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 1f31_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 VFNNVQEXXX 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 YKIQMcKSXX 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 ENKXXXIGSA 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 0.000 177.300 177.300 -0.001 0.000 1.155 1 P CA 0.000 63.101 63.100 0.001 0.000 0.800 1 P CB 0.000 31.703 31.700 0.005 0.000 0.726 2 V N 0.584 120.501 119.914 0.005 0.000 2.459 2 V HA 0.603 4.722 4.120 -0.002 0.000 0.295 2 V C -0.486 175.605 176.094 -0.005 0.000 1.029 2 V CA -0.181 62.122 62.300 0.005 0.000 0.874 2 V CB 1.549 33.390 31.823 0.029 0.000 0.985 2 V HN 0.455 nan 8.190 nan 0.000 0.438 3 T N 6.188 120.728 114.554 -0.023 0.000 2.771 3 T HA 0.537 4.886 4.350 -0.002 0.000 0.281 3 T C -0.278 174.381 174.700 -0.068 0.000 0.982 3 T CA -0.274 61.800 62.100 -0.043 0.000 0.978 3 T CB 0.762 69.601 68.868 -0.048 0.000 0.930 3 T HN 0.303 nan 8.240 nan 0.000 0.447 4 I N 4.409 124.930 120.570 -0.081 0.000 2.306 4 I HA 0.272 4.441 4.170 -0.002 0.000 0.288 4 I C 0.382 176.375 176.117 -0.207 0.000 1.036 4 I CA -0.966 60.253 61.300 -0.136 0.000 1.221 4 I CB 0.257 38.204 38.000 -0.089 0.000 1.385 4 I HN 0.501 nan 8.210 nan 0.000 0.472 5 N N 6.046 124.586 118.700 -0.267 0.000 2.508 5 N HA 0.185 4.924 4.740 -0.002 0.000 0.264 5 N C -0.125 174.886 175.510 -0.832 0.000 1.216 5 N CA 0.055 52.868 53.050 -0.394 0.000 0.943 5 N CB 0.952 39.317 38.487 -0.203 0.000 1.113 5 N HN 0.464 nan 8.380 nan 0.000 0.447 6 N N 1.074 119.299 118.700 -0.793 0.000 2.314 6 N HA 0.583 5.322 4.740 -0.002 0.000 0.304 6 N C -0.855 174.188 175.510 -0.778 0.000 1.073 6 N CA -0.216 52.353 53.050 -0.802 0.000 0.822 6 N CB 1.539 39.827 38.487 -0.332 0.000 1.280 6 N HN 0.363 nan 8.380 nan 0.000 0.489 7 F N -1.379 118.579 119.950 0.014 0.000 2.900 7 F HA 0.435 4.961 4.527 -0.002 0.000 0.321 7 F C -1.099 174.721 175.800 0.033 0.000 1.160 7 F CA -1.262 56.774 58.000 0.059 0.000 0.890 7 F CB 0.709 39.806 39.000 0.162 0.000 1.334 7 F HN 0.134 nan 8.300 nan 0.000 0.459 8 N N -0.149 118.767 118.700 0.361 0.000 2.292 8 N HA 0.191 4.929 4.740 -0.002 0.000 0.303 8 N C -0.113 175.555 175.510 0.264 0.000 1.140 8 N CA -0.632 52.557 53.050 0.232 0.000 0.788 8 N CB 1.906 40.494 38.487 0.169 0.000 1.361 8 N HN 0.818 nan 8.380 nan 0.000 0.489 9 Y N 1.751 122.101 120.300 0.082 0.000 2.207 9 Y HA -0.084 4.465 4.550 -0.002 0.000 0.287 9 Y C 1.362 177.422 175.900 0.266 0.000 1.156 9 Y CA 1.762 59.963 58.100 0.169 0.000 1.182 9 Y CB -0.020 38.494 38.460 0.089 0.000 0.979 9 Y HN 0.502 nan 8.280 nan 0.000 0.521 10 N N 1.064 119.850 118.700 0.143 0.000 2.449 10 N HA -0.045 4.694 4.740 -0.002 0.000 0.191 10 N C -0.589 174.939 175.510 0.029 0.000 1.161 10 N CA 0.410 53.486 53.050 0.045 0.000 0.863 10 N CB -0.363 38.182 38.487 0.096 0.000 0.980 10 N HN 0.379 nan 8.380 nan 0.000 0.458 11 D N 1.330 121.776 120.400 0.076 0.000 2.362 11 D HA 0.132 4.771 4.640 -0.002 0.000 0.242 11 D C -1.956 174.334 176.300 -0.016 0.000 1.132 11 D CA -0.966 53.075 54.000 0.068 0.000 0.907 11 D CB 0.637 41.529 40.800 0.153 0.000 1.195 11 D HN 0.152 nan 8.370 nan 0.000 0.429 12 P HA 0.215 nan 4.420 nan 0.000 0.278 12 P C -0.188 177.057 177.300 -0.091 0.000 1.238 12 P CA -0.361 62.703 63.100 -0.059 0.000 0.794 12 P CB 0.815 32.495 31.700 -0.034 0.000 0.955 13 I N 2.535 123.031 120.570 -0.124 0.000 2.588 13 I HA -0.017 4.151 4.170 -0.002 0.000 0.283 13 I C 1.178 177.240 176.117 -0.092 0.000 1.119 13 I CA 0.639 61.852 61.300 -0.144 0.000 1.419 13 I CB 0.285 38.194 38.000 -0.153 0.000 1.394 13 I HN 0.456 nan 8.210 nan 0.000 0.562 14 D N 4.032 124.386 120.400 -0.077 0.000 2.520 14 D HA -0.006 4.632 4.640 -0.002 0.000 0.223 14 D C 0.272 176.551 176.300 -0.035 0.000 1.186 14 D CA -0.267 53.706 54.000 -0.044 0.000 0.821 14 D CB -0.011 40.777 40.800 -0.021 0.000 1.072 14 D HN 0.522 nan 8.370 nan 0.000 0.518 15 N N 0.439 119.111 118.700 -0.048 0.000 2.753 15 N HA -0.233 4.505 4.740 -0.002 0.000 0.251 15 N C 0.204 175.721 175.510 0.013 0.000 1.097 15 N CA 1.166 54.195 53.050 -0.035 0.000 0.786 15 N CB -1.812 36.648 38.487 -0.045 0.000 1.137 15 N HN 0.632 nan 8.380 nan 0.000 0.566 16 N N -0.287 118.439 118.700 0.043 0.000 3.046 16 N HA 0.144 4.882 4.740 -0.002 0.000 0.240 16 N C 0.280 175.888 175.510 0.164 0.000 1.017 16 N CA -0.149 52.953 53.050 0.087 0.000 1.126 16 N CB 0.398 38.912 38.487 0.046 0.000 1.642 16 N HN 0.029 nan 8.380 nan 0.000 0.548 17 N N 0.257 119.010 118.700 0.088 0.000 2.184 17 N HA 0.300 5.039 4.740 -0.002 0.000 0.206 17 N C -0.688 174.806 175.510 -0.027 0.000 1.151 17 N CA 0.236 53.302 53.050 0.027 0.000 0.878 17 N CB 1.933 40.440 38.487 0.033 0.000 1.014 17 N HN 0.281 nan 8.380 nan 0.000 0.512 18 I N 2.348 122.890 120.570 -0.048 0.000 2.503 18 I HA 0.378 4.547 4.170 -0.002 0.000 0.282 18 I C -0.394 175.608 176.117 -0.192 0.000 1.059 18 I CA -0.638 60.489 61.300 -0.288 0.000 1.081 18 I CB 1.445 39.228 38.000 -0.360 0.000 1.210 18 I HN -0.140 nan 8.210 nan 0.000 0.450 19 I N 1.927 122.385 120.570 -0.187 0.000 3.516 19 I HA 0.650 4.819 4.170 -0.002 0.000 0.302 19 I C -1.038 174.961 176.117 -0.196 0.000 1.143 19 I CA -1.111 60.085 61.300 -0.173 0.000 1.003 19 I CB 2.219 40.114 38.000 -0.175 0.000 1.347 19 I HN 0.218 nan 8.210 nan 0.000 0.486 20 M N 3.080 122.595 119.600 -0.140 0.000 2.006 20 M HA 0.436 4.914 4.480 -0.002 0.000 0.314 20 M C -0.713 175.619 176.300 0.053 0.000 0.926 20 M CA -0.317 54.953 55.300 -0.049 0.000 0.906 20 M CB 0.989 33.525 32.600 -0.106 0.000 1.422 20 M HN 0.710 nan 8.290 nan 0.000 0.397 21 M N 2.045 121.667 119.600 0.038 0.000 2.288 21 M HA 0.272 4.751 4.480 -0.002 0.000 0.334 21 M C -0.139 176.258 176.300 0.160 0.000 1.150 21 M CA 0.113 55.417 55.300 0.007 0.000 1.118 21 M CB 1.186 33.667 32.600 -0.199 0.000 1.501 21 M HN 0.624 nan 8.290 nan 0.000 0.462 22 E N 4.933 125.152 120.200 0.031 0.000 2.256 22 E HA 0.412 4.761 4.350 -0.002 0.000 0.243 22 E C -2.461 174.082 176.600 -0.096 0.000 0.925 22 E CA -2.201 54.088 56.400 -0.185 0.000 0.748 22 E CB 0.886 30.359 29.700 -0.378 0.000 1.206 22 E HN 0.376 nan 8.360 nan 0.000 0.428 23 P HA -0.072 nan 4.420 nan 0.000 0.266 23 P C -2.226 174.961 177.300 -0.188 0.000 1.186 23 P CA -0.729 62.315 63.100 -0.094 0.000 0.767 23 P CB 0.303 31.975 31.700 -0.046 0.000 0.820 24 P HA -0.175 nan 4.420 nan 0.000 0.214 24 P C 1.083 178.292 177.300 -0.153 0.000 1.163 24 P CA 1.630 64.596 63.100 -0.224 0.000 0.889 24 P CB -0.326 31.142 31.700 -0.387 0.000 0.790 25 F N -1.227 118.459 119.950 -0.440 0.000 2.722 25 F HA -0.026 4.500 4.527 -0.002 0.000 0.298 25 F C 2.063 177.732 175.800 -0.217 0.000 1.175 25 F CA -0.125 57.617 58.000 -0.430 0.000 1.462 25 F CB -0.298 38.271 39.000 -0.718 0.000 1.111 25 F HN -0.044 nan 8.300 nan 0.000 0.592 26 A N 0.398 123.220 122.820 0.004 0.000 2.119 26 A HA -0.043 4.276 4.320 -0.002 0.000 0.216 26 A C 1.527 179.105 177.584 -0.010 0.000 1.152 26 A CA 0.309 52.432 52.037 0.144 0.000 0.708 26 A CB -0.357 18.676 19.000 0.054 0.000 0.805 26 A HN 0.472 nan 8.150 nan 0.000 0.460 27 R N -2.922 117.564 120.500 -0.024 0.000 3.953 27 R HA -0.212 4.126 4.340 -0.002 0.000 0.340 27 R C 0.902 176.941 176.300 -0.435 0.000 1.195 27 R CA 0.564 56.636 56.100 -0.047 0.000 0.929 27 R CB -2.447 27.854 30.300 0.002 0.000 1.402 27 R HN 1.602 nan 8.270 nan 0.000 0.540 28 G N -0.338 108.036 108.800 -0.710 0.000 2.198 28 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.257 28 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.257 28 G C 0.210 174.695 174.900 -0.691 0.000 1.042 28 G CA 1.251 45.561 45.100 -1.317 0.000 0.791 28 G HN 0.830 nan 8.290 nan 0.000 0.502 29 T N -5.570 108.756 114.554 -0.380 0.000 2.564 29 T HA 0.853 5.202 4.350 -0.002 0.000 0.265 29 T C 1.918 176.532 174.700 -0.142 0.000 0.908 29 T CA 1.119 63.092 62.100 -0.211 0.000 1.166 29 T CB 1.247 70.038 68.868 -0.128 0.000 1.497 29 T HN 2.012 nan 8.240 nan 0.000 0.484 30 G N 1.532 110.292 108.800 -0.066 0.000 5.218 30 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.342 30 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.342 30 G C 0.307 175.186 174.900 -0.035 0.000 1.391 30 G CA 1.151 46.231 45.100 -0.032 0.000 1.096 30 G HN 0.940 nan 8.290 nan 0.000 0.831 31 R N -2.307 118.157 120.500 -0.061 0.000 2.979 31 R HA 0.457 4.796 4.340 -0.002 0.000 0.286 31 R C -1.782 174.463 176.300 -0.092 0.000 0.972 31 R CA -0.763 55.323 56.100 -0.023 0.000 0.828 31 R CB -0.538 29.730 30.300 -0.054 0.000 1.368 31 R HN 0.410 nan 8.270 nan 0.000 0.511 32 Y N -0.070 120.217 120.300 -0.021 0.000 2.457 32 Y HA 0.596 5.145 4.550 -0.002 0.000 0.333 32 Y C -0.227 175.668 175.900 -0.008 0.000 1.119 32 Y CA -0.409 57.733 58.100 0.070 0.000 1.143 32 Y CB 1.243 39.711 38.460 0.013 0.000 1.230 32 Y HN 0.299 nan 8.280 nan 0.000 0.469 33 Y N 0.464 120.866 120.300 0.169 0.000 2.376 33 Y HA 0.334 4.882 4.550 -0.002 0.000 0.340 33 Y C -0.031 175.912 175.900 0.072 0.000 0.965 33 Y CA -1.668 56.512 58.100 0.133 0.000 1.078 33 Y CB 1.653 40.213 38.460 0.166 0.000 1.193 33 Y HN 0.383 nan 8.280 nan 0.000 0.452 34 K N 2.634 123.148 120.400 0.191 0.000 2.378 34 K HA 0.591 4.909 4.320 -0.002 0.000 0.288 34 K C -0.627 175.990 176.600 0.028 0.000 1.057 34 K CA 0.012 56.305 56.287 0.009 0.000 0.971 34 K CB 0.098 32.562 32.500 -0.059 0.000 0.975 34 K HN 0.812 nan 8.250 nan 0.000 0.475 35 A N 4.270 127.001 122.820 -0.149 0.000 2.354 35 A HA 0.747 5.066 4.320 -0.002 0.000 0.321 35 A C -1.392 176.087 177.584 -0.176 0.000 1.125 35 A CA -0.767 51.281 52.037 0.020 0.000 0.799 35 A CB 0.614 19.637 19.000 0.038 0.000 1.293 35 A HN 0.597 nan 8.150 nan 0.000 0.452 36 F N 0.273 120.328 119.950 0.175 0.000 2.540 36 F HA 0.471 4.997 4.527 -0.002 0.000 0.317 36 F C 0.397 176.066 175.800 -0.219 0.000 1.104 36 F CA -0.752 57.134 58.000 -0.191 0.000 0.913 36 F CB 2.257 40.836 39.000 -0.702 0.000 1.170 36 F HN 0.533 nan 8.300 nan 0.000 0.450 37 K N 4.015 124.154 120.400 -0.434 0.000 2.219 37 K HA 0.292 4.611 4.320 -0.002 0.000 0.280 37 K C 0.897 177.407 176.600 -0.149 0.000 1.104 37 K CA -0.016 55.769 56.287 -0.837 0.000 0.925 37 K CB 0.305 32.133 32.500 -1.121 0.000 1.261 37 K HN 0.922 nan 8.250 nan 0.000 0.445 38 I N 2.872 123.379 120.570 -0.105 0.000 2.928 38 I HA -0.125 4.044 4.170 -0.002 0.000 0.266 38 I C 0.177 176.159 176.117 -0.225 0.000 1.234 38 I CA 0.990 62.253 61.300 -0.061 0.000 1.483 38 I CB 0.337 38.143 38.000 -0.323 0.000 1.097 38 I HN 0.735 nan 8.210 nan 0.000 0.455 39 T N -3.471 110.929 114.554 -0.257 0.000 2.733 39 T HA 0.192 4.541 4.350 -0.002 0.000 0.312 39 T C -1.040 173.532 174.700 -0.213 0.000 1.590 39 T CA -1.014 60.973 62.100 -0.188 0.000 1.005 39 T CB 1.064 69.854 68.868 -0.129 0.000 1.528 39 T HN -0.104 nan 8.240 nan 0.000 0.496 40 D N 1.473 121.790 120.400 -0.137 0.000 2.472 40 D HA 0.188 4.826 4.640 -0.002 0.000 0.237 40 D C 0.955 177.193 176.300 -0.104 0.000 1.141 40 D CA 0.314 54.242 54.000 -0.119 0.000 0.875 40 D CB 0.369 41.134 40.800 -0.059 0.000 1.192 40 D HN 0.643 nan 8.370 nan 0.000 0.450 41 R N 0.087 120.545 120.500 -0.071 0.000 4.010 41 R HA -0.215 4.123 4.340 -0.002 0.000 0.409 41 R C -0.173 176.146 176.300 0.032 0.000 1.120 41 R CA 0.822 56.952 56.100 0.050 0.000 1.244 41 R CB -2.028 28.312 30.300 0.068 0.000 1.799 41 R HN 0.569 nan 8.270 nan 0.000 0.559 42 I N 0.246 120.712 120.570 -0.174 0.000 2.389 42 I HA 0.314 4.482 4.170 -0.002 0.000 0.288 42 I C -0.197 175.722 176.117 -0.330 0.000 0.999 42 I CA -0.627 60.611 61.300 -0.103 0.000 1.129 42 I CB 1.125 39.102 38.000 -0.038 0.000 1.288 42 I HN -0.118 nan 8.210 nan 0.000 0.444 43 W N 6.722 128.043 121.300 0.034 0.000 2.627 43 W HA 0.594 5.253 4.660 -0.002 0.000 0.339 43 W C -0.607 175.939 176.519 0.045 0.000 1.058 43 W CA -0.590 56.771 57.345 0.027 0.000 1.223 43 W CB 1.370 30.825 29.460 -0.009 0.000 1.389 43 W HN 0.064 nan 8.180 nan 0.000 0.541 44 I N 4.333 125.093 120.570 0.317 0.000 2.389 44 I HA 0.339 4.507 4.170 -0.002 0.000 0.288 44 I C -0.511 175.811 176.117 0.341 0.000 0.999 44 I CA -1.194 60.282 61.300 0.294 0.000 1.129 44 I CB 1.127 39.285 38.000 0.263 0.000 1.288 44 I HN 0.390 nan 8.210 nan 0.000 0.444 45 I N 8.494 129.166 120.570 0.171 0.000 2.460 45 I HA 0.205 4.374 4.170 -0.002 0.000 0.277 45 I C -1.858 174.361 176.117 0.171 0.000 1.057 45 I CA -1.548 59.828 61.300 0.126 0.000 1.179 45 I CB 1.623 39.433 38.000 -0.316 0.000 1.329 45 I HN 0.244 nan 8.210 nan 0.000 0.478 46 P HA 0.076 nan 4.420 nan 0.000 0.235 46 P C -0.436 176.764 177.300 -0.168 0.000 1.670 46 P CA 0.639 63.682 63.100 -0.095 0.000 1.017 46 P CB -0.033 31.692 31.700 0.042 0.000 1.945 47 E N 0.681 120.860 120.200 -0.035 0.000 2.413 47 E HA 0.337 4.686 4.350 -0.002 0.000 0.277 47 E C -0.188 176.508 176.600 0.159 0.000 0.958 47 E CA -1.142 55.303 56.400 0.076 0.000 0.779 47 E CB 1.686 31.572 29.700 0.310 0.000 1.278 47 E HN 0.069 nan 8.360 nan 0.000 0.456 48 R N 0.920 121.493 120.500 0.122 0.000 2.698 48 R HA 0.002 4.341 4.340 -0.002 0.000 0.266 48 R C -0.496 175.958 176.300 0.257 0.000 1.026 48 R CA 0.274 56.489 56.100 0.192 0.000 1.102 48 R CB -0.145 30.215 30.300 0.099 0.000 0.978 48 R HN 0.517 nan 8.270 nan 0.000 0.436 49 Y N 1.332 121.731 120.300 0.164 0.000 2.404 49 Y HA 0.036 4.584 4.550 -0.002 0.000 0.344 49 Y C 1.001 176.999 175.900 0.163 0.000 0.995 49 Y CA 0.364 58.515 58.100 0.085 0.000 1.201 49 Y CB 0.771 39.276 38.460 