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 1g9b_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 0.000 177.304 177.300 0.007 0.000 1.155 1 P CA 0.000 63.104 63.100 0.007 0.000 0.800 1 P CB 0.000 31.703 31.700 0.004 0.000 0.726 2 V N 0.259 120.181 119.914 0.014 0.000 2.398 2 V HA 0.509 4.637 4.120 0.013 0.000 0.286 2 V C 0.178 176.280 176.094 0.015 0.000 1.026 2 V CA -0.124 62.186 62.300 0.018 0.000 0.868 2 V CB 1.651 33.496 31.823 0.036 0.000 0.982 2 V HN 0.693 nan 8.190 nan 0.000 0.443 3 T N 6.378 120.933 114.554 0.003 0.000 2.749 3 T HA 0.513 4.871 4.350 0.013 0.000 0.287 3 T C -0.194 174.495 174.700 -0.018 0.000 0.970 3 T CA -0.232 61.863 62.100 -0.009 0.000 0.980 3 T CB 0.562 69.419 68.868 -0.018 0.000 0.924 3 T HN 0.289 nan 8.240 nan 0.000 0.456 4 I N 4.566 125.120 120.570 -0.026 0.000 2.307 4 I HA 0.267 4.445 4.170 0.013 0.000 0.289 4 I C 0.496 176.543 176.117 -0.116 0.000 1.021 4 I CA -0.929 60.334 61.300 -0.063 0.000 1.224 4 I CB 0.456 38.436 38.000 -0.034 0.000 1.376 4 I HN 0.518 nan 8.210 nan 0.000 0.470 5 N N 5.922 124.545 118.700 -0.128 0.000 2.415 5 N HA 0.189 4.937 4.740 0.013 0.000 0.248 5 N C -0.125 175.138 175.510 -0.411 0.000 1.271 5 N CA -0.000 52.969 53.050 -0.134 0.000 0.913 5 N CB 0.874 39.390 38.487 0.047 0.000 1.129 5 N HN 0.470 nan 8.380 nan 0.000 0.444 6 N N 0.509 118.992 118.700 -0.362 0.000 2.319 6 N HA 0.604 5.352 4.740 0.013 0.000 0.305 6 N C -0.848 174.422 175.510 -0.400 0.000 1.103 6 N CA -0.240 52.492 53.050 -0.529 0.000 0.815 6 N CB 1.621 39.971 38.487 -0.229 0.000 1.288 6 N HN 0.417 nan 8.380 nan 0.000 0.493 7 F N -1.684 118.280 119.950 0.022 0.000 2.829 7 F HA 0.429 4.964 4.527 0.013 0.000 0.319 7 F C -1.397 174.426 175.800 0.038 0.000 1.153 7 F CA -1.261 56.778 58.000 0.066 0.000 0.912 7 F CB 0.714 39.814 39.000 0.168 0.000 1.292 7 F HN 0.130 nan 8.300 nan 0.000 0.447 8 N N 0.325 119.249 118.700 0.372 0.000 2.335 8 N HA 0.189 4.938 4.740 0.013 0.000 0.304 8 N C -0.079 175.597 175.510 0.277 0.000 1.135 8 N CA -0.640 52.558 53.050 0.248 0.000 0.817 8 N CB 1.855 40.444 38.487 0.170 0.000 1.294 8 N HN 0.869 nan 8.380 nan 0.000 0.497 9 Y N 1.894 122.246 120.300 0.086 0.000 2.207 9 Y HA -0.109 4.449 4.550 0.013 0.000 0.287 9 Y C 1.328 177.387 175.900 0.264 0.000 1.156 9 Y CA 1.798 59.967 58.100 0.116 0.000 1.182 9 Y CB 0.022 38.508 38.460 0.043 0.000 0.979 9 Y HN 0.492 nan 8.280 nan 0.000 0.521 10 N N 0.563 119.356 118.700 0.154 0.000 2.461 10 N HA -0.056 4.692 4.740 0.013 0.000 0.188 10 N C -0.476 175.059 175.510 0.041 0.000 1.134 10 N CA 0.480 53.568 53.050 0.062 0.000 0.878 10 N CB -0.367 38.185 38.487 0.108 0.000 0.972 10 N HN 0.341 nan 8.380 nan 0.000 0.456 11 D N 1.868 122.326 120.400 0.096 0.000 2.449 11 D HA 0.093 4.741 4.640 0.013 0.000 0.236 11 D C -2.071 174.229 176.300 -0.001 0.000 1.149 11 D CA -0.785 53.263 54.000 0.080 0.000 0.878 11 D CB 0.307 41.200 40.800 0.155 0.000 1.198 11 D HN 0.065 nan 8.370 nan 0.000 0.446 12 P HA 0.099 nan 4.420 nan 0.000 0.269 12 P C -0.025 177.224 177.300 -0.086 0.000 1.209 12 P CA -0.130 62.940 63.100 -0.049 0.000 0.776 12 P CB 0.537 32.221 31.700 -0.026 0.000 0.876 13 I N 2.859 123.361 120.570 -0.114 0.000 2.533 13 I HA -0.012 4.166 4.170 0.013 0.000 0.284 13 I C 0.930 176.993 176.117 -0.090 0.000 1.109 13 I CA 0.669 61.885 61.300 -0.139 0.000 1.412 13 I CB 0.483 38.396 38.000 -0.145 0.000 1.396 13 I HN 0.480 nan 8.210 nan 0.000 0.543 14 D N 3.958 124.312 120.400 -0.077 0.000 2.469 14 D HA 0.011 4.659 4.640 0.013 0.000 0.213 14 D C 0.428 176.708 176.300 -0.032 0.000 1.135 14 D CA -0.258 53.717 54.000 -0.042 0.000 0.834 14 D CB 0.055 40.842 40.800 -0.021 0.000 1.009 14 D HN 0.473 nan 8.370 nan 0.000 0.507 15 N N 0.074 118.748 118.700 -0.045 0.000 2.778 15 N HA -0.244 4.504 4.740 0.013 0.000 0.249 15 N C 0.225 175.746 175.510 0.018 0.000 1.069 15 N CA 1.213 54.245 53.050 -0.031 0.000 0.831 15 N CB -1.597 36.868 38.487 -0.038 0.000 1.142 15 N HN 0.617 nan 8.380 nan 0.000 0.573 16 N N -0.250 118.477 118.700 0.044 0.000 3.170 16 N HA 0.121 4.869 4.740 0.013 0.000 0.235 16 N C 0.473 176.072 175.510 0.148 0.000 1.037 16 N CA 0.098 53.199 53.050 0.085 0.000 1.160 16 N CB 0.187 38.700 38.487 0.043 0.000 1.606 16 N HN 0.024 nan 8.380 nan 0.000 0.580 17 N N 0.015 118.754 118.700 0.065 0.000 2.282 17 N HA 0.360 5.108 4.740 0.013 0.000 0.185 17 N C -0.660 174.838 175.510 -0.021 0.000 1.099 17 N CA 0.265 53.313 53.050 -0.003 0.000 0.878 17 N CB 1.311 39.789 38.487 -0.016 0.000 0.993 17 N HN 0.262 nan 8.380 nan 0.000 0.481 18 I N 2.044 122.589 120.570 -0.042 0.000 2.468 18 I HA 0.385 4.563 4.170 0.013 0.000 0.284 18 I C -0.630 175.383 176.117 -0.174 0.000 1.038 18 I CA -0.738 60.412 61.300 -0.249 0.000 1.083 18 I CB 1.329 39.123 38.000 -0.343 0.000 1.223 18 I HN -0.088 nan 8.210 nan 0.000 0.443 19 I N 2.120 122.581 120.570 -0.182 0.000 3.457 19 I HA 0.645 4.823 4.170 0.013 0.000 0.307 19 I C -1.139 174.858 176.117 -0.200 0.000 1.138 19 I CA -1.127 60.069 61.300 -0.173 0.000 0.974 19 I CB 2.329 40.222 38.000 -0.179 0.000 1.324 19 I HN 0.241 nan 8.210 nan 0.000 0.485 20 M N 3.221 122.736 119.600 -0.142 0.000 2.023 20 M HA 0.452 4.940 4.480 0.013 0.000 0.325 20 M C -0.742 175.610 176.300 0.087 0.000 0.963 20 M CA -0.360 54.910 55.300 -0.050 0.000 0.928 20 M CB 1.046 33.563 32.600 -0.138 0.000 1.429 20 M HN 0.707 nan 8.290 nan 0.000 0.404 21 M N 2.099 121.765 119.600 0.110 0.000 2.409 21 M HA 0.328 4.816 4.480 0.013 0.000 0.329 21 M C -0.304 176.102 176.300 0.176 0.000 1.180 21 M CA -0.135 55.210 55.300 0.075 0.000 1.053 21 M CB 1.433 33.921 32.600 -0.188 0.000 1.586 21 M HN 0.654 nan 8.290 nan 0.000 0.461 22 E N 4.942 125.126 120.200 -0.028 0.000 2.121 22 E HA 0.410 4.768 4.350 0.013 0.000 0.255 22 E C -2.446 174.071 176.600 -0.138 0.000 0.906 22 E CA -2.166 54.050 56.400 -0.306 0.000 0.745 22 E CB 0.863 30.279 29.700 -0.474 0.000 1.155 22 E HN 0.348 nan 8.360 nan 0.000 0.424 23 P HA -0.039 nan 4.420 nan 0.000 0.265 23 P C -2.229 174.932 177.300 -0.232 0.000 1.187 23 P CA -0.833 62.166 63.100 -0.169 0.000 0.766 23 P CB 0.405 31.986 31.700 -0.199 0.000 0.820 24 P HA -0.167 nan 4.420 nan 0.000 0.216 24 P C 0.910 178.119 177.300 -0.151 0.000 1.153 24 P CA 1.610 64.559 63.100 -0.250 0.000 0.858 24 P CB -0.274 31.179 31.700 -0.412 0.000 0.789 25 F N -1.581 118.103 119.950 -0.443 0.000 2.802 25 F HA 0.115 4.650 4.527 0.013 0.000 0.300 25 F C 2.019 177.698 175.800 -0.202 0.000 1.168 25 F CA -0.224 57.528 58.000 -0.415 0.000 1.433 25 F CB -0.152 38.432 39.000 -0.693 0.000 1.115 25 F HN -0.062 nan 8.300 nan 0.000 0.582 26 A N 0.381 123.205 122.820 0.006 0.000 2.208 26 A HA 0.026 4.355 4.320 0.013 0.000 0.209 26 A C 1.397 178.978 177.584 -0.005 0.000 1.161 26 A CA -0.003 52.102 52.037 0.114 0.000 0.782 26 A CB -0.382 18.665 19.000 0.079 0.000 0.816 26 A HN 0.440 nan 8.150 nan 0.000 0.477 27 R N -2.300 118.203 120.500 0.003 0.000 3.741 27 R HA -0.223 4.125 4.340 0.013 0.000 0.292 27 R C 0.953 177.034 176.300 -0.366 0.000 1.176 27 R CA 0.492 56.573 56.100 -0.031 0.000 0.794 27 R CB -2.509 27.784 30.300 -0.011 0.000 1.213 27 R HN 1.528 nan 8.270 nan 0.000 0.494 28 G N -0.422 108.024 108.800 -0.590 0.000 2.179 28 G HA2 -0.381 3.587 3.960 0.013 0.000 0.257 28 G HA3 -0.381 3.587 3.960 0.013 0.000 0.257 28 G C 0.171 174.667 174.900 -0.674 0.000 1.010 28 G CA 0.958 45.305 45.100 -1.256 0.000 0.736 28 G HN 0.830 nan 8.290 nan 0.000 0.513 29 T N -3.419 110.920 114.554 -0.358 0.000 2.887 29 T HA 0.958 5.316 4.350 0.013 0.000 0.292 29 T C 0.891 175.523 174.700 -0.113 0.000 1.087 29 T CA 0.506 62.486 62.100 -0.199 0.000 1.009 29 T CB 2.220 71.006 68.868 -0.136 0.000 1.203 29 T HN 2.288 nan 8.240 nan 0.000 0.518 30 G N 1.149 109.915 108.800 -0.055 0.000 2.741 30 G HA2 0.059 4.027 3.960 0.013 0.000 0.222 30 G HA3 0.059 4.027 3.960 0.013 0.000 0.222 30 G C -0.454 174.447 174.900 0.001 0.000 1.364 30 G CA 0.021 45.112 45.100 -0.015 0.000 0.866 30 G HN 0.988 nan 8.290 nan 0.000 0.555 31 R N -0.946 119.562 120.500 0.013 0.000 2.583 31 R HA 0.678 5.026 4.340 0.013 0.000 0.268 31 R C -0.096 176.245 176.300 0.067 0.000 1.101 31 R CA -0.524 55.614 56.100 0.062 0.000 1.180 31 R CB -0.178 30.099 30.300 -0.038 0.000 1.128 31 R HN 0.530 nan 8.270 nan 0.000 0.568 32 Y N 0.286 120.570 120.300 -0.026 0.000 2.458 32 Y HA 0.358 4.916 4.550 0.014 0.000 0.322 32 Y C -0.511 175.390 175.900 0.001 0.000 1.259 32 Y CA -0.082 58.073 58.100 0.093 0.000 1.302 32 Y CB 0.792 39.272 38.460 0.034 0.000 1.314 32 Y HN 0.379 nan 8.280 nan 0.000 0.509 33 Y N -0.016 120.397 120.300 0.188 0.000 2.376 33 Y HA 0.329 4.887 4.550 0.013 0.000 0.340 33 Y C -0.010 175.932 175.900 0.070 0.000 0.965 33 Y CA -1.783 56.403 58.100 0.144 0.000 1.078 33 Y CB 1.441 40.010 38.460 0.182 0.000 1.193 33 Y HN 0.343 nan 8.280 nan 0.000 0.452 34 K N 2.393 122.898 120.400 0.176 0.000 2.412 34 K HA 0.576 4.904 4.320 0.013 0.000 0.284 34 K C -0.695 175.915 176.600 0.017 0.000 1.046 34 K CA 0.054 56.331 56.287 -0.016 0.000 0.999 34 K CB 0.149 32.609 32.500 -0.066 0.000 0.941 34 K HN 0.830 nan 8.250 nan 0.000 0.474 35 A N 4.419 127.121 122.820 -0.197 0.000 2.401 35 A HA 0.699 5.027 4.320 0.013 0.000 0.310 35 A C -1.512 175.966 177.584 -0.176 0.000 1.075 35 A CA -0.780 51.259 52.037 0.003 0.000 0.746 35 A CB 0.665 19.674 19.000 0.015 0.000 1.277 35 A HN 0.581 nan 8.150 nan 0.000 0.425 36 F N 0.894 120.907 119.950 0.105 0.000 2.493 36 F HA 0.449 4.984 4.527 0.013 0.000 0.329 36 F C 0.510 176.126 175.800 -0.308 0.000 1.126 36 F CA -0.785 57.024 58.000 -0.318 0.000 0.937 36 F CB 2.118 40.477 39.000 -1.068 0.000 1.146 36 F HN 0.571 nan 8.300 nan 0.000 0.442 37 K N 4.450 124.545 120.400 -0.507 0.000 2.228 37 K HA 0.214 4.542 4.320 0.013 0.000 0.284 37 K C 1.012 177.473 176.600 -0.232 0.000 1.088 37 K CA 0.036 55.779 56.287 -0.907 0.000 0.941 37 K CB 0.222 32.000 32.500 -1.204 0.000 1.158 37 K HN 0.941 nan 8.250 nan 0.000 0.438 38 I N 3.011 123.485 120.570 -0.161 0.000 2.439 38 I HA -0.148 4.030 4.170 0.013 0.000 0.251 38 I C 0.440 176.443 176.117 -0.190 0.000 1.139 38 I CA 1.147 62.397 61.300 -0.084 0.000 1.438 38 I CB 0.315 38.086 38.000 -0.382 0.000 1.085 38 I HN 0.797 nan 8.210 nan 0.000 0.427 39 T N -3.299 111.114 114.554 -0.235 0.000 2.739 39 T HA 0.223 4.581 4.350 0.013 0.000 0.303 39 T C -0.965 173.617 174.700 -0.195 0.000 1.389 39 T CA -0.981 61.028 62.100 -0.152 0.000 1.001 39 T CB 1.160 69.996 68.868 -0.054 0.000 1.436 39 T HN -0.122 nan 8.240 nan 0.000 0.500 40 D N 1.627 121.955 120.400 -0.120 0.000 2.525 40 D HA 0.167 4.815 4.640 0.013 0.000 0.235 40 D C 0.936 177.189 176.300 -0.079 0.000 1.137 40 D CA 0.520 54.458 54.000 -0.103 0.000 0.868 40 D CB 0.317 41.087 40.800 -0.050 0.000 1.180 40 D HN 0.622 nan 8.370 nan 0.000 0.465 41 R N 0.450 120.922 120.500 -0.046 0.000 4.010 41 R HA -0.210 4.138 4.340 0.013 0.000 0.409 41 R C -0.213 176.125 176.300 0.064 0.000 1.120 41 R CA 0.771 56.915 56.100 0.073 0.000 1.244 41 R CB -2.088 28.260 30.300 0.080 0.000 1.799 41 R HN 0.565 nan 8.270 nan 0.000 0.559 42 I N 0.068 120.560 120.570 -0.130 0.000 2.418 42 I HA 0.335 4.513 4.170 0.013 0.000 0.287 42 I C -0.281 175.664 176.117 -0.286 0.000 1.008 42 I CA -0.657 60.607 61.300 -0.060 0.000 1.104 42 I CB 1.284 39.293 38.000 0.015 0.000 1.264 42 I HN -0.127 nan 8.210 nan 0.000 0.438 43 W N 6.636 127.948 121.300 0.020 0.000 2.666 43 W HA 0.601 5.268 4.660 0.013 0.000 0.334 43 W C -0.623 175.906 176.519 0.017 0.000 1.051 43 W CA -0.575 56.773 57.345 0.005 0.000 1.224 43 W CB 1.404 30.849 29.460 -0.026 0.000 1.405 43 W HN 0.054 nan 8.180 nan 0.000 0.513 44 I N 4.314 125.060 120.570 0.293 0.000 2.378 44 I HA 0.395 4.573 4.170 0.013 0.000 0.291 44 I C -0.418 175.890 176.117 0.318 0.000 0.992 44 I CA -1.255 60.209 61.300 0.274 0.000 1.154 44 I CB 1.219 39.380 38.000 0.268 0.000 1.315 44 I HN 0.368 nan 8.210 nan 0.000 0.448 45 I N 8.011 128.678 120.570 0.162 0.000 2.437 45 I HA 0.217 4.395 4.170 0.013 0.000 0.279 45 I C -2.041 174.180 176.117 0.173 0.000 1.028 45 I CA -1.570 59.805 61.300 0.124 0.000 1.142 45 I CB 2.122 39.925 38.000 -0.329 0.000 1.266 45 I HN 0.258 nan 8.210 nan 0.000 0.461 46 P HA 0.151 nan 4.420 nan 0.000 0.235 46 P C -0.591 176.609 177.300 -0.167 0.000 1.765 46 P CA 0.420 63.464 63.100 -0.094 0.000 1.034 46 P CB 0.030 31.749 31.700 0.032 0.000 1.984 47 E N 0.767 120.937 120.200 -0.050 0.000 2.413 47 E HA 0.357 4.715 4.350 0.013 0.000 0.277 47 E C -0.248 176.440 176.600 0.148 0.000 0.958 47 E CA -1.161 55.274 56.400 0.058 0.000 0.779 47 E CB 1.619 31.486 29.700 0.278 0.000 1.278 47 E HN 0.087 nan 8.360 nan 0.000 0.456 48 R N 0.945 121.505 120.500 0.100 0.000 2.679 48 R HA 0.066 4.414 4.340 0.013 0.000 0.268 48 R C -0.523 175.920 176.300 0.239 0.000 1.044 48 R CA 0.099 56.299 56.100 0.168 0.000 1.105 48 R CB -0.124 30.198 30.300 0.037 0.000 0.989 48 R HN 0.523 nan 8.270 nan 0.000 0.447 49 Y N 1.494 121.888 120.300 0.156 0.000 2.404 49 Y HA 0.021 4.579 4.550 0.014 0.000 0.344 49 Y C 1.110 177.080 175.900 0.116 0.000 0.995 49 Y CA 0.352 58.481 58.100 0.049 0.000 1.201 49 Y CB 0.768 39.278 38.460 0.083 0.000 1.151 49 Y HN 0.677 nan 8.280 nan 0.000 0.517 50 T N 1.619 115.971 114.554 -0.336 0.000 3.003 50 T HA 0.225 4.583 4.350 0.013 0.000 0.261 50 T C -0.028 174.585 174.700 -0.145 0.000 1.003 50 T CA -0.276 61.782 62.100 -0.070 0.000 0.917 50 T CB -0.572 68.166 68.868 -0.216 0.000 1.084 50 T HN 0.331 nan 8.240 nan 0.000 0.522 51 F N 2.883 122.702 119.950 -0.219 0.000 2.538 51 F HA 0.466 5.001 4.527 0.013 0.000 0.382 51 F C 1.772 177.607 175.800 0.059 0.000 1.069 51 F CA 0.868 58.786 58.000 -0.135 0.000 1.138 51 F CB -0.208 38.630 39.000 -0.270 0.000 1.068 51 F HN 0.361 nan 8.300 nan 0.000 0.556 52 G N 2.096 110.956 108.800 0.101 0.000 2.175 52 G HA2 -0.292 3.676 3.960 0.013 0.000 0.244 52 G HA3 -0.292 3.676 3.960 0.013 0.000 0.244 52 G C -0.427 174.440 174.900 -0.056 0.000 0.982 52 G CA -0.603 44.452 45.100 -0.075 0.000 0.641 52 G HN 0.565 nan 8.290 nan 0.000 0.527 53 Y N 0.667 121.110 120.300 0.239 0.000 2.446 53 Y HA 0.622 5.179 4.550 0.013 0.000 0.338 53 Y C 0.792 176.836 175.900 0.239 0.000 1.055 53 Y CA -0.950 57.297 58.100 0.245 0.000 1.101 53 Y CB 1.326 39.881 38.460 0.158 0.000 1.221 53 Y HN -0.045 nan 8.280 nan 0.000 0.460 54 K N 3.773 124.419 120.400 0.411 0.000 2.249 54 K HA 0.176 4.504 4.320 0.013 0.000 0.280 54 K C -1.995 174.827 176.600 0.370 0.000 1.033 54 K CA -1.512 54.951 56.287 0.293 0.000 0.946 54 K CB 0.887 33.514 32.500 0.212 0.000 1.005 54 K HN 0.332 nan 8.250 nan 0.000 0.469 55 P HA -0.279 nan 4.420 nan 0.000 0.216 55 P C 0.988 178.461 177.300 0.287 0.000 1.157 55 P CA 1.383 64.630 63.100 0.246 0.000 0.880 55 P CB 0.174 31.928 31.700 0.090 0.000 0.791 56 E N -0.613 119.701 120.200 0.189 0.000 2.338 56 E HA -0.191 4.168 4.350 0.013 0.000 0.197 56 E C 0.865 177.557 176.600 0.154 0.000 1.007 56 E CA 1.177 57.659 56.400 0.137 0.000 0.849 56 E CB -1.060 28.683 29.700 0.071 0.000 0.774 56 E HN 0.248 nan 8.360 nan 0.000 0.506 57 D N 0.201 120.737 120.400 0.226 0.000 2.348 57 D HA -0.032 4.616 4.640 0.013 0.000 0.216 57 D C 0.973 177.373 176.300 0.168 0.000 0.970 57 D CA 0.392 54.502 54.000 0.184 0.000 0.889 57 D CB -0.371 40.631 40.800 0.336 0.000 0.912 57 D HN 0.211 nan 8.370 nan 0.000 0.524 58 F N 0.720 120.761 119.950 0.152 0.000 2.604 58 F HA 0.022 4.557 4.527 0.014 0.000 0.298 58 F C 1.047 176.927 175.800 0.133 0.000 1.131 58 F CA 0.329 58.415 58.000 0.143 0.000 1.457 58 F CB -0.036 38.988 39.000 0.040 0.000 1.095 58 F HN -0.196 nan 8.300 nan 0.000 0.574 59 N N 0.951 119.735 118.700 0.140 0.000 2.487 59 N HA 0.057 4.805 4.740 0.013 0.000 0.292 59 N C -0.093 175.224 175.510 -0.321 0.000 1.108 59 N CA -0.491 52.547 53.050 -0.019 0.000 0.956 59 N CB 0.995 39.471 38.487 -0.019 0.000 1.176 59 N HN -0.149 nan 8.380 nan 0.000 0.484 60 K N 1.321 121.495 120.400 -0.376 0.000 2.451 60 K HA 0.070 4.398 4.320 0.013 0.000 0.280 60 K C 0.002 176.361 176.600 -0.402 0.000 1.020 60 K CA 0.300 56.194 56.287 -0.655 0.000 1.008 60 K CB 0.195 32.564 32.500 -0.220 0.000 0.917 60 K HN 0.822 nan 8.250 nan 0.000 0.478 61 S N 0.973 116.405 115.700 -0.446 0.000 2.900 61 S HA 0.243 4.721 4.470 0.013 0.000 0.320 61 S C 0.554 175.043 174.600 -0.185 0.000 1.130 61 S CA -0.151 57.900 58.200 -0.248 0.000 0.863 61 S CB 0.783 63.845 63.200 -0.231 0.000 1.295 61 S HN 0.493 nan 8.310 nan 0.000 0.596 62 S N -0.686 114.938 115.700 -0.127 0.000 2.671 62 S HA 0.422 4.900 4.470 0.013 0.000 0.220 62 S C 0.728 175.280 174.600 -0.079 0.000 0.951 62 S CA -0.095 58.055 58.200 -0.083 0.000 0.932 62 S CB -0.991 62.174 63.200 -0.059 0.000 0.777 62 S HN 1.152 nan 8.310 nan 0.000 0.508 63 G N 0.988 109.710 108.800 -0.130 0.000 2.644 63 G HA2 0.721 4.689 3.960 0.013 0.000 0.307 63 G HA3 0.721 4.689 3.960 0.013 0.000 0.307 63 G C -0.988 173.835 174.900 -0.128 0.000 1.250 63 G CA -1.060 43.963 45.100 -0.129 0.000 0.996 63 G HN 0.554 nan 8.290 nan 0.000 0.489 64 I N -4.046 116.458 120.570 -0.111 0.000 2.894 64 I HA 0.613 4.791 4.170 0.013 0.000 0.302 64 I C -0.440 175.614 176.117 -0.105 0.000 1.188 64 I CA -1.088 60.199 61.300 -0.021 0.000 1.014 64 I CB 1.721 39.777 38.000 0.093 0.000 1.242 64 I HN 0.413 nan 8.210 nan 0.000 0.430 65 F N 0.461 120.464 119.950 0.089 0.000 2.317 65 F HA 0.264 4.799 4.527 0.013 0.000 0.290 65 F C 1.156 176.956 175.800 0.001 0.000 1.075 65 F CA 0.627 58.658 58.000 0.052 0.000 1.380 65 F CB 0.339 39.372 39.000 0.055 0.000 1.093 65 F HN 0.596 nan 8.300 nan 0.000 0.524 66 N N 0.255 119.063 118.700 0.179 0.000 2.342 66 N HA 0.189 4.937 4.740 0.013 0.000 0.293 66 N C 0.351 175.866 175.510 0.009 0.000 1.026 66 N CA -0.241 52.847 53.050 0.064 0.000 0.857 66 N CB 1.484 40.001 38.487 0.049 0.000 1.256 66 N HN 0.068 nan 8.380 nan 0.000 0.484 67 R N 1.203 121.651 120.500 -0.086 0.000 2.280 67 R HA 0.057 4.405 4.340 0.013 0.000 0.207 67 R C -0.117 176.223 176.300 0.066 0.000 1.043 67 R CA 0.830 56.843 56.100 -0.144 0.000 1.006 67 R CB 0.350 30.402 30.300 -0.415 0.000 0.885 67 R HN 0.536 nan 8.270 nan 0.000 0.467 68 D N 0.194 120.619 120.400 0.041 0.000 2.593 68 D HA 0.138 4.786 4.640 0.013 0.000 0.241 68 D C -0.954 175.353 176.300 0.013 0.000 1.257 68 D CA 0.217 54.242 54.000 0.043 0.000 0.828 68 D CB 1.105 41.908 40.800 0.004 0.000 1.049 68 D HN -0.119 nan 8.370 nan 0.000 0.490 69 V N 0.958 120.895 119.914 0.038 0.000 2.808 69 V HA 0.123 4.251 4.120 0.013 0.000 0.308 69 V C -0.085 176.044 176.094 0.058 0.000 1.099 69 V CA -1.031 61.283 62.300 0.023 0.000 0.920 69 V CB 2.470 34.293 31.823 -0.000 0.000 1.014 69 V HN 0.181 nan 8.190 nan 0.000 0.425 70 C N 5.068 124.400 119.300 0.053 0.000 2.311 70 C HA 0.330 4.798 4.460 0.013 0.000 0.357 70 C C 0.721 175.760 174.990 0.081 0.000 1.086 70 C CA -0.489 58.575 59.018 0.078 0.000 1.486 70 C CB -1.610 26.171 27.740 0.068 0.000 1.974 70 C HN 0.895 nan 8.230 nan 0.000 0.508 71 E N 4.402 124.662 120.200 0.101 0.000 2.257 71 E HA 0.098 4.456 4.350 0.013 0.000 0.278 71 E C -0.939 175.711 176.600 0.083 0.000 1.049 71 E CA 0.035 56.460 56.400 0.042 0.000 0.876 71 E CB 0.800 30.534 29.700 0.056 0.000 1.035 71 E HN 0.736 nan 8.360 nan 0.000 0.419 72 Y N 3.835 124.025 120.300 -0.184 0.000 2.320 72 Y HA 0.243 4.801 4.550 0.013 0.000 0.334 72 Y C -1.340 174.340 175.900 -0.367 0.000 1.055 72 Y CA -0.903 57.107 58.100 -0.149 0.000 1.143 72 Y CB 0.474 38.835 38.460 -0.164 0.000 1.193 72 Y HN 0.376 nan 8.280 nan 0.000 0.477 73 Y N 3.677 123.523 120.300 -0.757 0.000 2.446 73 Y HA 0.454 5.012 4.550 0.013 0.000 0.338 73 Y C -0.473 174.832 175.900 -0.992 0.000 1.055 73 Y CA -0.932 56.774 58.100 -0.657 0.000 1.101 73 Y CB 1.807 40.084 38.460 -0.305 0.000 1.221 73 Y HN 0.585 nan 8.280 nan 0.000 0.460 74 D N 2.891 122.998 120.400 -0.488 0.000 2.684 74 D HA 0.126 4.774 4.640 0.013 0.000 0.233 74 D C -2.353 173.886 176.300 -0.101 0.000 1.374 74 D CA -1.288 52.473 54.000 -0.399 0.000 0.906 74 D CB 1.045 41.540 40.800 -0.509 0.000 1.526 74 D HN 0.180 nan 8.370 nan 0.000 0.518 75 P HA -0.065 nan 4.420 nan 0.000 0.223 75 P C 0.422 177.734 177.300 0.019 0.000 1.144 75 P CA 0.700 63.840 63.100 0.066 0.000 0.783 75 P CB 0.563 32.303 31.700 0.067 0.000 0.771 76 D N -1.739 118.670 120.400 0.016 0.000 2.333 76 D HA -0.050 4.598 4.640 0.013 0.000 0.208 76 D C 0.667 177.005 176.300 0.063 0.000 0.984 76 D CA 0.027 54.040 54.000 0.021 0.000 0.873 76 D CB -0.662 40.150 40.800 0.020 0.000 0.935 76 D HN 0.204 nan 8.370 nan 0.000 0.521 77 Y N 1.806 122.090 120.300 -0.028 0.000 2.717 77 Y HA -0.057 4.502 4.550 0.014 0.000 0.330 77 Y C 1.254 177.140 175.900 -0.023 0.000 1.217 77 Y CA 0.189 58.294 58.100 0.008 0.000 1.506 77 Y CB 0.142 38.609 38.460 0.013 0.000 1.268 77 Y HN -0.030 nan 8.280 nan 0.000 0.561 78 L N 3.512 124.442 121.223 -0.488 0.000 4.291 78 L HA -0.392 3.956 4.340 0.013 0.000 0.413 78 L C 0.902 177.635 176.870 -0.229 0.000 1.162 78 L CA 0.852 55.441 54.840 -0.418 0.000 0.961 78 L CB -1.484 40.315 42.059 -0.434 0.000 2.095 78 L HN 0.814 nan 8.230 nan 0.000 0.838 79 N N -0.117 118.491 118.700 -0.152 0.000 2.398 79 N HA 0.013 4.761 4.740 0.013 0.000 0.188 79 N C 0.433 175.884 175.510 -0.099 0.000 1.122 79 N CA 0.805 53.789 53.050 -0.110 0.000 0.866 79 N CB 0.151 38.595 38.487 -0.071 0.000 0.970 79 N HN 0.584 nan 8.380 nan 0.000 0.462 80 T N -3.977 110.504 114.554 -0.121 0.000 2.896 80 T HA 0.390 4.748 4.350 0.013 0.000 0.297 80 T C 0.424 175.036 174.700 -0.146 0.000 1.108 80 T CA -0.753 61.290 62.100 -0.095 0.000 1.004 80 T CB 1.417 70.250 68.868 -0.058 0.000 1.159 80 T HN -0.246 nan 8.240 nan 0.000 0.499 81 N N 0.684 119.326 118.700 -0.098 0.000 2.166 81 N HA -0.066 4.682 4.740 0.013 0.000 0.186 81 N C 1.373 176.805 175.510 -0.129 0.000 1.019 81 N CA 1.547 54.519 53.050 -0.130 0.000 0.856 81 N CB -0.418 38.124 38.487 0.092 0.000 0.993 81 N HN 0.874 nan 8.380 nan 0.000 0.426 82 D N 0.216 120.584 120.400 -0.053 0.000 2.144 82 D HA -0.069 4.579 4.640 0.013 0.000 0.199 82 D C 1.531 177.792 176.300 -0.065 0.000 0.984 82 D CA 1.105 55.088 54.000 -0.028 0.000 0.834 82 D CB 0.195 40.993 40.800 -0.004 0.000 0.955 82 D HN 0.172 nan 8.370 nan 0.000 0.465 83 K N -0.062 120.271 120.400 -0.111 0.000 2.057 83 K HA -0.083 4.245 4.320 0.013 0.000 0.206 83 K C 2.151 178.645 176.600 -0.177 0.000 1.050 83 K CA 0.884 57.087 56.287 -0.140 0.000 0.935 83 K CB 0.059 32.443 32.500 -0.192 0.000 0.715 83 K HN 0.105 nan 8.250 nan 0.000 0.439 84 K N 0.802 121.027 120.400 -0.292 0.000 2.057 84 K HA -0.142 4.186 4.320 0.013 0.000 0.207 84 K C 1.957 178.441 176.600 -0.193 0.000 1.049 84 K CA 1.187 57.236 56.287 -0.397 0.000 0.931 84 K CB -0.166 31.761 32.500 -0.955 0.000 0.714 84 K HN 0.226 nan 8.250 nan 0.000 0.440 85 N N 1.132 119.755 118.700 -0.129 0.000 2.188 85 N HA -0.124 4.624 4.740 0.013 0.000 0.184 85 N C 1.800 177.339 175.510 0.048 0.000 1.018 85 N CA 0.741 53.810 53.050 0.032 0.000 0.858 85 N CB 0.091 38.629 38.487 0.084 0.000 0.989 85 N HN 0.130 nan 8.380 nan 0.000 0.426 86 I N 0.193 120.784 120.570 0.036 0.000 2.315 86 I HA -0.242 3.936 4.170 0.013 0.000 0.248 86 I C 2.099 178.274 176.117 0.096 0.000 1.117 86 I CA 0.812 62.144 61.300 0.052 0.000 1.404 86 I CB -0.372 37.651 38.000 0.040 0.000 1.071 86 I HN 0.113 nan 8.210 nan 0.000 0.419 87 F N 1.644 121.571 119.950 -0.037 0.000 2.095 87 F HA -0.240 4.295 4.527 0.013 0.000 0.298 87 F C 2.286 178.117 175.800 0.050 0.000 1.104 87 F CA 1.720 59.734 58.000 0.022 0.000 1.232 87 F CB -0.234 38.758 39.000 -0.013 0.000 0.987 87 F HN -0.125 nan 8.300 nan 0.000 0.475 88 L N -0.193 121.152 121.223 0.203 0.000 1.989 88 L HA -0.280 4.068 4.340 0.013 0.000 0.211 88 L C 2.643 179.518 176.870 0.008 0.000 1.071 88 L CA 1.317 56.222 54.840 0.109 0.000 0.749 88 L CB -0.897 41.203 42.059 0.069 0.000 0.890 88 L HN 0.192 nan 8.230 nan 0.000 0.431 89 Q N -0.634 119.165 119.800 -0.002 0.000 2.170 89 Q HA -0.147 4.201 4.340 0.013 0.000 0.203 89 Q C 2.179 178.156 176.000 -0.039 0.000 0.976 89 Q CA 1.918 57.697 55.803 -0.039 0.000 0.858 89 Q CB -0.842 27.888 28.738 -0.013 0.000 0.907 89 Q HN 0.518 nan 8.270 nan 0.000 0.433 90 T N 1.140 115.668 114.554 -0.043 0.000 2.777 90 T HA -0.056 4.302 4.350 0.013 0.000 0.266 90 T C 1.848 176.522 174.700 -0.043 0.000 1.040 90 T CA 0.938 63.009 62.100 -0.049 0.000 1.141 90 T CB -0.019 68.805 68.868 -0.073 0.000 0.868 90 T HN 0.105 nan 8.240 nan 0.000 0.444 91 M N 0.805 120.342 119.600 -0.104 0.000 2.117 91 M HA 0.068 4.556 4.480 0.013 0.000 0.262 91 M C 2.327 178.665 176.300 0.063 0.000 1.065 91 M CA 1.220 56.509 55.300 -0.019 0.000 1.114 91 M CB -1.274 31.271 32.600 -0.092 0.000 1.361 91 M HN 0.260 nan 8.290 nan 0.000 0.408 92 I N -0.110 120.429 120.570 -0.053 0.000 2.163 92 I HA -0.354 3.824 4.170 0.013 0.000 0.243 92 I C 2.588 178.721 176.117 0.027 0.000 1.085 92 I CA 1.421 62.668 61.300 -0.088 0.000 1.347 92 I CB -0.447 37.430 38.000 -0.205 0.000 1.044 92 I HN 0.339 nan 8.210 nan 0.000 0.408 93 K N 1.140 121.559 120.400 0.031 0.000 2.057 93 K HA -0.156 4.172 4.320 0.013 0.000 0.207 93 K C 2.152 178.827 176.600 0.126 0.000 1.049 93 K CA 1.238 57.567 56.287 0.070 0.000 0.931 93 K CB -0.023 32.521 32.500 0.073 0.000 0.714 93 K HN 0.263 nan 8.250 nan 0.000 0.440 94 L N -0.163 121.148 121.223 0.145 0.000 2.046 94 L HA -0.153 4.195 4.340 0.013 0.000 0.208 94 L C 2.240 179.171 176.870 0.101 0.000 1.077 94 L CA 1.057 55.978 54.840 0.135 0.000 0.747 94 L CB -0.438 41.685 42.059 0.106 0.000 0.896 94 L HN 0.135 nan 8.230 nan 0.000 0.432 95 F N 0.539 120.465 119.950 -0.039 0.000 2.171 95 F HA -0.183 4.352 4.527 0.014 0.000 0.300 95 F C 2.517 178.305 175.800 -0.020 0.000 1.090 95 F CA 1.162 59.135 58.000 -0.044 0.000 1.293 95 F CB -0.556 38.411 39.000 -0.055 0.000 1.013 95 F HN 0.151 nan 8.300 nan 0.000 0.486 96 N N 0.029 118.824 118.700 0.159 0.000 2.188 96 N HA -0.176 4.572 4.740 0.013 0.000 0.184 96 N C 2.076 177.628 175.510 0.070 0.000 1.018 96 N CA 0.969 54.071 53.050 0.087 0.000 0.858 96 N CB -0.369 38.149 38.487 0.053 0.000 0.989 96 N HN 0.264 nan 8.380 nan 0.000 0.426 97 R N 1.110 121.654 120.500 0.073 0.000 2.081 97 R HA 0.018 4.366 4.340 0.013 0.000 0.235 97 R C 2.260 178.634 176.300 0.123 0.000 1.131 97 R CA 0.917 57.063 56.100 0.077 0.000 0.960 97 R CB -0.249 30.096 30.300 0.075 0.000 0.856 97 R HN 0.129 nan 8.270 nan 0.000 0.436 98 I N 1.641 122.228 120.570 0.028 0.000 2.127 98 I HA -0.324 3.854 4.170 0.013 0.000 0.241 98 I C 2.168 178.350 176.117 0.109 0.000 1.075 98 I CA 1.961 63.245 61.300 -0.026 0.000 1.334 98 I CB -0.348 37.512 38.000 -0.233 0.000 1.040 98 I HN 0.305 nan 8.210 nan 0.000 0.405 99 K N 1.006 121.446 120.400 0.067 0.000 2.525 99 K HA -0.011 4.317 4.320 0.013 0.000 0.192 99 K C 1.801 178.447 176.600 0.076 0.000 1.029 99 K CA 1.117 57.450 56.287 0.075 0.000 1.029 99 K CB -0.250 32.284 32.500 0.056 0.000 0.814 99 K HN 0.298 nan 8.250 nan 0.000 0.503 100 S N 0.320 116.074 115.700 0.091 0.000 2.469 100 S HA -0.073 4.405 4.470 0.013 0.000 0.238 100 S C 0.322 174.908 174.600 -0.024 0.000 0.998 100 S CA 0.276 58.498 58.200 0.036 0.000 0.957 100 S CB -0.224 62.999 63.200 0.037 0.000 0.764 100 S HN 0.328 nan 8.310 nan 0.000 0.514 101 K N 0.554 120.944 120.400 -0.016 0.000 2.426 101 K HA 0.393 4.721 4.320 0.013 0.000 0.251 101 K C -2.487 174.106 176.600 -0.011 0.000 0.941 101 K CA -2.535 53.668 56.287 -0.141 0.000 0.808 101 K CB 1.911 34.072 32.500 -0.565 0.000 1.265 101 K HN -0.244 nan 8.250 nan 0.000 0.432 102 P HA -0.243 nan 4.420 nan 0.000 0.216 102 P C 1.277 178.624 177.300 0.079 0.000 1.157 102 P CA 0.973 64.085 63.100 0.019 0.000 0.880 102 P CB 0.213 31.909 31.700 -0.008 0.000 0.791 103 L N -0.420 120.858 121.223 0.092 0.000 2.013 103 L HA -0.117 4.231 4.340 0.013 0.000 0.212 103 L C 2.254 179.294 176.870 0.284 0.000 1.073 103 L CA 2.582 57.529 54.840 0.179 0.000 0.753 103 L CB -1.644 40.531 42.059 0.193 0.000 0.890 103 L HN -0.021 nan 8.230 nan 0.000 0.432 104 G N -1.625 107.368 108.800 0.322 0.000 2.394 104 G HA2 -0.275 3.693 3.960 0.013 0.000 0.215 104 G HA3 -0.275 3.693 3.960 0.013 0.000 0.215 104 G C 1.503 176.462 174.900 0.098 0.000 1.165 104 G CA 0.649 45.875 45.100 0.210 0.000 0.784 104 G HN 0.535 nan 8.290 nan 0.000 0.535 105 E N 0.384 120.648 120.200 0.106 0.000 2.110 105 E HA -0.115 4.243 4.350 0.013 0.000 0.193 105 E C 2.332 178.963 176.600 0.053 0.000 0.988 105 E CA 0.983 57.419 56.400 0.059 0.000 0.804 105 E CB -0.067 29.664 29.700 0.053 0.000 0.745 105 E HN 0.359 nan 8.360 nan 0.000 0.458 106 K N 0.084 120.545 120.400 0.101 0.000 2.148 106 K HA -0.138 4.190 4.320 0.013 0.000 0.204 106 K C 2.198 178.825 176.600 0.045 0.000 1.050 106 K CA 0.812 57.173 56.287 0.124 0.000 0.942 106 K CB -0.125 32.507 32.500 0.220 0.000 0.724 106 K HN 0.157 nan 8.250 nan 0.000 0.446 107 L N 1.457 122.674 121.223 -0.009 0.000 2.046 107 L HA -0.135 4.213 4.340 0.013 0.000 0.208 107 L C 1.823 178.524 176.870 -0.281 0.000 1.077 107 L CA 1.532 56.121 54.840 -0.418 0.000 0.747 107 L CB -0.381 41.470 42.059 -0.348 0.000 0.896 107 L HN 0.104 nan 8.230 nan 0.000 0.432 108 L N -0.659 120.478 121.223 -0.144 0.000 2.046 108 L HA -0.201 4.147 4.340 0.013 0.000 0.208 108 L C 2.556 179.397 176.870 -0.049 0.000 1.077 108 L CA 1.574 56.360 54.840 -0.090 0.000 0.747 108 L CB -0.584 41.452 42.059 -0.037 0.000 0.896 108 L HN 0.361 nan 8.230 nan 0.000 0.432 109 E N -0.455 119.726 120.200 -0.032 0.000 2.077 109 E HA -0.230 4.128 4.350 0.013 0.000 0.193 109 E C 2.293 178.883 176.600 -0.017 0.000 0.989 109 E CA 1.125 57.517 56.400 -0.012 0.000 0.800 109 E CB -0.053 29.651 29.700 0.007 0.000 0.746 109 E HN 0.370 nan 8.360 nan 0.000 0.452 110 M N 0.149 119.719 119.600 -0.050 0.000 2.175 110 M HA -0.107 4.381 4.480 0.013 0.000 0.264 110 M C 2.311 178.640 176.300 0.049 0.000 1.063 110 M CA 1.265 56.554 55.300 -0.017 0.000 1.119 110 M CB -0.560 31.930 32.600 -0.183 0.000 1.377 110 M HN 0.171 nan 8.290 nan 0.000 0.415 111 I N -0.151 120.400 120.570 -0.033 0.000 2.286 111 I HA -0.274 3.904 4.170 0.013 0.000 0.245 111 I C 2.307 178.433 176.117 0.015 0.000 1.104 111 I CA 1.021 62.323 61.300 0.003 0.000 1.397 111 I CB -0.218 37.754 38.000 -0.046 0.000 1.072 111 I HN 0.162 nan 8.210 nan 0.000 0.417 112 I N 0.815 121.388 120.570 0.004 0.000 2.226 112 I HA -0.294 3.884 4.170 0.013 0.000 0.245 112 I C 1.847 177.949 176.117 -0.025 0.000 1.100 112 I CA 1.360 62.660 61.300 0.001 0.000 1.374 112 I CB -0.400 37.599 38.000 -0.003 0.000 1.057 112 I HN 0.315 nan 8.210 nan 0.000 0.413 113 N N 0.759 119.440 118.700 -0.030 0.000 2.412 113 N HA 0.007 4.755 4.740 0.013 0.000 0.184 113 N C 1.260 176.697 175.510 -0.122 0.000 1.101 113 N CA 0.491 53.500 53.050 -0.069 0.000 0.881 113 N CB 0.217 38.676 38.487 -0.047 0.000 0.969 113 N HN 0.269 nan 8.380 nan 0.000 0.459 114 G N 2.075 110.803 108.800 -0.120 0.000 3.581 114 G HA2 0.235 4.203 3.960 0.013 0.000 0.255 114 G HA3 0.235 4.203 3.960 0.013 0.000 0.255 114 G C 0.629 175.370 174.900 -0.264 0.000 1.121 114 G CA -0.461 44.410 45.100 -0.382 0.000 1.739 114 G HN 0.276 nan 8.290 nan 0.000 0.646 115 I N -1.689 118.786 120.570 -0.157 0.000 2.815 115 I HA 0.273 4.451 4.170 0.013 0.000 0.291 115 I C -2.403 173.758 176.117 0.073 0.000 1.209 115 I CA -1.763 59.512 61.300 -0.042 0.000 1.431 115 I CB 0.474 38.420 38.000 -0.091 0.000 1.351 115 I HN -0.087 nan 8.210 nan 0.000 0.585 116 P HA 0.012 nan 4.420 nan 0.000 0.268 116 P C -0.948 176.506 177.300 0.257 0.000 1.205 116 P CA 0.167 63.368 63.100 0.169 0.000 0.771 116 P CB 0.241 32.035 31.700 0.155 0.000 0.858 117 Y N 2.922 123.253 120.300 0.053 0.000 2.578 117 Y HA 0.022 4.580 4.550 0.013 0.000 0.339 117 Y C 0.434 176.336 175.900 0.003 0.000 1.231 117 Y CA 0.251 58.203 58.100 -0.246 0.000 1.461 117 Y CB 0.136 38.490 38.460 -0.177 0.000 1.323 117 Y HN 0.173 nan 8.280 nan 0.000 0.590 118 L N 6.959 127.849 121.223 -0.554 0.000 2.395 118 L HA 0.380 4.728 4.340 0.013 0.000 0.268 118 L C 0.635 177.483 176.870 -0.036 0.000 1.223 118 L CA 0.360 55.000 54.840 -0.334 0.000 1.093 118 L CB -1.351 40.278 42.059 -0.716 0.000 1.349 118 L HN 0.935 nan 8.230 nan 0.000 0.427 119 G N 1.754 110.622 108.800 0.113 0.000 2.369 119 G HA2 0.194 4.162 3.960 0.013 0.000 0.295 119 G HA3 0.194 4.162 3.960 0.013 0.000 0.295 119 G C -1.940 172.861 174.900 -0.166 0.000 1.298 119 G CA -0.245 44.907 45.100 0.086 0.000 0.940 119 G HN 0.492 nan 8.290 nan 0.000 0.536 120 D N -2.582 117.524 120.400 -0.491 0.000 3.009 120 D HA 0.377 5.025 4.640 0.013 0.000 0.318 120 D C 1.587 177.277 176.300 -1.017 0.000 1.273 120 D CA -0.019 53.242 54.000 -1.231 0.000 1.001 120 D CB -0.134 40.295 40.800 -0.619 0.000 1.411 120 D HN 0.768 nan 8.370 nan 0.000 0.577 121 R N -0.021 120.034 120.500 -0.743 0.000 2.127 121 R HA -0.027 4.321 4.340 0.013 0.000 0.238 121 R C 1.422 177.626 176.300 -0.161 0.000 1.134 121 R CA 1.041 56.999 56.100 -0.236 0.000 0.975 121 R CB -0.456 29.752 30.300 -0.152 0.000 0.865 121 R HN 0.256 nan 8.270 nan 0.000 0.447 122 R N 1.035 121.426 120.500 -0.182 0.000 2.307 122 R HA 0.139 4.487 4.340 0.013 0.000 0.199 122 R C -0.042 176.212 176.300 -0.076 0.000 1.000 122 R CA 0.153 56.186 56.100 -0.111 0.000 1.023 122 R CB 0.319 30.559 30.300 -0.099 0.000 0.908 122 R HN 0.005 nan 8.270 nan 0.000 0.473 123 V N 2.821 122.687 119.914 -0.080 0.000 2.546 123 V HA 0.173 4.301 4.120 0.013 0.000 0.284 123 V C -2.001 174.100 176.094 0.011 0.000 1.050 123 V CA -2.117 60.170 62.300 -0.021 0.000 0.981 123 V CB 1.281 33.111 31.823 0.012 0.000 0.990 123 V HN -0.026 nan 8.190 nan 0.000 0.474 124 P HA 0.109 nan 4.420 nan 0.000 0.267 124 P C 0.996 178.311 177.300 0.025 0.000 1.200 124 P CA 0.025 63.130 63.100 0.008 0.000 0.772 124 P CB 0.484 32.183 31.700 -0.001 0.000 0.855 125 L N 1.770 123.001 121.223 0.014 0.000 2.187 125 L HA -0.198 4.150 4.340 0.013 0.000 0.213 125 L C 1.408 178.276 176.870 -0.003 0.000 1.100 125 L CA 1.699 56.547 54.840 0.014 0.000 0.765 125 L CB -0.625 41.429 42.059 -0.008 0.000 0.904 125 L HN 0.453 nan 8.230 nan 0.000 0.437 126 E N -0.451 119.735 120.200 -0.023 0.000 2.476 126 E HA 0.053 4.411 4.350 0.013 0.000 0.191 126 E C -0.216 176.321 176.600 -0.105 0.000 1.064 126 E CA 0.143 56.508 56.400 -0.059 0.000 0.866 126 E CB 0.252 29.925 29.700 -0.044 0.000 0.952 126 E HN 0.514 nan 8.360 nan 0.000 0.492 127 E N -0.273 119.884 120.200 -0.072 0.000 2.336 127 E HA 0.436 4.794 4.350 0.013 0.000 0.267 127 E C -0.836 175.761 176.600 -0.004 0.000 0.906 127 E CA -0.771 55.580 56.400 -0.082 0.000 0.781 127 E CB 1.688 31.383 29.700 -0.009 0.000 1.261 127 E HN -0.048 nan 8.360 nan 0.000 0.436 128 F N 1.210 121.162 119.950 0.003 0.000 2.443 128 F HA 0.392 4.927 4.527 0.013 0.000 0.335 128 F C 0.354 176.125 175.800 -0.047 0.000 1.104 128 F CA -0.926 57.039 58.000 -0.059 0.000 1.013 128 F CB 1.627 40.537 39.000 -0.150 0.000 1.136 128 F HN 0.292 nan 8.300 nan 0.000 0.470 129 N N 1.234 120.029 118.700 0.158 0.000 2.519 129 N HA 0.101 4.849 4.740 0.013 0.000 0.286 129 N C 0.206 175.738 175.510 0.036 0.000 1.079 129 N CA -0.216 52.875 53.050 0.068 0.000 0.878 129 N CB 1.738 40.247 38.487 0.037 0.000 1.375 129 N HN 0.704 nan 8.380 nan 0.000 0.514 130 T N -0.286 114.289 114.554 0.035 0.000 3.065 130 T HA 0.053 4.411 4.350 0.013 0.000 0.252 130 T C 0.805 175.497 174.700 -0.014 0.000 1.099 130 T CA 0.233 62.373 62.100 0.066 0.000 1.063 130 T CB -0.155 68.798 68.868 0.142 0.000 0.948 130 T HN 0.303 nan 8.240 nan 0.000 0.506 131 N N 2.386 121.058 118.700 -0.046 0.000 3.243 131 N HA 0.245 4.993 4.740 0.013 0.000 0.310 131 N C -0.405 175.039 175.510 -0.110 0.000 1.313 131 N CA -0.641 52.348 53.050 -0.102 0.000 1.204 131 N CB -0.874 37.554 38.487 -0.099 0.000 1.483 131 N HN 0.791 nan 8.380 nan 0.000 0.553 132 I N -3.737 116.777 120.570 -0.093 0.000 2.722 132 I HA 0.566 4.744 4.170 0.013 0.000 0.295 132 I C 0.768 176.838 176.117 -0.077 0.000 1.161 132 I CA -1.190 60.058 61.300 -0.086 0.000 1.032 132 I CB 1.585 39.548 38.000 -0.062 0.000 1.244 132 I HN -0.154 nan 8.210 nan 0.000 0.421 133 A N 3.459 126.236 122.820 -0.072 0.000 2.139 133 A HA -0.151 4.177 4.320 0.013 0.000 0.221 133 A C 1.911 179.478 177.584 -0.027 0.000 1.159 133 A CA 2.177 54.186 52.037 -0.046 0.000 0.662 133 A CB -0.897 18.103 19.000 -0.001 0.000 0.796 133 A HN 0.991 nan 8.150 nan 0.000 0.463 134 S N -2.021 113.675 115.700 -0.007 0.000 2.556 134 S HA 0.281 4.759 4.470 0.013 0.000 0.216 134 S C 0.991 175.627 174.600 0.059 0.000 0.970 134 S CA 0.592 58.808 58.200 0.026 0.000 0.912 134 S CB 0.366 63.592 63.200 0.044 0.000 0.790 134 S HN 0.232 nan 8.310 nan 0.000 0.504 135 V N 0.150 120.097 119.914 0.056 0.000 3.137 135 V HA 0.261 4.389 4.120 0.013 0.000 0.236 135 V C 0.496 176.680 176.094 0.150 0.000 1.260 135 V CA 0.590 62.972 62.300 0.136 0.000 1.244 135 V CB 0.320 32.229 31.823 0.144 0.000 1.016 135 V HN 0.418 nan 8.190 nan 0.000 0.477 136 T N 0.995 115.552 114.554 0.006 0.000 2.856 136 T HA 0.701 5.059 4.350 0.013 0.000 0.283 136 T C -1.158 173.472 174.700 -0.118 0.000 1.008 136 T CA -0.196 61.834 62.100 -0.117 0.000 0.997 136 T CB 2.620 71.358 68.868 -0.216 0.000 0.992 136 T HN 0.039 nan 8.240 nan 0.000 0.454 137 V N 3.215 123.047 119.914 -0.136 0.000 2.789 137 V HA 0.581 4.709 4.120 0.013 0.000 0.311 137 V C -1.242 174.777 176.094 -0.125 0.000 1.073 137 V CA -0.907 61.321 62.300 -0.120 0.000 0.921 137 V CB 2.220 33.955 31.823 -0.147 0.000 1.009 137 V HN 0.824 nan 8.190 nan 0.000 0.426 138 N N 4.148 122.819 118.700 -0.047 0.000 2.508 138 N HA 0.529 5.277 4.740 0.013 0.000 0.285 138 N C -0.990 174.539 175.510 0.032 0.000 1.144 138 N CA -0.469 52.585 53.050 0.007 0.000 0.978 138 N CB 1.528 40.098 38.487 0.137 0.000 1.180 138 N HN 0.776 nan 8.380 nan 0.000 0.484 139 K N -0.249 120.165 120.400 0.023 0.000 2.371 139 K HA 0.502 4.830 4.320 0.013 0.000 0.251 139 K C -1.168 175.427 176.600 -0.009 0.000 0.934 139 K CA -0.905 55.385 56.287 0.004 0.000 0.798 139 K CB 1.698 34.127 32.500 -0.118 0.000 1.204 139 K HN 0.205 nan 8.250 nan 0.000 0.427 140 L N 3.958 125.100 121.223 -0.136 0.000 2.278 140 L HA 0.222 4.570 4.340 0.013 0.000 0.287 140 L C 0.031 176.774 176.870 -0.212 0.000 1.072 140 L CA -0.160 54.486 54.840 -0.324 0.000 0.819 140 L CB 0.591 42.151 42.059 -0.832 0.000 1.176 140 L HN 0.864 nan 8.230 nan 0.000 0.435 141 I N 2.115 122.597 120.570 -0.147 0.000 2.628 141 I HA 0.058 4.236 4.170 0.013 0.000 0.255 141 I C 1.418 177.469 176.117 -0.110 0.000 1.119 141 I CA 0.804 62.039 61.300 -0.108 0.000 1.448 141 I CB -0.479 37.478 38.000 -0.072 0.000 1.133 141 I HN 0.771 nan 8.210 nan 0.000 0.438 142 S N 1.902 117.533 115.700 -0.114 0.000 2.555 142 S HA -0.049 4.429 4.470 0.013 0.000 0.264 142 S C 0.406 174.942 174.600 -0.107 0.000 1.378 142 S CA -0.337 57.803 58.200 -0.099 0.000 0.996 142 S CB -0.242 62.900 63.200 -0.098 0.000 0.869 142 S HN 0.301 nan 8.310 nan 0.000 0.546 143 N N 1.446 120.096 118.700 -0.083 0.000 2.444 143 N HA 0.266 5.015 4.740 0.013 0.000 0.255 143 N C -2.793 172.664 175.510 -0.089 0.000 1.255 143 N CA -1.230 51.774 53.050 -0.077 0.000 0.933 143 N CB -0.689 37.765 38.487 -0.056 0.000 1.143 143 N HN 0.440 nan 8.380 nan 0.000 0.453 144 P HA 0.145 nan 4.420 nan 0.000 0.265 144 P C 0.625 177.886 177.300 -0.065 0.000 1.222 144 P CA 0.482 63.533 63.100 -0.082 0.000 0.767 144 P CB 0.303 31.963 31.700 -0.068 0.000 0.801 145 G N 1.897 110.657 108.800 -0.067 0.000 2.370 145 G HA2 -0.067 3.901 3.960 0.013 0.000 0.174 145 G HA3 -0.067 3.901 3.960 0.013 0.000 0.174 145 G C -0.486 174.388 174.900 -0.045 0.000 1.002 145 G CA -0.339 44.732 45.100 -0.048 0.000 0.730 145 G HN 0.618 nan 8.290 nan 0.000 0.497 146 E N -0.391 119.773 120.200 -0.061 0.000 2.422 146 E HA 0.345 4.703 4.350 0.013 0.000 0.289 146 E C 0.264 176.819 176.600 -0.076 0.000 0.985 146 E CA -0.235 56.135 56.400 -0.050 0.000 0.812 146 E CB 1.024 30.701 29.700 -0.038 0.000 1.226 146 E HN 0.950 nan 8.360 nan 0.000 0.419 147 V N 0.163 120.050 119.914 -0.046 0.000 3.602 147 V HA -0.026 4.102 4.120 0.013 0.000 0.289 147 V C 1.700 177.777 176.094 -0.028 0.000 1.265 147 V CA 1.304 63.575 62.300 -0.049 0.000 1.202 147 V CB -1.309 30.551 31.823 0.062 0.000 1.012 147 V HN 0.754 nan 8.190 nan 0.000 0.431 148 E N 1.808 121.987 120.200 -0.034 0.000 2.136 148 E HA -0.247 4.111 4.350 0.013 0.000 0.202 148 E C 0.989 177.576 176.600 -0.022 0.000 1.019 148 E CA 1.446 57.833 56.400 -0.022 0.000 0.819 148 E CB -0.239 29.444 29.700 -0.028 0.000 0.739 148 E HN 0.727 nan 8.360 nan 0.000 0.458 149 R N 1.193 121.667 120.500 -0.043 0.000 2.480 149 R HA 0.399 4.747 4.340 0.013 0.000 0.306 149 R C -0.739 175.531 176.300 -0.049 0.000 0.958 149 R CA -0.747 55.330 56.100 -0.039 0.000 0.861 149 R CB 1.785 32.058 30.300 -0.045 0.000 1.171 149 R HN 0.157 nan 8.270 nan 0.000 0.445 150 K N 1.273 121.663 120.400 -0.017 0.000 2.482 150 K HA 0.622 4.950 4.320 0.013 0.000 0.257 150 K C -1.317 175.276 176.600 -0.012 0.000 0.969 150 K CA -1.191 55.094 56.287 -0.004 0.000 0.842 150 K CB 2.524 35.068 32.500 0.074 0.000 1.359 150 K HN 0.204 nan 8.250 nan 0.000 0.441 151 K N 0.096 120.483 120.400 -0.023 0.000 2.464 151 K HA 0.460 4.788 4.320 0.013 0.000 0.253 151 K C -0.939 175.618 176.600 -0.072 0.000 0.933 151 K CA -0.432 55.826 56.287 -0.047 0.000 0.801 151 K CB 2.181 34.651 32.500 -0.049 0.000 1.271 151 K HN 0.855 nan 8.250 nan 0.000 0.430 152 G N 2.931 111.662 108.800 -0.116 0.000 2.425 152 G HA2 0.663 4.631 3.960 0.013 0.000 0.302 152 G HA3 0.663 4.631 3.960 0.013 0.000 0.302 152 G C -0.647 174.108 174.900 -0.241 0.000 1.159 152 G CA -0.674 44.315 45.100 -0.185 0.000 0.865 152 G HN 0.712 nan 8.290 nan 0.000 0.515 153 I N -2.055 118.349 120.570 -0.277 0.000 2.894 153 I HA 0.647 4.825 4.170 0.013 0.000 0.302 153 I C -1.301 174.656 176.117 -0.268 0.000 1.188 153 I CA -1.359 59.793 61.300 -0.247 0.000 1.014 153 I CB 2.231 40.188 38.000 -0.072 0.000 1.242 153 I HN 0.321 nan 8.210 nan 0.000 0.430 154 F N 3.016 122.997 119.950 0.052 0.000 2.375 154 F HA 0.821 5.356 4.527 0.013 0.000 0.333 154 F C 0.751 176.619 175.800 0.113 0.000 1.104 154 F CA -0.210 57.826 58.000 0.060 0.000 1.149 154 F CB 1.741 40.784 39.000 0.073 0.000 1.190 154 F HN 0.775 nan 8.300 nan 0.000 0.533 155 A N 2.062 125.065 122.820 0.304 0.000 2.594 155 A HA 0.544 4.872 4.320 0.013 0.000 0.295 155 A C -0.589 177.124 177.584 0.215 0.000 1.071 155 A CA -0.770 51.437 52.037 0.284 0.000 0.685 155 A CB 1.360 20.504 19.000 0.239 0.000 1.285 155 A HN 0.654 nan 8.150 nan 0.000 0.405 156 N N -0.780 118.041 118.700 0.203 0.000 2.545 156 N HA 0.296 5.044 4.740 0.013 0.000 0.190 156 N C -0.516 175.084 175.510 0.149 0.000 1.043 156 N CA 0.682 53.818 53.050 0.144 0.000 0.879 156 N CB 0.431 38.980 38.487 0.102 0.000 1.210 156 N HN 0.581 nan 8.380 nan 0.000 0.437 157 L N 0.570 121.905 121.223 0.187 0.000 2.482 157 L HA 0.566 4.914 4.340 0.013 0.000 0.263 157 L C -1.841 175.171 176.870 0.236 0.000 0.957 157 L CA -0.475 54.477 54.840 0.187 0.000 0.836 157 L CB 1.846 44.003 42.059 0.163 0.000 1.324 157 L HN -0.067 nan 8.230 nan 0.000 0.406 158 I N 6.179 126.875 120.570 0.210 0.000 2.411 158 I HA 0.426 4.604 4.170 0.013 0.000 0.284 158 I C -0.706 175.542 176.117 0.218 0.000 1.012 158 I CA -0.405 61.004 61.300 0.183 0.000 1.119 158 I CB 1.633 39.692 38.000 0.099 0.000 1.261 158 I HN 0.484 nan 8.210 nan 0.000 0.448 159 I N 6.301 126.989 120.570 0.197 0.000 2.312 159 I HA 0.341 4.519 4.170 0.013 0.000 0.290 159 I C -0.363 175.938 176.117 0.307 0.000 1.008 159 I CA -0.231 61.255 61.300 0.309 0.000 1.226 159 I CB 0.622 38.811 38.000 0.316 0.000 1.371 159 I HN 0.342 nan 8.210 nan 0.000 0.468 160 F N 3.213 123.402 119.950 0.398 0.000 2.403 160 F HA 0.634 5.169 4.527 0.013 0.000 0.326 160 F C 1.299 177.343 175.800 0.408 0.000 1.099 160 F CA -0.211 58.024 58.000 0.393 0.000 1.036 160 F CB 0.638 39.931 39.000 0.488 0.000 1.336 160 F HN 0.377 nan 8.300 nan 0.000 0.497 161 G N -0.069 108.979 108.800 0.413 0.000 2.563 161 G HA2 0.443 4.411 3.960 0.013 0.000 0.283 161 G HA3 0.443 4.411 3.960 0.013 0.000 0.283 161 G C -2.677 172.434 174.900 0.352 0.000 1.309 161 G CA -1.271 43.943 45.100 0.191 0.000 1.022 161 G HN 0.338 nan 8.290 nan 0.000 0.501 162 P HA 0.202 nan 4.420 nan 0.000 0.274 162 P C 0.491 177.862 177.300 0.118 0.000 1.246 162 P CA 0.023 63.205 63.100 0.136 0.000 0.795 162 P CB 1.083 32.783 31.700 0.002 0.000 1.006 163 G N 0.760 109.497 108.800 -0.105 0.000 2.582 163 G HA2 0.235 4.203 3.960 0.013 0.000 0.232 163 G HA3 0.235 4.203 3.960 0.013 0.000 0.232 163 G C -1.674 172.855 174.900 -0.619 0.000 1.458 163 G CA -0.960 43.918 45.100 -0.369 0.000 1.062 163 G HN 0.244 nan 8.290 nan 0.000 0.566 164 P HA -0.034 nan 4.420 nan 0.000 0.216 164 P C 0.382 177.246 177.300 -0.727 0.000 1.153 164 P CA 0.727 63.151 63.100 -1.127 0.000 0.858 164 P CB 0.089 31.262 31.700 -0.878 0.000 0.789 165 V N 0.950 120.421 119.914 -0.738 0.000 2.364 165 V HA 0.081 4.209 4.120 0.013 0.000 0.272 165 V C 1.700 177.522 176.094 -0.454 0.000 1.036 165 V CA -0.086 61.787 62.300 -0.712 0.000 0.880 165 V CB 0.749 32.247 31.823 -0.542 0.000 0.991 165 V HN -0.006 nan 8.190 nan 0.000 0.460 166 L N 3.828 124.801 121.223 -0.418 0.000 2.046 166 L HA -0.119 4.229 4.340 0.013 0.000 0.208 166 L C 2.133 178.883 176.870 -0.199 0.000 1.077 166 L CA 1.430 56.079 54.840 -0.319 0.000 0.747 166 L CB -0.407 41.387 42.059 -0.441 0.000 0.896 166 L HN 0.885 nan 8.230 nan 0.000 0.432 167 N N 0.126 118.744 118.700 -0.136 0.000 2.434 167 N HA -0.098 4.650 4.740 0.013 0.000 0.196 167 N C 0.142 175.598 175.510 -0.091 0.000 1.183 167 N CA 0.264 53.268 53.050 -0.078 0.000 0.849 167 N CB -0.046 38.430 38.487 -0.018 0.000 0.992 167 N HN 0.418 nan 8.380 nan 0.000 0.460 168 E N 1.190 121.309 120.200 -0.135 0.000 2.373 168 E HA 0.185 4.543 4.350 0.013 0.000 0.233 168 E C -0.720 175.828 176.600 -0.087 0.000 1.035 168 E CA -0.546 55.784 56.400 -0.116 0.000 0.930 168 E CB 0.197 29.797 29.700 -0.166 0.000 1.278 168 E HN 0.232 nan 8.360 nan 0.000 0.452 169 N N 2.687 121.378 118.700 -0.014 0.000 2.518 169 N HA 0.079 4.827 4.740 0.013 0.000 0.266 169 N C -0.264 175.296 175.510 0.084 0.000 1.196 169 N CA 0.519 53.619 53.050 0.084 0.000 0.947 169 N CB 1.200 39.816 38.487 0.214 0.000 1.098 169 N HN 0.470 nan 8.380 nan 0.000 0.450 170 E N 0.209 120.455 120.200 0.077 0.000 2.372 170 E HA 0.276 4.634 4.350 0.013 0.000 0.279 170 E C -1.476 175.155 176.600 0.052 0.000 0.946 170 E CA -0.526 55.896 56.400 0.038 0.000 0.769 170 E CB 1.601 31.268 29.700 -0.056 0.000 1.230 170 E HN 0.302 nan 8.360 nan 0.000 0.442 171 T N 3.361 117.942 114.554 0.046 0.000 2.771 171 T HA 0.527 4.885 4.350 0.013 0.000 0.281 171 T C -0.618 174.107 174.700 0.042 0.000 0.982 171 T CA -0.363 61.775 62.100 0.065 0.000 0.978 171 T CB 0.288 69.210 68.868 0.090 0.000 0.930 171 T HN 0.255 nan 8.240 nan 0.000 0.447 172 I N 4.176 124.805 120.570 0.098 0.000 2.474 172 I HA 0.407 4.585 4.170 0.013 0.000 0.294 172 I C -0.145 176.090 176.117 0.197 0.000 1.005 172 I CA -0.813 60.587 61.300 0.166 0.000 1.113 172 I CB 1.891 40.057 38.000 0.277 0.000 1.289 172 I HN 0.595 nan 8.210 nan 0.000 0.436 173 D N 5.438 125.980 120.400 0.237 0.000 2.384 173 D HA 0.511 5.159 4.640 0.013 0.000 0.250 173 D C -0.460 176.098 176.300 0.430 0.000 1.029 173 D CA -0.493 53.675 54.000 0.280 0.000 0.990 173 D CB 1.448 42.402 40.800 0.256 0.000 1.175 173 D HN 0.255 nan 8.370 nan 0.000 0.532 174 I N 0.246 121.028 120.570 0.353 0.000 2.315 174 I HA 0.447 4.625 4.170 0.013 0.000 0.291 174 I C 0.742 176.958 176.117 0.164 0.000 1.006 174 I CA -0.518 60.962 61.300 0.300 0.000 1.265 174 I CB 1.479 39.556 38.000 0.128 0.000 1.387 174 I HN 0.428 nan 8.210 nan 0.000 0.475 175 G N 7.162 115.916 108.800 -0.077 0.000 2.388 175 G HA2 0.802 4.770 3.960 0.013 0.000 0.330 175 G HA3 0.802 4.770 3.960 0.013 0.000 0.330 175 G C -0.829 173.867 174.900 -0.341 0.000 1.142 175 G CA -0.425 44.206 45.100 -0.780 0.000 0.908 175 G HN 0.506 nan 8.290 nan 0.000 0.473 176 I N 0.719 121.103 120.570 -0.311 0.000 2.548 176 I HA 0.236 4.414 4.170 0.013 0.000 0.287 176 I C -0.068 175.979 176.117 -0.117 0.000 1.103 176 I CA -0.472 60.739 61.300 -0.149 0.000 1.049 176 I CB 2.213 40.160 38.000 -0.088 0.000 1.232 176 I HN 0.665 nan 8.210 nan 0.000 0.429 177 Q N 4.943 124.690 119.800 -0.088 0.000 2.451 177 Q HA -0.253 4.095 4.340 0.013 0.000 0.305 177 Q C 0.189 176.165 176.000 -0.040 0.000 1.345 177 Q CA 0.892 56.672 55.803 -0.038 0.000 0.854 177 Q CB -1.230 27.513 28.738 0.007 0.000 1.162 177 Q HN 0.929 nan 8.270 nan 0.000 0.440 178 N N -1.731 116.870 118.700 -0.164 0.000 2.828 178 N HA -0.222 4.526 4.740 0.013 0.000 0.248 178 N C -0.480 174.748 175.510 -0.470 0.000 1.044 178 N CA 0.892 53.782 53.050 -0.266 0.000 0.851 178 N CB -0.566 37.792 38.487 -0.216 0.000 1.136 178 N HN 0.518 nan 8.380 nan 0.000 0.572 179 H N -0.793 118.122 119.070 -0.259 0.000 2.797 179 H HA 0.458 5.022 4.556 0.013 0.000 0.372 179 H C -0.948 174.149 175.328 -0.385 0.000 1.168 179 H CA -0.237 55.716 56.048 -0.157 0.000 1.163 179 H CB 1.015 30.753 29.762 -0.040 0.000 1.778 179 H HN -0.090 nan 8.280 nan 0.000 0.551 180 F N 0.155 120.223 119.950 0.196 0.000 2.460 180 F HA 0.325 4.861 4.527 0.014 0.000 0.341 180 F C 1.167 177.079 175.800 0.187 0.000 1.130 180 F CA -0.605 57.489 58.000 0.157 0.000 0.962 180 F CB 1.652 40.732 39.000 0.132 0.000 1.171 180 F HN 0.685 nan 8.300 nan 0.000 0.436 181 A N 1.631 124.617 122.820 0.277 0.000 1.940 181 A HA -0.174 4.154 4.320 0.013 0.000 0.219 181 A C 2.173 179.991 177.584 0.390 0.000 1.176 181 A CA 2.089 54.303 52.037 0.295 0.000 0.631 181 A CB -0.851 18.240 19.000 0.153 0.000 0.814 181 A HN 0.726 nan 8.150 nan 0.000 0.446 182 S N -0.803 115.101 115.700 0.341 0.000 2.595 182 S HA -0.026 4.452 4.470 0.013 0.000 0.235 182 S C 1.400 176.167 174.600 0.278 0.000 0.974 182 S CA 0.900 59.279 58.200 0.298 0.000 0.942 182 S CB -0.229 63.126 63.200 0.259 0.000 0.766 182 S HN 0.646 nan 8.310 nan 0.000 0.536 183 R N 0.424 121.107 120.500 0.305 0.000 2.476 183 R HA 0.280 4.628 4.340 0.013 0.000 0.276 183 R C 0.202 176.653 176.300 0.252 0.000 0.941 183 R CA 0.136 56.381 56.100 0.242 0.000 1.088 183 R CB 0.356 30.782 30.300 0.209 0.000 1.216 183 R HN 0.510 nan 8.270 nan 0.000 0.533 184 E N -0.203 120.179 120.200 0.303 0.000 2.887 184 E HA 0.211 4.569 4.350 0.013 0.000 0.206 184 E C 0.474 177.107 176.600 0.055 0.000 0.983 184 E CA 0.148 56.698 56.400 0.250 0.000 1.141 184 E CB 1.534 31.461 29.700 0.377 0.000 1.061 184 E HN 0.349 nan 8.360 nan 0.000 0.468 185 G N 0.828 109.694 108.800 0.110 0.000 2.268 185 G HA2 -0.365 3.603 3.960 0.013 0.000 0.240 185 G HA3 -0.365 3.603 3.960 0.013 0.000 0.240 185 G C 0.728 175.508 174.900 -0.200 0.000 1.010 185 G CA 0.294 45.369 45.100 -0.042 0.000 0.618 185 G HN 0.306 nan 8.290 nan 0.000 0.516 186 F N 1.359 121.334 119.950 0.042 0.000 2.149 186 F HA 0.409 4.944 4.527 0.013 0.000 0.294 186 F C 2.096 177.981 175.800 0.141 0.000 1.095 186 F CA 1.963 59.991 58.000 0.046 0.000 1.276 186 F CB -0.513 38.516 39.000 0.047 0.000 1.023 186 F HN 1.170 nan 8.300 nan 0.000 0.480 187 G N -0.616 108.399 108.800 0.358 0.000 2.707 187 G HA2 0.353 4.321 3.960 0.013 0.000 0.686 187 G HA3 0.353 4.321 3.960 0.013 0.000 0.686 187 G C -0.457 174.586 174.900 0.237 0.000 1.315 187 G CA -0.735 44.515 45.100 0.249 0.000 0.832 187 G HN 0.917 nan 8.290 nan 0.000 0.573 188 G N -1.366 107.546 108.800 0.186 0.000 2.547 188 G HA2 0.653 4.621 3.960 0.013 0.000 0.291 188 G HA3 0.653 4.621 3.960 0.013 0.000 0.291 188 G C -0.338 174.641 174.900 0.133 0.000 1.471 188 G CA -0.400 44.795 45.100 0.158 0.000 0.798 188 G HN 1.208 nan 8.290 nan 0.000 0.504 189 I N 1.641 122.275 120.570 0.107 0.000 2.821 189 I HA -0.004 4.174 4.170 0.013 0.000 0.294 189 I C 0.432 176.602 176.117 0.088 0.000 1.210 189 I CA 0.520 61.874 61.300 0.091 0.000 1.430 189 I CB 0.386 38.415 38.000 0.048 0.000 1.356 189 I HN 0.155 nan 8.210 nan 0.000 0.563 190 M N 6.568 126.233 119.600 0.107 0.000 2.472 190 M HA 0.455 4.943 4.480 0.013 0.000 0.331 190 M C -0.453 175.925 176.300 0.130 0.000 1.170 190 M CA -0.483 54.887 55.300 0.117 0.000 1.009 190 M CB 1.701 34.376 32.600 0.125 0.000 1.672 190 M HN 0.524 nan 8.290 nan 0.000 0.453 191 Q N 1.711 121.597 119.800 0.143 0.000 2.458 191 Q HA 0.831 5.179 4.340 0.013 0.000 0.282 191 Q C -1.124 175.008 176.000 0.219 0.000 1.106 191 Q CA -0.748 55.189 55.803 0.224 0.000 0.814 191 Q CB 3.860 32.734 28.738 0.226 0.000 1.425 191 Q HN 0.705 nan 8.270 nan 0.000 0.437 192 M N 1.470 121.250 119.600 0.300 0.000 2.470 192 M HA 0.394 4.882 4.480 0.013 0.000 0.285 192 M C -2.140 174.335 176.300 0.292 0.000 1.213 192 M CA -0.680 54.758 55.300 0.230 0.000 0.901 192 M CB 2.386 35.126 32.600 0.232 0.000 1.718 192 M HN 0.619 nan 8.290 nan 0.000 0.469 193 K N 2.916 123.401 120.400 0.142 0.000 2.307 193 K HA 0.672 5.000 4.320 0.013 0.000 0.263 193 K C -1.831 174.965 176.600 0.326 0.000 0.973 193 K CA -0.527 55.864 56.287 0.173 0.000 0.846 193 K CB 1.896 34.297 32.500 -0.164 0.000 1.100 193 K HN 0.515 nan 8.250 nan 0.000 0.438 194 F N 2.437 122.557 119.950 0.284 0.000 2.591 194 F HA 0.527 5.062 4.527 0.013 0.000 0.309 194 F C -1.732 174.305 175.800 0.395 0.000 1.098 194 F CA -0.932 57.236 58.000 0.281 0.000 0.937 194 F CB 1.938 41.104 39.000 0.276 0.000 1.250 194 F HN 0.813 nan 8.300 nan 0.000 0.447 195 C N 8.658 127.552 119.300 -0.676 0.000 2.381 195 C HA 0.561 5.029 4.460 0.013 0.000 0.328 195 C C -1.824 172.714 174.990 -0.753 0.000 1.190 195 C CA -1.525 57.285 59.018 -0.346 0.000 1.369 195 C CB 1.397 29.027 27.740 -0.184 0.000 2.029 195 C HN 0.747 nan 8.230 nan 0.000 0.448 196 P HA 0.053 nan 4.420 nan 0.000 0.230 196 P C 0.802 178.037 177.300 -0.110 0.000 1.168 196 P CA 1.178 64.156 63.100 -0.205 0.000 0.793 196 P CB 0.667 32.387 31.700 0.034 0.000 0.851 197 E N -0.382 119.783 120.200 -0.058 0.000 2.076 197 E HA -0.057 4.301 4.350 0.013 0.000 0.190 197 E C 0.123 176.472 176.600 -0.418 0.000 0.979 197 E CA 0.964 57.237 56.400 -0.212 0.000 0.807 197 E CB -0.639 28.926 29.700 -0.225 0.000 0.761 197 E HN 0.343 nan 8.360 nan 0.000 0.454 198 Y N 0.815 121.026 120.300 -0.147 0.000 2.594 198 Y HA 0.255 4.813 4.550 0.013 0.000 0.342 198 Y C 0.116 175.935 175.900 -0.134 0.000 1.010 198 Y CA -1.125 56.879 58.100 -0.160 0.000 1.270 198 Y CB 0.365 38.719 38.460 -0.177 0.000 1.125 198 Y HN -0.197 nan 8.280 nan 0.000 0.513 199 V N 0.064 119.958 119.914 -0.033 0.000 2.834 199 V HA 0.735 4.863 4.120 0.013 0.000 0.313 199 V C 0.224 176.339 176.094 0.034 0.000 1.060 199 V CA -1.106 61.204 62.300 0.017 0.000 0.989 199 V CB 1.576 33.441 31.823 0.072 0.000 1.041 199 V HN 0.650 nan 8.190 nan 0.000 0.459 200 S N 1.975 117.717 115.700 0.071 0.000 2.593 200 S HA 0.676 5.154 4.470 0.013 0.000 0.269 200 S C -0.239 174.438 174.600 0.127 0.000 1.334 200 S CA -0.550 57.699 58.200 0.081 0.000 1.015 200 S CB 1.243 64.490 63.200 0.079 0.000 0.912 200 S HN 1.090 nan 8.310 nan 0.000 0.541 201 V N 2.727 122.696 119.914 0.091 0.000 2.680 201 V HA 0.783 4.911 4.120 0.013 0.000 0.309 201 V C -0.616 175.537 176.094 0.099 0.000 1.052 201 V CA -0.799 61.516 62.300 0.024 0.000 0.908 201 V CB 1.135 32.919 31.823 -0.065 0.000 1.001 201 V HN 0.948 nan 8.190 nan 0.000 0.431 202 F N 1.878 121.839 119.950 0.019 0.000 2.643 202 F HA 0.905 5.440 4.527 0.013 0.000 0.314 202 F C -0.910 174.928 175.800 0.063 0.000 1.096 202 F CA -1.226 56.783 58.000 0.016 0.000 0.953 202 F CB 1.960 40.952 39.000 -0.014 0.000 1.345 202 F HN 0.532 nan 8.300 nan 0.000 0.468 203 N N -0.742 118.073 118.700 0.191 0.000 2.324 203 N HA 0.498 5.246 4.740 0.013 0.000 0.285 203 N C -1.550 174.064 175.510 0.173 0.000 1.076 203 N CA -0.503 52.625 53.050 0.129 0.000 0.864 203 N CB 1.079 39.573 38.487 0.012 0.000 1.632 203 N HN 1.095 nan 8.380 nan 0.000 0.478 204 N N 0.046 118.837 118.700 0.151 0.000 2.488 204 N HA 0.543 5.291 4.740 0.013 0.000 0.274 204 N C 1.416 176.953 175.510 0.046 0.000 1.111 204 N CA -0.301 52.816 53.050 0.113 0.000 0.974 204 N CB 0.572 39.110 38.487 0.085 0.000 1.089 204 N HN 0.827 nan 8.380 nan 0.000 0.465 205 V N 0.590 120.552 119.914 0.080 0.000 2.323 205 V HA -0.035 4.093 4.120 0.013 0.000 0.244 205 V C 2.661 178.770 176.094 0.024 0.000 1.041 205 V CA 2.784 65.092 62.300 0.014 0.000 1.025 205 V CB -1.485 30.398 31.823 0.099 0.000 0.656 205 V HN 0.978 nan 8.190 nan 0.000 0.451 206 Q N -0.114 119.732 119.800 0.076 0.000 2.500 206 Q HA 0.282 4.630 4.340 0.013 0.000 0.213 206 Q C 1.437 177.477 176.000 0.068 0.000 0.974 206 Q CA 2.309 58.158 55.803 0.077 0.000 0.918 206 Q CB -1.085 27.707 28.738 0.091 0.000 0.980 206 Q HN 1.095 nan 8.270 nan 0.000 0.505 207 E N -1.044 119.190 120.200 0.057 0.000 3.371 207 E HA 0.723 5.081 4.350 0.013 0.000 0.263 207 E C 0.040 176.674 176.600 0.057 0.000 0.652 207 E CA 0.217 56.658 56.400 0.068 0.000 1.779 207 E CB 0.066 29.814 29.700 0.080 0.000 1.956 207 E HN 1.413 nan 8.360 nan 0.000 0.401 208 N N -1.686 117.063 118.700 0.082 0.000 3.186 208 N HA 0.550 5.298 4.740 0.013 0.000 0.230 208 N C -0.493 175.089 175.510 0.119 0.000 1.062 208 N CA 0.211 53.307 53.050 0.077 0.000 1.084 208 N CB 0.513 39.061 38.487 0.102 0.000 1.662 208 N HN 1.059 nan 8.380 nan 0.000 0.627 209 K N 0.338 120.786 120.400 0.080 0.000 2.081 209 K HA 0.593 4.921 4.320 0.013 0.000 0.230 209 K C 1.574 178.171 176.600 -0.005 0.000 1.199 209 K CA 0.638 56.939 56.287 0.023 0.000 1.130 209 K CB -1.118 31.343 32.500 -0.065 0.000 1.386 209 K HN 2.536 nan 8.250 nan 0.000 0.280 210 G N 0.088 108.911 108.800 0.039 0.000 2.203 210 G HA2 0.114 4.082 3.960 0.013 0.000 0.263 210 G HA3 0.114 4.082 3.960 0.013 0.000 0.263 210 G C 0.814 175.753 174.900 0.065 0.000 1.012 210 G CA 0.782 45.904 45.100 0.038 0.000 0.749 210 G HN 2.395 nan 8.290 nan 0.000 0.512 211 A N -2.625 120.249 122.820 0.091 0.000 2.415 211 A HA 0.392 4.720 4.320 0.013 0.000 0.292 211 A C 1.027 178.687 177.584 0.126 0.000 1.452 211 A CA 2.282 54.389 52.037 0.116 0.000 0.750 211 A CB -1.513 17.548 19.000 0.102 0.000 1.099 211 A HN 2.685 nan 8.150 nan 0.000 0.391 212 S N -1.521 114.261 115.700 0.136 0.000 2.423 212 S HA 0.777 5.255 4.470 0.013 0.000 0.213 212 S C 0.915 175.616 174.600 0.169 0.000 1.131 212 S CA 0.285 58.584 58.200 0.165 0.000 1.155 212 S CB -0.049 63.222 63.200 0.118 0.000 1.202 212 S HN 2.001 nan 8.310 nan 0.000 0.441 213 I N 0.622 121.301 120.570 0.182 0.000 2.353 213 I HA 0.214 4.392 4.170 0.013 0.000 0.248 213 I C 1.915 177.982 176.117 -0.084 0.000 1.119 213 I CA 1.461 62.769 61.300 0.014 0.000 1.417 213 I CB -1.528 36.369 38.000 -0.172 0.000 1.078 213 I HN 0.708 nan 8.210 nan 0.000 0.421 214 F N 0.657 120.622 119.950 0.026 0.000 2.325 214 F HA 0.071 4.606 4.527 0.014 0.000 0.299 214 F C 1.589 177.405 175.800 0.027 0.000 1.090 214 F CA 0.850 58.864 58.000 0.023 0.000 1.392 214 F CB -0.618 38.394 39.000 0.021 0.000 1.053 214 F HN 0.338 nan 8.300 nan 0.000 0.521 215 N N 0.642 119.467 118.700 0.208 0.000 2.405 215 N HA 0.171 4.919 4.740 0.013 0.000 0.269 215 N C -0.158 175.399 175.510 0.079 0.000 1.249 215 N CA -0.416 52.708 53.050 0.124 0.000 0.974 215 N CB 0.614 39.163 38.487 0.102 0.000 1.204 215 N HN -0.025 nan 8.380 nan 0.000 0.565 216 R N 0.194 120.732 120.500 0.063 0.000 2.543 216 R HA 0.196 4.544 4.340 0.013 0.000 0.277 216 R C 0.000 176.300 176.300 -0.001 0.000 1.074 216 R CA -0.080 56.048 56.100 0.046 0.000 1.076 216 R CB 0.548 30.901 30.300 0.089 0.000 0.993 216 R HN 0.604 nan 8.270 nan 0.000 0.459 217 R N 0.320 120.805 120.500 -0.025 0.000 2.854 217 R HA 0.785 5.133 4.340 0.013 0.000 0.271 217 R C -0.425 175.787 176.300 -0.147 0.000 0.994 217 R CA -0.242 55.814 56.100 -0.074 0.000 0.945 217 R CB 1.604 31.908 30.300 0.005 0.000 1.194 217 R HN 0.730 nan 8.270 nan 0.000 0.476 218 G N -0.319 108.346 108.800 -0.225 0.000 2.592 218 G HA2 -0.033 3.935 3.960 0.013 0.000 0.684 218 G HA3 -0.033 3.935 3.960 0.013 0.000 0.684 218 G C -1.731 172.839 174.900 -0.550 0.000 1.291 218 G CA -0.605 44.347 45.100 -0.248 0.000 0.891 218 G HN 0.497 nan 8.290 nan 0.000 0.544 219 Y N -0.852 119.009 120.300 -0.732 0.000 2.512 219 Y HA 0.707 5.265 4.550 0.013 0.000 0.348 219 Y C 0.566 175.938 175.900 -0.880 0.000 0.990 219 Y CA -0.927 56.635 58.100 -0.895 0.000 1.033 219 Y CB 1.758 39.599 38.460 -1.031 0.000 1.259 219 Y HN 0.770 nan 8.280 nan 0.000 0.461 220 F N -1.335 118.383 119.950 -0.386 0.000 2.432 220 F HA 0.828 5.363 4.527 0.013 0.000 0.329 220 F C 0.124 175.922 175.800 -0.002 0.000 1.076 220 F CA -1.279 56.557 58.000 -0.273 0.000 1.018 220 F CB 0.602 39.352 39.000 -0.417 0.000 1.201 220 F HN 0.271 nan 8.300 nan 0.000 0.489 221 S N 0.334 116.257 115.700 0.371 0.000 2.603 221 S HA 0.075 4.553 4.470 0.013 0.000 0.268 221 S C -0.631 174.268 174.600 0.499 0.000 1.317 221 S CA -0.599 57.846 58.200 0.408 0.000 1.012 221 S CB 0.513 63.900 63.200 0.311 0.000 0.926 221 S HN 0.718 nan 8.310 nan 0.000 0.539 222 D N 2.042 122.715 120.400 0.454 0.000 2.313 222 D HA 0.191 4.839 4.640 0.013 0.000 0.239 222 D C -1.396 175.107 176.300 0.338 0.000 1.142 222 D CA -2.184 52.135 54.000 0.532 0.000 0.847 222 D CB 1.320 42.379 40.800 0.431 0.000 1.082 222 D HN 0.123 nan 8.370 nan 0.000 0.480 223 P HA -0.170 nan 4.420 nan 0.000 0.220 223 P C 0.986 178.435 177.300 0.248 0.000 1.144 223 P CA 0.784 64.027 63.100 0.239 0.000 0.800 223 P CB 0.274 32.048 31.700 0.123 0.000 0.772 224 A N -0.367 122.568 122.820 0.191 0.000 1.968 224 A HA -0.109 4.220 4.320 0.013 0.000 0.217 224 A C 2.172 179.739 177.584 -0.028 0.000 1.169 224 A CA 1.108 53.187 52.037 0.069 0.000 0.638 224 A CB -1.375 17.676 19.000 0.086 0.000 0.812 224 A HN 0.203 nan 8.150 nan 0.000 0.446 225 L N -0.273 120.968 121.223 0.030 0.000 2.131 225 L HA 0.071 4.419 4.340 0.013 0.000 0.206 225 L C 2.097 178.998 176.870 0.052 0.000 1.087 225 L CA 1.311 56.139 54.840 -0.020 0.000 0.767 225 L CB -0.326 41.740 42.059 0.011 0.000 0.917 225 L HN 0.400 nan 8.230 nan 0.000 0.441 226 I N -1.054 119.603 120.570 0.144 0.000 2.226 226 I HA -0.279 3.899 4.170 0.013 0.000 0.245 226 I C 2.315 178.577 176.117 0.242 0.000 1.100 226 I CA 1.078 62.513 61.300 0.225 0.000 1.374 226 I CB -0.378 37.810 38.000 0.313 0.000 1.057 226 I HN 0.308 nan 8.210 nan 0.000 0.413 227 L N 0.475 121.772 121.223 0.123 0.000 2.046 227 L HA -0.174 4.174 4.340 0.013 0.000 0.208 227 L C 2.402 179.148 176.870 -0.206 0.000 1.077 227 L CA 1.862 56.558 54.840 -0.241 0.000 0.747 227 L CB -0.440 41.325 42.059 -0.490 0.000 0.896 227 L HN 0.154 nan 8.230 nan 0.000 0.432 228 M N -1.818 117.677 119.600 -0.175 0.000 2.296 228 M HA -0.200 4.289 4.480 0.013 0.000 0.265 228 M C 2.232 178.441 176.300 -0.151 0.000 1.064 228 M CA 1.537 56.711 55.300 -0.210 0.000 1.109 228 M CB -0.591 31.862 32.600 -0.244 0.000 1.396 228 M HN 0.440 nan 8.290 nan 0.000 0.430 229 H N 0.857 119.851 119.070 -0.127 0.000 2.321 229 H HA -0.127 4.437 4.556 0.013 0.000 0.300 229 H C 1.906 177.156 175.328 -0.131 0.000 1.087 229 H CA 1.860 57.839 56.048 -0.115 0.000 1.319 229 H CB 0.227 29.986 29.762 -0.005 0.000 1.379 229 H HN 0.178 nan 8.280 nan 0.000 0.501 230 E N 0.567 120.801 120.200 0.058 0.000 2.110 230 E HA -0.122 4.236 4.350 0.013 0.000 0.193 230 E C 2.544 179.108 176.600 -0.060 0.000 0.988 230 E CA 0.791 57.246 56.400 0.092 0.000 0.804 230 E CB -0.270 29.521 29.700 0.153 0.000 0.745 230 E HN 0.558 nan 8.360 nan 0.000 0.458 231 L N 0.401 121.527 121.223 -0.162 0.000 2.131 231 L HA -0.110 4.239 4.340 0.013 0.000 0.210 231 L C 2.436 179.132 176.870 -0.289 0.000 1.092 231 L CA 0.659 55.375 54.840 -0.207 0.000 0.759 231 L CB -0.337 41.559 42.059 -0.272 0.000 0.903 231 L HN 0.090 nan 8.230 nan 0.000 0.435 232 I N -1.147 119.182 120.570 -0.401 0.000 2.315 232 I HA -0.279 3.899 4.170 0.013 0.000 0.248 232 I C 2.575 178.276 176.117 -0.694 0.000 1.117 232 I CA 0.897 61.842 61.300 -0.591 0.000 1.404 232 I CB -0.447 37.185 38.000 -0.614 0.000 1.071 232 I HN 0.321 nan 8.210 nan 0.000 0.419 233 H N 0.110 118.944 119.070 -0.394 0.000 2.389 233 H HA -0.075 4.489 4.556 0.013 0.000 0.299 233 H C 2.474 177.734 175.328 -0.114 0.000 1.081 233 H CA 1.339 57.258 56.048 -0.215 0.000 1.345 233 H CB -0.256 29.448 29.762 -0.096 0.000 1.393 233 H HN 0.157 nan 8.280 nan 0.000 0.520 234 V N 1.259 121.180 119.914 0.011 0.000 2.295 234 V HA -0.228 3.900 4.120 0.013 0.000 0.246 234 V C 2.719 178.828 176.094 0.025 0.000 1.049 234 V CA 1.468 63.789 62.300 0.035 0.000 1.024 234 V CB -0.769 31.061 31.823 0.012 0.000 0.648 234 V HN 0.194 nan 8.190 nan 0.000 0.447 235 L N 0.198 121.362 121.223 -0.098 0.000 1.990 235 L HA -0.263 4.085 4.340 0.013 0.000 0.213 235 L C 2.390 179.334 176.870 0.124 0.000 1.072 235 L CA 2.293 57.092 54.840 -0.068 0.000 0.755 235 L CB -0.997 40.857 42.059 -0.342 0.000 0.889 235 L HN 0.472 nan 8.230 nan 0.000 0.432 236 H N -1.437 117.650 119.070 0.028 0.000 2.352 236 H HA -0.111 4.453 4.556 0.013 0.000 0.299 236 H C 2.058 177.482 175.328 0.160 0.000 1.097 236 H CA 0.682 56.773 56.048 0.073 0.000 1.311 236 H CB -0.367 29.424 29.762 0.049 0.000 1.377 236 H HN 0.559 nan 8.280 nan 0.000 0.504 237 G N 0.565 109.528 108.800 0.271 0.000 2.408 237 G HA2 -0.181 3.787 3.960 0.013 0.000 0.217 237 G HA3 -0.181 3.787 3.960 0.013 0.000 0.217 237 G C 1.641 176.673 174.900 0.221 0.000 1.150 237 G CA 0.449 45.684 45.100 0.226 0.000 0.776 237 G HN 0.224 nan 8.290 nan 0.000 0.542 238 L N -1.101 120.245 121.223 0.205 0.000 2.093 238 L HA 0.006 4.354 4.340 0.013 0.000 0.208 238 L C 2.191 179.083 176.870 0.037 0.000 1.085 238 L CA 0.717 55.629 54.840 0.120 0.000 0.755 238 L CB -0.230 41.877 42.059 0.081 0.000 0.904 238 L HN 0.188 nan 8.230 nan 0.000 0.435 239 Y N 0.077 120.442 120.300 0.107 0.000 2.490 239 Y HA 0.181 4.739 4.550 0.013 0.000 0.281 239 Y C 1.697 177.776 175.900 0.300 0.000 1.174 239 Y CA 0.260 58.442 58.100 0.135 0.000 1.295 239 Y CB -0.289 38.251 38.460 0.135 0.000 1.062 239 Y HN 0.245 nan 8.280 nan 0.000 0.522 240 G N 1.770 110.781 108.800 0.351 0.000 2.249 240 G HA2 -0.310 3.658 3.960 0.013 0.000 0.273 240 G HA3 -0.310 3.658 3.960 0.013 0.000 0.273 240 G C 0.636 175.747 174.900 0.353 0.000 1.036 240 G CA 0.774 46.078 45.100 0.339 0.000 0.824 240 G HN 0.688 nan 8.290 nan 0.000 0.504 241 I N -3.372 117.388 120.570 0.316 0.000 3.936 241 I HA 0.524 4.702 4.170 0.013 0.000 0.330 241 I C 0.983 177.163 176.117 0.106 0.000 1.509 241 I CA -0.370 61.058 61.300 0.213 0.000 1.126 241 I CB 0.572 38.668 38.000 0.160 0.000 1.115 241 I HN 0.028 nan 8.210 nan 0.000 0.424 242 K N 2.994 123.481 120.400 0.144 0.000 3.165 242 K HA 0.196 4.524 4.320 0.013 0.000 0.270 242 K C 0.406 177.039 176.600 0.055 0.000 1.111 242 K CA -0.255 56.091 56.287 0.099 0.000 1.216 242 K CB -0.137 32.446 32.500 0.138 0.000 1.229 242 K HN 0.498 nan 8.250 nan 0.000 0.435 243 V N -1.450 118.500 119.914 0.060 0.000 3.139 243 V HA 0.142 4.270 4.120 0.013 0.000 0.307 243 V C -0.039 176.060 176.094 0.008 0.000 1.095 243 V CA -0.456 61.876 62.300 0.054 0.000 1.160 243 V CB 0.981 32.851 31.823 0.079 0.000 1.003 243 V HN 0.153 nan 8.190 nan 0.000 0.489 244 D N 1.678 122.082 120.400 0.007 0.000 2.198 244 D HA 0.664 5.312 4.640 0.013 0.000 0.247 244 D C -0.296 176.004 176.300 0.001 0.000 1.010 244 D CA -0.133 53.856 54.000 -0.018 0.000 0.880 244 D CB 1.615 42.396 40.800 -0.032 0.000 1.209 244 D HN 0.908 nan 8.370 nan 0.000 0.451 245 D N 0.246 120.638 120.400 -0.014 0.000 3.057 245 D HA 0.145 4.793 4.640 0.013 0.000 0.328 245 D C -1.135 175.156 176.300 -0.015 0.000 1.317 245 D CA -0.569 53.431 54.000 -0.001 0.000 0.973 245 D CB 1.089 41.897 40.800 0.012 0.000 1.424 245 D HN 0.169 nan 8.370 nan 0.000 0.569 246 L N 3.173 124.390 121.223 -0.010 0.000 2.562 246 L HA 0.255 4.603 4.340 0.013 0.000 0.271 246 L C -2.010 174.829 176.870 -0.051 0.000 1.167 246 L CA -0.225 54.598 54.840 -0.028 0.000 0.917 246 L CB 0.187 42.235 42.059 -0.019 0.000 1.187 246 L HN 0.150 nan 8.230 nan 0.000 0.482 247 P HA 0.237 nan 4.420 nan 0.000 0.283 247 P C -0.904 176.342 177.300 -0.089 0.000 1.271 247 P CA -0.704 62.359 63.100 -0.063 0.000 0.841 247 P CB 1.333 33.008 31.700 -0.042 0.000 1.122 248 I N 2.064 122.607 120.570 -0.046 0.000 2.337 248 I HA 0.121 4.299 4.170 0.013 0.000 0.291 248 I C 0.546 176.691 176.117 0.047 0.000 1.046 248 I CA -0.474 60.806 61.300 -0.035 0.000 1.324 248 I CB 0.530 38.606 38.000 0.126 0.000 1.409 248 I HN 0.130 nan 8.210 nan 0.000 0.494 249 V N 6.872 126.760 119.914 -0.043 0.000 2.459 249 V HA 0.646 4.775 4.120 0.013 0.000 0.295 249 V C -2.507 173.536 176.094 -0.085 0.000 1.029 249 V CA -2.175 60.115 62.300 -0.016 0.000 0.874 249 V CB 1.581 33.371 31.823 -0.054 0.000 0.985 249 V HN 0.508 nan 8.190 nan 0.000 0.438 250 P HA 0.159 nan 4.420 nan 0.000 0.280 250 P C -0.493 176.644 177.300 -0.271 0.000 1.244 250 P CA -0.133 62.743 63.100 -0.373 0.000 0.784 250 P CB 0.910 32.403 31.700 -0.346 0.000 0.913 251 N N 2.643 121.150 118.700 -0.322 0.000 2.492 251 N HA -0.020 4.728 4.740 0.013 0.000 0.262 251 N C 0.194 175.534 175.510 -0.283 0.000 1.202 251 N CA 0.499 53.389 53.050 -0.266 0.000 0.926 251 N CB 0.146 38.442 38.487 -0.319 0.000 1.078 251 N HN 0.369 nan 8.380 nan 0.000 0.454 252 E N 1.881 121.945 120.200 -0.225 0.000 2.876 252 E HA 0.103 4.462 4.350 0.013 0.000 0.208 252 E C 0.293 176.770 176.600 -0.206 0.000 0.981 252 E CA -0.132 56.148 56.400 -0.201 0.000 1.174 252 E CB 0.511 30.144 29.700 -0.113 0.000 1.047 252 E HN 0.570 nan 8.360 nan 0.000 0.477 253 K N 0.720 120.969 120.400 -0.251 0.000 2.296 253 K HA 0.038 4.366 4.320 0.013 0.000 0.200 253 K C 0.597 177.046 176.600 -0.251 0.000 1.048 253 K CA 0.704 56.869 56.287 -0.203 0.000 0.966 253 K CB 0.278 32.682 32.500 -0.161 0.000 0.754 253 K HN -0.136 nan 8.250 nan 0.000 0.466 254 K N 0.557 120.675 120.400 -0.470 0.000 2.203 254 K HA 0.119 4.447 4.320 0.013 0.000 0.251 254 K C 0.709 176.926 176.600 -0.639 0.000 0.944 254 K CA -0.597 55.310 56.287 -0.635 0.000 0.829 254 K CB 1.054 32.784 32.500 -1.283 0.000 1.125 254 K HN -0.056 nan 8.250 nan 0.000 0.430 255 F N 0.919 120.652 119.950 -0.363 0.000 2.307 255 F HA -0.142 4.390 4.527 0.008 0.000 0.301 255 F C 1.125 176.855 175.800 -0.117 0.000 1.076 255 F CA 0.794 58.688 58.000 -0.178 0.000 1.383 255 F CB -0.585 38.391 39.000 -0.039 0.000 1.055 255 F HN 0.420 nan 8.300 nan 0.000 0.526 256 F N -0.409 119.002 119.950 -0.897 0.000 2.765 256 F HA 0.450 4.992 4.527 0.024 0.000 0.302 256 F C 0.349 176.144 175.800 -0.008 0.000 1.111 256 F CA -1.405 56.368 58.000 -0.378 0.000 1.359 256 F CB -1.236 37.555 39.000 -0.347 0.000 1.097 256 F HN -0.120 nan 8.300 nan 0.000 0.577 257 M N 1.935 121.337 119.600 -0.330 0.000 2.216 257 M HA 0.198 4.686 4.480 0.013 0.000 0.356 257 M C 0.129 176.420 176.300 -0.015 0.000 1.205 257 M CA -0.319 54.898 55.300 -0.138 0.000 1.122 257 M CB 1.406 33.769 32.600 -0.396 0.000 1.571 257 M HN 0.217 nan 8.290 nan 0.000 0.464 258 Q N 1.941 121.793 119.800 0.086 0.000 2.304 258 Q HA 0.222 4.570 4.340 0.013 0.000 0.260 258 Q C -1.087 174.973 176.000 0.100 0.000 0.965 258 Q CA -0.098 55.790 55.803 0.143 0.000 0.898 258 Q CB 0.891 29.790 28.738 0.267 0.000 1.196 258 Q HN 0.685 nan 8.270 nan 0.000 0.402 259 S N 2.919 118.697 115.700 0.131 0.000 2.508 259 S HA 0.592 5.070 4.470 0.013 0.000 0.284 259 S C -0.557 174.111 174.600 0.114 0.000 1.192 259 S CA -0.436 57.819 58.200 0.093 0.000 1.070 259 S CB 1.770 65.023 63.200 0.089 0.000 1.004 259 S HN 0.751 nan 8.310 nan 0.000 0.493 260 T N 1.354 115.974 114.554 0.110 0.000 2.718 260 T HA 0.249 4.607 4.350 0.013 0.000 0.306 260 T C -1.871 172.893 174.700 0.106 0.000 1.485 260 T CA -0.786 61.388 62.100 0.124 0.000 0.997 260 T CB 0.899 69.908 68.868 0.235 0.000 1.504 260 T HN 0.466 nan 8.240 nan 0.000 0.497 261 D N 1.525 121.981 120.400 0.093 0.000 2.357 261 D HA 0.475 5.123 4.640 0.013 0.000 0.242 261 D C 0.466 176.831 176.300 0.109 0.000 1.153 261 D CA 0.041 54.087 54.000 0.076 0.000 0.918 261 D CB 0.959 41.795 40.800 0.060 0.000 1.181 261 D HN 0.796 nan 8.370 nan 0.000 0.435 262 A N 1.442 124.303 122.820 0.069 0.000 2.483 262 A HA 0.256 4.584 4.320 0.013 0.000 0.238 262 A C 0.235 177.859 177.584 0.066 0.000 1.070 262 A CA 0.061 52.137 52.037 0.065 0.000 0.770 262 A CB -0.042 18.969 19.000 0.018 0.000 1.008 262 A HN 0.495 nan 8.150 nan 0.000 0.497 263 I N 2.335 122.946 120.570 0.070 0.000 2.355 263 I HA 0.188 4.366 4.170 0.013 0.000 0.288 263 I C 0.031 176.109 176.117 -0.063 0.000 0.999 263 I CA -0.444 60.853 61.300 -0.006 0.000 1.163 263 I CB 1.499 39.483 38.000 -0.026 0.000 1.316 263 I HN 0.588 nan 8.210 nan 0.000 0.454 264 Q N 3.574 123.318 119.800 -0.093 0.000 2.354 264 Q HA 0.293 4.641 4.340 0.013 0.000 0.244 264 Q C 1.071 176.968 176.000 -0.173 0.000 0.969 264 Q CA -0.078 55.660 55.803 -0.110 0.000 0.885 264 Q CB 1.525 30.207 28.738 -0.094 0.000 1.241 264 Q HN 0.849 nan 8.270 nan 0.000 0.461 265 A N 2.075 124.762 122.820 -0.222 0.000 1.940 265 A HA -0.214 4.114 4.320 0.013 0.000 0.219 265 A C 1.755 178.993 177.584 -0.575 0.000 1.176 265 A CA 1.697 53.482 52.037 -0.421 0.000 0.631 265 A CB -0.246 18.449 19.000 -0.509 0.000 0.814 265 A HN 0.806 nan 8.150 nan 0.000 0.446 266 E N 0.423 120.411 120.200 -0.354 0.000 2.160 266 E HA -0.229 4.129 4.350 0.013 0.000 0.195 266 E C 1.754 178.382 176.600 0.046 0.000 0.991 266 E CA 1.642 57.946 56.400 -0.161 0.000 0.810 266 E CB -0.176 29.496 29.700 -0.048 0.000 0.742 266 E HN 0.793 nan 8.360 nan 0.000 0.466 267 E N 0.224 120.432 120.200 0.014 0.000 2.072 267 E HA -0.112 4.246 4.350 0.013 0.000 0.191 267 E C 2.395 179.018 176.600 0.038 0.000 0.985 267 E CA 0.859 57.324 56.400 0.108 0.000 0.801 267 E CB -0.070 29.608 29.700 -0.035 0.000 0.750 267 E HN 0.273 nan 8.360 nan 0.000 0.452 268 L N 0.146 121.309 121.223 -0.099 0.000 2.141 268 L HA -0.152 4.196 4.340 0.013 0.000 0.209 268 L C 2.323 179.361 176.870 0.280 0.000 1.094 268 L CA 0.720 55.564 54.840 0.006 0.000 0.763 268 L CB -0.367 41.676 42.059 -0.027 0.000 0.908 268 L HN 0.174 nan 8.230 nan 0.000 0.437 269 Y N 0.436 120.810 120.300 0.123 0.000 2.200 269 Y HA -0.191 4.366 4.550 0.013 0.000 0.290 269 Y C 2.917 178.888 175.900 0.118 0.000 1.137 269 Y CA 1.099 59.286 58.100 0.145 0.000 1.163 269 Y CB -1.445 37.040 38.460 0.043 0.000 0.988 269 Y HN 0.149 nan 8.280 nan 0.000 0.518 270 T N 0.448 115.162 114.554 0.268 0.000 2.759 270 T HA -0.227 4.131 4.350 0.013 0.000 0.269 270 T C 1.742 176.495 174.700 0.088 0.000 1.042 270 T CA 1.546 63.678 62.100 0.053 0.000 1.140 270 T CB -0.667 68.030 68.868 -0.284 0.000 0.864 270 T HN 0.283 nan 8.240 nan 0.000 0.455 271 F N 1.346 121.375 119.950 0.133 0.000 2.163 271 F HA 0.285 4.821 4.527 0.014 0.000 0.297 271 F C 1.587 177.452 175.800 0.108 0.000 1.094 271 F CA 1.019 59.116 58.000 0.161 0.000 1.290 271 F CB -0.578 38.522 39.000 0.168 0.000 1.017 271 F HN 0.380 nan 8.300 nan 0.000 0.483 272 G N -0.155 108.741 108.800 0.160 0.000 2.593 272 G HA2 0.220 4.188 3.960 0.013 0.000 0.237 272 G HA3 0.220 4.188 3.960 0.013 0.000 0.237 272 G C 0.715 175.684 174.900 0.114 0.000 1.312 272 G CA 0.000 45.148 45.100 0.079 0.000 0.896 272 G HN 1.548 nan 8.290 nan 0.000 0.574 273 G N -1.170 107.653 108.800 0.037 0.000 2.556 273 G HA2 -0.057 3.911 3.960 0.013 0.000 0.283 273 G HA3 -0.057 3.911 3.960 0.013 0.000 0.283 273 G C 1.299 176.288 174.900 0.149 0.000 1.177 273 G CA 2.259 47.407 45.100 0.081 0.000 0.978 273 G HN 2.358 nan 8.290 nan 0.000 0.554 274 Q N -0.287 119.623 119.800 0.185 0.000 2.245 274 Q HA 0.074 4.422 4.340 0.013 0.000 0.201 274 Q C 1.735 177.862 176.000 0.212 0.000 0.955 274 Q CA 1.702 57.608 55.803 0.172 0.000 0.870 274 Q CB -0.098 28.723 28.738 0.137 0.000 0.945 274 Q HN 0.560 nan 8.270 nan 0.000 0.461 275 D N 2.096 122.661 120.400 0.275 0.000 2.172 275 D HA -0.138 4.510 4.640 0.013 0.000 0.196 275 D C -0.717 175.751 176.300 0.280 0.000 0.999 275 D CA 1.300 55.472 54.000 0.288 0.000 0.856 275 D CB -1.433 39.549 40.800 0.303 0.000 0.934 275 D HN 0.373 nan 8.370 nan 0.000 0.453 276 P HA -0.027 nan 4.420 nan 0.000 0.219 276 P C 1.193 178.670 177.300 0.295 0.000 1.146 276 P CA 1.116 64.438 63.100 0.370 0.000 0.808 276 P CB 0.051 31.936 31.700 0.308 0.000 0.779 277 S N -0.996 114.845 115.700 0.235 0.000 2.474 277 S HA -0.028 4.450 4.470 0.013 0.000 0.235 277 S C 1.630 176.364 174.600 0.224 0.000 0.997 277 S CA 0.747 59.083 58.200 0.225 0.000 0.949 277 S CB -0.902 62.426 63.200 0.214 0.000 0.766 277 S HN 0.209 nan 8.310 nan 0.000 0.517 278 I N 1.037 121.742 120.570 0.225 0.000 3.251 278 I HA 0.035 4.213 4.170 0.013 0.000 0.277 278 I C -0.230 176.037 176.117 0.249 0.000 1.268 278 I CA 0.429 61.864 61.300 0.224 0.000 1.449 278 I CB 0.111 38.234 38.000 0.205 0.000 1.083 278 I HN 0.166 nan 8.210 nan 0.000 0.464 279 I N 2.169 122.884 120.570 0.243 0.000 2.291 279 I HA 0.082 4.260 4.170 0.013 0.000 0.290 279 I C 0.999 177.264 176.117 0.246 0.000 1.050 279 I CA -0.210 61.227 61.300 0.227 0.000 1.245 279 I CB 0.444 38.585 38.000 0.236 0.000 1.405 279 I HN 0.094 nan 8.210 nan 0.000 0.478 280 T N 4.774 119.466 114.554 0.231 0.000 2.855 280 T HA 0.119 4.477 4.350 0.013 0.000 0.322 280 T C -1.706 173.104 174.700 0.183 0.000 1.088 280 T CA -0.811 61.405 62.100 0.194 0.000 1.104 280 T CB 0.634 69.610 68.868 0.180 0.000 0.996 280 T HN 0.318 nan 8.240 nan 0.000 0.549 281 P HA -0.074 nan 4.420 nan 0.000 0.216 281 P C 1.861 179.227 177.300 0.109 0.000 1.150 281 P CA 1.098 64.287 63.100 0.148 0.000 0.837 281 P CB -0.100 31.687 31.700 0.144 0.000 0.786 282 S N -1.038 114.714 115.700 0.087 0.000 2.353 282 S HA -0.158 4.320 4.470 0.013 0.000 0.222 282 S C 1.945 176.602 174.600 0.095 0.000 1.035 282 S CA 2.018 60.258 58.200 0.066 0.000 1.025 282 S CB -1.510 61.723 63.200 0.055 0.000 0.902 282 S HN 0.266 nan 8.310 nan 0.000 0.440 283 T N 2.018 116.645 114.554 0.122 0.000 2.904 283 T HA -0.062 4.296 4.350 0.013 0.000 0.267 283 T C 1.381 176.195 174.700 0.190 0.000 1.059 283 T CA 1.024 63.202 62.100 0.131 0.000 1.137 283 T CB -0.424 68.512 68.868 0.114 0.000 0.879 283 T HN 0.287 nan 8.240 nan 0.000 0.467 284 D N 1.376 121.921 120.400 0.242 0.000 2.104 284 D HA -0.071 4.577 4.640 0.013 0.000 0.194 284 D C 2.159 178.637 176.300 0.298 0.000 0.994 284 D CA 1.173 55.388 54.000 0.359 0.000 0.830 284 D CB -0.102 40.887 40.800 0.315 0.000 0.959 284 D HN 0.348 nan 8.370 nan 0.000 0.452 285 K N 0.351 120.857 120.400 0.177 0.000 2.097 285 K HA -0.059 4.269 4.320 0.013 0.000 0.205 285 K C 2.236 178.935 176.600 0.166 0.000 1.050 285 K CA 0.724 57.089 56.287 0.130 0.000 0.938 285 K CB -0.091 32.432 32.500 0.039 0.000 0.718 285 K HN -0.076 nan 8.250 nan 0.000 0.442 286 S N 1.135 116.918 115.700 0.138 0.000 2.359 286 S HA -0.139 4.339 4.470 0.013 0.000 0.224 286 S C 1.908 176.589 174.600 0.135 0.000 1.035 286 S CA 1.150 59.418 58.200 0.113 0.000 1.018 286 S CB -0.188 63.065 63.200 0.089 0.000 0.876 286 S HN 0.199 nan 8.310 nan 0.000 0.448 287 I N -0.068 120.614 120.570 0.186 0.000 2.202 287 I HA -0.132 4.046 4.170 0.013 0.000 0.242 287 I C 2.251 178.495 176.117 0.212 0.000 1.091 287 I CA 1.607 63.033 61.300 0.210 0.000 1.368 287 I CB -0.546 37.629 38.000 0.292 0.000 1.058 287 I HN 0.395 nan 8.210 nan 0.000 0.410 288 Y N 2.156 122.496 120.300 0.067 0.000 2.081 288 Y HA -0.365 4.193 4.550 0.013 0.000 0.280 288 Y C 2.230 178.056 175.900 -0.123 0.000 1.163 288 Y CA 2.078 60.051 58.100 -0.210 0.000 1.135 288 Y CB -0.304 38.035 38.460 -0.203 0.000 0.970 288 Y HN 0.204 nan 8.280 nan 0.000 0.498 289 D N 0.019 120.498 120.400 0.131 0.000 2.123 289 D HA -0.172 4.476 4.640 0.013 0.000 0.196 289 D C 2.055 178.323 176.300 -0.053 0.000 0.992 289 D CA 1.652 55.668 54.000 0.026 0.000 0.833 289 D CB -0.261 40.582 40.800 0.071 0.000 0.954 289 D HN 0.403 nan 8.370 nan 0.000 0.455 290 K N 0.236 120.635 120.400 -0.001 0.000 2.057 290 K HA -0.071 4.257 4.320 0.013 0.000 0.207 290 K C 2.155 178.742 176.600 -0.022 0.000 1.049 290 K CA 0.606 56.895 56.287 0.004 0.000 0.931 290 K CB -0.035 32.494 32.500 0.048 0.000 0.714 290 K HN 0.010 nan 8.250 nan 0.000 0.440 291 V N 1.500 121.387 119.914 -0.045 0.000 2.358 291 V HA -0.212 3.916 4.120 0.013 0.000 0.246 291 V C 2.132 178.085 176.094 -0.235 0.000 1.047 291 V CA 1.231 63.486 62.300 -0.074 0.000 1.035 291 V CB -0.381 31.428 31.823 -0.023 0.000 0.658 291 V HN 0.258 nan 8.190 nan 0.000 0.452 292 L N 0.444 121.437 121.223 -0.384 0.000 2.012 292 L HA -0.204 4.144 4.340 0.013 0.000 0.210 292 L C 2.429 179.100 176.870 -0.332 0.000 1.073 292 L CA 2.297 56.723 54.840 -0.689 0.000 0.748 292 L CB -1.049 40.523 42.059 -0.812 0.000 0.891 292 L HN 0.380 nan 8.230 nan 0.000 0.431 293 Q N -0.240 119.441 119.800 -0.198 0.000 2.124 293 Q HA -0.203 4.145 4.340 0.013 0.000 0.202 293 Q C 2.015 177.976 176.000 -0.066 0.000 0.977 293 Q CA 1.893 57.627 55.803 -0.115 0.000 0.850 293 Q CB -0.369 28.326 28.738 -0.071 0.000 0.901 293 Q HN 0.579 nan 8.270 nan 0.000 0.429 294 N N -0.712 117.983 118.700 -0.009 0.000 2.166 294 N HA -0.119 4.629 4.740 0.013 0.000 0.186 294 N C 1.240 176.784 175.510 0.057 0.000 1.019 294 N CA 1.043 54.110 53.050 0.029 0.000 0.856 294 N CB -0.322 38.246 38.487 0.136 0.000 0.993 294 N HN 0.253 nan 8.380 nan 0.000 0.426 295 F N 1.642 121.488 119.950 -0.173 0.000 2.234 295 F HA 0.062 4.597 4.527 0.014 0.000 0.299 295 F C 2.276 177.949 175.800 -0.211 0.000 1.087 295 F CA 0.531 58.447 58.000 -0.140 0.000 1.340 295 F CB -0.395 38.637 39.000 0.052 0.000 1.031 295 F HN -0.022 nan 8.300 nan 0.000 0.500 296 R N -0.273 120.191 120.500 -0.061 0.000 2.081 296 R HA -0.110 4.238 4.340 0.013 0.000 0.235 296 R C 2.568 178.739 176.300 -0.215 0.000 1.131 296 R CA 1.213 57.213 56.100 -0.167 0.000 0.960 296 R CB -1.165 29.047 30.300 -0.147 0.000 0.856 296 R HN 0.368 nan 8.270 nan 0.000 0.436 297 G N 1.670 110.344 108.800 -0.210 0.000 2.421 297 G HA2 -0.212 3.756 3.960 0.013 0.000 0.216 297 G HA3 -0.212 3.756 3.960 0.013 0.000 0.216 297 G C 1.388 176.070 174.900 -0.362 0.000 1.171 297 G CA 0.492 45.443 45.100 -0.250 0.000 0.775 297 G HN 0.067 nan 8.290 nan 0.000 0.543 298 I N 0.699 120.967 120.570 -0.504 0.000 2.226 298 I HA -0.092 4.086 4.170 0.013 0.000 0.245 298 I C 2.868 178.724 176.117 -0.436 0.000 1.100 298 I CA 0.703 61.616 61.300 -0.645 0.000 1.374 298 I CB -1.244 36.183 38.000 -0.955 0.000 1.057 298 I HN 0.100 nan 8.210 nan 0.000 0.413 299 V N 1.318 120.904 119.914 -0.547 0.000 2.490 299 V HA -0.293 3.835 4.120 0.013 0.000 0.250 299 V C 2.198 178.077 176.094 -0.359 0.000 1.061 299 V CA 2.422 64.251 62.300 -0.785 0.000 1.064 299 V CB -0.387 30.726 31.823 -1.183 0.000 0.670 299 V HN 0.378 nan 8.190 nan 0.000 0.461 300 D N -0.514 119.724 120.400 -0.270 0.000 2.123 300 D HA -0.157 4.491 4.640 0.013 0.000 0.200 300 D C 2.354 178.594 176.300 -0.100 0.000 0.976 300 D CA 1.287 55.196 54.000 -0.152 0.000 0.831 300 D CB -0.123 40.596 40.800 -0.134 0.000 0.974 300 D HN 0.364 nan 8.370 nan 0.000 0.469 301 R N -0.316 120.107 120.500 -0.129 0.000 2.091 301 R HA -0.055 4.293 4.340 0.013 0.000 0.238 301 R C 2.449 178.767 176.300 0.030 0.000 1.136 301 R CA 0.929 56.999 56.100 -0.050 0.000 0.959 301 R CB -0.318 29.924 30.300 -0.097 0.000 0.856 301 R HN 0.296 nan 8.270 nan 0.000 0.437 302 L N 0.766 122.006 121.223 0.029 0.000 2.131 302 L HA -0.185 4.163 4.340 0.013 0.000 0.210 302 L C 1.685 178.653 176.870 0.163 0.000 1.092 302 L CA 0.971 55.863 54.840 0.086 0.000 0.759 302 L CB -0.450 41.541 42.059 -0.113 0.000 0.903 302 L HN 0.269 nan 8.230 nan 0.000 0.435 303 N N 0.185 118.967 118.700 0.136 0.000 2.457 303 N HA -0.083 4.665 4.740 0.013 0.000 0.180 303 N C 1.340 176.891 175.510 0.069 0.000 1.050 303 N CA 0.920 54.062 53.050 0.153 0.000 0.906 303 N CB 0.241 38.776 38.487 0.080 0.000 0.968 303 N HN 0.421 nan 8.380 nan 0.000 0.445 304 K N -0.090 120.327 120.400 0.029 0.000 2.402 304 K HA 0.155 4.483 4.320 0.013 0.000 0.203 304 K C 0.166 176.742 176.600 -0.041 0.000 1.077 304 K CA -0.124 56.160 56.287 -0.005 0.000 1.051 304 K CB 1.405 33.895 32.500 -0.017 0.000 0.907 304 K HN -0.140 nan 8.250 nan 0.000 0.554 305 V N 2.227 122.097 119.914 -0.072 0.000 2.585 305 V HA 0.028 4.156 4.120 0.013 0.000 0.296 305 V C 0.559 176.546 176.094 -0.179 0.000 1.035 305 V CA 0.500 62.663 62.300 -0.229 0.000 1.084 305 V CB 0.425 31.939 31.823 -0.515 0.000 0.953 305 V HN 0.236 nan 8.190 nan 0.000 0.483 306 L N 6.521 127.637 121.223 -0.178 0.000 2.806 306 L HA 0.377 4.725 4.340 0.013 0.000 0.242 306 L C 0.129 176.944 176.870 -0.091 0.000 1.068 306 L CA 0.574 55.356 54.840 -0.096 0.000 0.923 306 L CB 0.941 42.967 42.059 -0.054 0.000 1.364 306 L HN 0.659 nan 8.230 nan 0.000 0.511 307 V N -4.242 115.599 119.914 -0.123 0.000 3.206 307 V HA 0.508 4.636 4.120 0.013 0.000 0.305 307 V C -1.481 174.590 176.094 -0.039 0.000 1.257 307 V CA -1.294 60.972 62.300 -0.057 0.000 1.057 307 V CB 2.188 33.998 31.823 -0.022 0.000 1.075 307 V HN 0.047 nan 8.190 nan 0.000 0.443 308 C N 4.686 124.015 119.300 0.048 0.000 2.437 308 C HA 0.611 5.079 4.460 0.013 0.000 0.307 308 C C 1.594 176.618 174.990 0.056 0.000 1.093 308 C CA -0.321 58.759 59.018 0.103 0.000 1.463 308 C CB -0.501 27.340 27.740 0.169 0.000 1.926 308 C HN 0.991 nan 8.230 nan 0.000 0.420 309 I N 4.117 124.709 120.570 0.037 0.000 2.315 309 I HA -0.027 4.151 4.170 0.013 0.000 0.248 309 I C 2.037 178.163 176.117 0.015 0.000 1.117 309 I CA 2.275 63.587 61.300 0.020 0.000 1.404 309 I CB -1.757 36.249 38.000 0.009 0.000 1.071 309 I HN 0.695 nan 8.210 nan 0.000 0.419 310 S N 0.464 116.174 115.700 0.017 0.000 2.402 310 S HA -0.139 4.339 4.470 0.013 0.000 0.229 310 S C 0.802 175.402 174.600 0.000 0.000 1.021 310 S CA 0.950 59.150 58.200 -0.000 0.000 0.974 310 S CB -0.448 62.748 63.200 -0.007 0.000 0.800 310 S HN 0.629 nan 8.310 nan 0.000 0.484 311 D N 1.029 121.442 120.400 0.021 0.000 2.336 311 D HA 0.435 5.083 4.640 0.013 0.000 0.248 311 D C -2.548 173.777 176.300 0.042 0.000 1.326 311 D CA -2.275 51.741 54.000 0.025 0.000 0.973 311 D CB 1.736 42.559 40.800 0.037 0.000 1.255 311 D HN -0.126 nan 8.370 nan 0.000 0.558 312 P HA -0.063 nan 4.420 nan 0.000 0.221 312 P C 0.915 178.245 177.300 0.050 0.000 1.145 312 P CA 0.727 63.850 63.100 0.038 0.000 0.795 312 P CB 0.185 31.900 31.700 0.026 0.000 0.775 313 N N -0.738 117.993 118.700 0.052 0.000 2.461 313 N HA -0.011 4.737 4.740 0.013 0.000 0.188 313 N C 0.006 175.573 175.510 0.094 0.000 1.134 313 N CA -0.139 52.950 53.050 0.064 0.000 0.878 313 N CB 0.066 38.587 38.487 0.056 0.000 0.972 313 N HN -0.025 nan 8.380 nan 0.000 0.456 314 I N 2.221 122.850 120.570 0.099 0.000 2.517 314 I HA -0.045 4.133 4.170 0.013 0.000 0.285 314 I C 0.475 176.683 176.117 0.153 0.000 1.106 314 I CA 0.100 61.472 61.300 0.120 0.000 1.402 314 I CB 0.243 38.263 38.000 0.033 0.000 1.399 314 I HN 0.095 nan 8.210 nan 0.000 0.535 315 N N 7.893 126.712 118.700 0.199 0.000 2.415 315 N HA 0.055 4.803 4.740 0.013 0.000 0.250 315 N C 1.052 176.720 175.510 0.263 0.000 1.127 315 N CA -0.388 52.770 53.050 0.180 0.000 0.945 315 N CB 0.768 39.331 38.487 0.125 0.000 1.196 315 N HN 0.340 nan 8.380 nan 0.000 0.499 316 I N 2.854 123.577 120.570 0.254 0.000 2.151 316 I HA -0.318 3.860 4.170 0.013 0.000 0.243 316 I C 1.698 178.003 176.117 0.314 0.000 1.080 316 I CA 1.040 62.550 61.300 0.349 0.000 1.339 316 I CB -1.036 37.092 38.000 0.212 0.000 1.039 316 I HN 0.522 nan 8.210 nan 0.000 0.409 317 N N 1.114 119.932 118.700 0.198 0.000 2.069 317 N HA -0.162 4.586 4.740 0.013 0.000 0.191 317 N C 1.912 177.491 175.510 0.114 0.000 1.031 317 N CA 1.210 54.355 53.050 0.158 0.000 0.852 317 N CB -0.296 38.255 38.487 0.108 0.000 1.018 317 N HN 0.263 nan 8.380 nan 0.000 0.423 318 I N 0.422 121.027 120.570 0.057 0.000 2.163 318 I HA -0.272 3.906 4.170 0.013 0.000 0.243 318 I C 1.902 177.877 176.117 -0.237 0.000 1.085 318 I CA 1.268 62.512 61.300 -0.093 0.000 1.347 318 I CB -1.126 36.785 38.000 -0.149 0.000 1.044 318 I HN 0.118 nan 8.210 nan 0.000 0.408 319 Y N 1.153 121.350 120.300 -0.173 0.000 2.242 319 Y HA -0.158 4.400 4.550 0.013 0.000 0.291 319 Y C 2.613 178.382 175.900 -0.218 0.000 1.137 319 Y CA 1.341 59.186 58.100 -0.424 0.000 1.181 319 Y CB -0.323 37.806 38.460 -0.552 0.000 0.989 319 Y HN 0.108 nan 8.280 nan 0.000 0.527 320 K N -0.084 120.465 120.400 0.248 0.000 2.057 320 K HA -0.160 4.168 4.320 0.013 0.000 0.207 320 K C 1.667 178.352 176.600 0.141 0.000 1.049 320 K CA 1.414 57.870 56.287 0.281 0.000 0.931 320 K CB -0.147 32.549 32.500 0.327 0.000 0.714 320 K HN 0.289 nan 8.250 nan 0.000 0.440 321 N N 1.147 119.902 118.700 0.092 0.000 2.142 321 N HA -0.163 4.585 4.740 0.013 0.000 0.186 321 N C 1.663 177.155 175.510 -0.030 0.000 1.023 321 N CA 1.161 54.251 53.050 0.067 0.000 0.852 321 N CB -0.148 38.356 38.487 0.028 0.000 0.998 321 N HN 0.034 nan 8.380 nan 0.000 0.424 322 K N 0.841 121.124 120.400 -0.195 0.000 2.025 322 K HA 0.079 4.407 4.320 0.013 0.000 0.207 322 K C 1.869 178.346 176.600 -0.206 0.000 1.049 322 K CA 1.078 57.180 56.287 -0.309 0.000 0.933 322 K CB -0.609 31.528 32.500 -0.606 0.000 0.714 322 K HN 0.147 nan 8.250 nan 0.000 0.438 323 F N 1.105 121.034 119.950 -0.034 0.000 2.216 323 F HA -0.144 4.391 4.527 0.013 0.000 0.300 323 F C 2.335 178.155 175.800 0.033 0.000 1.085 323 F CA 0.878 58.907 58.000 0.048 0.000 1.326 323 F CB -0.068 39.084 39.000 0.254 0.000 1.027 323 F HN 0.099 nan 8.300 nan 0.000 0.497 324 K N 0.574 121.084 120.400 0.184 0.000 2.057 324 K HA -0.240 4.088 4.320 0.013 0.000 0.207 324 K C 1.647 178.285 176.600 0.064 0.000 1.049 324 K CA 2.036 58.415 56.287 0.153 0.000 0.931 324 K CB -0.291 32.333 32.500 0.208 0.000 0.714 324 K HN 0.143 nan 8.250 nan 0.000 0.440 325 D N 0.759 121.177 120.400 0.031 0.000 2.149 325 D HA -0.124 4.524 4.640 0.013 0.000 0.201 325 D C 1.908 178.174 176.300 -0.057 0.000 0.972 325 D CA 1.012 55.014 54.000 0.003 0.000 0.835 325 D CB 0.092 40.886 40.800 -0.010 0.000 0.966 325 D HN 0.201 nan 8.370 nan 0.000 0.476 326 K N -0.697 119.619 120.400 -0.139 0.000 2.020 326 K HA -0.205 4.123 4.320 0.013 0.000 0.212 326 K C 1.563 177.951 176.600 -0.353 0.000 1.050 326 K CA 1.361 57.471 56.287 -0.295 0.000 0.929 326 K CB -0.321 31.854 32.500 -0.541 0.000 0.714 326 K HN 0.256 nan 8.250 nan 0.000 0.443 327 Y N 0.736 120.823 120.300 -0.356 0.000 2.490 327 Y HA 0.129 4.687 4.550 0.013 0.000 0.281 327 Y C 0.083 175.719 175.900 -0.440 0.000 1.174 327 Y CA -0.130 57.592 58.100 -0.631 0.000 1.295 327 Y CB 0.537 38.033 38.460 -1.606 0.000 1.062 327 Y HN -0.002 nan 8.280 nan 0.000 0.522 328 K N -0.127 120.207 120.400 -0.110 0.000 3.071 328 K HA -0.217 4.111 4.320 0.013 0.000 0.265 328 K C -0.546 176.182 176.600 0.215 0.000 1.060 328 K CA 0.542 56.876 56.287 0.079 0.000 0.767 328 K CB -2.424 30.170 32.500 0.156 0.000 1.241 328 K HN 0.417 