0.074 0.000 1.151 49 Y HN 0.660 nan 8.280 nan 0.000 0.517 50 T N 1.516 115.979 114.554 -0.152 0.000 3.040 50 T HA 0.237 4.586 4.350 -0.002 0.000 0.266 50 T C -0.126 174.544 174.700 -0.051 0.000 1.005 50 T CA -0.265 61.876 62.100 0.067 0.000 0.906 50 T CB -0.614 68.207 68.868 -0.078 0.000 1.082 50 T HN 0.328 nan 8.240 nan 0.000 0.531 51 F N 2.907 122.790 119.950 -0.112 0.000 2.506 51 F HA 0.489 5.015 4.527 -0.002 0.000 0.369 51 F C 1.732 177.595 175.800 0.107 0.000 1.114 51 F CA 0.860 58.820 58.000 -0.067 0.000 1.121 51 F CB -0.045 38.822 39.000 -0.222 0.000 1.104 51 F HN 0.378 nan 8.300 nan 0.000 0.564 52 G N 2.153 111.034 108.800 0.136 0.000 2.179 52 G HA2 -0.275 3.683 3.960 -0.002 0.000 0.220 52 G HA3 -0.275 3.683 3.960 -0.002 0.000 0.220 52 G C -0.444 174.414 174.900 -0.069 0.000 0.990 52 G CA -0.672 44.414 45.100 -0.023 0.000 0.646 52 G HN 0.529 nan 8.290 nan 0.000 0.517 53 Y N 0.839 121.294 120.300 0.258 0.000 2.409 53 Y HA 0.620 5.169 4.550 -0.002 0.000 0.339 53 Y C 0.744 176.786 175.900 0.237 0.000 1.033 53 Y CA -0.982 57.267 58.100 0.247 0.000 1.094 53 Y CB 1.307 39.851 38.460 0.139 0.000 1.210 53 Y HN -0.046 nan 8.280 nan 0.000 0.456 54 K N 4.203 124.832 120.400 0.381 0.000 2.322 54 K HA 0.131 4.450 4.320 -0.002 0.000 0.283 54 K C -1.963 174.852 176.600 0.358 0.000 1.042 54 K CA -1.439 55.013 56.287 0.276 0.000 0.958 54 K CB 0.680 33.296 32.500 0.195 0.000 0.984 54 K HN 0.354 nan 8.250 nan 0.000 0.473 55 P HA -0.308 nan 4.420 nan 0.000 0.218 55 P C 0.909 178.398 177.300 0.314 0.000 1.147 55 P CA 1.395 64.642 63.100 0.246 0.000 0.827 55 P CB 0.156 31.901 31.700 0.076 0.000 0.778 56 E N -0.845 119.501 120.200 0.243 0.000 2.158 56 E HA -0.160 4.189 4.350 -0.002 0.000 0.191 56 E C 0.996 177.732 176.600 0.227 0.000 0.982 56 E CA 0.960 57.472 56.400 0.188 0.000 0.823 56 E CB -1.033 28.730 29.700 0.105 0.000 0.766 56 E HN 0.232 nan 8.360 nan 0.000 0.468 57 D N 0.475 121.040 120.400 0.274 0.000 2.389 57 D HA -0.121 4.518 4.640 -0.002 0.000 0.221 57 D C 1.027 177.443 176.300 0.192 0.000 0.974 57 D CA 0.648 54.791 54.000 0.240 0.000 0.923 57 D CB -0.295 40.748 40.800 0.404 0.000 0.892 57 D HN 0.261 nan 8.370 nan 0.000 0.518 58 F N 0.551 120.604 119.950 0.172 0.000 2.710 58 F HA 0.043 4.569 4.527 -0.002 0.000 0.298 58 F C 1.277 177.181 175.800 0.173 0.000 1.137 58 F CA 0.107 58.203 58.000 0.160 0.000 1.444 58 F CB 0.001 39.029 39.000 0.045 0.000 1.111 58 F HN -0.209 nan 8.300 nan 0.000 0.580 59 N N 0.962 119.772 118.700 0.184 0.000 2.495 59 N HA 0.078 4.816 4.740 -0.002 0.000 0.280 59 N C -0.101 175.244 175.510 -0.275 0.000 1.168 59 N CA -0.434 52.621 53.050 0.009 0.000 0.978 59 N CB 0.915 39.402 38.487 -0.000 0.000 1.191 59 N HN 0.028 nan 8.380 nan 0.000 0.497 60 K N 0.616 120.830 120.400 -0.309 0.000 2.350 60 K HA 0.125 4.444 4.320 -0.002 0.000 0.279 60 K C -0.101 176.292 176.600 -0.345 0.000 1.027 60 K CA -0.012 55.964 56.287 -0.519 0.000 0.969 60 K CB 0.377 32.763 32.500 -0.190 0.000 0.954 60 K HN 0.763 nan 8.250 nan 0.000 0.474 61 S N 0.915 116.377 115.700 -0.395 0.000 2.840 61 S HA 0.142 4.611 4.470 -0.002 0.000 0.307 61 S C 0.629 175.126 174.600 -0.172 0.000 1.180 61 S CA -0.172 57.893 58.200 -0.226 0.000 0.846 61 S CB 0.931 64.007 63.200 -0.206 0.000 1.233 61 S HN 0.625 nan 8.310 nan 0.000 0.548 62 S N -0.464 115.165 115.700 -0.118 0.000 2.603 62 S HA 0.302 4.771 4.470 -0.002 0.000 0.229 62 S C 0.902 175.454 174.600 -0.080 0.000 0.972 62 S CA 0.262 58.414 58.200 -0.080 0.000 0.935 62 S CB -1.114 62.051 63.200 -0.059 0.000 0.769 62 S HN 1.231 nan 8.310 nan 0.000 0.536 63 G N 0.779 109.501 108.800 -0.131 0.000 2.667 63 G HA2 0.694 4.653 3.960 -0.002 0.000 0.310 63 G HA3 0.694 4.653 3.960 -0.002 0.000 0.310 63 G C -0.932 173.890 174.900 -0.130 0.000 1.259 63 G CA -0.912 44.105 45.100 -0.137 0.000 1.019 63 G HN 0.560 nan 8.290 nan 0.000 0.496 64 I N -4.208 116.283 120.570 -0.131 0.000 2.913 64 I HA 0.611 4.780 4.170 -0.002 0.000 0.302 64 I C -0.498 175.540 176.117 -0.133 0.000 1.246 64 I CA -1.096 60.186 61.300 -0.030 0.000 1.010 64 I CB 1.552 39.596 38.000 0.073 0.000 1.259 64 I HN 0.390 nan 8.210 nan 0.000 0.434 65 F N 0.540 120.525 119.950 0.058 0.000 2.222 65 F HA 0.277 4.803 4.527 -0.002 0.000 0.285 65 F C 1.340 177.134 175.800 -0.009 0.000 1.068 65 F CA 0.819 58.840 58.000 0.035 0.000 1.265 65 F CB 0.087 39.109 39.000 0.037 0.000 1.087 65 F HN 0.575 nan 8.300 nan 0.000 0.511 66 N N 0.516 119.339 118.700 0.205 0.000 2.487 66 N HA 0.164 4.903 4.740 -0.002 0.000 0.292 66 N C 0.537 176.060 175.510 0.022 0.000 1.108 66 N CA -0.181 52.917 53.050 0.080 0.000 0.956 66 N CB 1.388 39.911 38.487 0.061 0.000 1.176 66 N HN 0.098 nan 8.380 nan 0.000 0.484 67 R N 0.491 120.967 120.500 -0.039 0.000 2.276 67 R HA 0.092 4.431 4.340 -0.002 0.000 0.196 67 R C -0.244 176.122 176.300 0.111 0.000 0.961 67 R CA 0.707 56.774 56.100 -0.056 0.000 1.024 67 R CB 0.384 30.551 30.300 -0.221 0.000 0.940 67 R HN 0.542 nan 8.270 nan 0.000 0.480 68 D N 0.430 120.870 120.400 0.067 0.000 2.559 68 D HA 0.113 4.752 4.640 -0.002 0.000 0.234 68 D C -0.577 175.742 176.300 0.032 0.000 1.226 68 D CA 0.178 54.212 54.000 0.056 0.000 0.830 68 D CB 1.125 41.924 40.800 -0.000 0.000 1.028 68 D HN -0.106 nan 8.370 nan 0.000 0.492 69 V N 0.967 120.915 119.914 0.057 0.000 2.638 69 V HA 0.193 4.312 4.120 -0.002 0.000 0.306 69 V C 0.179 176.320 176.094 0.078 0.000 1.052 69 V CA -0.986 61.340 62.300 0.045 0.000 0.885 69 V CB 2.205 34.041 31.823 0.022 0.000 0.999 69 V HN 0.180 nan 8.190 nan 0.000 0.424 70 C N 3.945 123.289 119.300 0.074 0.000 2.345 70 C HA 0.283 4.742 4.460 -0.002 0.000 0.349 70 C C 0.838 175.893 174.990 0.107 0.000 1.130 70 C CA -0.736 58.342 59.018 0.100 0.000 1.574 70 C CB -1.705 26.090 27.740 0.090 0.000 2.108 70 C HN 0.819 nan 8.230 nan 0.000 0.516 71 E N 1.900 122.183 120.200 0.138 0.000 2.223 71 E HA 0.146 4.494 4.350 -0.002 0.000 0.282 71 E C -0.736 175.964 176.600 0.168 0.000 1.046 71 E CA -0.047 56.419 56.400 0.109 0.000 0.857 71 E CB 0.825 30.630 29.700 0.175 0.000 1.055 71 E HN 0.689 nan 8.360 nan 0.000 0.409 72 Y N 3.815 124.041 120.300 -0.123 0.000 2.320 72 Y HA 0.263 4.812 4.550 -0.002 0.000 0.334 72 Y C -1.306 174.399 175.900 -0.325 0.000 1.055 72 Y CA -0.645 57.394 58.100 -0.103 0.000 1.143 72 Y CB 0.511 38.876 38.460 -0.157 0.000 1.193 72 Y HN 0.396 nan 8.280 nan 0.000 0.477 73 Y N 3.205 123.029 120.300 -0.795 0.000 2.549 73 Y HA 0.477 5.026 4.550 -0.002 0.000 0.339 73 Y C -0.656 174.658 175.900 -0.976 0.000 1.053 73 Y CA -1.178 56.523 58.100 -0.664 0.000 1.105 73 Y CB 1.996 40.243 38.460 -0.355 0.000 1.258 73 Y HN 0.649 nan 8.280 nan 0.000 0.478 74 D N 1.127 121.293 120.400 -0.390 0.000 2.342 74 D HA 0.084 4.722 4.640 -0.002 0.000 0.154 74 D C -2.552 173.725 176.300 -0.039 0.000 1.159 74 D CA -0.802 53.024 54.000 -0.290 0.000 1.206 74 D CB 0.905 41.521 40.800 -0.308 0.000 1.872 74 D HN 0.181 nan 8.370 nan 0.000 0.617 75 P HA -0.013 nan 4.420 nan 0.000 0.230 75 P C 0.094 177.413 177.300 0.032 0.000 1.158 75 P CA 0.597 63.747 63.100 0.082 0.000 0.769 75 P CB 0.367 32.106 31.700 0.066 0.000 0.807 76 D N -1.491 118.936 120.400 0.045 0.000 2.328 76 D HA -0.045 4.594 4.640 -0.002 0.000 0.226 76 D C 0.369 176.730 176.300 0.102 0.000 1.066 76 D CA -0.056 53.973 54.000 0.049 0.000 0.861 76 D CB -0.408 40.420 40.800 0.047 0.000 0.912 76 D HN 0.250 nan 8.370 nan 0.000 0.521 77 Y N 1.673 121.974 120.300 0.002 0.000 2.402 77 Y HA 0.111 4.659 4.550 -0.002 0.000 0.333 77 Y C 1.136 177.028 175.900 -0.014 0.000 1.076 77 Y CA -0.300 57.818 58.100 0.029 0.000 1.299 77 Y CB 0.202 38.684 38.460 0.037 0.000 1.197 77 Y HN -0.050 nan 8.280 nan 0.000 0.517 78 L N 4.459 125.426 121.223 -0.426 0.000 3.898 78 L HA -0.358 3.981 4.340 -0.002 0.000 0.407 78 L C 0.459 177.206 176.870 -0.206 0.000 1.207 78 L CA 0.798 55.407 54.840 -0.386 0.000 0.931 78 L CB -1.459 40.328 42.059 -0.452 0.000 2.014 78 L HN 0.800 nan 8.230 nan 0.000 0.858 79 N N -0.351 118.269 118.700 -0.133 0.000 2.314 79 N HA 0.060 4.799 4.740 -0.002 0.000 0.200 79 N C 0.306 175.766 175.510 -0.084 0.000 1.135 79 N CA 0.679 53.672 53.050 -0.094 0.000 0.835 79 N CB 0.338 38.790 38.487 -0.059 0.000 0.989 79 N HN 0.574 nan 8.380 nan 0.000 0.478 80 T N -4.250 110.237 114.554 -0.111 0.000 2.853 80 T HA 0.361 4.710 4.350 -0.002 0.000 0.311 80 T C 0.214 174.833 174.700 -0.135 0.000 1.307 80 T CA -0.784 61.266 62.100 -0.083 0.000 1.019 80 T CB 1.046 69.886 68.868 -0.046 0.000 1.264 80 T HN -0.213 nan 8.240 nan 0.000 0.497 81 N N 0.687 119.345 118.700 -0.070 0.000 2.166 81 N HA -0.041 4.698 4.740 -0.002 0.000 0.186 81 N C 1.322 176.796 175.510 -0.060 0.000 1.019 81 N CA 1.409 54.421 53.050 -0.063 0.000 0.856 81 N CB -0.332 38.261 38.487 0.177 0.000 0.993 81 N HN 0.833 nan 8.380 nan 0.000 0.426 82 D N 0.188 120.577 120.400 -0.019 0.000 2.219 82 D HA -0.033 4.606 4.640 -0.002 0.000 0.205 82 D C 1.400 177.677 176.300 -0.039 0.000 0.970 82 D CA 1.014 55.012 54.000 -0.003 0.000 0.851 82 D CB 0.228 41.035 40.800 0.011 0.000 0.943 82 D HN 0.188 nan 8.370 nan 0.000 0.488 83 K N -0.171 120.175 120.400 -0.090 0.000 2.098 83 K HA 0.020 4.339 4.320 -0.002 0.000 0.203 83 K C 2.097 178.607 176.600 -0.150 0.000 1.051 83 K CA 0.588 56.804 56.287 -0.118 0.000 0.957 83 K CB 0.151 32.549 32.500 -0.170 0.000 0.738 83 K HN 0.027 nan 8.250 nan 0.000 0.447 84 K N 1.041 121.277 120.400 -0.272 0.000 2.103 84 K HA -0.157 4.162 4.320 -0.002 0.000 0.207 84 K C 1.955 178.441 176.600 -0.189 0.000 1.048 84 K CA 1.220 57.271 56.287 -0.393 0.000 0.930 84 K CB -0.165 31.725 32.500 -1.017 0.000 0.716 84 K HN 0.227 nan 8.250 nan 0.000 0.444 85 N N 1.203 119.840 118.700 -0.104 0.000 2.142 85 N HA -0.125 4.614 4.740 -0.002 0.000 0.186 85 N C 1.863 177.398 175.510 0.041 0.000 1.023 85 N CA 0.853 53.926 53.050 0.038 0.000 0.852 85 N CB 0.062 38.604 38.487 0.092 0.000 0.998 85 N HN 0.106 nan 8.380 nan 0.000 0.424 86 I N 0.349 120.938 120.570 0.032 0.000 2.226 86 I HA -0.252 3.916 4.170 -0.002 0.000 0.245 86 I C 2.173 178.329 176.117 0.065 0.000 1.100 86 I CA 0.892 62.216 61.300 0.040 0.000 1.374 86 I CB -0.395 37.625 38.000 0.032 0.000 1.057 86 I HN 0.120 nan 8.210 nan 0.000 0.413 87 F N 1.322 121.240 119.950 -0.053 0.000 2.095 87 F HA -0.258 4.268 4.527 -0.002 0.000 0.298 87 F C 2.267 178.089 175.800 0.037 0.000 1.104 87 F CA 1.656 59.654 58.000 -0.004 0.000 1.232 87 F CB -0.221 38.747 39.000 -0.054 0.000 0.987 87 F HN -0.100 nan 8.300 nan 0.000 0.475 88 L N -0.144 121.152 121.223 0.123 0.000 1.994 88 L HA -0.262 4.077 4.340 -0.002 0.000 0.208 88 L C 2.606 179.469 176.870 -0.011 0.000 1.071 88 L CA 1.327 56.186 54.840 0.031 0.000 0.745 88 L CB -0.585 41.450 42.059 -0.041 0.000 0.892 88 L HN 0.173 nan 8.230 nan 0.000 0.431 89 Q N -0.982 118.818 119.800 -0.000 0.000 2.226 89 Q HA -0.145 4.194 4.340 -0.002 0.000 0.204 89 Q C 2.064 178.056 176.000 -0.013 0.000 0.975 89 Q CA 1.800 57.599 55.803 -0.007 0.000 0.866 89 Q CB -0.739 28.003 28.738 0.007 0.000 0.915 89 Q HN 0.501 nan 8.270 nan 0.000 0.440 90 T N 1.143 115.674 114.554 -0.038 0.000 2.812 90 T HA -0.042 4.307 4.350 -0.002 0.000 0.264 90 T C 1.828 176.516 174.700 -0.019 0.000 1.042 90 T CA 0.851 62.928 62.100 -0.040 0.000 1.140 90 T CB -0.012 68.807 68.868 -0.081 0.000 0.870 90 T HN 0.109 nan 8.240 nan 0.000 0.445 91 M N 0.866 120.418 119.600 -0.080 0.000 2.108 91 M HA 0.029 4.508 4.480 -0.002 0.000 0.261 91 M C 2.280 178.681 176.300 0.169 0.000 1.066 91 M CA 1.281 56.610 55.300 0.049 0.000 1.107 91 M CB -1.256 31.340 32.600 -0.006 0.000 1.356 91 M HN 0.280 nan 8.290 nan 0.000 0.406 92 I N -0.325 120.272 120.570 0.045 0.000 2.226 92 I HA -0.323 3.846 4.170 -0.002 0.000 0.245 92 I C 2.549 178.709 176.117 0.072 0.000 1.100 92 I CA 1.273 62.577 61.300 0.007 0.000 1.374 92 I CB -0.457 37.497 38.000 -0.077 0.000 1.057 92 I HN 0.327 nan 8.210 nan 0.000 0.413 93 K N 1.184 121.627 120.400 0.071 0.000 2.097 93 K HA -0.139 4.180 4.320 -0.002 0.000 0.205 93 K C 2.144 178.826 176.600 0.137 0.000 1.050 93 K CA 1.108 57.450 56.287 0.091 0.000 0.938 93 K CB 0.030 32.590 32.500 0.099 0.000 0.718 93 K HN 0.251 nan 8.250 nan 0.000 0.442 94 L N -0.261 121.060 121.223 0.164 0.000 2.027 94 L HA -0.145 4.194 4.340 -0.002 0.000 0.206 94 L C 2.185 179.108 176.870 0.089 0.000 1.074 94 L CA 1.160 56.081 54.840 0.136 0.000 0.745 94 L CB -0.453 41.665 42.059 0.098 0.000 0.898 94 L HN 0.119 nan 8.230 nan 0.000 0.433 95 F N 0.463 120.400 119.950 -0.022 0.000 2.216 95 F HA -0.205 4.321 4.527 -0.002 0.000 0.300 95 F C 2.503 178.296 175.800 -0.012 0.000 1.085 95 F CA 1.194 59.175 58.000 -0.032 0.000 1.326 95 F CB -0.589 38.385 39.000 -0.043 0.000 1.027 95 F HN 0.159 nan 8.300 nan 0.000 0.497 96 N N 0.041 118.844 118.700 0.171 0.000 2.188 96 N HA -0.174 4.565 4.740 -0.002 0.000 0.184 96 N C 2.068 177.622 175.510 0.074 0.000 1.018 96 N CA 0.985 54.090 53.050 0.091 0.000 0.858 96 N CB -0.386 38.132 38.487 0.052 0.000 0.989 96 N HN 0.282 nan 8.380 nan 0.000 0.426 97 R N 0.943 121.487 120.500 0.073 0.000 2.092 97 R HA 0.073 4.412 4.340 -0.002 0.000 0.231 97 R C 2.191 178.571 176.300 0.133 0.000 1.119 97 R CA 0.679 56.823 56.100 0.073 0.000 0.970 97 R CB -0.118 30.215 30.300 0.054 0.000 0.864 97 R HN 0.142 nan 8.270 nan 0.000 0.440 98 I N 1.615 122.216 120.570 0.052 0.000 2.179 98 I HA -0.281 3.888 4.170 -0.002 0.000 0.242 98 I C 2.070 178.277 176.117 0.149 0.000 1.088 98 I CA 1.680 62.990 61.300 0.017 0.000 1.357 98 I CB -0.257 37.637 38.000 -0.176 0.000 1.051 98 I HN 0.260 nan 8.210 nan 0.000 0.409 99 K N 1.037 121.501 120.400 0.105 0.000 2.525 99 K HA 0.004 4.322 4.320 -0.002 0.000 0.192 99 K C 1.738 178.385 176.600 0.079 0.000 1.029 99 K CA 1.063 57.408 56.287 0.097 0.000 1.029 99 K CB -0.236 32.309 32.500 0.075 0.000 0.814 99 K HN 0.261 nan 8.250 nan 0.000 0.503 100 S N 0.284 116.038 115.700 0.090 0.000 2.507 100 S HA -0.045 4.424 4.470 -0.002 0.000 0.235 100 S C 0.273 174.845 174.600 -0.047 0.000 0.988 100 S CA 0.171 58.385 58.200 0.024 0.000 0.944 100 S CB -0.254 62.959 63.200 0.022 0.000 0.762 100 S HN 0.294 nan 8.310 nan 0.000 0.526 101 K N 0.682 121.052 120.400 -0.051 0.000 2.422 101 K HA 0.373 4.692 4.320 -0.002 0.000 0.251 101 K C -2.538 174.039 176.600 -0.038 0.000 0.933 101 K CA -2.493 53.686 56.287 -0.180 0.000 0.798 101 K CB 1.907 34.023 32.500 -0.639 0.000 1.238 101 K HN -0.237 nan 8.250 nan 0.000 0.428 102 P HA -0.251 nan 4.420 nan 0.000 0.217 102 P C 1.329 178.666 177.300 0.063 0.000 1.158 102 P CA 1.024 64.128 63.100 0.007 0.000 0.887 102 P CB 0.210 31.900 31.700 -0.017 0.000 0.792 103 L N -0.424 120.840 121.223 0.069 0.000 1.990 103 L HA -0.107 4.232 4.340 -0.002 0.000 0.213 103 L C 2.281 179.308 176.870 0.262 0.000 1.072 103 L CA 2.614 57.544 54.840 0.149 0.000 0.755 103 L CB -1.610 40.538 42.059 0.149 0.000 0.889 103 L HN -0.020 nan 8.230 nan 0.000 0.432 104 G N -1.677 107.318 108.800 0.325 0.000 2.448 104 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.218 104 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.218 104 G C 1.479 176.456 174.900 0.127 0.000 1.135 104 G CA 0.657 45.893 45.100 0.226 0.000 0.784 104 G HN 0.558 nan 8.290 nan 0.000 0.543 105 E N 0.450 120.728 120.200 0.130 0.000 2.047 105 E HA -0.094 4.254 4.350 -0.002 0.000 0.191 105 E C 2.296 178.941 176.600 0.075 0.000 0.987 105 E CA 0.838 57.287 56.400 0.081 0.000 0.799 105 E CB -0.083 29.656 29.700 0.065 0.000 0.752 105 E HN 0.280 nan 8.360 nan 0.000 0.449 106 K N 0.259 120.732 120.400 0.122 0.000 2.147 106 K HA -0.162 4.157 4.320 -0.002 0.000 0.205 106 K C 2.227 178.867 176.600 0.067 0.000 1.049 106 K CA 0.738 57.111 56.287 0.143 0.000 0.936 106 K CB -0.167 32.483 32.500 0.250 0.000 0.722 106 K HN 0.165 nan 8.250 nan 0.000 0.446 107 L N 1.584 122.838 121.223 0.051 0.000 1.976 107 L HA -0.167 4.171 4.340 -0.002 0.000 0.209 107 L C 2.015 178.755 176.870 -0.217 0.000 1.071 107 L CA 1.541 56.202 54.840 -0.298 0.000 0.746 107 L CB -0.575 41.365 42.059 -0.200 0.000 0.890 107 L HN 0.088 nan 8.230 nan 0.000 0.432 108 L N -0.557 120.610 121.223 -0.093 0.000 2.013 108 L HA -0.270 4.069 4.340 -0.002 0.000 0.212 108 L C 2.538 179.391 176.870 -0.027 0.000 1.073 108 L CA 1.819 56.635 54.840 -0.040 0.000 0.753 108 L CB -0.730 41.346 42.059 0.029 0.000 0.890 108 L HN 0.388 nan 8.230 nan 0.000 0.432 109 E N -0.597 119.593 120.200 -0.017 0.000 2.153 109 E HA -0.223 4.126 4.350 -0.002 0.000 0.194 109 E C 2.276 178.862 176.600 -0.022 0.000 0.988 109 E CA 1.045 57.440 56.400 -0.009 0.000 0.811 109 E CB -0.033 29.672 29.700 0.008 0.000 0.746 109 E HN 0.436 nan 8.360 nan 0.000 0.466 110 M N -0.080 119.482 119.600 -0.065 0.000 2.236 110 M HA -0.046 4.432 4.480 -0.002 0.000 0.266 110 M C 2.268 178.576 176.300 0.012 0.000 1.070 110 M CA 1.118 56.386 55.300 -0.053 0.000 1.137 110 M CB -0.381 32.072 32.600 -0.244 0.000 1.378 110 M HN 0.156 nan 8.290 nan 0.000 0.426 111 I N -0.131 120.408 120.570 -0.052 0.000 2.439 111 I HA -0.246 3.923 4.170 -0.002 0.000 0.251 111 I C 2.251 178.373 176.117 0.008 0.000 1.139 111 I CA 0.939 62.232 61.300 -0.012 0.000 1.438 111 I CB -0.229 37.745 38.000 -0.044 0.000 1.085 111 I HN 0.174 nan 8.210 nan 0.000 0.427 112 I N 0.788 121.357 120.570 -0.003 0.000 2.286 112 I HA -0.223 3.946 4.170 -0.002 0.000 0.245 112 I C 1.924 178.022 176.117 -0.032 0.000 1.104 112 I CA 1.179 62.474 61.300 -0.008 0.000 1.397 112 I CB -0.373 37.620 38.000 -0.012 0.000 1.072 112 I HN 0.286 nan 8.210 nan 0.000 0.417 113 N N 0.895 119.571 118.700 -0.041 0.000 2.446 113 N HA -0.010 4.729 4.740 -0.002 0.000 0.179 113 N C 1.236 176.660 175.510 -0.143 0.000 1.054 113 N CA 0.545 53.546 53.050 -0.082 0.000 0.905 113 N CB -0.021 38.429 38.487 -0.061 0.000 0.973 113 N HN 0.237 nan 8.380 nan 0.000 0.448 114 G N 2.308 111.028 108.800 -0.134 0.000 3.213 114 G HA2 0.286 4.245 3.960 -0.002 0.000 0.263 114 G HA3 0.286 4.245 3.960 -0.002 0.000 0.263 114 G C 0.534 175.285 174.900 -0.250 0.000 0.829 114 G CA -0.453 44.424 45.100 -0.372 0.000 1.983 114 G HN 0.280 nan 8.290 nan 0.000 0.616 115 I N -0.902 119.559 120.570 -0.182 0.000 2.588 115 I HA 0.358 4.527 4.170 -0.002 0.000 0.283 115 I C -2.388 173.738 176.117 0.015 0.000 1.119 115 I CA -2.251 59.000 61.300 -0.081 0.000 1.419 115 I CB 0.923 38.846 38.000 -0.128 0.000 1.394 115 I HN -0.045 nan 8.210 nan 0.000 0.562 116 P HA -0.030 nan 4.420 nan 0.000 0.265 116 P C -0.778 176.604 177.300 0.137 0.000 1.193 116 P CA 0.301 63.445 63.100 0.074 0.000 0.765 116 P CB 0.192 31.920 31.700 0.046 0.000 0.823 117 Y N 3.768 124.068 120.300 -0.000 0.000 2.546 117 Y HA -0.011 4.538 4.550 -0.002 0.000 0.351 117 Y C 0.322 176.174 175.900 -0.080 0.000 1.266 117 Y CA 0.327 58.283 58.100 -0.239 0.000 1.487 117 Y CB 0.212 38.554 38.460 -0.197 0.000 1.365 117 Y HN 0.173 nan 8.280 nan 0.000 0.642 118 L N 5.460 126.173 121.223 -0.850 0.000 2.328 118 L HA 0.457 4.796 4.340 -0.002 0.000 0.280 118 L C 0.513 177.261 176.870 -0.203 0.000 1.111 118 L CA 0.154 54.642 54.840 -0.587 0.000 0.909 118 L CB -0.806 40.647 42.059 -1.010 0.000 1.277 118 L HN 0.952 nan 8.230 nan 0.000 0.433 119 G N 2.519 111.317 108.800 -0.004 0.000 2.440 119 G HA2 0.018 3.977 3.960 -0.002 0.000 0.684 119 G HA3 0.018 3.977 3.960 -0.002 0.000 0.684 119 G C -1.515 173.300 174.900 -0.141 0.000 1.309 119 G CA -0.418 44.697 45.100 0.025 0.000 0.931 119 G HN 0.658 nan 8.290 nan 0.000 0.612 120 D N -2.090 118.046 120.400 -0.441 0.000 2.801 120 D HA 0.551 5.190 4.640 -0.002 0.000 0.277 120 D C 1.747 177.447 176.300 -1.000 0.000 1.125 120 D CA -0.083 53.224 54.000 -1.154 0.000 1.102 120 D CB 0.201 40.624 40.800 -0.628 0.000 1.400 120 D HN 0.796 nan 8.370 nan 0.000 0.601 121 R N 0.102 120.070 120.500 -0.887 0.000 2.153 121 R HA -0.216 4.123 4.340 -0.002 0.000 0.252 121 R C 1.576 177.776 176.300 -0.167 0.000 1.158 121 R CA 1.395 57.355 56.100 -0.234 0.000 0.975 121 R CB -0.632 29.602 30.300 -0.109 0.000 0.871 121 R HN 0.336 nan 8.270 nan 0.000 0.450 122 R N 1.022 121.404 120.500 -0.196 0.000 2.115 122 R HA 0.072 4.411 4.340 -0.002 0.000 0.230 122 R C 0.581 176.831 176.300 -0.083 0.000 1.111 122 R CA 0.778 56.805 56.100 -0.122 0.000 0.976 122 R CB -0.202 30.030 30.300 -0.113 0.000 0.870 122 R HN 0.015 nan 8.270 nan 0.000 0.445 123 V N 3.732 123.592 119.914 -0.091 0.000 2.599 123 V HA 0.030 4.149 4.120 -0.002 0.000 0.300 123 V C -1.906 174.188 176.094 -0.001 0.000 1.034 123 V CA -1.200 61.085 62.300 -0.026 0.000 1.115 123 V CB 0.664 32.499 31.823 0.021 0.000 0.934 123 V HN 0.048 nan 8.190 nan 0.000 0.485 124 P HA 0.094 nan 4.420 nan 0.000 0.269 124 P C 1.068 178.376 177.300 0.013 0.000 1.217 124 P CA -0.093 63.007 63.100 0.000 0.000 0.783 124 P CB 0.502 32.198 31.700 -0.006 0.000 0.898 125 L N 1.107 122.332 121.223 0.003 0.000 2.046 125 L HA -0.206 4.133 4.340 -0.002 0.000 0.208 125 L C 1.598 178.455 176.870 -0.023 0.000 1.077 125 L CA 1.804 56.645 54.840 0.002 0.000 0.747 125 L CB -0.743 41.309 42.059 -0.013 0.000 0.896 125 L HN 0.403 nan 8.230 nan 0.000 0.432 126 E N -0.311 119.866 120.200 -0.039 0.000 2.511 126 E HA 0.006 4.355 4.350 -0.002 0.000 0.196 126 E C 0.152 176.683 176.600 -0.115 0.000 1.066 126 E CA 0.330 56.687 56.400 -0.072 0.000 0.871 126 E CB -0.033 29.638 29.700 -0.048 0.000 0.863 126 E HN 0.527 nan 8.360 nan 0.000 0.520 127 E N -0.455 119.698 120.200 -0.078 0.000 2.281 127 E HA 0.513 4.862 4.350 -0.002 0.000 0.257 127 E C -0.592 175.999 176.600 -0.015 0.000 0.971 127 E CA -0.712 55.651 56.400 -0.063 0.000 0.839 127 E CB 1.489 31.193 29.700 0.007 0.000 1.238 127 E HN -0.030 nan 8.360 nan 0.000 0.412 128 F N 0.510 120.456 119.950 -0.005 0.000 2.588 128 F HA 0.397 4.923 4.527 -0.002 0.000 0.314 128 F C -0.055 175.708 175.800 -0.061 0.000 1.069 128 F CA -1.022 56.941 58.000 -0.061 0.000 0.931 128 F CB 2.245 41.172 39.000 -0.122 0.000 1.260 128 F HN 0.288 nan 8.300 nan 0.000 0.465 129 N N 0.704 119.477 118.700 0.120 0.000 2.572 129 N HA 0.094 4.833 4.740 -0.002 0.000 0.287 129 N C -0.079 175.424 175.510 -0.012 0.000 1.136 129 N CA -0.135 52.937 53.050 0.036 0.000 0.900 129 N CB 1.840 40.340 38.487 0.022 0.000 1.484 129 N HN 0.708 nan 8.380 nan 0.000 0.526 130 T N -0.439 114.119 114.554 0.007 0.000 3.081 130 T HA 0.099 4.448 4.350 -0.002 0.000 0.250 130 T C 0.677 175.411 174.700 0.055 0.000 1.100 130 T CA 0.190 62.337 62.100 0.078 0.000 1.038 130 T CB -0.173 68.822 68.868 0.211 0.000 0.962 130 T HN 0.340 nan 8.240 nan 0.000 0.516 131 N N 2.294 120.991 118.700 -0.004 0.000 3.331 131 N HA 0.336 5.075 4.740 -0.002 0.000 0.303 131 N C -0.616 174.854 175.510 -0.066 0.000 1.326 131 N CA -0.723 52.297 53.050 -0.050 0.000 1.207 131 N CB -0.646 37.800 38.487 -0.068 0.000 1.477 131 N HN 0.721 nan 8.380 nan 0.000 0.541 132 I N -3.086 117.456 120.570 -0.045 0.000 2.775 132 I HA 0.493 4.662 4.170 -0.002 0.000 0.295 132 I C 0.570 176.675 176.117 -0.020 0.000 1.287 132 I CA -1.275 59.998 61.300 -0.047 0.000 1.029 132 I CB 1.473 39.447 38.000 -0.044 0.000 1.282 132 I HN -0.109 nan 8.210 nan 0.000 0.426 133 A N 3.276 126.090 122.820 -0.011 0.000 2.285 133 A HA -0.122 4.197 4.320 -0.002 0.000 0.214 133 A C 1.852 179.448 177.584 0.020 0.000 1.188 133 A CA 1.981 54.032 52.037 0.024 0.000 0.707 133 A CB -0.771 18.265 19.000 0.060 0.000 0.771 133 A HN 0.995 nan 8.150 nan 0.000 0.488 134 S N -2.397 113.314 115.700 0.020 0.000 2.523 134 S HA 0.223 4.692 4.470 -0.002 0.000 0.217 134 S C 1.079 175.707 174.600 0.047 0.000 0.996 134 S CA 0.677 58.897 58.200 0.034 0.000 0.921 134 S CB 0.289 63.513 63.200 0.040 0.000 0.829 134 S HN 0.180 nan 8.310 nan 0.000 0.495 135 V N 0.699 120.645 119.914 0.053 0.000 3.151 135 V HA 0.301 4.420 4.120 -0.002 0.000 0.241 135 V C 0.618 176.852 176.094 0.233 0.000 1.173 135 V CA 0.811 63.158 62.300 0.079 0.000 1.154 135 V CB 0.413 32.252 31.823 0.027 0.000 0.898 135 V HN 0.465 nan 8.190 nan 0.000 0.473 136 T N 1.612 116.274 114.554 0.180 0.000 2.893 136 T HA 0.697 5.046 4.350 -0.002 0.000 0.291 136 T C -0.862 173.875 174.700 0.061 0.000 1.028 136 T CA -0.344 61.852 62.100 0.161 0.000 0.995 136 T CB 2.423 71.343 68.868 0.086 0.000 1.051 136 T HN 0.158 nan 8.240 nan 0.000 0.470 137 V N 0.400 120.325 119.914 0.018 0.000 2.876 137 V HA 0.724 4.843 4.120 -0.002 0.000 0.312 137 V C -0.862 175.213 176.094 -0.032 0.000 1.085 137 V CA -1.181 61.111 62.300 -0.014 0.000 0.945 137 V CB 2.095 33.867 31.823 -0.085 0.000 1.017 137 V HN 0.706 nan 8.190 nan 0.000 0.428 138 N N 2.617 121.333 118.700 0.027 0.000 2.456 138 N HA 0.493 5.232 4.740 -0.002 0.000 0.288 138 N C -0.623 174.911 175.510 0.040 0.000 1.059 138 N CA -0.585 52.497 53.050 0.054 0.000 0.946 138 N CB 1.986 40.582 38.487 0.181 0.000 1.150 138 N HN 0.952 nan 8.380 nan 0.000 0.479 139 K N 0.169 120.567 120.400 -0.004 0.000 2.208 139 K HA 0.597 4.915 4.320 -0.002 0.000 0.247 139 K C -0.993 175.595 176.600 -0.021 0.000 0.953 139 K CA -0.904 55.364 56.287 -0.032 0.000 0.837 139 K CB 1.733 34.154 32.500 -0.131 0.000 1.131 139 K HN 0.216 nan 8.250 nan 0.000 0.431 140 L N 3.169 124.330 121.223 -0.105 0.000 2.309 140 L HA 0.301 4.640 4.340 -0.002 0.000 0.282 140 L C -0.036 176.719 176.870 -0.191 0.000 1.036 140 L CA -0.510 54.184 54.840 -0.243 0.000 0.806 140 L CB 1.198 42.862 42.059 -0.658 0.000 1.220 140 L HN 0.840 nan 8.230 nan 0.000 0.429 141 I N 1.524 122.002 120.570 -0.153 0.000 4.181 141 I HA 0.172 4.341 4.170 -0.002 0.000 0.331 141 I C 1.224 177.270 176.117 -0.118 0.000 1.312 141 I CA 0.198 61.427 61.300 -0.117 0.000 1.146 141 I CB -0.835 37.116 38.000 -0.081 0.000 1.074 141 I HN 0.653 nan 8.210 nan 0.000 0.402 142 S N 1.776 117.391 115.700 -0.141 0.000 2.611 142 S HA 0.041 4.509 4.470 -0.002 0.000 0.252 142 S C 0.990 175.516 174.600 -0.122 0.000 1.369 142 S CA 0.798 58.925 58.200 -0.122 0.000 0.975 142 S CB 1.048 64.167 63.200 -0.137 0.000 0.937 142 S HN 0.390 nan 8.310 nan 0.000 0.584 143 N N 0.021 118.663 118.700 -0.098 0.000 3.411 143 N HA 0.280 5.019 4.740 -0.002 0.000 0.236 143 N C -2.423 173.041 175.510 -0.077 0.000 1.053 143 N CA -0.181 52.817 53.050 -0.086 0.000 1.133 143 N CB -0.362 38.086 38.487 -0.066 0.000 1.460 143 N HN 0.487 nan 8.380 nan 0.000 0.724 144 P HA 0.377 nan 4.420 nan 0.000 0.225 144 P C -0.188 177.082 177.300 -0.050 0.000 1.813 144 P CA 0.359 63.430 63.100 -0.049 0.000 1.013 144 P CB -0.009 31.669 31.700 -0.038 0.000 1.961 145 G N -0.419 108.343 108.800 -0.063 0.000 2.423 145 G HA2 0.280 4.239 3.960 -0.002 0.000 0.684 145 G HA3 0.280 4.239 3.960 -0.002 0.000 0.684 145 G C -0.484 174.360 174.900 -0.094 0.000 1.309 145 G CA -0.336 44.728 45.100 -0.059 0.000 0.950 145 G HN 0.557 nan 8.290 nan 0.000 0.587 146 E N -1.358 118.799 120.200 -0.073 0.000 3.837 146 E HA 0.986 5.335 4.350 -0.002 0.000 0.280 146 E C 2.556 179.120 176.600 -0.060 0.000 1.282 146 E CA 1.705 58.038 56.400 -0.110 0.000 1.431 146 E CB -0.676 29.044 29.700 0.034 0.000 1.509 146 E HN 2.713 nan 8.360 