nan 8.250 nan 0.000 0.486 329 F N -0.234 119.865 119.950 0.248 0.000 2.440 329 F HA 0.221 4.756 4.527 0.013 0.000 0.323 329 F C 1.721 177.659 175.800 0.231 0.000 1.192 329 F CA -0.974 57.166 58.000 0.232 0.000 1.252 329 F CB 0.619 39.740 39.000 0.202 0.000 1.214 329 F HN -0.083 nan 8.300 nan 0.000 0.578 330 V N -0.726 119.444 119.914 0.427 0.000 2.881 330 V HA 0.603 4.731 4.120 0.013 0.000 0.316 330 V C -0.872 175.382 176.094 0.267 0.000 1.070 330 V CA -0.792 61.680 62.300 0.287 0.000 0.976 330 V CB 1.759 33.701 31.823 0.198 0.000 1.038 330 V HN 0.849 nan 8.190 nan 0.000 0.446 331 E N 1.581 121.884 120.200 0.172 0.000 2.246 331 E HA 0.413 4.771 4.350 0.013 0.000 0.266 331 E C -1.219 175.378 176.600 -0.005 0.000 0.880 331 E CA -0.683 55.741 56.400 0.040 0.000 0.762 331 E CB 1.963 31.674 29.700 0.017 0.000 1.180 331 E HN 0.990 nan 8.360 nan 0.000 0.416 332 D N 2.128 122.499 120.400 -0.049 0.000 2.393 332 D HA -0.019 4.629 4.640 0.013 0.000 0.246 332 D C 1.029 177.303 176.300 -0.042 0.000 1.275 332 D CA 0.050 54.031 54.000 -0.031 0.000 0.979 332 D CB 0.721 41.502 40.800 -0.033 0.000 1.101 332 D HN 0.353 nan 8.370 nan 0.000 0.505 333 S N -1.310 114.376 115.700 -0.024 0.000 2.500 333 S HA -0.173 4.305 4.470 0.013 0.000 0.239 333 S C 1.141 175.721 174.600 -0.033 0.000 0.989 333 S CA 0.780 58.968 58.200 -0.020 0.000 0.951 333 S CB -0.600 62.596 63.200 -0.008 0.000 0.759 333 S HN 0.602 nan 8.310 nan 0.000 0.523 334 E N 0.575 120.744 120.200 -0.051 0.000 2.307 334 E HA 0.307 4.665 4.350 0.013 0.000 0.195 334 E C 1.300 177.844 176.600 -0.093 0.000 0.975 334 E CA 0.315 56.681 56.400 -0.057 0.000 0.878 334 E CB 0.128 29.797 29.700 -0.051 0.000 0.845 334 E HN 0.663 nan 8.360 nan 0.000 0.488 335 G N 2.025 110.731 108.800 -0.156 0.000 2.159 335 G HA2 -0.201 3.767 3.960 0.013 0.000 0.170 335 G HA3 -0.201 3.767 3.960 0.013 0.000 0.170 335 G C 0.028 174.637 174.900 -0.485 0.000 1.007 335 G CA -0.244 44.684 45.100 -0.288 0.000 0.672 335 G HN 0.025 nan 8.290 nan 0.000 0.507 336 K N 1.170 121.383 120.400 -0.310 0.000 2.312 336 K HA 0.600 4.928 4.320 0.013 0.000 0.287 336 K C -0.137 176.305 176.600 -0.264 0.000 1.062 336 K CA -0.554 55.586 56.287 -0.246 0.000 0.934 336 K CB -0.106 32.331 32.500 -0.105 0.000 1.027 336 K HN 0.241 nan 8.250 nan 0.000 0.478 337 Y N 1.930 122.230 120.300 -0.001 0.000 2.320 337 Y HA 0.372 4.930 4.550 0.013 0.000 0.324 337 Y C 0.786 176.624 175.900 -0.103 0.000 1.190 337 Y CA -0.089 58.002 58.100 -0.015 0.000 1.215 337 Y CB 1.596 40.047 38.460 -0.016 0.000 1.221 337 Y HN 0.735 nan 8.280 nan 0.000 0.486 338 S N 1.230 116.976 115.700 0.076 0.000 2.625 338 S HA 0.647 5.125 4.470 0.013 0.000 0.271 338 S C -1.300 173.307 174.600 0.012 0.000 1.161 338 S CA -1.057 57.124 58.200 -0.032 0.000 0.820 338 S CB 1.061 64.266 63.200 0.008 0.000 1.137 338 S HN 0.524 nan 8.310 nan 0.000 0.470 339 I N 1.958 122.524 120.570 -0.007 0.000 2.371 339 I HA 0.284 4.462 4.170 0.013 0.000 0.290 339 I C -0.284 175.929 176.117 0.160 0.000 1.028 339 I CA -0.195 61.186 61.300 0.135 0.000 1.345 339 I CB 0.838 38.859 38.000 0.035 0.000 1.407 339 I HN 0.680 nan 8.210 nan 0.000 0.501 340 D N 6.534 127.085 120.400 0.252 0.000 2.412 340 D HA 0.129 4.777 4.640 0.013 0.000 0.224 340 D C 0.974 177.424 176.300 0.250 0.000 1.093 340 D CA -0.382 53.746 54.000 0.214 0.000 0.850 340 D CB 1.765 42.698 40.800 0.222 0.000 1.046 340 D HN 0.271 nan 8.370 nan 0.000 0.507 341 V N 4.508 124.540 119.914 0.197 0.000 2.317 341 V HA -0.305 3.823 4.120 0.013 0.000 0.251 341 V C 2.040 178.306 176.094 0.287 0.000 1.065 341 V CA 1.855 64.297 62.300 0.237 0.000 1.049 341 V CB -0.437 31.486 31.823 0.166 0.000 0.651 341 V HN 0.535 nan 8.190 nan 0.000 0.450 342 E N 0.872 121.202 120.200 0.217 0.000 2.077 342 E HA -0.157 4.202 4.350 0.013 0.000 0.193 342 E C 2.428 179.158 176.600 0.216 0.000 0.989 342 E CA 1.615 58.133 56.400 0.196 0.000 0.800 342 E CB -0.480 29.308 29.700 0.146 0.000 0.746 342 E HN 0.795 nan 8.360 nan 0.000 0.452 343 S N -0.111 115.730 115.700 0.234 0.000 2.406 343 S HA -0.110 4.368 4.470 0.013 0.000 0.228 343 S C 1.988 176.746 174.600 0.264 0.000 1.020 343 S CA 0.538 58.876 58.200 0.229 0.000 0.965 343 S CB -0.513 62.825 63.200 0.230 0.000 0.798 343 S HN 0.319 nan 8.310 nan 0.000 0.488 344 F N 3.055 123.126 119.950 0.201 0.000 2.146 344 F HA -0.014 4.521 4.527 0.013 0.000 0.298 344 F C 1.933 177.842 175.800 0.181 0.000 1.096 344 F CA 1.705 59.822 58.000 0.196 0.000 1.275 344 F CB -0.771 38.322 39.000 0.156 0.000 1.008 344 F HN 0.234 nan 8.300 nan 0.000 0.480 345 D N 0.196 120.716 120.400 0.198 0.000 2.104 345 D HA -0.243 4.405 4.640 0.013 0.000 0.194 345 D C 2.293 178.673 176.300 0.134 0.000 0.994 345 D CA 1.710 55.825 54.000 0.193 0.000 0.830 345 D CB -0.229 40.752 40.800 0.302 0.000 0.959 345 D HN 0.314 nan 8.370 nan 0.000 0.452 346 K N -0.578 119.913 120.400 0.152 0.000 2.026 346 K HA -0.145 4.184 4.320 0.013 0.000 0.208 346 K C 2.128 178.738 176.600 0.017 0.000 1.048 346 K CA 0.887 57.288 56.287 0.189 0.000 0.929 346 K CB -0.263 32.359 32.500 0.203 0.000 0.713 346 K HN 0.142 nan 8.250 nan 0.000 0.439 347 L N 0.590 121.786 121.223 -0.044 0.000 1.994 347 L HA -0.199 4.149 4.340 0.013 0.000 0.208 347 L C 2.147 178.849 176.870 -0.280 0.000 1.071 347 L CA 1.780 56.538 54.840 -0.136 0.000 0.745 347 L CB -0.914 41.128 42.059 -0.028 0.000 0.892 347 L HN 0.267 nan 8.230 nan 0.000 0.431 348 Y N 0.620 120.613 120.300 -0.512 0.000 2.081 348 Y HA -0.318 4.240 4.550 0.013 0.000 0.280 348 Y C 2.476 178.105 175.900 -0.452 0.000 1.163 348 Y CA 2.415 60.173 58.100 -0.571 0.000 1.135 348 Y CB -0.211 37.785 38.460 -0.774 0.000 0.970 348 Y HN 0.199 nan 8.280 nan 0.000 0.498 349 K N -0.521 119.776 120.400 -0.172 0.000 2.097 349 K HA -0.136 4.192 4.320 0.013 0.000 0.206 349 K C 2.256 178.453 176.600 -0.670 0.000 1.049 349 K CA 1.461 57.658 56.287 -0.150 0.000 0.933 349 K CB -0.238 32.495 32.500 0.389 0.000 0.717 349 K HN 0.224 nan 8.250 nan 0.000 0.442 350 S N 1.418 116.515 115.700 -1.005 0.000 2.368 350 S HA -0.054 4.424 4.470 0.013 0.000 0.225 350 S C 1.892 176.128 174.600 -0.608 0.000 1.030 350 S CA 1.005 58.426 58.200 -1.299 0.000 0.999 350 S CB -0.132 62.548 63.200 -0.867 0.000 0.844 350 S HN 0.203 nan 8.310 nan 0.000 0.459 351 L N 0.239 121.173 121.223 -0.481 0.000 2.179 351 L HA 0.056 4.404 4.340 0.013 0.000 0.208 351 L C 2.235 178.925 176.870 -0.300 0.000 1.096 351 L CA 0.710 55.375 54.840 -0.292 0.000 0.779 351 L CB -0.307 41.536 42.059 -0.360 0.000 0.922 351 L HN 0.325 nan 8.230 nan 0.000 0.443 352 M N -1.725 117.412 119.600 -0.772 0.000 2.545 352 M HA 0.100 4.588 4.480 0.013 0.000 0.264 352 M C 1.578 177.335 176.300 -0.904 0.000 1.155 352 M CA 1.324 56.014 55.300 -1.017 0.000 1.162 352 M CB -0.230 31.238 32.600 -1.886 0.000 1.330 352 M HN 0.130 nan 8.290 nan 0.000 0.479 353 F N -1.435 118.333 119.950 -0.304 0.000 2.728 353 F HA 0.354 4.889 4.527 0.013 0.000 0.314 353 F C 2.090 177.819 175.800 -0.118 0.000 1.094 353 F CA -0.090 57.798 58.000 -0.186 0.000 1.217 353 F CB -0.245 38.676 39.000 -0.132 0.000 1.056 353 F HN 0.116 nan 8.300 nan 0.000 0.577 354 G N 0.542 109.242 108.800 -0.167 0.000 2.508 354 G HA2 0.005 3.973 3.960 0.013 0.000 0.212 354 G HA3 0.005 3.973 3.960 0.013 0.000 0.212 354 G C 0.125 174.853 174.900 -0.287 0.000 1.206 354 G CA -0.049 44.911 45.100 -0.233 0.000 0.822 354 G HN 0.111 nan 8.290 nan 0.000 0.550 355 F N 2.710 122.558 119.950 -0.170 0.000 2.464 355 F HA 0.432 4.967 4.527 0.013 0.000 0.353 355 F C 0.805 176.510 175.800 -0.158 0.000 1.191 355 F CA -0.143 57.760 58.000 -0.163 0.000 1.147 355 F CB 0.674 39.541 39.000 -0.222 0.000 1.294 355 F HN 0.074 nan 8.300 nan 0.000 0.583 356 T N -1.583 112.974 114.554 0.004 0.000 2.896 356 T HA 0.262 4.620 4.350 0.013 0.000 0.297 356 T C 0.712 175.349 174.700 -0.105 0.000 1.108 356 T CA -0.863 61.206 62.100 -0.052 0.000 1.004 356 T CB 1.891 70.735 68.868 -0.039 0.000 1.159 356 T HN 0.536 nan 8.240 nan 0.000 0.499 357 E N 0.747 120.854 120.200 -0.155 0.000 2.058 357 E HA -0.173 4.185 4.350 0.013 0.000 0.194 357 E C 1.656 178.089 176.600 -0.279 0.000 0.997 357 E CA 2.052 58.341 56.400 -0.185 0.000 0.801 357 E CB -0.408 29.202 29.700 -0.150 0.000 0.746 357 E HN 0.786 nan 8.360 nan 0.000 0.450 358 T N 1.174 115.475 114.554 -0.422 0.000 2.684 358 T HA -0.148 4.210 4.350 0.013 0.000 0.267 358 T C 1.608 176.212 174.700 -0.160 0.000 1.036 358 T CA 1.426 63.321 62.100 -0.342 0.000 1.148 358 T CB -0.350 68.314 68.868 -0.340 0.000 0.863 358 T HN 0.170 nan 8.240 nan 0.000 0.436 359 N N 0.989 119.622 118.700 -0.112 0.000 2.120 359 N HA 0.042 4.790 4.740 0.013 0.000 0.188 359 N C 1.848 177.352 175.510 -0.010 0.000 1.024 359 N CA 0.886 53.906 53.050 -0.050 0.000 0.852 359 N CB -0.406 38.053 38.487 -0.045 0.000 1.003 359 N HN 0.402 nan 8.380 nan 0.000 0.424 360 I N 0.571 121.133 120.570 -0.014 0.000 2.286 360 I HA -0.166 4.012 4.170 0.013 0.000 0.245 360 I C 2.221 178.389 176.117 0.086 0.000 1.104 360 I CA 0.701 62.032 61.300 0.050 0.000 1.397 360 I CB -0.314 37.655 38.000 -0.051 0.000 1.072 360 I HN 0.051 nan 8.210 nan 0.000 0.417 361 A N 0.469 123.282 122.820 -0.012 0.000 1.883 361 A HA -0.255 4.073 4.320 0.013 0.000 0.217 361 A C 2.340 179.967 177.584 0.072 0.000 1.186 361 A CA 1.755 53.793 52.037 0.001 0.000 0.624 361 A CB -0.566 18.372 19.000 -0.104 0.000 0.822 361 A HN 0.361 nan 8.150 nan 0.000 0.444 362 E N 0.315 120.538 120.200 0.039 0.000 2.085 362 E HA -0.232 4.126 4.350 0.013 0.000 0.194 362 E C 1.864 178.518 176.600 0.089 0.000 0.994 362 E CA 1.696 58.133 56.400 0.062 0.000 0.801 362 E CB -0.418 29.295 29.700 0.022 0.000 0.743 362 E HN 0.641 nan 8.360 nan 0.000 0.453 363 N N -0.894 117.869 118.700 0.105 0.000 2.188 363 N HA -0.160 4.588 4.740 0.013 0.000 0.184 363 N C 1.241 176.780 175.510 0.048 0.000 1.018 363 N CA 1.054 54.150 53.050 0.078 0.000 0.858 363 N CB -0.178 38.372 38.487 0.106 0.000 0.989 363 N HN 0.114 nan 8.380 nan 0.000 0.426 364 Y N 0.565 120.875 120.300 0.017 0.000 2.466 364 Y HA 0.288 4.846 4.550 0.013 0.000 0.272 364 Y C 0.129 176.066 175.900 0.062 0.000 1.169 364 Y CA 0.062 58.178 58.100 0.027 0.000 1.285 364 Y CB 0.094 38.567 38.460 0.022 0.000 1.078 364 Y HN -0.081 nan 8.280 nan 0.000 0.523 365 K N 0.420 120.947 120.400 0.210 0.000 3.096 365 K HA -0.208 4.120 4.320 0.013 0.000 0.266 365 K C -0.771 176.064 176.600 0.392 0.000 1.043 365 K CA 0.492 56.936 56.287 0.262 0.000 0.758 365 K CB -2.113 30.466 32.500 0.133 0.000 1.260 365 K HN 0.307 nan 8.250 nan 0.000 0.481 366 I N 0.781 121.522 120.570 0.285 0.000 2.441 366 I HA 0.211 4.389 4.170 0.013 0.000 0.295 366 I C 0.463 176.517 176.117 -0.104 0.000 0.994 366 I CA -0.853 60.558 61.300 0.185 0.000 1.144 366 I CB 1.664 39.752 38.000 0.146 0.000 1.314 366 I HN 0.031 nan 8.210 nan 0.000 0.445 367 K N 3.794 123.982 120.400 -0.354 0.000 2.174 367 K HA 0.480 4.809 4.320 0.013 0.000 0.275 367 K C -0.510 175.948 176.600 -0.238 0.000 1.015 367 K CA 0.012 55.906 56.287 -0.655 0.000 0.933 367 K CB 1.424 33.379 32.500 -0.909 0.000 1.025 367 K HN 0.699 nan 8.250 nan 0.000 0.463 368 T N 1.234 115.500 114.554 -0.480 0.000 2.778 368 T HA 0.335 4.693 4.350 0.013 0.000 0.293 368 T C -1.174 172.758 174.700 -1.279 0.000 1.144 368 T CA -0.917 60.653 62.100 -0.883 0.000 1.010 368 T CB 0.823 69.440 68.868 -0.419 0.000 1.325 368 T HN 0.762 nan 8.240 nan 0.000 0.515 369 R N 1.235 120.974 120.500 -1.268 0.000 2.694 369 R HA 0.587 4.935 4.340 0.013 0.000 0.268 369 R C 1.158 177.365 176.300 -0.154 0.000 1.061 369 R CA 0.284 55.975 56.100 -0.681 0.000 1.133 369 R CB 0.254 30.299 30.300 -0.426 0.000 1.020 369 R HN 0.602 nan 8.270 nan 0.000 0.475 370 A N 1.853 124.625 122.820 -0.079 0.000 1.969 370 A HA -0.058 4.270 4.320 0.013 0.000 0.218 370 A C 1.000 178.648 177.584 0.107 0.000 1.169 370 A CA 1.521 53.572 52.037 0.023 0.000 0.635 370 A CB -0.099 18.905 19.000 0.007 0.000 0.810 370 A HN 0.818 nan 8.150 nan 0.000 0.445 371 S N -4.575 111.069 115.700 -0.094 0.000 2.565 371 S HA 0.399 4.877 4.470 0.013 0.000 0.269 371 S C 0.175 174.344 174.600 -0.718 0.000 1.153 371 S CA -0.199 57.844 58.200 -0.262 0.000 0.835 371 S CB 0.318 63.458 63.200 -0.100 0.000 1.122 371 S HN 0.398 nan 8.310 nan 0.000 0.462 372 Y N 2.774 122.431 120.300 -1.070 0.000 2.207 372 Y HA 0.151 4.708 4.550 0.012 0.000 0.287 372 Y C 0.198 175.534 175.900 -0.942 0.000 1.156 372 Y CA 1.644 59.074 58.100 -1.117 0.000 1.182 372 Y CB -0.004 37.832 38.460 -1.040 0.000 0.979 372 Y HN 0.574 nan 8.280 nan 0.000 0.521 373 F N 1.664 121.396 119.950 -0.364 0.000 2.467 373 F HA 0.317 4.853 4.527 0.016 0.000 0.349 373 F C -0.039 175.457 175.800 -0.507 0.000 1.182 373 F CA -0.287 57.449 58.000 -0.439 0.000 1.279 373 F CB 0.069 38.819 39.000 -0.417 0.000 1.626 373 F HN -0.107 nan 8.300 nan 0.000 0.596 374 S N -0.268 115.217 115.700 -0.359 0.000 2.536 374 S HA 0.385 4.863 4.470 0.013 0.000 0.271 374 S C -1.188 173.353 174.600 -0.097 0.000 1.134 374 S CA -1.308 56.691 58.200 -0.336 0.000 0.897 374 S CB 1.645 64.675 63.200 -0.283 0.000 1.094 374 S HN 0.190 nan 8.310 nan 0.000 0.473 375 D N 2.824 123.310 120.400 0.143 0.000 2.525 375 D HA 0.198 4.846 4.640 0.013 0.000 0.235 375 D C 0.477 176.803 176.300 0.044 0.000 1.137 375 D CA 0.682 54.753 54.000 0.119 0.000 0.868 375 D CB 0.780 41.686 40.800 0.177 0.000 1.180 375 D HN 0.715 nan 8.370 nan 0.000 0.465 376 S N 1.674 117.377 115.700 0.006 0.000 2.554 376 S HA 0.617 5.095 4.470 0.013 0.000 0.278 376 S C 0.079 174.697 174.600 0.030 0.000 1.242 376 S CA -0.901 57.296 58.200 -0.005 0.000 1.051 376 S CB 1.405 64.576 63.200 -0.049 0.000 0.986 376 S HN 0.340 nan 8.310 nan 0.000 0.502 377 L N 1.756 123.001 121.223 0.037 0.000 2.299 377 L HA 0.639 4.987 4.340 0.013 0.000 0.268 377 L C -2.116 174.771 176.870 0.028 0.000 1.012 377 L CA -2.806 52.055 54.840 0.035 0.000 0.816 377 L CB 1.401 43.477 42.059 0.028 0.000 1.355 377 L HN 0.511 nan 8.230 nan 0.000 0.457 378 P HA 0.188 nan 4.420 nan 0.000 0.275 378 P C -2.711 174.591 177.300 0.003 0.000 1.227 378 P CA -1.244 61.871 63.100 0.025 0.000 0.781 378 P CB 0.330 32.048 31.700 0.031 0.000 0.906 379 P HA 0.116 nan 4.420 nan 0.000 0.275 379 P C -0.496 176.769 177.300 -0.058 0.000 1.266 379 P CA -0.137 62.952 63.100 -0.019 0.000 0.793 379 P CB 0.751 32.453 31.700 0.003 0.000 1.074 380 V N -3.442 116.419 119.914 -0.088 0.000 3.040 380 V HA 0.598 4.726 4.120 0.013 0.000 0.312 380 V C -0.472 175.504 176.094 -0.197 0.000 1.115 380 V CA -1.195 61.032 62.300 -0.121 0.000 0.998 380 V CB 2.000 33.710 31.823 -0.187 0.000 1.042 380 V HN 0.492 nan 8.190 nan 0.000 0.433 381 K N 2.252 122.509 120.400 -0.239 0.000 2.183 381 K HA 0.542 4.870 4.320 0.013 0.000 0.274 381 K C -1.028 175.374 176.600 -0.330 0.000 1.009 381 K CA -0.815 55.182 56.287 -0.483 0.000 0.888 381 K CB 1.283 33.473 32.500 -0.516 0.000 1.078 381 K HN 0.698 nan 8.250 nan 0.000 0.459 382 I N 5.422 125.787 120.570 -0.342 0.000 2.352 382 I HA 0.051 4.229 4.170 0.013 0.000 0.290 382 I C 1.249 177.275 176.117 -0.151 0.000 1.036 382 I CA 0.048 61.227 61.300 -0.201 0.000 1.336 382 I CB 1.165 39.116 38.000 -0.081 0.000 1.407 382 I HN 0.747 nan 8.210 nan 0.000 0.497 383 K N 3.953 124.293 120.400 -0.100 0.000 2.020 383 K HA -0.178 4.150 4.320 0.013 0.000 0.212 383 K C 0.536 177.121 176.600 -0.025 0.000 1.050 383 K CA 1.542 57.791 56.287 -0.063 0.000 0.929 383 K CB -0.013 32.457 32.500 -0.050 0.000 0.714 383 K HN 0.484 nan 8.250 nan 0.000 0.443 384 N N -0.537 118.167 118.700 0.007 0.000 2.932 384 N HA 0.105 4.853 4.740 0.013 0.000 0.242 384 N C -0.133 175.393 175.510 0.026 0.000 1.351 384 N CA -0.074 52.986 53.050 0.016 0.000 0.785 384 N CB 0.547 39.051 38.487 0.028 0.000 1.501 384 N HN -0.090 nan 8.380 nan 0.000 0.584 385 L N 1.772 122.972 121.223 -0.039 0.000 2.201 385 L HA 0.018 4.366 4.340 0.013 0.000 0.212 385 L C 1.518 178.398 176.870 0.016 0.000 1.105 385 L CA 0.978 55.745 54.840 -0.123 0.000 0.775 385 L CB -0.072 41.811 42.059 -0.293 0.000 0.913 385 L HN 0.536 nan 8.230 nan 0.000 0.440 386 L N -0.721 120.515 121.223 0.023 0.000 2.610 386 L HA 0.002 4.350 4.340 0.013 0.000 0.232 386 L C 0.368 177.272 176.870 0.056 0.000 1.149 386 L CA 0.035 54.900 54.840 0.042 0.000 0.872 386 L CB -0.421 41.654 42.059 0.026 0.000 0.992 386 L HN 0.125 nan 8.230 nan 0.000 0.447 387 D N 0.304 120.746 120.400 0.071 0.000 2.443 387 D HA 0.043 4.691 4.640 0.013 0.000 0.221 387 D C 0.857 177.212 176.300 0.091 0.000 1.097 387 D CA -0.176 53.868 54.000 0.072 0.000 0.865 387 D CB 0.608 41.452 40.800 0.072 0.000 1.034 387 D HN -0.058 nan 8.370 nan 0.000 0.511 388 N N 2.544 121.284 118.700 0.067 0.000 2.588 388 N HA -0.192 4.556 4.740 0.013 0.000 0.190 388 N C 1.199 176.745 175.510 0.060 0.000 1.094 388 N CA 0.492 53.576 53.050 0.056 0.000 0.921 388 N CB 0.307 38.813 38.487 0.032 0.000 0.959 388 N HN 0.555 nan 8.380 nan 0.000 0.448 389 E N 0.379 120.623 120.200 0.072 0.000 2.299 389 E HA 0.037 4.395 4.350 0.013 0.000 0.193 389 E C 1.489 178.159 176.600 0.117 0.000 0.998 389 E CA 0.613 57.059 56.400 0.077 0.000 0.851 389 E CB 0.126 29.865 29.700 0.065 0.000 0.795 389 E HN 0.146 nan 8.360 nan 0.000 0.492 390 I N -0.799 119.864 120.570 0.155 0.000 3.445 390 I HA 0.145 4.323 4.170 0.013 0.000 0.288 390 I C -0.205 176.109 176.117 0.328 0.000 1.198 390 I CA 0.373 61.827 61.300 0.256 0.000 1.417 390 I CB 0.026 38.181 38.000 0.258 0.000 1.205 390 I HN 0.018 nan 8.210 nan 0.000 0.448 391 Y N 1.468 121.780 120.300 0.020 0.000 2.401 391 Y HA 0.401 4.959 4.550 0.013 0.000 0.330 391 Y C -0.168 175.678 175.900 -0.090 0.000 1.071 391 Y CA -0.970 57.042 58.100 -0.147 0.000 1.049 391 Y CB 1.392 39.645 38.460 -0.344 0.000 1.239 391 Y HN 0.019 nan 8.280 nan 0.000 0.437 392 T N 2.561 116.852 114.554 -0.439 0.000 2.924 392 T HA 0.450 4.808 4.350 0.013 0.000 0.291 392 T C 0.948 175.422 174.700 -0.376 0.000 1.045 392 T CA -0.754 61.184 62.100 -0.270 0.000 1.015 392 T CB 1.475 70.257 68.868 -0.144 0.000 1.103 392 T HN 0.652 nan 8.240 nan 0.000 0.496 393 I N 0.505 120.978 120.570 -0.161 0.000 2.226 393 I HA -0.140 4.038 4.170 0.013 0.000 0.245 393 I C 2.421 178.481 176.117 -0.095 0.000 1.100 393 I CA 1.430 62.672 61.300 -0.096 0.000 1.374 393 I CB -0.250 37.736 38.000 -0.023 0.000 1.057 393 I HN 0.708 nan 8.210 nan 0.000 0.413 394 E N 0.785 120.930 120.200 -0.093 0.000 2.047 394 E HA -0.173 4.185 4.350 0.013 0.000 0.191 394 E C 1.559 178.111 176.600 -0.080 0.000 0.987 394 E CA 1.229 57.586 56.400 -0.071 0.000 0.799 394 E CB -0.008 29.656 29.700 -0.060 0.000 0.752 394 E HN 0.503 nan 8.360 nan 0.000 0.449 395 E N -1.043 119.082 120.200 -0.124 0.000 2.601 395 E HA 0.284 4.642 4.350 0.013 0.000 0.219 395 E C 0.791 177.293 176.600 -0.163 0.000 0.964 395 E CA 0.116 56.460 56.400 -0.094 0.000 1.050 395 E CB 1.161 30.830 29.700 -0.051 0.000 1.068 395 E HN 0.217 nan 8.360 nan 0.000 0.496 396 G N 1.731 110.256 108.800 -0.459 0.000 2.556 396 G HA2 -0.383 3.585 3.960 0.013 0.000 0.283 396 G HA3 -0.383 3.585 3.960 0.013 0.000 0.283 396 G C 0.485 175.076 174.900 -0.516 0.000 1.177 396 G CA 0.441 45.009 45.100 -0.886 0.000 0.978 396 G HN 0.253 nan 8.290 nan 0.000 0.554 397 F N 1.633 121.647 119.950 0.106 0.000 2.416 397 F HA 0.182 4.717 4.527 0.014 0.000 0.296 397 F C 1.830 177.720 175.800 0.149 0.000 1.099 397 F CA 0.693 58.844 58.000 0.251 0.000 1.427 397 F CB 0.063 39.312 39.000 0.415 0.000 1.079 397 F HN 0.124 nan 8.300 nan 0.000 0.536 398 N N 2.148 121.014 118.700 0.277 0.000 3.178 398 N HA 0.142 4.891 4.740 0.013 0.000 0.300 398 N C -0.424 175.142 175.510 0.094 0.000 1.242 398 N CA 0.287 53.445 53.050 0.180 0.000 1.192 398 N CB -0.293 38.299 38.487 0.174 0.000 1.463 398 N HN 0.224 nan 8.380 nan 0.000 0.539 399 I N 0.858 121.485 120.570 0.096 0.000 2.396 399 I HA -0.041 4.137 4.170 0.013 0.000 0.289 399 I C 1.742 177.884 176.117 0.041 0.000 1.056 399 I CA -0.250 61.080 61.300 0.051 0.000 1.365 399 I CB 0.858 38.893 38.000 0.058 0.000 1.407 399 I HN 0.238 nan 8.210 nan 0.000 0.509 400 S N 3.079 118.790 115.700 0.019 0.000 2.382 400 S HA -0.181 4.297 4.470 0.013 0.000 0.228 400 S C 1.221 175.831 174.600 0.015 0.000 1.027 400 S CA 0.953 59.160 58.200 0.012 0.000 0.991 400 S CB -0.176 63.023 63.200 -0.002 0.000 0.823 400 S HN 0.651 nan 8.310 nan 0.000 0.469 401 D N 1.768 122.178 120.400 0.016 0.000 2.384 401 D HA 0.007 4.655 4.640 0.013 0.000 0.222 401 D C 1.041 177.356 176.300 0.026 0.000 0.976 401 D CA 0.835 54.845 54.000 0.017 0.000 0.915 401 D CB -0.031 40.778 40.800 0.015 0.000 0.896 401 D HN 0.603 nan 8.370 nan 0.000 0.523 402 K N 0.334 120.756 120.400 0.036 0.000 2.469 402 K HA 0.029 4.357 4.320 0.013 0.000 0.204 402 K C -0.265 176.361 176.600 0.045 0.000 1.047 402 K CA -0.232 56.083 56.287 0.046 0.000 1.072 402 K CB 1.075 33.614 32.500 0.066 0.000 0.863 402 K HN -0.191 nan 8.250 nan 0.000 0.530 403 D N 1.258 121.678 120.400 0.033 0.000 2.708 403 D HA -0.195 4.453 4.640 0.013 0.000 0.236 403 D C 0.132 176.454 176.300 0.037 0.000 1.146 403 D CA 0.880 54.896 54.000 0.027 0.000 0.662 403 D CB -0.447 40.367 40.800 0.023 0.000 1.059 403 D HN 0.253 nan 8.370 nan 0.000 0.428 404 M N -0.707 118.923 119.600 0.049 0.000 2.502 404 M HA 0.102 4.590 4.480 0.013 0.000 0.351 404 M C 1.492 177.828 176.300 0.060 0.000 1.118 404 M CA -0.332 55.010 55.300 0.070 0.000 0.952 404 M CB 0.768 33.434 32.600 0.111 0.000 1.424 404 M HN 0.081 nan 8.290 nan 0.000 0.529 405 E N 2.025 122.238 120.200 0.022 0.000 2.042 405 E HA 0.047 4.405 4.350 0.013 0.000 0.189 405 E C 0.213 176.767 176.600 -0.078 0.000 0.974 405 E CA 0.747 57.140 56.400 -0.011 0.000 0.806 405 E CB 0.435 30.123 29.700 -0.019 0.000 0.769 405 E HN 0.392 nan 8.360 nan 0.000 0.451 406 K N 1.243 121.603 120.400 -0.068 0.000 2.448 406 K HA -0.040 4.288 4.320 0.013 0.000 0.278 406 K C 0.026 176.557 176.600 -0.115 0.000 1.009 406 K CA 0.427 56.651 56.287 -0.104 0.000 0.995 406 K CB 0.281 32.751 32.500 -0.051 0.000 0.917 406 K HN 0.087 nan 8.250 nan 0.000 0.481 407 E N 1.480 121.554 120.200 -0.211 0.000 2.660 407 E HA -0.288 4.070 4.350 0.013 0.000 0.260 407 E C -1.019 175.599 176.600 0.031 0.000 1.122 407 E CA 0.798 57.124 56.400 -0.125 0.000 0.755 407 E CB -1.684 28.041 29.700 0.041 0.000 1.345 407 E HN 0.695 nan 8.360 nan 0.000 0.421 408 Y N -3.081 117.269 120.300 0.084 0.000 3.825 408 Y HA -0.352 4.206 4.550 0.013 0.000 0.221 408 Y C 1.621 177.605 175.900 0.140 0.000 1.195 408 Y CA 1.009 59.172 58.100 0.105 0.000 1.699 408 Y CB -1.950 36.551 38.460 0.069 0.000 1.531 408 Y HN 0.207 nan 8.280 nan 0.000 0.640 409 R N 0.185 120.792 120.500 0.177 0.000 2.170 409 R HA -0.156 4.192 4.340 0.013 0.000 0.242 409 R C 2.429 178.786 176.300 0.095 0.000 1.145 409 R CA 1.322 57.496 56.100 0.122 0.000 0.984 409 R CB -0.520 29.828 30.300 0.080 0.000 0.869 409 R HN 0.633 nan 8.270 nan 0.000 0.455 410 G N 0.061 108.946 108.800 0.142 0.000 2.470 410 G HA2 -0.242 3.726 3.960 0.013 0.000 0.220 410 G HA3 -0.242 3.726 3.960 0.013 0.000 0.220 410 G C 1.071 175.975 174.900 0.006 0.000 1.121 410 G CA 0.302 45.514 45.100 0.187 0.000 0.766 410 G HN 0.378 nan 8.290 nan 0.000 0.553 411 Q N -0.373 119.308 119.800 -0.199 0.000 2.282 411 Q HA 0.115 4.463 4.340 0.013 0.000 0.206 411 Q C 0.317 175.714 176.000 -1.006 0.000 0.878 411 Q CA -0.503 54.711 55.803 -0.983 0.000 0.944 411 Q CB 0.414 28.907 28.738 -0.407 0.000 1.100 411 Q HN 0.237 nan 8.270 nan 0.000 0.509 412 N N 1.785 120.194 118.700 -0.484 0.000 2.442 412 N HA -0.003 4.745 4.740 0.013 0.000 0.265 412 N C 0.370 175.663 175.510 -0.362 0.000 1.138 412 N CA 0.375 53.028 53.050 -0.662 0.000 0.956 412 N CB 0.869 39.120 38.487 -0.393 0.000 1.067 412 N HN 0.084 nan 8.380 nan 0.000 0.474 413 K N 2.622 122.783 120.400 -0.398 0.000 2.097 413 K HA -0.112 4.216 4.320 0.013 0.000 0.206 413 K C 1.601 178.263 176.600 0.103 0.000 1.049 413 K CA 1.515 57.766 56.287 -0.061 0.000 0.933 413 K CB 0.047 32.433 32.500 -0.191 0.000 0.717 413 K HN 0.613 nan 8.250 nan 0.000 0.442 414 A N 0.711 123.500 122.820 -0.051 0.000 2.014 414 A HA -0.060 4.268 4.320 0.013 0.000 0.218 414 A C 1.940 179.541 177.584 0.028 0.000 1.163 414 A CA 1.099 53.138 52.037 0.003 0.000 0.652 414 A CB -0.273 18.705 19.000 -0.036 0.000 0.808 414 A HN 0.160 nan 8.150 nan 0.000 0.449 415 I N -1.547 119.031 120.570 0.014 0.000 2.685 415 I HA 0.016 4.194 4.170 0.013 0.000 0.251 415 I C 0.853 177.025 176.117 0.091 0.000 1.102 415 I CA 0.357 61.681 61.300 0.040 0.000 1.442 415 I CB -0.039 37.971 38.000 0.018 0.000 1.194 415 I HN 0.150 nan 8.210 nan 0.000 0.448 416 N N 1.840 120.633 118.700 0.155 0.000 3.209 416 N HA 0.073 4.821 4.740 0.013 0.000 0.309 416 N C 0.782 176.447 175.510 0.259 0.000 1.384 416 N CA 0.176 53.358 53.050 0.219 0.000 1.173 416 N CB 0.076 38.737 38.487 0.290 0.000 1.460 416 N HN 0.144 nan 8.380 nan 0.000 0.534 417 K N -0.292 120.171 120.400 0.104 0.000 2.209 417 K HA -0.130 4.198 4.320 0.013 0.000 0.204 417 K C 1.680 178.113 176.600 -0.278 0.000 1.048 417 K CA 0.869 57.060 56.287 -0.161 0.000 0.940 417 K CB 0.205 32.623 32.500 -0.138 0.000 0.729 417 K HN 0.464 nan 8.250 nan 0.000 0.451 418 Q N 0.189 119.934 119.800 -0.092 0.000 2.436 418 Q HA -0.028 4.320 4.340 0.013 0.000 0.209 418 Q C 1.547 177.510 176.000 -0.062 0.000 0.965 418 Q CA 1.328 57.085 55.803 -0.077 0.000 0.910 418 Q CB -0.053 28.682 28.738 -0.004 0.000 0.980 418 Q HN 0.236 nan 8.270 nan 0.000 0.491 419 A N 0.133 122.937 122.820 -0.027 0.000 2.132 419 A HA 0.217 4.545 4.320 0.013 0.000 0.213 419 A C 0.512 178.013 177.584 -0.138 0.000 1.154 419 A CA 0.428 52.468 52.037 0.006 0.000 0.753 419 A CB -0.107 18.953 19.000 0.100 0.000 0.826 419 A HN 0.556 nan 8.150 nan 0.000 0.469 420 Y N -3.124 116.980 120.300 -0.327 0.000 2.689 420 Y HA 0.785 5.343 4.550 0.014 0.000 0.333 420 Y C -1.087 174.675 175.900 -0.231 0.000 1.190 420 Y CA -1.606 56.264 58.100 -0.384 0.000 1.063 420 Y CB 0.786 38.845 38.460 -0.669 0.000 1.294 420 Y HN 0.018 nan 8.280 nan 0.000 0.466 421 E N 0.891 121.021 120.200 -0.116 0.000 2.292 421 E HA 0.236 4.594 4.350 0.013 0.000 0.272 421 E C -1.230 175.398 176.600 0.046 0.000 0.881 421 E CA -1.175 55.154 56.400 -0.117 0.000 0.754 421 E CB 2.411 32.053 29.700 -0.097 0.000 1.201 421 E HN 0.507 nan 8.360 nan 0.000 0.425 422 E N 1.453 121.684 120.200 0.051 0.000 2.409 422 E HA 0.229 4.587 4.350 0.013 0.000 0.257 422 E C -0.039 176.571 176.600 0.017 0.000 1.150 422 E CA 0.122 56.563 56.400 0.068 0.000 0.942 422 E CB 0.907 30.645 29.700 0.063 0.000 0.979 422 E HN 0.403 nan 8.360 nan 0.000 0.447 423 I N 0.753 121.321 120.570 -0.005 0.000 2.437 423 I HA 0.033 4.211 4.170 0.013 0.000 0.298 423 I C 0.708 176.853 176.117 0.047 0.000 0.984 423 I CA -0.559 60.725 61.300 -0.027 0.000 1.214 423 I CB 1.672 39.561 38.000 -0.186 0.000 1.365 423 I HN 0.259 nan 8.210 nan 0.000 0.469 424 S N 5.063 120.830 115.700 0.113 0.000 2.515 424 S HA 0.021 4.499 4.470 0.013 0.000 0.285 424 S C 1.218 175.845 174.600 0.044 0.000 1.265 424 S CA -0.320 57.912 58.200 0.052 0.000 1.079 424 S CB 0.357 63.548 63.200 -0.015 0.000 0.877 424 S HN 0.456 nan 8.310 nan 0.000 0.493 425 K N 4.216 124.623 120.400 0.013 0.000 2.360 425 K HA -0.070 4.258 4.320 0.013 0.000 0.201 425 K C 1.602 178.205 176.600 0.005 0.000 1.046 425 K CA 1.161 57.468 56.287 0.032 0.000 0.945 425 K CB -0.173 32.340 32.500 0.020 0.000 0.750 425 K HN 0.755 nan 8.250 nan 0.000 0.464 426 E N -0.213 119.924 120.200 -0.106 0.000 2.265 426 E HA -0.148 4.210 4.350 0.013 0.000 0.196 426 E C 0.983 177.527 176.600 -0.094 0.000 0.996 426 E CA 0.878 57.183 56.400 -0.157 0.000 0.832 426 E CB -0.133 29.399 29.700 -0.281 0.000 0.756 426 E HN 0.607 nan 8.360 nan 0.000 0.491 427 H N -0.798 118.359 119.070 0.145 0.000 2.551 427 H HA 0.215 4.779 4.556 0.013 0.000 0.271 427 H C 0.043 175.508 175.328 0.228 0.000 0.984 427 H CA -0.488 55.652 56.048 0.152 0.000 1.164 427 H CB 0.452 30.340 29.762 0.210 0.000 1.437 427 H HN -0.062 nan 8.280 nan 0.000 0.550 428 L N 1.248 122.650 121.223 0.298 0.000 2.309 428 L HA 0.624 4.972 4.340 0.013 0.000 0.282 428 L C -0.155 176.831 176.870 0.194 0.000 1.036 428 L CA -0.998 54.006 54.840 0.273 0.000 0.806 428 L CB 1.573 43.756 42.059 0.206 0.000 1.220 428 L HN 0.082 nan 8.230 nan 0.000 0.429 429 A N 3.499 126.455 122.820 0.226 0.000 2.343 429 A HA 0.823 5.151 4.320 0.013 0.000 0.316 429 A C -1.033 176.644 177.584 0.155 0.000 1.104 429 A CA -0.477 51.660 52.037 0.167 0.000 0.768 429 A CB 1.687 20.801 19.000 0.190 0.000 1.213 429 A HN 0.397 nan 8.150 nan 0.000 0.456 430 V N 2.314 122.298 119.914 0.116 0.000 2.686 430 V HA 0.253 4.381 4.120 0.013 0.000 0.306 430 V C -1.091 175.083 176.094 0.134 0.000 1.065 430 V CA -0.594 61.778 62.300 0.121 0.000 0.894 430 V CB 1.790 33.664 31.823 0.086 0.000 1.004 430 V HN 0.845 nan 8.190 nan 0.000 0.424 431 Y N 5.274 125.591 120.300 0.028 0.000 2.537 431 Y HA 0.388 4.946 4.550 0.013 0.000 0.339 431 Y C 0.290 176.192 175.900 0.003 0.000 1.066 431 Y CA 0.032 58.140 58.100 0.013 0.000 1.357 431 Y CB 0.253 38.725 38.460 0.020 0.000 1.175 431 Y HN 0.563 nan 8.280 nan 0.000 0.525 432 K N 6.533 126.684 120.400 -0.416 0.000 2.267 432 K HA 0.529 4.857 4.320 0.013 0.000 0.246 432 K C -1.361 174.908 176.600 -0.551 0.000 0.954 432 K CA -1.078 54.980 56.287 -0.383 0.000 0.824 432 K CB 1.960 34.341 32.500 -0.198 0.000 1.167 432 K HN 0.452 nan 8.250 nan 0.000 0.431 433 I N 2.477 122.810 120.570 -0.396 0.000 2.330 433 I HA 0.142 4.320 4.170 0.013 0.000 0.289 433 I C -0.163 175.803 176.117 -0.252 0.000 1.001 433 I CA -0.309 60.793 61.300 -0.330 0.000 1.193 433 I CB 1.335 39.179 38.000 -0.260 0.000 1.345 433 I HN 0.648 nan 8.210 nan 0.000 0.461 434 Q N 7.199 126.859 119.800 -0.234 0.000 2.377 434 Q HA 0.378 4.726 4.340 0.013 0.000 0.249 434 Q C -0.873 174.968 176.000 -0.265 0.000 1.005 434 Q CA -0.394 55.270 55.803 -0.231 0.000 0.912 434 Q CB 0.742 29.352 28.738 -0.214 0.000 1.223 434 Q HN 0.538 nan 8.270 nan 0.000 0.459 435 M N 3.957 123.405 119.600 -0.253 0.000 2.135 435 M HA 0.260 4.748 4.480 0.013 0.000 0.345 435 M C -1.005 175.109 176.300 -0.310 0.000 1.340 435 M CA -0.472 54.668 55.300 -0.268 0.000 1.162 435 M CB 0.369 32.858 32.600 -0.184 0.000 1.570 435 M HN 0.582 nan 8.290 nan 0.000 0.454 436 C N 3.080 122.114 119.300 -0.444 0.000 2.376 436 C HA 0.500 4.968 4.460 0.013 0.000 0.335 436 C C 0.513 175.317 174.990 -0.311 0.000 1.229 436 C CA -1.171 57.574 59.018 -0.455 0.000 1.867 436 C CB 1.082 28.360 27.740 -0.769 0.000 2.319 436 C HN 0.734 nan 8.230 nan 0.000 0.515 437 K N 1.080 121.390 120.400 -0.150 0.000 2.098 437 K HA 0.339 4.667 4.320 0.013 0.000 0.261 437 K C 0.383 177.025 176.600 0.070 0.000 0.987 437 K CA -0.029 56.240 56.287 -0.031 0.000 0.916 437 K CB 0.885 33.369 32.500 -0.026 0.000 1.039 437 K HN 0.791 nan 8.250 nan 0.000 0.455 438 S N 0.697 116.464 115.700 0.111 0.000 4.117 438 S HA 0.186 4.664 4.470 0.013 0.000 0.191 438 S C 0.098 174.741 174.600 0.071 0.000 1.308 438 S CA -0.634 57.644 58.200 0.129 0.000 0.906 438 S CB -0.879 62.371 63.200 0.083 0.000 1.565 438 S HN 0.284 nan 8.310 nan 0.000 0.439 444 I N -0.042 120.491 120.570 -0.061 0.000 2.460 444 I HA 0.800 4.978 4.170 0.013 0.000 0.298 444 I C -0.361 175.680 176.117 -0.127 0.000 0.989 444 I CA -1.009 60.243 61.300 -0.079 0.000 1.173 444 I CB 1.318 39.280 38.000 -0.064 0.000 1.338 444 I HN 0.589 nan 8.210 nan 0.000 0.456 445 C N 7.256 126.462 119.300 -0.156 0.000 2.547 445 C HA 0.629 5.097 4.460 0.013 0.000 0.313 445 C C -0.289 174.526 174.990 -0.291 0.000 1.191 445 C CA -0.966 57.923 59.018 -0.216 0.000 1.474 445 C CB 0.762 28.383 27.740 -0.198 0.000 2.081 445 C HN 0.585 nan 8.230 nan 0.000 0.476 446 I N 2.430 122.794 120.570 -0.344 0.000 2.433 446 I HA 0.308 4.486 4.170 0.013 0.000 0.292 446 I C -0.746 175.199 176.117 -0.287 0.000 1.001 446 I CA -0.093 60.926 61.300 -0.469 0.000 1.119 446 I CB 1.475 39.125 38.000 -0.583 0.000 1.289 446 I HN 0.565 nan 8.210 nan 0.000 0.438 447 D N 6.068 126.332 120.400 -0.227 0.000 2.249 447 D HA 0.393 5.041 4.640 0.013 0.000 0.246 447 D C -0.644 175.587 176.300 -0.114 0.000 1.114 447 D CA -0.034 53.871 54.000 -0.158 0.000 0.854 447 D CB 2.497 43.230 40.800 -0.112 0.000 1.132 447 D HN 0.048 nan 8.370 nan 0.000 0.461 448 V N 2.984 122.814 119.914 -0.140 0.000 2.531 448 V HA 0.118 4.246 4.120 0.013 0.000 0.301 448 V C -0.166 175.857 176.094 -0.118 0.000 1.034 448 V CA -1.046 61.190 62.300 -0.108 0.000 0.865 448 V CB 2.191 33.883 31.823 -0.219 0.000 0.995 448 V HN 0.373 nan 8.190 nan 0.000 0.424 449 D N 3.045 123.419 120.400 -0.043 0.000 2.424 449 D HA 0.005 4.653 4.640 0.013 0.000 0.244 449 D C 1.111 177.401 176.300 -0.017 0.000 1.134 449 D CA 0.299 54.283 54.000 -0.026 0.000 0.881 449 D CB 0.819 41.637 40.800 0.030 0.000 1.191 449 D HN 0.635 nan 8.370 nan 0.000 0.445 450 N N 2.003 120.703 118.700 -0.001 0.000 2.137 450 N HA -0.227 4.521 4.740 0.013 0.000 0.190 450 N C 1.043 176.623 175.510 0.117 0.000 1.017 450 N CA 1.500 54.600 53.050 0.084 0.000 0.859 450 N CB 0.193 38.870 38.487 0.316 0.000 1.002 450 N HN 0.327 nan 8.380 nan 0.000 0.428 451 E N -0.181 120.084 120.200 0.109 0.000 2.160 451 E HA -0.135 4.223 4.350 0.013 0.000 0.195 451 E C 1.089 177.753 176.600 0.107 0.000 0.991 451 E CA 1.349 57.812 56.400 0.106 0.000 0.810 451 E CB -0.167 29.582 29.700 0.081 0.000 0.742 451 E HN 0.540 nan 8.360 nan 0.000 0.466 452 D N -0.165 120.289 120.400 0.090 0.000 2.312 452 D HA -0.010 4.638 4.640 0.013 0.000 0.211 452 D C 0.426 176.793 176.300 0.112 0.000 0.964 452 D CA 0.381 54.438 54.000 0.095 0.000 0.877 452 D CB 0.133 41.005 40.800 0.119 0.000 0.924 452 D HN 0.114 nan 8.370 nan 0.000 0.515 453 L N -0.217 121.081 121.223 0.127 0.000 2.470 453 L HA 0.181 4.529 4.340 0.013 0.000 0.243 453 L C 0.105 177.073 176.870 0.162 0.000 1.227 453 L CA -0.490 54.477 54.840 0.212 0.000 0.824 453 L CB 0.096 42.261 42.059 0.177 0.000 1.175 453 L HN -0.130 nan 8.230 nan 0.000 0.503 454 F N 0.318 120.445 119.950 0.295 0.000 2.424 454 F HA 0.200 4.740 4.527 0.021 0.000 0.356 454 F C 0.144 176.058 175.800 0.190 0.000 1.110 454 F CA -0.191 57.950 58.000 0.236 0.000 1.161 454 F CB 0.319 39.448 39.000 0.215 0.000 1.115 454 F HN 0.082 nan 8.300 nan 0.000 0.507 455 F N 5.711 125.806 119.950 0.241 0.000 2.421 455 F HA 0.551 5.086 4.527 0.013 0.000 0.358 455 F C -0.490 175.369 175.800 0.098 0.000 1.115 455 F CA -0.594 57.496 58.000 0.150 0.000 1.160 455 F CB 0.116 39.201 39.000 0.142 0.000 1.123 455 F HN 0.262 nan 8.300 nan 0.000 0.508 456 I N 7.076 127.361 120.570 -0.475 0.000 2.493 456 I HA 0.333 4.511 4.170 0.013 0.000 0.279 456 I C -0.075 175.760 176.117 -0.471 0.000 1.045 456 I CA -0.912 60.215 61.300 -0.288 0.000 1.106 456 I CB 1.321 39.228 38.000 -0.155 0.000 1.216 456 I HN 0.738 nan 8.210 nan 0.000 0.459 457 A N 4.979 127.606 122.820 -0.323 0.000 2.540 457 A HA 0.015 4.343 4.320 0.013 0.000 0.239 457 A C 0.139 177.697 177.584 -0.043 0.000 1.061 457 A CA 0.239 52.172 52.037 -0.173 0.000 0.758 457 A CB 0.175 19.263 19.000 0.148 0.000 0.991 457 A HN 0.771 nan 8.150 nan 0.000 0.502 458 D N 1.380 121.716 120.400 -0.107 0.000 2.313 458 D HA 0.061 4.709 4.640 0.013 0.000 0.247 458 D C 1.023 177.354 176.300 0.052 0.000 1.094 458 D CA -0.269 53.710 54.000 -0.035 0.000 0.925 458 D CB 0.858 41.607 40.800 -0.085 0.000 1.188 458 D HN 0.617 nan 8.370 nan 0.000 0.430 459 K N 2.258 122.749 120.400 0.152 0.000 2.160 459 K HA -0.165 4.163 4.320 0.013 0.000 0.206 459 K C 1.279 177.964 176.600 0.142 0.000 1.047 459 K CA 1.020 57.463 56.287 0.260 0.000 0.930 459 K CB 0.098 32.706 32.500 0.180 0.000 0.720 459 K HN 0.385 nan 8.250 nan 0.000 0.450 460 N N 0.380 119.083 118.700 0.005 0.000 2.519 460 N HA -0.081 4.667 4.740 0.013 0.000 0.186 460 N C 1.262 176.671 175.510 -0.169 0.000 1.062 460 N CA 0.805 53.827 53.050 -0.047 0.000 0.910 460 N CB 0.016 38.476 38.487 -0.046 0.000 0.958 460 N HN 0.124 nan 8.380 nan 0.000 0.445 461 S N 0.098 115.554 115.700 -0.407 0.000 2.474 461 S HA 0.023 4.501 4.470 0.013 0.000 0.235 461 S C 0.321 174.419 174.600 -0.838 0.000 0.997 461 S CA 0.642 58.410 58.200 -0.719 0.000 0.949 461 S CB -0.055 62.480 63.200 -1.108 0.000 0.766 461 S HN 0.202 nan 8.310 nan 0.000 0.517 462 F N 1.072 121.039 119.950 0.028 0.000 2.443 462 F HA 0.485 5.020 4.527 0.013 0.000 0.335 462 F C 0.580 176.391 175.800 0.019 0.000 1.104 462 F CA -1.119 56.897 58.000 0.027 0.000 1.013 462 F CB 1.020 40.036 39.000 0.025 0.000 1.136 462 F HN -0.205 nan 8.300 nan 0.000 0.470 463 S N 0.667 116.469 115.700 0.169 0.000 2.562 463 S HA 0.002 4.480 4.470 0.013 0.000 0.281 463 S C 0.305 174.959 174.600 0.089 0.000 1.333 463 S CA -0.302 57.958 58.200 0.099 0.000 1.052 463 S CB 0.417 63.667 63.200 0.083 0.000 0.884 463 S HN 0.732 nan 8.310 nan 0.000 0.506 464 D N 1.722 122.155 120.400 0.056 0.000 2.463 464 D HA 0.217 4.865 4.640 0.013 0.000 0.224 464 D C 0.465 176.775 176.300 0.016 0.000 1.174 464 D CA -0.167 53.854 54.000 0.035 0.000 0.829 464 D CB 0.045 40.864 40.800 0.032 0.000 0.993 464 D HN 0.516 nan 8.370 nan 0.000 0.497 465 D N 0.013 120.423 120.400 0.018 0.000 2.265 465 D HA -0.119 4.529 4.640 0.013 0.000 0.208 465 D C 1.962 178.254 176.300 -0.013 0.000 0.977 465 D CA 0.496 54.499 54.000 0.006 0.000 0.871 465 D CB 0.203 41.010 40.800 0.011 0.000 0.925 465 D HN 0.405 nan 8.370 nan 0.000 0.485 466 L N 0.816 122.022 121.223 -0.029 0.000 2.275 466 L HA -0.111 4.237 4.340 0.013 0.000 0.215 466 L C 2.255 179.090 176.870 -0.057 0.000 1.119 466 L CA 0.850 55.651 54.840 -0.065 0.000 0.790 466 L CB -0.288 41.709 42.059 -0.104 0.000 0.919 466 L HN 0.045 nan 8.230 nan 0.000 0.443 467 S N -1.550 114.133 115.700 -0.029 0.000 2.561 467 S HA 0.004 4.482 4.470 0.013 0.000 0.225 467 S C 0.833 175.441 174.600 0.012 0.000 0.977 467 S CA -0.071 58.122 58.200 -0.011 0.000 0.926 467 S CB -0.135 63.063 63.200 -0.004 0.000 0.769 467 S HN 0.270 nan 8.310 nan 0.000 0.533 468 K N 2.110 122.516 120.400 0.010 0.000 2.154 468 K HA 0.281 4.609 4.320 0.013 0.000 0.264 468 K C -0.243 176.380 176.600 0.038 0.000 1.008 468 K CA -0.624 55.674 56.287 0.019 0.000 0.937 468 K CB 0.307 32.811 32.500 0.007 0.000 1.002 468 K HN 0.221 nan 8.250 nan 0.000 0.469 469 N N 2.317 121.042 118.700 0.043 0.000 2.482 469 N HA 0.040 4.788 4.740 0.013 0.000 0.260 469 N C -0.448 175.062 175.510 0.000 0.000 1.236 469 N CA 0.325 53.411 53.050 0.061 0.000 0.938 469 N CB 0.729 39.247 38.487 0.051 0.000 1.128 469 N HN 0.422 nan 8.380 nan 0.000 0.448 470 E N 1.383 121.556 120.200 -0.045 0.000 2.224 470 E HA 0.250 4.608 4.350 0.013 0.000 0.265 470 E C -0.497 175.946 176.600 -0.262 0.000 0.878 470 E CA -0.506 55.756 56.400 -0.230 0.000 0.759 470 E CB 2.101 31.494 29.700 -0.512 0.000 1.164 470 E HN 0.259 nan 8.360 nan 0.000 0.414 471 R N 2.798 123.187 120.500 -0.184 0.000 2.234 471 R HA 0.366 4.714 4.340 0.013 0.000 0.324 471 R C 0.080 176.278 176.300 -0.170 0.000 1.054 471 R CA -0.575 55.443 56.100 -0.136 0.000 0.912 471 R CB 0.751 31.008 30.300 -0.072 0.000 1.030 471 R HN 0.326 nan 8.270 nan 0.000 0.455 472 I N 2.797 123.273 120.570 -0.158 0.000 2.385 472 I HA 0.336 4.514 4.170 0.013 0.000 0.294 472 I C 0.344 176.459 176.117 -0.004 0.000 0.988 472 I CA -0.250 60.978 61.300 -0.120 0.000 1.265 472 I CB 1.430 39.362 38.000 -0.113 0.000 1.388 472 I HN 0.605 nan 8.210 nan 0.000 0.480 473 E N 2.776 123.004 120.200 0.047 0.000 2.433 473 E HA 0.192 4.550 4.350 0.013 0.000 0.278 473 E C -0.189 176.509 176.600 0.162 0.000 0.976 473 E CA -0.593 55.931 56.400 0.207 0.000 0.793 473 E CB 1.948 31.750 29.700 0.171 0.000 1.311 473 E HN 0.550 nan 8.360 nan 0.000 0.460 474 Y N 0.493 120.861 120.300 0.114 0.000 2.465 474 Y HA -0.161 4.397 4.550 0.013 0.000 0.289 474 Y C 1.089 176.977 175.900 -0.020 0.000 1.150 474 Y CA 1.581 59.657 58.100 -0.039 0.000 1.293 474 Y CB -0.380 37.911 38.460 -0.280 0.000 0.977 474 Y HN 0.383 nan 8.280 nan 0.000 0.556 475 N N 0.140 118.435 118.700 -0.674 0.000 2.187 475 N HA -0.066 4.682 4.740 0.013 0.000 0.190 475 N C -0.041 175.334 175.510 -0.225 0.000 1.052 475 N CA 0.927 53.639 53.050 -0.564 0.000 0.863 475 N CB -0.326 37.843 38.487 -0.529 0.000 1.041 475 N HN 0.085 nan 8.380 nan 0.000 0.447 476 T N 2.388 116.849 114.554 -0.154 0.000 2.196 476 T HA -0.190 4.168 4.350 0.013 0.000 0.176 476 T C -0.210 174.455 174.700 -0.058 0.000 1.047 476 T CA 0.862 62.907 62.100 -0.091 0.000 1.355 476 T CB -0.441 68.379 68.868 -0.079 0.000 0.970 476 T HN 0.315 nan 8.240 nan 0.000 0.419 477 Q N 1.330 121.104 119.800 -0.043 0.000 2.458 477 Q HA 0.669 5.017 4.340 0.013 0.000 0.282 477 Q C -0.128 175.877 176.000 0.008 0.000 1.106 477 Q CA -1.227 54.572 55.803 -0.006 0.000 0.814 477 Q CB 1.602 30.339 28.738 -0.002 0.000 1.425 477 Q HN 0.608 nan 8.270 nan 0.000 0.437 478 S N 1.566 117.301 115.700 0.058 0.000 2.572 478 S HA 0.223 4.702 4.470 0.013 0.000 0.279 478 S C -0.392 174.239 174.600 0.050 0.000 1.341 478 S CA -0.448 57.805 58.200 0.088 0.000 1.043 478 S CB 0.066 63.435 63.200 0.281 0.000 0.887 478 S HN 0.649 nan 8.310 nan 0.000 0.516 479 N N 2.251 120.895 118.700 -0.093 0.000 2.617 479 N HA 0.309 5.057 4.740 0.013 0.000 0.263 479 N C -1.930 173.443 175.510 -0.229 0.000 1.074 479 N CA -0.223 52.761 53.050 -0.109 0.000 0.841 479 N CB 0.887 39.299 38.487 -0.125 0.000 1.221 479 N HN 0.641 nan 8.380 nan 0.000 0.529 480 Y N 0.690 120.958 120.300 -0.053 0.000 2.409 480 Y HA 0.559 5.117 4.550 0.013 0.000 0.343 480 Y C 0.385 176.232 175.900 -0.089 0.000 0.973 480 Y CA -0.760 57.316 58.100 -0.041 0.000 1.064 480 Y CB 2.144 40.593 38.460 -0.018 0.000 1.207 480 Y HN 0.257 nan 8.280 nan 0.000 0.452 481 I N 2.711 123.320 120.570 0.065 0.000 2.354 481 I HA 0.214 4.392 4.170 0.013 0.000 0.286 481 I C -0.493 175.611 176.117 -0.023 0.000 1.007 481 I CA -0.849 60.450 61.300 -0.003 0.000 1.167 481 I CB 1.485 39.490 38.000 0.010 0.000 1.320 481 I HN 0.533 nan 8.210 nan 0.000 0.458 482 E N 5.635 125.806 120.200 -0.049 0.000 2.104 482 E HA 0.086 4.444 4.350 0.013 0.000 0.278 482 E C 0.059 176.390 176.600 -0.449 0.000 1.127 482 E CA -0.030 56.280 56.400 -0.150 0.000 0.897 482 E CB 0.229 29.881 29.700 -0.080 0.000 1.043 482 E HN 0.308 nan 8.360 nan 0.000 0.410 483 N N 3.832 122.138 118.700 -0.657 0.000 2.747 483 N HA 0.038 4.786 4.740 0.013 0.000 0.252 483 N C -1.124 173.910 175.510 -0.794 0.000 1.352 483 N CA 0.289 52.525 53.050 -1.357 0.000 0.960 483 N CB -0.133 37.948 38.487 -0.677 0.000 1.303 483 N HN 0.437 nan 8.380 nan 0.000 0.518 484 D N -0.728 119.403 120.400 -0.448 0.000 2.661 484 D HA 0.507 5.155 4.640 0.013 0.000 0.228 484 D C -1.710 174.671 176.300 0.134 0.000 1.183 484 D CA -0.647 53.295 54.000 -0.097 0.000 0.844 484 D CB 1.213 41.951 40.800 -0.104 0.000 1.555 484 D HN -0.088 nan 8.370 nan 0.000 0.453 485 F N 2.790 122.733 119.950 -0.011 0.000 2.689 485 F HA 0.380 4.915 4.527 0.013 0.000 0.332 485 F C -2.322 173.448 175.800 -0.050 0.000 1.209 485 F CA -1.670 56.327 58.000 -0.007 0.000 1.028 485 F CB 2.026 41.037 39.000 0.019 0.000 1.291 485 F HN 0.079 nan 8.300 nan 0.000 0.500 486 P HA 0.010 nan 4.420 nan 0.000 0.258 486 P C 0.968 178.139 177.300 -0.216 0.000 1.214 486 P CA 0.258 63.166 63.100 -0.319 0.000 0.872 486 P CB 0.659 32.137 31.700 -0.369 0.000 0.890 487 I N 4.418 124.951 120.570 -0.061 0.000 2.423 487 I HA -0.292 3.886 4.170 0.013 0.000 0.254 487 I C 1.613 177.699 176.117 -0.053 0.000 1.151 487 I CA 1.560 62.845 61.300 -0.024 0.000 1.421 487 I CB -0.605 37.374 38.000 -0.035 0.000 1.079 487 I HN 0.170 nan 8.210 nan 0.000 0.431 488 N N 0.605 119.260 118.700 -0.075 0.000 2.120 488 N HA -0.243 4.505 4.740 0.013 0.000 0.188 488 N C 1.748 177.218 175.510 -0.067 0.000 1.024 488 N CA 1.754 54.763 53.050 -0.068 0.000 0.852 488 N CB -0.288 38.156 38.487 -0.071 0.000 1.003 488 N HN 0.672 nan 8.380 nan 0.000 0.424 489 E N 0.422 120.560 120.200 -0.104 0.000 2.072 489 E HA -0.141 4.217 4.350 0.013 0.000 0.190 489 E C 1.893 178.487 176.600 -0.009 0.000 0.982 489 E CA 0.655 57.005 56.400 -0.085 0.000 0.803 489 E CB -0.460 29.140 29.700 -0.167 0.000 0.755 489 E HN 0.192 nan 8.360 nan 0.000 0.453 490 L N 1.394 122.648 121.223 0.051 0.000 2.081 490 L HA -0.149 4.199 4.340 0.013 0.000 0.212 490 L C 2.229 179.112 176.870 0.021 0.000 1.080 490 L CA 1.701 56.617 54.840 0.126 0.000 0.754 490 L CB -0.248 41.874 42.059 0.104 0.000 0.893 490 L HN 0.275 nan 8.230 nan 0.000 0.433 491 I N -1.309 119.255 120.570 -0.009 0.000 2.676 491 I HA -0.215 3.963 4.170 0.013 0.000 0.259 491 I C 1.488 177.606 176.117 0.003 0.000 1.194 491 I CA 0.808 62.104 61.300 -0.007 0.000 1.473 491 I CB -0.091 37.896 38.000 -0.023 0.000 1.096 491 I HN 0.212 nan 8.210 nan 0.000 0.443 492 L N -0.359 120.864 121.223 -0.000 0.000 2.857 492 L HA 0.202 4.550 4.340 0.013 0.000 0.249 492 L C -0.006 176.873 176.870 0.014 0.000 1.172 492 L CA -0.224 54.617 54.840 0.001 0.000 0.980 492 L CB -0.189 41.862 42.059 -0.013 0.000 1.299 492 L HN 0.018 nan 8.230 nan 0.000 0.535 493 D N 0.222 120.641 120.400 0.032 0.000 2.382 493 D HA -0.004 4.644 4.640 0.013 0.000 0.259 493 D C 1.289 177.614 176.300 0.043 0.000 1.224 493 D CA 0.360 54.389 54.000 0.048 0.000 0.894 493 D CB 1.182 42.030 40.800 0.080 0.000 1.127 493 D HN -0.035 nan 8.370 nan 0.000 0.487 494 T N 2.358 116.934 114.554 0.037 0.000 2.904 494 T HA -0.093 4.265 4.350 0.013 0.000 0.267 494 T C 0.679 175.402 174.700 