nan 0.000 0.728 147 V N -2.161 117.747 119.914 -0.009 0.000 0.514 147 V HA -0.290 3.829 4.120 -0.002 0.000 0.092 147 V C 1.561 177.649 176.094 -0.011 0.000 2.257 147 V CA 4.476 66.788 62.300 0.020 0.000 3.579 147 V CB -2.690 29.151 31.823 0.029 0.000 0.869 147 V HN 2.029 nan 8.190 nan 0.000 0.908 148 E N 1.667 121.846 120.200 -0.035 0.000 2.757 148 E HA 0.395 4.744 4.350 -0.002 0.000 0.238 148 E C 0.645 177.215 176.600 -0.050 0.000 1.057 148 E CA 0.597 56.974 56.400 -0.039 0.000 0.952 148 E CB -0.751 28.921 29.700 -0.047 0.000 0.934 148 E HN 2.004 nan 8.360 nan 0.000 0.518 149 R N 1.101 121.582 120.500 -0.031 0.000 1.756 149 R HA -0.141 4.198 4.340 -0.002 0.000 0.379 149 R C -0.685 175.593 176.300 -0.038 0.000 1.251 149 R CA 1.030 57.110 56.100 -0.034 0.000 1.119 149 R CB -0.788 29.485 30.300 -0.044 0.000 3.262 149 R HN 0.711 nan 8.270 nan 0.000 0.487 150 K N 2.412 122.806 120.400 -0.010 0.000 2.376 150 K HA 0.415 4.734 4.320 -0.002 0.000 0.257 150 K C -0.407 176.190 176.600 -0.004 0.000 0.939 150 K CA -1.097 55.196 56.287 0.010 0.000 0.809 150 K CB 2.130 34.676 32.500 0.078 0.000 1.121 150 K HN 0.142 nan 8.250 nan 0.000 0.425 151 K N 0.449 120.837 120.400 -0.021 0.000 2.166 151 K HA 0.549 4.868 4.320 -0.002 0.000 0.245 151 K C -0.631 175.935 176.600 -0.056 0.000 0.967 151 K CA -0.502 55.758 56.287 -0.045 0.000 0.863 151 K CB 1.818 34.283 32.500 -0.057 0.000 1.107 151 K HN 0.704 nan 8.250 nan 0.000 0.436 152 G N 2.518 111.260 108.800 -0.097 0.000 2.461 152 G HA2 0.661 4.619 3.960 -0.002 0.000 0.323 152 G HA3 0.661 4.619 3.960 -0.002 0.000 0.323 152 G C -0.892 173.877 174.900 -0.218 0.000 1.229 152 G CA -0.733 44.285 45.100 -0.137 0.000 0.941 152 G HN 0.680 nan 8.290 nan 0.000 0.477 153 I N -1.448 118.995 120.570 -0.211 0.000 3.042 153 I HA 0.728 4.897 4.170 -0.002 0.000 0.310 153 I C -1.240 174.790 176.117 -0.145 0.000 1.117 153 I CA -1.554 59.615 61.300 -0.218 0.000 1.003 153 I CB 2.464 40.418 38.000 -0.076 0.000 1.228 153 I HN 0.342 nan 8.210 nan 0.000 0.443 154 F N 2.013 122.001 119.950 0.063 0.000 2.399 154 F HA 0.833 5.359 4.527 -0.002 0.000 0.328 154 F C 0.581 176.463 175.800 0.136 0.000 1.084 154 F CA -0.698 57.345 58.000 0.072 0.000 1.053 154 F CB 1.993 41.038 39.000 0.076 0.000 1.209 154 F HN 0.750 nan 8.300 nan 0.000 0.502 155 A N 1.853 124.880 122.820 0.345 0.000 2.587 155 A HA 0.537 4.856 4.320 -0.002 0.000 0.293 155 A C -0.754 176.959 177.584 0.215 0.000 1.087 155 A CA -0.759 51.468 52.037 0.316 0.000 0.692 155 A CB 1.492 20.661 19.000 0.282 0.000 1.291 155 A HN 0.688 nan 8.150 nan 0.000 0.407 156 N N -1.022 117.800 118.700 0.202 0.000 2.317 156 N HA 0.328 5.067 4.740 -0.002 0.000 0.199 156 N C -0.802 174.795 175.510 0.145 0.000 1.145 156 N CA 0.450 53.580 53.050 0.134 0.000 0.882 156 N CB 1.093 39.633 38.487 0.089 0.000 1.113 156 N HN 0.580 nan 8.380 nan 0.000 0.486 157 L N 0.559 121.900 121.223 0.195 0.000 2.611 157 L HA 0.516 4.855 4.340 -0.002 0.000 0.260 157 L C -2.025 174.997 176.870 0.253 0.000 0.924 157 L CA -0.410 54.548 54.840 0.196 0.000 0.901 157 L CB 1.566 43.725 42.059 0.167 0.000 1.369 157 L HN -0.092 nan 8.230 nan 0.000 0.415 158 I N 6.120 126.827 120.570 0.228 0.000 2.410 158 I HA 0.458 4.627 4.170 -0.002 0.000 0.286 158 I C -0.647 175.609 176.117 0.233 0.000 1.009 158 I CA -0.484 60.931 61.300 0.190 0.000 1.111 158 I CB 1.774 39.827 38.000 0.089 0.000 1.262 158 I HN 0.472 nan 8.210 nan 0.000 0.443 159 I N 6.302 127.001 120.570 0.214 0.000 2.307 159 I HA 0.336 4.505 4.170 -0.002 0.000 0.289 159 I C -0.314 176.011 176.117 0.346 0.000 1.021 159 I CA -0.264 61.243 61.300 0.345 0.000 1.224 159 I CB 0.628 38.843 38.000 0.360 0.000 1.376 159 I HN 0.369 nan 8.210 nan 0.000 0.470 160 F N 3.402 123.589 119.950 0.395 0.000 2.294 160 F HA 0.612 5.137 4.527 -0.002 0.000 0.319 160 F C 1.402 177.422 175.800 0.366 0.000 1.107 160 F CA -0.168 58.051 58.000 0.366 0.000 1.094 160 F CB 0.202 39.459 39.000 0.430 0.000 1.508 160 F HN 0.340 nan 8.300 nan 0.000 0.506 161 G N -0.490 108.555 108.800 0.408 0.000 2.525 161 G HA2 0.486 4.445 3.960 -0.002 0.000 0.287 161 G HA3 0.486 4.445 3.960 -0.002 0.000 0.287 161 G C -2.710 172.381 174.900 0.318 0.000 1.350 161 G CA -1.305 43.888 45.100 0.155 0.000 1.039 161 G HN 0.330 nan 8.290 nan 0.000 0.513 162 P HA 0.244 nan 4.420 nan 0.000 0.276 162 P C 0.366 177.712 177.300 0.075 0.000 1.244 162 P CA -0.003 63.154 63.100 0.095 0.000 0.801 162 P CB 1.415 33.087 31.700 -0.047 0.000 1.006 163 G N 0.833 109.543 108.800 -0.149 0.000 2.582 163 G HA2 0.252 4.210 3.960 -0.002 0.000 0.232 163 G HA3 0.252 4.210 3.960 -0.002 0.000 0.232 163 G C -1.674 172.811 174.900 -0.693 0.000 1.458 163 G CA -1.018 43.851 45.100 -0.384 0.000 1.062 163 G HN 0.236 nan 8.290 nan 0.000 0.566 164 P HA -0.062 nan 4.420 nan 0.000 0.216 164 P C 0.501 177.247 177.300 -0.923 0.000 1.157 164 P CA 0.764 63.073 63.100 -1.318 0.000 0.880 164 P CB 0.065 31.037 31.700 -1.214 0.000 0.791 165 V N 0.945 120.307 119.914 -0.920 0.000 2.385 165 V HA 0.060 4.179 4.120 -0.002 0.000 0.269 165 V C 1.731 177.498 176.094 -0.546 0.000 1.043 165 V CA -0.010 61.793 62.300 -0.828 0.000 0.906 165 V CB 0.567 32.027 31.823 -0.606 0.000 0.995 165 V HN 0.016 nan 8.190 nan 0.000 0.467 166 L N 4.017 124.942 121.223 -0.497 0.000 2.012 166 L HA -0.155 4.184 4.340 -0.002 0.000 0.210 166 L C 2.214 178.907 176.870 -0.295 0.000 1.073 166 L CA 1.693 56.276 54.840 -0.429 0.000 0.748 166 L CB -0.401 41.286 42.059 -0.620 0.000 0.891 166 L HN 0.902 nan 8.230 nan 0.000 0.431 167 N N 0.002 118.569 118.700 -0.222 0.000 2.449 167 N HA -0.119 4.620 4.740 -0.002 0.000 0.191 167 N C 0.325 175.767 175.510 -0.113 0.000 1.161 167 N CA 0.324 53.300 53.050 -0.123 0.000 0.863 167 N CB -0.131 38.324 38.487 -0.052 0.000 0.980 167 N HN 0.390 nan 8.380 nan 0.000 0.458 168 E N 1.179 121.279 120.200 -0.167 0.000 2.282 168 E HA 0.163 4.512 4.350 -0.002 0.000 0.247 168 E C -0.650 175.882 176.600 -0.113 0.000 1.113 168 E CA -0.534 55.782 56.400 -0.140 0.000 1.095 168 E CB 0.029 29.607 29.700 -0.203 0.000 1.328 168 E HN 0.246 nan 8.360 nan 0.000 0.463 169 N N 2.566 121.249 118.700 -0.027 0.000 2.479 169 N HA 0.039 4.778 4.740 -0.002 0.000 0.257 169 N C -0.154 175.398 175.510 0.069 0.000 1.232 169 N CA 0.541 53.631 53.050 0.067 0.000 0.920 169 N CB 0.994 39.607 38.487 0.210 0.000 1.105 169 N HN 0.449 nan 8.380 nan 0.000 0.444 170 E N 0.104 120.349 120.200 0.075 0.000 2.388 170 E HA 0.163 4.512 4.350 -0.002 0.000 0.289 170 E C -1.581 175.056 176.600 0.063 0.000 0.944 170 E CA -0.541 55.889 56.400 0.050 0.000 0.792 170 E CB 1.068 30.742 29.700 -0.043 0.000 1.239 170 E HN 0.319 nan 8.360 nan 0.000 0.412 171 T N 4.642 119.250 114.554 0.089 0.000 2.806 171 T HA 0.493 4.842 4.350 -0.002 0.000 0.290 171 T C -0.028 174.710 174.700 0.063 0.000 0.966 171 T CA -0.153 62.007 62.100 0.100 0.000 1.060 171 T CB 0.243 69.192 68.868 0.136 0.000 0.927 171 T HN 0.315 nan 8.240 nan 0.000 0.485 172 I N 3.922 124.556 120.570 0.107 0.000 2.465 172 I HA 0.351 4.520 4.170 -0.002 0.000 0.291 172 I C -0.290 175.934 176.117 0.179 0.000 1.014 172 I CA -1.048 60.344 61.300 0.153 0.000 1.093 172 I CB 1.888 40.032 38.000 0.239 0.000 1.267 172 I HN 0.640 nan 8.210 nan 0.000 0.431 173 D N 6.563 127.082 120.400 0.200 0.000 2.268 173 D HA 0.456 5.095 4.640 -0.002 0.000 0.249 173 D C -0.354 176.188 176.300 0.403 0.000 1.008 173 D CA -0.477 53.669 54.000 0.243 0.000 0.939 173 D CB 1.990 42.911 40.800 0.203 0.000 1.170 173 D HN 0.260 nan 8.370 nan 0.000 0.468 174 I N 0.196 120.965 120.570 0.332 0.000 2.395 174 I HA 0.381 4.550 4.170 -0.002 0.000 0.289 174 I C 0.819 177.080 176.117 0.239 0.000 1.023 174 I CA -0.487 60.999 61.300 0.309 0.000 1.350 174 I CB 1.462 39.529 38.000 0.111 0.000 1.409 174 I HN 0.449 nan 8.210 nan 0.000 0.507 175 G N 7.334 116.146 108.800 0.019 0.000 2.416 175 G HA2 0.740 4.699 3.960 -0.002 0.000 0.324 175 G HA3 0.740 4.699 3.960 -0.002 0.000 0.324 175 G C -0.852 173.871 174.900 -0.295 0.000 1.194 175 G CA -0.397 44.312 45.100 -0.652 0.000 0.922 175 G HN 0.501 nan 8.290 nan 0.000 0.467 176 I N 1.183 121.596 120.570 -0.262 0.000 2.466 176 I HA 0.296 4.464 4.170 -0.002 0.000 0.289 176 I C 0.232 176.289 176.117 -0.099 0.000 1.026 176 I CA -0.562 60.666 61.300 -0.121 0.000 1.078 176 I CB 2.119 40.082 38.000 -0.063 0.000 1.249 176 I HN 0.613 nan 8.210 nan 0.000 0.429 177 Q N 5.026 124.783 119.800 -0.072 0.000 2.452 177 Q HA -0.256 4.083 4.340 -0.002 0.000 0.318 177 Q C 0.083 176.079 176.000 -0.007 0.000 1.386 177 Q CA 0.781 56.569 55.803 -0.024 0.000 0.872 177 Q CB -1.191 27.552 28.738 0.010 0.000 1.151 177 Q HN 0.944 nan 8.270 nan 0.000 0.417 178 N N -1.434 117.192 118.700 -0.122 0.000 2.778 178 N HA -0.230 4.509 4.740 -0.002 0.000 0.249 178 N C -0.475 174.821 175.510 -0.356 0.000 1.069 178 N CA 0.868 53.798 53.050 -0.200 0.000 0.831 178 N CB -0.514 37.888 38.487 -0.141 0.000 1.142 178 N HN 0.516 nan 8.380 nan 0.000 0.573 179 H N -0.911 118.023 119.070 -0.227 0.000 2.797 179 H HA 0.454 5.009 4.556 -0.002 0.000 0.372 179 H C -1.010 174.141 175.328 -0.294 0.000 1.168 179 H CA -0.269 55.709 56.048 -0.116 0.000 1.163 179 H CB 1.075 30.826 29.762 -0.019 0.000 1.778 179 H HN -0.093 nan 8.280 nan 0.000 0.551 180 F N 0.171 120.244 119.950 0.206 0.000 2.496 180 F HA 0.309 4.834 4.527 -0.002 0.000 0.341 180 F C 1.061 176.987 175.800 0.210 0.000 1.134 180 F CA -0.572 57.530 58.000 0.168 0.000 0.968 180 F CB 1.680 40.759 39.000 0.132 0.000 1.205 180 F HN 0.677 nan 8.300 nan 0.000 0.436 181 A N 1.372 124.389 122.820 0.329 0.000 2.070 181 A HA -0.127 4.192 4.320 -0.002 0.000 0.220 181 A C 2.060 179.885 177.584 0.402 0.000 1.159 181 A CA 1.763 54.024 52.037 0.372 0.000 0.656 181 A CB -0.655 18.462 19.000 0.195 0.000 0.800 181 A HN 0.687 nan 8.150 nan 0.000 0.453 182 S N -1.031 114.875 115.700 0.344 0.000 2.607 182 S HA 0.073 4.542 4.470 -0.002 0.000 0.224 182 S C 1.192 175.943 174.600 0.252 0.000 0.969 182 S CA 0.418 58.785 58.200 0.279 0.000 0.927 182 S CB -0.153 63.192 63.200 0.241 0.000 0.772 182 S HN 0.637 nan 8.310 nan 0.000 0.533 183 R N 0.192 120.862 120.500 0.284 0.000 2.549 183 R HA 0.316 4.655 4.340 -0.002 0.000 0.344 183 R C 0.136 176.573 176.300 0.228 0.000 0.979 183 R CA 0.041 56.274 56.100 0.221 0.000 1.140 183 R CB 0.408 30.823 30.300 0.192 0.000 1.377 183 R HN 0.442 nan 8.270 nan 0.000 0.541 184 E N -0.212 120.144 120.200 0.260 0.000 2.810 184 E HA 0.199 4.548 4.350 -0.002 0.000 0.214 184 E C 0.547 177.057 176.600 -0.150 0.000 0.980 184 E CA 0.212 56.714 56.400 0.170 0.000 1.159 184 E CB 1.647 31.569 29.700 0.369 0.000 1.047 184 E HN 0.364 nan 8.360 nan 0.000 0.484 185 G N 0.714 109.486 108.800 -0.046 0.000 2.213 185 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.236 185 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.236 185 G C 0.659 175.370 174.900 -0.315 0.000 0.991 185 G CA 0.176 45.168 45.100 -0.181 0.000 0.629 185 G HN 0.288 nan 8.290 nan 0.000 0.517 186 F N 1.144 121.115 119.950 0.034 0.000 2.262 186 F HA 0.439 4.965 4.527 -0.002 0.000 0.292 186 F C 2.031 177.894 175.800 0.104 0.000 1.081 186 F CA 1.598 59.612 58.000 0.023 0.000 1.355 186 F CB -0.318 38.696 39.000 0.024 0.000 1.069 186 F HN 1.044 nan 8.300 nan 0.000 0.506 187 G N -0.331 108.659 108.800 0.316 0.000 2.746 187 G HA2 0.334 4.293 3.960 -0.002 0.000 0.685 187 G HA3 0.334 4.293 3.960 -0.002 0.000 0.685 187 G C -0.431 174.595 174.900 0.209 0.000 1.350 187 G CA -0.722 44.509 45.100 0.217 0.000 0.837 187 G HN 0.929 nan 8.290 nan 0.000 0.564 188 G N -1.421 107.474 108.800 0.159 0.000 2.547 188 G HA2 0.632 4.591 3.960 -0.002 0.000 0.291 188 G HA3 0.632 4.591 3.960 -0.002 0.000 0.291 188 G C -0.263 174.703 174.900 0.111 0.000 1.471 188 G CA -0.400 44.779 45.100 0.131 0.000 0.798 188 G HN 1.272 nan 8.290 nan 0.000 0.504 189 I N 1.864 122.487 120.570 0.088 0.000 2.919 189 I HA -0.076 4.093 4.170 -0.002 0.000 0.299 189 I C 0.477 176.644 176.117 0.083 0.000 1.221 189 I CA 0.465 61.814 61.300 0.082 0.000 1.424 189 I CB 0.232 38.263 38.000 0.051 0.000 1.358 189 I HN 0.190 nan 8.210 nan 0.000 0.551 190 M N 6.680 126.344 119.600 0.107 0.000 2.409 190 M HA 0.431 4.909 4.480 -0.002 0.000 0.329 190 M C -0.238 176.145 176.300 0.139 0.000 1.180 190 M CA -0.300 55.071 55.300 0.119 0.000 1.053 190 M CB 1.488 34.161 32.600 0.122 0.000 1.586 190 M HN 0.506 nan 8.290 nan 0.000 0.461 191 Q N 1.236 121.132 119.800 0.159 0.000 2.484 191 Q HA 0.818 5.157 4.340 -0.002 0.000 0.285 191 Q C -1.232 174.921 176.000 0.254 0.000 1.097 191 Q CA -0.724 55.230 55.803 0.252 0.000 0.802 191 Q CB 3.883 32.768 28.738 0.244 0.000 1.444 191 Q HN 0.708 nan 8.270 nan 0.000 0.429 192 M N 0.887 120.699 119.600 0.354 0.000 2.465 192 M HA 0.434 4.912 4.480 -0.002 0.000 0.284 192 M C -2.140 174.364 176.300 0.342 0.000 1.212 192 M CA -0.607 54.858 55.300 0.275 0.000 0.910 192 M CB 2.370 35.123 32.600 0.256 0.000 1.725 192 M HN 0.505 nan 8.290 nan 0.000 0.477 193 K N 3.319 123.833 120.400 0.189 0.000 2.394 193 K HA 0.608 4.926 4.320 -0.002 0.000 0.260 193 K C -1.581 175.223 176.600 0.340 0.000 0.967 193 K CA -0.439 55.975 56.287 0.212 0.000 0.855 193 K CB 1.988 34.432 32.500 -0.093 0.000 1.101 193 K HN 0.454 nan 8.250 nan 0.000 0.433 194 F N 2.252 122.374 119.950 0.287 0.000 2.576 194 F HA 0.558 5.084 4.527 -0.002 0.000 0.313 194 F C -1.395 174.641 175.800 0.394 0.000 1.078 194 F CA -1.217 56.949 58.000 0.277 0.000 0.921 194 F CB 1.606 40.771 39.000 0.275 0.000 1.232 194 F HN 0.676 nan 8.300 nan 0.000 0.459 195 C N 8.685 127.601 119.300 -0.639 0.000 2.446 195 C HA 0.563 5.022 4.460 -0.002 0.000 0.329 195 C C -1.872 172.627 174.990 -0.817 0.000 1.166 195 C CA -1.456 57.359 59.018 -0.338 0.000 1.341 195 C CB 1.479 29.102 27.740 -0.195 0.000 1.970 195 C HN 0.760 nan 8.230 nan 0.000 0.452 196 P HA 0.051 nan 4.420 nan 0.000 0.224 196 P C 0.783 177.989 177.300 -0.156 0.000 1.159 196 P CA 1.273 64.191 63.100 -0.304 0.000 0.824 196 P CB 0.625 32.277 31.700 -0.080 0.000 0.833 197 E N -0.788 119.352 120.200 -0.100 0.000 2.158 197 E HA -0.049 4.299 4.350 -0.002 0.000 0.191 197 E C 0.074 176.426 176.600 -0.413 0.000 0.982 197 E CA 0.768 57.029 56.400 -0.232 0.000 0.823 197 E CB -0.476 29.073 29.700 -0.251 0.000 0.766 197 E HN 0.354 nan 8.360 nan 0.000 0.468 198 Y N 0.882 121.066 120.300 -0.193 0.000 2.751 198 Y HA 0.208 4.756 4.550 -0.002 0.000 0.333 198 Y C 0.099 175.900 175.900 -0.165 0.000 1.122 198 Y CA -1.119 56.851 58.100 -0.216 0.000 1.367 198 Y CB 0.241 38.536 38.460 -0.275 0.000 1.242 198 Y HN -0.188 nan 8.280 nan 0.000 0.505 199 V N -0.041 119.845 119.914 -0.047 0.000 2.863 199 V HA 0.684 4.803 4.120 -0.002 0.000 0.307 199 V C 0.306 176.414 176.094 0.023 0.000 1.061 199 V CA -1.003 61.303 62.300 0.009 0.000 1.024 199 V CB 1.496 33.354 31.823 0.059 0.000 1.049 199 V HN 0.607 nan 8.190 nan 0.000 0.471 200 S N 2.106 117.844 115.700 0.063 0.000 2.617 200 S HA 0.727 5.196 4.470 -0.002 0.000 0.269 200 S C -0.310 174.356 174.600 0.110 0.000 1.292 200 S CA -0.630 57.613 58.200 0.071 0.000 1.010 200 S CB 1.359 64.606 63.200 0.078 0.000 0.944 200 S HN 1.068 nan 8.310 nan 0.000 0.536 201 V N 2.536 122.496 119.914 0.076 0.000 2.555 201 V HA 0.651 4.770 4.120 -0.002 0.000 0.302 201 V C -0.664 175.482 176.094 0.088 0.000 1.038 201 V CA -0.872 61.437 62.300 0.015 0.000 0.887 201 V CB 0.922 32.704 31.823 -0.068 0.000 0.991 201 V HN 0.892 nan 8.190 nan 0.000 0.434 202 F N 1.480 121.441 119.950 0.018 0.000 2.520 202 F HA 0.603 5.129 4.527 -0.002 0.000 0.322 202 F C -0.117 175.709 175.800 0.043 0.000 1.103 202 F CA -1.157 56.852 58.000 0.016 0.000 0.926 202 F CB 1.115 40.113 39.000 -0.003 0.000 1.154 202 F HN 0.393 nan 8.300 nan 0.000 0.453 203 N N 2.560 121.348 118.700 0.146 0.000 2.412 203 N HA 0.392 5.131 4.740 -0.002 0.000 0.258 203 N C -0.572 175.000 175.510 0.103 0.000 1.236 203 N CA 1.137 54.223 53.050 0.061 0.000 0.882 203 N CB 0.333 38.841 38.487 0.035 0.000 1.066 203 N HN 1.178 nan 8.380 nan 0.000 0.465 204 N N -0.019 118.715 118.700 0.056 0.000 3.545 204 N HA 0.461 5.200 4.740 -0.002 0.000 0.227 204 N C -0.297 175.287 175.510 0.125 0.000 1.380 204 N CA -0.273 52.861 53.050 0.140 0.000 0.892 204 N CB -0.104 38.551 38.487 0.279 0.000 1.441 204 N HN 0.496 nan 8.380 nan 0.000 0.497 205 V N -0.975 119.033 119.914 0.158 0.000 2.644 205 V HA 0.591 4.709 4.120 -0.002 0.000 0.305 205 V C 0.888 176.997 176.094 0.025 0.000 1.053 205 V CA 1.543 63.905 62.300 0.104 0.000 1.186 205 V CB -0.157 31.740 31.823 0.124 0.000 0.895 205 V HN 2.084 nan 8.190 nan 0.000 0.490 206 Q N 2.161 121.939 119.800 -0.036 0.000 2.536 206 Q HA 0.679 5.018 4.340 -0.002 0.000 0.231 206 Q C -0.622 175.353 176.000 -0.043 0.000 0.811 206 Q CA 0.539 56.271 55.803 -0.120 0.000 0.966 206 Q CB 0.141 28.724 28.738 -0.258 0.000 1.512 206 Q HN 2.403 nan 8.270 nan 0.000 0.456 212 S N 0.849 116.604 115.700 0.092 0.000 2.252 212 S HA 0.628 5.097 4.470 -0.002 0.000 0.180 212 S C 0.467 175.097 174.600 0.050 0.000 1.534 212 S CA 0.424 58.669 58.200 0.075 0.000 1.141 212 S CB -0.396 62.863 63.200 0.097 0.000 1.122 212 S HN 2.073 nan 8.310 nan 0.000 0.475 213 I N -0.690 119.891 120.570 0.018 0.000 3.424 213 I HA 0.745 4.914 4.170 -0.002 0.000 0.339 213 I C 0.567 176.681 176.117 -0.005 0.000 1.549 213 I CA 0.328 61.618 61.300 -0.016 0.000 1.049 213 I CB -1.485 36.497 38.000 -0.031 0.000 1.439 213 I HN 1.281 nan 8.210 nan 0.000 0.500 214 F N -1.335 118.619 119.950 0.007 0.000 1.652 214 F HA 0.288 4.814 4.527 -0.002 0.000 0.333 214 F C 0.166 175.975 175.800 0.016 0.000 1.177 214 F CA 0.358 58.367 58.000 0.014 0.000 1.236 214 F CB -0.666 38.345 39.000 0.019 0.000 1.877 214 F HN 0.341 nan 8.300 nan 0.000 0.180 215 N N 1.917 120.627 118.700 0.018 0.000 2.518 215 N HA 0.406 5.144 4.740 -0.002 0.000 0.283 215 N C -0.155 175.365 175.510 0.017 0.000 1.119 215 N CA -0.481 52.580 53.050 0.018 0.000 0.983 215 N CB 1.270 39.765 38.487 0.014 0.000 1.139 215 N HN 0.571 nan 8.380 nan 0.000 0.465 216 R N 1.191 121.704 120.500 0.022 0.000 2.547 216 R HA -0.123 4.216 4.340 -0.002 0.000 0.269 216 R C 0.397 176.686 176.300 -0.018 0.000 0.968 216 R CA 0.725 56.836 56.100 0.017 0.000 1.101 216 R CB 0.161 30.492 30.300 0.051 0.000 0.898 216 R HN 0.583 nan 8.270 nan 0.000 0.416 217 R N 0.706 121.189 120.500 -0.028 0.000 2.803 217 R HA 0.747 5.086 4.340 -0.002 0.000 0.276 217 R C -0.359 175.867 176.300 -0.123 0.000 0.978 217 R CA -0.307 55.758 56.100 -0.059 0.000 0.939 217 R CB 1.939 32.253 30.300 0.023 0.000 1.179 217 R HN 0.747 nan 8.270 nan 0.000 0.472 218 G N 0.402 109.084 108.800 -0.198 0.000 2.525 218 G HA2 -0.035 3.923 3.960 -0.002 0.000 0.685 218 G HA3 -0.035 3.923 3.960 -0.002 0.000 0.685 218 G C -1.837 172.764 174.900 -0.499 0.000 1.290 218 G CA -0.776 44.181 45.100 -0.239 0.000 0.915 218 G HN 0.483 nan 8.290 nan 0.000 0.548 219 Y N -0.839 119.032 120.300 -0.716 0.000 2.545 219 Y HA 0.725 5.274 4.550 -0.002 0.000 0.348 219 Y C 0.557 175.954 175.900 -0.839 0.000 1.002 219 Y CA -0.828 56.755 58.100 -0.861 0.000 1.039 219 Y CB 1.848 39.709 38.460 -0.999 0.000 1.271 219 Y HN 0.768 nan 8.280 nan 0.000 0.467 220 F N -1.371 118.354 119.950 -0.374 0.000 2.432 220 F HA 0.833 5.359 4.527 -0.002 0.000 0.329 220 F C -0.007 175.772 175.800 -0.034 0.000 1.076 220 F CA -1.337 56.495 58.000 -0.280 0.000 1.018 220 F CB 0.665 39.413 39.000 -0.421 0.000 1.201 220 F HN 0.262 nan 8.300 nan 0.000 0.489 221 S N 0.459 116.355 115.700 0.327 0.000 2.592 221 S HA 0.080 4.549 4.470 -0.002 0.000 0.271 221 S C -0.627 174.237 174.600 0.439 0.000 1.326 221 S CA -0.612 57.798 58.200 0.350 0.000 1.024 221 S CB 0.565 63.928 63.200 0.272 0.000 0.921 221 S HN 0.696 nan 8.310 nan 0.000 0.527 222 D N 2.594 123.239 120.400 0.408 0.000 2.336 222 D HA 0.162 4.801 4.640 -0.002 0.000 0.249 222 D C -1.294 175.185 176.300 0.299 0.000 1.213 222 D CA -2.113 52.180 54.000 0.488 0.000 0.870 222 D CB 1.141 42.187 40.800 0.409 0.000 1.076 222 D HN 0.146 nan 8.370 nan 0.000 0.483 223 P HA -0.169 nan 4.420 nan 0.000 0.224 223 P C 0.874 178.307 177.300 0.222 0.000 1.142 223 P CA 0.675 63.898 63.100 0.206 0.000 0.778 223 P CB 0.283 32.036 31.700 0.089 0.000 0.764 224 A N -0.549 122.372 122.820 0.167 0.000 2.016 224 A HA -0.063 4.256 4.320 -0.002 0.000 0.217 224 A C 2.126 179.674 177.584 -0.059 0.000 1.162 224 A CA 0.830 52.899 52.037 0.052 0.000 0.662 224 A CB -1.219 17.832 19.000 0.085 0.000 0.812 224 A HN 0.204 nan 8.150 nan 0.000 0.450 225 L N -0.277 120.942 121.223 -0.006 0.000 2.162 225 L HA 0.120 4.459 4.340 -0.002 0.000 0.205 225 L C 2.051 178.919 176.870 -0.003 0.000 1.086 225 L CA 1.291 56.092 54.840 -0.065 0.000 0.778 225 L CB -0.317 41.719 42.059 -0.038 0.000 0.928 225 L HN 0.378 nan 8.230 nan 0.000 0.446 226 I N -0.796 119.827 120.570 0.088 0.000 2.335 226 I HA -0.266 3.903 4.170 -0.002 0.000 0.251 226 I C 2.174 178.389 176.117 0.164 0.000 1.129 226 I CA 0.984 62.381 61.300 0.163 0.000 1.402 226 I CB -0.255 37.904 38.000 0.264 0.000 1.069 226 I HN 0.325 nan 8.210 nan 0.000 0.424 227 L N 0.024 121.245 121.223 -0.004 0.000 2.209 227 L HA -0.007 4.332 4.340 -0.002 0.000 0.207 227 L C 2.229 178.921 176.870 -0.297 0.000 1.094 227 L CA 1.533 56.146 54.840 -0.379 0.000 0.790 227 L CB -0.316 41.327 42.059 -0.694 0.000 0.932 227 L HN 0.119 nan 8.230 nan 0.000 0.447 228 M N -1.715 117.748 119.600 -0.228 0.000 2.394 228 M HA -0.147 4.332 4.480 -0.002 0.000 0.264 228 M C 2.099 178.288 176.300 -0.185 0.000 1.073 228 M CA 1.193 56.347 55.300 -0.243 0.000 1.111 228 M CB -0.438 32.003 32.600 -0.265 0.000 1.401 228 M HN 0.421 nan 8.290 nan 0.000 0.448 229 H N 0.768 119.724 119.070 -0.191 0.000 2.357 229 H HA -0.094 4.461 4.556 -0.002 0.000 0.301 229 H C 1.867 177.063 175.328 -0.219 0.000 1.082 229 H CA 1.662 57.596 56.048 -0.190 0.000 1.342 229 H CB 0.339 30.047 29.762 -0.088 0.000 1.389 229 H HN 0.149 nan 8.280 nan 0.000 0.511 230 E N 0.657 120.870 120.200 0.021 0.000 2.150 230 E HA -0.106 4.243 4.350 -0.002 0.000 0.193 230 E C 2.451 178.998 176.600 -0.089 0.000 0.985 230 E CA 0.664 57.095 56.400 0.052 0.000 0.814 230 E CB -0.185 29.578 29.700 0.104 0.000 0.752 230 E HN 0.566 nan 8.360 nan 0.000 0.466 231 L N 0.423 121.531 121.223 -0.192 0.000 2.201 231 L HA -0.064 4.275 4.340 -0.002 0.000 0.212 231 L C 2.370 179.064 176.870 -0.293 0.000 1.105 231 L CA 0.557 55.268 54.840 -0.216 0.000 0.775 231 L CB -0.338 41.559 42.059 -0.269 0.000 0.913 231 L HN 0.090 nan 8.230 nan 0.000 0.440 232 I N -1.121 119.201 120.570 -0.413 0.000 2.252 232 I HA -0.274 3.895 4.170 -0.002 0.000 0.245 232 I C 2.605 178.311 176.117 -0.686 0.000 1.102 232 I CA 0.908 61.846 61.300 -0.604 0.000 1.385 232 I CB -0.578 37.038 38.000 -0.639 0.000 1.064 232 I HN 0.310 nan 8.210 nan 0.000 0.414 233 H N 0.461 119.305 119.070 -0.377 0.000 2.352 233 H HA -0.120 4.435 4.556 -0.002 0.000 0.299 233 H C 2.546 177.805 175.328 -0.115 0.000 1.097 233 H CA 1.429 57.370 56.048 -0.178 0.000 1.311 233 H CB -0.498 29.225 29.762 -0.066 0.000 1.377 233 H HN 0.142 nan 8.280 nan 0.000 0.504 234 V N 1.211 121.127 119.914 0.002 0.000 2.255 234 V HA -0.253 3.865 4.120 -0.002 0.000 0.247 234 V C 2.746 178.834 176.094 -0.010 0.000 1.051 234 V CA 1.718 64.026 62.300 0.014 0.000 1.018 234 V CB -0.777 31.040 31.823 -0.011 0.000 0.641 234 V HN 0.195 nan 8.190 nan 0.000 0.445 235 L N -0.033 121.100 121.223 -0.150 0.000 1.990 235 L HA -0.252 4.087 4.340 -0.002 0.000 0.213 235 L C 2.358 179.239 176.870 0.019 0.000 1.072 235 L CA 2.325 57.075 54.840 -0.151 0.000 0.755 235 L CB -0.991 40.807 42.059 -0.436 0.000 0.889 235 L HN 0.488 nan 8.230 nan 0.000 0.432 236 H N -1.319 117.732 119.070 -0.031 0.000 2.319 236 H HA -0.139 4.416 4.556 -0.002 0.000 0.297 236 H C 2.065 177.463 175.328 0.117 0.000 1.097 236 H CA 0.776 56.838 56.048 0.022 0.000 1.285 236 H CB -0.456 29.321 29.762 0.024 0.000 1.368 236 H HN 0.561 nan 8.280 nan 0.000 0.495 237 G N 0.753 109.695 108.800 0.238 0.000 2.421 237 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.216 237 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.216 237 G C 1.662 176.682 174.900 0.199 0.000 1.171 237 G CA 0.738 45.958 45.100 0.200 0.000 0.775 237 G HN 0.225 nan 8.290 nan 0.000 0.543 238 L N -1.067 120.266 121.223 0.183 0.000 2.079 238 L HA -0.083 4.256 4.340 -0.002 0.000 0.210 238 L C 2.372 179.284 176.870 0.069 0.000 1.081 238 L CA 0.891 55.807 54.840 0.126 0.000 0.752 238 L CB -0.305 41.819 42.059 0.108 0.000 0.896 238 L HN 0.208 nan 8.230 nan 0.000 0.433 239 Y N -0.083 120.241 120.300 0.039 0.000 2.490 239 Y HA 0.189 4.738 4.550 -0.002 0.000 0.281 239 Y C 1.716 177.737 175.900 0.200 0.000 1.174 239 Y CA 0.208 58.331 58.100 0.039 0.000 1.295 239 Y CB -0.262 38.223 38.460 0.042 0.000 1.062 239 Y HN 0.239 nan 8.280 nan 0.000 0.522 240 G N 1.780 110.762 108.800 0.303 0.000 2.273 240 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.280 240 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.280 240 G C 0.700 175.786 174.900 0.310 0.000 1.047 240 G CA 0.810 46.081 45.100 0.286 0.000 0.869 240 G HN 0.681 nan 8.290 nan 0.000 0.502 241 I N -3.134 117.610 120.570 0.289 0.000 4.009 241 I HA 0.490 4.658 4.170 -0.002 0.000 0.331 241 I C 1.144 177.318 176.117 0.096 0.000 1.462 241 I CA -0.130 61.296 61.300 0.211 0.000 1.117 241 I CB 0.492 38.594 38.000 0.169 0.000 1.091 241 I HN 0.061 nan 8.210 nan 0.000 0.410 242 K N 3.227 123.698 120.400 0.120 0.000 3.225 242 K HA 0.167 4.485 4.320 -0.002 0.000 0.282 242 K C 0.526 177.150 176.600 0.040 0.000 1.060 242 K CA -0.194 56.133 56.287 0.066 0.000 1.186 242 K CB -0.272 32.297 32.500 0.114 0.000 1.214 242 K HN 0.479 nan 8.250 nan 0.000 0.428 243 V N -1.356 118.593 119.914 0.059 0.000 3.332 243 V HA 0.086 4.205 4.120 -0.002 0.000 0.305 243 V C -0.009 176.093 176.094 0.013 0.000 1.114 243 V CA -0.327 62.008 62.300 0.059 0.000 1.194 243 V CB 0.857 32.733 31.823 0.088 0.000 1.027 243 V HN 0.184 nan 8.190 nan 0.000 0.492 244 D N 1.298 121.706 120.400 0.014 0.000 2.198 244 D HA 0.650 5.289 4.640 -0.002 0.000 0.247 244 D C -0.319 175.983 176.300 0.002 0.000 1.010 244 D CA -0.150 53.841 54.000 -0.015 0.000 0.880 244 D CB 1.654 42.440 40.800 -0.024 0.000 1.209 244 D HN 0.889 nan 8.370 nan 0.000 0.451 245 D N 0.046 120.436 120.400 -0.016 0.000 3.236 245 D HA 0.162 4.801 4.640 -0.002 0.000 0.325 245 D C -1.206 175.080 176.300 -0.023 0.000 1.352 245 D CA -0.526 53.471 54.000 -0.005 0.000 0.979 245 D CB 1.011 41.816 40.800 0.009 0.000 1.410 245 D HN 0.172 nan 8.370 nan 0.000 0.588 246 L N 3.668 124.878 121.223 -0.021 0.000 2.485 246 L HA 0.324 4.663 4.340 -0.002 0.000 0.279 246 L C -2.082 174.747 176.870 -0.069 0.000 1.124 246 L CA -0.663 54.153 54.840 -0.040 0.000 0.888 246 L CB 0.307 42.348 42.059 -0.031 0.000 1.217 246 L HN 0.106 nan 8.230 nan 0.000 0.464 247 P HA 0.178 nan 4.420 nan 0.000 0.276 247 P C -0.770 176.467 177.300 -0.106 0.000 1.261 