0.038 0.000 1.059 494 T CA 0.790 62.910 62.100 0.033 0.000 1.137 494 T CB 0.109 68.993 68.868 0.027 0.000 0.879 494 T HN 0.460 nan 8.240 nan 0.000 0.467 495 D N 0.246 120.675 120.400 0.048 0.000 2.462 495 D HA 0.209 4.857 4.640 0.013 0.000 0.221 495 D C 1.452 177.787 176.300 0.057 0.000 1.173 495 D CA -0.135 53.895 54.000 0.051 0.000 0.831 495 D CB 0.521 41.355 40.800 0.057 0.000 1.001 495 D HN 0.186 nan 8.370 nan 0.000 0.499 496 L N 0.714 121.973 121.223 0.061 0.000 1.976 496 L HA -0.043 4.305 4.340 0.013 0.000 0.209 496 L C 0.537 177.442 176.870 0.057 0.000 1.071 496 L CA 1.545 56.424 54.840 0.065 0.000 0.746 496 L CB -0.058 42.047 42.059 0.078 0.000 0.890 496 L HN -0.141 nan 8.230 nan 0.000 0.432 497 I N 0.546 121.147 120.570 0.053 0.000 2.529 497 I HA 0.067 4.245 4.170 0.013 0.000 0.284 497 I C 0.777 176.910 176.117 0.028 0.000 1.082 497 I CA 0.183 61.508 61.300 0.041 0.000 1.406 497 I CB 0.243 38.266 38.000 0.038 0.000 1.405 497 I HN 0.171 nan 8.210 nan 0.000 0.548 498 S N 5.760 121.470 115.700 0.017 0.000 2.549 498 S HA 0.089 4.567 4.470 0.013 0.000 0.286 498 S C 0.857 175.452 174.600 -0.008 0.000 1.314 498 S CA -0.244 57.956 58.200 0.000 0.000 1.062 498 S CB 0.184 63.371 63.200 -0.023 0.000 0.865 498 S HN 0.733 nan 8.310 nan 0.000 0.498 499 K N 3.870 124.265 120.400 -0.008 0.000 2.506 499 K HA 0.293 4.621 4.320 0.013 0.000 0.204 499 K C -0.402 176.184 176.600 -0.023 0.000 1.045 499 K CA -0.545 55.736 56.287 -0.011 0.000 1.074 499 K CB 0.151 32.652 32.500 0.001 0.000 0.842 499 K HN 0.362 nan 8.250 nan 0.000 0.514 500 I N 2.487 123.034 120.570 -0.039 0.000 2.396 500 I HA 0.155 4.333 4.170 0.013 0.000 0.292 500 I C 0.559 176.620 176.117 -0.094 0.000 0.999 500 I CA -0.880 60.384 61.300 -0.060 0.000 1.310 500 I CB 1.187 39.145 38.000 -0.069 0.000 1.404 500 I HN 0.309 nan 8.210 nan 0.000 0.496 501 E N 4.100 124.239 120.200 -0.101 0.000 2.652 501 E HA -0.074 4.284 4.350 0.013 0.000 0.255 501 E C -0.863 175.627 176.600 -0.184 0.000 0.952 501 E CA -0.328 55.999 56.400 -0.121 0.000 0.947 501 E CB 0.574 30.207 29.700 -0.112 0.000 0.912 501 E HN 0.328 nan 8.360 nan 0.000 0.489 502 L N 7.730 128.856 121.223 -0.162 0.000 2.313 502 L HA 0.320 4.668 4.340 0.013 0.000 0.282 502 L C -2.262 174.474 176.870 -0.224 0.000 1.092 502 L CA -1.558 53.161 54.840 -0.200 0.000 0.831 502 L CB 0.705 42.687 42.059 -0.128 0.000 1.159 502 L HN 0.493 nan 8.230 nan 0.000 0.442 503 P HA 0.137 nan 4.420 nan 0.000 0.269 503 P C -0.947 176.286 177.300 -0.112 0.000 1.217 503 P CA -0.247 62.643 63.100 -0.350 0.000 0.783 503 P CB 0.370 31.598 31.700 -0.787 0.000 0.898 504 S N 0.180 115.875 115.700 -0.007 0.000 2.572 504 S HA 0.032 4.510 4.470 0.013 0.000 0.279 504 S C 1.067 175.800 174.600 0.222 0.000 1.341 504 S CA -0.174 58.076 58.200 0.084 0.000 1.043 504 S CB 0.512 63.763 63.200 0.084 0.000 0.887 504 S HN 0.613 nan 8.310 nan 0.000 0.516 505 E N 1.884 122.215 120.200 0.218 0.000 2.230 505 E HA -0.040 4.318 4.350 0.013 0.000 0.192 505 E C 0.044 176.760 176.600 0.194 0.000 0.987 505 E CA -0.006 56.588 56.400 0.323 0.000 0.841 505 E CB -0.179 29.673 29.700 0.253 0.000 0.783 505 E HN 0.548 nan 8.360 nan 0.000 0.481 506 N N 1.281 120.047 118.700 0.109 0.000 2.492 506 N HA 0.095 4.843 4.740 0.013 0.000 0.260 506 N C -0.338 175.142 175.510 -0.050 0.000 1.215 506 N CA 0.657 53.708 53.050 0.001 0.000 0.923 506 N CB 1.606 40.104 38.487 0.019 0.000 1.092 506 N HN 0.191 nan 8.380 nan 0.000 0.448 507 T N -0.226 114.216 114.554 -0.187 0.000 2.653 507 T HA 0.130 4.488 4.350 0.013 0.000 0.306 507 T C -1.443 173.146 174.700 -0.184 0.000 1.426 507 T CA -0.646 61.323 62.100 -0.217 0.000 1.008 507 T CB 0.605 69.117 68.868 -0.593 0.000 1.692 507 T HN 0.235 nan 8.240 nan 0.000 0.483 508 E N 2.048 122.154 120.200 -0.156 0.000 2.392 508 E HA 0.290 4.648 4.350 0.013 0.000 0.264 508 E C 0.283 176.792 176.600 -0.152 0.000 1.024 508 E CA 0.039 56.369 56.400 -0.117 0.000 0.903 508 E CB 1.043 30.694 29.700 -0.083 0.000 0.963 508 E HN 0.694 nan 8.360 nan 0.000 0.432 509 S N 2.034 117.668 115.700 -0.110 0.000 2.568 509 S HA 0.100 4.578 4.470 0.013 0.000 0.282 509 S C 0.272 174.779 174.600 -0.156 0.000 1.338 509 S CA -0.819 57.316 58.200 -0.108 0.000 1.045 509 S CB 0.587 63.762 63.200 -0.041 0.000 0.873 509 S HN 0.409 nan 8.310 nan 0.000 0.516 510 L N 2.774 123.869 121.223 -0.214 0.000 2.380 510 L HA 0.387 4.735 4.340 0.013 0.000 0.273 510 L C 1.246 177.776 176.870 -0.566 0.000 1.138 510 L CA 0.922 55.535 54.840 -0.378 0.000 0.832 510 L CB 0.970 42.761 42.059 -0.446 0.000 1.124 510 L HN 1.066 nan 8.230 nan 0.000 0.454 511 T N -1.214 113.029 114.554 -0.518 0.000 2.959 511 T HA 0.189 4.547 4.350 0.013 0.000 0.254 511 T C 0.274 174.695 174.700 -0.465 0.000 1.003 511 T CA 0.056 61.906 62.100 -0.417 0.000 0.950 511 T CB -0.131 68.654 68.868 -0.138 0.000 1.090 511 T HN 0.528 nan 8.240 nan 0.000 0.503 512 D N 0.933 121.054 120.400 -0.465 0.000 2.467 512 D HA 0.310 4.958 4.640 0.013 0.000 0.220 512 D C -0.509 175.602 176.300 -0.316 0.000 1.103 512 D CA -1.336 52.509 54.000 -0.257 0.000 0.886 512 D CB -0.073 40.639 40.800 -0.146 0.000 1.025 512 D HN 0.257 nan 8.370 nan 0.000 0.514 513 F N 1.542 121.479 119.950 -0.023 0.000 2.731 513 F HA 0.160 4.695 4.527 0.013 0.000 0.304 513 F C 1.172 176.963 175.800 -0.015 0.000 1.133 513 F CA -0.655 57.331 58.000 -0.023 0.000 1.380 513 F CB -0.682 38.304 39.000 -0.023 0.000 1.079 513 F HN 0.210 nan 8.300 nan 0.000 0.550 514 N N 1.631 120.393 118.700 0.103 0.000 2.411 514 N HA 0.190 4.938 4.740 0.013 0.000 0.261 514 N C -0.776 174.762 175.510 0.046 0.000 1.248 514 N CA 0.393 53.479 53.050 0.060 0.000 0.885 514 N CB 0.632 39.129 38.487 0.017 0.000 1.062 514 N HN 0.058 nan 8.380 nan 0.000 0.471 515 V N 2.751 122.694 119.914 0.049 0.000 3.167 515 V HA 0.271 4.399 4.120 0.013 0.000 0.293 515 V C -1.798 174.300 176.094 0.006 0.000 1.379 515 V CA -0.979 61.353 62.300 0.053 0.000 1.019 515 V CB 2.187 34.102 31.823 0.155 0.000 1.115 515 V HN 0.667 nan 8.190 nan 0.000 0.442 516 D N 3.517 123.894 120.400 -0.037 0.000 2.280 516 D HA 0.449 5.097 4.640 0.013 0.000 0.243 516 D C -0.453 175.713 176.300 -0.223 0.000 1.129 516 D CA 0.139 54.071 54.000 -0.114 0.000 0.848 516 D CB 1.949 42.664 40.800 -0.141 0.000 1.107 516 D HN 0.353 nan 8.370 nan 0.000 0.471 517 V N 4.729 124.457 119.914 -0.310 0.000 2.370 517 V HA 0.249 4.377 4.120 0.013 0.000 0.279 517 V C -1.904 173.895 176.094 -0.492 0.000 1.029 517 V CA -1.512 60.429 62.300 -0.599 0.000 0.870 517 V CB 1.322 32.891 31.823 -0.423 0.000 0.984 517 V HN 0.366 nan 8.190 nan 0.000 0.451 518 P HA 0.218 nan 4.420 nan 0.000 0.269 518 P C -0.919 175.940 177.300 -0.735 0.000 1.209 518 P CA -0.054 62.684 63.100 -0.605 0.000 0.776 518 P CB 0.581 31.897 31.700 -0.641 0.000 0.876 519 V N 3.775 123.275 119.914 -0.691 0.000 2.407 519 V HA 0.332 4.460 4.120 0.013 0.000 0.291 519 V C -0.638 175.127 176.094 -0.548 0.000 1.018 519 V CA -0.506 61.484 62.300 -0.517 0.000 0.842 519 V CB 0.491 32.163 31.823 -0.251 0.000 0.996 519 V HN 0.424 nan 8.190 nan 0.000 0.426 520 Y N 2.726 122.896 120.300 -0.216 0.000 2.534 520 Y HA 0.785 5.343 4.550 0.013 0.000 0.329 520 Y C 0.479 176.468 175.900 0.150 0.000 1.154 520 Y CA -0.858 57.178 58.100 -0.106 0.000 1.192 520 Y CB 1.663 39.867 38.460 -0.427 0.000 1.275 520 Y HN 0.740 nan 8.280 nan 0.000 0.491 521 E N -0.326 120.172 120.200 0.495 0.000 2.380 521 E HA 0.378 4.736 4.350 0.013 0.000 0.281 521 E C -1.929 174.705 176.600 0.058 0.000 0.999 521 E CA -1.296 55.286 56.400 0.303 0.000 0.800 521 E CB 1.504 31.276 29.700 0.119 0.000 1.228 521 E HN 0.482 nan 8.360 nan 0.000 0.436 522 K N 1.313 121.512 120.400 -0.335 0.000 2.219 522 K HA 0.142 4.470 4.320 0.013 0.000 0.258 522 K C -0.004 176.484 176.600 -0.187 0.000 1.008 522 K CA -0.137 55.857 56.287 -0.489 0.000 0.928 522 K CB 0.693 32.842 32.500 -0.585 0.000 0.983 522 K HN 0.611 nan 8.250 nan 0.000 0.484 523 Q N 0.108 119.821 119.800 -0.145 0.000 2.484 523 Q HA 0.480 4.828 4.340 0.013 0.000 0.285 523 Q C -2.865 173.115 176.000 -0.034 0.000 1.097 523 Q CA -2.586 53.177 55.803 -0.067 0.000 0.802 523 Q CB 1.355 30.058 28.738 -0.058 0.000 1.444 523 Q HN 0.156 nan 8.270 nan 0.000 0.429 524 P HA -0.047 nan 4.420 nan 0.000 0.264 524 P C -0.408 176.982 177.300 0.150 0.000 1.183 524 P CA 0.535 63.668 63.100 0.054 0.000 0.763 524 P CB 0.592 32.331 31.700 0.065 0.000 0.807 525 A N 3.971 126.857 122.820 0.110 0.000 2.218 525 A HA 0.141 4.469 4.320 0.013 0.000 0.209 525 A C 0.711 178.339 177.584 0.073 0.000 1.168 525 A CA 0.723 52.865 52.037 0.175 0.000 0.804 525 A CB -0.476 18.569 19.000 0.074 0.000 0.834 525 A HN 0.512 nan 8.150 nan 0.000 0.482 526 I N -0.320 120.257 120.570 0.013 0.000 2.499 526 I HA 0.292 4.470 4.170 0.013 0.000 0.288 526 I C -0.528 175.541 176.117 -0.080 0.000 1.048 526 I CA -0.557 60.677 61.300 -0.111 0.000 1.062 526 I CB 2.249 40.197 38.000 -0.088 0.000 1.238 526 I HN 0.003 nan 8.210 nan 0.000 0.426 527 K N 6.713 127.010 120.400 -0.172 0.000 2.450 527 K HA 0.461 4.789 4.320 0.013 0.000 0.257 527 K C -0.988 175.545 176.600 -0.111 0.000 0.953 527 K CA -0.728 55.514 56.287 -0.075 0.000 0.844 527 K CB 1.387 33.881 32.500 -0.009 0.000 1.103 527 K HN 0.493 nan 8.250 nan 0.000 0.429 528 K N 4.292 124.648 120.400 -0.074 0.000 2.276 528 K HA 0.250 4.578 4.320 0.013 0.000 0.283 528 K C -0.110 176.435 176.600 -0.092 0.000 1.044 528 K CA -0.478 55.729 56.287 -0.133 0.000 0.944 528 K CB 0.496 32.926 32.500 -0.116 0.000 1.012 528 K HN 0.510 nan 8.250 nan 0.000 0.472 529 I N -0.830 119.619 120.570 -0.202 0.000 2.828 529 I HA 0.552 4.730 4.170 0.013 0.000 0.302 529 I C -1.163 174.779 176.117 -0.292 0.000 1.101 529 I CA -0.816 60.437 61.300 -0.078 0.000 1.031 529 I CB 1.233 39.221 38.000 -0.018 0.000 1.231 529 I HN 0.234 nan 8.210 nan 0.000 0.427 530 F N 2.243 122.137 119.950 -0.094 0.000 2.458 530 F HA 0.814 5.348 4.527 0.012 0.000 0.336 530 F C 0.441 176.137 175.800 -0.174 0.000 1.114 530 F CA -0.484 57.447 58.000 -0.115 0.000 0.987 530 F CB 2.086 41.043 39.000 -0.073 0.000 1.130 530 F HN 0.750 nan 8.300 nan 0.000 0.458 531 T N 1.614 116.102 114.554 -0.110 0.000 3.047 531 T HA 0.226 4.584 4.350 0.013 0.000 0.340 531 T C -0.697 173.921 174.700 -0.137 0.000 1.421 531 T CA -0.654 61.315 62.100 -0.219 0.000 1.090 531 T CB 1.145 69.595 68.868 -0.697 0.000 1.292 531 T HN 0.586 nan 8.240 nan 0.000 0.480 532 D N 1.992 122.357 120.400 -0.058 0.000 2.363 532 D HA 0.130 4.779 4.640 0.013 0.000 0.214 532 D C 0.313 176.629 176.300 0.027 0.000 1.093 532 D CA -0.007 53.992 54.000 -0.001 0.000 0.837 532 D CB 0.649 41.468 40.800 0.031 0.000 0.948 532 D HN 0.570 nan 8.370 nan 0.000 0.507 533 E N 1.313 121.509 120.200 -0.007 0.000 2.398 533 E HA 0.089 4.447 4.350 0.013 0.000 0.263 533 E C 0.144 176.826 176.600 0.137 0.000 1.046 533 E CA 0.363 56.813 56.400 0.082 0.000 0.908 533 E CB 0.715 30.508 29.700 0.156 0.000 0.963 533 E HN -0.015 nan 8.360 nan 0.000 0.431 534 N N 1.965 120.762 118.700 0.162 0.000 2.851 534 N HA 0.107 4.855 4.740 0.013 0.000 0.248 534 N C -0.312 175.262 175.510 0.106 0.000 1.221 534 N CA -0.039 53.138 53.050 0.211 0.000 0.847 534 N CB 1.495 40.120 38.487 0.231 0.000 1.150 534 N HN 0.349 nan 8.380 nan 0.000 0.507 535 T N -0.132 114.514 114.554 0.153 0.000 2.849 535 T HA 0.377 4.735 4.350 0.013 0.000 0.272 535 T C 1.743 176.396 174.700 -0.078 0.000 1.046 535 T CA -0.615 61.465 62.100 -0.033 0.000 0.983 535 T CB 0.602 69.478 68.868 0.013 0.000 1.721 535 T HN 0.287 nan 8.240 nan 0.000 0.594 536 I N 0.009 120.409 120.570 -0.283 0.000 2.145 536 I HA -0.220 3.958 4.170 0.013 0.000 0.244 536 I C 1.870 177.916 176.117 -0.118 0.000 1.075 536 I CA 2.060 63.192 61.300 -0.280 0.000 1.332 536 I CB -0.238 37.519 38.000 -0.405 0.000 1.033 536 I HN 0.690 nan 8.210 nan 0.000 0.410 537 F N 0.487 120.585 119.950 0.247 0.000 2.102 537 F HA -0.267 4.271 4.527 0.020 0.000 0.298 537 F C 2.624 178.586 175.800 0.270 0.000 1.105 537 F CA 1.134 59.276 58.000 0.237 0.000 1.239 537 F CB -0.901 38.236 39.000 0.228 0.000 0.991 537 F HN 0.087 nan 8.300 nan 0.000 0.474 538 Q N -0.487 119.588 119.800 0.458 0.000 2.079 538 Q HA -0.158 4.190 4.340 0.013 0.000 0.200 538 Q C 1.999 178.314 176.000 0.526 0.000 0.974 538 Q CA 1.458 57.538 55.803 0.463 0.000 0.840 538 Q CB -0.827 28.200 28.738 0.481 0.000 0.898 538 Q HN 0.439 nan 8.270 nan 0.000 0.430 539 Y N 0.095 120.526 120.300 0.217 0.000 2.242 539 Y HA -0.119 4.448 4.550 0.029 0.000 0.291 539 Y C 1.864 177.915 175.900 0.253 0.000 1.137 539 Y CA 0.865 59.056 58.100 0.153 0.000 1.181 539 Y CB -0.219 38.189 38.460 -0.087 0.000 0.989 539 Y HN 0.062 nan 8.280 nan 0.000 0.527 540 L N -1.931 119.523 121.223 0.384 0.000 2.056 540 L HA -0.258 4.090 4.340 0.013 0.000 0.207 540 L C 2.225 179.225 176.870 0.218 0.000 1.078 540 L CA 1.409 56.470 54.840 0.369 0.000 0.749 540 L CB -0.698 41.608 42.059 0.410 0.000 0.901 540 L HN 0.218 nan 8.230 nan 0.000 0.433 541 Y N 0.951 121.325 120.300 0.123 0.000 2.181 541 Y HA -0.298 4.259 4.550 0.012 0.000 0.288 541 Y C 2.893 178.766 175.900 -0.045 0.000 1.146 541 Y CA 1.468 59.574 58.100 0.010 0.000 1.164 541 Y CB -0.326 38.175 38.460 0.068 0.000 0.982 541 Y HN 0.264 nan 8.280 nan 0.000 0.515 542 S N -0.527 115.190 115.700 0.028 0.000 2.500 542 S HA -0.199 4.280 4.470 0.013 0.000 0.239 542 S C 1.342 175.913 174.600 -0.048 0.000 0.989 542 S CA 1.225 59.364 58.200 -0.101 0.000 0.951 542 S CB -0.499 62.641 63.200 -0.101 0.000 0.759 542 S HN 0.715 nan 8.310 nan 0.000 0.523 543 Q N 1.603 121.372 119.800 -0.052 0.000 2.246 543 Q HA 0.181 4.529 4.340 0.013 0.000 0.202 543 Q C 0.418 176.246 176.000 -0.287 0.000 0.883 543 Q CA 0.311 56.087 55.803 -0.046 0.000 0.952 543 Q CB 0.560 29.370 28.738 0.120 0.000 1.078 543 Q HN 0.807 nan 8.270 nan 0.000 0.493 544 T N -1.924 112.385 114.554 -0.409 0.000 2.927 544 T HA 0.729 5.087 4.350 0.013 0.000 0.286 544 T C -0.477 174.106 174.700 -0.195 0.000 1.040 544 T CA -0.866 60.958 62.100 -0.460 0.000 1.010 544 T CB 1.327 69.814 68.868 -0.635 0.000 1.177 544 T HN 0.154 nan 8.240 nan 0.000 0.546 545 F N -2.333 117.479 119.950 -0.230 0.000 2.654 545 F HA 0.794 5.328 4.527 0.012 0.000 0.308 545 F C -3.223 172.508 175.800 -0.114 0.000 1.108 545 F CA -2.569 55.331 58.000 -0.166 0.000 0.957 545 F CB -0.414 38.517 39.000 -0.115 0.000 1.309 545 F HN 0.439 nan 8.300 nan 0.000 0.446 546 P HA 0.295 nan 4.420 nan 0.000 0.270 546 P C 0.708 178.053 177.300 0.074 0.000 1.223 546 P CA -0.498 62.617 63.100 0.024 0.000 0.785 546 P CB 0.886 32.612 31.700 0.044 0.000 0.923 547 L N 0.829 122.061 121.223 0.016 0.000 2.201 547 L HA -0.119 4.229 4.340 0.013 0.000 0.212 547 L C 1.395 178.313 176.870 0.079 0.000 1.105 547 L CA 1.320 56.184 54.840 0.040 0.000 0.775 547 L CB -0.655 41.409 42.059 0.008 0.000 0.913 547 L HN 0.483 nan 8.230 nan 0.000 0.440 548 D N -0.795 119.643 120.400 0.063 0.000 2.349 548 D HA -0.018 4.630 4.640 0.013 0.000 0.224 548 D C 0.572 176.906 176.300 0.056 0.000 1.029 548 D CA 0.328 54.360 54.000 0.052 0.000 0.879 548 D CB 0.114 40.933 40.800 0.032 0.000 0.906 548 D HN 0.018 nan 8.370 nan 0.000 0.528 549 I N 1.271 121.896 120.570 0.091 0.000 2.412 549 I HA 0.297 4.475 4.170 0.013 0.000 0.296 549 I C 1.328 177.463 176.117 0.030 0.000 0.987 549 I CA -0.629 60.699 61.300 0.047 0.000 1.180 549 I CB 1.923 39.957 38.000 0.057 0.000 1.340 549 I HN 0.086 nan 8.210 nan 0.000 0.455 550 R N 1.968 122.420 120.500 -0.080 0.000 2.517 550 R HA 0.264 4.612 4.340 0.013 0.000 0.265 550 R C -0.522 175.556 176.300 -0.370 0.000 0.921 550 R CA -0.296 55.741 56.100 -0.105 0.000 1.054 550 R CB 0.492 30.825 30.300 0.054 0.000 1.340 550 R HN 0.410 nan 8.270 nan 0.000 0.551 551 D N 2.332 122.389 120.400 -0.572 0.000 2.441 551 D HA 0.328 4.976 4.640 0.013 0.000 0.231 551 D C -0.206 175.768 176.300 -0.542 0.000 1.073 551 D CA -0.716 52.718 54.000 -0.943 0.000 0.850 551 D CB 0.988 41.054 40.800 -1.223 0.000 1.062 551 D HN 0.398 nan 8.370 nan 0.000 0.524 552 I N -0.050 120.232 120.570 -0.479 0.000 3.170 552 I HA 0.798 4.976 4.170 0.013 0.000 0.312 552 I C -0.740 175.230 176.117 -0.246 0.000 1.085 552 I CA -1.014 60.069 61.300 -0.361 0.000 0.999 552 I CB 2.249 39.960 38.000 -0.481 0.000 1.233 552 I HN 0.293 nan 8.210 nan 0.000 0.467 553 S N 2.499 118.093 115.700 -0.176 0.000 2.540 553 S HA 0.649 5.127 4.470 0.013 0.000 0.275 553 S C -0.856 173.692 174.600 -0.087 0.000 1.123 553 S CA -0.917 57.212 58.200 -0.118 0.000 0.907 553 S CB 1.511 64.643 63.200 -0.113 0.000 1.081 553 S HN 0.691 nan 8.310 nan 0.000 0.476 554 L N 2.004 123.186 121.223 -0.069 0.000 2.418 554 L HA 0.712 5.060 4.340 0.013 0.000 0.265 554 L C 0.565 177.412 176.870 -0.038 0.000 1.143 554 L CA -0.273 54.536 54.840 -0.053 0.000 0.809 554 L CB 1.513 43.532 42.059 -0.067 0.000 1.124 554 L HN 0.934 nan 8.230 nan 0.000 0.456 555 T N -1.160 113.384 114.554 -0.017 0.000 2.932 555 T HA 0.215 4.573 4.350 0.013 0.000 0.318 555 T C 0.413 175.136 174.700 0.038 0.000 1.265 555 T CA -0.220 61.893 62.100 0.021 0.000 1.036 555 T CB 1.540 70.438 68.868 0.052 0.000 1.209 555 T HN 0.668 nan 8.240 nan 0.000 0.484 556 S N 1.750 117.494 115.700 0.073 0.000 2.593 556 S HA 0.204 4.682 4.470 0.013 0.000 0.217 556 S C 0.923 175.720 174.600 0.329 0.000 0.966 556 S CA -0.074 58.195 58.200 0.116 0.000 0.914 556 S CB 0.070 63.337 63.200 0.110 0.000 0.776 556 S HN 0.617 nan 8.310 nan 0.000 0.523 557 S N 1.180 117.051 115.700 0.285 0.000 2.399 557 S HA 0.377 4.855 4.470 0.013 0.000 0.301 557 S C 0.402 175.174 174.600 0.288 0.000 1.093 557 S CA -0.928 57.437 58.200 0.274 0.000 1.077 557 S CB -0.200 63.097 63.200 0.162 0.000 0.980 557 S HN 0.394 nan 8.310 nan 0.000 0.494 558 F N 5.157 125.137 119.950 0.051 0.000 2.134 558 F HA -0.098 4.444 4.527 0.026 0.000 0.299 558 F C 1.684 177.374 175.800 -0.183 0.000 1.097 558 F CA 1.929 59.710 58.000 -0.366 0.000 1.264 558 F CB -0.188 38.354 39.000 -0.762 0.000 1.001 558 F HN 0.622 nan 8.300 nan 0.000 0.479 559 D N 0.230 120.496 120.400 -0.223 0.000 2.117 559 D HA -0.180 4.468 4.640 0.013 0.000 0.197 559 D C 1.691 177.879 176.300 -0.186 0.000 0.987 559 D CA 1.606 55.444 54.000 -0.270 0.000 0.829 559 D CB -0.468 40.323 40.800 -0.014 0.000 0.961 559 D HN 0.361 nan 8.370 nan 0.000 0.460 560 D N 0.789 121.179 120.400 -0.017 0.000 2.178 560 D HA -0.056 4.592 4.640 0.013 0.000 0.202 560 D C 2.067 178.434 176.300 0.111 0.000 0.974 560 D CA 0.865 54.952 54.000 0.145 0.000 0.841 560 D CB -0.234 40.676 40.800 0.183 0.000 0.953 560 D HN 0.112 nan 8.370 nan 0.000 0.478 561 A N 0.416 123.219 122.820 -0.029 0.000 1.933 561 A HA -0.092 4.236 4.320 0.013 0.000 0.218 561 A C 2.286 179.767 177.584 -0.172 0.000 1.175 561 A CA 0.798 52.801 52.037 -0.057 0.000 0.628 561 A CB -0.624 18.360 19.000 -0.027 0.000 0.814 561 A HN 0.219 nan 8.150 nan 0.000 0.444 562 L N -1.277 119.739 121.223 -0.346 0.000 2.217 562 L HA -0.075 4.273 4.340 0.013 0.000 0.211 562 L C 2.453 179.187 176.870 -0.227 0.000 1.107 562 L CA 0.553 55.207 54.840 -0.311 0.000 0.783 562 L CB -0.287 41.498 42.059 -0.457 0.000 0.919 562 L HN 0.417 nan 8.230 nan 0.000 0.442 563 L N -0.760 120.300 121.223 -0.271 0.000 2.068 563 L HA 0.055 4.403 4.340 0.013 0.000 0.204 563 L C 0.238 176.756 176.870 -0.587 0.000 1.076 563 L CA 1.373 55.931 54.840 -0.471 0.000 0.753 563 L CB -0.039 41.619 42.059 -0.668 0.000 0.910 563 L HN -0.138 nan 8.230 nan 0.000 0.439 564 F N -0.680 119.222 119.950 -0.079 0.000 2.427 564 F HA 0.264 4.798 4.527 0.012 0.000 0.346 564 F C 1.702 177.459 175.800 -0.073 0.000 1.120 564 F CA -0.080 57.880 58.000 -0.067 0.000 1.033 564 F CB 1.062 40.024 39.000 -0.063 0.000 1.126 564 F HN -0.031 nan 8.300 nan 0.000 0.462 565 S N 0.787 116.540 115.700 0.088 0.000 2.419 565 S HA -0.225 4.253 4.470 0.013 0.000 0.233 565 S C 1.330 175.946 174.600 0.027 0.000 1.016 565 S CA 1.352 59.573 58.200 0.034 0.000 0.974 565 S CB -0.513 62.702 63.200 0.025 0.000 0.786 565 S HN 0.759 nan 8.310 nan 0.000 0.492 566 N N 1.061 119.776 118.700 0.025 0.000 2.383 566 N HA 0.082 4.830 4.740 0.013 0.000 0.192 566 N C -0.398 175.068 175.510 -0.073 0.000 1.141 566 N CA 0.017 53.028 53.050 -0.065 0.000 0.851 566 N CB -0.076 38.353 38.487 -0.096 0.000 0.976 566 N HN 0.219 nan 8.380 nan 0.000 0.465 567 K N 0.854 121.254 120.400 -0.001 0.000 2.274 567 K HA 0.413 4.741 4.320 0.013 0.000 0.262 567 K C -1.003 175.601 176.600 0.006 0.000 0.961 567 K CA -0.724 55.563 56.287 -0.001 0.000 0.833 567 K CB 2.800 35.341 32.500 0.068 0.000 1.102 567 K HN -0.150 nan 8.250 nan 0.000 0.436 568 V N 3.682 123.595 119.914 -0.001 0.000 2.495 568 V HA 0.208 4.336 4.120 0.013 0.000 0.298 568 V C -0.576 175.563 176.094 0.074 0.000 1.031 568 V CA -1.124 61.197 62.300 0.035 0.000 0.871 568 V CB 1.331 33.177 31.823 0.040 0.000 0.988 568 V HN 0.627 nan 8.190 nan 0.000 0.432 569 Y N 3.520 123.807 120.300 -0.022 0.000 2.425 569 Y HA 0.456 5.013 4.550 0.011 0.000 0.331 569 Y C 0.531 176.436 175.900 0.009 0.000 1.157 569 Y CA 0.582 58.690 58.100 0.014 0.000 1.372 569 Y CB 1.163 39.649 38.460 0.044 0.000 1.253 569 Y HN 0.653 nan 8.280 nan 0.000 0.536 570 S N 6.043 121.316 115.700 -0.712 0.000 2.557 570 S HA 0.389 4.867 4.470 0.013 0.000 0.291 570 S C -0.286 173.754 174.600 -0.933 0.000 1.116 570 S CA -0.794 56.973 58.200 -0.722 0.000 0.992 570 S CB 0.094 63.103 63.200 -0.318 0.000 1.028 570 S HN 0.635 nan 8.310 nan 0.000 0.484 571 F N 2.616 122.156 119.950 -0.683 0.000 2.693 571 F HA 0.545 5.084 4.527 0.019 0.000 0.303 571 F C -0.010 175.677 175.800 -0.188 0.000 1.097 571 F CA -1.048 56.710 58.000 -0.403 0.000 1.330 571 F CB -0.523 38.350 39.000 -0.211 0.000 1.067 571 F HN 0.331 nan 8.300 nan 0.000 0.565 572 F N 1.224 120.919 119.950 -0.425 0.000 2.362 572 F HA 0.342 4.877 4.527 0.012 0.000 0.311 572 F C 1.498 177.258 175.800 -0.067 0.000 1.161 572 F CA -1.138 56.669 58.000 -0.323 0.000 1.085 572 F CB 0.746 39.363 39.000 -0.639 0.000 1.311 572 F HN -0.008 nan 8.300 nan 0.000 0.524 573 S N 1.131 116.936 115.700 0.175 0.000 2.560 573 S HA -0.115 4.363 4.470 0.013 0.000 0.276 573 S C 0.889 175.582 174.600 0.156 0.000 1.350 573 S CA -0.607 57.676 58.200 0.138 0.000 1.024 573 S CB 0.589 63.834 63.200 0.074 0.000 0.864 573 S HN 0.871 nan 8.310 nan 0.000 0.536 574 M N 0.419 120.084 119.600 0.110 0.000 2.159 574 M HA -0.140 4.348 4.480 0.013 0.000 0.263 574 M C 1.686 178.033 176.300 0.077 0.000 1.063 574 M CA 2.440 57.792 55.300 0.087 0.000 1.110 574 M CB -0.622 32.021 32.600 0.072 0.000 1.374 574 M HN 0.979 nan 8.290 nan 0.000 0.411 575 D N -0.679 119.770 120.400 0.082 0.000 2.117 575 D HA -0.250 4.398 4.640 0.013 0.000 0.198 575 D C 1.851 178.203 176.300 0.086 0.000 0.982 575 D CA 1.506 55.549 54.000 0.070 0.000 0.828 575 D CB -0.378 40.458 40.800 0.060 0.000 0.967 575 D HN 0.527 nan 8.370 nan 0.000 0.464 576 Y N 0.968 121.266 120.300 -0.004 0.000 2.128 576 Y HA -0.156 4.402 4.550 0.013 0.000 0.284 576 Y C 2.007 177.931 175.900 0.040 0.000 1.154 576 Y CA 1.676 59.773 58.100 -0.004 0.000 1.149 576 Y CB -0.481 37.953 38.460 -0.043 0.000 0.976 576 Y HN 0.059 nan 8.280 nan 0.000 0.505 577 I N 0.240 120.773 120.570 -0.063 0.000 2.163 577 I HA -0.344 3.834 4.170 0.013 0.000 0.243 577 I C 2.460 178.510 176.117 -0.112 0.000 1.085 577 I CA 1.780 62.994 61.300 -0.143 0.000 1.347 577 I CB -0.439 37.558 38.000 -0.006 0.000 1.044 577 I HN 0.190 nan 8.210 nan 0.000 0.408 578 K N 0.168 120.545 120.400 -0.039 0.000 2.026 578 K HA -0.142 4.186 4.320 0.013 0.000 0.208 578 K C 2.108 178.712 176.600 0.007 0.000 1.048 578 K CA 1.967 58.247 56.287 -0.011 0.000 0.929 578 K CB -0.265 32.242 32.500 0.013 0.000 0.713 578 K HN 0.303 nan 8.250 nan 0.000 0.439 579 T N 0.974 115.537 114.554 0.016 0.000 2.788 579 T HA -0.148 4.210 4.350 0.013 0.000 0.268 579 T C 1.934 176.772 174.700 0.229 0.000 1.044 579 T CA 1.323 63.494 62.100 0.119 0.000 1.139 579 T CB -0.238 68.676 68.868 0.077 0.000 0.867 579 T HN 0.315 nan 8.240 nan 0.000 0.454 580 A N 2.406 125.221 122.820 -0.008 0.000 1.972 580 A HA -0.108 4.220 4.320 0.013 0.000 0.219 580 A C 2.050 179.734 177.584 0.168 0.000 1.169 580 A CA 1.232 53.300 52.037 0.053 0.000 0.635 580 A CB -0.376 18.440 19.000 -0.308 0.000 0.810 580 A HN 0.419 nan 8.150 nan 0.000 0.446 581 N N -0.341 118.383 118.700 0.040 0.000 2.336 581 N HA 0.019 4.767 4.740 0.013 0.000 0.189 581 N C 0.360 175.841 175.510 -0.049 0.000 1.113 581 N CA 0.204 53.249 53.050 -0.008 0.000 0.858 581 N CB 0.050 38.513 38.487 -0.040 0.000 0.970 581 N HN 0.555 nan 8.380 nan 0.000 0.471 582 K N 1.350 121.727 120.400 -0.039 0.000 2.350 582 K HA 0.185 4.513 4.320 0.013 0.000 0.279 582 K C -0.694 175.667 176.600 -0.397 0.000 1.027 582 K CA -0.010 56.186 56.287 -0.151 0.000 0.969 582 K CB 0.793 33.260 32.500 -0.054 0.000 0.954 582 K HN -0.274 nan 8.250 nan 0.000 0.474 583 V N 5.863 125.610 119.914 -0.279 0.000 2.417 583 V HA 0.328 4.456 4.120 0.013 0.000 0.291 583 V C -0.142 175.836 176.094 -0.194 0.000 1.024 583 V CA -0.680 61.455 62.300 -0.276 0.000 0.861 583 V CB 1.284 33.008 31.823 -0.166 0.000 0.985 583 V HN 0.688 nan 8.190 nan 0.000 0.436 584 V N 1.544 121.368 119.914 -0.150 0.000 3.155 584 V HA 0.747 4.875 4.120 0.013 0.000 0.313 584 V C -0.354 175.811 176.094 0.117 0.000 1.162 584 V CA -0.943 61.352 62.300 -0.007 0.000 1.048 584 V CB 2.146 33.988 31.823 0.031 0.000 1.092 584 V HN 0.632 nan 8.190 nan 0.000 0.447 585 E N 0.401 120.665 120.200 0.106 0.000 2.349 585 E HA 0.502 4.860 4.350 0.013 0.000 0.265 585 E C 1.282 177.917 176.600 0.058 0.000 1.064 585 E CA 0.357 56.819 56.400 0.104 0.000 0.886 585 E CB 1.685 31.410 29.700 0.042 0.000 1.036 585 E HN 0.951 nan 8.360 nan 0.000 0.413 586 A N 3.029 125.747 122.820 -0.170 0.000 1.940 586 A HA -0.235 4.093 4.320 0.013 0.000 0.221 586 A C 2.004 179.488 177.584 -0.167 0.000 1.190 586 A CA 2.430 54.121 52.037 -0.577 0.000 0.647 586 A CB -1.021 17.556 19.000 -0.706 0.000 0.821 586 A HN 0.698 nan 8.150 nan 0.000 0.457 587 G N -1.149 107.606 108.800 -0.074 0.000 2.448 587 G HA2 0.017 3.985 3.960 0.013 0.000 0.219 587 G HA3 0.017 3.985 3.960 0.013 0.000 0.219 587 G C 1.135 176.061 174.900 0.043 0.000 1.127 587 G CA 1.197 46.289 45.100 -0.013 0.000 0.766 587 G HN 0.454 nan 8.290 nan 0.000 0.552 588 L N -1.079 120.195 121.223 0.085 0.000 2.693 588 L HA 0.421 4.769 4.340 0.013 0.000 0.235 588 L C 1.766 178.772 176.870 0.227 0.000 1.127 588 L CA -0.245 54.671 54.840 0.127 0.000 0.914 588 L CB -0.127 41.999 42.059 0.111 0.000 1.193 588 L HN 0.097 nan 8.230 nan 0.000 0.502 589 F N 1.560 121.564 119.950 0.091 0.000 2.075 589 F HA -0.248 4.287 4.527 0.013 0.000 0.297 589 F C 2.433 178.373 175.800 0.233 0.000 1.113 589 F CA 1.513 59.642 58.000 0.216 0.000 1.218 589 F CB -0.286 38.822 39.000 0.180 0.000 0.984 589 F HN 0.100 nan 8.300 nan 0.000 0.472 590 A N 0.174 123.066 122.820 0.120 0.000 1.917 590 A HA -0.131 4.197 4.320 0.013 0.000 0.219 590 A C 2.527 180.059 177.584 -0.087 0.000 1.182 590 A CA 1.939 53.950 52.037 -0.043 0.000 0.633 590 A CB -1.827 17.176 19.000 0.005 0.000 0.819 590 A HN 0.523 nan 8.150 nan 0.000 0.448 591 G N -1.656 107.142 108.800 -0.002 0.000 2.446 591 G HA2 -0.302 3.666 3.960 0.013 0.000 0.217 591 G HA3 -0.302 3.666 3.960 0.013 0.000 0.217 591 G C 1.401 176.289 174.900 -0.021 0.000 1.168 591 G CA 1.150 46.246 45.100 -0.007 0.000 0.771 591 G HN 0.742 nan 8.290 nan 0.000 0.551 592 W N 1.119 122.336 121.300 -0.139 0.000 2.363 592 W HA -0.091 4.577 4.660 0.013 0.000 0.296 592 W C 2.366 178.747 176.519 -0.231 0.000 1.212 592 W CA 1.679 58.933 57.345 -0.151 0.000 1.260 592 W CB -0.356 29.033 29.460 -0.118 0.000 1.131 592 W HN 0.041 nan 8.180 nan 0.000 0.530 593 V N 1.546 121.136 119.914 -0.540 0.000 2.295 593 V HA -0.340 3.788 4.120 0.013 0.000 0.246 593 V C 2.573 178.332 176.094 -0.559 0.000 1.049 593 V CA 2.446 64.280 62.300 -0.777 0.000 1.024 593 V CB -1.049 30.403 31.823 -0.619 0.000 0.648 593 V HN 0.241 nan 8.190 nan 0.000 0.447 594 K N -0.244 119.939 120.400 -0.362 0.000 2.097 594 K HA -0.265 4.063 4.320 0.013 0.000 0.206 594 K C 2.255 178.708 176.600 -0.245 0.000 1.049 594 K CA 1.933 58.067 56.287 -0.254 0.000 0.933 594 K CB -0.110 32.289 32.500 -0.168 0.000 0.717 594 K HN 0.576 nan 8.250 nan 0.000 0.442 595 Q N 0.477 120.110 119.800 -0.278 0.000 1.990 595 Q HA -0.181 4.167 4.340 0.013 0.000 0.200 595 Q C 2.153 177.995 176.000 -0.264 0.000 0.980 595 Q CA 1.596 57.264 55.803 -0.225 0.000 0.832 595 Q CB -0.157 28.476 28.738 -0.175 0.000 0.897 595 Q HN 0.334 nan 8.270 nan 0.000 0.427 596 I N 0.292 120.567 120.570 -0.491 0.000 2.286 596 I HA -0.211 3.968 4.170 0.013 0.000 0.248 596 I C 2.016 178.032 176.117 -0.167 0.000 1.115 596 I CA 0.933 62.000 61.300 -0.388 0.000 1.392 596 I CB -0.209 37.329 38.000 -0.771 0.000 1.065 596 I HN 0.099 nan 8.210 nan 0.000 0.418 597 V N 0.872 120.633 119.914 -0.256 0.000 2.307 597 V HA -0.294 3.834 4.120 0.013 0.000 0.245 597 V C 2.321 178.397 176.094 -0.029 0.000 1.045 597 V CA 2.164 64.386 62.300 -0.131 0.000 1.024 597 V CB -1.150 30.548 31.823 -0.208 0.000 0.651 597 V HN 0.571 nan 8.190 nan 0.000 0.449 598 N N 0.599 119.250 118.700 -0.081 0.000 2.104 598 N HA -0.212 4.536 4.740 0.013 0.000 0.190 598 N C 1.432 176.922 175.510 -0.034 0.000 1.024 598 N CA 1.907 54.925 53.050 -0.054 0.000 0.853 598 N CB -0.246 38.196 38.487 -0.075 0.000 1.008 598 N HN 0.442 nan 8.380 nan 0.000 0.424 599 D N -0.651 119.738 120.400 -0.017 0.000 2.178 599 D HA -0.147 4.501 4.640 0.013 0.000 0.201 599 D C 1.498 177.726 176.300 -0.120 0.000 0.980 599 D CA 0.621 54.614 54.000 -0.013 0.000 0.842 599 D CB -0.464 40.405 40.800 0.115 0.000 0.948 599 D HN 0.386 nan 8.370 nan 0.000 0.472 600 F N 1.156 121.009 119.950 -0.162 0.000 2.134 600 F HA -0.203 4.333 4.527 0.016 0.000 0.299 600 F C 2.155 177.740 175.800 -0.359 0.000 1.097 600 F CA 0.978 58.772 58.000 -0.343 0.000 1.264 600 F CB -0.050 38.910 39.000 -0.067 0.000 1.001 600 F HN -0.218 nan 8.300 nan 0.000 0.479 601 V N 1.023 120.975 119.914 0.063 0.000 2.343 601 V HA -0.325 3.803 4.120 0.013 0.000 0.247 601 V C 2.379 178.370 176.094 -0.172 0.000 1.051 601 V CA 2.131 64.435 62.300 0.006 0.000 1.036 601 V CB -0.623 31.224 31.823 0.040 0.000 0.654 601 V HN 0.378 nan 8.190 nan 0.000 0.451 602 I N -0.411 120.039 120.570 -0.201 0.000 2.179 602 I HA -0.195 3.983 4.170 0.013 0.000 0.242 602 I C 2.710 178.621 176.117 -0.342 0.000 1.088 602 I CA 1.383 62.556 61.300 -0.212 0.000 1.357 602 I CB -0.500 37.401 38.000 -0.165 0.000 1.051 602 I HN 0.311 nan 8.210 nan 0.000 0.409 603 E N 1.085 120.904 120.200 -0.636 0.000 2.058 603 E HA -0.233 4.125 4.350 0.013 0.000 0.194 603 E C 2.337 178.435 176.600 -0.837 0.000 0.997 603 E CA 1.655 57.460 56.400 -0.992 0.000 0.801 603 E CB -0.403 28.041 29.700 -2.094 0.000 0.746 603 E HN 0.514 nan 8.360 nan 0.000 0.450 604 A N 1.375 123.667 122.820 -0.880 0.000 1.933 604 A HA -0.187 4.141 4.320 0.013 0.000 0.218 604 A C 1.882 179.473 177.584 0.010 0.000 1.175 604 A CA 1.600 53.457 52.037 -0.299 0.000 0.628 604 A CB -0.834 18.010 19.000 -0.259 0.000 0.814 604 A HN 0.299 nan 8.150 nan 0.000 0.444 605 N N -0.587 118.062 118.700 -0.084 0.000 2.520 605 N HA -0.074 4.674 4.740 0.013 0.000 0.185 605 N C 1.155 176.659 175.510 -0.009 0.000 1.068 605 N CA 0.450 53.486 53.050 -0.024 0.000 0.911 605 N CB -0.082 38.375 38.487 -0.050 0.000 0.961 605 N HN 0.472 nan 8.380 nan 0.000 0.446 606 K N 0.620 121.032 120.400 0.021 0.000 2.585 606 K HA -0.041 4.287 4.320 0.013 0.000 0.194 606 K C 1.685 178.246 176.600 -0.065 0.000 1.037 606 K CA 0.688 56.981 56.287 0.012 0.000 0.964 606 K CB 0.031 32.577 32.500 0.077 0.000 0.787 606 K HN 0.229 nan 8.250 nan 0.000 0.488 607 S N 1.284 116.954 115.700 -0.050 0.000 2.595 607 S HA -0.093 4.385 4.470 0.013 0.000 0.235 607 S C 1.011 175.510 174.600 -0.168 0.000 0.974 607 S CA 0.918 58.988 58.200 -0.217 0.000 0.942 607 S CB -0.370 62.777 63.200 -0.087 0.000 0.766 607 S HN 0.387 nan 8.310 nan 0.000 0.536 608 N N 0.303 118.941 118.700 -0.102 0.000 2.238 608 N HA 0.112 4.860 4.740 0.013 0.000 0.222 608 N C -0.575 174.880 175.510 -0.091 0.000 1.133 608 N CA -0.260 52.742 53.050 -0.081 0.000 0.854 608 N CB -0.528 37.933 38.487 -0.043 0.000 1.041 608 N HN 0.035 nan 8.380 nan 0.000 0.510 609 T N 1.574 116.054 114.554 -0.124 0.000 2.902 609 T HA 0.093 4.452 4.350 0.013 0.000 0.301 609 T C 0.389 175.029 174.700 -0.101 0.000 1.012 609 T CA 0.314 62.349 62.100 -0.110 0.000 1.151 609 T CB 0.346 69.141 68.868 -0.122 0.000 0.946 609 T HN 0.203 nan 8.240 nan 0.000 0.542 610 M N 2.515 122.069 119.600 -0.078 0.000 2.528 610 M HA 0.369 4.857 4.480 0.013 0.000 0.318 610 M C 0.141 176.408 176.300 -0.056 0.000 1.195 610 M CA -0.493 54.769 55.300 -0.063 0.000 1.000 610 M CB 1.201 33.763 32.600 -0.064 0.000 1.615 610 M HN 0.444 nan 8.290 nan 0.000 0.469 611 D N 0.287 120.665 120.400 -0.036 0.000 3.100 611 D HA 0.170 4.818 4.640 0.013 0.000 0.350 611 D C 0.456 176.742 176.300 -0.022 0.000 1.310 611 D CA -0.019 53.967 54.000 -0.024 0.000 0.741 611 D CB 0.435 41.235 40.800 -0.000 0.000 1.248 611 D HN 0.290 nan 8.370 nan 0.000 0.527 612 K N 0.269 120.644 120.400 -0.042 0.000 2.152 612 K HA -0.118 4.210 4.320 0.013 0.000 0.206 612 K C 1.747 178.313 176.600 -0.057 0.000 1.048 612 K CA 0.592 56.851 56.287 -0.045 0.000 0.933 612 K CB 0.013 32.475 32.500 -0.062 0.000 0.721 612 K HN 0.374 nan 8.250 nan 0.000 0.447 613 I N 1.027 121.560 120.570 -0.061 0.000 2.361 613 I HA -0.151 4.027 4.170 0.013 0.000 0.251 613 I C 1.553 177.600 176.117 -0.118 0.000 1.133 613 I CA 1.063 62.308 61.300 -0.091 0.000 1.413 613 I CB -0.256 37.720 38.000 -0.041 0.000 1.073 613 I HN 0.060 nan 8.210 nan 0.000 0.424 614 A N -0.708 122.079 122.820 -0.056 0.000 2.337 614 A HA 0.140 4.468 4.320 0.013 0.000 0.227 614 A C 0.605 178.167 177.584 -0.037 0.000 1.259 614 A CA 0.407 52.420 52.037 -0.039 0.000 0.870 614 A CB -0.477 18.526 19.000 0.005 0.000 0.927 614 A HN 0.493 nan 8.150 nan 0.000 0.497 615 D N -0.876 119.497 120.400 -0.045 0.000 2.800 615 D HA -0.146 4.502 4.640 0.013 0.000 0.232 615 D C -0.455 175.844 176.300 -0.001 0.000 1.137 615 D CA 1.106 55.089 54.000 -0.028 0.000 0.718 615 D CB -1.314 39.458 40.800 -0.048 0.000 1.084 615 D HN 0.565 nan 8.370 nan 0.000 0.432 616 I N 0.446 121.030 120.570 0.022 0.000 2.468 616 I HA 0.082 4.261 4.170 0.013 0.000 0.284 616 I C 1.290 177.434 176.117 0.045 0.000 1.038 616 I CA -0.461 60.882 61.300 0.071 0.000 1.083 616 I CB 1.846 39.933 38.000 0.145 0.000 1.223 616 I HN -0.265 nan 8.210 nan 0.000 0.443 617 S N 4.795 120.518 115.700 0.039 0.000 2.406 617 S HA 0.045 4.523 4.470 0.013 0.000 0.228 617 S C 0.246 174.857 174.600 0.018 0.000 1.020 617 S CA 0.772 58.982 58.200 0.016 0.000 0.965 617 S CB 0.001 63.206 63.200 0.009 0.000 0.798 617 S HN 0.471 nan 8.310 nan 0.000 0.488 618 L N 0.383 121.642 121.223 0.059 0.000 2.431 618 L HA 0.783 5.131 4.340 0.013 0.000 0.266 618 L C -1.551 175.324 176.870 0.008 0.000 0.978 618 L CA -0.713 54.148 54.840 0.035 0.000 0.822 618 L CB 2.016 44.129 42.059 0.089 0.000 1.310 618 L HN 0.067 nan 8.230 nan 0.000 0.409 619 I N 4.382 124.810 120.570 -0.237 0.000 2.680 619 I HA 0.507 4.685 4.170 0.013 0.000 0.291 619 I C -1.515 174.180 176.117 -0.703 0.000 1.244 619 I CA -0.273 60.678 61.300 -0.582 0.000 1.042 619 I CB 2.323 40.138 38.000 -0.307 0.000 1.277 619 I HN 0.280 nan 8.210 nan 0.000 0.423 620 V N 10.818 130.038 119.914 -1.157 0.000 2.270 620 V HA 0.339 4.467 4.120 0.013 0.000 0.263 620 V C -1.375 174.317 176.094 -0.669 0.000 1.066 620 V CA -0.947 60.817 62.300 -0.893 0.000 0.857 620 V CB 0.607 31.864 31.823 -0.943 0.000 1.099 620 V HN 0.708 nan 8.190 nan 0.000 0.476 621 P HA -0.189 nan 4.420 nan 0.000 0.219 621 P C 1.017 178.276 177.300 -0.068 0.000 1.146 621 P CA 1.578 64.626 63.100 -0.087 0.000 0.808 621 P CB 0.071 31.752 31.700 -0.031 0.000 0.779 622 Y N -2.404 117.838 120.300 -0.095 0.000 2.466 622 Y HA 0.313 4.871 4.550 0.013 0.000 0.272 622 Y C 2.126 177.800 175.900 -0.377 0.000 1.169 622 Y CA -1.014 57.021 58.100 -0.108 0.000 1.285 622 Y CB -1.739 36.797 38.460 0.127 0.000 1.078 622 Y HN -0.202 nan 8.280 nan 0.000 0.523 623 I N 1.176 121.442 120.570 -0.506 0.000 2.208 623 I HA -0.231 3.947 4.170 0.013 0.000 0.245 623 I C 2.648 178.412 176.117 -0.587 0.000 1.097 623 I CA 1.677 62.647 61.300 -0.550 0.000 1.363 623 I CB -0.693 36.948 38.000 -0.598 0.000 1.051 623 I HN 0.497 nan 8.210 nan 0.000 0.413 624 G N 0.929 109.223 108.800 -0.844 0.000 2.418 624 G HA2 -0.191 3.777 3.960 0.013 0.000 0.217 624 G HA3 -0.191 3.777 3.960 0.013 0.000 0.217 624 G C 1.710 176.477 174.900 -0.221 0.000 1.158 624 G CA 0.406 45.200 45.100 -0.510 0.000 0.771 624 G HN 0.269 nan 8.290 nan 0.000 0.545 625 L N 0.569 121.751 121.223 -0.068 0.000 2.141 625 L HA -0.018 4.330 4.340 0.013 0.000 0.209 625 L C 3.335 180.375 176.870 0.283 0.000 1.094 625 L CA 0.835 55.789 54.840 0.190 0.000 0.763 625 L CB -0.241 41.991 42.059 0.289 0.000 0.908 625 L HN 0.328 nan 8.230 nan 0.000 0.437 626 A N -0.258 122.487 122.820 -0.126 0.000 1.897 626 A HA -0.044 4.284 4.320 0.013 0.000 0.215 626 A C 2.020 179.612 177.584 0.014 0.000 1.181 626 A CA 1.317 53.141 52.037 -0.355 0.000 0.620 626 A CB -0.164 18.138 19.000 -1.165 0.000 0.821 626 A HN 0.419 nan 8.150 nan 0.000 0.443 627 L N -3.028 118.107 121.223 -0.146 0.000 2.803 627 L HA 0.227 4.575 4.340 0.013 0.000 0.246 627 L C 0.734 177.316 176.870 -0.480 0.000 1.100 627 L CA 0.407 55.147 54.840 -0.168 0.000 0.919 627 L CB 0.007 41.969 42.059 -0.161 0.000 1.285 627 L HN 0.406 nan 8.230 nan 0.000 0.522 628 N N 0.948 119.279 118.700 -0.614 0.000 2.721 628 N HA -0.191 4.557 4.740 0.013 0.000 0.249 628 N C -0.354 174.887 175.510 -0.448 0.000 1.072 628 N CA 0.538 53.154 53.050 -0.724 0.000 0.710 628 N CB -1.033 36.545 38.487 -1.515 0.000 0.993 628 N HN 0.170 nan 8.380 nan 0.000 0.547 629 V N -0.280 119.454 119.914 -0.299 0.000 2.953 629 V HA 0.675 4.803 4.120 0.013 0.000 0.304 629 V C 1.678 177.667 176.094 -0.174 0.000 1.073 629 V CA 1.007 63.177 62.300 -0.218 0.000 1.064 629 V CB 0.821 32.572 31.823 -0.119 0.000 1.047 629 V HN 0.936 nan 8.190 nan 0.000 0.478 630 G N 4.217 112.880 108.800 -0.229 0.000 2.550 630 G HA2 -0.318 3.650 3.960 0.013 0.000 0.277 630 G HA3 -0.318 3.650 3.960 0.013 0.000 0.277 630 G C 0.288 175.110 174.900 -0.130 0.000 1.190 630 G CA 0.452 45.441 45.100 -0.186 0.000 0.971 630 G HN 1.139 nan 8.290 nan 0.000 0.559 631 N N 3.006 121.673 118.700 -0.056 0.000 3.050 631 N HA 0.208 4.956 4.740 0.013 0.000 0.289 631 N C 0.365 175.869 175.510 -0.011 0.000 1.209 631 N CA 0.874 53.906 53.050 -0.029 0.000 1.154 631 N CB -1.056 37.428 38.487 -0.006 0.000 1.444 631 N HN 0.599 nan 8.380 nan 0.000 0.529 632 E N -0.278 119.891 120.200 -0.050 0.000 2.183 632 E HA -0.228 4.130 4.350 0.013 0.000 0.196 632 E C 0.358 176.948 176.600 -0.016 0.000 1.364 632 E CA 0.779 57.143 56.400 -0.059 0.000 0.700 632 E CB -1.469 28.218 29.700 -0.022 0.000 1.106 632 E HN 0.672 nan 8.360 nan 0.000 0.347 633 T N -3.240 111.303 114.554 -0.019 0.000 3.113 633 T HA 0.137 4.495 4.350 0.013 0.000 0.263 633 T C 1.649 176.376 174.700 0.045 0.000 1.143 633 T CA 0.636 62.797 62.100 0.102 0.000 1.090 633 T CB 0.269 69.202 68.868 0.108 0.000 0.922 633 T HN 0.393 nan 8.240 nan 0.000 0.521 634 A N 1.187 123.963 122.820 -0.074 0.000 2.072 634 A HA 0.233 4.561 4.320 0.013 0.000 0.216 634 A C 1.114 178.744 177.584 0.077 0.000 1.156 634 A CA 0.099 52.118 52.037 -0.029 0.000 0.701 634 A CB -0.085 18.818 19.000 -0.162 0.000 0.816 634 A HN 0.496 nan 8.150 nan 0.000 0.458 635 K N -0.096 120.343 120.400 0.065 0.000 2.174 635 K HA 0.471 4.799 4.320 0.013 0.000 0.275 635 K C 0.817 177.481 176.600 0.107 0.000 1.015 635 K CA 0.320 56.660 56.287 0.089 0.000 0.933 635 K CB 0.917 33.457 32.500 0.066 0.000 1.025 635 K HN 0.478 nan 8.250 nan 0.000 0.463 636 G N 2.434 111.299 108.800 0.108 0.000 2.562 636 G HA2 -0.297 3.671 3.960 0.013 0.000 0.250 636 G HA3 -0.297 3.671 3.960 0.013 0.000 0.250 636 G C -0.684 174.293 174.900 0.128 0.000 1.269 636 G CA -0.503 44.660 45.100 0.104 0.000 0.919 636 G HN 0.711 nan 8.290 nan 0.000 0.574 637 N N 0.462 119.233 118.700 0.118 0.000 2.437 637 N HA 0.394 5.142 4.740 0.013 0.000 0.259 637 N C 1.055 176.657 175.510 0.154 0.000 0.983 637 N CA -0.152 52.978 53.050 0.134 0.000 0.937 637 N CB 0.990 39.534 38.487 0.096 0.000 1.122 637 N HN 0.477 nan 8.380 nan 0.000 0.499 638 F N 4.127 124.113 119.950 0.061 0.000 2.095 638 F HA -0.131 4.394 4.527 -0.004 0.000 0.298 638 F C 2.228 178.082 175.800 0.091 0.000 1.104 638 F CA 1.693 59.731 58.000 0.064 0.000 1.232 638 F CB -0.034 38.980 39.000 0.022 0.000 0.987 638 F HN 0.688 nan 8.300 nan 0.000 0.475 639 E N -0.037 120.146 120.200 -0.028 0.000 2.070 639 E HA -0.350 4.008 4.350 0.013 0.000 0.197 639 E C 2.077 178.640 176.600 -0.063 0.000 1.004 639 E CA 1.651 57.995 56.400 -0.093 0.000 0.805 639 E CB -0.424 29.275 29.700 -0.001 0.000 0.744 639 E HN 0.506 nan 8.360 nan 0.000 0.451 640 N N 0.163 118.851 118.700 -0.020 0.000 2.084 640 N HA -0.159 4.589 4.740 0.013 0.000 0.190 640 N C 1.682 177.170 175.510 -0.038 0.000 1.030 640 N CA 1.992 55.039 53.050 -0.005 0.000 0.849 640 N CB -0.346 38.155 38.487 0.023 0.000 1.012 640 N HN 0.212 nan 8.380 nan 0.000 0.423 641 A N -0.594 122.190 122.820 -0.060 0.000 1.940 641 A HA -0.112 4.216 4.320 0.013 0.000 0.219 641 A C 2.165 179.679 177.584 -0.117 0.000 1.176 641 A CA 1.233 53.228 52.037 -0.069 0.000 0.631 641 A CB -1.168 17.817 19.000 -0.024 0.000 0.814 641 A HN 0.509 nan 8.150 nan 0.000 0.446 642 F N 0.778 120.494 119.950 -0.390 0.000 2.206 642 F HA -0.072 4.457 4.527 0.003 0.000 0.298 642 F C 2.174 177.877 175.800 -0.161 0.000 1.090 642 F CA 1.841 59.637 58.000 -0.340 0.000 1.323 642 F CB -0.157 38.520 39.000 -0.538 0.000 1.028 642 F HN 0.354 nan 8.300 nan 0.000 0.492 643 E N 0.266 120.437 120.200 -0.047 0.000 2.110 643 E HA -0.205 4.153 4.350 0.013 0.000 0.193 643 E C 2.302 178.823 176.600 -0.132 0.000 0.988 643 E CA 1.613 57.974 56.400 -0.066 0.000 0.804 643 E CB -0.163 29.537 29.700 -0.000 0.000 0.745 643 E HN 0.488 nan 8.360 nan 0.000 0.458 644 I N 0.400 120.897 120.570 -0.121 0.000 2.235 644 I HA -0.149 4.029 4.170 0.013 0.000 0.241 644 I C 2.270 178.296 176.117 -0.151 0.000 1.085 644 I CA 1.065 62.298 61.300 -0.110 0.000 1.378 644 I CB -0.062 37.893 38.000 -0.075 0.000 1.076 644 I HN 0.042 nan 8.210 nan 0.000 0.415 645 A N -0.063 122.646 122.820 -0.185 0.000 2.288 645 A HA 0.485 4.813 4.320 0.013 0.000 0.216 645 A C 1.277 178.687 177.584 -0.290 0.000 1.199 645 A CA 0.586 52.514 52.037 -0.181 0.000 0.891 645 A CB -0.274 18.666 19.000 -0.100 0.000 0.923 645 A HN 0.499 nan 8.150 nan 0.000 0.500 646 G N -1.012 107.432 108.800 -0.592 0.000 2.598 646 G HA2 0.064 4.032 3.960 0.013 0.000 0.244 646 G HA3 0.064 4.032 3.960 0.013 0.000 0.244 646 G C 1.191 175.756 174.900 -0.558 0.000 1.302 646 G CA 0.529 45.034 45.100 -0.992 0.000 0.903 646 G HN 1.453 nan 8.290 nan 0.000 0.575 647 A N -1.057 121.650 122.820 -0.189 0.000 1.997 647 A HA 0.007 4.335 4.320 0.013 0.000 0.221 647 A C 2.782 180.585 177.584 0.365 0.000 1.172 647 A CA 3.228 55.451 52.037 0.309 0.000 0.645 647 A CB -0.886 18.293 19.000 0.298 0.000 0.813 647 A HN 1.663 nan 8.150 nan 0.000 0.454 648 S N -0.040 115.810 115.700 0.250 0.000 2.402 648 S HA -0.213 4.265 4.470 0.013 0.000 0.233 648 S C 1.742 176.408 174.600 0.110 0.000 1.030 648 S CA 1.581 59.906 58.200 0.208 0.000 1.003 648 S CB -0.782 62.528 63.200 0.183 0.000 0.813 648 S HN 0.842 nan 8.310 nan 0.000 0.477 649 I N -1.316 119.334 120.570 0.132 0.000 2.830 649 I HA -0.006 4.172 4.170 0.013 0.000 0.263 649 I C 1.648 177.866 176.117 0.168 0.000 1.230 649 I CA 1.188 62.567 61.300 0.132 0.000 1.480 649 I CB -0.358 37.738 38.000 0.161 0.000 1.095 649 I HN 0.166 nan 8.210 nan 0.000 0.455 650 L N 0.941 122.315 121.223 0.251 0.000 2.341 650 L HA 0.191 4.539 4.340 0.013 0.000 0.214 650 L C 1.084 177.940 176.870 -0.023 0.000 1.115 650 L CA 0.100 55.073 54.840 0.221 0.000 0.820 650 L CB -0.086 42.252 42.059 0.466 0.000 0.944 650 L HN 0.203 nan 8.230 nan 0.000 0.452 651 L N 0.787 121.919 121.223 -0.152 0.000 2.499 651 L HA -0.072 4.276 4.340 0.013 0.000 0.273 651 L C 1.460 178.107 176.870 -0.372 0.000 1.195 651 L CA -0.072 54.545 54.840 -0.372 0.000 0.882 651 L CB 0.641 42.443 42.059 -0.429 0.000 1.133 651 L HN 0.052 nan 8.230 nan 0.000 0.483 652 E N 2.558 122.407 120.200 -0.585 0.000 2.208 652 E HA -0.060 4.298 4.350 0.013 0.000 0.193 652 E C -0.543 175.705 176.600 -0.586 0.000 0.988 652 E CA 0.851 56.718 56.400 -0.888 0.000 0.828 652 E CB 0.265 28.831 29.700 -1.889 0.000 0.763 652 E HN 0.393 nan 8.360 nan 0.000 0.478 653 F N -0.192 119.463 119.950 -0.493 0.000 2.615 653 F HA 0.363 4.901 4.527 0.017 0.000 0.312 653 F C -1.502 174.196 175.800 -0.169 0.000 1.119 653 F CA -1.215 56.663 58.000 -0.203 0.000 0.979 653 F CB 1.151 40.150 39.000 -0.001 0.000 1.266 653 F HN -0.307 nan 8.300 nan 0.000 0.444 654 I N 6.674 126.809 120.570 -0.726 0.000 2.297 654 I HA 0.286 4.464 4.170 0.013 0.000 0.291 654 I C -2.219 173.449 176.117 -0.747 0.000 1.033 654 I CA -2.195 58.792 61.300 -0.521 0.000 1.253 654 I CB 0.554 38.372 38.000 -0.303 0.000 1.396 654 I HN 0.391 nan 8.210 nan 0.000 0.476 655 P HA 0.139 nan 4.420 nan 0.000 0.271 655 P C -0.321 176.949 177.300 -0.050 0.000 1.218 