247 P CA -0.574 62.478 63.100 -0.080 0.000 0.800 247 P CB 1.113 32.779 31.700 -0.057 0.000 1.066 248 I N 1.371 121.902 120.570 -0.064 0.000 2.342 248 I HA 0.175 4.344 4.170 -0.002 0.000 0.291 248 I C 0.538 176.688 176.117 0.054 0.000 1.010 248 I CA -0.540 60.733 61.300 -0.045 0.000 1.308 248 I CB 0.864 38.927 38.000 0.105 0.000 1.400 248 I HN 0.154 nan 8.210 nan 0.000 0.488 249 V N 6.506 126.421 119.914 0.002 0.000 2.604 249 V HA 0.691 4.810 4.120 -0.002 0.000 0.305 249 V C -2.626 173.466 176.094 -0.003 0.000 1.043 249 V CA -2.102 60.218 62.300 0.034 0.000 0.888 249 V CB 1.854 33.662 31.823 -0.025 0.000 0.995 249 V HN 0.525 nan 8.190 nan 0.000 0.429 250 P HA 0.173 nan 4.420 nan 0.000 0.275 250 P C -0.683 176.481 177.300 -0.227 0.000 1.227 250 P CA -0.148 62.781 63.100 -0.286 0.000 0.781 250 P CB 0.866 32.417 31.700 -0.249 0.000 0.906 251 N N 2.306 120.824 118.700 -0.304 0.000 2.470 251 N HA 0.014 4.752 4.740 -0.002 0.000 0.268 251 N C 0.099 175.443 175.510 -0.276 0.000 1.136 251 N CA 0.239 53.134 53.050 -0.258 0.000 0.961 251 N CB 0.161 38.454 38.487 -0.323 0.000 1.067 251 N HN 0.330 nan 8.380 nan 0.000 0.468 252 E N 2.612 122.688 120.200 -0.208 0.000 2.789 252 E HA 0.110 4.458 4.350 -0.002 0.000 0.208 252 E C 0.327 176.813 176.600 -0.191 0.000 0.988 252 E CA -0.149 56.139 56.400 -0.187 0.000 1.092 252 E CB 0.561 30.198 29.700 -0.104 0.000 1.066 252 E HN 0.572 nan 8.360 nan 0.000 0.465 253 K N 0.736 120.990 120.400 -0.243 0.000 2.186 253 K HA 0.045 4.364 4.320 -0.002 0.000 0.202 253 K C 0.704 177.161 176.600 -0.239 0.000 1.052 253 K CA 0.652 56.822 56.287 -0.195 0.000 0.965 253 K CB 0.300 32.706 32.500 -0.156 0.000 0.746 253 K HN -0.108 nan 8.250 nan 0.000 0.457 254 K N 1.110 121.231 120.400 -0.466 0.000 2.110 254 K HA 0.088 4.407 4.320 -0.002 0.000 0.263 254 K C 0.892 177.111 176.600 -0.636 0.000 0.975 254 K CA -0.396 55.514 56.287 -0.627 0.000 0.895 254 K CB 0.792 32.494 32.500 -1.330 0.000 1.060 254 K HN 0.026 nan 8.250 nan 0.000 0.448 255 F N 0.793 120.523 119.950 -0.367 0.000 2.373 255 F HA -0.179 4.347 4.527 -0.002 0.000 0.300 255 F C 1.137 176.865 175.800 -0.122 0.000 1.080 255 F CA 0.783 58.674 58.000 -0.183 0.000 1.417 255 F CB -0.607 38.368 39.000 -0.042 0.000 1.070 255 F HN 0.431 nan 8.300 nan 0.000 0.546 256 F N -0.418 118.994 119.950 -0.897 0.000 2.727 256 F HA 0.466 4.992 4.527 -0.002 0.000 0.302 256 F C 0.273 176.068 175.800 -0.008 0.000 1.097 256 F CA -1.445 56.303 58.000 -0.419 0.000 1.330 256 F CB -1.150 37.622 39.000 -0.380 0.000 1.084 256 F HN -0.124 nan 8.300 nan 0.000 0.578 257 M N 1.679 121.090 119.600 -0.315 0.000 2.233 257 M HA 0.211 4.690 4.480 -0.002 0.000 0.355 257 M C 0.105 176.386 176.300 -0.031 0.000 1.191 257 M CA -0.308 54.920 55.300 -0.120 0.000 1.101 257 M CB 1.369 33.749 32.600 -0.367 0.000 1.592 257 M HN 0.113 nan 8.290 nan 0.000 0.461 258 Q N 1.833 121.673 119.800 0.067 0.000 2.281 258 Q HA 0.141 4.480 4.340 -0.002 0.000 0.267 258 Q C -0.896 175.160 176.000 0.094 0.000 1.053 258 Q CA 0.054 55.935 55.803 0.130 0.000 0.905 258 Q CB 0.730 29.634 28.738 0.277 0.000 1.195 258 Q HN 0.663 nan 8.270 nan 0.000 0.398 259 S N 2.956 118.729 115.700 0.120 0.000 2.523 259 S HA 0.434 4.903 4.470 -0.002 0.000 0.275 259 S C -0.199 174.482 174.600 0.135 0.000 1.281 259 S CA -0.252 58.011 58.200 0.105 0.000 1.050 259 S CB 1.358 64.640 63.200 0.136 0.000 0.937 259 S HN 0.749 nan 8.310 nan 0.000 0.492 260 T N 1.723 116.348 114.554 0.119 0.000 2.775 260 T HA 0.236 4.585 4.350 -0.002 0.000 0.320 260 T C -1.847 172.920 174.700 0.112 0.000 1.597 260 T CA -0.918 61.260 62.100 0.131 0.000 1.022 260 T CB 0.820 69.824 68.868 0.226 0.000 1.485 260 T HN 0.397 nan 8.240 nan 0.000 0.494 261 D N 1.545 121.998 120.400 0.089 0.000 2.368 261 D HA 0.465 5.104 4.640 -0.002 0.000 0.240 261 D C 0.730 177.087 176.300 0.095 0.000 1.169 261 D CA 0.144 54.185 54.000 0.069 0.000 0.906 261 D CB 0.846 41.677 40.800 0.052 0.000 1.187 261 D HN 0.879 nan 8.370 nan 0.000 0.435 262 A N 1.270 124.125 122.820 0.057 0.000 2.425 262 A HA 0.322 4.641 4.320 -0.002 0.000 0.242 262 A C 0.270 177.874 177.584 0.033 0.000 1.077 262 A CA -0.092 51.976 52.037 0.052 0.000 0.781 262 A CB 0.090 19.096 19.000 0.010 0.000 1.020 262 A HN 0.512 nan 8.150 nan 0.000 0.494 263 I N 2.254 122.838 120.570 0.024 0.000 2.390 263 I HA 0.172 4.340 4.170 -0.002 0.000 0.283 263 I C -0.158 175.895 176.117 -0.107 0.000 1.016 263 I CA -0.546 60.715 61.300 -0.065 0.000 1.151 263 I CB 1.349 39.292 38.000 -0.095 0.000 1.293 263 I HN 0.599 nan 8.210 nan 0.000 0.458 264 Q N 3.266 122.988 119.800 -0.130 0.000 2.394 264 Q HA 0.261 4.600 4.340 -0.002 0.000 0.248 264 Q C 1.170 177.048 176.000 -0.204 0.000 0.992 264 Q CA -0.020 55.699 55.803 -0.141 0.000 0.888 264 Q CB 1.362 30.025 28.738 -0.124 0.000 1.257 264 Q HN 0.836 nan 8.270 nan 0.000 0.462 265 A N 1.902 124.570 122.820 -0.254 0.000 1.908 265 A HA -0.234 4.085 4.320 -0.002 0.000 0.218 265 A C 1.791 179.046 177.584 -0.548 0.000 1.181 265 A CA 1.787 53.540 52.037 -0.474 0.000 0.627 265 A CB -0.325 18.308 19.000 -0.612 0.000 0.818 265 A HN 0.827 nan 8.150 nan 0.000 0.445 266 E N -0.099 119.910 120.200 -0.319 0.000 2.130 266 E HA -0.278 4.071 4.350 -0.002 0.000 0.196 266 E C 1.932 178.562 176.600 0.050 0.000 0.998 266 E CA 1.875 58.204 56.400 -0.117 0.000 0.806 266 E CB -0.121 29.548 29.700 -0.051 0.000 0.738 266 E HN 0.682 nan 8.360 nan 0.000 0.459 267 E N 0.395 120.590 120.200 -0.009 0.000 2.072 267 E HA -0.091 4.258 4.350 -0.002 0.000 0.191 267 E C 2.276 178.883 176.600 0.013 0.000 0.985 267 E CA 0.917 57.358 56.400 0.068 0.000 0.801 267 E CB -0.292 29.330 29.700 -0.130 0.000 0.750 267 E HN 0.298 nan 8.360 nan 0.000 0.452 268 L N -0.380 120.776 121.223 -0.112 0.000 2.217 268 L HA -0.100 4.239 4.340 -0.002 0.000 0.211 268 L C 1.944 178.961 176.870 0.245 0.000 1.107 268 L CA 0.599 55.433 54.840 -0.009 0.000 0.783 268 L CB -0.395 41.626 42.059 -0.063 0.000 0.919 268 L HN 0.213 nan 8.230 nan 0.000 0.442 269 Y N 0.379 120.748 120.300 0.116 0.000 2.263 269 Y HA -0.135 4.414 4.550 -0.002 0.000 0.292 269 Y C 2.866 178.846 175.900 0.132 0.000 1.130 269 Y CA 0.849 59.039 58.100 0.150 0.000 1.179 269 Y CB -1.260 37.233 38.460 0.054 0.000 0.998 269 Y HN 0.133 nan 8.280 nan 0.000 0.532 270 T N 0.080 114.799 114.554 0.275 0.000 2.821 270 T HA -0.191 4.158 4.350 -0.002 0.000 0.267 270 T C 1.767 176.504 174.700 0.062 0.000 1.046 270 T CA 1.290 63.431 62.100 0.068 0.000 1.139 270 T CB -0.638 68.098 68.868 -0.219 0.000 0.871 270 T HN 0.254 nan 8.240 nan 0.000 0.454 271 F N 1.515 121.528 119.950 0.106 0.000 2.163 271 F HA 0.267 4.793 4.527 -0.002 0.000 0.297 271 F C 1.630 177.495 175.800 0.109 0.000 1.094 271 F CA 1.030 59.117 58.000 0.146 0.000 1.290 271 F CB -0.544 38.554 39.000 0.164 0.000 1.017 271 F HN 0.386 nan 8.300 nan 0.000 0.483 272 G N -0.141 108.843 108.800 0.306 0.000 2.645 272 G HA2 0.206 4.165 3.960 -0.002 0.000 0.239 272 G HA3 0.206 4.165 3.960 -0.002 0.000 0.239 272 G C 0.608 175.677 174.900 0.282 0.000 1.331 272 G CA -0.085 45.149 45.100 0.224 0.000 0.890 272 G HN 1.555 nan 8.290 nan 0.000 0.572 273 G N -1.566 107.336 108.800 0.170 0.000 2.498 273 G HA2 0.031 3.990 3.960 -0.002 0.000 0.251 273 G HA3 0.031 3.990 3.960 -0.002 0.000 0.251 273 G C 1.157 176.161 174.900 0.175 0.000 1.170 273 G CA 1.901 47.103 45.100 0.171 0.000 0.944 273 G HN 2.341 nan 8.290 nan 0.000 0.567 274 Q N -0.216 119.691 119.800 0.179 0.000 2.331 274 Q HA 0.165 4.503 4.340 -0.002 0.000 0.203 274 Q C 1.592 177.694 176.000 0.169 0.000 0.944 274 Q CA 1.505 57.396 55.803 0.147 0.000 0.892 274 Q CB 0.034 28.835 28.738 0.105 0.000 0.983 274 Q HN 0.516 nan 8.270 nan 0.000 0.482 275 D N 2.048 122.576 120.400 0.214 0.000 2.190 275 D HA -0.116 4.523 4.640 -0.002 0.000 0.200 275 D C -0.785 175.652 176.300 0.229 0.000 0.992 275 D CA 0.944 55.076 54.000 0.221 0.000 0.854 275 D CB -1.249 39.683 40.800 0.220 0.000 0.936 275 D HN 0.390 nan 8.370 nan 0.000 0.462 276 P HA 0.035 nan 4.420 nan 0.000 0.226 276 P C 1.125 178.583 177.300 0.263 0.000 1.153 276 P CA 0.814 64.112 63.100 0.330 0.000 0.777 276 P CB 0.183 32.082 31.700 0.332 0.000 0.794 277 S N -1.006 114.819 115.700 0.208 0.000 2.489 277 S HA 0.043 4.512 4.470 -0.002 0.000 0.228 277 S C 1.598 176.315 174.600 0.195 0.000 0.995 277 S CA 0.575 58.896 58.200 0.203 0.000 0.934 277 S CB -0.758 62.558 63.200 0.192 0.000 0.771 277 S HN 0.187 nan 8.310 nan 0.000 0.522 278 I N 1.167 121.844 120.570 0.179 0.000 3.111 278 I HA 0.011 4.180 4.170 -0.002 0.000 0.272 278 I C -0.156 176.085 176.117 0.207 0.000 1.268 278 I CA 0.589 61.995 61.300 0.178 0.000 1.467 278 I CB 0.054 38.139 38.000 0.141 0.000 1.087 278 I HN 0.163 nan 8.210 nan 0.000 0.467 279 I N 2.355 123.039 120.570 0.190 0.000 2.306 279 I HA 0.078 4.247 4.170 -0.002 0.000 0.288 279 I C 0.982 177.229 176.117 0.216 0.000 1.036 279 I CA -0.121 61.279 61.300 0.168 0.000 1.221 279 I CB 0.506 38.574 38.000 0.114 0.000 1.385 279 I HN 0.106 nan 8.210 nan 0.000 0.472 280 T N 4.710 119.395 114.554 0.220 0.000 2.855 280 T HA 0.095 4.444 4.350 -0.002 0.000 0.322 280 T C -1.716 173.099 174.700 0.192 0.000 1.088 280 T CA -0.770 61.451 62.100 0.202 0.000 1.104 280 T CB 0.446 69.432 68.868 0.197 0.000 0.996 280 T HN 0.316 nan 8.240 nan 0.000 0.549 281 P HA -0.028 nan 4.420 nan 0.000 0.220 281 P C 1.700 179.071 177.300 0.119 0.000 1.148 281 P CA 0.827 64.029 63.100 0.170 0.000 0.803 281 P CB -0.045 31.768 31.700 0.189 0.000 0.782 282 S N -1.252 114.509 115.700 0.103 0.000 2.355 282 S HA -0.114 4.355 4.470 -0.002 0.000 0.222 282 S C 1.903 176.559 174.600 0.094 0.000 1.031 282 S CA 1.764 60.008 58.200 0.073 0.000 0.993 282 S CB -1.303 61.934 63.200 0.062 0.000 0.859 282 S HN 0.243 nan 8.310 nan 0.000 0.453 283 T N 1.956 116.582 114.554 0.119 0.000 2.904 283 T HA -0.052 4.297 4.350 -0.002 0.000 0.267 283 T C 1.347 176.159 174.700 0.187 0.000 1.059 283 T CA 0.944 63.118 62.100 0.123 0.000 1.137 283 T CB -0.411 68.516 68.868 0.098 0.000 0.879 283 T HN 0.240 nan 8.240 nan 0.000 0.467 284 D N 1.176 121.718 120.400 0.236 0.000 2.158 284 D HA -0.065 4.574 4.640 -0.002 0.000 0.197 284 D C 2.131 178.611 176.300 0.300 0.000 0.995 284 D CA 1.164 55.377 54.000 0.354 0.000 0.846 284 D CB -0.040 40.946 40.800 0.311 0.000 0.941 284 D HN 0.340 nan 8.370 nan 0.000 0.456 285 K N 0.010 120.514 120.400 0.175 0.000 2.116 285 K HA -0.013 4.306 4.320 -0.002 0.000 0.203 285 K C 2.171 178.863 176.600 0.153 0.000 1.052 285 K CA 0.459 56.816 56.287 0.117 0.000 0.952 285 K CB 0.040 32.554 32.500 0.024 0.000 0.729 285 K HN -0.099 nan 8.250 nan 0.000 0.446 286 S N 1.307 117.086 115.700 0.131 0.000 2.359 286 S HA -0.182 4.287 4.470 -0.002 0.000 0.222 286 S C 1.906 176.587 174.600 0.134 0.000 1.038 286 S CA 1.392 59.656 58.200 0.107 0.000 1.051 286 S CB -0.295 62.956 63.200 0.085 0.000 0.944 286 S HN 0.208 nan 8.310 nan 0.000 0.433 287 I N 0.119 120.799 120.570 0.183 0.000 2.091 287 I HA -0.232 3.937 4.170 -0.002 0.000 0.239 287 I C 2.264 178.504 176.117 0.205 0.000 1.061 287 I CA 2.210 63.640 61.300 0.217 0.000 1.317 287 I CB -0.790 37.407 38.000 0.329 0.000 1.031 287 I HN 0.426 nan 8.210 nan 0.000 0.401 288 Y N 2.100 122.441 120.300 0.068 0.000 2.030 288 Y HA -0.420 4.129 4.550 -0.002 0.000 0.272 288 Y C 2.345 178.153 175.900 -0.152 0.000 1.185 288 Y CA 2.313 60.273 58.100 -0.233 0.000 1.120 288 Y CB -0.422 37.915 38.460 -0.205 0.000 0.955 288 Y HN 0.254 nan 8.280 nan 0.000 0.495 289 D N -0.134 120.344 120.400 0.130 0.000 2.149 289 D HA -0.166 4.473 4.640 -0.002 0.000 0.198 289 D C 2.052 178.318 176.300 -0.056 0.000 0.990 289 D CA 1.600 55.610 54.000 0.017 0.000 0.839 289 D CB -0.247 40.588 40.800 0.059 0.000 0.948 289 D HN 0.453 nan 8.370 nan 0.000 0.460 290 K N 0.217 120.615 120.400 -0.003 0.000 2.097 290 K HA -0.042 4.277 4.320 -0.002 0.000 0.205 290 K C 2.141 178.733 176.600 -0.012 0.000 1.050 290 K CA 0.405 56.695 56.287 0.005 0.000 0.938 290 K CB 0.132 32.661 32.500 0.048 0.000 0.718 290 K HN -0.006 nan 8.250 nan 0.000 0.442 291 V N 1.444 121.339 119.914 -0.033 0.000 2.379 291 V HA -0.198 3.921 4.120 -0.002 0.000 0.245 291 V C 2.084 178.072 176.094 -0.177 0.000 1.044 291 V CA 1.156 63.434 62.300 -0.037 0.000 1.036 291 V CB -0.310 31.513 31.823 -0.000 0.000 0.664 291 V HN 0.261 nan 8.190 nan 0.000 0.453 292 L N 0.365 121.382 121.223 -0.344 0.000 2.083 292 L HA -0.180 4.159 4.340 -0.002 0.000 0.209 292 L C 2.350 179.036 176.870 -0.307 0.000 1.083 292 L CA 2.127 56.598 54.840 -0.615 0.000 0.752 292 L CB -0.991 40.591 42.059 -0.795 0.000 0.899 292 L HN 0.343 nan 8.230 nan 0.000 0.433 293 Q N -0.229 119.462 119.800 -0.182 0.000 2.124 293 Q HA -0.172 4.167 4.340 -0.002 0.000 0.202 293 Q C 2.025 177.984 176.000 -0.068 0.000 0.977 293 Q CA 1.798 57.535 55.803 -0.111 0.000 0.850 293 Q CB -0.286 28.410 28.738 -0.070 0.000 0.901 293 Q HN 0.581 nan 8.270 nan 0.000 0.429 294 N N -0.613 118.081 118.700 -0.011 0.000 2.084 294 N HA -0.119 4.620 4.740 -0.002 0.000 0.190 294 N C 1.406 176.925 175.510 0.014 0.000 1.030 294 N CA 1.102 54.146 53.050 -0.010 0.000 0.849 294 N CB -0.478 38.048 38.487 0.066 0.000 1.012 294 N HN 0.227 nan 8.380 nan 0.000 0.423 295 F N 1.892 121.757 119.950 -0.142 0.000 2.161 295 F HA -0.056 4.470 4.527 -0.002 0.000 0.300 295 F C 2.358 178.040 175.800 -0.197 0.000 1.089 295 F CA 0.797 58.749 58.000 -0.080 0.000 1.282 295 F CB -0.503 38.609 39.000 0.187 0.000 1.010 295 F HN 0.008 nan 8.300 nan 0.000 0.485 296 R N -0.364 120.110 120.500 -0.043 0.000 2.091 296 R HA -0.145 4.194 4.340 -0.002 0.000 0.238 296 R C 2.568 178.742 176.300 -0.209 0.000 1.136 296 R CA 1.277 57.274 56.100 -0.173 0.000 0.959 296 R CB -1.163 29.044 30.300 -0.155 0.000 0.856 296 R HN 0.401 nan 8.270 nan 0.000 0.437 297 G N 1.222 109.904 108.800 -0.197 0.000 2.402 297 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.216 297 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.216 297 G C 1.367 176.088 174.900 -0.298 0.000 1.162 297 G CA 0.346 45.316 45.100 -0.216 0.000 0.777 297 G HN 0.070 nan 8.290 nan 0.000 0.539 298 I N 0.778 121.097 120.570 -0.419 0.000 2.252 298 I HA -0.075 4.094 4.170 -0.002 0.000 0.245 298 I C 2.840 178.757 176.117 -0.333 0.000 1.102 298 I CA 0.663 61.650 61.300 -0.522 0.000 1.385 298 I CB -1.182 36.323 38.000 -0.824 0.000 1.064 298 I HN 0.099 nan 8.210 nan 0.000 0.414 299 V N 1.284 120.913 119.914 -0.475 0.000 2.626 299 V HA -0.283 3.836 4.120 -0.002 0.000 0.252 299 V C 2.127 178.036 176.094 -0.309 0.000 1.067 299 V CA 2.347 64.220 62.300 -0.711 0.000 1.081 299 V CB -0.383 30.720 31.823 -1.201 0.000 0.686 299 V HN 0.375 nan 8.190 nan 0.000 0.468 300 D N -0.547 119.710 120.400 -0.238 0.000 2.149 300 D HA -0.139 4.500 4.640 -0.002 0.000 0.201 300 D C 2.349 178.601 176.300 -0.080 0.000 0.972 300 D CA 1.216 55.136 54.000 -0.133 0.000 0.835 300 D CB -0.067 40.660 40.800 -0.122 0.000 0.966 300 D HN 0.392 nan 8.370 nan 0.000 0.476 301 R N -0.184 120.259 120.500 -0.095 0.000 2.073 301 R HA -0.037 4.302 4.340 -0.002 0.000 0.234 301 R C 2.481 178.793 176.300 0.020 0.000 1.134 301 R CA 0.962 57.042 56.100 -0.033 0.000 0.952 301 R CB -0.414 29.865 30.300 -0.034 0.000 0.850 301 R HN 0.278 nan 8.270 nan 0.000 0.433 302 L N 0.996 122.244 121.223 0.042 0.000 2.129 302 L HA -0.210 4.129 4.340 -0.002 0.000 0.212 302 L C 1.602 178.577 176.870 0.175 0.000 1.087 302 L CA 1.019 55.910 54.840 0.086 0.000 0.757 302 L CB -0.519 41.492 42.059 -0.081 0.000 0.896 302 L HN 0.284 nan 8.230 nan 0.000 0.434 303 N N 0.075 118.862 118.700 0.144 0.000 2.467 303 N HA -0.055 4.684 4.740 -0.002 0.000 0.184 303 N C 1.256 176.806 175.510 0.067 0.000 1.106 303 N CA 0.788 53.929 53.050 0.152 0.000 0.892 303 N CB 0.346 38.885 38.487 0.088 0.000 0.969 303 N HN 0.458 nan 8.380 nan 0.000 0.454 304 K N -0.426 119.991 120.400 0.027 0.000 2.491 304 K HA 0.163 4.481 4.320 -0.002 0.000 0.211 304 K C 0.134 176.706 176.600 -0.047 0.000 1.210 304 K CA -0.111 56.171 56.287 -0.008 0.000 1.003 304 K CB 1.471 33.959 32.500 -0.020 0.000 1.009 304 K HN -0.161 nan 8.250 nan 0.000 0.577 305 V N 2.383 122.247 119.914 -0.083 0.000 2.673 305 V HA -0.009 4.110 4.120 -0.002 0.000 0.303 305 V C 0.549 176.541 176.094 -0.170 0.000 1.046 305 V CA 0.705 62.862 62.300 -0.238 0.000 1.126 305 V CB 0.413 31.946 31.823 -0.483 0.000 0.934 305 V HN 0.223 nan 8.190 nan 0.000 0.487 306 L N 6.328 127.443 121.223 -0.180 0.000 2.678 306 L HA 0.383 4.722 4.340 -0.002 0.000 0.187 306 L C 0.216 177.047 176.870 -0.065 0.000 1.073 306 L CA 0.552 55.341 54.840 -0.084 0.000 0.883 306 L CB 0.404 42.435 42.059 -0.047 0.000 1.501 306 L HN 0.601 nan 8.230 nan 0.000 0.488 307 V N -2.879 116.992 119.914 -0.072 0.000 3.046 307 V HA 0.596 4.715 4.120 -0.002 0.000 0.316 307 V C -1.144 174.960 176.094 0.016 0.000 1.104 307 V CA -1.186 61.106 62.300 -0.014 0.000 1.006 307 V CB 2.219 34.041 31.823 -0.003 0.000 1.058 307 V HN 0.268 nan 8.190 nan 0.000 0.440 308 C N 4.887 124.231 119.300 0.073 0.000 2.301 308 C HA 0.721 5.180 4.460 -0.002 0.000 0.323 308 C C 0.720 175.743 174.990 0.055 0.000 1.265 308 C CA -0.465 58.622 59.018 0.115 0.000 1.503 308 C CB -0.449 27.374 27.740 0.137 0.000 2.195 308 C HN 0.947 nan 8.230 nan 0.000 0.477 309 I N 4.307 124.904 120.570 0.044 0.000 3.858 309 I HA 0.254 4.423 4.170 -0.002 0.000 0.325 309 I C 1.259 177.381 176.117 0.009 0.000 1.403 309 I CA 0.557 61.869 61.300 0.019 0.000 1.169 309 I CB -0.937 37.069 38.000 0.010 0.000 1.077 309 I HN 0.582 nan 8.210 nan 0.000 0.403 310 S N -0.874 114.833 115.700 0.011 0.000 2.931 310 S HA 0.246 4.715 4.470 -0.002 0.000 0.251 310 S C 0.352 174.945 174.600 -0.012 0.000 1.078 310 S CA 0.014 58.211 58.200 -0.005 0.000 0.835 310 S CB -0.011 63.189 63.200 -0.001 0.000 0.798 310 S HN 0.355 nan 8.310 nan 0.000 0.495 311 D N 2.853 123.250 120.400 -0.006 0.000 2.375 311 D HA 0.439 5.077 4.640 -0.002 0.000 0.259 311 D C -2.176 174.121 176.300 -0.004 0.000 1.235 311 D CA -2.134 51.857 54.000 -0.016 0.000 0.924 311 D CB 1.948 42.732 40.800 -0.027 0.000 1.143 311 D HN 0.021 nan 8.370 nan 0.000 0.529 312 P HA -0.095 nan 4.420 nan 0.000 0.231 312 P C 0.712 178.020 177.300 0.013 0.000 1.158 312 P CA 0.467 63.574 63.100 0.010 0.000 0.763 312 P CB 0.402 32.106 31.700 0.006 0.000 0.805 313 N N -0.262 118.442 118.700 0.006 0.000 2.446 313 N HA -0.010 4.728 4.740 -0.002 0.000 0.179 313 N C 0.656 176.182 175.510 0.027 0.000 1.054 313 N CA 0.083 53.140 53.050 0.012 0.000 0.905 313 N CB -0.337 38.149 38.487 -0.001 0.000 0.973 313 N HN -0.067 nan 8.380 nan 0.000 0.448 314 I N 1.779 122.357 120.570 0.014 0.000 2.598 314 I HA -0.052 4.117 4.170 -0.002 0.000 0.284 314 I C 0.425 176.574 176.117 0.054 0.000 1.140 314 I CA 0.087 61.386 61.300 -0.003 0.000 1.420 314 I CB -0.142 37.779 38.000 -0.132 0.000 1.387 314 I HN 0.207 nan 8.210 nan 0.000 0.553 315 N N 7.668 126.444 118.700 0.128 0.000 2.469 315 N HA 0.095 4.834 4.740 -0.002 0.000 0.239 315 N C 0.965 176.619 175.510 0.239 0.000 1.053 315 N CA -0.427 52.722 53.050 0.164 0.000 0.937 315 N CB 0.704 39.287 38.487 0.159 0.000 1.163 315 N HN 0.312 nan 8.380 nan 0.000 0.509 316 I N 2.542 123.240 120.570 0.213 0.000 2.194 316 I HA -0.295 3.874 4.170 -0.002 0.000 0.246 316 I C 1.658 177.946 176.117 0.286 0.000 1.093 316 I CA 0.997 62.472 61.300 0.292 0.000 1.355 316 I CB -0.979 37.136 38.000 0.192 0.000 1.046 316 I HN 0.533 nan 8.210 nan 0.000 0.413 317 N N 1.072 119.892 118.700 0.201 0.000 2.084 317 N HA -0.139 4.600 4.740 -0.002 0.000 0.190 317 N C 1.934 177.539 175.510 0.159 0.000 1.030 317 N CA 1.152 54.308 53.050 0.176 0.000 0.849 317 N CB -0.223 38.339 38.487 0.126 0.000 1.012 317 N HN 0.257 nan 8.380 nan 0.000 0.423 318 I N 0.579 121.232 120.570 0.138 0.000 2.208 318 I HA -0.268 3.901 4.170 -0.002 0.000 0.245 318 I C 1.910 177.975 176.117 -0.087 0.000 1.097 318 I CA 1.273 62.594 61.300 0.036 0.000 1.363 318 I CB -1.082 36.941 38.000 0.038 0.000 1.051 318 I HN 0.097 nan 8.210 nan 0.000 0.413 319 Y N 1.091 121.347 120.300 -0.073 0.000 2.220 319 Y HA -0.120 4.429 4.550 -0.002 0.000 0.291 319 Y C 2.588 178.424 175.900 -0.107 0.000 1.129 319 Y CA 1.238 59.190 58.100 -0.246 0.000 1.161 319 Y CB -0.396 37.928 38.460 -0.227 0.000 0.997 319 Y HN 0.079 nan 8.280 nan 0.000 0.522 320 K N -0.026 120.537 120.400 0.271 0.000 2.147 320 K HA -0.157 4.162 4.320 -0.002 0.000 0.205 320 K C 1.443 178.114 176.600 0.120 0.000 1.049 320 K CA 1.326 57.761 56.287 0.247 0.000 0.936 320 K CB -0.097 32.583 32.500 0.298 0.000 0.722 320 K HN 0.310 nan 8.250 nan 0.000 0.446 321 N N 0.680 119.434 118.700 0.089 0.000 2.409 321 N HA -0.108 4.631 4.740 -0.002 0.000 0.179 321 N C 1.526 177.012 175.510 -0.041 0.000 1.032 321 N CA 0.878 53.969 53.050 0.069 0.000 0.898 321 N CB 0.136 38.656 38.487 0.055 0.000 0.971 321 N HN 0.054 nan 8.380 nan 0.000 0.441 322 K N 0.830 121.109 120.400 -0.202 0.000 2.044 322 K HA 0.161 4.480 4.320 -0.002 0.000 0.204 322 K C 1.771 178.241 176.600 -0.217 0.000 1.045 322 K CA 0.853 56.944 56.287 -0.327 0.000 0.951 322 K CB -0.493 31.615 32.500 -0.653 0.000 0.738 322 K HN 0.028 nan 8.250 nan 0.000 0.443 323 F N 1.499 121.416 119.950 -0.056 0.000 2.126 323 F HA -0.181 4.345 4.527 -0.002 0.000 0.299 323 F C 2.353 178.145 175.800 -0.013 0.000 1.096 323 F CA 1.196 59.211 58.000 0.024 0.000 1.255 323 F CB -0.164 38.971 39.000 0.225 0.000 0.997 323 F HN 0.095 nan 8.300 nan 0.000 0.479 324 K N 0.494 120.986 120.400 0.153 0.000 2.074 324 K HA -0.283 4.036 4.320 -0.002 0.000 0.209 324 K C 1.895 178.528 176.600 0.055 0.000 1.048 324 K CA 2.086 58.435 56.287 0.104 0.000 0.926 324 K CB -0.382 32.212 32.500 0.157 0.000 0.713 324 K HN 0.211 nan 8.250 nan 0.000 0.444 325 D N 0.648 121.064 120.400 0.026 0.000 2.194 325 D HA -0.137 4.502 4.640 -0.002 0.000 0.204 325 D C 1.853 178.121 176.300 -0.052 0.000 0.964 325 D CA 0.801 54.805 54.000 0.006 0.000 0.846 325 D CB 0.153 40.949 40.800 -0.007 0.000 0.962 325 D HN 0.249 nan 8.370 nan 0.000 0.490 326 K N -0.262 120.055 120.400 -0.139 0.000 1.991 326 K HA -0.209 4.110 4.320 -0.002 0.000 0.212 326 K C 1.861 178.276 176.600 -0.309 0.000 1.049 326 K CA 1.381 57.490 56.287 -0.297 0.000 0.932 326 K CB -0.318 31.852 32.500 -0.550 0.000 0.717 326 K HN 0.188 nan 8.250 nan 0.000 0.441 327 Y N 0.518 120.602 120.300 -0.360 0.000 2.529 327 Y HA 0.112 4.661 4.550 -0.002 0.000 0.290 327 Y C 0.349 176.045 175.900 -0.340 0.000 1.177 327 Y CA 0.404 58.164 58.100 -0.567 0.000 1.305 327 Y CB 0.253 37.782 38.460 -1.553 0.000 1.047 327 Y HN 0.114 nan 8.280 nan 0.000 0.522 328 K N -0.585 119.783 120.400 -0.054 0.000 3.160 328 K HA -0.223 4.096 4.320 -0.002 0.000 0.280 328 K C -0.408 176.359 176.600 0.277 0.000 1.154 328 K CA 0.262 56.621 56.287 0.120 0.000 0.822 328 K CB -2.169 30.437 32.500 0.176 0.000 1.239 328 K HN 0.324 nan 8.250 nan 0.000 0.489 329 F N 0.555 120.662 119.950 0.262 0.000 2.490 329 F HA 0.129 4.655 4.527 -0.002 0.000 0.336 329 F C 1.527 177.470 175.800 0.240 0.000 1.178 329 F CA -0.952 57.194 58.000 0.242 0.000 1.301 329 F CB 0.473 39.598 39.000 0.209 0.000 1.175 329 F HN -0.166 nan 8.300 nan 0.000 0.593 330 V N -0.248 119.917 119.914 0.419 0.000 2.483 330 V HA 0.431 4.549 4.120 -0.002 0.000 0.295 330 V C -0.592 175.659 176.094 0.262 0.000 1.035 330 V CA -0.848 61.623 62.300 0.285 0.000 0.896 330 V CB 1.565 33.503 31.823 0.192 0.000 0.986 330 V HN 0.833 nan 8.190 nan 0.000 0.447 331 E N 3.365 123.682 120.200 0.194 0.000 2.114 331 E HA 0.337 4.686 4.350 -0.002 0.000 0.266 331 E C -0.554 176.034 176.600 -0.021 0.000 0.896 331 E CA -0.674 55.739 56.400 0.022 0.000 0.750 331 E CB 1.371 31.077 29.700 0.009 0.000 1.121 331 E HN 0.965 nan 8.360 nan 0.000 0.413 332 D N 2.748 123.114 120.400 -0.057 0.000 2.312 332 D HA -0.128 4.511 4.640 -0.002 0.000 0.244 332 D C 1.063 177.337 176.300 -0.043 0.000 1.328 332 D CA 0.277 54.257 54.000 -0.033 0.000 0.965 332 D CB 0.434 41.213 40.800 -0.034 0.000 1.140 332 D HN 0.365 nan 8.370 nan 0.000 0.523 333 S N -1.789 113.897 115.700 -0.024 0.000 2.515 333 S HA -0.121 4.347 4.470 -0.002 0.000 0.231 333 S C 1.232 175.813 174.600 -0.032 0.000 0.987 333 S CA 0.490 58.679 58.200 -0.019 0.000 0.936 333 S CB -0.440 62.757 63.200 -0.006 0.000 0.766 333 S HN 0.551 nan 8.310 nan 0.000 0.528 334 E N 0.547 120.718 120.200 -0.049 0.000 2.400 334 E HA 0.215 4.564 4.350 -0.002 0.000 0.195 334 E C 1.302 177.847 176.600 -0.091 0.000 1.012 334 E CA 0.428 56.795 56.400 -0.055 0.000 0.875 334 E CB 0.184 29.856 29.700 -0.047 0.000 0.859 334 E HN 0.719 nan 8.360 nan 0.000 0.498 335 G N 2.205 110.912 108.800 -0.155 0.000 2.179 335 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.220 335 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.220 335 G C 0.258 174.877 174.900 -0.469 0.000 0.990 335 G CA -0.003 44.925 45.100 -0.286 0.000 0.646 335 G HN 0.042 nan 8.290 nan 0.000 0.517 336 K N 1.087 121.315 120.400 -0.286 0.000 2.349 336 K HA 0.563 4.882 4.320 -0.002 0.000 0.288 336 K C -0.043 176.406 176.600 -0.251 0.000 1.058 336 K CA -0.390 55.766 56.287 -0.219 0.000 0.953 336 K CB -0.187 32.257 32.500 -0.094 0.000 0.997 336 K HN 0.275 nan 8.250 nan 0.000 0.477 337 Y N 1.694 122.004 120.300 0.016 0.000 2.301 337 Y HA 0.334 4.883 4.550 -0.002 0.000 0.325 337 Y C 0.770 176.623 175.900 -0.078 0.000 1.203 337 Y CA 0.049 58.157 58.100 0.013 0.000 1.255 337 Y CB 1.508 39.994 38.460 0.043 0.000 1.232 337 Y HN 0.700 nan 8.280 nan 0.000 0.501 338 S N 1.370 117.124 115.700 0.091 0.000 2.565 338 S HA 0.573 5.042 4.470 -0.002 0.000 0.269 338 S C -1.299 173.287 174.600 -0.023 0.000 1.153 338 S CA -1.045 57.130 58.200 -0.042 0.000 0.835 338 S CB 0.947 64.147 63.200 -0.001 0.000 1.122 338 S HN 0.544 nan 8.310 nan 0.000 0.462 339 I N 2.094 122.614 120.570 -0.083 0.000 2.416 339 I HA 0.247 4.415 4.170 -0.002 0.000 0.288 339 I C -0.349 175.839 176.117 0.118 0.000 1.051 339 I CA -0.010 61.322 61.300 0.055 0.000 1.375 339 I CB 0.696 38.667 38.000 -0.048 0.000 1.407 339 I HN 0.683 nan 8.210 nan 0.000 0.516 340 D N 6.702 127.239 120.400 0.228 0.000 2.427 340 D HA 0.142 4.781 4.640 -0.002 0.000 0.226 340 D C 0.937 177.378 176.300 0.235 0.000 1.076 340 D CA -0.432 53.687 54.000 0.198 0.000 0.849 340 D CB 1.654 42.582 40.800 0.215 0.000 1.052 340 D HN 0.254 nan 8.370 nan 0.000 0.515 341 V N 4.505 124.522 119.914 0.172 0.000 2.250 341 V HA -0.336 3.783 4.120 -0.002 0.000 0.253 341 V C 2.084 178.346 176.094 0.279 0.000 1.065 341 V CA 2.056 64.480 62.300 0.207 0.000 1.039 341 V CB -0.519 31.386 31.823 0.136 0.000 0.647 341 V HN 0.549 nan 8.190 nan 0.000 0.446 342 E N 0.846 121.173 120.200 0.211 0.000 2.049 342 E HA -0.211 4.138 4.350 -0.002 0.000 0.198 342 E C 2.442 179.176 176.600 0.222 0.000 1.007 342 E CA 1.952 58.472 56.400 0.200 0.000 0.809 342 E CB -0.529 29.261 29.700 0.150 0.000 0.749 342 E HN 0.782 nan 8.360 nan 0.000 0.450 343 S N 0.052 115.889 115.700 0.228 