655 P CA -0.217 62.851 63.100 -0.053 0.000 0.780 655 P CB 0.696 32.471 31.700 0.124 0.000 0.901 656 E N 1.897 122.112 120.200 0.026 0.000 2.089 656 E HA 0.208 4.566 4.350 0.013 0.000 0.284 656 E C -0.311 176.315 176.600 0.042 0.000 1.023 656 E CA -0.389 56.022 56.400 0.019 0.000 0.819 656 E CB 0.329 30.058 29.700 0.048 0.000 1.076 656 E HN 0.352 nan 8.360 nan 0.000 0.396 657 L N 3.581 124.807 121.223 0.006 0.000 2.395 657 L HA 0.230 4.578 4.340 0.013 0.000 0.269 657 L C -0.042 176.814 176.870 -0.023 0.000 1.133 657 L CA -0.735 54.091 54.840 -0.024 0.000 0.812 657 L CB 0.365 42.394 42.059 -0.050 0.000 1.125 657 L HN 0.360 nan 8.230 nan 0.000 0.452 658 L N 4.764 125.961 121.223 -0.044 0.000 2.255 658 L HA 0.449 4.797 4.340 0.013 0.000 0.289 658 L C -0.492 176.340 176.870 -0.063 0.000 1.046 658 L CA 0.460 55.292 54.840 -0.015 0.000 0.816 658 L CB 0.250 42.340 42.059 0.051 0.000 1.197 658 L HN 0.371 nan 8.230 nan 0.000 0.427 659 I N 7.178 127.714 120.570 -0.058 0.000 2.714 659 I HA 0.289 4.467 4.170 0.013 0.000 0.276 659 I C -2.209 173.864 176.117 -0.075 0.000 1.196 659 I CA -1.483 59.765 61.300 -0.086 0.000 1.068 659 I CB 1.174 39.117 38.000 -0.095 0.000 1.291 659 I HN 0.481 nan 8.210 nan 0.000 0.530 660 P HA 0.048 nan 4.420 nan 0.000 0.266 660 P C -0.134 177.119 177.300 -0.077 0.000 1.195 660 P CA -0.153 62.911 63.100 -0.060 0.000 0.768 660 P CB 0.716 32.383 31.700 -0.055 0.000 0.838 661 V N 4.372 124.257 119.914 -0.047 0.000 2.439 661 V HA -0.006 4.122 4.120 0.013 0.000 0.271 661 V C 0.557 176.626 176.094 -0.042 0.000 1.040 661 V CA -0.313 61.966 62.300 -0.035 0.000 1.002 661 V CB 0.626 32.446 31.823 -0.004 0.000 1.000 661 V HN 0.281 nan 8.190 nan 0.000 0.477 662 V N 5.541 125.402 119.914 -0.088 0.000 2.557 662 V HA 0.140 4.268 4.120 0.013 0.000 0.301 662 V C 1.369 177.469 176.094 0.012 0.000 1.026 662 V CA 0.391 62.593 62.300 -0.164 0.000 1.137 662 V CB 0.351 31.836 31.823 -0.564 0.000 0.917 662 V HN 1.008 nan 8.190 nan 0.000 0.484 663 G N 3.864 112.685 108.800 0.035 0.000 2.484 663 G HA2 0.405 4.373 3.960 0.013 0.000 0.235 663 G HA3 0.405 4.373 3.960 0.013 0.000 0.235 663 G C 0.398 175.476 174.900 0.296 0.000 1.282 663 G CA 0.134 45.314 45.100 0.133 0.000 0.857 663 G HN 1.249 nan 8.290 nan 0.000 0.571 664 A N 1.005 123.980 122.820 0.257 0.000 2.406 664 A HA 0.569 4.897 4.320 0.013 0.000 0.243 664 A C -0.487 177.384 177.584 0.478 0.000 1.082 664 A CA -0.087 52.132 52.037 0.304 0.000 0.786 664 A CB 0.216 19.316 19.000 0.166 0.000 1.029 664 A HN 0.460 nan 8.150 nan 0.000 0.495 665 F N -0.070 119.944 119.950 0.105 0.000 2.399 665 F HA 0.505 5.040 4.527 0.013 0.000 0.334 665 F C 0.134 175.941 175.800 0.012 0.000 1.097 665 F CA -0.924 57.114 58.000 0.065 0.000 1.076 665 F CB 1.457 40.492 39.000 0.060 0.000 1.162 665 F HN 0.292 nan 8.300 nan 0.000 0.495 666 L N 5.418 126.699 121.223 0.097 0.000 2.324 666 L HA 0.393 4.742 4.340 0.013 0.000 0.274 666 L C -1.012 175.841 176.870 -0.028 0.000 1.012 666 L CA -0.748 54.112 54.840 0.034 0.000 0.859 666 L CB 0.916 42.982 42.059 0.011 0.000 1.224 666 L HN 0.307 nan 8.230 nan 0.000 0.429 667 L N 2.409 123.595 121.223 -0.063 0.000 2.371 667 L HA 0.305 4.653 4.340 0.013 0.000 0.272 667 L C 0.389 177.206 176.870 -0.089 0.000 1.124 667 L CA 0.031 54.759 54.840 -0.186 0.000 0.816 667 L CB 0.588 42.275 42.059 -0.621 0.000 1.129 667 L HN 0.421 nan 8.230 nan 0.000 0.448 668 E N 0.956 121.107 120.200 -0.081 0.000 2.283 668 E HA 0.363 4.721 4.350 0.013 0.000 0.278 668 E C -0.879 175.539 176.600 -0.303 0.000 1.027 668 E CA -0.066 56.226 56.400 -0.180 0.000 0.843 668 E CB 0.954 30.539 29.700 -0.192 0.000 1.062 668 E HN 0.572 nan 8.360 nan 0.000 0.401 669 S N 3.276 118.764 115.700 -0.354 0.000 2.586 669 S HA 0.380 4.858 4.470 0.013 0.000 0.274 669 S C -0.892 173.299 174.600 -0.683 0.000 1.281 669 S CA -0.367 57.650 58.200 -0.305 0.000 1.035 669 S CB 0.328 63.437 63.200 -0.152 0.000 0.962 669 S HN 0.476 nan 8.310 nan 0.000 0.512 670 Y N 1.600 121.871 120.300 -0.048 0.000 2.497 670 Y HA 0.300 4.858 4.550 0.013 0.000 0.333 670 Y C 0.378 176.113 175.900 -0.275 0.000 1.046 670 Y CA -0.928 57.099 58.100 -0.122 0.000 1.160 670 Y CB -0.036 38.375 38.460 -0.081 0.000 1.123 670 Y HN 0.619 nan 8.280 nan 0.000 0.638 671 I N -1.426 118.940 120.570 -0.341 0.000 2.906 671 I HA -0.036 4.142 4.170 0.013 0.000 0.302 671 I C 0.350 176.161 176.117 -0.511 0.000 1.220 671 I CA 0.596 61.400 61.300 -0.826 0.000 1.441 671 I CB 0.677 38.270 38.000 -0.678 0.000 1.336 671 I HN 0.559 nan 8.210 nan 0.000 0.565 672 D N 1.713 121.805 120.400 -0.513 0.000 2.332 672 D HA -0.263 4.385 4.640 0.013 0.000 0.166 672 D C 0.405 176.716 176.300 0.017 0.000 1.574 672 D CA 1.778 55.788 54.000 0.017 0.000 1.598 672 D CB -0.984 39.825 40.800 0.014 0.000 1.354 672 D HN 0.847 nan 8.370 nan 0.000 0.481 673 N N 1.112 119.787 118.700 -0.041 0.000 2.466 673 N HA 0.029 4.777 4.740 0.013 0.000 0.263 673 N C 1.122 176.638 175.510 0.009 0.000 1.178 673 N CA 0.322 53.355 53.050 -0.028 0.000 0.983 673 N CB 0.586 39.031 38.487 -0.071 0.000 1.331 673 N HN 0.320 nan 8.380 nan 0.000 0.500 674 K N 3.191 123.613 120.400 0.036 0.000 2.103 674 K HA -0.158 4.170 4.320 0.013 0.000 0.207 674 K C 0.819 177.448 176.600 0.049 0.000 1.048 674 K CA 1.472 57.798 56.287 0.066 0.000 0.930 674 K CB 0.311 32.851 32.500 0.066 0.000 0.716 674 K HN 0.400 nan 8.250 nan 0.000 0.444 675 N N 0.597 119.297 118.700 -0.001 0.000 2.092 675 N HA -0.088 4.660 4.740 0.013 0.000 0.189 675 N C 1.385 176.867 175.510 -0.047 0.000 1.040 675 N CA 1.306 54.348 53.050 -0.014 0.000 0.845 675 N CB -0.031 38.430 38.487 -0.043 0.000 1.017 675 N HN 0.100 nan 8.380 nan 0.000 0.426 676 K N 0.399 120.674 120.400 -0.209 0.000 2.160 676 K HA -0.098 4.230 4.320 0.013 0.000 0.206 676 K C 1.803 178.371 176.600 -0.054 0.000 1.047 676 K CA 0.931 56.956 56.287 -0.437 0.000 0.930 676 K CB -0.239 31.527 32.500 -1.222 0.000 0.720 676 K HN 0.263 nan 8.250 nan 0.000 0.450 677 I N 0.655 121.321 120.570 0.160 0.000 2.233 677 I HA -0.248 3.930 4.170 0.013 0.000 0.243 677 I C 2.221 178.524 176.117 0.309 0.000 1.093 677 I CA 1.115 62.636 61.300 0.369 0.000 1.380 677 I CB -0.249 37.903 38.000 0.254 0.000 1.067 677 I HN 0.096 nan 8.210 nan 0.000 0.413 678 I N 0.909 121.594 120.570 0.191 0.000 2.226 678 I HA -0.284 3.894 4.170 0.013 0.000 0.245 678 I C 2.465 178.671 176.117 0.149 0.000 1.100 678 I CA 1.483 62.880 61.300 0.163 0.000 1.374 678 I CB -0.401 37.674 38.000 0.125 0.000 1.057 678 I HN 0.186 nan 8.210 nan 0.000 0.413 679 K N 0.283 120.764 120.400 0.135 0.000 2.057 679 K HA -0.138 4.190 4.320 0.013 0.000 0.207 679 K C 2.088 178.776 176.600 0.147 0.000 1.049 679 K CA 1.848 58.213 56.287 0.130 0.000 0.931 679 K CB -0.375 32.209 32.500 0.141 0.000 0.714 679 K HN 0.301 nan 8.250 nan 0.000 0.440 680 T N 1.869 116.545 114.554 0.204 0.000 2.746 680 T HA -0.103 4.255 4.350 0.013 0.000 0.267 680 T C 1.917 176.665 174.700 0.080 0.000 1.039 680 T CA 1.155 63.359 62.100 0.173 0.000 1.142 680 T CB -0.208 68.809 68.868 0.248 0.000 0.866 680 T HN 0.151 nan 8.240 nan 0.000 0.444 681 I N 1.361 122.001 120.570 0.117 0.000 2.179 681 I HA -0.166 4.012 4.170 0.013 0.000 0.242 681 I C 2.295 178.456 176.117 0.074 0.000 1.088 681 I CA 1.268 62.619 61.300 0.086 0.000 1.357 681 I CB -0.419 37.663 38.000 0.138 0.000 1.051 681 I HN 0.181 nan 8.210 nan 0.000 0.409 682 D N 0.731 121.180 120.400 0.081 0.000 2.178 682 D HA -0.126 4.522 4.640 0.013 0.000 0.202 682 D C 1.755 178.103 176.300 0.080 0.000 0.974 682 D CA 1.163 55.205 54.000 0.070 0.000 0.841 682 D CB -0.388 40.453 40.800 0.069 0.000 0.953 682 D HN 0.518 nan 8.370 nan 0.000 0.478 683 N N 0.697 119.447 118.700 0.084 0.000 2.216 683 N HA -0.054 4.694 4.740 0.013 0.000 0.183 683 N C 1.889 177.469 175.510 0.118 0.000 1.017 683 N CA 0.631 53.729 53.050 0.080 0.000 0.861 683 N CB 0.123 38.641 38.487 0.053 0.000 0.986 683 N HN 0.037 nan 8.380 nan 0.000 0.428 684 A N 1.356 124.261 122.820 0.142 0.000 1.969 684 A HA -0.042 4.286 4.320 0.013 0.000 0.218 684 A C 2.130 179.902 177.584 0.312 0.000 1.169 684 A CA 0.816 53.033 52.037 0.300 0.000 0.635 684 A CB -0.462 18.701 19.000 0.270 0.000 0.810 684 A HN 0.144 nan 8.150 nan 0.000 0.445 685 L N -0.258 121.065 121.223 0.166 0.000 2.005 685 L HA -0.150 4.198 4.340 0.013 0.000 0.207 685 L C 3.051 180.009 176.870 0.146 0.000 1.072 685 L CA 1.912 56.823 54.840 0.119 0.000 0.744 685 L CB -1.104 40.991 42.059 0.061 0.000 0.895 685 L HN 0.612 nan 8.230 nan 0.000 0.433 686 T N -2.488 112.149 114.554 0.137 0.000 2.833 686 T HA -0.211 4.147 4.350 0.013 0.000 0.269 686 T C 1.799 176.620 174.700 0.201 0.000 1.054 686 T CA 1.253 63.441 62.100 0.146 0.000 1.135 686 T CB -0.172 68.769 68.868 0.121 0.000 0.869 686 T HN 0.014 nan 8.240 nan 0.000 0.466 687 K N 1.724 122.263 120.400 0.231 0.000 2.103 687 K HA 0.055 4.383 4.320 0.013 0.000 0.204 687 K C 2.527 179.367 176.600 0.399 0.000 1.052 687 K CA 0.780 57.227 56.287 0.268 0.000 0.945 687 K CB -0.469 32.176 32.500 0.242 0.000 0.722 687 K HN 0.254 nan 8.250 nan 0.000 0.443 688 R N 0.966 121.734 120.500 0.446 0.000 2.091 688 R HA -0.134 4.214 4.340 0.013 0.000 0.238 688 R C 1.202 177.742 176.300 0.400 0.000 1.136 688 R CA 1.837 58.212 56.100 0.458 0.000 0.959 688 R CB -0.679 29.802 30.300 0.301 0.000 0.856 688 R HN 0.338 nan 8.270 nan 0.000 0.437 689 N N 1.013 119.872 118.700 0.265 0.000 2.244 689 N HA -0.173 4.575 4.740 0.013 0.000 0.183 689 N C 1.643 177.348 175.510 0.325 0.000 1.016 689 N CA 1.059 54.246 53.050 0.228 0.000 0.866 689 N CB -0.211 38.371 38.487 0.158 0.000 0.980 689 N HN 0.502 nan 8.380 nan 0.000 0.430 690 E N 1.102 121.469 120.200 0.279 0.000 2.150 690 E HA -0.126 4.232 4.350 0.013 0.000 0.193 690 E C 1.261 177.905 176.600 0.073 0.000 0.985 690 E CA 0.799 57.265 56.400 0.110 0.000 0.814 690 E CB 0.280 29.897 29.700 -0.139 0.000 0.752 690 E HN 0.080 nan 8.360 nan 0.000 0.466 691 K N 0.023 120.493 120.400 0.118 0.000 2.057 691 K HA -0.148 4.180 4.320 0.013 0.000 0.206 691 K C 1.732 178.307 176.600 -0.041 0.000 1.050 691 K CA 0.953 57.222 56.287 -0.030 0.000 0.935 691 K CB -0.585 31.787 32.500 -0.213 0.000 0.715 691 K HN 0.276 nan 8.250 nan 0.000 0.439 692 W N 1.526 122.751 121.300 -0.125 0.000 2.355 692 W HA -0.114 4.554 4.660 0.014 0.000 0.309 692 W C 2.845 179.207 176.519 -0.261 0.000 1.206 692 W CA 1.699 58.892 57.345 -0.254 0.000 1.284 692 W CB -0.945 28.423 29.460 -0.154 0.000 1.145 692 W HN 0.055 nan 8.180 nan 0.000 0.502 693 S N -0.045 115.838 115.700 0.306 0.000 2.353 693 S HA -0.216 4.262 4.470 0.013 0.000 0.222 693 S C 1.517 176.337 174.600 0.367 0.000 1.035 693 S CA 2.042 60.533 58.200 0.486 0.000 1.025 693 S CB -0.571 62.986 63.200 0.594 0.000 0.902 693 S HN 0.118 nan 8.310 nan 0.000 0.440 694 D N 0.561 121.065 120.400 0.173 0.000 2.149 694 D HA -0.096 4.552 4.640 0.013 0.000 0.198 694 D C 1.823 178.112 176.300 -0.019 0.000 0.990 694 D CA 1.093 55.137 54.000 0.073 0.000 0.839 694 D CB -0.321 40.468 40.800 -0.018 0.000 0.948 694 D HN 0.365 nan 8.370 nan 0.000 0.460 695 M N -0.751 118.781 119.600 -0.114 0.000 2.086 695 M HA -0.133 4.355 4.480 0.013 0.000 0.261 695 M C 1.698 177.916 176.300 -0.137 0.000 1.067 695 M CA 1.540 56.719 55.300 -0.202 0.000 1.116 695 M CB -0.763 31.605 32.600 -0.387 0.000 1.348 695 M HN 0.163 nan 8.290 nan 0.000 0.407 696 Y N -0.648 119.571 120.300 -0.135 0.000 2.207 696 Y HA -0.182 4.375 4.550 0.013 0.000 0.287 696 Y C 2.330 177.884 175.900 -0.577 0.000 1.156 696 Y CA 0.545 58.481 58.100 -0.273 0.000 1.182 696 Y CB -0.797 37.705 38.460 0.070 0.000 0.979 696 Y HN 0.448 nan 8.280 nan 0.000 0.521 697 G N 0.170 108.686 108.800 -0.473 0.000 2.418 697 G HA2 -0.289 3.679 3.960 0.013 0.000 0.217 697 G HA3 -0.289 3.679 3.960 0.013 0.000 0.217 697 G C 1.522 176.321 174.900 -0.168 0.000 1.158 697 G CA 0.986 45.804 45.100 -0.470 0.000 0.771 697 G HN 0.316 nan 8.290 nan 0.000 0.545 698 L N 0.757 121.913 121.223 -0.111 0.000 2.046 698 L HA -0.015 4.333 4.340 0.013 0.000 0.208 698 L C 2.498 179.269 176.870 -0.165 0.000 1.077 698 L CA 1.329 56.112 54.840 -0.093 0.000 0.747 698 L CB -0.376 41.630 42.059 -0.089 0.000 0.896 698 L HN 0.097 nan 8.230 nan 0.000 0.432 699 I N -0.857 119.608 120.570 -0.175 0.000 2.142 699 I HA -0.234 3.944 4.170 0.013 0.000 0.240 699 I C 2.593 178.652 176.117 -0.097 0.000 1.078 699 I CA 1.358 62.549 61.300 -0.181 0.000 1.343 699 I CB -1.371 36.483 38.000 -0.243 0.000 1.046 699 I HN 0.114 nan 8.210 nan 0.000 0.405 700 V N 1.559 121.423 119.914 -0.083 0.000 2.324 700 V HA -0.303 3.825 4.120 0.013 0.000 0.250 700 V C 2.853 179.068 176.094 0.202 0.000 1.060 700 V CA 1.936 64.321 62.300 0.143 0.000 1.042 700 V CB -1.260 30.645 31.823 0.136 0.000 0.650 700 V HN 0.484 nan 8.190 nan 0.000 0.450 701 A N -0.869 122.002 122.820 0.084 0.000 1.902 701 A HA -0.291 4.037 4.320 0.013 0.000 0.217 701 A C 2.190 179.805 177.584 0.051 0.000 1.181 701 A CA 2.011 54.120 52.037 0.119 0.000 0.623 701 A CB -0.461 18.641 19.000 0.171 0.000 0.818 701 A HN 0.642 nan 8.150 nan 0.000 0.443 702 Q N -2.200 117.480 119.800 -0.200 0.000 2.123 702 Q HA -0.195 4.153 4.340 0.013 0.000 0.199 702 Q C 1.912 177.923 176.000 0.017 0.000 0.966 702 Q CA 1.465 57.063 55.803 -0.341 0.000 0.845 702 Q CB -0.264 28.121 28.738 -0.589 0.000 0.907 702 Q HN 0.904 nan 8.270 nan 0.000 0.439 703 W N 1.475 122.728 121.300 -0.078 0.000 2.355 703 W HA -0.159 4.505 4.660 0.007 0.000 0.309 703 W C 1.429 177.977 176.519 0.047 0.000 1.206 703 W CA 1.238 58.591 57.345 0.014 0.000 1.284 703 W CB -0.394 29.079 29.460 0.022 0.000 1.145 703 W HN 0.009 nan 8.180 nan 0.000 0.502 704 L N 0.955 122.095 121.223 -0.137 0.000 2.083 704 L HA -0.191 4.157 4.340 0.013 0.000 0.209 704 L C 2.552 179.285 176.870 -0.229 0.000 1.083 704 L CA 1.864 56.497 54.840 -0.346 0.000 0.752 704 L CB -0.956 41.021 42.059 -0.138 0.000 0.899 704 L HN 0.169 nan 8.230 nan 0.000 0.433 705 S N -3.158 112.493 115.700 -0.081 0.000 2.540 705 S HA 0.011 4.489 4.470 0.013 0.000 0.218 705 S C 1.431 176.078 174.600 0.078 0.000 0.977 705 S CA 0.367 58.535 58.200 -0.052 0.000 0.918 705 S CB 0.111 63.351 63.200 0.066 0.000 0.806 705 S HN 0.505 nan 8.310 nan 0.000 0.496 706 T N -2.452 112.133 114.554 0.051 0.000 2.980 706 T HA 0.335 4.693 4.350 0.013 0.000 0.252 706 T C 1.288 175.991 174.700 0.005 0.000 0.962 706 T CA 0.500 62.642 62.100 0.071 0.000 0.932 706 T CB -0.041 68.899 68.868 0.120 0.000 1.188 706 T HN 0.136 nan 8.240 nan 0.000 0.500 707 V N 1.660 121.546 119.914 -0.047 0.000 2.721 707 V HA 0.257 4.385 4.120 0.013 0.000 0.236 707 V C 2.470 178.480 176.094 -0.140 0.000 1.116 707 V CA 1.004 63.232 62.300 -0.120 0.000 1.148 707 V CB -0.583 31.293 31.823 0.089 0.000 0.886 707 V HN 0.382 nan 8.190 nan 0.000 0.490 708 N N 1.020 119.555 118.700 -0.275 0.000 2.364 708 N HA -0.165 4.583 4.740 0.013 0.000 0.183 708 N C 1.797 177.290 175.510 -0.027 0.000 1.022 708 N CA 1.911 54.837 53.050 -0.206 0.000 0.883 708 N CB -0.097 37.967 38.487 -0.705 0.000 0.965 708 N HN 0.689 nan 8.380 nan 0.000 0.438 709 T N -2.321 112.205 114.554 -0.047 0.000 2.777 709 T HA -0.116 4.242 4.350 0.013 0.000 0.266 709 T C 1.741 176.553 174.700 0.188 0.000 1.040 709 T CA 0.938 63.086 62.100 0.079 0.000 1.141 709 T CB -0.474 68.458 68.868 0.108 0.000 0.868 709 T HN 0.227 nan 8.240 nan 0.000 0.444 710 Q N 0.246 120.108 119.800 0.103 0.000 2.096 710 Q HA -0.010 4.338 4.340 0.013 0.000 0.204 710 Q C 2.082 178.128 176.000 0.077 0.000 0.982 710 Q CA 1.539 57.429 55.803 0.145 0.000 0.850 710 Q CB -0.432 28.230 28.738 -0.127 0.000 0.901 710 Q HN 0.613 nan 8.270 nan 0.000 0.422 711 F N -0.897 119.127 119.950 0.123 0.000 2.293 711 F HA -0.217 4.312 4.527 0.004 0.000 0.300 711 F C 2.183 178.043 175.800 0.101 0.000 1.086 711 F CA 0.629 58.684 58.000 0.092 0.000 1.375 711 F CB -0.105 38.932 39.000 0.063 0.000 1.045 711 F HN 0.164 nan 8.300 nan 0.000 0.516 712 Y N 0.680 121.077 120.300 0.162 0.000 2.200 712 Y HA -0.216 4.342 4.550 0.013 0.000 0.290 712 Y C 2.444 178.371 175.900 0.046 0.000 1.137 712 Y CA 1.914 60.066 58.100 0.087 0.000 1.163 712 Y CB -0.941 37.547 38.460 0.047 0.000 0.988 712 Y HN -0.129 nan 8.280 nan 0.000 0.518 713 T N 1.305 115.833 114.554 -0.043 0.000 2.788 713 T HA -0.153 4.205 4.350 0.013 0.000 0.268 713 T C 1.941 176.505 174.700 -0.226 0.000 1.044 713 T CA 1.855 63.791 62.100 -0.273 0.000 1.139 713 T CB -0.404 68.176 68.868 -0.480 0.000 0.867 713 T HN 0.381 nan 8.240 nan 0.000 0.454 714 I N 0.466 121.011 120.570 -0.042 0.000 2.252 714 I HA -0.160 4.018 4.170 0.013 0.000 0.245 714 I C 2.537 178.648 176.117 -0.011 0.000 1.102 714 I CA 1.267 62.580 61.300 0.021 0.000 1.385 714 I CB -0.263 37.842 38.000 0.175 0.000 1.064 714 I HN 0.193 nan 8.210 nan 0.000 0.414 715 K N 0.472 120.859 120.400 -0.021 0.000 2.057 715 K HA -0.172 4.156 4.320 0.013 0.000 0.207 715 K C 2.050 178.603 176.600 -0.078 0.000 1.049 715 K CA 1.149 57.419 56.287 -0.028 0.000 0.931 715 K CB -0.104 32.382 32.500 -0.023 0.000 0.714 715 K HN 0.240 nan 8.250 nan 0.000 0.440 716 E N 0.080 120.139 120.200 -0.235 0.000 2.110 716 E HA -0.120 4.238 4.350 0.013 0.000 0.193 716 E C 2.170 178.740 176.600 -0.051 0.000 0.988 716 E CA 1.157 57.441 56.400 -0.193 0.000 0.804 716 E CB -0.341 29.138 29.700 -0.368 0.000 0.745 716 E HN 0.455 nan 8.360 nan 0.000 0.458 717 G N 0.954 109.705 108.800 -0.082 0.000 2.418 717 G HA2 -0.231 3.737 3.960 0.013 0.000 0.217 717 G HA3 -0.231 3.737 3.960 0.013 0.000 0.217 717 G C 1.533 176.430 174.900 -0.004 0.000 1.158 717 G CA 0.699 45.777 45.100 -0.037 0.000 0.771 717 G HN 0.116 nan 8.290 nan 0.000 0.545 718 M N -0.613 118.989 119.600 0.004 0.000 2.229 718 M HA 0.063 4.551 4.480 0.013 0.000 0.264 718 M C 2.244 178.584 176.300 0.067 0.000 1.063 718 M CA 0.483 55.795 55.300 0.019 0.000 1.114 718 M CB -1.091 31.532 32.600 0.038 0.000 1.387 718 M HN 0.403 nan 8.290 nan 0.000 0.420 719 Y N 1.461 121.742 120.300 -0.032 0.000 2.181 719 Y HA -0.208 4.349 4.550 0.012 0.000 0.288 719 Y C 2.198 178.047 175.900 -0.086 0.000 1.146 719 Y CA 1.847 59.928 58.100 -0.032 0.000 1.164 719 Y CB -0.163 38.267 38.460 -0.050 0.000 0.982 719 Y HN 0.164 nan 8.280 nan 0.000 0.515 720 K N -0.185 120.139 120.400 -0.126 0.000 2.057 720 K HA -0.128 4.200 4.320 0.013 0.000 0.206 720 K C 2.359 178.706 176.600 -0.422 0.000 1.050 720 K CA 1.063 57.114 56.287 -0.394 0.000 0.935 720 K CB -0.390 31.943 32.500 -0.278 0.000 0.715 720 K HN 0.383 nan 8.250 nan 0.000 0.439 721 A N 1.614 124.397 122.820 -0.062 0.000 1.877 721 A HA -0.148 4.180 4.320 0.013 0.000 0.216 721 A C 2.161 179.869 177.584 0.207 0.000 1.186 721 A CA 1.311 53.469 52.037 0.203 0.000 0.620 721 A CB -0.713 18.390 19.000 0.171 0.000 0.822 721 A HN 0.154 nan 8.150 nan 0.000 0.443 722 L N -0.218 121.067 121.223 0.104 0.000 2.083 722 L HA -0.207 4.142 4.340 0.013 0.000 0.209 722 L C 2.420 179.313 176.870 0.039 0.000 1.083 722 L CA 1.231 56.143 54.840 0.120 0.000 0.752 722 L CB -0.563 41.565 42.059 0.114 0.000 0.899 722 L HN 0.434 nan 8.230 nan 0.000 0.433 723 N N -0.682 117.894 118.700 -0.208 0.000 2.188 723 N HA -0.183 4.565 4.740 0.013 0.000 0.184 723 N C 1.927 177.376 175.510 -0.103 0.000 1.018 723 N CA 1.353 54.231 53.050 -0.288 0.000 0.858 723 N CB -0.180 37.978 38.487 -0.548 0.000 0.989 723 N HN 0.427 nan 8.380 nan 0.000 0.426 724 Y N 1.438 121.711 120.300 -0.044 0.000 2.224 724 Y HA -0.161 4.395 4.550 0.011 0.000 0.289 724 Y C 2.593 178.520 175.900 0.044 0.000 1.146 724 Y CA 0.490 58.593 58.100 0.005 0.000 1.182 724 Y CB 0.177 38.664 38.460 0.045 0.000 0.983 724 Y HN 0.058 nan 8.280 nan 0.000 0.524 725 Q N -0.054 119.863 119.800 0.195 0.000 2.079 725 Q HA -0.154 4.194 4.340 0.013 0.000 0.200 725 Q C 2.566 178.739 176.000 0.289 0.000 0.974 725 Q CA 1.371 57.265 55.803 0.151 0.000 0.840 725 Q CB -0.682 27.994 28.738 -0.104 0.000 0.898 725 Q HN 0.515 nan 8.270 nan 0.000 0.430 726 A N 0.800 123.746 122.820 0.211 0.000 1.930 726 A HA -0.210 4.118 4.320 0.013 0.000 0.217 726 A C 2.096 179.703 177.584 0.039 0.000 1.175 726 A CA 1.442 53.442 52.037 -0.062 0.000 0.627 726 A CB -0.446 18.444 19.000 -0.183 0.000 0.815 726 A HN 0.386 nan 8.150 nan 0.000 0.443 727 Q N -0.618 119.220 119.800 0.064 0.000 2.124 727 Q HA -0.082 4.266 4.340 0.013 0.000 0.202 727 Q C 2.404 178.561 176.000 0.262 0.000 0.977 727 Q CA 1.375 57.261 55.803 0.138 0.000 0.850 727 Q CB -0.376 28.438 28.738 0.127 0.000 0.901 727 Q HN 0.692 nan 8.270 nan 0.000 0.429 728 A N 0.720 123.703 122.820 0.271 0.000 1.873 728 A HA -0.171 4.157 4.320 0.013 0.000 0.215 728 A C 2.012 179.686 177.584 0.150 0.000 1.186 728 A CA 1.167 53.345 52.037 0.236 0.000 0.616 728 A CB -0.607 18.506 19.000 0.188 0.000 0.823 728 A HN 0.359 nan 8.150 nan 0.000 0.442 729 L N 0.308 121.633 121.223 0.170 0.000 2.083 729 L HA -0.127 4.221 4.340 0.013 0.000 0.209 729 L C 2.263 179.228 176.870 0.157 0.000 1.083 729 L CA 2.762 57.694 54.840 0.154 0.000 0.752 729 L CB -0.717 41.433 42.059 0.152 0.000 0.899 729 L HN 0.625 nan 8.230 nan 0.000 0.433 730 E N -0.643 119.661 120.200 0.175 0.000 2.110 730 E HA -0.298 4.060 4.350 0.013 0.000 0.193 730 E C 2.065 178.821 176.600 0.260 0.000 0.988 730 E CA 1.331 57.873 56.400 0.237 0.000 0.804 730 E CB -0.172 29.711 29.700 0.306 0.000 0.745 730 E HN 0.561 nan 8.360 nan 0.000 0.458 731 E N 0.617 120.947 120.200 0.217 0.000 2.077 731 E HA -0.157 4.202 4.350 0.013 0.000 0.193 731 E C 1.901 178.599 176.600 0.163 0.000 0.989 731 E CA 1.669 58.167 56.400 0.164 0.000 0.800 731 E CB -0.234 29.485 29.700 0.030 0.000 0.746 731 E HN 0.471 nan 8.360 nan 0.000 0.452 732 I N 0.162 120.824 120.570 0.154 0.000 2.179 732 I HA -0.255 3.923 4.170 0.013 0.000 0.242 732 I C 2.278 178.634 176.117 0.398 0.000 1.088 732 I CA 0.997 62.430 61.300 0.221 0.000 1.357 732 I CB -0.311 37.810 38.000 0.202 0.000 1.051 732 I HN 0.166 nan 8.210 nan 0.000 0.409 733 I N 0.831 121.668 120.570 0.445 0.000 2.163 733 I HA -0.335 3.843 4.170 0.013 0.000 0.243 733 I C 2.562 179.074 176.117 0.657 0.000 1.085 733 I CA 1.641 63.297 61.300 0.594 0.000 1.347 733 I CB -0.449 37.767 38.000 0.361 0.000 1.044 733 I HN 0.186 nan 8.210 nan 0.000 0.408 734 K N -0.084 120.646 120.400 0.550 0.000 2.009 734 K HA -0.261 4.067 4.320 0.013 0.000 0.210 734 K C 2.257 179.073 176.600 0.360 0.000 1.049 734 K CA 1.963 58.536 56.287 0.477 0.000 0.929 734 K CB -0.529 32.129 32.500 0.264 0.000 0.714 734 K HN 0.218 nan 8.250 nan 0.000 0.440 735 Y N 2.041 122.444 120.300 0.171 0.000 2.128 735 Y HA -0.253 4.305 4.550 0.014 0.000 0.284 735 Y C 2.189 178.081 175.900 -0.014 0.000 1.154 735 Y CA 1.548 59.678 58.100 0.049 0.000 1.149 735 Y CB 0.057 38.515 38.460 -0.004 0.000 0.976 735 Y HN -0.047 nan 8.280 nan 0.000 0.505 736 R N -0.893 119.638 120.500 0.052 0.000 2.096 736 R HA -0.213 4.135 4.340 0.013 0.000 0.235 736 R C 2.143 178.115 176.300 -0.547 0.000 1.127 736 R CA 1.684 57.659 56.100 -0.210 0.000 0.968 736 R CB -1.640 28.737 30.300 0.128 0.000 0.861 736 R HN 0.529 nan 8.270 nan 0.000 0.440 737 Y N 2.215 122.349 120.300 -0.276 0.000 2.242 737 Y HA -0.066 4.492 4.550 0.013 0.000 0.291 737 Y C 1.504 177.287 175.900 -0.196 0.000 1.137 737 Y CA 1.237 59.177 58.100 -0.267 0.000 1.181 737 Y CB -0.234 38.422 38.460 0.326 0.000 0.989 737 Y HN 0.001 nan 8.280 nan 0.000 0.527 738 N N 0.243 118.804 118.700 -0.232 0.000 2.521 738 N HA -0.060 4.688 4.740 0.013 0.000 0.188 738 N C 1.447 176.692 175.510 -0.442 0.000 1.146 738 N CA 0.552 53.411 53.050 -0.317 0.000 0.893 738 N CB 0.026 38.420 38.487 -0.155 0.000 0.975 738 N HN 0.378 nan 8.380 nan 0.000 0.451 739 I N 0.213 120.387 120.570 -0.661 0.000 2.761 739 I HA -0.080 4.098 4.170 0.013 0.000 0.261 739 I C 0.513 176.322 176.117 -0.514 0.000 1.198 739 I CA 0.316 61.227 61.300 -0.649 0.000 1.482 739 I CB -0.781 36.738 38.000 -0.800 0.000 1.100 739 I HN 0.008 nan 8.210 nan 0.000 0.445 740 Y N 1.456 121.531 120.300 -0.375 0.000 2.314 740 Y HA 0.111 4.669 4.550 0.013 0.000 0.334 740 Y C 1.593 177.327 175.900 -0.277 0.000 1.266 740 Y CA -0.663 57.243 58.100 -0.324 0.000 1.391 740 Y CB 0.457 38.684 38.460 -0.388 0.000 1.306 740 Y HN 0.010 nan 8.280 nan 0.000 0.558 741 S N 0.358 116.045 115.700 -0.022 0.000 2.624 741 S HA 0.079 4.557 4.470 0.013 0.000 0.263 741 S C 0.831 175.382 174.600 -0.081 0.000 1.287 741 S CA -0.801 57.361 58.200 -0.064 0.000 0.990 741 S CB 1.054 64.226 63.200 -0.046 0.000 0.950 741 S HN 0.698 nan 8.310 nan 0.000 0.561 742 E N 0.640 120.797 120.200 -0.072 0.000 2.153 742 E HA -0.121 4.237 4.350 0.013 0.000 0.194 742 E C 1.742 178.314 176.600 -0.046 0.000 0.988 742 E CA 0.758 57.121 56.400 -0.062 0.000 0.811 742 E CB -0.227 29.449 29.700 -0.041 0.000 0.746 742 E HN 0.599 nan 8.360 nan 0.000 0.466 743 K N 1.365 121.739 120.400 -0.043 0.000 2.057 743 K HA -0.144 4.184 4.320 0.013 0.000 0.206 743 K C 1.785 178.356 176.600 -0.048 0.000 1.050 743 K CA 1.155 57.420 56.287 -0.036 0.000 0.935 743 K CB 0.031 32.512 32.500 -0.033 0.000 0.715 743 K HN 0.180 nan 8.250 nan 0.000 0.439 744 E N 0.348 120.505 120.200 -0.071 0.000 2.072 744 E HA -0.140 4.218 4.350 0.013 0.000 0.191 744 E C 2.119 178.646 176.600 -0.122 0.000 0.985 744 E CA 1.035 57.364 56.400 -0.118 0.000 0.801 744 E CB 0.017 29.618 29.700 -0.165 0.000 0.750 744 E HN 0.265 nan 8.360 nan 0.000 0.452 745 K N 0.622 120.954 120.400 -0.113 0.000 2.103 745 K HA -0.109 4.219 4.320 0.013 0.000 0.207 745 K C 2.341 178.985 176.600 0.072 0.000 1.048 745 K CA 1.281 57.535 56.287 -0.055 0.000 0.930 745 K CB -0.091 32.310 32.500 -0.164 0.000 0.716 745 K HN -0.055 nan 8.250 nan 0.000 0.444 746 S N 1.300 117.018 115.700 0.029 0.000 2.400 746 S HA -0.085 4.393 4.470 0.013 0.000 0.232 746 S C 1.314 175.938 174.600 0.040 0.000 1.025 746 S CA 1.089 59.315 58.200 0.044 0.000 0.993 746 S CB -0.149 63.062 63.200 0.018 0.000 0.808 746 S HN 0.319 nan 8.310 nan 0.000 0.478 747 N N 0.563 119.273 118.700 0.016 0.000 2.336 747 N HA 0.234 4.982 4.740 0.013 0.000 0.189 747 N C -0.146 175.379 175.510 0.025 0.000 1.113 747 N CA 0.179 53.235 53.050 0.009 0.000 0.858 747 N CB 0.290 38.767 38.487 -0.016 0.000 0.970 747 N HN 0.390 nan 8.380 nan 0.000 0.471 748 I N 1.621 122.231 120.570 0.068 0.000 2.325 748 I HA 0.050 4.228 4.170 0.013 0.000 0.291 748 I C 0.265 176.458 176.117 0.127 0.000 1.019 748 I CA -0.531 60.846 61.300 0.128 0.000 1.302 748 I CB 0.657 38.817 38.000 0.267 0.000 1.401 748 I HN -0.173 nan 8.210 nan 0.000 0.485 749 N N 8.292 127.033 118.700 0.069 0.000 2.602 749 N HA 0.327 5.075 4.740 0.013 0.000 0.238 749 N C -1.164 174.327 175.510 -0.032 0.000 1.084 749 N CA -0.032 53.030 53.050 0.020 0.000 0.952 749 N CB 0.249 38.736 38.487 -0.000 0.000 1.244 749 N HN 0.319 nan 8.380 nan 0.000 0.512 750 I N 1.378 121.906 120.570 -0.070 0.000 2.686 750 I HA 0.289 4.467 4.170 0.013 0.000 0.295 750 I C -0.898 175.079 176.117 -0.233 0.000 1.114 750 I CA -0.698 60.465 61.300 -0.229 0.000 1.038 750 I CB 2.122 39.879 38.000 -0.406 0.000 1.238 750 I HN 0.381 nan 8.210 nan 0.000 0.420 751 D N 4.733 124.964 120.400 -0.283 0.000 2.440 751 D HA 0.304 4.952 4.640 0.013 0.000 0.252 751 D C 0.475 176.635 176.300 -0.234 0.000 1.180 751 D CA -0.404 53.493 54.000 -0.171 0.000 0.894 751 D CB 0.729 41.463 40.800 -0.111 0.000 1.111 751 D HN 0.228 nan 8.370 nan 0.000 0.544 752 F N 1.772 121.645 119.950 -0.129 0.000 2.269 752 F HA -0.117 4.418 4.527 0.013 0.000 0.301 752 F C 2.141 177.835 175.800 -0.176 0.000 1.082 752 F CA 0.708 58.626 58.000 -0.138 0.000 1.360 752 F CB -0.027 38.916 39.000 -0.095 0.000 1.041 752 F HN 0.357 nan 8.300 nan 0.000 0.512 753 N N -0.130 118.576 118.700 0.010 0.000 2.216 753 N HA -0.192 4.556 4.740 0.013 0.000 0.183 753 N C 1.752 177.170 175.510 -0.153 0.000 1.017 753 N CA 1.353 54.354 53.050 -0.082 0.000 0.861 753 N CB -0.519 37.943 38.487 -0.042 0.000 0.986 753 N HN 0.351 nan 8.380 nan 0.000 0.428 754 D N 1.467 121.786 120.400 -0.135 0.000 2.117 754 D HA -0.045 4.603 4.640 0.013 0.000 0.198 754 D C 2.110 178.294 176.300 -0.194 0.000 0.982 754 D CA 0.378 54.291 54.000 -0.146 0.000 0.828 754 D CB 0.108 40.831 40.800 -0.127 0.000 0.967 754 D HN 0.157 nan 8.370 nan 0.000 0.464 755 I N 1.185 121.617 120.570 -0.230 0.000 2.118 755 I HA -0.335 3.843 4.170 0.013 0.000 0.241 755 I C 2.129 178.066 176.117 -0.300 0.000 1.070 755 I CA 1.147 62.293 61.300 -0.256 0.000 1.327 755 I CB -0.392 37.441 38.000 -0.279 0.000 1.034 755 I HN 0.035 nan 8.210 nan 0.000 0.405 756 N N 0.132 118.560 118.700 -0.453 0.000 2.223 756 N HA -0.170 4.578 4.740 0.013 0.000 0.185 756 N C 1.934 177.072 175.510 -0.619 0.000 1.016 756 N CA 1.496 53.956 53.050 -0.984 0.000 0.863 756 N CB -0.449 37.017 38.487 -1.702 0.000 0.983 756 N HN 0.298 nan 8.380 nan 0.000 0.429 757 S N 1.031 116.522 115.700 -0.348 0.000 2.356 757 S HA -0.057 4.421 4.470 0.013 0.000 0.223 757 S C 1.720 176.268 174.600 -0.086 0.000 1.032 757 S CA 1.038 59.139 58.200 -0.165 0.000 1.005 757 S CB 0.062 63.190 63.200 -0.121 0.000 0.867 757 S HN 0.238 nan 8.310 nan 0.000 0.449 758 K N 0.546 120.883 120.400 -0.105 0.000 2.097 758 K HA 0.051 4.379 4.320 0.013 0.000 0.205 758 K C 2.151 178.742 176.600 -0.014 0.000 1.050 758 K CA 1.193 57.447 56.287 -0.055 0.000 0.938 758 K CB -0.316 32.136 32.500 -0.079 0.000 0.718 758 K HN 0.390 nan 8.250 nan 0.000 0.442 759 L N 1.305 122.486 121.223 -0.070 0.000 2.027 759 L HA -0.197 4.151 4.340 0.013 0.000 0.206 759 L C 2.508 179.452 176.870 0.123 0.000 1.074 759 L CA 1.039 55.826 54.840 -0.089 0.000 0.745 759 L CB -0.712 41.212 42.059 -0.225 0.000 0.898 759 L HN 0.340 nan 8.230 nan 0.000 0.433 760 N N 0.497 119.326 118.700 0.216 0.000 2.104 760 N HA -0.270 4.478 4.740 0.013 0.000 0.190 760 N C 1.845 177.469 175.510 0.190 0.000 1.024 760 N CA 1.912 55.133 53.050 0.285 0.000 0.853 760 N CB 0.110 38.803 38.487 0.344 0.000 1.008 760 N HN 0.295 nan 8.380 nan 0.000 0.424 761 E N 0.162 120.441 120.200 0.132 0.000 2.077 761 E HA -0.063 4.295 4.350 0.013 0.000 0.193 761 E C 1.922 178.602 176.600 0.134 0.000 0.989 761 E CA 1.782 58.249 56.400 0.111 0.000 0.800 761 E CB -1.022 28.718 29.700 0.068 0.000 0.746 761 E HN 0.415 nan 8.360 nan 0.000 0.452 762 G N 0.863 109.762 108.800 0.165 0.000 2.440 762 G HA2 -0.238 3.730 3.960 0.013 0.000 0.218 762 G HA3 -0.238 3.730 3.960 0.013 0.000 0.218 762 G C 1.731 176.764 174.900 0.220 0.000 1.154 762 G CA 1.066 46.282 45.100 0.193 0.000 0.767 762 G HN 0.346 nan 8.290 nan 0.000 0.552 763 I N 0.938 121.673 120.570 0.276 0.000 2.179 763 I HA -0.182 3.996 4.170 0.013 0.000 0.242 763 I C 2.515 178.755 176.117 0.205 0.000 1.088 763 I CA 0.919 62.368 61.300 0.248 0.000 1.357 763 I CB -0.283 37.841 38.000 0.207 0.000 1.051 763 I HN 0.088 nan 8.210 nan 0.000 0.409 764 N N 0.811 119.624 118.700 0.189 0.000 2.149 764 N HA -0.210 4.538 4.740 0.013 0.000 0.188 764 N C 1.839 177.434 175.510 0.142 0.000 1.019 764 N CA 1.326 54.480 53.050 0.173 0.000 0.857 764 N CB -0.330 38.246 38.487 0.148 0.000 0.997 764 N HN 0.511 nan 8.380 nan 0.000 0.426 765 Q N 0.327 120.201 119.800 0.124 0.000 2.079 765 Q HA 0.030 4.378 4.340 0.013 0.000 0.200 765 Q C 2.110 178.172 176.000 0.103 0.000 0.974 765 Q CA 1.429 57.290 55.803 0.097 0.000 0.840 765 Q CB -0.132 28.653 28.738 0.077 0.000 0.898 765 Q HN 0.389 nan 8.270 nan 0.000 0.430 766 A N 1.090 123.989 122.820 0.132 0.000 1.898 766 A HA -0.159 4.169 4.320 0.013 0.000 0.216 766 A C 2.015 179.688 177.584 0.147 0.000 1.181 766 A CA 1.005 53.132 52.037 0.151 0.000 0.620 766 A CB -0.430 18.700 19.000 0.218 0.000 0.819 766 A HN 0.232 nan 8.150 nan 0.000 0.442 767 I N 0.790 121.462 120.570 0.170 0.000 2.226 767 I HA -0.210 3.968 4.170 0.013 0.000 0.245 767 I C 1.759 177.953 176.117 0.129 0.000 1.100 767 I CA 1.546 62.950 61.300 0.173 0.000 1.374 767 I CB -1.478 36.657 38.000 0.225 0.000 1.057 767 I HN 0.322 nan 8.210 nan 0.000 0.413 768 D N 0.899 121.367 120.400 0.113 0.000 2.117 768 D HA -0.163 4.485 4.640 0.013 0.000 0.197 768 D C 1.874 178.224 176.300 0.085 0.000 0.987 768 D CA 1.040 55.095 54.000 0.093 0.000 0.829 768 D CB -0.302 40.547 40.800 0.081 0.000 0.961 768 D HN 0.338 nan 8.370 nan 0.000 0.460 769 N N 0.811 119.555 118.700 0.074 0.000 2.084 769 N HA -0.072 4.676 4.740 0.013 0.000 0.190 769 N C 2.195 177.751 175.510 0.078 0.000 1.030 769 N CA 0.445 53.527 53.050 0.054 0.000 0.849 769 N CB -0.322 38.173 38.487 0.012 0.000 1.012 769 N HN 0.264 nan 8.380 nan 0.000 0.423 770 I N 1.436 122.053 120.570 0.078 0.000 2.286 770 I HA -0.241 3.937 4.170 0.013 0.000 0.248 770 I C 1.751 177.957 176.117 0.149 0.000 1.115 770 I CA 0.814 62.180 61.300 0.110 0.000 1.392 770 I CB -0.218 37.837 38.000 0.092 0.000 1.065 770 I HN 0.093 nan 8.210 nan 0.000 0.418 771 N N 0.980 119.750 118.700 0.117 0.000 2.120 771 N HA -0.157 4.591 4.740 0.013 0.000 0.188 771 N C 1.582 177.151 175.510 0.097 0.000 1.024 771 N CA 1.226 54.337 53.050 0.102 0.000 0.852 771 N CB -0.524 38.020 38.487 0.094 0.000 1.003 771 N HN 0.369 nan 8.380 nan 0.000 0.424 772 N N 0.541 119.305 118.700 0.107 0.000 2.120 772 N HA -0.130 4.618 4.740 0.013 0.000 0.188 772 N C 1.688 177.265 175.510 0.112 0.000 1.024 772 N CA 0.508 53.620 53.050 0.103 0.000 0.852 772 N CB -0.578 37.967 38.487 0.097 0.000 1.003 772 N HN 0.198 nan 8.380 nan 0.000 0.424 773 F N 2.404 122.341 119.950 -0.021 0.000 2.046 773 F HA -0.137 4.391 4.527 0.002 0.000 0.297 773 F C 2.136 177.895 175.800 -0.068 0.000 1.123 773 F CA 1.177 59.144 58.000 -0.056 0.000 1.199 773 F CB -0.362 38.574 39.000 -0.107 0.000 0.972 773 F HN -0.123 nan 8.300 nan 0.000 0.474 774 I N 0.902 121.366 120.570 -0.178 0.000 2.226 774 I HA -0.298 3.880 4.170 0.013 0.000 0.245 774 I C 2.002 177.904 176.117 -0.358 0.000 1.100 774 I CA 1.261 62.346 61.300 -0.357 0.000 1.374 774 I CB -1.667 36.295 38.000 -0.064 0.000 1.057 774 I HN 0.249 nan 8.210 nan 0.000 0.413 775 N N 1.271 119.900 118.700 -0.118 0.000 2.166 775 N HA -0.112 4.636 4.740 0.013 0.000 0.186 775 N C 2.003 177.498 175.510 -0.025 0.000 1.019 775 N CA 1.487 54.525 53.050 -0.020 0.000 0.856 775 N CB -0.685 37.849 38.487 0.077 0.000 0.993 775 N HN 0.415 nan 8.380 nan 0.000 0.426 776 G N 0.203 108.970 108.800 -0.055 0.000 2.422 776 G HA2 -0.226 3.742 3.960 0.013 0.000 0.218 776 G HA3 -0.226 3.742 3.960 0.013 0.000 0.218 776 G C 1.857 176.730 174.900 -0.046 0.000 1.146 776 G CA 0.884 46.005 45.100 0.034 0.000 0.769 776 G HN 0.355 nan 8.290 nan 0.000 0.547 777 C N 0.038 119.137 119.300 -0.336 0.000 2.429 777 C HA 0.012 4.480 4.460 0.013 0.000 0.277 777 C C 3.325 178.108 174.990 -0.346 0.000 1.262 777 C CA 1.238 60.019 59.018 -0.396 0.000 1.733 777 C CB -0.782 26.490 27.740 -0.781 0.000 2.010 777 C HN 0.464 nan 8.230 nan 0.000 0.483 778 S N 0.395 115.809 115.700 -0.477 0.000 2.356 778 S HA -0.139 4.339 4.470 0.013 0.000 0.223 778 S C 1.859 176.690 174.600 0.384 0.000 1.032 778 S CA 1.899 60.168 58.200 0.115 0.000 1.005 778 S CB -0.196 63.170 63.200 0.276 0.000 0.867 778 S HN 0.410 nan 8.310 nan 0.000 0.449 779 V N 1.159 121.164 119.914 0.153 0.000 2.407 779 V HA -0.107 4.021 4.120 0.013 0.000 0.248 779 V C 2.651 178.480 176.094 -0.441 0.000 1.055 779 V CA 1.972 64.164 62.300 -0.181 0.000 1.049 779 V CB -1.070 30.589 31.823 -0.273 0.000 0.662 779 V HN 0.602 nan 8.190 nan 0.000 0.455 780 S N -0.958 114.624 115.700 -0.198 0.000 2.359 780 S HA -0.285 4.193 4.470 0.013 0.000 0.224 780 S C 2.007 176.565 174.600 -0.070 0.000 1.035 780 S CA 2.024 60.193 58.200 -0.052 0.000 1.018 780 S CB -0.467 62.817 63.200 0.141 0.000 0.876 780 S HN 0.656 nan 8.310 nan 0.000 0.448 781 Y N 1.453 121.731 120.300 -0.036 0.000 2.181 781 Y HA -0.087 4.465 4.550 0.002 0.000 0.288 781 Y C 2.125 177.958 175.900 -0.112 0.000 1.146 781 Y CA 1.821 59.929 58.100 0.014 0.000 1.164 781 Y CB -0.510 38.095 38.460 0.241 0.000 0.982 781 Y HN 0.379 nan 8.280 nan 0.000 0.515 782 L N -0.361 120.774 121.223 -0.147 0.000 1.989 782 L HA -0.251 4.097 4.340 0.013 0.000 0.211 782 L C 1.989 178.601 176.870 -0.430 0.000 1.071 782 L CA 2.018 56.552 54.840 -0.509 0.000 0.749 782 L CB -0.726 40.591 42.059 -1.237 0.000 0.890 782 L HN 0.193 nan 8.230 nan 0.000 0.431 783 M N -0.759 118.620 119.600 -0.369 0.000 2.254 783 M HA -0.105 4.383 4.480 0.013 0.000 0.265 783 M C 2.129 178.353 176.300 -0.127 0.000 1.066 783 M CA 1.571 56.744 55.300 -0.212 0.000 1.123 783 M CB -0.899 31.604 32.600 -0.161 0.000 1.388 783 M HN 0.320 nan 8.290 nan 0.000 0.425 784 K N -0.697 119.555 120.400 -0.246 0.000 2.335 784 K HA 0.069 4.397 4.320 0.013 0.000 0.195 784 K C 1.555 177.964 176.600 -0.319 0.000 1.058 784 K CA 0.247 56.336 56.287 -0.331 0.000 0.988 784 K CB 0.647 32.808 32.500 -0.565 0.000 0.880 784 K HN 0.030 nan 8.250 nan 0.000 0.513 785 K N -0.213 119.903 120.400 -0.472 0.000 2.355 785 K HA 0.277 4.605 4.320 0.013 0.000 0.198 785 K C 1.336 177.664 176.600 -0.453 0.000 1.039 785 K CA 0.421 56.355 56.287 -0.588 0.000 1.075 785 K CB 0.761 32.528 32.500 -1.222 0.000 0.870 785 K HN 0.133 nan 8.250 nan 0.000 0.540 786 M N -0.612 118.778 119.600 -0.351 0.000 2.902 786 M HA 0.156 4.644 4.480 0.013 0.000 0.225 786 M C 1.562 177.734 176.300 -0.213 0.000 1.711 786 M CA 0.102 55.259 55.300 -0.238 0.000 1.213 786 M CB 0.085 32.569 32.600 -0.193 0.000 1.265 786 M HN -0.175 nan 8.290 nan 0.000 0.577 787 I N 1.448 121.859 120.570 -0.266 0.000 2.151 787 I HA -0.189 3.989 4.170 0.013 0.000 0.243 787 I C -0.591 175.469 176.117 -0.094 0.000 1.080 787 I CA 2.141 63.294 61.300 -0.245 0.000 1.339 787 I CB -2.283 35.511 38.000 -0.343 0.000 1.039 787 I HN 0.122 nan 8.210 nan 0.000 0.409 788 P HA -0.128 nan 4.420 nan 0.000 0.216 788 P C 2.153 179.431 177.300 -0.037 0.000 1.150 788 P CA 1.222 64.322 63.100 -0.001 0.000 0.837 788 P CB -0.034 31.696 31.700 0.050 0.000 0.786 789 L N -1.625 119.555 121.223 -0.073 0.000 2.201 789 L HA -0.093 4.255 4.340 0.013 0.000 0.212 789 L C 2.324 179.132 176.870 -0.103 0.000 1.105 789 L CA 1.313 56.104 54.840 -0.082 0.000 0.775 789 L CB -0.998 41.006 42.059 -0.092 0.000 0.913 789 L HN -0.016 nan 8.230 nan 0.000 0.440 790 A N -0.333 122.416 122.820 -0.117 0.000 1.935 790 A HA -0.046 4.282 4.320 0.013 0.000 0.214 790 A C 2.306 179.755 177.584 -0.226 0.000 1.178 790 A CA 0.810 52.748 52.037 -0.165 0.000 0.640 790 A CB -0.491 18.428 19.000 -0.135 0.000 0.825 790 A HN 0.137 nan 8.150 nan 0.000 0.447 791 V N 0.414 120.249 119.914 -0.132 0.000 2.407 791 V HA -0.289 3.839 4.120 0.013 0.000 0.248 791 V C 2.505 178.511 176.094 -0.148 0.000 1.055 791 V CA 2.350 64.562 62.300 -0.147 0.000 1.049 791 V CB -0.695 31.157 31.823 0.050 0.000 0.662 791 V HN 0.808 nan 8.190 nan 0.000 0.455 792 E N 0.146 120.292 120.200 -0.090 0.000 2.058 792 E HA -0.270 4.088 4.350 0.013 0.000 0.194 792 E C 2.258 178.806 176.600 -0.087 0.000 0.997 792 E CA 1.395 57.758 56.400 -0.062 0.000 0.801 792 E CB -0.006 29.667 29.700 -0.046 0.000 0.746 792 E HN 0.404 nan 8.360 nan 0.000 0.450 793 K N 0.367 120.687 120.400 -0.133 0.000 2.057 793 K HA -0.093 4.235 4.320 0.013 0.000 0.206 793 K C 2.326 178.825 176.600 -0.168 0.000 1.050 793 K CA 0.839 57.047 56.287 -0.133 0.000 0.935 793 K CB -0.397 32.008 32.500 -0.158 0.000 0.715 793 K HN 0.306 nan 8.250 nan 0.000 0.439 794 L N 0.709 121.711 121.223 -0.369 0.000 2.093 794 L HA -0.130 4.218 4.340 0.013 0.000 0.208 794 L C 2.423 179.203 176.870 -0.150 0.000 1.085 794 L CA 0.805 55.296 54.840 -0.582 0.000 0.755 794 L CB -0.427 40.633 42.059 -1.665 0.000 0.904 794 L HN 0.080 nan 8.230 nan 0.000 0.435 795 L N -0.519 120.664 121.223 -0.066 0.000 2.056 795 L HA -0.209 4.139 4.340 0.013 0.000 0.207 795 L C 2.299 179.217 176.870 0.080 0.000 1.078 795 L CA 1.158 56.075 54.840 0.127 0.000 0.749 795 L CB -0.518 41.605 42.059 0.107 0.000 0.901 795 L HN 0.278 nan 8.230 nan 0.000 0.433 796 D N 0.205 120.625 120.400 0.034 0.000 2.097 796 D HA -0.282 4.366 4.640 0.013 0.000 0.195 796 D C 2.035 178.355 176.300 0.035 0.000 0.989 796 D CA 1.295 55.310 54.000 0.025 0.000 0.827 796 D CB -0.125 40.683 40.800 0.014 0.000 0.966 796 D HN 0.204 nan 8.370 nan 0.000 0.456 797 F N 1.315 121.217 119.950 -0.080 0.000 2.091 797 F HA -0.203 4.332 4.527 0.013 0.000 0.299 797 F C 1.808 177.568 175.800 -0.066 0.000 1.103 797 F CA 1.903 59.846 58.000 -0.095 0.000 1.228 797 F CB -0.576 38.339 39.000 -0.142 0.000 0.984 797 F HN -0.111 nan 8.300 nan 0.000 0.477 798 D N 0.038 120.359 120.400 -0.132 0.000 2.123 798 D HA -0.242 4.406 4.640 0.013 0.000 0.196 798 D C 2.180 178.350 176.300 -0.217 0.000 0.992 798 D CA 1.524 55.414 54.000 -0.183 0.000 0.833 798 D CB -0.759 40.123 40.800 0.136 0.000 0.954 798 D HN 0.505 nan 8.370 nan 0.000 0.455 799 N N -0.393 118.236 118.700 -0.117 0.000 2.084 799 N HA -0.142 4.606 4.740 0.013 0.000 0.190 799 N C 1.444 176.869 175.510 -0.140 0.000 1.030 799 N CA 1.572 54.565 53.050 -0.095 0.000 0.849 799 N CB 0.113 38.573 38.487 -0.045 0.000 1.012 799 N HN 0.051 nan 8.380 nan 0.000 0.423 800 T N 1.680 116.130 114.554 -0.174 0.000 2.684 800 T HA -0.157 4.201 4.350 0.013 0.000 0.267 800 T C 1.866 176.420 174.700 -0.243 0.000 1.036 800 T CA 0.932 62.930 62.100 -0.169 0.000 1.148 800 T CB -0.330 68.454 68.868 -0.140 0.000 0.863 800 T HN 0.173 nan 8.240 nan 0.000 0.436 801 L N 1.172 122.121 121.223 -0.457 0.000 2.141 801 L HA 0.077 4.425 4.340 0.013 0.000 0.209 801 L C 2.299 179.010 176.870 -0.264 0.000 1.094 801 L CA 1.718 56.270 54.840 -0.481 0.000 0.763 801 L CB -0.482 41.044 42.059 -0.887 0.000 0.908 801 L HN 0.086 nan 8.230 nan 0.000 0.437 802 K N 0.308 120.578 120.400 -0.216 0.000 2.002 802 K HA -0.256 4.072 4.320 0.013 0.000 0.209 802 K C 2.157 178.714 176.600 -0.071 0.000 1.048 802 K CA 2.068 58.283 56.287 -0.120 0.000 0.930 802 K CB -0.132 32.313 32.500 -0.092 0.000 0.714 802 K HN 0.544 nan 8.250 nan 0.000 0.438 803 K N 0.152 120.512 120.400 -0.066 0.000 2.148 803 K HA -0.161 4.167 4.320 0.013 0.000 0.204 803 K C 1.936 178.529 176.600 -0.012 0.000 1.050 803 K CA 1.579 57.847 56.287 -0.031 0.000 0.942 803 K CB -0.353 32.129 32.500 -0.029 0.000 0.724 803 K HN 0.055 nan 8.250 nan 0.000 0.446 804 N N 1.762 120.441 118.700 -0.034 0.000 2.084 804 N HA -0.136 4.612 4.740 0.013 0.000 0.190 804 N C 1.772 177.308 175.510 0.044 0.000 1.030 804 N CA 1.430 54.479 53.050 -0.002 0.000 0.849 804 N CB -0.140 38.321 38.487 -0.044 0.000 1.012 804 N HN 0.314 nan 8.380 nan 0.000 0.423 805 L N 0.459 121.689 121.223 0.011 0.000 2.027 805 L HA -0.104 4.244 4.340 0.013 0.000 0.206 805 L C 2.541 179.485 176.870 0.122 0.000 1.074 805 L CA 0.730 55.607 54.840 0.061 0.000 0.745 805 L CB -0.623 41.441 42.059 0.008 0.000 0.898 805 L HN 0.141 nan 8.230 nan 0.000 0.433 806 L N 0.019 121.278 121.223 0.061 0.000 1.989 806 L HA -0.277 4.071 4.340 0.013 0.000 0.211 806 L C 2.582 179.497 176.870 0.074 0.000 1.071 806 L CA 1.593 56.466 54.840 0.055 0.000 0.749 806 L CB -0.910 41.161 42.059 0.021 0.000 0.890 806 L HN 0.447 nan 8.230 nan 0.000 0.431 807 N N -0.123 118.621 118.700 0.073 0.000 2.205 807 N HA -0.286 4.462 4.740 0.013 0.000 0.186 807 N C 2.005 177.580 175.510 0.109 0.000 1.015 807 N CA 1.645 54.739 53.050 0.073 0.000 0.862 807 N CB -0.120 38.406 38.487 0.065 0.000 0.986 807 N HN 0.390 nan 8.380 nan 0.000 0.429 808 Y N 1.372 121.687 120.300 0.026 0.000 2.200 808 Y HA 0.040 4.598 4.550 0.014 0.000 0.290 808 Y C 2.261 178.192 175.900 0.053 0.000 1.137 808 Y CA 1.226 59.351 58.100 0.041 0.000 1.163 808 Y CB -0.270 38.219 38.460 0.047 0.000 0.988 808 Y HN 0.022 nan 8.280 nan 0.000 0.518 809 I N 0.108 120.748 120.570 0.117 0.000 2.756 809 I HA -0.207 3.971 4.170 0.013 0.000 0.262 809 I C 1.846 177.954 176.117 -0.016 0.000 1.225 809 I CA 1.401 62.725 61.300 0.039 0.000 1.472 809 I CB -0.342 37.707 38.000 0.081 0.000 1.094 809 I HN 0.281 nan 8.210 nan 0.000 0.454 810 D N 1.287 121.680 120.400 -0.011 0.000 2.146 810 D HA -0.143 4.505 4.640 0.013 0.000 0.209 810 D C 1.937 178.213 176.300 -0.040 0.000 0.973 810 D CA 1.206 55.196 54.000 -0.018 0.000 0.860 810 D CB 0.026 40.825 40.800 -0.001 0.000 1.015 810 D HN 0.255 nan 8.370 nan 0.000 0.465 811 E N -0.189 119.980 120.200 -0.051 0.000 2.331 811 E HA -0.119 4.239 4.350 0.013 0.000 0.199 811 E C 1.027 177.615 176.600 -0.020 0.000 1.008 811 E CA 0.523 56.898 56.400 -0.042 0.000 0.843 811 E CB -0.011 29.662 29.700 -0.046 0.000 0.761 811 E HN 0.297 nan 8.360 nan 0.000 0.507 812 N N 0.401 119.059 118.700 -0.070 0.000 2.184 812 N HA 0.003 4.751 4.740 0.013 0.000 0.206 812 N C 1.145 176.666 175.510 0.020 0.000 1.151 812 N CA -0.015 53.079 53.050 0.074 0.000 0.878 812 N CB 0.463 38.889 38.487 -0.101 0.000 1.014 812 N HN 0.102 nan 8.380 nan 0.000 0.512 813 K N 1.560 121.928 120.400 -0.052 0.000 2.090 813 K HA -0.198 4.130 4.320 0.013 0.000 0.218 813 K C 1.717 178.248 176.600 -0.116 0.000 1.055 813 K CA 1.395 57.643 56.287 -0.066 0.000 0.941 813 K CB -0.094 32.366 32.500 -0.067 0.000 0.722 813 K HN 0.102 nan 8.250 nan 0.000 0.458 814 L N -0.489 120.576 121.223 -0.264 0.000 1.961 814 L HA -0.206 4.142 4.340 0.013 0.000 0.210 814 L C 2.374 179.065 176.870 -0.298 0.000 1.072 814 L CA 1.723 56.340 54.840 -0.371 0.000 0.749 814 L CB -0.842 40.828 42.059 -0.649 0.000 0.889 814 L HN 0.280 nan 8.230 nan 0.000 0.432 815 Y N -0.234 120.054 120.300 -0.019 0.000 2.651 815 Y HA -0.153 4.405 4.550 0.013 0.000 0.293 815 Y C 2.042 177.944 175.900 0.003 0.000 1.151 815 Y CA 0.340 58.435 58.100 -0.008 0.000 1.362 815 Y CB -0.587 37.866 38.460 -0.011 0.000 0.973 815 Y HN 0.192 nan 8.280 nan 0.000 0.561 816 L N -1.457 119.819 121.223 0.087 0.000 2.638 816 L HA 0.129 4.477 4.340 0.013 0.000 0.232 816 L C 0.879 177.778 176.870 0.049 0.000 1.099 816 L CA -0.303 54.585 54.840 0.080 0.000 0.883 816 L CB -0.095 42.007 42.059 0.071 0.000 1.136 816 L HN 0.081 nan 8.230 nan 0.000 0.492 817 I N 0.857 121.433 120.570 0.011 0.000 4.907 817 I HA -0.370 3.808 4.170 0.013 0.000 0.038 817 I C 1.506 177.632 176.117 0.016 0.000 0.635 817 I CA 1.859 63.158 61.300 -0.001 0.000 0.213 817 I CB -1.648 36.355 38.000 0.006 0.000 0.323 817 I HN 0.231 nan 8.210 nan 0.000 0.151 818 G N -0.187 108.625 108.800 0.021 0.000 3.455 818 G HA2 0.442 4.410 3.960 0.013 0.000 0.250 818 G HA3 0.442 4.410 3.960 0.013 0.000 0.250 818 G C 0.487 175.418 174.900 0.053 0.000 1.071 818 G CA 0.599 45.715 45.100 0.027 0.000 1.812 818 G HN 0.971 nan 8.290 nan 0.000 0.643 819 S N -2.324 113.427 115.700 0.085 0.000 2.391 819 S HA 0.256 4.734 4.470 0.013 0.000 0.275 819 S C 2.006 176.700 174.600 0.157 0.000 1.032 819 S CA 0.989 59.287 58.200 0.163 0.000 1.421 819 S CB -0.182 63.131 63.200 0.189 0.000 1.176 819 S HN 0.605 nan 8.310 nan 0.000 0.615 820 A N 1.625 124.500 122.820 0.092 0.000 2.093 820 A HA -0.119 4.209 4.320 0.013 0.000 0.222 820 A C 2.002 179.621 177.584 0.059 0.000 1.162 820 A CA 2.164 54.239 52.037 0.064 0.000 0.655 820 A CB -0.655 18.364 19.000 0.032 0.000 0.805 820 A HN 0.588 nan 8.150 nan 0.000 0.461 821 E N -1.887 118.360 120.200 0.079 0.000 2.216 821 E HA -0.038 4.320 4.350 0.013 0.000 0.192 821 E C 1.655 178.316 176.600 0.102 0.000 0.973 821 E CA 0.850 57.293 56.400 0.072 0.000 0.851 821 E CB -0.445 29.295 29.700 0.066 0.000 0.804 821 E HN 0.656 nan 8.360 nan 0.000 0.477 822 Y N 1.483 121.795 120.300 0.022 0.000 2.200 822 Y HA -0.021 4.537 4.550 0.014 0.000 0.290 822 Y C 1.326 177.244 175.900 0.030 0.000 1.137 822 Y CA 1.929 60.042 58.100 0.023 0.000 1.163 822 Y CB -0.010 38.464 38.460 0.023 0.000 0.988 822 Y HN 0.042 nan 8.280 nan 0.000 0.518 823 E N -0.243 119.802 120.200 -0.258 0.000 2.489 823 E HA -0.033 4.325 4.350 0.013 0.000 0.193 823 E C 1.695 178.212 176.600 -0.139 0.000 1.057 823 E CA 0.108 56.309 56.400 -0.330 0.000 0.866 823 E CB 0.178 29.795 29.700 -0.139 0.000 0.916 823 E HN 0.399 nan 8.360 nan 0.000 0.500 824 K N 0.669 121.026 120.400 -0.071 0.000 2.166 824 K HA -0.049 4.279 4.320 0.013 0.000 0.201 824 K C 2.187 178.762 176.600 -0.042 0.000 1.052 824 K CA 1.166 57.437 56.287 -0.027 0.000 0.969 824 K CB 0.232 32.734 32.500 0.003 0.000 0.761 824 K HN 0.049 nan 8.250 nan 0.000 0.459 825 S N 0.201 115.868 115.700 -0.054 0.000 2.461 825 S HA -0.062 4.416 4.470 0.013 0.000 0.228 825 S C 1.890 176.443 174.600 -0.079 0.000 1.005 825 S CA 0.605 58.779 58.200 -0.042 0.000 0.942 825 S CB -0.039 63.157 63.200 -0.007 0.000 0.776 825 S HN 0.260 nan 8.310 nan 0.000 0.514 826 K N 1.146 121.450 120.400 -0.160 0.000 2.103 826 K HA -0.062 4.266 4.320 0.013 0.000 0.207 826 K C 1.815 178.355 176.600 -0.100 0.000 1.048 826 K CA 1.615 57.790 56.287 -0.186 0.000 0.930 826 K CB -0.352 31.956 32.500 -0.321 0.000 0.716 826 K HN 0.339 nan 8.250 nan 0.000 0.444 827 V N 1.613 121.482 119.914 -0.076 0.000 2.307 827 V HA -0.231 3.897 4.120 0.013 0.000 0.245 827 V C 1.686 177.753 176.094 -0.045 0.000 1.045 827 V CA 2.058 64.328 62.300 -0.050 0.000 1.024 827 V CB -0.767 31.036 31.823 -0.033 0.000 0.651 827 V HN 0.386 nan 8.190 nan 0.000 0.449 828 N N 1.220 119.896 118.700 -0.040 0.000 2.043 828 N HA -0.207 4.541 4.740 0.013 0.000 0.193 828 N C 1.769 177.262 175.510 -0.028 0.000 1.037 828 N CA 1.855 54.887 53.050 -0.030 0.000 0.851 828 N CB -0.402 38.072 38.487 -0.021 0.000 1.027 828 N HN 0.682 nan 8.380 nan 0.000 0.422 829 K N -1.040 119.342 120.400 -0.029 0.000 2.288 829 K HA -0.122 4.206 4.320 0.013 0.000 0.201 829 K C 2.396 178.978 176.600 -0.030 0.000 1.048 829 K CA 1.438 57.712 56.287 -0.022 0.000 0.956 829 K CB -0.737 31.755 32.500 -0.014 0.000 0.746 829 K HN 0.417 nan 8.250 nan 0.000 0.461 830 Y N 2.196 122.472 120.300 -0.040 0.000 2.153 830 Y HA 0.154 4.712 4.550 0.013 0.000 0.289 830 Y C 2.195 178.057 175.900 -0.065 0.000 1.119 830 Y CA 0.958 59.030 58.100 -0.047 0.000 1.116 830 Y CB -0.731 37.705 38.460 -0.041 0.000 1.004 830 Y HN -0.003 nan 8.280 nan 0.000 0.501 831 L N 0.323 121.511 121.223 -0.058 0.000 2.622 831 L HA -0.070 4.278 4.340 0.013 0.000 0.233 831 L C 2.218 179.060 176.870 -0.047 0.000 1.156 831 L CA 1.212 56.016 54.840 -0.061 0.000 0.866 831 L CB -0.267 41.760 42.059 -0.054 0.000 0.980 831 L HN 0.360 nan 8.230 nan 0.000 0.448 832 K N 0.727 121.102 120.400 -0.042 0.000 2.021 832 K HA -0.032 4.296 4.320 0.013 0.000 0.205 832 K C 0.920 177.501 176.600 -0.033 0.000 1.047 832 K CA 0.887 57.159 56.287 -0.024 0.000 0.943 832 K CB -0.157 32.334 32.500 -0.015 0.000 0.725 832 K HN 0.239 nan 8.250 nan 0.000 0.439 833 T N 1.031 115.551 114.554 -0.056 0.000 2.749 833 T HA 0.393 4.751 4.350 0.013 0.000 0.295 833 T C 0.730 175.323 174.700 -0.178 0.000 0.936 833 T CA -0.802 61.257 62.100 -0.068 0.000 1.060 833 T CB 0.009 68.852 68.868 -0.043 0.000 0.904 833 T HN 0.255 nan 8.240 nan 0.000 0.500 834 I N 0.880 121.332 120.570 -0.197 0.000 2.797 834 I HA 0.506 4.684 4.170 0.013 0.000 0.310 834 I C 0.298 176.208 176.117 -0.345 0.000 0.990 834 I CA -1.487 59.514 61.300 -0.499 0.000 1.228 834 I CB 1.281 39.094 38.000 -0.310 0.000 1.406 834 I HN 0.623 nan 8.210 nan 0.000 0.534 835 M N 4.478 123.770 119.600 -0.514 0.000 2.143 835 M HA 0.409 4.897 4.480 0.013 0.000 0.348 835 M C -2.423 174.103 176.300 0.376 0.000 1.375 835 M CA -1.519 53.787 55.300 0.010 0.000 1.124 835 M CB 0.509 33.184 32.600 0.126 0.000 1.669 835 M HN 0.407 nan 8.290 nan 0.000 0.469 836 P HA 0.065 nan 4.420 nan 0.000 0.271 836 P C -1.199 176.290 177.300 0.314 0.000 1.216 836 P CA -0.181 63.092 63.100 0.288 0.000 0.771 836 P CB 0.252 32.058 31.700 0.178 0.000 0.864 837 F N 3.333 123.301 119.950 0.029 0.000 2.467 837 F HA 0.301 4.836 4.527 0.014 0.000 0.362 837 F C -0.032 175.793 175.800 0.042 0.000 1.090 837 F CA -0.347 57.499 58.000 -0.256 0.000 1.202 837 F CB 0.187 38.808 39.000 -0.631 0.000 1.113 837 F HN 0.170 nan 8.300 nan 0.000 0.541 838 D N 5.967 125.949 120.400 -0.697 0.000 2.473 838 D HA 0.143 4.791 4.640 0.013 0.000 0.253 838 D C 0.468 176.210 176.300 -0.929 0.000 1.233 838 D CA -0.499 53.140 54.000 -0.602 0.000 0.908 838 D CB 1.162 41.841 40.800 -0.201 0.000 1.170 838 D HN 0.551 nan 8.370 nan 0.000 0.558 839 L N 3.702 124.061 121.223 -1.440 0.000 2.127 839 L HA -0.107 4.241 4.340 0.013 0.000 0.211 839 L C 1.978 178.616 176.870 -0.388 0.000 1.089 839 L CA 2.423 56.689 54.840 -0.957 0.000 0.757 839 L CB -0.708 40.536 42.059 -1.358 0.000 0.899 839 L HN 0.548 nan 8.230 nan 0.000 0.434 840 S N -1.066 114.433 115.700 -0.335 0.000 2.442 840 S HA -0.156 4.322 4.470 0.013 0.000 0.236 840 S C 1.933 176.404 174.600 -0.215 0.000 1.007 840 S CA 1.124 59.220 58.200 -0.174 0.000 0.965 840 S CB -0.768 62.371 63.200 -0.103 0.000 0.773 840 S HN 0.417 nan 8.310 nan 0.000 0.504 841 I N 0.390 120.741 120.570 -0.365 0.000 2.493 841 I HA -0.035 4.143 4.170 0.013 0.000 0.254 841 I C 1.425 177.174 176.117 -0.614 0.000 1.160 841 I CA 1.077 62.054 61.300 -0.538 0.000 1.445 841 I CB -1.400 36.129 38.000 -0.785 0.000 1.086 841 I HN 0.337 nan 8.210 nan 0.000 0.433 842 Y N -0.017 120.270 120.300 -0.021 0.000 2.458 842 Y HA 0.244 4.803 4.550 0.014 0.000 0.256 842 Y C 1.087 177.009 175.900 0.036 0.000 1.159 842 Y CA -0.179 57.948 58.100 0.044 0.000 1.261 842 Y CB 0.280 38.808 38.460 0.115 0.000 1.119 842 Y HN 0.028 nan 8.280 nan 0.000 0.524 843 T N -0.044 114.554 114.554 0.072 0.000 2.893 843 T HA 0.276 4.634 4.350 0.013 0.000 0.337 843 T C -1.123 173.586 174.700 0.015 0.000 1.587 843 T CA -0.771 61.369 62.100 0.067 0.000 1.066 843 T CB 0.483 69.426 68.868 0.125 0.000 1.414 843 T HN 0.259 nan 8.240 nan 0.000 0.488 844 N N 1.193 119.904 118.700 0.018 0.000 2.291 844 N HA 0.207 4.955 4.740 0.013 0.000 0.244 844 N C -0.534 174.993 175.510 0.028 0.000 1.216 844 N CA -0.653 52.400 53.050 0.006 0.000 0.879 844 N CB 0.610 39.087 38.487 -0.016 0.000 1.167 844 N HN 0.561 nan 8.380 nan 0.000 0.515 845 D N 0.811 121.243 120.400 0.052 0.000 2.346 845 D HA 0.027 4.675 4.640 0.013 0.000 0.260 845 D C 0.403 176.744 176.300 0.068 0.000 1.252 845 D CA 0.238 54.276 54.000 0.064 0.000 0.895 845 D CB 1.028 41.879 40.800 0.086 0.000 1.097 845 D HN 0.132 nan 8.370 nan 0.000 0.489 846 T N 4.767 119.356 114.554 0.057 0.000 2.653 846 T HA -0.188 4.170 4.350 0.013 0.000 0.268 846 T C 1.986 176.736 174.700 0.083 0.000 1.035 846 T CA 0.725 62.863 62.100 0.063 0.000 1.154 846 T CB 0.106 69.005 68.868 0.051 0.000 0.862 846 T HN 0.521 nan 8.240 nan 0.000 0.441 847 I N 0.967 121.588 120.570 0.085 0.000 2.163 847 I HA -0.102 4.076 4.170 0.013 0.000 0.243 847 I C 2.435 178.632 176.117 0.133 0.000 1.085 847 I CA 1.340 62.700 61.300 0.101 0.000 1.347 847 I CB -1.439 36.615 38.000 0.091 0.000 1.044 847 I HN 0.283 nan 8.210 nan 0.000 0.408 848 L N 0.026 121.333 121.223 0.141 0.000 2.027 848 L HA -0.197 4.151 4.340 0.013 0.000 0.206 848 L C 2.606 179.603 176.870 0.213 0.000 1.074 848 L CA 0.962 55.921 54.840 0.198 0.000 0.745 848 L CB -0.441 41.734 42.059 0.194 0.000 0.898 848 L HN 0.143 nan 8.230 nan 0.000 0.433 849 I N 0.136 120.800 120.570 0.156 0.000 2.208 849 I HA -0.265 3.913 4.170 0.013 0.000 0.245 849 I C 2.440 178.682 176.117 0.209 0.000 1.097 849 I CA 1.588 62.986 61.300 0.162 0.000 1.363 849 I CB -1.174 36.886 38.000 0.100 0.000 1.051 849 I HN 0.369 nan 8.210 nan 0.000 0.413 850 E N 0.383 120.679 120.200 0.161 0.000 2.077 850 E HA -0.218 4.140 4.350 0.013 0.000 0.193 850 E C 2.326 179.031 176.600 0.174 0.000 0.989 850 E CA 1.219 57.706 56.400 0.144 0.000 0.800 850 E CB -0.175 29.592 29.700 0.111 0.000 0.746 850 E HN 0.448 nan 8.360 nan 0.000 0.452 851 M N -0.100 119.625 119.600 0.209 0.000 2.080 851 M HA -0.178 4.310 4.480 0.013 0.000 0.260 851 M C 2.184 178.653 176.300 0.282 0.000 1.068 851 M CA 1.391 56.831 55.300 0.233 0.000 1.109 851 M CB -0.290 32.473 32.600 0.271 0.000 1.342 851 M HN 0.103 nan 8.290 nan 0.000 0.405 852 F N 1.647 121.674 119.950 0.127 0.000 2.075 852 F HA -0.225 4.309 4.527 0.011 0.000 0.297 852 F C 2.144 178.016 175.800 0.120 0.000 1.113 852 F CA 1.688 59.744 58.000 0.093 0.000 1.218 852 F CB -0.531 38.495 39.000 0.044 0.000 0.984 852 F HN 0.160 nan 8.300 nan 0.000 0.472 853 N N 0.657 119.450 118.700 0.156 0.000 2.166 853 N HA -0.202 4.547 4.740 0.013 0.000 0.186 853 N C 1.883 177.404 175.510 0.018 0.000 1.019 853 N CA 1.291 54.357 53.050 0.028 0.000 0.856 853 N CB -0.532 38.006 38.487 0.085 0.000 0.993 853 N HN 0.381 nan 8.380 nan 0.000 0.426 854 K N 0.042 120.489 120.400 0.078 0.000 2.002 854 K HA -0.189 4.139 4.320 0.013 0.000 0.209 854 K C 2.108 178.743 176.600 0.059 0.000 1.048 854 K CA 1.060 57.388 56.287 0.069 0.000 0.930 854 K CB -0.340 32.219 32.500 0.099 0.000 0.714 854 K HN 0.117 nan 8.250 nan 0.000 0.438 855 Y N 1.928 122.200 120.300 -0.047 0.000 2.114 855 Y HA -0.276 4.280 4.550 0.010 0.000 0.282 855 Y C 1.723 177.550 175.900 -0.123 0.000 1.165 855 Y CA 2.078 60.134 58.100 -0.074 0.000 1.148 855 Y CB -0.170 38.243 38.460 -0.079 0.000 0.972 855 Y HN 0.244 nan 8.280 nan 0.000 0.504 856 N N -0.357 118.326 118.700 -0.028 0.000 2.512 856 N HA -0.106 4.642 4.740 0.013 0.000 0.183 856 N C 1.696 177.152 175.510 -0.089 0.000 1.073 856 N CA 1.206 54.191 53.050 -0.109 0.000 0.911 856 N CB -0.335 38.011 38.487 -0.236 0.000 0.964 856 N HN 0.513 nan 8.380 nan 0.000 0.447 857 S N -0.663 114.994 115.700 -0.072 0.000 2.548 857 S HA 0.131 4.609 4.470 0.013 0.000 0.215 857 S C 0.428 174.992 174.600 -0.059 0.000 0.976 857 S CA -0.241 57.930 58.200 -0.048 0.000 0.908 857 S CB 0.091 63.276 63.200 -0.025 0.000 0.781 857 S HN 0.115 nan 8.310 nan 0.000 0.519 858 E N 1.033 121.170 120.200 -0.104 0.000 2.044 858 E HA 0.309 4.667 4.350 0.013 0.000 0.282 858 E C 0.425 176.969 176.600 -0.094 0.000 1.031 858 E CA -0.355 55.980 56.400 -0.108 0.000 0.824 858 E CB 1.036 30.640 29.700 -0.160 0.000 1.076 858 E HN 0.210 nan 8.360 nan 0.000 0.395 859 I N 4.084 124.638 120.570 -0.027 0.000 2.300 859 I HA -0.321 3.857 4.170 0.013 0.000 0.252 859 I C 1.435 177.621 176.117 0.115 0.000 1.119 859 I CA 1.603 62.930 61.300 0.044 0.000 1.384 859 I CB 0.058 38.080 38.000 0.038 0.000 1.062 859 I HN 0.629 nan 8.210 nan 0.000 0.426 860 L N 0.153 121.404 121.223 0.047 0.000 2.353 860 L HA -0.158 4.190 4.340 0.013 0.000 0.220 860 L C 1.651 178.463 176.870 -0.097 0.000 1.133 860 L CA 0.714 55.565 54.840 0.019 0.000 0.798 860 L CB -0.900 41.150 42.059 -0.015 0.000 0.922 860 L HN 0.313 nan 8.230 nan 0.000 0.445 861 N N 0.027 118.626 118.700 -0.168 0.000 2.461 861 N HA -0.058 4.690 4.740 0.013 0.000 0.188 861 N C 1.022 176.494 175.510 -0.064 0.000 1.134 861 N CA 0.459 53.361 53.050 -0.247 0.000 0.878 861 N CB -0.047 38.029 38.487 -0.685 0.000 0.972 861 N HN 0.405 nan 8.380 nan 0.000 0.456 862 N N 0.569 119.264 118.700 -0.008 0.000 2.336 862 N HA 0.113 4.861 4.740 0.013 0.000 0.189 862 N C 0.170 175.646 175.510 -0.055 0.000 1.113 862 N CA 0.009 53.098 53.050 0.064 0.000 0.858 862 N CB 1.023 39.620 38.487 0.183 0.000 0.970 862 N HN 0.246 nan 8.380 nan 0.000 0.471 863 I N 2.395 122.818 120.570 -0.245 0.000 2.505 863 I HA 0.011 4.189 4.170 0.013 0.000 0.287 863 I C 1.577 177.611 176.117 -0.138 0.000 1.104 863 I CA 0.118 61.121 61.300 -0.493 0.000 1.387 863 I CB 0.564 38.237 38.000 -0.544 0.000 1.404 863 I HN 0.032 nan 8.210 nan 0.000 0.528 864 I N 4.556 125.028 120.570 -0.163 0.000 4.018 864 I HA 0.370 4.548 4.170 0.013 0.000 0.337 864 I C -0.315 175.796 176.117 -0.010 0.000 1.327 864 I CA 0.056 61.310 61.300 -0.078 0.000 1.100 864 I CB 0.666 38.441 38.000 -0.375 0.000 1.025 864 I HN 0.374 nan 8.210 nan 0.000 0.396 865 L N 1.602 122.814 121.223 -0.019 0.000 2.588 865 L HA 0.573 4.921 4.340 0.013 0.000 0.263 865 L C -1.909 175.003 176.870 0.069 0.000 0.935 865 L CA -0.233 54.660 54.840 0.088 0.000 0.891 865 L CB 1.981 44.162 42.059 0.204 0.000 1.318 865 L HN 0.094 nan 8.230 nan 0.000 0.409 866 N N 4.733 123.498 118.700 0.107 0.000 2.685 866 N HA 0.373 5.121 4.740 0.013 0.000 0.252 866 N C -1.739 173.874 175.510 0.171 0.000 1.261 866 N CA -0.275 52.841 53.050 0.110 0.000 0.768 866 N CB 0.916 39.409 38.487 0.010 0.000 1.304 866 N HN 0.605 nan 8.380 nan 0.000 0.536 867 L N 3.130 124.521 121.223 0.281 0.000 2.385 867 L HA 0.403 4.751 4.340 0.013 0.000 0.281 867 L C 0.554 177.590 176.870 0.277 0.000 1.106 867 L CA -0.174 54.811 54.840 0.242 0.000 0.856 867 L CB 0.189 42.394 42.059 0.243 0.000 1.186 867 L HN 0.126 nan 8.230 nan 0.000 0.453 868 R N 2.475 123.095 120.500 0.200 0.000 2.807 868 R HA 0.329 4.677 4.340 0.013 0.000 0.276 868 R C -1.034 175.393 176.300 0.211 0.000 0.979 868 R CA -1.046 55.201 56.100 0.246 0.000 0.928 868 R CB 1.915 32.328 30.300 0.190 0.000 1.191 868 R HN 0.343 nan 8.270 nan 0.000 0.471 869 Y N 1.787 122.166 120.300 0.133 0.000 2.319 869 Y HA 0.273 4.835 4.550 0.020 0.000 0.328 869 Y C -0.605 175.332 175.900 0.062 0.000 1.133 869 Y CA 0.394 58.548 58.100 0.089 0.000 1.265 869 Y CB 0.741 39.263 38.460 0.103 0.000 1.218 869 Y HN 0.151 nan 8.280 nan 0.000 0.508 870 K N 5.408 125.454 120.400 -0.590 0.000 2.589 870 K HA 0.124 4.452 4.320 0.013 0.000 0.253 870 K C -1.533 174.722 176.600 -0.575 0.000 0.974 870 K CA -0.661 55.361 56.287 -0.442 0.000 0.835 870 K CB 1.454 33.850 32.500 -0.173 0.000 1.272 870 K HN 0.885 nan 8.250 nan 0.000 0.444 871 D N 2.460 122.573 120.400 -0.479 0.000 2.904 871 D HA -0.207 4.441 4.640 0.013 0.000 0.231 871 D C 0.038 176.140 176.300 -0.330 0.000 1.185 871 D CA 0.549 54.375 54.000 -0.289 0.000 0.783 871 D CB -0.492 40.213 40.800 -0.158 0.000 0.961 871 D HN 0.740 nan 8.370 nan 0.000 0.409 872 N N 0.960 119.419 118.700 -0.402 0.000 2.698 872 N HA -0.266 4.482 4.740 0.013 0.000 0.258 872 N C -0.661 174.768 175.510 -0.134 0.000 0.978 872 N CA 1.566 54.570 53.050 -0.077 0.000 0.777 872 N CB -0.776 37.751 38.487 0.066 0.000 0.907 872 N HN 0.773 nan 8.380 nan 0.000 0.543 873 N N -0.511 117.999 118.700 -0.316 0.000 2.859 873 N HA 0.326 5.074 4.740 0.013 0.000 0.250 873 N C -1.396 174.014 175.510 -0.167 0.000 1.341 873 N CA -0.603 52.341 53.050 -0.177 0.000 0.881 873 N CB 1.068 39.454 38.487 -0.169 0.000 1.516 873 N HN -0.004 nan 8.380 nan 0.000 0.503 874 L N 3.344 124.502 121.223 -0.109 0.000 2.317 874 L HA 0.658 5.006 4.340 0.013 0.000 0.281 874 L C -0.205 176.612 176.870 -0.089 0.000 1.024 874 L CA -0.702 54.092 54.840 -0.076 0.000 0.810 874 L CB 1.278 43.248 42.059 -0.148 0.000 1.240 874 L HN 0.505 nan 8.230 nan 0.000 0.427 875 I N -1.473 119.070 120.570 -0.045 0.000 3.095 875 I HA 0.534 4.712 4.170 0.013 0.000 0.310 875 I C -1.289 174.832 176.117 0.006 0.000 1.196 875 I CA -0.960 60.317 61.300 -0.039 0.000 0.985 875 I CB 2.391 40.358 38.000 -0.055 0.000 1.250 875 I HN 0.366 nan 8.210 nan 0.000 0.446 876 D N 3.150 123.556 120.400 0.009 0.000 2.313 876 D HA 0.385 5.033 4.640 0.013 0.000 0.239 876 D C -0.020 176.283 176.300 0.005 0.000 1.142 876 D CA -0.247 53.775 54.000 0.037 0.000 0.847 876 D CB 1.210 42.043 40.800 0.055 0.000 1.082 876 D HN 0.649 nan 8.370 nan 0.000 0.480 877 L N 3.127 124.353 121.223 0.005 0.000 2.741 877 L HA 0.085 4.433 4.340 0.013 0.000 0.237 877 L C 1.907 178.737 176.870 -0.066 0.000 1.178 877 L CA -0.071 54.745 54.840 -0.040 0.000 0.973 877 L CB -0.120 41.920 42.059 -0.031 0.000 1.255 877 L HN 0.433 nan 8.230 nan 0.000 0.498 878 S N -0.613 115.065 115.700 -0.036 0.000 2.447 878 S HA -0.031 4.447 4.470 0.013 0.000 0.233 878 S C 1.702 176.205 174.600 -0.162 0.000 1.006 878 S CA 0.891 59.060 58.200 -0.052 0.000 0.957 878 S CB 0.060 63.297 63.200 0.062 0.000 0.773 878 S HN 0.561 nan 8.310 nan 0.000 0.507 879 G N -0.178 108.520 108.800 -0.170 0.000 2.176 879 G HA2 -0.279 3.689 3.960 0.013 0.000 0.232 879 G HA3 -0.279 3.689 3.960 0.013 0.000 0.232 879 G C 0.353 175.047 174.900 -0.343 0.000 0.986 879 G CA 0.279 45.209 45.100 -0.284 0.000 0.643 879 G HN 0.599 nan 8.290 nan 0.000 0.522 880 Y N 0.812 121.070 120.300 -0.070 0.000 2.466 880 Y HA 0.378 4.939 4.550 0.019 0.000 0.272 880 Y C 2.115 177.983 175.900 -0.053 0.000 1.169 880 Y CA 0.651 58.712 58.100 -0.064 0.000 1.285 880 Y CB 0.628 39.055 38.460 -0.055 0.000 1.078 880 Y HN 0.869 nan 8.280 nan 0.000 0.523 881 G N 0.983 109.813 108.800 0.050 0.000 2.249 881 G HA2 -0.266 3.702 3.960 0.013 0.000 0.273 881 G HA3 -0.266 3.702 3.960 0.013 0.000 0.273 881 G C 0.330 175.253 174.900 0.038 0.000 1.036 881 G CA 0.016 45.129 45.100 0.022 0.000 0.824 881 G HN 0.610 nan 8.290 nan 0.000 0.504 882 A N -0.240 122.617 122.820 0.062 0.000 2.531 882 A HA 0.507 4.835 4.320 0.013 0.000 0.236 882 A C 0.805 178.408 177.584 0.032 0.000 1.062 882 A CA 0.346 52.419 52.037 0.060 0.000 0.760 882 A CB 0.424 19.477 19.000 0.089 0.000 0.995 882 A HN 0.304 nan 8.150 nan 0.000 0.501 883 K N 1.602 122.017 120.400 0.025 0.000 2.258 883 K HA 0.437 4.765 4.320 0.013 0.000 0.284 883 K C -0.939 175.658 176.600 -0.005 0.000 1.051 883 K CA -0.258 56.029 56.287 0.001 0.000 0.923 883 K CB 1.357 33.857 32.500 0.000 0.000 1.046 883 K HN 0.334 nan 8.250 nan 0.000 0.474 884 V N 3.416 123.306 119.914 -0.039 0.000 2.407 884 V HA 0.189 4.317 4.120 0.013 0.000 0.291 884 V C -0.130 175.882 176.094 -0.136 0.000 1.018 884 V CA -0.808 61.448 62.300 -0.073 0.000 0.842 884 V CB 1.665 33.436 31.823 -0.086 0.000 0.996 884 V HN 0.546 nan 8.190 nan 0.000 0.426 885 E N 3.661 123.758 120.200 -0.172 0.000 2.092 885 E HA 0.421 4.779 4.350 0.013 0.000 0.271 885 E C -1.057 175.261 176.600 -0.470 0.000 0.919 885 E CA -0.349 55.843 56.400 -0.347 0.000 0.760 885 E CB 2.286 31.756 29.700 -0.382 0.000 1.106 885 E HN 0.419 nan 8.360 nan 0.000 0.408 886 V N 5.266 124.909 119.914 -0.453 0.000 2.328 886 V HA 0.236 4.364 4.120 0.013 0.000 0.278 886 V C -0.303 175.552 176.094 -0.399 0.000 1.021 886 V CA -0.694 61.394 62.300 -0.353 0.000 0.838 886 V CB -0.070 31.609 31.823 -0.240 0.000 0.999 886 V HN 0.507 nan 8.190 nan 0.000 0.447 887 Y N 1.773 122.038 120.300 -0.058 0.000 2.298 887 Y HA 0.101 4.661 4.550 0.017 0.000 0.329 887 Y C 1.599 177.481 175.900 -0.030 0.000 1.293 887 Y CA -0.030 58.049 58.100 -0.036 0.000 1.388 887 Y CB 0.440 38.884 38.460 -0.027 0.000 1.309 887 Y HN 0.650 nan 8.280 nan 0.000 0.544 888 D N 0.882 121.366 120.400 0.139 0.000 2.203 888 D HA -0.168 4.480 4.640 0.013 0.000 0.199 888 D C 2.039 178.369 176.300 0.051 0.000 0.997 888 D CA 1.814 55.856 54.000 0.069 0.000 0.863 888 D CB -0.189 40.649 40.800 0.063 0.000 0.928 888 D HN 0.818 nan 8.370 nan 0.000 0.458 889 G N -0.829 108.009 108.800 0.063 0.000 2.920 889 G HA2 0.073 4.041 3.960 0.013 0.000 0.208 889 G HA3 0.073 4.041 3.960 0.013 0.000 0.208 889 G C 0.247 175.157 174.900 0.017 0.000 1.159 889 G CA -0.096 45.023 45.100 0.031 0.000 0.784 889 G HN 0.136 nan 8.290 nan 0.000 0.535 890 V N 0.615 120.545 119.914 0.027 0.000 2.465 890 V HA 0.276 4.404 4.120 0.013 0.000 0.279 890 V C -0.042 176.063 176.094 0.020 0.000 1.045 890 V CA -0.925 61.384 62.300 0.016 0.000 0.938 890 V CB 1.762 33.581 31.823 -0.006 0.000 0.986 890 V HN 0.315 nan 8.190 nan 0.000 0.467 891 E N 4.820 125.021 120.200 0.002 0.000 2.174 891 E HA 0.574 4.932 4.350 0.013 0.000 0.282 891 E C -1.422 175.280 176.600 0.171 0.000 0.992 891 E CA -0.487 55.939 56.400 0.044 0.000 0.803 891 E CB 1.022 30.701 29.700 -0.035 0.000 1.090 891 E HN 0.582 nan 8.360 nan 0.000 0.396 892 L N 4.269 125.615 121.223 0.205 0.000 2.362 892 L HA 0.497 4.845 4.340 0.013 0.000 0.271 892 L C -0.526 176.457 176.870 0.188 0.000 1.002 892 L CA -1.107 53.895 54.840 0.270 0.000 0.818 892 L CB 1.749 43.990 42.059 0.304 0.000 1.298 892 L HN 0.610 nan 8.230 nan 0.000 0.420 893 N N -1.266 117.465 118.700 0.051 0.000 2.509 893 N HA 0.279 5.027 4.740 0.013 0.000 0.280 893 N C -0.392 174.708 175.510 -0.683 0.000 1.306 893 N CA -0.959 51.988 53.050 -0.171 0.000 0.782 893 N CB 0.848 39.297 38.487 -0.063 0.000 1.493 893 N HN 0.528 nan 8.380 nan 0.000 0.498 894 D N -1.135 118.845 120.400 -0.701 0.000 2.358 894 D HA -0.040 4.608 4.640 0.013 0.000 0.241 894 D C 0.066 176.111 176.300 -0.425 0.000 1.094 894 D CA 0.600 54.088 54.000 -0.853 0.000 0.907 894 D CB -0.085 40.523 40.800 -0.321 0.000 0.893 894 D HN 0.596 nan 8.370 nan 0.000 0.528 895 K N 0.069 120.261 120.400 -0.348 0.000 2.397 895 K HA 0.131 4.459 4.320 0.013 0.000 0.202 895 K C 0.084 176.507 176.600 -0.296 0.000 1.022 895 K CA -0.333 55.791 56.287 -0.271 0.000 1.141 895 K CB 0.039 32.368 32.500 -0.284 0.000 0.857 895 K HN -0.025 nan 8.250 nan 0.000 0.514 896 N N 1.915 120.477 118.700 -0.231 0.000 2.800 896 N HA -0.182 4.566 4.740 0.013 0.000 0.250 896 N C -0.919 174.584 175.510 -0.011 0.000 1.078 896 N CA 1.004 54.013 53.050 -0.069 0.000 0.804 896 N CB -0.644 37.784 38.487 -0.100 0.000 1.135 896 N HN 0.470 nan 8.380 nan 0.000 0.565 897 Q N 0.108 119.911 119.800 0.006 0.000 2.235 897 Q HA 0.557 4.905 4.340 0.013 0.000 0.250 897 Q C -0.155 176.183 176.000 0.562 0.000 0.909 897 Q CA -0.342 55.604 55.803 0.239 0.000 0.910 897 Q CB 0.811 29.652 28.738 0.171 0.000 1.223 897 Q HN 0.318 nan 8.270 nan 0.000 0.432 898 F N -1.120 119.177 119.950 0.580 0.000 2.578 898 F HA 0.622 5.158 4.527 0.014 0.000 0.311 898 F C -1.100 174.795 175.800 0.158 0.000 1.094 898 F CA -1.263 56.946 58.000 0.347 0.000 0.923 898 F CB 1.420 40.522 39.000 0.171 0.000 1.230 898 F HN 0.243 nan 8.300 nan 0.000 0.450 899 K N 4.515 124.836 120.400 -0.132 0.000 2.244 899 K HA 0.651 4.979 4.320 0.013 0.000 0.260 899 K C -1.748 174.752 176.600 -0.167 0.000 0.951 899 K CA -0.652 55.235 56.287 -0.666 0.000 0.826 899 K CB 1.324 32.865 32.500 -1.598 0.000 1.108 899 K HN 0.934 nan 8.250 nan 0.000 0.433 900 L N 4.459 125.652 121.223 -0.049 0.000 2.287 900 L HA 0.350 4.698 4.340 0.013 0.000 0.287 900 L C 0.551 177.442 176.870 0.036 0.000 1.022 900 L CA -0.676 54.208 54.840 0.073 0.000 0.814 900 L CB 1.562 43.736 42.059 0.192 0.000 1.217 900 L HN 0.838 nan 8.230 nan 0.000 0.420 901 T N -2.014 112.549 114.554 0.014 0.000 2.876 901 T HA 0.213 4.571 4.350 0.013 0.000 0.277 901 T C 1.108 175.821 174.700 0.023 0.000 0.997 901 T CA -0.001 62.116 62.100 0.028 0.000 0.966 901 T CB 1.430 70.284 68.868 -0.023 0.000 1.312 901 T HN 0.518 nan 8.240 nan 0.000 0.598 902 S N -0.550 115.156 115.700 0.010 0.000 2.561 902 S HA 0.140 4.618 4.470 0.013 0.000 0.225 902 S C 0.778 175.370 174.600 -0.013 0.000 0.977 902 S CA -0.476 57.714 58.200 -0.015 0.000 0.926 902 S CB -0.628 62.556 63.200 -0.026 0.000 0.769 902 S HN 0.589 nan 8.310 nan 0.000 0.533 903 S N 1.693 117.389 115.700 -0.008 0.000 2.564 903 S HA 0.554 5.032 4.470 0.013 0.000 0.278 903 S C 1.475 176.068 174.600 -0.012 0.000 1.333 903 S CA -0.029 58.165 58.200 -0.011 0.000 1.048 903 S CB 1.112 64.306 63.200 -0.009 0.000 0.900 903 S HN 0.591 nan 8.310 nan 0.000 0.505 904 A N 3.065 125.871 122.820 -0.023 0.000 2.024 904 A HA -0.161 4.167 4.320 0.013 0.000 0.220 904 A C 1.772 179.326 177.584 -0.051 0.000 1.164 904 A CA 1.670 53.684 52.037 -0.038 0.000 0.643 904 A CB -0.554 18.417 19.000 -0.048 0.000 0.806 904 A HN 0.867 nan 8.150 nan 0.000 0.451 905 N N -0.628 118.053 118.700 -0.031 0.000 2.322 905 N HA 0.038 4.786 4.740 0.013 0.000 0.194 905 N C 0.158 175.694 175.510 0.043 0.000 1.126 905 N CA 0.740 53.780 53.050 -0.017 0.000 0.845 905 N CB -0.412 38.080 38.487 0.010 0.000 0.976 905 N HN 0.112 nan 8.380 nan 0.000 0.475 906 S N 0.347 116.065 115.700 0.031 0.000 3.363 906 S HA 0.227 4.705 4.470 0.013 0.000 0.267 906 S C -0.487 174.161 174.600 0.080 0.000 1.288 906 S CA -0.665 57.566 58.200 0.051 0.000 0.948 906 S CB -0.488 62.730 63.200 0.029 0.000 1.397 906 S HN 0.480 nan 8.310 nan 0.000 0.493 907 K N 3.726 124.202 120.400 0.128 0.000 2.551 907 K HA 0.564 4.892 4.320 0.013 0.000 0.269 907 K C -1.766 174.980 176.600 0.243 0.000 0.949 907 K CA -0.792 55.595 56.287 0.166 0.000 0.849 907 K CB 1.269 33.820 32.500 0.084 0.000 1.411 907 K HN 0.416 nan 8.250 nan 0.000 0.432 908 I N 2.456 123.139 120.570 0.188 0.000 2.498 908 I HA 0.429 4.607 4.170 0.013 0.000 0.290 908 I C -0.645 175.593 176.117 0.202 0.000 1.032 908 I CA -0.890 60.447 61.300 0.063 0.000 1.073 908 I CB 2.131 39.950 38.000 -0.303 0.000 1.251 908 I HN 0.523 nan 8.210 nan 0.000 0.426 909 R N 5.866 126.465 120.500 0.165 0.000 2.360 909 R HA 0.700 5.048 4.340 0.013 0.000 0.318 909 R C -1.892 174.469 176.300 0.101 0.000 0.950 909 R CA -0.447 55.760 56.100 0.178 0.000 0.837 909 R CB 1.691 32.141 30.300 0.250 0.000 1.165 909 R HN 0.473 nan 8.270 nan 0.000 0.458 910 V N 3.881 123.877 119.914 0.137 0.000 2.409 910 V HA 0.315 4.443 4.120 0.013 0.000 0.291 910 V C -0.244 175.912 176.094 0.102 0.000 1.020 910 V CA -0.611 61.763 62.300 0.122 0.000 0.848 910 V CB 1.990 33.941 31.823 0.213 0.000 0.990 910 V HN 0.773 nan 8.190 nan 0.000 0.430 911 T N 5.647 120.245 114.554 0.074 0.000 2.781 911 T HA 0.351 4.709 4.350 0.013 0.000 0.305 911 T C -0.007 174.735 174.700 0.070 0.000 1.001 911 T CA -0.375 61.761 62.100 0.061 0.000 0.950 911 T CB 0.481 69.373 68.868 0.040 0.000 0.955 911 T HN 0.676 nan 8.240 nan 0.000 0.471 912 Q N 2.269 122.120 119.800 0.086 0.000 2.417 912 Q HA 0.196 4.544 4.340 0.013 0.000 0.241 912 Q C 0.470 176.505 176.000 0.058 0.000 1.008 912 Q CA -0.750 55.105 55.803 0.087 0.000 0.901 912 Q CB 0.622 29.433 28.738 0.121 0.000 1.259 912 Q HN 0.430 nan 8.270 nan 0.000 0.489 913 N N 1.480 120.202 118.700 0.037 0.000 2.452 913 N HA -0.064 4.684 4.740 0.013 0.000 0.266 913 N C 0.170 175.690 175.510 0.016 0.000 1.175 913 N CA 0.275 53.338 53.050 0.021 0.000 0.945 913 N CB 0.830 39.322 38.487 0.009 0.000 1.063 913 N HN 0.474 nan 8.380 nan 0.000 0.472 914 Q N 1.924 121.743 119.800 0.032 0.000 2.444 914 Q HA 0.084 4.432 4.340 0.013 0.000 0.206 914 Q C -0.271 175.758 176.000 0.049 0.000 0.948 914 Q CA 0.486 56.318 55.803 0.048 0.000 0.946 914 Q CB 0.166 28.929 28.738 0.041 0.000 1.027 914 Q HN 0.545 nan 8.270 nan 0.000 0.513 915 N N 0.674 119.391 118.700 0.027 0.000 2.380 915 N HA 0.239 4.987 4.740 0.013 0.000 0.255 915 N C -0.240 175.287 175.510 0.028 0.000 1.158 915 N CA 0.112 53.186 53.050 0.039 0.000 0.878 915 N CB 0.964 39.467 38.487 0.026 0.000 1.138 915 N HN 0.215 nan 8.380 nan 0.000 0.509 916 I N 0.584 121.147 120.570 -0.010 0.000 2.474 916 I HA 0.369 4.547 4.170 0.013 0.000 0.294 916 I C 0.520 176.674 176.117 0.061 0.000 1.005 916 I CA -0.890 60.369 61.300 -0.070 0.000 1.113 916 I CB 2.245 40.033 38.000 -0.355 0.000 1.289 916 I HN -0.202 nan 8.210 nan 0.000 0.436 917 I N 5.765 126.399 120.570 0.107 0.000 2.624 917 I HA -0.060 4.118 4.170 0.013 0.000 0.307 917 I C 0.734 176.970 176.117 0.198 0.000 1.191 917 I CA 0.837 62.238 61.300 0.168 0.000 1.708 917 I CB -0.346 37.766 38.000 0.186 0.000 1.521 917 I HN 0.705 nan 8.210 nan 0.000 0.805 918 F N 5.540 125.488 119.950 -0.003 0.000 2.315 918 F HA 0.023 4.560 4.527 0.016 0.000 0.284 918 F C 1.540 177.316 175.800 -0.039 0.000 1.049 918 F CA -0.357 57.622 58.000 -0.036 0.000 1.323 918 F CB 0.434 39.394 39.000 -0.066 0.000 1.113 918 F HN 0.466 nan 8.300 nan 0.000 0.544 919 N N 2.101 120.826 118.700 0.040 0.000 2.819 919 N HA -0.071 4.677 4.740 0.013 0.000 0.284 919 N C 0.490 176.008 175.510 0.014 0.000 1.196 919 N CA 0.646 53.640 53.050 -0.093 0.000 1.114 919 N CB 0.351 38.787 38.487 -0.085 0.000 1.437 919 N HN 0.215 nan 8.380 nan 0.000 0.518 920 S N -0.150 115.562 115.700 0.021 0.000 2.723 920 S HA -0.044 4.434 4.470 0.013 0.000 0.231 920 S C 1.191 175.905 174.600 0.189 0.000 0.967 920 S CA 0.153 58.426 58.200 0.121 0.000 0.958 920 S CB -0.572 62.711 63.200 0.138 0.000 0.778 920 S HN 0.401 nan 8.310 nan 0.000 0.537 921 V N -0.945 119.022 119.914 0.089 0.000 0.378 921 V HA -0.342 3.786 4.120 0.013 0.000 0.091 921 V C 1.101 177.298 176.094 0.172 0.000 2.785 921 V CA 2.161 64.532 62.300 0.119 0.000 3.834 921 V CB -2.312 29.599 31.823 0.148 0.000 1.090 921 V HN 0.845 nan 8.190 nan 0.000 1.145 922 F N -0.038 119.937 119.950 0.041 0.000 2.678 922 F HA 0.783 5.319 4.527 0.014 0.000 0.305 922 F C 0.217 176.061 175.800 0.073 0.000 1.090 922 F CA -0.353 57.677 58.000 0.049 0.000 1.272 922 F CB 0.706 39.734 39.000 0.047 0.000 1.060 922 F HN 0.451 nan 8.300 nan 0.000 0.576 923 L N 2.359 123.313 121.223 -0.447 0.000 2.443 923 L HA -0.097 4.251 4.340 0.013 0.000 0.645 923 L C -1.669 174.919 176.870 -0.471 0.000 1.007 923 L CA 0.213 54.870 54.840 -0.306 0.000 1.350 923 L CB -1.292 40.745 42.059 -0.036 0.000 2.011 923 L HN 0.644 nan 8.230 nan 0.000 0.954 924 D N 5.611 125.817 120.400 -0.323 0.000 2.386 924 D HA 0.708 5.356 4.640 0.013 0.000 0.247 924 D C -0.759 175.700 176.300 0.264 0.000 1.336 924 D CA 0.394 54.289 54.000 -0.175 0.000 0.976 924 D CB 0.508 41.063 40.800 -0.408 0.000 1.257 924 D HN 0.546 nan 8.370 nan 0.000 0.570 925 F N 0.147 120.098 119.950 0.002 0.000 2.770 925 F HA 0.720 5.255 4.527 0.013 0.000 0.313 925 F C -1.749 174.038 175.800 -0.021 0.000 1.154 925 F CA -0.821 57.238 58.000 0.098 0.000 0.923 925 F CB 0.963 40.189 39.000 0.376 0.000 1.301 925 F HN 0.046 nan 8.300 nan 0.000 0.449 926 S N 0.994 116.597 115.700 -0.161 0.000 2.570 926 S HA 0.860 5.338 4.470 0.013 0.000 0.286 926 S C -1.496 172.984 174.600 -0.201 0.000 1.099 926 S CA -0.823 57.145 58.200 -0.385 0.000 0.913 926 S CB 2.192 65.183 63.200 -0.349 0.000 1.085 926 S HN 0.662 nan 8.310 nan 0.000 0.480 927 V N 2.292 121.979 119.914 -0.379 0.000 2.638 927 V HA 0.805 4.933 4.120 0.013 0.000 0.306 927 V C -0.529 175.425 176.094 -0.232 0.000 1.052 927 V CA -0.600 61.552 62.300 -0.248 0.000 0.885 927 V CB 1.826 33.473 31.823 -0.293 0.000 0.999 927 V HN 0.996 nan 8.190 nan 0.000 0.424 928 S N 4.560 120.198 115.700 -0.104 0.000 2.541 928 S HA 0.989 5.468 4.470 0.013 0.000 0.280 928 S C -1.047 173.651 174.600 0.163 0.000 1.112 928 S CA -0.621 57.480 58.200 -0.164 0.000 0.925 928 S CB 2.297 65.485 63.200 -0.021 0.000 1.067 928 S HN 1.358 nan 8.310 nan 0.000 0.479 929 F N -2.042 117.934 119.950 0.042 0.000 2.799 929 F HA 0.778 5.312 4.527 0.012 0.000 0.316 929 F C -2.421 173.598 175.800 0.365 0.000 1.155 929 F CA -1.656 56.579 58.000 0.391 0.000 0.916 929 F CB 0.152 39.451 39.000 0.498 0.000 1.294 929 F HN 0.631 nan 8.300 nan 0.000 0.447 930 W N 2.848 124.562 121.300 0.690 0.000 2.570 930 W HA 0.818 5.486 4.660 0.013 0.000 0.337 930 W C -0.720 176.234 176.519 0.726 0.000 1.067 930 W CA -0.844 56.866 57.345 0.608 0.000 1.229 930 W CB 1.794 31.537 29.460 0.473 0.000 1.355 930 W HN 0.724 nan 8.180 nan 0.000 0.555 931 I N 1.851 122.813 120.570 0.653 0.000 2.894 931 I HA 0.525 4.703 4.170 0.013 0.000 0.302 931 I C -1.192 174.815 176.117 -0.184 0.000 1.188 931 I CA -1.405 60.065 61.300 0.284 0.000 1.014 931 I CB 2.082 40.206 38.000 0.206 0.000 1.242 931 I HN 0.457 nan 8.210 nan 0.000 0.430 932 R N 7.118 127.374 120.500 -0.406 0.000 2.500 932 R HA 0.592 4.940 4.340 0.013 0.000 0.299 932 R C -1.885 174.346 176.300 -0.115 0.000 1.038 932 R CA -0.448 55.372 56.100 -0.467 0.000 0.903 932 R CB 1.145 30.754 30.300 -1.151 0.000 1.177 932 R HN 0.552 nan 8.270 nan 0.000 0.455 933 I N 6.766 127.349 120.570 0.022 0.000 2.321 933 I HA 0.381 4.559 4.170 0.013 0.000 0.291 933 I C -1.808 174.344 176.117 0.058 0.000 0.998 933 I CA -2.428 58.932 61.300 0.100 0.000 1.227 933 I CB 1.676 39.849 38.000 0.288 0.000 1.368 933 I HN 0.405 nan 8.210 nan 0.000 0.466 934 P HA -0.004 nan 4.420 nan 0.000 0.270 934 P C -0.660 176.583 177.300 -0.096 0.000 1.223 934 P CA -0.364 62.620 63.100 -0.192 0.000 0.785 934 P CB 0.888 32.243 31.700 -0.575 0.000 0.923 935 K N 2.084 122.352 120.400 -0.220 0.000 2.319 935 K HA 0.037 4.365 4.320 0.013 0.000 0.265 935 K C 0.025 176.260 176.600 -0.608 0.000 1.000 935 K CA -0.351 55.619 56.287 -0.528 0.000 0.943 935 K CB -0.013 31.887 32.500 -1.000 0.000 0.950 935 K HN 0.377 nan 8.250 nan 0.000 0.485 936 Y N 0.884 120.862 120.300 -0.536 0.000 2.457 936 Y HA 0.181 4.740 4.550 0.014 0.000 0.341 936 Y C -0.057 175.570 175.900 -0.455 0.000 1.240 936 Y CA -0.819 56.834 58.100 -0.745 0.000 1.437 936 Y CB 0.236 37.820 38.460 -1.460 0.000 1.328 936 Y HN 0.185 nan 8.280 nan 0.000 0.588 937 K N 2.775 123.102 120.400 -0.123 0.000 2.276 937 K HA 0.100 4.428 4.320 0.013 0.000 0.283 937 K C 0.386 177.007 176.600 0.034 0.000 1.044 937 K CA -0.261 55.980 56.287 -0.077 0.000 0.944 937 K CB 0.859 33.339 32.500 -0.033 0.000 1.012 937 K HN 0.779 nan 8.250 nan 0.000 0.472 938 N N 1.946 120.686 118.700 0.067 0.000 2.094 938 N HA -0.203 4.545 4.740 0.013 0.000 0.191 938 N C 0.583 176.158 175.510 0.107 0.000 1.023 938 N CA 1.571 54.712 53.050 0.151 0.000 0.857 938 N CB -0.046 38.591 38.487 0.250 0.000 1.013 938 N HN 0.616 nan 8.380 nan 0.000 0.426 939 D N -1.626 118.820 120.400 0.077 0.000 2.325 939 D HA 0.146 4.794 4.640 0.013 0.000 0.234 939 D C 0.906 177.229 176.300 0.038 0.000 1.122 939 D CA -0.008 54.029 54.000 0.061 0.000 0.850 939 D CB -0.463 40.368 40.800 0.052 0.000 0.921 939 D HN 0.186 nan 8.370 nan 0.000 0.513 940 G N -0.153 108.665 108.800 0.030 0.000 4.110 940 G HA2 0.101 4.069 3.960 0.013 0.000 0.292 940 G HA3 0.101 4.069 3.960 0.013 0.000 0.292 940 G C 0.768 175.684 174.900 0.027 0.000 1.020 940 G CA -0.357 44.760 45.100 0.028 0.000 0.808 940 G HN 0.191 nan 8.290 nan 0.000 0.474 941 I N 0.205 120.764 120.570 -0.018 0.000 2.394 941 I HA -0.090 4.088 4.170 0.013 0.000 0.251 941 I C 2.442 178.508 176.117 -0.085 0.000 1.136 941 I CA 1.353 62.598 61.300 -0.091 0.000 1.425 941 I CB 0.234 38.126 38.000 -0.180 0.000 1.079 941 I HN 0.068 nan 8.210 nan 0.000 0.425 942 Q N 0.479 120.236 119.800 -0.073 0.000 2.050 942 Q HA -0.165 4.184 4.340 0.013 0.000 0.202 942 Q C 2.060 178.043 176.000 -0.028 0.000 0.980 942 Q CA 1.599 57.341 55.803 -0.102 0.000 0.840 942 Q CB -0.748 27.953 28.738 -0.062 0.000 0.898 942 Q HN 0.560 nan 8.270 nan 0.000 0.424 943 N N -0.078 118.639 118.700 0.027 0.000 2.244 943 N HA -0.148 4.600 4.740 0.013 0.000 0.183 943 N C 1.687 177.256 175.510 0.099 0.000 1.016 943 N CA 0.766 53.858 53.050 0.070 0.000 0.866 943 N CB -0.398 38.121 38.487 0.053 0.000 0.980 943 N HN 0.328 nan 8.380 nan 0.000 0.430 944 Y N 2.490 122.772 120.300 -0.030 0.000 2.145 944 Y HA -0.116 4.442 4.550 0.013 0.000 0.286 944 Y C 2.222 178.094 175.900 -0.047 0.000 1.145 944 Y CA 1.512 59.604 58.100 -0.012 0.000 1.148 944 Y CB -0.276 38.183 38.460 -0.002 0.000 0.981 944 Y HN 0.056 nan 8.280 nan 0.000 0.507 945 I N -2.356 118.215 120.570 0.002 0.000 2.928 945 I HA -0.054 4.124 4.170 0.013 0.000 0.266 945 I C 1.974 178.014 176.117 -0.128 0.000 1.234 945 I CA 1.730 62.932 61.300 -0.164 0.000 1.483 945 I CB -0.580 37.263 38.000 -0.262 0.000 1.097 945 I HN 0.202 nan 8.210 nan 0.000 0.455 946 H N 1.424 120.404 119.070 -0.150 0.000 2.476 946 H HA 0.264 4.828 4.556 0.014 0.000 0.292 946 H C 0.388 175.664 175.328 -0.087 0.000 1.019 946 H CA 0.245 56.224 56.048 -0.116 0.000 1.330 946 H CB 0.388 30.097 29.762 -0.088 0.000 1.451 946 H HN 0.193 nan 8.280 nan 0.000 0.535 947 N N 2.394 121.051 118.700 -0.071 0.000 2.415 947 N HA 0.011 4.759 4.740 0.013 0.000 0.246 947 N C -0.598 174.902 175.510 -0.018 0.000 1.078 947 N CA -0.008 53.001 53.050 -0.069 0.000 0.942 947 N CB 1.047 39.550 38.487 0.027 0.000 1.140 947 N HN 0.572 nan 8.380 nan 0.000 0.501 948 E N 2.859 123.005 120.200 -0.090 0.000 2.283 948 E HA 0.189 4.547 4.350 0.013 0.000 0.278 948 E C -1.151 175.476 176.600 0.045 0.000 1.027 948 E CA -0.602 55.744 56.400 -0.091 0.000 0.843 948 E CB 0.538 30.140 29.700 -0.164 0.000 1.062 948 E HN 0.512 nan 8.360 nan 0.000 0.401 949 Y N -0.032 120.217 120.300 -0.084 0.000 2.492 949 Y HA 0.438 4.996 4.550 0.013 0.000 0.346 949 Y C -0.629 175.251 175.900 -0.033 0.000 0.997 949 Y CA -1.242 56.825 58.100 -0.055 0.000 1.025 949 Y CB 1.111 39.545 38.460 -0.044 0.000 1.263 949 Y HN 0.199 nan 8.280 nan 0.000 0.454 950 T N 4.246 118.829 114.554 0.047 0.000 2.913 950 T HA 0.299 4.657 4.350 0.013 0.000 0.297 950 T C 1.152 175.886 174.700 0.056 0.000 1.029 950 T CA 0.042 62.137 62.100 -0.010 0.000 1.104 950 T CB 0.739 69.597 68.868 -0.018 0.000 0.964 950 T HN 0.826 nan 8.240 nan 0.000 0.532 951 I N -1.119 119.459 120.570 0.015 0.000 4.338 951 I HA 0.503 4.681 4.170 0.013 0.000 0.315 951 I C -0.164 175.936 176.117 -0.027 0.000 1.262 951 I CA -0.012 61.327 61.300 0.064 0.000 1.298 951 I CB 0.600 38.654 38.000 0.090 0.000 1.257 951 I HN 0.346 nan 8.210 nan 0.000 0.444 952 I N 2.372 122.883 120.570 -0.099 0.000 2.512 952 I HA 0.358 4.536 4.170 0.013 0.000 0.287 952 I C -1.284 174.709 176.117 -0.208 0.000 1.069 952 I CA -0.327 60.802 61.300 -0.285 0.000 1.056 952 I CB 1.980 39.773 38.000 -0.345 0.000 1.229 952 I HN 0.179 nan 8.210 nan 0.000 0.429 953 N N 5.402 123.917 118.700 -0.310 0.000 2.346 953 N HA 0.467 5.215 4.740 0.013 0.000 0.289 953 N C -1.724 173.472 175.510 -0.522 0.000 1.027 953 N CA -0.352 52.492 53.050 -0.342 0.000 0.864 953 N CB 2.409 40.764 38.487 -0.220 0.000 1.370 953 N HN 0.624 nan 8.380 nan 0.000 0.481 954 C N 6.889 125.705 119.300 -0.807 0.000 2.653 954 C HA 0.556 5.024 4.460 0.013 0.000 0.291 954 C C -1.059 173.526 174.990 -0.675 0.000 1.064 954 C CA -0.496 57.979 59.018 -0.905 0.000 1.469 954 C CB -0.722 25.974 27.740 -1.740 0.000 1.861 954 C HN 0.646 nan 8.230 nan 0.000 0.434 955 M N 3.939 123.309 119.600 -0.384 0.000 2.602 955 M HA 0.569 5.057 4.480 0.013 0.000 0.312 955 M C -0.807 175.386 176.300 -0.179 0.000 1.181 955 M CA -0.353 54.788 55.300 -0.265 0.000 0.910 955 M CB 2.139 34.617 32.600 -0.204 0.000 1.723 955 M HN 0.640 nan 8.290 nan 0.000 0.459 956 K N 2.124 122.440 120.400 -0.140 0.000 2.619 956 K HA 0.310 4.638 4.320 0.013 0.000 0.251 956 K C -0.798 175.756 176.600 -0.077 0.000 0.987 956 K CA -0.203 56.027 56.287 -0.095 0.000 0.844 956 K CB 0.778 33.230 32.500 -0.080 0.000 1.237 956 K HN 0.743 nan 8.250 nan 0.000 0.447 957 N N 4.068 122.730 118.700 -0.063 0.000 2.740 957 N HA -0.207 4.541 4.740 0.013 0.000 0.248 957 N C -0.953 174.523 175.510 -0.056 0.000 1.062 957 N CA 1.265 54.284 53.050 -0.052 0.000 0.704 957 N CB -1.115 37.346 38.487 -0.043 0.000 0.968 957 N HN 0.988 nan 8.380 nan 0.000 0.547 958 N N -2.297 116.362 118.700 -0.067 0.000 2.741 958 N HA -0.195 4.553 4.740 0.013 0.000 0.251 958 N C -0.430 175.037 175.510 -0.073 0.000 1.112 958 N CA 1.511 54.520 53.050 -0.069 0.000 0.750 958 N CB -1.066 37.390 38.487 -0.052 0.000 1.119 958 N HN 0.599 nan 8.380 nan 0.000 0.561 959 S N -1.187 114.463 115.700 -0.083 0.000 2.542 959 S HA 0.850 5.328 4.470 0.013 0.000 0.293 959 S C 0.301 174.830 174.600 -0.118 0.000 1.089 959 S CA 0.463 58.614 58.200 -0.082 0.000 0.961 959 S CB 2.263 65.424 63.200 -0.066 0.000 1.062 959 S HN 0.779 nan 8.310 nan 0.000 0.483 960 G N 2.621 111.356 108.800 -0.109 0.000 2.356 960 G HA2 0.247 4.215 3.960 0.013 0.000 0.266 960 G HA3 0.247 4.215 3.960 0.013 0.000 0.266 960 G C -1.772 173.076 174.900 -0.088 0.000 1.312 960 G CA -0.143 44.860 45.100 -0.162 0.000 0.922 960 G HN 1.044 nan 8.290 nan 0.000 0.480 961 W N 0.200 121.396 121.300 -0.173 0.000 3.032 961 W HA 0.844 5.511 4.660 0.012 0.000 0.341 961 W C -0.832 175.508 176.519 -0.298 0.000 1.202 961 W CA -0.888 56.245 57.345 -0.354 0.000 1.132 961 W CB 1.501 30.682 29.460 -0.465 0.000 1.465 961 W HN 1.078 nan 8.180 nan 0.000 0.576 962 K N 0.301 120.664 120.400 -0.063 0.000 2.587 962 K HA 0.715 5.043 4.320 0.013 0.000 0.276 962 K C -2.017 174.659 176.600 0.126 0.000 0.956 962 K CA -0.895 55.401 56.287 0.014 0.000 0.857 962 K CB 2.221 34.652 32.500 -0.116 0.000 1.431 962 K HN 0.533 nan 8.250 nan 0.000 0.420 963 I N 2.364 123.073 120.570 0.232 0.000 2.378 963 I HA 0.351 4.529 4.170 0.013 0.000 0.291 963 I C -0.415 175.762 176.117 0.099 0.000 0.992 963 I CA -0.500 60.969 61.300 0.283 0.000 1.154 963 I CB 2.010 40.236 38.000 0.376 0.000 1.315 963 I HN 0.930 nan 8.210 nan 0.000 0.448 964 S N 6.546 122.278 115.700 0.054 0.000 2.697 964 S HA 0.809 5.287 4.470 0.013 0.000 0.289 964 S C -0.854 173.639 174.600 -0.179 0.000 1.149 964 S CA -0.804 57.337 58.200 -0.099 0.000 0.850 964 S CB 2.341 65.474 63.200 -0.113 0.000 1.151 964 S HN 0.452 nan 8.310 nan 0.000 0.491 965 I N 0.449 120.733 120.570 -0.478 0.000 2.619 965 I HA 0.533 4.711 4.170 0.013 0.000 0.292 965 I C -0.549 175.215 176.117 -0.587 0.000 1.100 965 I CA -0.532 60.448 61.300 -0.533 0.000 1.043 965 I CB 2.462 40.068 38.000 -0.656 0.000 1.239 965 I HN 0.712 nan 8.210 nan 0.000 0.420 966 R N 4.248 124.520 120.500 -0.380 0.000 2.472 966 R HA 0.526 4.874 4.340 0.013 0.000 0.294 966 R C 0.437 176.474 176.300 -0.439 0.000 1.243 966 R CA 0.407 56.304 56.100 -0.338 0.000 1.023 966 R CB 1.096 31.212 30.300 -0.307 0.000 1.157 966 R HN 0.952 nan 8.270 nan 0.000 0.530 967 G N 3.847 112.292 108.800 -0.592 0.000 2.602 967 G HA2 -0.458 3.510 3.960 0.013 0.000 0.310 967 G HA3 -0.458 3.510 3.960 0.013 0.000 0.310 967 G C 0.316 174.733 174.900 -0.805 0.000 1.183 967 G CA 0.560 44.844 45.100 -1.360 0.000 0.979 967 G HN 0.732 nan 8.290 nan 0.000 0.545 968 N N 1.349 119.714 118.700 -0.558 0.000 2.313 968 N HA 0.086 4.834 4.740 0.013 0.000 0.207 968 N C 0.710 175.703 175.510 -0.862 0.000 1.141 968 N CA 0.670 53.326 53.050 -0.657 0.000 0.830 968 N CB 0.411 38.604 38.487 -0.490 0.000 1.008 968 N HN 0.846 nan 8.380 nan 0.000 0.481 969 R N 0.577 120.789 120.500 -0.479 0.000 2.534 969 R HA 0.488 4.836 4.340 0.013 0.000 0.301 969 R C -1.297 174.935 176.300 -0.112 0.000 0.961 969 R CA -0.693 55.212 56.100 -0.325 0.000 0.871 969 R CB 1.329 31.401 30.300 -0.380 0.000 1.170 969 R HN 0.159 nan 8.270 nan 0.000 0.446 970 I N 5.764 126.394 120.570 0.099 0.000 2.377 970 I HA 0.406 4.584 4.170 0.013 0.000 0.293 970 I C -1.176 175.094 176.117 0.254 0.000 0.987 970 I CA -0.849 60.575 61.300 0.208 0.000 1.185 970 I CB 1.089 39.326 38.000 0.395 0.000 1.341 970 I HN 0.633 nan 8.210 nan 0.000 0.455 971 I N 7.585 128.276 120.570 0.203 0.000 2.509 971 I HA 0.310 4.488 4.170 0.013 0.000 0.293 971 I C -1.077 175.238 176.117 0.330 0.000 1.020 971 I CA -0.438 61.016 61.300 0.256 0.000 1.088 971 I CB 1.708 39.779 38.000 0.118 0.000 1.267 971 I HN 0.602 nan 8.210 nan 0.000 0.430 972 W N 6.437 127.830 121.300 0.155 0.000 2.417 972 W HA 0.551 5.219 4.660 0.013 0.000 0.315 972 W C -1.479 175.122 176.519 0.136 0.000 1.045 972 W CA -0.400 57.033 57.345 0.148 0.000 1.221 972 W CB 1.879 31.400 29.460 0.101 0.000 1.309 972 W HN 0.418 nan 8.180 nan 0.000 0.453 973 T N 6.913 121.235 114.554 -0.386 0.000 2.841 973 T HA 0.558 4.916 4.350 0.013 0.000 0.283 973 T C -0.346 174.073 174.700 -0.469 0.000 1.000 973 T CA -0.520 61.388 62.100 -0.320 0.000 0.977 973 T CB 1.850 70.632 68.868 -0.144 0.000 0.979 973 T HN 0.308 nan 8.240 nan 0.000 0.446 974 L N 3.173 124.241 121.223 -0.258 0.000 2.342 974 L HA 0.696 5.044 4.340 0.013 0.000 0.271 974 L C -0.746 176.087 176.870 -0.062 0.000 1.008 974 L CA -1.035 53.727 54.840 -0.129 0.000 0.818 974 L CB 1.831 43.889 42.059 -0.003 0.000 1.296 974 L HN 0.539 nan 8.230 nan 0.000 0.427 975 I N 1.738 122.283 120.570 -0.042 0.000 2.540 975 I HA 0.147 4.325 4.170 0.013 0.000 0.280 975 I C -0.839 175.262 176.117 -0.026 0.000 1.083 975 I CA -0.736 60.541 61.300 -0.039 0.000 1.080 975 I CB 1.711 39.673 38.000 -0.063 0.000 1.205 975 I HN 0.611 nan 8.210 nan 0.000 0.459 976 D N 5.683 126.077 120.400 -0.010 0.000 2.384 976 D HA 0.044 4.692 4.640 0.013 0.000 0.244 976 D C 1.523 177.811 176.300 -0.019 0.000 1.251 976 D CA -0.440 53.555 54.000 -0.008 0.000 0.961 976 D CB 0.864 41.668 40.800 0.006 0.000 1.116 976 D HN 0.612 nan 8.370 nan 0.000 0.484 977 I N -2.793 117.766 120.570 -0.019 0.000 2.502 977 I HA -0.267 3.911 4.170 0.013 0.000 0.258 977 I C 0.894 177.000 176.117 -0.018 0.000 1.172 977 I CA 1.187 62.474 61.300 -0.022 0.000 1.430 977 I CB -0.536 37.453 38.000 -0.019 0.000 1.086 977 I HN 0.170 nan 8.210 nan 0.000 0.440 978 N N 1.289 119.982 118.700 -0.011 0.000 2.395 978 N HA 0.077 4.825 4.740 0.013 0.000 0.175 978 N C 1.634 177.136 175.510 -0.013 0.000 1.029 978 N CA 1.345 54.390 53.050 -0.009 0.000 0.897 978 N CB 0.668 39.154 38.487 -0.002 0.000 0.991 978 N HN 0.667 nan 8.380 nan 0.000 0.441 979 G N 0.952 109.742 108.800 -0.016 0.000 2.192 979 G HA2 -0.235 3.733 3.960 0.013 0.000 0.193 979 G HA3 -0.235 3.733 3.960 0.013 0.000 0.193 979 G C 0.104 174.994 174.900 -0.017 0.000 0.999 979 G CA -0.221 44.867 45.100 -0.021 0.000 0.659 979 G HN 0.339 nan 8.290 nan 0.000 0.503 980 K N 1.134 121.528 120.400 -0.009 0.000 2.414 980 K HA 0.469 4.797 4.320 0.013 0.000 0.272 980 K C -0.328 176.269 176.600 -0.006 0.000 0.993 980 K CA 0.796 57.081 56.287 -0.003 0.000 0.964 980 K CB 0.244 32.747 32.500 0.005 0.000 0.925 980 K HN 0.111 nan 8.250 nan 0.000 0.487 981 T N 4.009 118.560 114.554 -0.004 0.000 2.893 981 T HA 0.460 4.818 4.350 0.013 0.000 0.291 981 T C -1.212 173.492 174.700 0.006 0.000 1.028 981 T CA -0.988 61.107 62.100 -0.008 0.000 0.995 981 T CB 1.459 70.316 68.868 -0.018 0.000 1.051 981 T HN 0.405 nan 8.240 nan 0.000 0.470 982 K N 1.436 121.841 120.400 0.009 0.000 2.523 982 K HA 0.720 5.048 4.320 0.013 0.000 0.257 982 K C -1.183 175.440 176.600 0.038 0.000 0.932 982 K CA -0.727 55.579 56.287 0.032 0.000 0.812 982 K CB 2.585 35.114 32.500 0.048 0.000 1.326 982 K HN 0.597 nan 8.250 nan 0.000 0.433 983 S N 0.246 115.990 115.700 0.074 0.000 2.595 983 S HA 0.657 5.135 4.470 0.013 0.000 0.281 983 S C -1.420 173.275 174.600 0.158 0.000 1.117 983 S CA -0.758 57.513 58.200 0.119 0.000 0.873 983 S CB 2.590 65.866 63.200 0.126 0.000 1.108 983 S HN 0.342 nan 8.310 nan 0.000 0.477 984 V N 3.185 123.230 119.914 0.217 0.000 2.888 984 V HA 0.916 5.044 4.120 0.013 0.000 0.309 984 V C -2.055 174.158 176.094 0.198 0.000 1.114 984 V CA -0.743 61.618 62.300 0.101 0.000 0.940 984 V CB 1.590 33.462 31.823 0.081 0.000 1.021 984 V HN 0.873 nan 8.190 nan 0.000 0.426 985 F N 4.469 124.473 119.950 0.091 0.000 2.685 985 F HA 0.853 5.388 4.527 0.013 0.000 0.315 985 F C -1.914 173.961 175.800 0.125 0.000 1.126 985 F CA -1.626 56.434 58.000 0.101 0.000 0.950 985 F CB 1.646 40.668 39.000 0.037 0.000 1.360 985 F HN 0.520 nan 8.300 nan 0.000 0.469 986 F N 1.709 121.813 119.950 0.256 0.000 2.518 986 F HA 0.590 5.125 4.527 0.014 0.000 0.323 986 F C -1.158 174.738 175.800 0.161 0.000 1.129 986 F CA -0.661 57.401 58.000 0.103 0.000 0.920 986 F CB 1.754 40.745 39.000 -0.015 0.000 1.160 986 F HN 0.798 nan 8.300 nan 0.000 0.440 987 E N 6.377 126.224 120.200 -0.588 0.000 2.191 987 E HA 0.313 4.671 4.350 0.013 0.000 0.263 987 E C -1.709 174.358 176.600 -0.889 0.000 0.881 987 E CA -0.830 55.187 56.400 -0.638 0.000 0.757 987 E CB 1.228 30.772 29.700 -0.260 0.000 1.147 987 E HN 0.613 nan 8.360 nan 0.000 0.414 988 Y N 1.919 121.815 120.300 -0.673 0.000 2.352 988 Y HA 0.432 4.990 4.550 0.013 0.000 0.326 988 Y C 0.052 175.902 175.900 -0.084 0.000 1.166 988 Y CA -1.402 56.439 58.100 -0.431 0.000 1.182 988 Y CB 0.337 38.613 38.460 -0.307 0.000 1.216 988 Y HN 0.392 nan 8.280 nan 0.000 0.474 989 N N 2.286 121.097 118.700 0.184 0.000 2.492 989 N HA 0.143 4.891 4.740 0.013 0.000 0.262 989 N C 0.145 175.835 175.510 0.299 0.000 1.202 989 N CA -0.095 53.063 53.050 0.179 0.000 0.926 989 N CB 0.355 38.943 38.487 0.169 0.000 1.078 989 N HN 0.802 nan 8.380 nan 0.000 0.454 990 I N -0.321 120.387 120.570 0.230 0.000 3.816 990 I HA 0.375 4.553 4.170 0.013 0.000 0.334 990 I C 0.292 176.535 176.117 0.210 0.000 1.551 990 I CA -0.292 61.183 61.300 0.292 0.000 1.153 990 I CB 0.254 38.378 38.000 0.207 0.000 1.197 990 I HN 0.386 nan 8.210 nan 0.000 0.439 991 R N 0.800 121.413 120.500 0.188 0.000 2.572 991 R HA 0.287 4.635 4.340 0.013 0.000 0.370 991 R C -0.294 176.113 176.300 0.178 0.000 1.005 991 R CA -0.295 55.893 56.100 0.148 0.000 1.146 991 R CB 0.682 31.035 30.300 0.088 0.000 1.390 991 R HN 0.303 nan 8.270 nan 0.000 0.553 992 E N 1.212 121.549 120.200 0.230 0.000 2.354 992 E HA -0.001 4.357 4.350 0.013 0.000 0.269 992 E C 0.174 176.928 176.600 0.255 0.000 1.036 992 E CA 0.011 56.543 56.400 0.220 0.000 0.876 992 E CB 1.026 30.864 29.700 0.230 0.000 1.009 992 E HN 0.003 nan 8.360 nan 0.000 0.416 993 D N 0.944 121.470 120.400 0.211 0.000 2.123 993 D HA -0.077 4.571 4.640 0.013 0.000 0.196 993 D C 0.425 176.887 176.300 0.270 0.000 0.992 993 D CA 1.308 55.443 54.000 0.225 0.000 0.833 993 D CB 0.340 41.243 40.800 0.172 0.000 0.954 993 D HN 0.277 nan 8.370 nan 0.000 0.455 994 I N 0.184 120.899 120.570 0.242 0.000 2.500 994 I HA 0.119 4.297 4.170 0.013 0.000 0.286 994 I C -0.262 175.972 176.117 0.195 0.000 1.063 994 I CA -0.501 60.934 61.300 0.226 0.000 1.062 994 I CB 1.725 39.884 38.000 0.264 0.000 1.223 994 I HN -0.251 nan 8.210 nan 0.000 0.435 995 S N 4.326 120.151 115.700 0.207 0.000 2.541 995 S HA 0.364 4.842 4.470 0.013 0.000 0.283 995 S C 0.831 175.424 174.600 -0.012 0.000 1.196 995 S CA -0.286 58.014 58.200 0.166 0.000 1.062 995 S CB 1.311 64.689 63.200 0.297 0.000 1.009 995 S HN 0.612 nan 8.310 nan 0.000 0.502 996 E N 2.207 122.286 120.200 -0.202 0.000 2.478 996 E HA 0.037 4.395 4.350 0.013 0.000 0.194 996 E C 0.083 176.308 176.600 -0.625 0.000 1.045 996 E CA 0.567 56.658 56.400 -0.514 0.000 0.868 996 E CB 0.203 29.431 29.700 -0.786 0.000 0.885 996 E HN 0.836 nan 8.360 nan 0.000 0.505 997 Y N -0.289 119.976 120.300 -0.057 0.000 2.664 997 Y HA 0.239 4.797 4.550 0.013 0.000 0.278 997 Y C 0.939 176.808 175.900 -0.051 0.000 1.130 997 Y CA -0.589 57.410 58.100 -0.168 0.000 1.260 997 Y CB 0.549 38.616 38.460 -0.655 0.000 1.369 997 Y HN -0.163 nan 8.280 nan 0.000 0.499 998 I N 3.099 123.737 120.570 0.113 0.000 2.769 998 I HA -0.201 3.977 4.170 0.013 0.000 0.285 998 I C 0.958 177.317 176.117 0.403 0.000 1.173 998 I CA 1.021 62.474 61.300 0.255 0.000 1.389 998 I CB -0.255 38.002 38.000 0.429 0.000 1.404 998 I HN 0.568 nan 8.210 nan 0.000 0.544 999 N N 4.213 123.084 118.700 0.284 0.000 2.828 999 N HA -0.205 4.543 4.740 0.013 0.000 0.248 999 N C -0.267 175.413 175.510 0.283 0.000 1.044 999 N CA 0.612 53.771 53.050 0.182 0.000 0.851 999 N CB -0.145 38.386 38.487 0.074 0.000 1.136 999 N HN 0.619 nan 8.380 nan 0.000 0.572 1000 R N -0.249 120.478 120.500 0.377 0.000 2.562 1000 R HA 0.244 4.592 4.340 0.013 0.000 0.298 1000 R C -0.790 175.796 176.300 0.476 0.000 0.961 1000 R CA -0.608 55.755 56.100 0.439 0.000 0.881 1000 R CB 0.679 31.199 30.300 0.367 0.000 1.159 1000 R HN 0.098 nan 8.270 nan 0.000 0.450 1001 W N 4.018 125.585 121.300 0.445 0.000 2.347 1001 W HA 0.033 4.702 4.660 0.015 0.000 0.333 1001 W C 0.102 177.070 176.519 0.748 0.000 1.383 1001 W CA 0.402 58.040 57.345 0.488 0.000 1.283 1001 W CB 0.164 29.866 29.460 0.403 0.000 1.253 1001 W HN 0.458 nan 8.180 nan 0.000 0.563 1002 F N 2.601 123.054 119.950 0.839 0.000 2.626 1002 F HA 0.631 5.166 4.527 0.014 0.000 0.311 1002 F C -1.700 174.248 175.800 0.246 0.000 1.088 1002 F CA -2.557 55.775 58.000 0.554 0.000 0.949 1002 F CB 0.811 40.072 39.000 0.435 0.000 1.322 1002 F HN 0.099 nan 8.300 nan 0.000 0.461 1003 F N 2.979 122.787 119.950 -0.238 0.000 2.405 1003 F HA 0.732 5.266 4.527 0.013 0.000 0.355 1003 F C -1.115 174.387 175.800 -0.497 0.000 1.121 1003 F CA -1.331 56.136 58.000 -0.890 0.000 1.112 1003 F CB 1.207 39.388 39.000 -1.365 0.000 1.126 1003 F HN 0.426 nan 8.300 nan 0.000 0.481 1004 V N 4.705 123.965 119.914 -1.089 0.000 2.581 1004 V HA 0.648 4.776 4.120 0.013 0.000 0.303 1004 V C -0.492 174.768 176.094 -1.389 0.000 1.041 1004 V CA -0.568 61.081 62.300 -1.086 0.000 0.907 1004 V CB 2.035 33.187 31.823 -1.119 0.000 0.994 1004 V HN 0.834 nan 8.190 nan 0.000 0.442 1005 T N 5.148 119.130 114.554 -0.954 0.000 3.071 1005 T HA 0.614 4.972 4.350 0.013 0.000 0.311 1005 T C -0.753 173.642 174.700 -0.508 0.000 1.042 1005 T CA -0.201 61.435 62.100 -0.773 0.000 1.028 1005 T CB 1.150 69.555 68.868 -0.772 0.000 1.068 1005 T HN 0.398 nan 8.240 nan 0.000 0.451 1006 I N 3.434 123.664 120.570 -0.566 0.000 2.389 1006 I HA 0.501 4.679 4.170 0.013 0.000 0.288 1006 I C 0.404 176.093 176.117 -0.713 0.000 0.999 1006 I CA -0.727 60.166 61.300 -0.680 0.000 1.129 1006 I CB 1.986 39.322 38.000 -1.106 0.000 1.288 1006 I HN 0.681 nan 8.210 nan 0.000 0.444 1007 T N 2.277 116.525 114.554 -0.510 0.000 2.856 1007 T HA 0.539 4.897 4.350 0.013 0.000 0.283 1007 T C -0.607 173.852 174.700 -0.401 0.000 1.008 1007 T CA -0.905 60.928 62.100 -0.445 0.000 0.997 1007 T CB 1.719 70.444 68.868 -0.239 0.000 0.992 1007 T HN 0.462 nan 8.240 nan 0.000 0.454 1008 N N 2.649 121.106 118.700 -0.405 0.000 2.249 1008 N HA 0.465 5.213 4.740 0.013 0.000 0.296 1008 N C -1.030 174.424 175.510 -0.094 0.000 1.051 1008 N CA -0.645 52.272 53.050 -0.221 0.000 0.815 1008 N CB 2.548 40.891 38.487 -0.241 0.000 1.487 1008 N HN 0.912 nan 8.380 nan 0.000 0.475 1009 N N -0.099 118.603 118.700 0.003 0.000 3.343 1009 N HA 0.286 5.034 4.740 0.013 0.000 0.330 1009 N C 1.001 176.618 175.510 0.178 0.000 1.560 1009 N CA -0.789 52.321 53.050 0.100 0.000 0.752 1009 N CB 0.379 38.956 38.487 0.151 0.000 1.863 1009 N HN 0.336 nan 8.380 nan 0.000 0.636 1010 L N -2.642 118.829 121.223 0.413 0.000 2.012 1010 L HA 0.087 4.435 4.340 0.013 0.000 0.210 1010 L C 1.227 178.211 176.870 0.190 0.000 1.073 1010 L CA 1.482 56.567 54.840 0.408 0.000 0.748 1010 L CB -0.678 41.618 42.059 0.395 0.000 0.891 1010 L HN 0.393 nan 8.230 nan 0.000 0.431 1011 N N 0.008 118.789 118.700 0.135 0.000 2.245 1011 N HA 0.050 4.798 4.740 0.013 0.000 0.185 1011 N C 0.291 175.835 175.510 0.056 0.000 1.036 1011 N CA 0.697 53.793 53.050 0.077 0.000 0.857 1011 N CB -0.181 38.336 38.487 0.050 0.000 1.015 1011 N HN 0.477 nan 8.380 nan 0.000 0.436 1012 N N 0.142 118.868 118.700 0.042 0.000 2.457 1012 N HA 0.511 5.259 4.740 0.013 0.000 0.290 1012 N C -1.066 174.446 175.510 0.004 0.000 1.232 1012 N CA -0.400 52.657 53.050 0.013 0.000 0.852 1012 N CB 2.232 40.708 38.487 -0.019 0.000 1.313 1012 N HN 0.015 nan 8.380 nan 0.000 0.522 1013 A N 0.903 123.717 122.820 -0.009 0.000 2.311 1013 A HA 0.509 4.838 4.320 0.013 0.000 0.306 1013 A C -0.537 176.984 177.584 -0.106 0.000 1.189 1013 A CA -0.648 51.376 52.037 -0.021 0.000 0.791 1013 A CB 0.677 19.750 19.000 0.123 0.000 1.172 1013 A HN 0.529 nan 8.150 nan 0.000 0.481 1014 K N 2.008 122.294 120.400 -0.190 0.000 2.259 1014 K HA 0.702 5.030 4.320 0.013 0.000 0.252 1014 K C -1.282 175.127 176.600 -0.319 0.000 0.936 1014 K CA -0.446 55.682 56.287 -0.265 0.000 0.810 1014 K CB 2.526 34.859 32.500 -0.278 0.000 1.143 1014 K HN 0.637 nan 8.250 nan 0.000 0.427 1015 I N 2.991 123.336 120.570 -0.376 0.000 2.406 1015 I HA 0.297 4.475 4.170 0.013 0.000 0.290 1015 I C -1.159 174.680 176.117 -0.463 0.000 0.999 1015 I CA -0.888 60.209 61.300 -0.338 0.000 1.124 1015 I CB 0.911 38.775 38.000 -0.227 0.000 1.289 1015 I HN 0.461 nan 8.210 nan 0.000 0.441 1016 Y N 6.231 126.266 120.300 -0.442 0.000 2.377 1016 Y HA 0.535 5.093 4.550 0.014 0.000 0.339 1016 Y C -0.059 175.495 175.900 -0.576 0.000 1.011 1016 Y CA -0.893 56.932 58.100 -0.458 0.000 1.093 1016 Y CB 1.688 39.896 38.460 -0.420 0.000 1.201 1016 Y HN 0.229 nan 8.280 nan 0.000 0.455 1017 I N 3.643 123.944 120.570 -0.449 0.000 2.418 1017 I HA 0.196 4.374 4.170 0.013 0.000 0.287 1017 I C -0.258 175.620 176.117 -0.398 0.000 1.008 1017 I CA -1.019 59.957 61.300 -0.539 0.000 1.104 1017 I CB 1.314 38.737 38.000 -0.963 0.000 1.264 1017 I HN 0.732 nan 8.210 nan 0.000 0.438 1018 N N 5.135 123.584 118.700 -0.418 0.000 2.716 1018 N HA -0.216 4.532 4.740 0.013 0.000 0.250 1018 N C 1.172 176.152 175.510 -0.884 0.000 1.033 1018 N CA 1.334 53.889 53.050 -0.825 0.000 0.727 1018 N CB -0.933 37.229 38.487 -0.542 0.000 0.950 1018 N HN 1.143 nan 8.380 nan 0.000 0.541 1019 G N -1.232 107.304 108.800 -0.440 0.000 2.234 1019 G HA2 -0.381 3.587 3.960 0.013 0.000 0.260 1019 G HA3 -0.381 3.587 3.960 0.013 0.000 0.260 1019 G C 0.062 174.929 174.900 -0.055 0.000 0.987 1019 G CA 0.839 45.822 45.100 -0.196 0.000 0.625 1019 G HN 0.681 nan 8.290 nan 0.000 0.532 1020 K N 0.484 120.819 120.400 -0.109 0.000 2.183 1020 K HA 0.642 4.970 4.320 0.013 0.000 0.274 1020 K C 0.212 176.733 176.600 -0.132 0.000 1.009 1020 K CA -1.054 55.192 56.287 -0.069 0.000 0.888 1020 K CB 0.886 33.324 32.500 -0.104 0.000 1.078 1020 K HN 0.189 nan 8.250 nan 0.000 0.459 1021 L N 4.261 125.370 121.223 -0.191 0.000 2.462 1021 L HA 0.063 4.411 4.340 0.013 0.000 0.272 1021 L C 0.494 177.141 176.870 -0.372 0.000 1.166 1021 L CA 0.932 55.442 54.840 -0.550 0.000 0.880 1021 L CB 0.651 42.386 42.059 -0.539 0.000 1.142 1021 L HN 0.807 nan 8.230 nan 0.000 0.473 1022 E N 2.022 121.974 120.200 -0.414 0.000 2.367 1022 E HA 0.254 4.612 4.350 0.013 0.000 0.204 1022 E C -0.236 176.248 176.600 -0.193 0.000 0.840 1022 E CA 0.277 56.530 56.400 -0.245 0.000 1.051 1022 E CB 0.641 30.166 29.700 -0.292 0.000 1.051 1022 E HN 0.679 nan 8.360 nan 0.000 0.509 1023 S N 0.689 116.223 115.700 -0.276 0.000 2.588 1023 S HA 0.520 4.998 4.470 0.013 0.000 0.275 1023 S C -0.831 173.607 174.600 -0.270 0.000 1.130 1023 S CA -0.902 57.147 58.200 -0.253 0.000 0.855 1023 S CB 2.437 65.484 63.200 -0.255 0.000 1.116 1023 S HN 0.066 nan 8.310 nan 0.000 0.472 1024 N N 0.529 119.098 118.700 -0.219 0.000 2.371 1024 N HA 0.466 5.214 4.740 0.013 0.000 0.280 1024 N C -2.091 173.344 175.510 -0.124 0.000 1.084 1024 N CA -0.195 52.752 53.050 -0.173 0.000 0.892 1024 N CB 2.280 40.672 38.487 -0.159 0.000 1.653 1024 N HN 0.574 nan 8.380 nan 0.000 0.480 1025 T N 1.438 115.945 114.554 -0.078 0.000 2.991 1025 T HA 0.159 4.517 4.350 0.013 0.000 0.303 1025 T C -1.173 173.523 174.700 -0.007 0.000 1.015 1025 T CA -0.649 61.429 62.100 -0.036 0.000 1.007 1025 T CB 1.382 70.246 68.868 -0.006 0.000 1.034 1025 T HN 0.406 nan 8.240 nan 0.000 0.446 1026 D N 3.548 123.946 120.400 -0.004 0.000 2.371 1026 D HA 0.095 4.743 4.640 0.013 0.000 0.256 1026 D C 0.541 176.859 176.300 0.030 0.000 1.193 1026 D CA -0.168 53.838 54.000 0.011 0.000 0.881 1026 D CB 0.565 41.369 40.800 0.006 0.000 1.143 1026 D HN 0.669 nan 8.370 nan 0.000 0.473 1027 I N 1.021 121.618 120.570 0.045 0.000 3.283 1027 I HA 0.212 4.390 4.170 0.013 0.000 0.342 1027 I C 1.117 177.272 176.117 0.063 0.000 1.510 1027 I CA -0.849 60.487 61.300 0.060 0.000 1.006 1027 I CB 0.525 38.576 38.000 0.085 0.000 1.596 1027 I HN 0.048 nan 8.210 nan 0.000 0.509 1028 K N 1.167 121.598 120.400 0.051 0.000 2.057 1028 K HA -0.081 4.247 4.320 0.013 0.000 0.206 1028 K C 1.030 177.660 176.600 0.050 0.000 1.050 1028 K CA 1.606 57.926 56.287 0.054 0.000 0.935 1028 K CB 0.049 32.573 32.500 0.040 0.000 0.715 1028 K HN 0.461 nan 8.250 nan 0.000 0.439 1029 D N 0.775 121.199 120.400 0.040 0.000 2.219 1029 D HA -0.087 4.561 4.640 0.013 0.000 0.205 1029 D C 0.750 177.073 176.300 0.038 0.000 0.970 1029 D CA 0.592 54.613 54.000 0.035 0.000 0.851 1029 D CB 0.024 40.840 40.800 0.027 0.000 0.943 1029 D HN 0.051 nan 8.370 nan 0.000 0.488 1030 I N 2.650 123.247 120.570 0.045 0.000 2.668 1030 I HA -0.075 4.103 4.170 0.013 0.000 0.285 1030 I C 1.302 177.449 176.117 0.050 0.000 1.168 1030 I CA 0.271 61.599 61.300 0.046 0.000 1.424 1030 I CB 0.313 38.348 38.000 0.058 0.000 1.377 1030 I HN -0.153 nan 8.210 nan 0.000 0.560 1031 R N 4.469 124.992 120.500 0.038 0.000 2.515 1031 R HA 0.230 4.578 4.340 0.013 0.000 0.209 1031 R C 0.211 176.529 176.300 0.031 0.000 1.255 1031 R CA -0.803 55.320 56.100 0.037 0.000 1.006 1031 R CB -0.114 30.201 30.300 0.026 0.000 1.839 1031 R HN 0.520 nan 8.270 nan 0.000 0.514 1032 E N 1.093 121.305 120.200 0.019 0.000 2.529 1032 E HA 0.023 4.381 4.350 0.013 0.000 0.259 1032 E C -0.988 175.602 176.600 -0.017 0.000 0.966 1032 E CA 0.221 56.620 56.400 -0.001 0.000 0.937 1032 E CB 0.514 30.210 29.700 -0.007 0.000 0.923 1032 E HN 0.068 nan 8.360 nan 0.000 0.468 1033 V N 7.034 126.924 119.914 -0.040 0.000 2.443 1033 V HA 0.253 4.381 4.120 0.013 0.000 0.293 1033 V C 0.028 176.045 176.094 -0.128 0.000 1.021 1033 V CA -0.636 61.635 62.300 -0.048 0.000 0.848 1033 V CB 1.420 33.252 31.823 0.015 0.000 0.998 1033 V HN 0.576 nan 8.190 nan 0.000 0.424 1034 I N 4.174 124.674 120.570 -0.117 0.000 2.347 1034 I HA 0.320 4.498 4.170 0.013 0.000 0.294 1034 I C 1.151 177.161 176.117 -0.179 0.000 1.090 1034 I CA 0.152 61.359 61.300 -0.155 0.000 1.314 1034 I CB 1.111 39.050 38.000 -0.101 0.000 1.423 1034 I HN 0.715 nan 8.210 nan 0.000 0.503 1035 A N 5.063 127.686 122.820 -0.330 0.000 2.430 1035 A HA 0.089 4.417 4.320 0.013 0.000 0.243 1035 A C 1.059 178.734 177.584 0.152 0.000 1.254 1035 A CA -0.182 51.747 52.037 -0.180 0.000 0.914 1035 A CB -0.374 18.232 19.000 -0.657 0.000 0.998 1035 A HN 0.790 nan 8.150 nan 0.000 0.515 1036 N N 0.048 118.809 118.700 0.101 0.000 2.321 1036 N HA 0.225 4.973 4.740 0.013 0.000 0.242 1036 N C 0.615 176.191 175.510 0.111 0.000 1.141 1036 N CA 0.345 53.555 53.050 0.267 0.000 0.864 1036 N CB -0.309 38.373 38.487 0.324 0.000 1.100 1036 N HN 0.134 nan 8.380 nan 0.000 0.510 1037 G N -0.183 108.626 108.800 0.015 0.000 2.553 1037 G HA2 0.153 4.121 3.960 0.013 0.000 0.278 1037 G HA3 0.153 4.121 3.960 0.013 0.000 0.278 1037 G C -0.328 174.558 174.900 -0.024 0.000 1.349 1037 G CA -0.607 44.473 45.100 -0.034 0.000 1.037 1037 G HN 0.264 nan 8.290 nan 0.000 0.508 1038 E N -0.675 119.500 120.200 -0.041 0.000 2.360 1038 E HA 0.128 4.486 4.350 0.013 0.000 0.269 1038 E C -0.229 176.328 176.600 -0.071 0.000 1.022 1038 E CA 0.284 56.672 56.400 -0.019 0.000 0.887 1038 E CB 1.285 30.978 29.700 -0.011 0.000 0.990 1038 E HN 0.187 nan 8.360 nan 0.000 0.426 1039 I N 4.333 124.898 120.570 -0.009 0.000 2.315 1039 I HA 0.187 4.365 4.170 0.013 0.000 0.291 1039 I C -0.153 175.953 176.117 -0.019 0.000 1.006 1039 I CA -0.556 60.696 61.300 -0.080 0.000 1.265 1039 I CB 0.698 38.746 38.000 0.080 0.000 1.387 1039 I HN 0.248 nan 8.210 nan 0.000 0.475 1040 I N 6.979 127.469 120.570 -0.133 0.000 2.355 1040 I HA 0.283 4.461 4.170 0.013 0.000 0.288 1040 I C -0.510 175.562 176.117 -0.075 0.000 0.999 1040 I CA -0.414 60.873 61.300 -0.022 0.000 1.163 1040 I CB 0.877 38.848 38.000 -0.049 0.000 1.316 1040 I HN 0.324 nan 8.210 nan 0.000 0.454 1041 F N 6.347 126.273 119.950 -0.040 0.000 2.371 1041 F HA 0.521 5.057 4.527 0.015 0.000 0.363 1041 F C 0.525 176.340 175.800 0.025 0.000 1.122 1041 F CA -0.331 57.661 58.000 -0.014 0.000 1.129 1041 F CB 0.739 39.721 39.000 -0.031 0.000 1.173 1041 F HN 0.368 nan 8.300 nan 0.000 0.489 1042 K N 3.856 124.354 120.400 0.163 0.000 2.610 1042 K HA 0.317 4.645 4.320 0.013 0.000 0.267 1042 K C -1.838 174.828 176.600 0.111 0.000 0.943 1042 K CA -0.693 55.668 56.287 0.124 0.000 0.862 1042 K CB 1.301 33.842 32.500 0.069 0.000 1.376 1042 K HN 0.525 nan 8.250 nan 0.000 0.412 1043 L N 3.488 124.782 121.223 0.119 0.000 2.433 1043 L HA 0.200 4.548 4.340 0.013 0.000 0.275 1043 L C -0.144 176.782 176.870 0.093 0.000 1.128 1043 L CA 0.135 55.064 54.840 0.149 0.000 0.875 1043 L CB 0.335 42.440 42.059 0.078 0.000 1.171 1043 L HN 0.547 nan 8.230 nan 0.000 0.463 1044 D N 3.510 123.985 120.400 0.125 0.000 2.440 1044 D HA 0.608 5.256 4.640 0.013 0.000 0.252 1044 D C -0.241 176.112 176.300 0.088 0.000 1.180 1044 D CA 0.016 54.054 54.000 0.064 0.000 0.894 1044 D CB 1.762 42.577 40.800 0.026 0.000 1.111 1044 D HN 0.711 nan 8.370 nan 0.000 0.544 1045 G N 2.324 111.159 108.800 0.057 0.000 2.317 1045 G HA2 0.076 4.044 3.960 0.013 0.000 0.293 1045 G HA3 0.076 4.044 3.960 0.013 0.000 0.293 1045 G C -1.335 173.571 174.900 0.009 0.000 1.287 1045 G CA -0.795 44.341 45.100 0.059 0.000 0.850 1045 G HN 0.257 nan 8.290 nan 0.000 0.515 1046 D N 0.868 121.272 120.400 0.008 0.000 2.551 1046 D HA 0.378 5.026 4.640 0.013 0.000 0.223 1046 D C 1.054 177.325 176.300 -0.048 0.000 1.144 1046 D CA -0.269 53.723 54.000 -0.014 0.000 1.025 1046 D CB -0.600 40.202 40.800 0.004 0.000 1.085 1046 D HN 0.610 nan 8.370 nan 0.000 0.506 1047 I N -1.947 118.559 120.570 -0.107 0.000 2.783 1047 I HA 0.486 4.664 4.170 0.013 0.000 0.312 1047 I C 0.228 176.272 176.117 -0.122 0.000 0.988 1047 I CA -0.987 60.196 61.300 -0.196 0.000 1.182 1047 I CB 1.387 39.160 38.000 -0.379 0.000 1.368 1047 I HN -0.082 nan 8.210 nan 0.000 0.511 1048 D N 2.476 122.803 120.400 -0.123 0.000 2.345 1048 D HA 0.075 4.723 4.640 0.013 0.000 0.247 1048 D C 1.169 177.432 176.300 -0.062 0.000 1.108 1048 D CA -0.379 53.583 54.000 -0.065 0.000 0.894 1048 D CB 1.378 42.153 40.800 -0.042 0.000 1.203 1048 D HN 0.754 nan 8.370 nan 0.000 0.430 1049 R N 1.014 121.495 120.500 -0.032 0.000 2.241 1049 R HA -0.118 4.230 4.340 0.013 0.000 0.224 1049 R C 1.332 177.635 176.300 0.006 0.000 1.101 1049 R CA 1.529 57.618 56.100 -0.018 0.000 0.995 1049 R CB -0.669 29.626 30.300 -0.009 0.000 0.870 1049 R HN 0.382 nan 8.270 nan 0.000 0.463 1050 T N -2.996 111.567 114.554 0.015 0.000 3.081 1050 T HA -0.015 4.343 4.350 0.013 0.000 0.250 1050 T C 0.663 175.425 174.700 0.104 0.000 1.100 1050 T CA -0.338 61.805 62.100 0.071 0.000 1.038 1050 T CB 0.161 69.067 68.868 0.062 0.000 0.962 1050 T HN 0.174 nan 8.240 nan 0.000 0.516 1051 Q N 1.752 121.545 119.800 -0.013 0.000 2.364 1051 Q HA 0.485 4.833 4.340 0.013 0.000 0.267 1051 Q C -0.613 175.398 176.000 0.018 0.000 0.999 1051 Q CA -0.246 55.489 55.803 -0.112 0.000 0.886 1051 Q CB 0.063 28.641 28.738 -0.267 0.000 1.243 1051 Q HN 0.610 nan 8.270 nan 0.000 0.415 1052 F N 1.385 121.297 119.950 -0.063 0.000 2.741 1052 F HA 0.754 5.289 4.527 0.013 0.000 0.313 1052 F C -1.709 174.074 175.800 -0.028 0.000 1.153 1052 F CA -1.328 56.623 58.000 -0.082 0.000 0.931 1052 F CB 1.126 40.036 39.000 -0.151 0.000 1.335 1052 F HN 0.296 nan 8.300 nan 0.000 0.460 1053 I N 1.111 121.798 120.570 0.194 0.000 2.692 1053 I HA 0.238 4.416 4.170 0.013 0.000 0.293 1053 I C -1.765 174.396 176.117 0.074 0.000 1.200 1053 I CA -0.955 60.428 61.300 0.137 0.000 1.036 1053 I CB 1.901 39.996 38.000 0.159 0.000 1.258 1053 I HN 0.847 nan 8.210 nan 0.000 0.421 1054 W N 6.099 127.422 121.300 0.039 0.000 2.551 1054 W HA 0.740 5.406 4.660 0.011 0.000 0.330 1054 W C 0.138 176.591 176.519 -0.109 0.000 1.063 1054 W CA -0.451 56.855 57.345 -0.064 0.000 1.222 1054 W CB 1.832 31.145 29.460 -0.245 0.000 1.349 1054 W HN 0.322 nan 8.180 nan 0.000 0.536 1055 M N 3.108 122.787 119.600 0.132 0.000 2.593 1055 M HA 0.517 5.005 4.480 0.013 0.000 0.290 1055 M C -1.455 174.894 176.300 0.080 0.000 1.244 1055 M CA -0.766 54.580 55.300 0.076 0.000 0.857 1055 M CB 2.391 34.760 32.600 -0.385 0.000 1.738 1055 M HN 0.409 nan 8.290 nan 0.000 0.461 1056 K N 1.779 122.395 120.400 0.361 0.000 2.562 1056 K HA 0.317 4.645 4.320 0.013 0.000 0.267 1056 K C -1.594 175.315 176.600 0.516 0.000 0.938 1056 K CA -0.502 55.901 56.287 0.194 0.000 0.840 1056 K CB 1.303 33.589 32.500 -0.356 0.000 1.390 1056 K HN 0.837 nan 8.250 nan 0.000 0.428 1057 Y N 1.398 121.969 120.300 0.452 0.000 3.125 1057 Y HA -0.286 4.272 4.550 0.012 0.000 0.200 1057 Y C -0.608 175.653 175.900 0.602 0.000 1.373 1057 Y CA -0.065 58.321 58.100 0.477 0.000 1.180 1057 Y CB -1.193 37.540 38.460 0.455 0.000 1.381 1057 Y HN 0.492 nan 8.280 nan 0.000 0.501 1058 F N 2.603 122.955 119.950 0.669 0.000 2.504 1058 F HA 0.421 4.955 4.527 0.011 0.000 0.369 1058 F C 0.465 176.560 175.800 0.491 0.000 1.082 1058 F CA 0.273 58.656 58.000 0.639 0.000 1.216 1058 F CB 0.583 39.983 39.000 0.666 0.000 1.108 1058 F HN 0.084 nan 8.300 nan 0.000 0.554 1059 S N 6.068 121.667 115.700 -0.167 0.000 2.556 1059 S HA 0.761 5.239 4.470 0.013 0.000 0.271 1059 S C -1.074 173.413 174.600 -0.189 0.000 1.135 1059 S CA -0.984 57.169 58.200 -0.078 0.000 0.858 1059 S CB 1.653 64.880 63.200 0.046 0.000 1.114 1059 S HN 0.556 nan 8.310 nan 0.000 0.468 1060 I N 1.528 122.040 120.570 -0.096 0.000 2.509 1060 I HA 0.534 4.712 4.170 0.013 0.000 0.293 1060 I C -1.496 174.579 176.117 -0.070 0.000 1.020 1060 I CA -0.661 60.646 61.300 0.013 0.000 1.088 1060 I CB 1.641 39.697 38.000 0.094 0.000 1.267 1060 I HN 0.548 nan 8.210 nan 0.000 0.430 1061 F N 3.373 123.307 119.950 -0.027 0.000 2.482 1061 F HA 0.279 4.816 4.527 0.017 0.000 0.331 1061 F C 0.810 176.629 175.800 0.032 0.000 1.115 1061 F CA -0.999 56.987 58.000 -0.023 0.000 0.955 1061 F CB 1.222 40.198 39.000 -0.041 0.000 1.136 1061 F HN 0.479 nan 8.300 nan 0.000 0.452 1062 N N 0.197 118.980 118.700 0.139 0.000 2.410 1062 N HA 0.094 4.842 4.740 0.013 0.000 0.231 1062 N C -0.318 175.336 175.510 0.239 0.000 1.172 1062 N CA 0.055 53.203 53.050 0.163 0.000 0.849 1062 N CB 0.339 38.828 38.487 0.003 0.000 1.116 1062 N HN 0.550 nan 8.380 nan 0.000 0.485 1063 T N -1.372 113.324 114.554 0.236 0.000 2.802 1063 T HA 0.180 4.538 4.350 0.013 0.000 0.311 1063 T C -1.977 172.755 174.700 0.054 0.000 1.405 1063 T CA -0.849 61.341 62.100 0.150 0.000 1.016 1063 T CB 1.368 70.311 68.868 0.125 0.000 1.352 1063 T HN 0.248 nan 8.240 nan 0.000 0.498 1064 E N 3.091 123.296 120.200 0.008 0.000 2.180 1064 E HA 0.353 4.711 4.350 0.013 0.000 0.283 1064 E C -0.420 176.091 176.600 -0.149 0.000 1.061 1064 E CA -0.371 55.977 56.400 -0.086 0.000 0.861 1064 E CB 0.369 30.048 29.700 -0.034 0.000 1.056 1064 E HN 0.483 nan 8.360 nan 0.000 0.407 1065 L N 3.601 124.653 121.223 -0.285 0.000 2.439 1065 L HA 0.113 4.461 4.340 0.013 0.000 0.269 1065 L C 0.758 177.444 176.870 -0.308 0.000 1.179 1065 L CA -0.292 54.326 54.840 -0.369 0.000 0.828 1065 L CB 1.057 42.764 42.059 -0.585 0.000 1.106 1065 L HN 0.607 nan 8.230 nan 0.000 0.467 1066 S N 0.991 116.537 115.700 -0.256 0.000 2.652 1066 S HA 0.093 4.571 4.470 0.013 0.000 0.270 1066 S C 0.625 175.053 174.600 -0.286 0.000 1.243 1066 S CA -0.686 57.395 58.200 -0.198 0.000 0.999 1066 S CB 1.607 64.734 63.200 -0.121 0.000 0.973 1066 S HN 0.671 nan 8.310 nan 0.000 0.544 1067 Q N 0.868 120.545 119.800 -0.205 0.000 2.181 1067 Q HA -0.136 4.212 4.340 0.013 0.000 0.205 1067 Q C 2.049 177.948 176.000 -0.167 0.000 0.980 1067 Q CA 2.081 57.759 55.803 -0.208 0.000 0.862 1067 Q CB -0.740 28.007 28.738 0.016 0.000 0.905 1067 Q HN 0.823 nan 8.270 nan 0.000 0.429 1068 S N 0.295 115.925 115.700 -0.118 0.000 2.371 1068 S HA -0.064 4.414 4.470 0.013 0.000 0.224 1068 S C 1.579 176.118 174.600 -0.102 0.000 1.029 1068 S CA 0.960 59.111 58.200 -0.083 0.000 0.978 1068 S CB -0.045 63.119 63.200 -0.060 0.000 0.833 1068 S HN 0.445 nan 8.310 nan 0.000 0.466 1069 N N 1.461 120.071 118.700 -0.149 0.000 2.166 1069 N HA 0.001 4.749 4.740 0.013 0.000 0.186 1069 N C 1.753 177.162 175.510 -0.167 0.000 1.019 1069 N CA 1.397 54.349 53.050 -0.162 0.000 0.856 1069 N CB -0.431 37.917 38.487 -0.232 0.000 0.993 1069 N HN 0.480 nan 8.380 nan 0.000 0.426 1070 I N 0.884 121.309 120.570 -0.241 0.000 2.252 1070 I HA -0.197 3.981 4.170 0.013 0.000 0.245 1070 I C 2.414 178.532 176.117 0.000 0.000 1.102 1070 I CA 0.902 62.084 61.300 -0.196 0.000 1.385 1070 I CB -0.182 37.513 38.000 -0.509 0.000 1.064 1070 I HN 0.025 nan 8.210 nan 0.000 0.414 1071 E N 1.528 121.711 120.200 -0.029 0.000 2.058 1071 E HA -0.289 4.069 4.350 0.013 0.000 0.194 1071 E C 2.010 178.670 176.600 0.101 0.000 0.997 1071 E CA 1.713 58.159 56.400 0.076 0.000 0.801 1071 E CB -0.150 29.571 29.700 0.036 0.000 0.746 1071 E HN 0.421 nan 8.360 nan 0.000 0.450 1072 E N -0.182 120.033 120.200 0.025 0.000 2.077 1072 E HA -0.236 4.122 4.350 0.013 0.000 0.193 1072 E C 2.273 178.878 176.600 0.007 0.000 0.989 1072 E CA 1.086 57.489 56.400 0.005 0.000 0.800 1072 E CB -0.115 29.572 29.700 -0.021 0.000 0.746 1072 E HN 0.139 nan 8.360 nan 0.000 0.452 1073 R N -0.627 119.886 120.500 0.021 0.000 2.096 1073 R HA -0.203 4.145 4.340 0.013 0.000 0.235 1073 R C 2.378 178.625 176.300 -0.088 0.000 1.127 1073 R CA 1.558 57.666 56.100 0.014 0.000 0.968 1073 R CB -0.404 29.959 30.300 0.105 0.000 0.861 1073 R HN 0.270 nan 8.270 nan 0.000 0.440 1074 Y N 1.443 121.598 120.300 -0.241 0.000 2.128 1074 Y HA -0.209 4.349 4.550 0.013 0.000 0.284 1074 Y C 1.608 177.469 175.900 -0.065 0.000 1.154 1074 Y CA 1.822 59.699 58.100 -0.370 0.000 1.149 1074 Y CB -0.103 38.302 38.460 -0.092 0.000 0.976 1074 Y HN -0.042 nan 8.280 nan 0.000 0.505 1075 K N -0.074 120.242 120.400 -0.139 0.000 2.097 1075 K HA -0.109 4.219 4.320 0.013 0.000 0.205 1075 K C 2.137 178.672 176.600 -0.109 0.000 1.050 1075 K CA 1.754 57.922 56.287 -0.198 0.000 0.938 1075 K CB -0.229 32.220 32.500 -0.085 0.000 0.718 1075 K HN 0.370 nan 8.250 nan 0.000 0.442 1076 I N 1.301 121.828 120.570 -0.070 0.000 2.202 1076 I HA -0.278 3.900 4.170 0.013 0.000 0.242 1076 I C 2.131 178.230 176.117 -0.030 0.000 1.091 1076 I CA 1.396 62.666 61.300 -0.050 0.000 1.368 1076 I CB -0.167 37.801 38.000 -0.055 0.000 1.058 1076 I HN 0.207 nan 8.210 nan 0.000 0.410 1077 Q N -0.222 119.563 119.800 -0.026 0.000 2.435 1077 Q HA -0.023 4.325 4.340 0.013 0.000 0.207 1077 Q C 2.134 178.056 176.000 -0.129 0.000 0.956 1077 Q CA 0.729 56.540 55.803 0.013 0.000 0.917 1077 Q CB 0.178 29.047 28.738 0.218 0.000 0.997 1077 Q HN 0.371 nan 8.270 nan 0.000 0.497 1078 S N -0.112 115.516 115.700 -0.120 0.000 2.478 1078 S HA -0.028 4.450 4.470 0.013 0.000 0.222 1078 S C 0.190 174.662 174.600 -0.214 0.000 1.008 1078 S CA -0.173 57.897 58.200 -0.215 0.000 0.928 1078 S CB -0.047 62.993 63.200 -0.266 0.000 0.781 1078 S HN 0.367 nan 8.310 nan 0.000 0.518 1079 Y N 3.752 123.915 120.300 -0.229 0.000 2.610 1079 Y HA 0.276 4.833 4.550 0.012 0.000 0.332 1079 Y C 0.353 176.071 175.900 -0.305 0.000 1.201 1079 Y CA -0.039 57.921 58.100 -0.233 0.000 1.465 1079 Y CB 0.291 38.639 38.460 -0.186 0.000 1.283 1079 Y HN 0.150 nan 8.280 nan 0.000 0.563 1080 S N 3.490 118.273 115.700 -1.529 0.000 2.552 1080 S HA 0.288 4.766 4.470 0.013 0.000 0.272 1080 S C -0.295 173.544 174.600 -1.270 0.000 1.150 1080 S CA -0.994 56.418 58.200 -1.313 0.000 0.849 1080 S CB 1.581 63.900 63.200 -1.468 0.000 1.113 1080 S HN 0.638 nan 8.310 nan 0.000 0.458 1081 E N 0.143 119.832 120.200 -0.851 0.000 2.285 1081 E HA 0.094 4.452 4.350 0.013 0.000 0.194 1081 E C 0.205 176.590 176.600 -0.360 0.000 0.997 1081 E CA 0.854 56.988 56.400 -0.444 0.000 0.845 1081 E CB -0.173 29.420 29.700 -0.177 0.000 0.782 1081 E HN 0.771 nan 8.360 nan 0.000 0.491 1082 Y N -0.826 119.331 120.300 -0.239 0.000 2.488 1082 Y HA 0.573 5.131 4.550 0.012 0.000 0.325 1082 Y C 0.344 176.109 175.900 -0.225 0.000 1.204 1082 Y CA -1.508 56.468 58.100 -0.207 0.000 1.229 1082 Y CB 0.111 38.464 38.460 -0.179 0.000 1.274 1082 Y HN -0.328 nan 8.280 nan 0.000 0.493 1083 L N 1.790 123.043 121.223 0.050 0.000 2.479 1083 L HA 0.465 4.813 4.340 0.013 0.000 0.249 1083 L C 0.022 176.935 176.870 0.072 0.000 1.178 1083 L CA -0.630 54.202 54.840 -0.013 0.000 0.811 1083 L CB 0.640 42.649 42.059 -0.083 0.000 1.187 1083 L HN 0.691 nan 8.230 nan 0.000 0.480 1084 K N -0.484 119.921 120.400 0.008 0.000 2.350 1084 K HA 0.400 4.728 4.320 0.013 0.000 0.241 1084 K C -1.382 175.164 176.600 -0.091 0.000 0.994 1084 K CA -0.944 55.312 56.287 -0.053 0.000 0.839 1084 K CB 1.617 34.046 32.500 -0.118 0.000 1.244 1084 K HN 0.613 nan 8.250 nan 0.000 0.443 1085 D N -0.493 119.826 120.400 -0.135 0.000 2.529 1085 D HA 0.034 4.682 4.640 0.013 0.000 0.273 1085 D C 0.743 176.968 176.300 -0.124 0.000 1.197 1085 D CA -0.574 53.362 54.000 -0.108 0.000 1.070 1085 D CB 0.159 40.930 40.800 -0.048 0.000 1.134 1085 D HN 0.423 nan 8.370 nan 0.000 0.590 1086 F N -0.547 119.206 119.950 -0.329 0.000 2.154 1086 F HA -0.078 4.457 4.527 0.014 0.000 0.301 1086 F C 1.363 176.927 175.800 -0.395 0.000 1.087 1086 F CA 1.270 58.986 58.000 -0.474 0.000 1.274 1086 F CB -0.091 38.377 39.000 -0.887 0.000 1.009 1086 F HN 0.392 nan 8.300 nan 0.000 0.485 1087 W N -0.358 120.982 121.300 0.066 0.000 3.047 1087 W HA 0.282 4.949 4.660 0.013 0.000 0.250 1087 W C 1.822 178.264 176.519 -0.129 0.000 1.314 1087 W CA 0.476 57.830 57.345 0.013 0.000 1.540 1087 W CB -0.260 29.262 29.460 0.104 0.000 1.127 1087 W HN 0.200 nan 8.180 nan 0.000 0.679 1088 G N 0.042 108.598 108.800 -0.406 0.000 2.159 1088 G HA2 -0.265 3.703 3.960 0.013 0.000 0.227 1088 G HA3 -0.265 3.703 3.960 0.013 0.000 0.227 1088 G C 0.119 174.841 174.900 -0.297 0.000 0.986 1088 G CA -0.445 44.092 45.100 -0.939 0.000 0.651 1088 G HN 0.153 nan 8.290 nan 0.000 0.523 1089 N N 1.117 119.783 118.700 -0.055 0.000 2.463 1089 N HA 0.482 5.230 4.740 0.013 0.000 0.270 1089 N C -2.677 172.743 175.510 -0.150 0.000 1.205 1089 N CA -1.417 51.593 53.050 -0.068 0.000 0.974 1089 N CB 0.719 39.231 38.487 0.042 0.000 1.197 1089 N HN 0.010 nan 8.380 nan 0.000 0.504 1090 P HA 0.005 nan 4.420 nan 0.000 0.265 1090 P C -0.128 177.025 177.300 -0.244 0.000 1.193 1090 P CA -0.223 62.602 63.100 -0.459 0.000 0.765 1090 P CB 0.444 31.635 31.700 -0.849 0.000 0.823 1091 L N 4.695 125.794 121.223 -0.206 0.000 2.380 1091 L HA 0.271 4.619 4.340 0.013 0.000 0.273 1091 L C -0.174 176.586 176.870 -0.184 0.000 1.138 1091 L CA 0.915 55.643 54.840 -0.188 0.000 0.832 1091 L CB -0.129 41.756 42.059 -0.290 0.000 1.124 1091 L HN 0.283 nan 8.230 nan 0.000 0.454 1092 M N 4.141 123.726 119.600 -0.026 0.000 2.662 1092 M HA 0.329 4.817 4.480 0.013 0.000 0.310 1092 M C -0.826 175.408 176.300 -0.111 0.000 1.204 1092 M CA -0.463 54.791 55.300 -0.077 0.000 0.891 1092 M CB 1.587 34.180 32.600 -0.012 0.000 1.732 1092 M HN 0.379 nan 8.290 nan 0.000 0.467 1093 Y N 1.098 121.387 120.300 -0.019 0.000 2.316 1093 Y HA 0.203 4.761 4.550 0.013 0.000 0.324 1093 Y C 0.951 176.835 175.900 -0.026 0.000 1.267 1093 Y CA 0.309 58.398 58.100 -0.019 0.000 1.311 1093 Y CB 0.593 39.038 38.460 -0.024 0.000 1.267 1093 Y HN 0.746 nan 8.280 nan 0.000 0.516 1094 N N 0.912 119.715 118.700 0.171 0.000 2.735 1094 N HA -0.249 4.499 4.740 0.013 0.000 0.248 1094 N C -0.814 174.691 175.510 -0.007 0.000 1.083 1094 N CA 0.886 53.989 53.050 0.088 0.000 0.703 1094 N CB -0.902 37.637 38.487 0.087 0.000 1.005 1094 N HN 0.574 nan 8.380 nan 0.000 0.550 1095 K N 0.936 121.262 120.400 -0.123 0.000 2.471 1095 K HA 0.236 4.564 4.320 0.013 0.000 0.252 1095 K C -0.544 175.752 176.600 -0.507 0.000 0.938 1095 K CA -0.507 55.572 56.287 -0.346 0.000 0.796 1095 K CB 1.502 33.686 32.500 -0.526 0.000 1.161 1095 K HN 0.029 nan 8.250 nan 0.000 0.425 1096 E N 3.253 123.270 120.200 -0.305 0.000 2.366 1096 E HA 0.034 4.392 4.350 0.013 0.000 0.266 1096 E C -1.027 175.390 176.600 -0.306 0.000 1.015 1096 E CA 0.414 56.704 56.400 -0.184 0.000 0.906 1096 E CB 0.487 30.133 29.700 -0.091 0.000 0.979 1096 E HN 0.388 nan 8.360 nan 0.000 0.443 1097 Y N 1.251 121.589 120.300 0.062 0.000 2.492 1097 Y HA 0.271 4.829 4.550 0.013 0.000 0.346 1097 Y C -0.580 175.373 175.900 0.088 0.000 0.997 1097 Y CA -1.207 56.974 58.100 0.134 0.000 1.025 1097 Y CB 1.311 40.003 38.460 0.386 0.000 1.263 1097 Y HN 0.443 nan 8.280 nan 0.000 0.454 1098 Y N 1.918 122.466 120.300 0.413 0.000 2.354 1098 Y HA 0.494 5.052 4.550 0.013 0.000 0.322 1098 Y C 0.142 176.154 175.900 0.188 0.000 1.253 1098 Y CA -0.676 57.608 58.100 0.308 0.000 1.272 1098 Y CB 0.994 39.568 38.460 0.191 0.000 1.255 1098 Y HN 0.363 nan 8.280 nan 0.000 0.500 1099 M N 2.497 122.251 119.600 0.256 0.000 2.404 1099 M HA 0.327 4.815 4.480 0.013 0.000 0.338 1099 M C -1.426 174.965 176.300 0.152 0.000 1.150 1099 M CA -0.567 54.694 55.300 -0.064 0.000 1.016 1099 M CB 1.467 33.742 32.600 -0.542 0.000 1.672 1099 M HN 0.582 nan 8.290 nan 0.000 0.448 1100 F N 3.087 123.023 119.950 -0.022 0.000 2.508 1100 F HA 0.496 5.031 4.527 0.014 0.000 0.325 1100 F C -0.778 175.059 175.800 0.063 0.000 1.090 1100 F CA -0.681 57.325 58.000 0.009 0.000 0.945 1100 F CB 1.175 40.121 39.000 -0.091 0.000 1.156 1100 F HN 0.471 nan 8.300 nan 0.000 0.463 1101 N N 4.197 122.372 118.700 -0.876 0.000 2.443 1101 N HA 0.338 5.086 4.740 0.013 0.000 0.269 1101 N C 0.252 175.093 175.510 -1.115 0.000 0.985 1101 N CA 0.201 52.653 53.050 -0.997 0.000 0.921 1101 N CB 2.037 39.954 38.487 -0.951 0.000 1.195 1101 N HN 0.891 nan 8.380 nan 0.000 0.492 1102 A N 2.787 125.168 122.820 -0.732 0.000 2.070 1102 A HA -0.023 4.305 4.320 0.013 0.000 0.220 1102 A C 1.672 179.085 177.584 -0.285 0.000 1.159 1102 A CA 1.798 53.614 52.037 -0.367 0.000 0.656 1102 A CB -0.358 18.598 19.000 -0.074 0.000 0.800 1102 A HN 0.695 nan 8.150 nan 0.000 0.453 1103 G N -1.337 107.259 108.800 -0.340 0.000 2.838 1103 G HA2 0.159 4.127 3.960 0.013 0.000 0.210 1103 G HA3 0.159 4.127 3.960 0.013 0.000 0.210 1103 G C 0.176 174.952 174.900 -0.206 0.000 1.153 1103 G CA 0.239 45.212 45.100 -0.213 0.000 0.778 1103 G HN 0.528 nan 8.290 nan 0.000 0.539 1104 N N -0.168 118.349 118.700 -0.305 0.000 2.687 1104 N HA 0.232 4.980 4.740 0.013 0.000 0.275 1104 N C 0.882 176.222 175.510 -0.283 0.000 1.789 1104 N CA -0.358 52.554 53.050 -0.230 0.000 0.806 1104 N CB 1.251 39.621 38.487 -0.196 0.000 1.256 1104 N HN 0.006 nan 8.380 nan 0.000 0.500 1105 K N 0.183 120.433 120.400 -0.251 0.000 2.052 1105 K HA -0.155 4.173 4.320 0.013 0.000 0.215 1105 K C 0.554 177.153 176.600 -0.003 0.000 1.053 1105 K CA 1.259 57.442 56.287 -0.173 0.000 0.934 1105 K CB -0.020 32.529 32.500 0.082 0.000 0.717 1105 K HN 0.305 nan 8.250 nan 0.000 0.450 1106 N N 0.567 119.282 118.700 0.026 0.000 2.421 1106 N HA 0.018 4.766 4.740 0.013 0.000 0.201 1106 N C -0.560 174.991 175.510 0.068 0.000 1.198 1106 N CA 0.302 53.399 53.050 0.077 0.000 0.838 1106 N CB 0.442 38.971 38.487 0.071 0.000 1.011 1106 N HN 0.026 nan 8.380 nan 0.000 0.463 1107 S N 0.103 115.812 115.700 0.014 0.000 2.621 1107 S HA 0.640 5.118 4.470 0.013 0.000 0.302 1107 S C -0.649 174.005 174.600 0.090 0.000 1.093 1107 S CA -0.739 57.454 58.200 -0.012 0.000 1.017 1107 S CB 1.463 64.614 63.200 -0.082 0.000 1.077 1107 S HN 0.358 nan 8.310 nan 0.000 0.517 1108 Y N -1.232 119.068 120.300 -0.000 0.000 2.615 1108 Y HA 0.771 5.329 4.550 0.013 0.000 0.341 1108 Y C -1.459 174.442 175.900 0.002 0.000 1.089 1108 Y CA -1.483 56.631 58.100 0.023 0.000 1.049 1108 Y CB 0.459 38.941 38.460 0.037 0.000 1.296 1108 Y HN 0.491 nan 8.280 nan 0.000 0.470 1109 I N 2.871 123.551 120.570 0.184 0.000 2.353 1109 I HA 0.438 4.616 4.170 0.013 0.000 0.293 1109 I C -0.359 175.803 176.117 0.076 0.000 0.992 1109 I CA -0.649 60.649 61.300 -0.003 0.000 1.268 1109 I CB 1.515 39.384 38.000 -0.218 0.000 1.387 1109 I HN 0.613 nan 8.210 nan 0.000 0.478 1110 K N 6.109 126.488 120.400 -0.035 0.000 2.482 1110 K HA 0.387 4.715 4.320 0.013 0.000 0.251 1110 K C -1.275 175.282 176.600 -0.073 0.000 0.936 1110 K CA -0.946 55.333 56.287 -0.013 0.000 0.791 1110 K CB 2.070 34.607 32.500 0.063 0.000 1.213 1110 K HN 0.451 nan 8.250 nan 0.000 0.428 1111 L N 4.053 125.212 121.223 -0.106 0.000 2.534 1111 L HA 0.132 4.480 4.340 0.013 0.000 0.271 1111 L C -0.086 176.785 176.870 0.001 0.000 1.178 1111 L CA 0.692 55.501 54.840 -0.052 0.000 0.907 1111 L CB 0.178 42.218 42.059 -0.031 0.000 1.164 1111 L HN 0.576 nan 8.230 nan 0.000 0.482 1112 K N 4.405 124.829 120.400 0.041 0.000 2.401 1112 K HA -0.031 4.298 4.320 0.013 0.000 0.278 1112 K C 1.125 177.755 176.600 0.050 0.000 1.018 1112 K CA 0.224 56.539 56.287 0.047 0.000 0.981 1112 K CB 0.741 33.299 32.500 0.096 0.000 0.933 1112 K HN 0.796 nan 8.250 nan 0.000 0.477 1113 K N 2.746 123.166 120.400 0.033 0.000 2.020 1113 K HA -0.231 4.097 4.320 0.013 0.000 0.212 1113 K C 0.763 177.394 176.600 0.052 0.000 1.050 1113 K CA 2.582 58.889 56.287 0.033 0.000 0.929 1113 K CB 0.003 32.517 32.500 0.023 0.000 0.714 1113 K HN 0.794 nan 8.250 nan 0.000 0.443 1114 D N -0.783 119.651 120.400 0.057 0.000 2.350 1114 D HA -0.015 4.633 4.640 0.013 0.000 0.213 1114 D C -0.056 176.291 176.300 0.078 0.000 1.031 1114 D CA -0.131 53.907 54.000 0.064 0.000 0.861 1114 D CB 0.401 41.233 40.800 0.053 0.000 0.926 1114 D HN 0.134 nan 8.370 nan 0.000 0.520 1115 S N -0.813 114.940 115.700 0.089 0.000 2.569 1115 S HA 0.482 4.960 4.470 0.013 0.000 0.280 1115 S C -2.663 172.001 174.600 0.108 0.000 1.111 1115 S CA -1.437 56.820 58.200 0.096 0.000 0.887 1115 S CB 2.049 65.300 63.200 0.085 0.000 1.095 1115 S HN -0.120 nan 8.310 nan 0.000 0.476 1116 P HA 0.142 nan 4.420 nan 0.000 0.261 1116 P C -0.014 177.298 177.300 0.020 0.000 1.650 1116 P CA 0.080 63.156 63.100 -0.040 0.000 0.846 1116 P CB -0.737 30.743 31.700 -0.366 0.000 1.758 1117 V N -3.792 116.199 119.914 0.129 0.000 3.074 1117 V HA 0.926 5.054 4.120 0.013 0.000 0.314 1117 V C 0.020 176.249 176.094 0.225 0.000 1.117 1117 V CA -1.154 61.268 62.300 0.203 0.000 1.014 1117 V CB 1.762 33.716 31.823 0.219 0.000 1.057 1117 V HN 0.066 nan 8.190 nan 0.000 0.438 1118 G N 1.936 110.920 108.800 0.308 0.000 2.356 1118 G HA2 0.569 4.537 3.960 0.013 0.000 0.312 1118 G HA3 0.569 4.537 3.960 0.013 0.000 0.312 1118 G C -0.221 174.772 174.900 0.156 0.000 1.096 1118 G CA -0.368 44.854 45.100 0.205 0.000 0.950 1118 G HN 1.038 nan 8.290 nan 0.000 0.428 1119 E N 2.091 122.274 120.200 -0.030 0.000 2.349 1119 E HA 0.415 4.773 4.350 0.013 0.000 0.262 1119 E C -0.541 175.913 176.600 -0.243 0.000 1.088 1119 E CA -0.796 55.431 56.400 -0.289 0.000 0.899 1119 E CB 1.511 31.040 29.700 -0.284 0.000 1.044 1119 E HN 0.107 nan 8.360 nan 0.000 0.420 1120 I N 2.850 123.234 120.570 -0.310 0.000 2.362 1120 I HA 0.300 4.479 4.170 0.013 0.000 0.289 1120 I C -0.106 175.803 176.117 -0.347 0.000 0.994 1120 I CA -0.596 60.554 61.300 -0.250 0.000 1.158 1120 I CB 0.482 38.413 38.000 -0.115 0.000 1.315 1120 I HN 0.576 nan 8.210 nan 0.000 0.451 1121 L N 4.536 125.414 121.223 -0.574 0.000 2.286 1121 L HA 0.576 4.925 4.340 0.013 0.000 0.265 1121 L C 0.359 176.901 176.870 -0.548 0.000 1.012 1121 L CA -0.826 53.642 54.840 -0.621 0.000 0.818 1121 L CB 1.914 43.479 42.059 -0.822 0.000 1.337 1121 L HN 0.421 nan 8.230 nan 0.000 0.438 1122 T N 0.737 115.146 114.554 -0.243 0.000 2.780 1122 T HA 0.309 4.667 4.350 0.013 0.000 0.294 1122 T C 0.156 174.981 174.700 0.210 0.000 0.949 1122 T CA -0.539 61.546 62.100 -0.025 0.000 1.074 1122 T CB 0.458 69.327 68.868 0.002 0.000 0.910 1122 T HN 0.371 nan 8.240 nan 0.000 0.501 1123 R N 2.217 122.903 120.500 0.311 0.000 2.640 1123 R HA 0.203 4.551 4.340 0.013 0.000 0.270 1123 R C 1.070 177.487 176.300 0.194 0.000 1.024 1123 R CA -0.242 56.063 56.100 0.343 0.000 1.085 1123 R CB 0.278 30.713 30.300 0.225 0.000 0.963 1123 R HN 0.784 nan 8.270 nan 0.000 0.426 1124 S N 2.310 118.094 115.700 0.139 0.000 2.617 1124 S HA 0.255 4.733 4.470 0.013 0.000 0.259 1124 S C -0.047 174.597 174.600 0.074 0.000 1.301 1124 S CA -0.616 57.635 58.200 0.085 0.000 0.984 1124 S CB 0.921 64.152 63.200 0.053 0.000 0.954 1124 S HN 0.667 nan 8.310 nan 0.000 0.572 1125 K N -0.821 119.598 120.400 0.031 0.000 2.466 1125 K HA 0.387 4.715 4.320 0.013 0.000 0.260 1125 K C -1.227 175.306 176.600 -0.112 0.000 1.011 1125 K CA -1.085 55.193 56.287 -0.015 0.000 0.871 1125 K CB 0.536 33.032 32.500 -0.005 0.000 1.404 1125 K HN 0.554 nan 8.250 nan 0.000 0.450 1126 Y N 1.976 121.971 120.300 -0.507 0.000 2.881 1126 Y HA -0.095 4.463 4.550 0.014 0.000 0.335 1126 Y C 0.042 175.815 175.900 -0.212 0.000 1.263 1126 Y CA 0.728 58.497 58.100 -0.552 0.000 1.572 1126 Y CB 0.225 38.176 38.460 -0.849 0.000 1.237 1126 Y HN 0.646 nan 8.280 nan 0.000 0.568 1127 N N 3.809 122.131 118.700 -0.630 0.000 2.348 1127 N HA -0.001 4.747 4.740 0.013 0.000 0.183 1127 N C 0.015 175.141 175.510 -0.640 0.000 1.094 1127 N CA 0.221 52.974 53.050 -0.494 0.000 0.885 1127 N CB 0.155 38.497 38.487 -0.241 0.000 1.065 1127 N HN 0.740 nan 8.380 nan 0.000 0.472 1128 Q N 1.132 120.305 119.800 -1.044 0.000 2.722 1128 Q HA 0.036 4.384 4.340 0.013 0.000 0.214 1128 Q C 0.671 176.414 176.000 -0.429 0.000 1.109 1128 Q CA 0.230 55.665 55.803 -0.612 0.000 1.066 1128 Q CB 0.275 28.822 28.738 -0.319 0.000 1.290 1128 Q HN 0.278 nan 8.270 nan 0.000 0.620 1129 N N -1.064 117.586 118.700 -0.085 0.000 2.251 1129 N HA 0.015 4.763 4.740 0.013 0.000 0.217 1129 N C -0.423 175.165 175.510 0.129 0.000 1.124 1129 N CA -0.126 52.935 53.050 0.019 0.000 0.843 1129 N CB 0.545 39.029 38.487 -0.005 0.000 1.024 1129 N HN 0.217 nan 8.380 nan 0.000 0.501 1130 S N 0.833 116.706 115.700 0.288 0.000 2.560 1130 S HA 0.026 4.504 4.470 0.013 0.000 0.284 1130 S C 1.272 175.942 174.600 0.118 0.000 1.327 1130 S CA -0.425 57.904 58.200 0.215 0.000 1.055 1130 S CB 0.624 63.960 63.200 0.225 0.000 0.868 1130 S HN 0.559 nan 8.310 nan 0.000 0.506 1131 K N 3.362 123.734 120.400 -0.047 0.000 2.361 1131 K HA 0.003 4.331 4.320 0.013 0.000 0.196 1131 K C 0.858 177.322 176.600 -0.227 0.000 1.039 1131 K CA 0.922 57.102 56.287 -0.177 0.000 1.001 1131 K CB -0.241 32.064 32.500 -0.326 0.000 0.795 1131 K HN 0.706 nan 8.250 nan 0.000 0.495 1132 Y N 2.407 122.665 120.300 -0.070 0.000 2.457 1132 Y HA 0.174 4.732 4.550 0.014 0.000 0.292 1132 Y C 1.288 177.068 175.900 -0.200 0.000 1.125 1132 Y CA -0.190 57.837 58.100 -0.121 0.000 1.254 1132 Y CB 0.039 38.414 38.460 -0.142 0.000 1.012 1132 Y HN 0.114 nan 8.280 nan 0.000 0.555 1133 I N -2.070 118.420 120.570 -0.134 0.000 2.934 1133 I HA 0.515 4.694 4.170 0.013 0.000 0.306 1133 I C -0.891 175.074 176.117 -0.252 0.000 1.110 1133 I CA -1.167 59.958 61.300 -0.292 0.000 1.019 1133 I CB 2.487 40.091 38.000 -0.659 0.000 1.227 1133 I HN -0.087 nan 8.210 nan 0.000 0.434 1134 N N 2.913 121.569 118.700 -0.073 0.000 2.555 1134 N HA 0.473 5.221 4.740 0.013 0.000 0.265 1134 N C -2.166 173.465 175.510 0.201 0.000 1.135 1134 N CA -0.225 52.833 53.050 0.013 0.000 0.925 1134 N CB 2.888 41.423 38.487 0.081 0.000 1.662 1134 N HN 0.856 nan 8.380 nan 0.000 0.489 1135 Y N -0.622 119.818 120.300 0.233 0.000 2.732 1135 Y HA 0.553 5.111 4.550 0.014 0.000 0.342 1135 Y C -1.758 174.299 175.900 0.260 0.000 1.203 1135 Y CA -1.115 57.153 58.100 0.280 0.000 1.092 1135 Y CB 0.540 39.229 38.460 0.382 0.000 1.345 1135 Y HN 0.284 nan 8.280 nan 0.000 0.458 1136 R N 1.576 122.347 120.500 0.452 0.000 2.474 1136 R HA 0.312 4.660 4.340 0.013 0.000 0.295 1136 R C -1.180 175.370 176.300 0.416 0.000 0.980 1136 R CA -0.843 55.441 56.100 0.307 0.000 0.934 1136 R CB 1.158 31.587 30.300 0.214 0.000 1.101 1136 R HN 0.791 nan 8.270 nan 0.000 0.469 1137 D N 2.578 123.154 120.400 0.293 0.000 2.455 1137 D HA 0.005 4.653 4.640 0.013 0.000 0.241 1137 D C 1.215 177.486 176.300 -0.048 0.000 1.138 1137 D CA 0.261 54.383 54.000 0.203 0.000 0.877 1137 D CB 1.116 41.974 40.800 0.098 0.000 1.187 1137 D HN 0.358 nan 8.370 nan 0.000 0.451 1138 L N 1.367 122.430 121.223 -0.265 0.000 2.470 1138 L HA 0.027 4.375 4.340 0.013 0.000 0.219 1138 L C 0.378 176.933 176.870 -0.525 0.000 1.071 1138 L CA 0.197 54.722 54.840 -0.525 0.000 0.850 1138 L CB 0.088 41.557 42.059 -0.982 0.000 1.040 1138 L HN 0.321 nan 8.230 nan 0.000 0.475 1139 Y N 1.806 121.825 120.300 -0.468 0.000 2.724 1139 Y HA 0.509 5.067 4.550 0.013 0.000 0.332 1139 Y C -0.008 175.294 175.900 -0.997 0.000 1.276 1139 Y CA -0.915 56.538 58.100 -1.079 0.000 1.597 1139 Y CB -0.200 37.976 38.460 -0.474 0.000 1.584 1139 Y HN -0.017 nan 8.280 nan 0.000 0.478 1140 I N -0.143 119.929 120.570 -0.831 0.000 3.004 1140 I HA 0.788 4.966 4.170 0.013 0.000 0.305 1140 I C 0.145 176.104 176.117 -0.264 0.000 1.312 1140 I CA -0.236 60.764 61.300 -0.500 0.000 0.992 1140 I CB 2.192 39.812 38.000 -0.633 0.000 1.282 1140 I HN 0.543 nan 8.210 nan 0.000 0.449 1141 G N 4.341 113.021 108.800 -0.200 0.000 2.698 1141 G HA2 -0.111 3.857 3.960 0.013 0.000 0.225 1141 G HA3 -0.111 3.857 3.960 0.013 0.000 0.225 1141 G C -0.983 174.037 174.900 0.200 0.000 1.345 1141 G CA -0.602 44.573 45.100 0.125 0.000 0.871 1141 G HN 0.717 nan 8.290 nan 0.000 0.540 1142 E N 0.636 120.873 120.200 0.062 0.000 2.398 1142 E HA 0.253 4.611 4.350 0.013 0.000 0.263 1142 E C 0.364 176.856 176.600 -0.180 0.000 1.046 1142 E CA 0.227 56.516 56.400 -0.185 0.000 0.908 1142 E CB 0.577 29.846 29.700 -0.717 0.000 0.963 1142 E HN 0.474 nan 8.360 nan 0.000 0.431 1143 K N 2.589 122.889 120.400 -0.167 0.000 2.263 1143 K HA 0.259 4.587 4.320 0.013 0.000 0.282 1143 K C -0.423 176.107 176.600 -0.115 0.000 1.089 1143 K CA -0.204 55.976 56.287 -0.178 0.000 0.907 1143 K CB 0.269 32.723 32.500 -0.077 0.000 1.148 1143 K HN 0.215 nan 8.250 nan 0.000 0.470 1144 F N 2.363 122.358 119.950 0.075 0.000 2.368 1144 F HA 0.507 5.042 4.527 0.013 0.000 0.315 1144 F C 0.437 176.304 175.800 0.111 0.000 1.145 1144 F CA -0.892 57.191 58.000 0.138 0.000 1.095 1144 F CB 0.730 39.858 39.000 0.213 0.000 1.286 1144 F HN 0.325 nan 8.300 nan 0.000 0.530 1145 I N 1.765 122.491 120.570 0.259 0.000 2.649 1145 I HA 0.350 4.528 4.170 0.013 0.000 0.289 1145 I C -1.436 174.772 176.117 0.152 0.000 1.222 1145 I CA -0.405 60.980 61.300 0.142 0.000 1.046 1145 I CB 1.161 39.168 38.000 0.012 0.000 1.272 1145 I HN 0.375 nan 8.210 nan 0.000 0.425 1146 I N 7.299 127.951 120.570 0.136 0.000 2.352 1146 I HA 0.363 4.541 4.170 0.013 0.000 0.290 1146 I C -0.084 176.191 176.117 0.263 0.000 1.036 1146 I CA -0.557 60.812 61.300 0.114 0.000 1.336 1146 I CB 0.394 38.325 38.000 -0.116 0.000 1.407 1146 I HN 0.367 nan 8.210 nan 0.000 0.497 1147 R N 5.819 126.490 120.500 0.285 0.000 2.532 1147 R HA 0.469 4.817 4.340 0.013 0.000 0.295 1147 R C -0.253 176.161 176.300 0.190 0.000 0.968 1147 R CA -0.960 55.301 56.100 0.268 0.000 0.916 1147 R CB 1.625 32.079 30.300 0.257 0.000 1.124 1147 R HN 0.600 nan 8.270 nan 0.000 0.463 1148 R N 1.442 121.852 120.500 -0.150 0.000 2.490 1148 R HA 0.018 4.366 4.340 0.013 0.000 0.280 1148 R C 0.867 177.019 176.300 -0.247 0.000 1.077 1148 R CA -0.072 55.762 56.100 -0.443 0.000 1.065 1148 R CB 0.765 30.540 30.300 -0.875 0.000 1.003 1148 R HN 0.459 nan 8.270 nan 0.000 0.470 1149 K N 1.577 121.800 120.400 -0.295 0.000 2.029 1149 K HA 0.087 4.415 4.320 0.013 0.000 0.205 1149 K C 0.249 176.763 176.600 -0.144 0.000 1.042 1149 K CA 1.099 57.171 56.287 -0.358 0.000 0.949 1149 K CB -0.034 32.233 32.500 -0.388 0.000 0.740 1149 K HN 0.530 nan 8.250 nan 0.000 0.442 1150 S N 1.753 117.389 115.700 -0.107 0.000 2.625 1150 S HA 0.014 4.492 4.470 0.013 0.000 0.258 1150 S C -0.953 173.611 174.600 -0.061 0.000 1.256 1150 S CA -0.025 58.139 58.200 -0.060 0.000 0.983 1150 S CB -0.223 62.957 63.200 -0.033 0.000 1.032 1150 S HN 0.650 nan 8.310 nan 0.000 0.572 1151 N N 0.967 119.643 118.700 -0.038 0.000 2.661 1151 N HA -0.191 4.557 4.740 0.013 0.000 0.304 1151 N C -0.147 175.342 175.510 -0.034 0.000 1.273 1151 N CA 0.805 53.836 53.050 -0.032 0.000 0.684 1151 N CB -0.659 37.806 38.487 -0.037 0.000 1.036 1151 N HN 0.645 nan 8.380 nan 0.000 0.527 1152 S N -0.796 114.896 115.700 -0.014 0.000 3.305 1152 S HA 0.163 4.641 4.470 0.013 0.000 0.248 1152 S C 1.282 175.877 174.600 -0.009 0.000 1.288 1152 S CA 0.337 58.534 58.200 -0.005 0.000 1.249 1152 S CB -0.145 63.060 63.200 0.009 0.000 1.116 1152 S HN 0.931 nan 8.310 nan 0.000 0.465 1153 Q N 0.590 120.376 119.800 -0.023 0.000 2.259 1153 Q HA 0.552 4.900 4.340 0.013 0.000 0.228 1153 Q C 0.717 176.707 176.000 -0.017 0.000 0.909 1153 Q CA 0.215 56.007 55.803 -0.019 0.000 0.948 1153 Q CB -1.284 27.438 28.738 -0.026 0.000 1.041 1153 Q HN 0.800 nan 8.270 nan 0.000 0.445 1154 S N -0.996 114.699 115.700 -0.010 0.000 3.833 1154 S HA -0.185 4.293 4.470 0.013 0.000 0.638 1154 S C 0.326 174.922 174.600 -0.007 0.000 1.967 1154 S CA 0.366 58.565 58.200 -0.002 0.000 2.145 1154 S CB -1.232 61.969 63.200 0.002 0.000 0.329 1154 S HN 1.597 nan 8.310 nan 0.000 1.786 1155 I N -1.857 118.717 120.570 0.006 0.000 2.862 1155 I HA 0.625 4.803 4.170 0.013 0.000 0.285 1155 I C 0.419 176.548 176.117 0.021 0.000 1.339 1155 I CA -0.140 61.168 61.300 0.014 0.000 1.002 1155 I CB -0.041 37.981 38.000 0.037 0.000 1.618 1155 I HN 0.648 nan 8.210 nan 0.000 0.593 1156 N N 3.361 122.067 118.700 0.011 0.000 2.272 1156 N HA 0.183 4.931 4.740 0.013 0.000 0.195 1156 N C 0.392 175.917 175.510 0.025 0.000 1.048 1156 N CA 1.169 54.228 53.050 0.015 0.000 0.912 1156 N CB 0.003 38.494 38.487 0.007 0.000 1.096 1156 N HN 0.674 nan 8.380 nan 0.000 0.471 1157 D N -2.640 117.778 120.400 0.030 0.000 2.742 1157 D HA 0.508 5.156 4.640 0.013 0.000 0.262 1157 D C -2.149 174.193 176.300 0.070 0.000 1.240 1157 D CA -0.295 53.737 54.000 0.054 0.000 0.752 1157 D CB 2.419 43.233 40.800 0.022 0.000 1.290 1157 D HN 0.423 nan 8.370 nan 0.000 0.420 1158 D N -0.690 119.784 120.400 0.123 0.000 2.972 1158 D HA 0.280 4.928 4.640 0.013 0.000 0.294 1158 D C -1.313 175.088 176.300 0.170 0.000 1.211 1158 D CA -0.470 53.616 54.000 0.142 0.000 0.732 1158 D CB 0.945 41.834 40.800 0.148 0.000 1.257 1158 D HN 0.233 nan 8.370 nan 0.000 0.435 1159 I N 1.194 121.825 120.570 0.102 0.000 2.365 1159 I HA 0.331 4.509 4.170 0.013 0.000 0.291 1159 I C 0.059 176.186 176.117 0.017 0.000 1.004 1159 I CA -0.894 60.392 61.300 -0.023 0.000 1.311 1159 I CB 1.343 39.285 38.000 -0.096 0.000 1.401 1159 I HN 0.085 nan 8.210 nan 0.000 0.491 1160 V N 7.464 127.226 119.914 -0.253 0.000 2.408 1160 V HA 0.284 4.412 4.120 0.013 0.000 0.267 1160 V C 0.482 176.507 176.094 -0.115 0.000 1.047 1160 V CA -0.434 61.638 62.300 -0.381 0.000 0.937 1160 V CB 0.242 31.657 31.823 -0.681 0.000 0.999 1160 V HN 0.686 nan 8.190 nan 0.000 0.472 1161 R N 3.244 123.730 120.500 -0.024 0.000 2.598 1161 R HA 0.481 4.829 4.340 0.013 0.000 0.279 1161 R C -0.236 176.007 176.300 -0.094 0.000 0.984 1161 R CA -1.042 55.043 56.100 -0.026 0.000 0.999 1161 R CB 1.673 31.978 30.300 0.008 0.000 1.114 1161 R HN 0.594 nan 8.270 nan 0.000 0.493 1162 K N 2.354 122.679 120.400 -0.125 0.000 2.524 1162 K HA -0.114 4.214 4.320 0.013 0.000 0.279 1162 K C 0.027 176.521 176.600 -0.176 0.000 0.993 1162 K CA 0.566 56.753 56.287 -0.167 0.000 1.030 1162 K CB 0.269 32.661 32.500 -0.180 0.000 0.891 1162 K HN 0.608 nan 8.250 nan 0.000 0.488 1163 E N -0.208 119.851 120.200 -0.235 0.000 4.129 1163 E HA -0.185 4.173 4.350 0.013 0.000 0.354 1163 E C -0.789 175.565 176.600 -0.411 0.000 0.673 1163 E CA 0.875 57.092 56.400 -0.305 0.000 1.347 1163 E CB -1.186 28.385 29.700 -0.215 0.000 1.722 1163 E HN 0.697 nan 8.360 nan 0.000 0.410 1164 D N 0.033 120.264 120.400 -0.282 0.000 2.399 1164 D HA 0.174 4.822 4.640 0.013 0.000 0.241 1164 D C 0.085 176.178 176.300 -0.345 0.000 1.133 1164 D CA 0.344 54.219 54.000 -0.209 0.000 0.890 1164 D CB 0.199 40.996 40.800 -0.004 0.000 1.201 1164 D HN 0.001 nan 8.370 nan 0.000 0.432 1165 Y N 1.521 121.791 120.300 -0.051 0.000 2.326 1165 Y HA 0.363 4.921 4.550 0.013 0.000 0.337 1165 Y C 0.772 176.587 175.900 -0.142 0.000 1.023 1165 Y CA -0.578 57.458 58.100 -0.106 0.000 1.143 1165 Y CB 0.656 39.046 38.460 -0.117 0.000 1.183 1165 Y HN 0.194 nan 8.280 nan 0.000 0.485 1166 I N -0.991 119.555 120.570 -0.039 0.000 3.343 1166 I HA 0.612 4.790 4.170 0.013 0.000 0.315 1166 I C -1.899 174.129 176.117 -0.149 0.000 1.153 1166 I CA -1.435 59.815 61.300 -0.084 0.000 0.952 1166 I CB 2.796 40.826 38.000 0.051 0.000 1.287 1166 I HN 0.398 nan 8.210 nan 0.000 0.472 1167 Y N 1.725 122.070 120.300 0.075 0.000 2.364 1167 Y HA 0.583 5.141 4.550 0.014 0.000 0.340 1167 Y C -0.727 175.206 175.900 0.055 0.000 0.975 1167 Y CA -1.072 57.054 58.100 0.043 0.000 1.089 1167 Y CB 2.366 40.848 38.460 0.038 0.000 1.192 1167 Y HN 0.387 nan 8.280 nan 0.000 0.454 1168 L N 4.920 126.279 121.223 0.226 0.000 2.264 1168 L HA 0.482 4.830 4.340 0.013 0.000 0.287 1168 L C -1.073 175.970 176.870 0.289 0.000 1.039 1168 L CA -0.103 54.879 54.840 0.236 0.000 0.829 1168 L CB -0.180 42.004 42.059 0.208 0.000 1.211 1168 L HN 0.562 nan 8.230 nan 0.000 0.427 1169 D N 4.001 124.552 120.400 0.253 0.000 2.506 1169 D HA 0.700 5.348 4.640 0.013 0.000 0.254 1169 D C -0.835 175.590 176.300 0.208 0.000 1.089 1169 D CA 0.242 54.332 54.000 0.150 0.000 1.050 1169 D CB 1.540 42.290 40.800 -0.083 0.000 1.221 1169 D HN 0.337 nan 8.370 nan 0.000 0.589 1170 F N -1.972 117.804 119.950 -0.289 0.000 2.741 1170 F HA 0.592 5.127 4.527 0.013 0.000 0.311 1170 F C -1.924 173.511 175.800 -0.609 0.000 1.149 1170 F CA -1.410 56.261 58.000 -0.548 0.000 0.930 1170 F CB 0.532 39.071 39.000 -0.768 0.000 1.312 1170 F HN 0.018 nan 8.300 nan 0.000 0.450 1171 F N 2.015 121.867 119.950 -0.163 0.000 2.410 1171 F HA 0.416 4.951 4.527 0.013 0.000 0.349 1171 F C 0.214 175.831 175.800 -0.305 0.000 1.117 1171 F CA -0.512 57.335 58.000 -0.256 0.000 1.104 1171 F CB 1.197 40.108 39.000 -0.148 0.000 1.122 1171 F HN 0.584 nan 8.300 nan 0.000 0.483 1172 N N 5.208 123.676 118.700 -0.388 0.000 2.816 1172 N HA 0.523 5.271 4.740 0.013 0.000 0.236 1172 N C -0.005 175.320 175.510 -0.309 0.000 1.076 1172 N CA -0.010 52.715 53.050 -0.541 0.000 0.902 1172 N CB 0.115 37.729 38.487 -1.454 0.000 1.149 1172 N HN 0.729 nan 8.380 nan 0.000 0.506 1173 L N 0.720 121.858 121.223 -0.141 0.000 6.453 1173 L HA -0.433 3.915 4.340 0.013 0.000 0.053 1173 L C 0.839 177.678 176.870 -0.052 0.000 2.386 1173 L CA 1.331 56.120 54.840 -0.085 0.000 1.514 1173 L CB -1.017 40.988 42.059 -0.089 0.000 2.896 1173 L HN 0.491 nan 8.230 nan 0.000 1.076 1174 N N 0.581 119.260 118.700 -0.035 0.000 2.383 1174 N HA 0.075 4.823 4.740 0.013 0.000 0.192 1174 N C -0.368 175.170 175.510 0.047 0.000 1.141 1174 N CA 0.466 53.510 53.050 -0.010 0.000 0.851 1174 N CB 0.257 38.740 38.487 -0.008 0.000 0.976 1174 N HN 0.310 nan 8.380 nan 0.000 0.465 1175 Q N -0.330 119.508 119.800 0.063 0.000 2.387 1175 Q HA 0.271 4.619 4.340 0.013 0.000 0.273 1175 Q C -1.145 174.948 176.000 0.154 0.000 1.089 1175 Q CA -0.793 55.094 55.803 0.140 0.000 0.824 1175 Q CB 2.095 30.974 28.738 0.235 0.000 1.367 1175 Q HN 0.173 nan 8.270 nan 0.000 0.443 1176 E N 1.377 121.673 120.200 0.160 0.000 2.109 1176 E HA 0.212 4.570 4.350 0.013 0.000 0.278 1176 E C -1.333 175.271 176.600 0.006 0.000 0.954 1176 E CA -0.451 55.914 56.400 -0.058 0.000 0.779 1176 E CB 0.720 30.376 29.700 -0.073 0.000 1.093 1176 E HN 0.348 nan 8.360 nan 0.000 0.401 1177 W N 2.782 123.674 121.300 -0.680 0.000 2.481 1177 W HA 0.504 5.172 4.660 0.013 0.000 0.369 1177 W C 0.306 176.511 176.519 -0.523 0.000 1.235 1177 W CA -0.812 56.135 57.345 -0.664 0.000 1.344 1177 W CB 0.903 29.745 29.460 -1.030 0.000 1.360 1177 W HN 0.459 nan 8.180 nan 0.000 0.658 1178 R N 0.073 120.528 120.500 -0.075 0.000 2.854 1178 R HA 0.709 5.057 4.340 0.013 0.000 0.271 1178 R C -1.682 174.593 176.300 -0.042 0.000 0.994 1178 R CA -0.694 55.316 56.100 -0.149 0.000 0.945 1178 R CB 1.779 31.765 30.300 -0.523 0.000 1.194 1178 R HN 0.243 nan 8.270 nan 0.000 0.476 1179 V N 3.871 123.792 119.914 0.012 0.000 2.383 1179 V HA 0.397 4.525 4.120 0.013 0.000 0.275 1179 V C -1.013 175.134 176.094 0.089 0.000 1.036 1179 V CA -0.274 62.154 62.300 0.212 0.000 0.889 1179 V CB 0.689 32.741 31.823 0.382 0.000 0.985 1179 V HN 0.609 nan 8.190 nan 0.000 0.459 1180 Y N 1.640 122.164 120.300 0.372 0.000 2.598 1180 Y HA 0.671 5.229 4.550 0.014 0.000 0.340 1180 Y C 0.506 176.532 175.900 0.210 0.000 1.038 1180 Y CA -0.952 57.366 58.100 0.364 0.000 1.100 1180 Y CB 2.270 40.900 38.460 0.284 0.000 1.281 1180 Y HN 0.424 nan 8.280 nan 0.000 0.488 1181 T N 1.307 116.003 114.554 0.237 0.000 2.840 1181 T HA 0.160 4.518 4.350 0.013 0.000 0.287 1181 T C -1.450 173.377 174.700 0.211 0.000 0.991 1181 T CA -0.607 61.472 62.100 -0.035 0.000 0.964 1181 T CB 0.093 68.558 68.868 -0.672 0.000 0.954 1181 T HN 0.411 nan 8.240 nan 0.000 0.438 1182 Y N 3.850 124.177 120.300 0.046 0.000 2.632 1182 Y HA 0.078 4.636 4.550 0.013 0.000 0.329 1182 Y C 1.413 177.128 175.900 -0.310 0.000 1.174 1182 Y CA -0.308 57.559 58.100 -0.387 0.000 1.469 1182 Y CB 0.498 38.762 38.460 -0.325 0.000 1.242 1182 Y HN 0.619 nan 8.280 nan 0.000 0.540 1183 K N 4.237 123.963 120.400 -1.124 0.000 2.097 1183 K HA -0.180 4.148 4.320 0.013 0.000 0.206 1183 K C -0.191 175.787 176.600 -1.037 0.000 1.049 1183 K CA 1.530 57.091 56.287 -1.211 0.000 0.933 1183 K CB -0.158 31.234 32.500 -1.846 0.000 0.717 1183 K HN 0.616 nan 8.250 nan 0.000 0.442 1184 Y N 1.113 120.765 120.300 -1.080 0.000 2.883 1184 Y HA 0.179 4.737 4.550 0.014 0.000 0.385 1184 Y C -0.255 175.552 175.900 -0.154 0.000 1.067 1184 Y CA -1.563 56.186 58.100 -0.585 0.000 1.682 1184 Y CB -0.856 37.287 38.460 -0.528 0.000 1.606 1184 Y HN -0.054 nan 8.280 nan 0.000 0.508 1185 F N -1.381 118.522 119.950 -0.080 0.000 2.422 1185 F HA 0.653 5.188 4.527 0.013 0.000 0.333 1185 F C 0.416 176.252 175.800 0.060 0.000 1.095 1185 F CA -1.768 56.283 58.000 0.085 0.000 1.038 1185 F CB 1.314 40.386 39.000 0.121 0.000 1.156 1185 F HN -0.101 nan 8.300 nan 0.000 0.483 1186 K N 1.424 121.848 120.400 0.040 0.000 2.367 1186 K HA 0.195 4.523 4.320 0.013 0.000 0.195 1186 K C 0.170 176.759 176.600 -0.020 0.000 1.060 1186 K CA -0.137 56.106 56.287 -0.074 0.000 1.022 1186 K CB 0.368 32.866 32.500 -0.003 0.000 0.894 1186 K HN 0.567 nan 8.250 nan 0.000 0.540 1187 K N 1.161 121.641 120.400 0.133 0.000 2.118 1187 K HA 0.002 4.330 4.320 0.013 0.000 0.240 1187 K C 0.946 177.649 176.600 0.171 0.000 1.035 1187 K CA -0.099 56.274 56.287 0.144 0.000 0.899 1187 K CB 0.529 33.134 32.500 0.176 0.000 1.085 1187 K HN -0.144 nan 8.250 nan 0.000 0.498 1188 E N 1.002 121.270 120.200 0.114 0.000 2.150 1188 E HA -0.155 4.203 4.350 0.013 0.000 0.193 1188 E C -0.036 176.692 176.600 0.213 0.000 0.985 1188 E CA 1.316 57.786 56.400 0.117 0.000 0.814 1188 E CB 0.320 30.044 29.700 0.039 0.000 0.752 1188 E HN 0.500 nan 8.360 nan 0.000 0.466 1189 E N -0.444 119.846 120.200 0.150 0.000 2.458 1189 E HA 0.334 4.692 4.350 0.013 0.000 0.278 1189 E C -0.820 175.781 176.600 0.002 0.000 1.004 1189 E CA -0.849 55.590 56.400 0.063 0.000 0.823 1189 E CB 1.194 30.771 29.700 -0.203 0.000 1.396 1189 E HN 0.189 nan 8.360 nan 0.000 0.463 1190 E N 0.023 120.143 120.200 -0.134 0.000 2.401 1190 E HA 0.440 4.798 4.350 0.013 0.000 0.280 1190 E C -1.246 175.358 176.600 0.006 0.000 1.039 1190 E CA -1.044 55.304 56.400 -0.088 0.000 0.814 1190 E CB 1.498 30.965 29.700 -0.388 0.000 1.275 1190 E HN 0.306 nan 8.360 nan 0.000 0.448 1191 K N 1.543 121.980 120.400 0.061 0.000 2.326 1191 K HA 0.242 4.570 4.320 0.013 0.000 0.275 1191 K C -0.004 176.639 176.600 0.071 0.000 1.018 1191 K CA -0.289 56.039 56.287 0.068 0.000 0.962 1191 K CB 0.543 32.986 32.500 -0.097 0.000 0.953 1191 K HN 0.329 nan 8.250 nan 0.000 0.475 1192 L N 2.381 123.660 121.223 0.093 0.000 2.464 1192 L HA 0.185 4.533 4.340 0.013 0.000 0.264 1192 L C 0.036 177.074 176.870 0.279 0.000 1.199 1192 L CA -0.309 54.594 54.840 0.104 0.000 0.818 1192 L CB 0.129 42.145 42.059 -0.072 0.000 1.102 1192 L HN 0.494 nan 8.230 nan 0.000 0.473 1193 F N 2.947 123.007 119.950 0.183 0.000 2.361 1193 F HA 0.441 4.976 4.527 0.013 0.000 0.364 1193 F C -0.605 175.368 175.800 0.288 0.000 1.117 1193 F CA -0.596 57.518 58.000 0.189 0.000 1.071 1193 F CB 0.568 39.636 39.000 0.112 0.000 1.188 1193 F HN 0.105 nan 8.300 nan 0.000 0.464 1194 L N 6.913 128.064 121.223 -0.121 0.000 2.272 1194 L HA 0.858 5.206 4.340 0.013 0.000 0.289 1194 L C -0.156 176.643 176.870 -0.119 0.000 1.032 1194 L CA -0.574 54.370 54.840 0.173 0.000 0.810 1194 L CB 0.835 43.167 42.059 0.456 0.000 1.205 1194 L HN 0.782 nan 8.230 nan 0.000 0.422 1195 A N 4.856 127.618 122.820 -0.096 0.000 2.581 1195 A HA 0.832 5.160 4.320 0.013 0.000 0.290 1195 A C -2.914 174.123 177.584 -0.911 0.000 1.119 1195 A CA -1.319 50.264 52.037 -0.756 0.000 0.670 1195 A CB 1.434 19.997 19.000 -0.729 0.000 1.280 1195 A HN 0.399 nan 8.150 nan 0.000 0.425 1196 P HA 0.233 nan 4.420 nan 0.000 0.270 1196 P C -0.538 176.561 177.300 -0.334 0.000 1.227 1196 P CA 0.138 62.625 63.100 -1.022 0.000 0.788 1196 P CB 0.232 31.488 31.700 -0.740 0.000 0.926 1197 I N 1.108 121.566 120.570 -0.188 0.000 2.556 1197 I HA 0.178 4.356 4.170 0.013 0.000 0.284 1197 I C 0.731 176.825 176.117 -0.038 0.000 1.114 1197 I CA 1.128 62.398 61.300 -0.051 0.000 1.418 1197 I CB -0.063 37.885 38.000 -0.087 0.000 1.394 1197 I HN 0.460 nan 8.210 nan 0.000 0.552 1198 S N 3.992 119.711 115.700 0.032 0.000 2.627 1198 S HA 0.264 4.742 4.470 0.013 0.000 0.268 1198 S C -1.523 173.087 174.600 0.015 0.000 1.130 1198 S CA -1.122 57.066 58.200 -0.019 0.000 0.819 1198 S CB 1.998 65.148 63.200 -0.082 0.000 1.100 1198 S HN 0.618 nan 8.310 nan 0.000 0.465 1199 D N 1.093 121.496 120.400 0.004 0.000 2.453 1199 D HA 0.514 5.162 4.640 0.013 0.000 0.238 1199 D C -1.055 175.257 176.300 0.019 0.000 1.088 1199 D CA 0.041 54.064 54.000 0.038 0.000 0.854 1199 D CB 1.788 42.619 40.800 0.052 0.000 1.076 1199 D HN 0.534 nan 8.370 nan 0.000 0.533 1200 S N 2.947 118.660 115.700 0.021 0.000 2.472 1200 S HA 0.146 4.624 4.470 0.013 0.000 0.303 1200 S C 0.885 175.517 174.600 0.054 0.000 1.099 1200 S CA -0.621 57.607 58.200 0.048 0.000 1.077 1200 S CB 1.774 65.039 63.200 0.108 0.000 1.031 1200 S HN 0.415 nan 8.310 nan 0.000 0.487 1201 D N 2.718 123.133 120.400 0.025 0.000 2.263 1201 D HA -0.068 4.580 4.640 0.013 0.000 0.208 1201 D C 0.906 177.148 176.300 -0.097 0.000 0.971 1201 D CA 1.158 55.153 54.000 -0.009 0.000 0.867 1201 D CB 0.309 41.118 40.800 0.014 0.000 0.929 1201 D HN 0.780 nan 8.370 nan 0.000 0.492 1202 E N -1.367 118.761 120.200 -0.119 0.000 2.465 1202 E HA 0.086 4.444 4.350 0.013 0.000 0.191 1202 E C -0.430 175.677 176.600 -0.821 0.000 1.053 1202 E CA -0.086 56.082 56.400 -0.386 0.000 0.869 1202 E CB 0.410 29.954 29.700 -0.259 0.000 0.977 1202 E HN 0.142 nan 8.360 nan 0.000 0.483 1203 F N -0.416 119.346 119.950 -0.313 0.000 2.578 1203 F HA 0.330 4.865 4.527 0.013 0.000 0.311 1203 F C -0.535 175.172 175.800 -0.155 0.000 1.094 1203 F CA -1.261 56.580 58.000 -0.265 0.000 0.923 1203 F CB 1.085 39.960 39.000 -0.209 0.000 1.230 1203 F HN -0.167 nan 8.300 nan 0.000 0.450 1204 Y N 1.683 122.147 120.300 0.273 0.000 2.304 1204 Y HA 0.210 4.768 4.550 0.014 0.000 0.328 1204 Y C 0.951 177.224 175.900 0.622 0.000 1.123 1204 Y CA -0.637 57.671 58.100 0.347 0.000 1.218 1204 Y CB 0.818 39.442 38.460 0.272 0.000 1.207 1204 Y HN 0.592 nan 8.280 nan 0.000 0.495 1205 N N -1.917 117.246 118.700 0.771 0.000 2.193 1205 N HA 0.075 4.823 4.740 0.013 0.000 0.210 1205 N C -0.436 175.430 175.510 0.593 0.000 1.215 1205 N CA -0.073 53.383 53.050 0.677 0.000 0.901 1205 N CB 0.320 39.140 38.487 0.555 0.000 1.060 1205 N HN 0.318 nan 8.380 nan 0.000 0.508 1206 T N 1.569 116.433 114.554 0.516 0.000 2.767 1206 T HA 0.497 4.855 4.350 0.013 0.000 0.288 1206 T C -0.204 174.474 174.700 -0.035 0.000 0.963 1206 T CA -0.310 61.939 62.100 0.248 0.000 1.019 1206 T CB 0.983 69.960 68.868 0.181 0.000 0.923 1206 T HN 0.086 nan 8.240 nan 0.000 0.468 1207 I N 2.606 123.082 120.570 -0.156 0.000 2.603 1207 I HA 0.409 4.587 4.170 0.013 0.000 0.300 1207 I C 0.028 176.074 176.117 -0.117 0.000 1.017 1207 I CA -0.913 60.175 61.300 -0.355 0.000 1.098 1207 I CB 2.235 39.974 38.000 -0.435 0.000 1.279 1207 I HN 0.423 nan 8.210 nan 0.000 0.437 1208 Q N 5.598 125.313 119.800 -0.142 0.000 2.333 1208 Q HA 0.493 4.841 4.340 0.013 0.000 0.265 1208 Q C -1.123 174.753 176.000 -0.207 0.000 0.989 1208 Q CA -0.690 54.965 55.803 -0.247 0.000 0.842 1208 Q CB 2.161 30.719 28.738 -0.301 0.000 1.262 1208 Q HN 0.639 nan 8.270 nan 0.000 0.451 1209 I N 4.311 124.749 120.570 -0.219 0.000 2.441 1209 I HA 0.219 4.397 4.170 0.013 0.000 0.287 1209 I C -0.786 175.207 176.117 -0.207 0.000 1.049 1209 I CA -0.020 61.182 61.300 -0.164 0.000 1.381 1209 I CB 0.193 38.096 38.000 -0.161 0.000 1.409 1209 I HN 0.561 nan 8.210 nan 0.000 0.523 1210 K N 5.543 125.826 120.400 -0.196 0.000 2.395 1210 K HA 0.514 4.842 4.320 0.013 0.000 0.245 1210 K C -1.291 175.119 176.600 -0.317 0.000 1.017 1210 K CA -0.881 55.198 56.287 -0.347 0.000 0.852 1210 K CB 1.696 33.836 32.500 -0.599 0.000 1.311 1210 K HN 0.361 nan 8.250 nan 0.000 0.452 1211 E N 0.660 120.603 120.200 -0.429 0.000 2.409 1211 E HA 0.235 4.593 4.350 0.013 0.000 0.259 1211 E C -0.968 175.403 176.600 -0.382 0.000 0.932 1211 E CA -0.123 56.088 56.400 -0.315 0.000 0.809 1211 E CB 0.244 29.805 29.700 -0.232 0.000 1.341 1211 E HN 0.500 nan 8.360 nan 0.000 0.405 1212 Y N 0.938 121.107 120.300 -0.219 0.000 2.517 1212 Y HA 0.179 4.737 4.550 0.014 0.000 0.281 1212 Y C 0.796 176.429 175.900 -0.445 0.000 1.125 1212 Y CA 0.122 58.093 58.100 -0.215 0.000 1.283 1212 Y CB 0.448 38.897 38.460 -0.018 0.000 1.042 1212 Y HN 0.410 nan 8.280 nan 0.000 0.547 1213 D N 1.066 121.063 120.400 -0.672 0.000 2.351 1213 D HA -0.002 4.646 4.640 0.013 0.000 0.251 1213 D C 0.535 176.685 176.300 -0.251 0.000 1.137 1213 D CA 0.289 53.868 54.000 -0.701 0.000 0.879 1213 D CB 0.961 41.320 40.800 -0.735 0.000 1.181 1213 D HN 0.391 nan 8.370 nan 0.000 0.448 1214 E N 1.739 121.871 120.200 -0.112 0.000 2.385 1214 E HA -0.029 4.329 4.350 0.013 0.000 0.194 1214 E C 0.264 176.840 176.600 -0.041 0.000 1.013 1214 E CA 0.117 56.487 56.400 -0.050 0.000 0.866 1214 E CB 0.417 30.112 29.700 -0.008 0.000 0.832 1214 E HN 0.465 nan 8.360 nan 0.000 0.500 1215 Q N 0.802 120.577 119.800 -0.040 0.000 2.193 1215 Q HA 0.316 4.664 4.340 0.013 0.000 0.246 1215 Q C -2.398 173.563 176.000 -0.064 0.000 0.959 1215 Q CA -2.541 53.246 55.803 -0.026 0.000 0.904 1215 Q CB 0.260 29.015 28.738 0.029 0.000 1.238 1215 Q HN -0.092 nan 8.270 nan 0.000 0.469 1216 P HA 0.040 nan 4.420 nan 0.000 0.262 1216 P C -0.533 176.712 177.300 -0.091 0.000 1.182 1216 P CA 0.601 63.619 63.100 -0.137 0.000 0.761 1216 P CB 0.539 32.047 31.700 -0.320 0.000 0.795 1217 T N 2.203 116.698 114.554 -0.098 0.000 2.827 1217 T HA 0.345 4.703 4.350 0.013 0.000 0.328 1217 T C -0.743 173.976 174.700 0.031 0.000 1.598 1217 T CA -0.317 61.716 62.100 -0.111 0.000 1.043 1217 T CB 0.377 69.218 68.868 -0.044 0.000 1.447 1217 T HN 0.048 nan 8.240 nan 0.000 0.491 1218 Y N 0.982 121.279 120.300 -0.005 0.000 2.458 1218 Y HA 0.470 5.028 4.550 0.013 0.000 0.256 1218 Y C 1.563 177.478 175.900 0.024 0.000 1.159 1218 Y CA -0.725 57.367 58.100 -0.013 0.000 1.261 1218 Y CB -0.015 38.408 38.460 -0.062 0.000 1.119 1218 Y HN 0.372 nan 8.280 nan 0.000 0.524 1219 S N 0.517 116.318 115.700 0.169 0.000 2.617 1219 S HA 0.485 4.963 4.470 0.013 0.000 0.269 1219 S C 0.162 174.836 174.600 0.124 0.000 1.292 1219 S CA -0.398 57.898 58.200 0.161 0.000 1.010 1219 S CB 0.906 64.189 63.200 0.139 0.000 0.944 1219 S HN 0.439 nan 8.310 nan 0.000 0.536 1220 C N 1.649 121.048 119.300 0.166 0.000 3.241 1220 C HA 0.855 5.323 4.460 0.013 0.000 0.312 1220 C C -1.519 173.593 174.990 0.205 0.000 1.350 1220 C CA -0.994 58.102 59.018 0.131 0.000 1.415 1220 C CB 0.686 28.506 27.740 0.134 0.000 1.770 1220 C HN 0.714 nan 8.230 nan 0.000 0.466 1221 Q N 0.513 120.411 119.800 0.163 0.000 2.399 1221 Q HA 0.852 5.200 4.340 0.013 0.000 0.276 1221 Q C -1.259 174.850 176.000 0.181 0.000 1.098 1221 Q CA -0.415 55.540 55.803 0.253 0.000 0.827 1221 Q CB 1.799 30.758 28.738 0.367 0.000 1.386 1221 Q HN 0.747 nan 8.270 nan 0.000 0.443 1222 L N 1.825 123.174 121.223 0.210 0.000 2.343 1222 L HA 0.558 4.906 4.340 0.013 0.000 0.278 1222 L C -1.289 175.641 176.870 0.101 0.000 0.996 1222 L CA -0.847 54.045 54.840 0.087 0.000 0.831 1222 L CB 1.221 43.298 42.059 0.030 0.000 1.232 1222 L HN 0.380 nan 8.230 nan 0.000 0.413 1223 L N 3.024 124.269 121.223 0.037 0.000 2.317 1223 L HA 0.603 4.951 4.340 0.013 0.000 0.281 1223 L C -1.268 175.597 176.870 -0.008 0.000 1.024 1223 L CA 0.158 55.058 54.840 0.099 0.000 0.810 1223 L CB 1.342 43.485 42.059 0.140 0.000 1.240 1223 L HN 0.248 nan 8.230 nan 0.000 0.427 1224 F N 4.639 124.651 119.950 0.102 0.000 2.388 1224 F HA 0.514 5.049 4.527 0.014 0.000 0.358 1224 F C 0.236 176.015 175.800 -0.036 0.000 1.122 1224 F CA -0.344 57.684 58.000 0.047 0.000 1.056 1224 F CB 1.187 40.219 39.000 0.054 0.000 1.155 1224 F HN 0.368 nan 8.300 nan 0.000 0.461 1225 K N 2.908 123.370 120.400 0.103 0.000 2.281 1225 K HA 0.286 4.614 4.320 0.013 0.000 0.242 1225 K C 0.741 177.237 176.600 -0.174 0.000 0.971 1225 K CA -1.033 55.255 56.287 0.002 0.000 0.834 1225 K CB 2.429 34.978 32.500 0.082 0.000 1.181 1225 K HN 0.487 nan 8.250 nan 0.000 0.435 1226 K N 1.046 121.330 120.400 -0.195 0.000 2.074 1226 K HA -0.188 4.140 4.320 0.013 0.000 0.209 1226 K C -0.023 176.583 176.600 0.010 0.000 1.048 1226 K CA 2.099 58.283 56.287 -0.172 0.000 0.926 1226 K CB 0.139 32.636 32.500 -0.004 0.000 0.713 1226 K HN 0.800 nan 8.250 nan 0.000 0.444 1227 D N -3.210 117.191 120.400 0.002 0.000 2.728 1227 D HA -0.018 4.630 4.640 0.013 0.000 0.249 1227 D C -0.211 176.045 176.300 -0.074 0.000 1.225 1227 D CA -0.409 53.587 54.000 -0.008 0.000 0.748 1227 D CB 0.579 41.391 40.800 0.020 0.000 1.326 1227 D HN -0.176 nan 8.370 nan 0.000 0.426 1228 E N 0.869 120.922 120.200 -0.244 0.000 2.108 1228 E HA -0.260 4.098 4.350 0.013 0.000 0.203 1228 E C 1.487 178.034 176.600 -0.089 0.000 1.022 1228 E CA 2.643 58.804 56.400 -0.398 0.000 0.823 1228 E CB -0.019 29.254 29.700 -0.711 0.000 0.744 1228 E HN 0.572 nan 8.360 nan 0.000 0.456 1229 E N 0.560 120.721 120.200 -0.065 0.000 2.028 1229 E HA -0.072 4.286 4.350 0.013 0.000 0.191 1229 E C 1.141 177.751 176.600 0.017 0.000 0.988 1229 E CA 0.810 57.205 56.400 -0.008 0.000 0.799 1229 E CB -0.237 29.457 29.700 -0.011 0.000 0.755 1229 E HN 0.222 nan 8.360 nan 0.000 0.447 1230 S N 0.622 116.331 115.700 0.015 0.000 2.589 1230 S HA -0.045 4.433 4.470 0.013 0.000 0.256 1230 S C 0.960 175.581 174.600 0.036 0.000 1.383 1230 S CA 0.501 58.716 58.200 0.024 0.000 0.983 1230 S CB 0.737 63.951 63.200 0.023 0.000 0.908 1230 S HN 0.286 nan 8.310 nan 0.000 0.572 1231 T N -2.999 111.575 114.554 0.033 0.000 3.182 1231 T HA 0.235 4.593 4.350 0.013 0.000 0.277 1231 T C -0.400 174.321 174.700 0.035 0.000 1.013 1231 T CA -0.260 61.864 62.100 0.040 0.000 0.900 1231 T CB -0.291 68.598 68.868 0.035 0.000 1.098 1231 T HN 0.601 nan 8.240 nan 0.000 0.543 1232 D N 2.538 122.954 120.400 0.026 0.000 2.393 1232 D HA 0.162 4.810 4.640 0.013 0.000 0.232 1232 D C -0.246 176.060 176.300 0.010 0.000 1.192 1232 D CA -0.268 53.741 54.000 0.015 0.000 0.882 1232 D CB 0.529 41.333 40.800 0.008 0.000 1.038 1232 D HN 0.430 nan 8.370 nan 0.000 0.499 1233 E N 4.334 124.553 120.200 0.032 0.000 2.194 1233 E HA 0.093 4.451 4.350 0.013 0.000 0.284 1233 E C 1.061 177.696 176.600 0.059 0.000 1.035 1233 E CA -0.638 55.797 56.400 0.059 0.000 0.836 1233 E CB 1.548 31.302 29.700 0.089 0.000 1.070 1233 E HN 0.452 nan 8.360 nan 0.000 0.401 1234 I N 1.740 122.350 120.570 0.066 0.000 2.286 1234 I HA 0.054 4.232 4.170 0.013 0.000 0.245 1234 I C 1.214 177.476 176.117 0.241 0.000 1.104 1234 I CA 1.100 62.470 61.300 0.116 0.000 1.397 1234 I CB -1.335 36.713 38.000 0.081 0.000 1.072 1234 I HN 0.687 nan 8.210 nan 0.000 0.417 1235 G N 0.347 109.309 108.800 0.270 0.000 2.341 1235 G HA2 0.326 4.294 3.960 0.013 0.000 0.293 1235 G HA3 0.326 4.294 3.960 0.013 0.000 0.293 1235 G C -1.550 173.565 174.900 0.358 0.000 1.298 1235 G CA -0.869 44.417 45.100 0.309 0.000 0.868 1235 G HN 0.020 nan 8.290 nan 0.000 0.540 1236 L N 0.240 121.703 121.223 0.399 0.000 2.334 1236 L HA 0.597 4.945 4.340 0.013 0.000 0.273 1236 L C 0.396 177.497 176.870 0.385 0.000 1.013 1236 L CA -1.050 54.009 54.840 0.365 0.000 0.816 1236 L CB 1.911 44.137 42.059 0.278 0.000 1.278 1236 L HN 0.432 nan 8.230 nan 0.000 0.431 1237 I N 1.390 122.154 120.570 0.324 0.000 2.556 1237 I HA 0.335 4.513 4.170 0.013 0.000 0.284 1237 I C 0.752 177.166 176.117 0.494 0.000 1.114 1237 I CA 0.434 61.926 61.300 0.319 0.000 1.418 1237 I CB 0.827 38.910 38.000 0.140 0.000 1.394 1237 I HN 0.772 nan 8.210 nan 0.000 0.552 1238 G N 6.652 115.764 108.800 0.520 0.000 2.871 1238 G HA2 0.678 4.646 3.960 0.013 0.000 0.282 1238 G HA3 0.678 4.646 3.960 0.013 0.000 0.282 1238 G C -1.242 174.022 174.900 0.606 0.000 1.212 1238 G CA -0.542 44.849 45.100 0.484 0.000 0.812 1238 G HN 0.401 nan 8.290 nan 0.000 0.547 1239 I N 0.342 121.190 120.570 0.463 0.000 2.533 1239 I HA 0.435 4.613 4.170 0.013 0.000 0.290 1239 I C -1.137 175.213 176.117 0.388 0.000 1.056 1239 I CA -0.653 60.897 61.300 0.417 0.000 1.057 1239 I CB 2.436 40.573 38.000 0.228 0.000 1.240 1239 I HN 0.605 nan 8.210 nan 0.000 0.423 1240 H N 5.281 124.537 119.070 0.310 0.000 2.690 1240 H HA 0.510 5.074 4.556 0.013 0.000 0.368 1240 H C -0.964 174.479 175.328 0.192 0.000 1.150 1240 H CA -0.709 55.425 56.048 0.142 0.000 1.174 1240 H CB 1.983 31.762 29.762 0.029 0.000 1.684 1240 H HN 0.445 nan 8.280 nan 0.000 0.538 1241 R N 3.936 124.092 120.500 -0.573 0.000 2.265 1241 R HA 0.330 4.678 4.340 0.013 0.000 0.319 1241 R C -1.383 174.774 176.300 -0.237 0.000 1.006 1241 R CA -0.375 55.600 56.100 -0.209 0.000 0.880 1241 R CB 0.298 30.442 30.300 -0.261 0.000 1.077 1241 R HN 0.390 nan 8.270 nan 0.000 0.454 1242 F N 2.900 122.992 119.950 0.235 0.000 2.561 1242 F HA 0.310 4.845 4.527 0.013 0.000 0.321 1242 F C -0.496 175.529 175.800 0.375 0.000 1.065 1242 F CA -0.908 57.270 58.000 0.297 0.000 0.934 1242 F CB 1.124 40.273 39.000 0.248 0.000 1.215 1242 F HN 0.393 nan 8.300 nan 0.000 0.471 1243 Y N 1.901 122.406 120.300 0.342 0.000 2.320 1243 Y HA 0.493 5.051 4.550 0.013 0.000 0.334 1243 Y C -0.740 175.183 175.900 0.039 0.000 1.055 1243 Y CA -0.911 57.206 58.100 0.029 0.000 1.143 1243 Y CB 0.914 39.335 38.460 -0.064 0.000 1.193 1243 Y HN 0.605 nan 8.280 nan 0.000 0.477 1244 E N 3.523 123.342 120.200 -0.636 0.000 2.224 1244 E HA 0.357 4.715 4.350 0.013 0.000 0.265 1244 E C -1.360 174.836 176.600 -0.674 0.000 0.878 1244 E CA -0.813 55.320 56.400 -0.445 0.000 0.759 1244 E CB 1.896 31.503 29.700 -0.155 0.000 1.164 1244 E HN 0.432 nan 8.360 nan 0.000 0.414 1245 S N 2.143 117.578 115.700 -0.441 0.000 2.745 1245 S HA 0.622 5.101 4.470 0.013 0.000 0.283 1245 S C -0.367 174.168 174.600 -0.108 0.000 1.170 1245 S CA -0.463 57.561 58.200 -0.292 0.000 1.119 1245 S CB 0.681 63.765 63.200 -0.194 0.000 1.035 1245 S HN 0.643 nan 8.310 nan 0.000 0.483 1246 G N 2.548 111.311 108.800 -0.062 0.000 3.016 1246 G HA2 0.482 4.450 3.960 0.013 0.000 0.270 1246 G HA3 0.482 4.450 3.960 0.013 0.000 0.270 1246 G C 1.082 175.960 174.900 -0.037 0.000 1.352 1246 G CA -0.601 44.485 45.100 -0.023 0.000 1.060 1246 G HN 0.815 nan 8.290 nan 0.000 0.538 1247 I N -1.468 119.078 120.570 -0.039 0.000 2.264 1247 I HA -0.118 4.060 4.170 0.013 0.000 0.248 1247 I C 1.890 177.932 176.117 -0.125 0.000 1.111 1247 I CA 2.267 63.529 61.300 -0.064 0.000 1.382 1247 I CB -0.546 37.422 38.000 -0.054 0.000 1.060 1247 I HN 0.230 nan 8.210 nan 0.000 0.418 1248 V N -2.562 117.228 119.914 -0.206 0.000 3.013 1248 V HA 0.370 4.498 4.120 0.013 0.000 0.238 1248 V C 0.691 176.463 176.094 -0.536 0.000 1.161 1248 V CA -0.266 61.770 62.300 -0.441 0.000 1.170 1248 V CB -0.755 30.634 31.823 -0.723 0.000 0.917 1248 V HN 0.216 nan 8.190 nan 0.000 0.478 1249 F N 1.409 121.335 119.950 -0.040 0.000 2.450 1249 F HA 0.739 5.274 4.527 0.014 0.000 0.332 1249 F C 0.146 175.887 175.800 -0.098 0.000 1.093 1249 F CA -0.582 57.386 58.000 -0.053 0.000 1.003 1249 F CB 1.635 40.607 39.000 -0.047 0.000 1.151 1249 F HN 0.107 nan 8.300 nan 0.000 0.474 1250 E N 3.675 123.934 120.200 0.098 0.000 2.241 1250 E HA 0.460 4.818 4.350 0.013 0.000 0.263 1250 E C -1.432 175.127 176.600 -0.070 0.000 0.882 1250 E CA -0.390 55.968 56.400 -0.071 0.000 0.769 1250 E CB 1.692 31.386 29.700 -0.011 0.000 1.185 1250 E HN 0.890 nan 8.360 nan 0.000 0.415 1251 E N 2.788 122.837 120.200 -0.252 0.000 2.421 1251 E HA 0.157 4.515 4.350 0.013 0.000 0.278 1251 E C -1.589 174.872 176.600 -0.232 0.000 1.141 1251 E CA -0.824 55.495 56.400 -0.136 0.000 0.880 1251 E CB 0.399 30.097 29.700 -0.003 0.000 1.381 1251 E HN 0.319 nan 8.360 nan 0.000 0.436 1252 Y N 0.458 120.841 120.300 0.139 0.000 2.361 1252 Y HA 0.587 5.145 4.550 0.013 0.000 0.332 1252 Y C 0.179 176.147 175.900 0.115 0.000 1.101 1252 Y CA -0.407 57.797 58.100 0.174 0.000 1.137 1252 Y CB 1.924 40.482 38.460 0.164 0.000 1.207 1252 Y HN 0.244 nan 8.280 nan 0.000 0.463 1253 K N 1.722 122.325 120.400 0.338 0.000 2.498 1253 K HA 0.318 4.646 4.320 0.013 0.000 0.254 1253 K C -1.882 174.896 176.600 0.296 0.000 0.933 1253 K CA -1.000 55.409 56.287 0.203 0.000 0.806 1253 K CB 2.258 34.842 32.500 0.140 0.000 1.301 1253 K HN 0.568 nan 8.250 nan 0.000 0.432 1254 D N 0.876 121.318 120.400 0.070 0.000 2.193 1254 D HA 0.392 5.040 4.640 0.013 0.000 0.249 1254 D C -1.027 175.248 176.300 -0.043 0.000 1.034 1254 D CA 0.224 54.324 54.000 0.166 0.000 0.902 1254 D CB 0.711 41.553 40.800 0.069 0.000 1.182 1254 D HN 0.207 nan 8.370 nan 0.000 0.436 1255 Y N 0.136 120.641 120.300 0.342 0.000 2.576 1255 Y HA 0.355 4.913 4.550 0.013 0.000 0.346 1255 Y C -0.445 175.712 175.900 0.428 0.000 1.018 1255 Y CA -1.269 57.008 58.100 0.296 0.000 1.050 1255 Y CB 1.085 39.632 38.460 0.145 0.000 1.280 1255 Y HN 0.220 nan 8.280 nan 0.000 0.474 1256 F N 3.031 123.193 119.950 0.354 0.000 2.494 1256 F HA 0.418 4.953 4.527 0.013 0.000 0.369 1256 F C -0.327 175.681 175.800 0.348 0.000 1.098 1256 F CA -0.652 57.542 58.000 0.322 0.000 1.154 1256 F CB -0.594 38.533 39.000 0.212 0.000 1.103 1256 F HN 0.478 nan 8.300 nan 0.000 0.549 1257 C N 6.118 125.599 119.300 0.301 0.000 3.256 1257 C HA 0.653 5.121 4.460 0.013 0.000 0.361 1257 C C -0.205 174.854 174.990 0.116 0.000 1.665 1257 C CA -1.195 57.936 59.018 0.187 0.000 1.445 1257 C CB 1.859 29.808 27.740 0.348 0.000 2.144 1257 C HN 0.765 nan 8.230 nan 0.000 0.448 1258 I N 1.398 122.032 120.570 0.105 0.000 2.533 1258 I HA 0.614 4.792 4.170 0.013 0.000 0.290 1258 I C -0.860 175.371 176.117 0.190 0.000 1.056 1258 I CA 0.452 61.849 61.300 0.162 0.000 1.057 1258 I CB 1.596 39.610 38.000 0.022 0.000 1.240 1258 I HN 0.695 nan 8.210 nan 0.000 0.423 1259 S N 5.493 121.400 115.700 0.345 0.000 2.540 1259 S HA 0.451 4.929 4.470 0.013 0.000 0.275 1259 S C 0.211 174.988 174.600 0.294 0.000 1.123 1259 S CA -0.721 57.623 58.200 0.240 0.000 0.907 1259 S CB 2.052 65.260 63.200 0.012 0.000 1.081 1259 S HN 0.790 nan 8.310 nan 0.000 0.476 1260 K N 2.097 122.641 120.400 0.240 0.000 2.365 1260 K HA 0.001 4.329 4.320 0.013 0.000 0.197 1260 K C 1.273 177.959 176.600 0.143 0.000 1.042 1260 K CA 0.524 56.927 56.287 0.193 0.000 0.987 1260 K CB -0.041 32.545 32.500 0.143 0.000 0.779 1260 K HN 0.758 nan 8.250 nan 0.000 0.484 1261 W N 1.087 122.332 121.300 -0.091 0.000 2.342 1261 W HA -0.247 4.421 4.660 0.014 0.000 0.297 1261 W C 1.203 177.649 176.519 -0.122 0.000 1.213 1261 W CA 1.564 58.813 57.345 -0.159 0.000 1.251 1261 W CB -0.237 29.053 29.460 -0.283 0.000 1.136 1261 W HN 0.038 nan 8.180 nan 0.000 0.526 1262 Y N 0.251 120.598 120.300 0.077 0.000 2.333 1262 Y HA -0.190 4.368 4.550 0.014 0.000 0.290 1262 Y C 2.370 178.116 175.900 -0.257 0.000 1.144 1262 Y CA 1.437 59.452 58.100 -0.143 0.000 1.228 1262 Y CB -1.240 37.259 38.460 0.065 0.000 0.985 1262 Y HN -0.053 nan 8.280 nan 0.000 0.542 1263 L N 0.543 121.757 121.223 -0.015 0.000 2.081 1263 L HA -0.283 4.065 4.340 0.013 0.000 0.212 1263 L C 2.433 179.188 176.870 -0.192 0.000 1.080 1263 L CA 2.152 56.936 54.840 -0.092 0.000 0.754 1263 L CB -0.558 41.495 42.059 -0.010 0.000 0.893 1263 L HN 0.328 nan 8.230 nan 0.000 0.433 1264 K N -1.104 119.148 120.400 -0.247 0.000 2.211 1264 K HA -0.041 4.287 4.320 0.013 0.000 0.201 1264 K C 1.667 178.075 176.600 -0.320 0.000 1.052 1264 K CA 0.401 56.537 56.287 -0.252 0.000 0.973 1264 K CB -0.068 32.287 32.500 -0.241 0.000 0.766 1264 K HN 0.083 nan 8.250 nan 0.000 0.466 1265 E N 1.726 121.640 120.200 -0.478 0.000 2.110 1265 E HA -0.122 4.236 4.350 0.013 0.000 0.193 1265 E C 2.208 178.608 176.600 -0.334 0.000 0.988 1265 E CA 1.656 57.764 56.400 -0.487 0.000 0.804 1265 E CB -0.245 28.997 29.700 -0.762 0.000 0.745 1265 E HN 0.413 nan 8.360 nan 0.000 0.458 1266 V N -1.199 118.534 119.914 -0.302 0.000 3.305 1266 V HA -0.040 4.088 4.120 0.013 0.000 0.269 1266 V C 1.686 177.738 176.094 -0.069 0.000 1.157 1266 V CA 1.104 63.283 62.300 -0.202 0.000 1.157 1266 V CB -0.529 31.038 31.823 -0.427 0.000 0.772 1266 V HN 0.035 nan 8.190 nan 0.000 0.498 1267 K N 0.162 120.486 120.400 -0.126 0.000 2.314 1267 K HA 0.192 4.520 4.320 0.013 0.000 0.198 1267 K C 0.907 177.496 176.600 -0.018 0.000 1.045 1267 K CA -0.132 56.130 56.287 -0.041 0.000 0.988 1267 K CB 0.099 32.559 32.500 -0.067 0.000 0.783 1267 K HN 0.461 nan 8.250 nan 0.000 0.484 1268 R N 1.786 122.244 120.500 -0.071 0.000 2.679 1268 R HA 0.062 4.410 4.340 0.013 0.000 0.268 1268 R C -0.169 176.125 176.300 -0.009 0.000 1.044 1268 R CA 0.503 56.566 56.100 -0.061 0.000 1.105 1268 R CB 0.373 30.605 30.300 -0.113 0.000 0.989 1268 R HN -0.163 nan 8.270 nan 0.000 0.447 1269 K N 3.298 123.699 120.400 0.001 0.000 2.345 1269 K HA 0.364 4.692 4.320 0.013 0.000 0.255 1269 K C -1.989 174.618 176.600 0.011 0.000 0.934 1269 K CA -1.748 54.557 56.287 0.029 0.000 0.801 1269 K CB 1.619 34.139 32.500 0.033 0.000 1.137 1269 K HN 0.563 nan 8.250 nan 0.000 0.424 1270 P HA 0.120 nan 4.420 nan 0.000 0.274 1270 P C -0.540 176.797 177.300 0.062 0.000 1.237 1270 P CA -0.428 62.704 63.100 0.055 0.000 0.793 1270 P CB 0.431 32.160 31.700 0.048 0.000 0.977 1271 Y N 1.934 122.238 120.300 0.005 0.000 2.717 1271 Y HA -0.053 4.505 4.550 0.014 0.000 0.330 1271 Y C 0.877 176.778 175.900 0.003 0.000 1.217 1271 Y CA 0.198 58.302 58.100 0.005 0.000 1.506 1271 Y CB -0.002 38.471 38.460 0.021 0.000 1.268 1271 Y HN 0.319 nan 8.280 nan 0.000 0.561 1272 N N 6.680 124.972 118.700 -0.681 0.000 2.448 1272 N HA 0.052 4.800 4.740 0.013 0.000 0.250 1272 N C 0.433 175.698 175.510 -0.407 0.000 1.136 1272 N CA 0.236 53.034 53.050 -0.420 0.000 0.953 1272 N CB 0.126 38.410 38.487 -0.339 0.000 1.251 1272 N HN 0.915 nan 8.380 nan 0.000 0.502 1273 L N 2.236 123.402 121.223 -0.094 0.000 2.275 1273 L HA -0.061 4.287 4.340 0.013 0.000 0.215 1273 L C 1.739 178.600 176.870 -0.014 0.000 1.119 1273 L CA 0.758 55.625 54.840 0.045 0.000 0.790 1273 L CB -0.118 41.994 42.059 0.088 0.000 0.919 1273 L HN 0.318 nan 8.230 nan 0.000 0.443 1274 K N 0.451 120.821 120.400 -0.050 0.000 2.487 1274 K HA 0.158 4.486 4.320 0.013 0.000 0.192 1274 K C 0.648 177.217 176.600 -0.051 0.000 1.027 1274 K CA 0.113 56.373 56.287 -0.046 0.000 1.054 1274 K CB -0.141 32.343 32.500 -0.026 0.000 0.824 1274 K HN 0.296 nan 8.250 nan 0.000 0.510 1275 L N 0.474 121.655 121.223 -0.068 0.000 2.514 1275 L HA -0.019 4.329 4.340 0.013 0.000 0.280 1275 L C 1.718 178.538 176.870 -0.084 0.000 1.223 1275 L CA -0.010 54.826 54.840 -0.006 0.000 0.864 1275 L CB 0.449 42.470 42.059 -0.064 0.000 1.118 1275 L HN 0.185 nan 8.230 nan 0.000 0.494 1276 G N 1.018 109.836 108.800 0.029 0.000 2.776 1276 G HA2 -0.138 3.830 3.960 0.013 0.000 0.209 1276 G HA3 -0.138 3.830 3.960 0.013 0.000 0.209 1276 G C 1.118 175.704 174.900 -0.522 0.000 1.145 1276 G CA 0.530 45.537 45.100 -0.156 0.000 0.791 1276 G HN 0.888 nan 8.290 nan 0.000 0.530 1277 C N -1.199 117.682 119.300 -0.698 0.000 2.754 1277 C HA 0.371 4.839 4.460 0.013 0.000 0.276 1277 C C 0.552 175.341 174.990 -0.335 0.000 1.264 1277 C CA -1.739 56.870 59.018 -0.681 0.000 1.700 1277 C CB -1.737 25.441 27.740 -0.937 0.000 1.885 1277 C HN 0.224 nan 8.230 nan 0.000 0.607 1278 N N 0.722 119.181 118.700 -0.402 0.000 2.420 1278 N HA 0.430 5.178 4.740 0.013 0.000 0.249 1278 N C -1.114 174.172 175.510 -0.372 0.000 1.033 1278 N CA -0.186 52.751 53.050 -0.188 0.000 0.944 1278 N CB 0.572 39.028 38.487 -0.051 0.000 1.113 1278 N HN 0.570 nan 8.380 nan 0.000 0.502 1279 W N 1.010 122.299 121.300 -0.018 0.000 2.719 1279 W HA 0.484 5.152 4.660 0.013 0.000 0.352 1279 W C -0.074 176.422 176.519 -0.039 0.000 1.085 1279 W CA -0.625 56.660 57.345 -0.099 0.000 1.187 1279 W CB 1.262 30.581 29.460 -0.235 0.000 1.417 1279 W HN 0.130 nan 8.180 nan 0.000 0.557 1280 Q N 1.106 121.037 119.800 0.219 0.000 2.359 1280 Q HA 0.451 4.799 4.340 0.013 0.000 0.274 1280 Q C -1.631 174.304 176.000 -0.108 0.000 1.074 1280 Q CA -1.059 54.859 55.803 0.191 0.000 0.810 1280 Q CB 2.649 31.643 28.738 0.426 0.000 1.342 1280 Q HN 0.294 nan 8.270 nan 0.000 0.427 1281 F N 2.256 122.160 119.950 -0.077 0.000 2.404 1281 F HA 0.461 4.996 4.527 0.014 0.000 0.354 1281 F C 0.041 175.709 175.800 -0.220 0.000 1.122 1281 F CA -0.543 57.292 58.000 -0.274 0.000 1.080 1281 F CB 0.846 39.333 39.000 -0.855 0.000 1.131 1281 F HN 0.280 nan 8.300 nan 0.000 0.471 1282 I N 6.463 127.092 120.570 0.099 0.000 2.330 1282 I HA 0.308 4.486 4.170 0.013 0.000 0.286 1282 I C -2.414 174.005 176.117 0.503 0.000 1.025 1282 I CA -1.935 59.394 61.300 0.048 0.000 1.197 1282 I CB 1.078 38.909 38.000 -0.282 0.000 1.358 1282 I HN 0.275 nan 8.210 nan 0.000 0.467 1283 P HA 0.256 nan 4.420 nan 0.000 0.285 1283 P C -0.911 176.752 177.300 0.606 0.000 1.269 1283 P CA -0.852 62.586 63.100 0.564 0.000 0.844 1283 P CB 1.236 33.224 31.700 0.480 0.000 1.094 1284 K N 1.341 121.900 120.400 0.266 0.000 2.485 1284 K HA 0.111 4.439 4.320 0.013 0.000 0.277 1284 K C -0.222 176.520 176.600 0.236 0.000 0.990 1284 K CA 0.849 57.145 56.287 0.015 0.000 0.994 1284 K CB -0.170 32.216 32.500 -0.189 0.000 0.906 1284 K HN 0.586 nan 8.250 nan 0.000 0.488 1285 D N -0.024 120.545 120.400 0.282 0.000 2.990 1285 D HA 0.012 4.660 4.640 0.013 0.000 0.227 1285 D C 0.842 177.206 176.300 0.107 0.000 1.249 1285 D CA -0.446 53.609 54.000 0.090 0.000 0.891 1285 D CB 1.086 41.694 40.800 -0.320 0.000 1.647 1285 D HN 0.519 nan 8.370 nan 0.000 0.530 1286 E N 1.826 122.078 120.200 0.086 0.000 2.267 1286 E HA -0.126 4.232 4.350 0.013 0.000 0.197 1286 E C 1.393 178.116 176.600 0.205 0.000 0.998 1286 E CA 1.058 57.542 56.400 0.140 0.000 0.830 1286 E CB -0.127 29.640 29.700 0.112 0.000 0.751 1286 E HN 0.447 nan 8.360 nan 0.000 0.491 1287 G N 0.268 109.172 108.800 0.173 0.000 2.848 1287 G HA2 -0.128 3.840 3.960 0.013 0.000 0.208 1287 G HA3 -0.128 3.840 3.960 0.013 0.000 0.208 1287 G C -0.445 174.422 174.900 -0.054 0.000 1.152 1287 G CA -0.246 44.910 45.100 0.094 0.000 0.789 1287 G HN 0.320 nan 8.290 nan 0.000 0.531 1288 W N 2.114 123.305 121.300 -0.182 0.000 2.802 1288 W HA 0.465 5.133 4.660 0.013 0.000 0.331 1288 W C -0.957 175.558 176.519 -0.006 0.000 1.021 1288 W CA -0.692 56.547 57.345 -0.176 0.000 1.259 1288 W CB 1.433 30.775 29.460 -0.197 0.000 1.323 1288 W HN 0.031 nan 8.180 nan 0.000 0.432 1289 T N 2.057 116.338 114.554 -0.456 0.000 2.863 1289 T HA 0.752 5.110 4.350 0.013 0.000 0.285 1289 T C -0.492 173.969 174.700 -0.398 0.000 1.009 1289 T CA -0.486 61.503 62.100 -0.184 0.000 0.989 1289 T CB 2.925 71.731 68.868 -0.103 0.000 1.004 1289 T HN 0.553 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 4.358 4.350 0.013 0.000 0.291 1290 E CA 0.000 56.424 56.400 0.040 0.000 0.976 1290 E CB 0.000 29.789 29.700 0.148 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440