0.000 2.383 343 S HA -0.184 4.285 4.470 -0.002 0.000 0.227 343 S C 2.014 176.763 174.600 0.248 0.000 1.026 343 S CA 0.874 59.207 58.200 0.221 0.000 0.981 343 S CB -0.587 62.746 63.200 0.222 0.000 0.818 343 S HN 0.346 nan 8.310 nan 0.000 0.472 344 F N 2.783 122.845 119.950 0.187 0.000 2.126 344 F HA -0.061 4.465 4.527 -0.002 0.000 0.299 344 F C 1.833 177.714 175.800 0.135 0.000 1.096 344 F CA 1.884 59.986 58.000 0.170 0.000 1.255 344 F CB -0.834 38.234 39.000 0.115 0.000 0.997 344 F HN 0.184 nan 8.300 nan 0.000 0.479 345 D N 0.365 120.890 120.400 0.208 0.000 2.095 345 D HA -0.265 4.374 4.640 -0.002 0.000 0.192 345 D C 2.248 178.612 176.300 0.108 0.000 0.990 345 D CA 2.149 56.266 54.000 0.195 0.000 0.836 345 D CB -0.340 40.644 40.800 0.307 0.000 0.979 345 D HN 0.282 nan 8.370 nan 0.000 0.447 346 K N -0.281 120.215 120.400 0.159 0.000 2.173 346 K HA -0.210 4.109 4.320 -0.002 0.000 0.207 346 K C 2.058 178.638 176.600 -0.033 0.000 1.046 346 K CA 1.078 57.477 56.287 0.188 0.000 0.929 346 K CB -0.294 32.346 32.500 0.233 0.000 0.720 346 K HN 0.139 nan 8.250 nan 0.000 0.453 347 L N 0.259 121.435 121.223 -0.079 0.000 2.027 347 L HA -0.129 4.210 4.340 -0.002 0.000 0.206 347 L C 2.145 178.830 176.870 -0.308 0.000 1.074 347 L CA 1.669 56.407 54.840 -0.169 0.000 0.745 347 L CB -0.836 41.180 42.059 -0.072 0.000 0.898 347 L HN 0.299 nan 8.230 nan 0.000 0.433 348 Y N 0.597 120.570 120.300 -0.546 0.000 2.114 348 Y HA -0.270 4.279 4.550 -0.002 0.000 0.284 348 Y C 2.438 178.025 175.900 -0.521 0.000 1.143 348 Y CA 2.236 59.976 58.100 -0.599 0.000 1.135 348 Y CB -0.189 37.816 38.460 -0.759 0.000 0.980 348 Y HN 0.163 nan 8.280 nan 0.000 0.499 349 K N -0.346 119.899 120.400 -0.258 0.000 2.103 349 K HA -0.161 4.158 4.320 -0.002 0.000 0.207 349 K C 2.256 178.426 176.600 -0.717 0.000 1.048 349 K CA 1.584 57.686 56.287 -0.309 0.000 0.930 349 K CB -0.305 32.361 32.500 0.276 0.000 0.716 349 K HN 0.236 nan 8.250 nan 0.000 0.444 350 S N 1.497 116.632 115.700 -0.942 0.000 2.370 350 S HA -0.084 4.384 4.470 -0.002 0.000 0.226 350 S C 1.894 176.210 174.600 -0.473 0.000 1.033 350 S CA 1.103 58.678 58.200 -1.042 0.000 1.011 350 S CB -0.177 62.596 63.200 -0.712 0.000 0.852 350 S HN 0.220 nan 8.310 nan 0.000 0.457 351 L N 0.121 121.075 121.223 -0.449 0.000 2.313 351 L HA 0.067 4.406 4.340 -0.002 0.000 0.214 351 L C 2.153 178.841 176.870 -0.303 0.000 1.119 351 L CA 0.624 55.283 54.840 -0.301 0.000 0.809 351 L CB -0.332 41.504 42.059 -0.372 0.000 0.933 351 L HN 0.331 nan 8.230 nan 0.000 0.449 352 M N -1.559 117.578 119.600 -0.772 0.000 2.657 352 M HA 0.113 4.592 4.480 -0.002 0.000 0.262 352 M C 1.560 177.386 176.300 -0.789 0.000 1.213 352 M CA 1.321 56.004 55.300 -1.028 0.000 1.182 352 M CB -0.253 31.123 32.600 -2.040 0.000 1.303 352 M HN 0.121 nan 8.290 nan 0.000 0.501 353 F N -1.480 118.296 119.950 -0.289 0.000 2.706 353 F HA 0.377 4.903 4.527 -0.002 0.000 0.313 353 F C 1.999 177.742 175.800 -0.094 0.000 1.096 353 F CA -0.173 57.732 58.000 -0.158 0.000 1.219 353 F CB -0.216 38.722 39.000 -0.103 0.000 1.051 353 F HN 0.115 nan 8.300 nan 0.000 0.568 354 G N 0.687 109.410 108.800 -0.128 0.000 2.508 354 G HA2 0.012 3.971 3.960 -0.002 0.000 0.212 354 G HA3 0.012 3.971 3.960 -0.002 0.000 0.212 354 G C 0.097 174.833 174.900 -0.272 0.000 1.206 354 G CA -0.010 44.964 45.100 -0.210 0.000 0.822 354 G HN 0.105 nan 8.290 nan 0.000 0.550 355 F N 2.735 122.593 119.950 -0.153 0.000 2.509 355 F HA 0.433 4.959 4.527 -0.002 0.000 0.350 355 F C 0.778 176.484 175.800 -0.157 0.000 1.220 355 F CA -0.241 57.665 58.000 -0.158 0.000 1.151 355 F CB 0.537 39.400 39.000 -0.227 0.000 1.379 355 F HN 0.062 nan 8.300 nan 0.000 0.610 356 T N -1.831 112.723 114.554 -0.001 0.000 2.906 356 T HA 0.252 4.601 4.350 -0.002 0.000 0.295 356 T C 0.729 175.362 174.700 -0.112 0.000 1.061 356 T CA -0.857 61.216 62.100 -0.044 0.000 1.000 356 T CB 1.872 70.740 68.868 0.000 0.000 1.103 356 T HN 0.567 nan 8.240 nan 0.000 0.486 357 E N 0.869 120.958 120.200 -0.184 0.000 2.204 357 E HA -0.142 4.207 4.350 -0.002 0.000 0.195 357 E C 1.342 177.758 176.600 -0.307 0.000 0.990 357 E CA 1.539 57.793 56.400 -0.244 0.000 0.821 357 E CB -0.259 29.282 29.700 -0.265 0.000 0.750 357 E HN 0.766 nan 8.360 nan 0.000 0.477 358 T N 0.852 115.213 114.554 -0.322 0.000 2.770 358 T HA -0.070 4.278 4.350 -0.002 0.000 0.263 358 T C 1.550 176.182 174.700 -0.113 0.000 1.039 358 T CA 1.085 63.041 62.100 -0.240 0.000 1.142 358 T CB -0.195 68.576 68.868 -0.162 0.000 0.868 358 T HN 0.192 nan 8.240 nan 0.000 0.435 359 N N 1.216 119.872 118.700 -0.073 0.000 2.188 359 N HA 0.069 4.808 4.740 -0.002 0.000 0.184 359 N C 1.892 177.397 175.510 -0.009 0.000 1.018 359 N CA 0.817 53.847 53.050 -0.033 0.000 0.858 359 N CB -0.355 38.112 38.487 -0.034 0.000 0.989 359 N HN 0.378 nan 8.380 nan 0.000 0.426 360 I N 1.007 121.563 120.570 -0.023 0.000 2.202 360 I HA -0.206 3.963 4.170 -0.002 0.000 0.242 360 I C 2.285 178.438 176.117 0.061 0.000 1.091 360 I CA 0.917 62.232 61.300 0.025 0.000 1.368 360 I CB -0.326 37.627 38.000 -0.078 0.000 1.058 360 I HN 0.051 nan 8.210 nan 0.000 0.410 361 A N 0.115 122.916 122.820 -0.032 0.000 1.933 361 A HA -0.239 4.080 4.320 -0.002 0.000 0.218 361 A C 2.327 179.949 177.584 0.064 0.000 1.175 361 A CA 1.622 53.651 52.037 -0.013 0.000 0.628 361 A CB -0.499 18.432 19.000 -0.115 0.000 0.814 361 A HN 0.370 nan 8.150 nan 0.000 0.444 362 E N 0.231 120.455 120.200 0.040 0.000 2.072 362 E HA -0.205 4.143 4.350 -0.002 0.000 0.191 362 E C 1.879 178.533 176.600 0.090 0.000 0.985 362 E CA 1.483 57.921 56.400 0.064 0.000 0.801 362 E CB -0.344 29.374 29.700 0.030 0.000 0.750 362 E HN 0.646 nan 8.360 nan 0.000 0.452 363 N N -0.666 118.099 118.700 0.108 0.000 2.084 363 N HA -0.169 4.569 4.740 -0.002 0.000 0.190 363 N C 1.413 176.966 175.510 0.072 0.000 1.030 363 N CA 1.206 54.309 53.050 0.088 0.000 0.849 363 N CB -0.232 38.325 38.487 0.117 0.000 1.012 363 N HN 0.109 nan 8.380 nan 0.000 0.423 364 Y N 0.619 120.926 120.300 0.011 0.000 2.529 364 Y HA 0.238 4.787 4.550 -0.002 0.000 0.290 364 Y C 0.152 176.085 175.900 0.056 0.000 1.177 364 Y CA 0.260 58.373 58.100 0.022 0.000 1.305 364 Y CB -0.056 38.416 38.460 0.018 0.000 1.047 364 Y HN -0.052 nan 8.280 nan 0.000 0.522 365 K N 0.485 121.010 120.400 0.208 0.000 3.239 365 K HA -0.195 4.124 4.320 -0.002 0.000 0.270 365 K C -0.851 175.964 176.600 0.358 0.000 1.049 365 K CA 0.386 56.818 56.287 0.243 0.000 0.769 365 K CB -2.015 30.566 32.500 0.134 0.000 1.305 365 K HN 0.293 nan 8.250 nan 0.000 0.469 366 I N 0.649 121.378 120.570 0.266 0.000 2.474 366 I HA 0.247 4.416 4.170 -0.002 0.000 0.294 366 I C 0.420 176.457 176.117 -0.133 0.000 1.005 366 I CA -0.944 60.455 61.300 0.164 0.000 1.113 366 I CB 1.841 39.913 38.000 0.120 0.000 1.289 366 I HN 0.074 nan 8.210 nan 0.000 0.436 367 K N 3.144 123.305 120.400 -0.399 0.000 2.118 367 K HA 0.556 4.875 4.320 -0.002 0.000 0.264 367 K C -0.497 175.922 176.600 -0.302 0.000 1.000 367 K CA -0.063 55.782 56.287 -0.737 0.000 0.929 367 K CB 1.492 33.383 32.500 -1.015 0.000 1.021 367 K HN 0.713 nan 8.250 nan 0.000 0.463 368 T N 0.655 114.883 114.554 -0.542 0.000 2.731 368 T HA 0.293 4.642 4.350 -0.002 0.000 0.300 368 T C -1.496 172.356 174.700 -1.414 0.000 1.283 368 T CA -0.951 60.570 62.100 -0.965 0.000 1.005 368 T CB 0.728 69.306 68.868 -0.485 0.000 1.420 368 T HN 0.754 nan 8.240 nan 0.000 0.503 369 R N 1.459 121.190 120.500 -1.282 0.000 2.623 369 R HA 0.562 4.901 4.340 -0.002 0.000 0.271 369 R C 1.208 177.411 176.300 -0.161 0.000 1.043 369 R CA 0.304 56.005 56.100 -0.665 0.000 1.083 369 R CB 0.225 30.338 30.300 -0.313 0.000 0.974 369 R HN 0.617 nan 8.270 nan 0.000 0.436 370 A N 2.162 124.924 122.820 -0.096 0.000 1.969 370 A HA -0.070 4.249 4.320 -0.002 0.000 0.218 370 A C 1.027 178.652 177.584 0.069 0.000 1.169 370 A CA 1.511 53.552 52.037 0.006 0.000 0.635 370 A CB -0.048 18.953 19.000 0.002 0.000 0.810 370 A HN 0.820 nan 8.150 nan 0.000 0.445 371 S N -4.472 111.160 115.700 -0.113 0.000 2.596 371 S HA 0.421 4.890 4.470 -0.002 0.000 0.270 371 S C 0.213 174.366 174.600 -0.745 0.000 1.155 371 S CA -0.208 57.804 58.200 -0.314 0.000 0.827 371 S CB 0.430 63.529 63.200 -0.168 0.000 1.130 371 S HN 0.393 nan 8.310 nan 0.000 0.467 372 Y N 2.575 122.244 120.300 -1.051 0.000 2.224 372 Y HA 0.233 4.782 4.550 -0.002 0.000 0.289 372 Y C 0.201 175.606 175.900 -0.824 0.000 1.146 372 Y CA 1.444 58.908 58.100 -1.061 0.000 1.182 372 Y CB -0.030 37.873 38.460 -0.927 0.000 0.983 372 Y HN 0.570 nan 8.280 nan 0.000 0.524 373 F N 1.881 121.540 119.950 -0.485 0.000 2.541 373 F HA 0.319 4.845 4.527 -0.002 0.000 0.351 373 F C -0.088 175.371 175.800 -0.568 0.000 1.209 373 F CA -0.284 57.399 58.000 -0.528 0.000 1.277 373 F CB -0.165 38.562 39.000 -0.455 0.000 1.632 373 F HN -0.103 nan 8.300 nan 0.000 0.619 374 S N -0.537 114.926 115.700 -0.396 0.000 2.546 374 S HA 0.339 4.808 4.470 -0.002 0.000 0.272 374 S C -1.176 173.370 174.600 -0.090 0.000 1.140 374 S CA -1.307 56.693 58.200 -0.333 0.000 0.920 374 S CB 1.569 64.596 63.200 -0.288 0.000 1.083 374 S HN 0.200 nan 8.310 nan 0.000 0.476 375 D N 2.875 123.365 120.400 0.150 0.000 2.533 375 D HA 0.188 4.827 4.640 -0.002 0.000 0.236 375 D C 0.332 176.678 176.300 0.077 0.000 1.137 375 D CA 0.828 54.905 54.000 0.129 0.000 0.867 375 D CB 0.768 41.681 40.800 0.188 0.000 1.170 375 D HN 0.704 nan 8.370 nan 0.000 0.474 376 S N 1.896 117.618 115.700 0.036 0.000 2.509 376 S HA 0.612 5.081 4.470 -0.002 0.000 0.297 376 S C 0.231 174.862 174.600 0.053 0.000 1.118 376 S CA -0.960 57.265 58.200 0.042 0.000 1.074 376 S CB 1.622 64.821 63.200 -0.002 0.000 1.038 376 S HN 0.307 nan 8.310 nan 0.000 0.498 377 L N 1.585 122.841 121.223 0.055 0.000 2.657 377 L HA 0.598 4.937 4.340 -0.002 0.000 0.240 377 L C -1.986 174.905 176.870 0.036 0.000 1.151 377 L CA -2.600 52.265 54.840 0.041 0.000 0.831 377 L CB 0.261 42.332 42.059 0.021 0.000 1.539 377 L HN 0.475 nan 8.230 nan 0.000 0.511 378 P HA 0.219 nan 4.420 nan 0.000 0.278 378 P C -2.700 174.608 177.300 0.013 0.000 1.238 378 P CA -1.528 61.594 63.100 0.038 0.000 0.794 378 P CB 0.330 32.060 31.700 0.049 0.000 0.955 379 P HA 0.096 nan 4.420 nan 0.000 0.274 379 P C -0.428 176.840 177.300 -0.054 0.000 1.237 379 P CA -0.106 62.986 63.100 -0.014 0.000 0.793 379 P CB 0.902 32.606 31.700 0.007 0.000 0.977 380 V N -1.420 118.431 119.914 -0.106 0.000 3.046 380 V HA 0.645 4.764 4.120 -0.002 0.000 0.316 380 V C -0.335 175.617 176.094 -0.236 0.000 1.104 380 V CA -1.220 60.990 62.300 -0.150 0.000 1.006 380 V CB 1.841 33.516 31.823 -0.248 0.000 1.058 380 V HN 0.528 nan 8.190 nan 0.000 0.440 381 K N 2.486 122.718 120.400 -0.279 0.000 2.265 381 K HA 0.547 4.865 4.320 -0.002 0.000 0.267 381 K C -0.802 175.597 176.600 -0.336 0.000 0.994 381 K CA -0.803 55.183 56.287 -0.501 0.000 0.860 381 K CB 1.229 33.373 32.500 -0.595 0.000 1.099 381 K HN 0.709 nan 8.250 nan 0.000 0.448 382 I N 5.044 125.416 120.570 -0.330 0.000 2.496 382 I HA -0.001 4.167 4.170 -0.002 0.000 0.285 382 I C 1.316 177.339 176.117 -0.156 0.000 1.080 382 I CA 0.286 61.469 61.300 -0.195 0.000 1.404 382 I CB 0.991 38.949 38.000 -0.071 0.000 1.403 382 I HN 0.822 nan 8.210 nan 0.000 0.539 383 K N 3.816 124.156 120.400 -0.101 0.000 2.009 383 K HA -0.171 4.148 4.320 -0.002 0.000 0.210 383 K C 0.479 177.054 176.600 -0.042 0.000 1.049 383 K CA 1.567 57.809 56.287 -0.075 0.000 0.929 383 K CB -0.013 32.452 32.500 -0.058 0.000 0.714 383 K HN 0.565 nan 8.250 nan 0.000 0.440 384 N N -0.572 118.121 118.700 -0.012 0.000 2.875 384 N HA 0.086 4.825 4.740 -0.002 0.000 0.253 384 N C -0.255 175.255 175.510 0.001 0.000 1.296 384 N CA -0.059 52.988 53.050 -0.004 0.000 0.816 384 N CB 0.533 39.027 38.487 0.012 0.000 1.504 384 N HN -0.095 nan 8.380 nan 0.000 0.582 385 L N 1.935 123.125 121.223 -0.056 0.000 2.353 385 L HA 0.039 4.378 4.340 -0.002 0.000 0.220 385 L C 1.354 178.242 176.870 0.030 0.000 1.133 385 L CA 0.890 55.664 54.840 -0.110 0.000 0.798 385 L CB -0.070 41.827 42.059 -0.269 0.000 0.922 385 L HN 0.585 nan 8.230 nan 0.000 0.445 386 L N -0.933 120.305 121.223 0.026 0.000 2.612 386 L HA 0.061 4.399 4.340 -0.002 0.000 0.230 386 L C 0.390 177.290 176.870 0.049 0.000 1.140 386 L CA 0.077 54.943 54.840 0.042 0.000 0.896 386 L CB -0.250 41.825 42.059 0.027 0.000 1.065 386 L HN 0.120 nan 8.230 nan 0.000 0.447 387 D N 0.418 120.855 120.400 0.061 0.000 2.392 387 D HA 0.059 4.698 4.640 -0.002 0.000 0.228 387 D C 0.574 176.917 176.300 0.073 0.000 1.074 387 D CA -0.223 53.812 54.000 0.059 0.000 0.838 387 D CB 0.857 41.691 40.800 0.057 0.000 1.067 387 D HN 0.016 nan 8.370 nan 0.000 0.511 388 N N 2.387 121.118 118.700 0.051 0.000 2.635 388 N HA -0.101 4.638 4.740 -0.002 0.000 0.191 388 N C 0.678 176.214 175.510 0.043 0.000 1.155 388 N CA 0.596 53.668 53.050 0.037 0.000 0.927 388 N CB 0.455 38.952 38.487 0.016 0.000 0.976 388 N HN 0.648 nan 8.380 nan 0.000 0.448 389 E N -0.352 119.884 120.200 0.060 0.000 2.340 389 E HA 0.088 4.437 4.350 -0.002 0.000 0.194 389 E C 1.231 177.895 176.600 0.108 0.000 0.996 389 E CA 0.176 56.616 56.400 0.067 0.000 0.869 389 E CB 0.550 30.284 29.700 0.056 0.000 0.835 389 E HN 0.215 nan 8.360 nan 0.000 0.493 390 I N -0.470 120.183 120.570 0.137 0.000 3.339 390 I HA 0.055 4.224 4.170 -0.002 0.000 0.285 390 I C -0.029 176.263 176.117 0.292 0.000 1.201 390 I CA 0.581 62.020 61.300 0.230 0.000 1.434 390 I CB 0.262 38.393 38.000 0.219 0.000 1.152 390 I HN -0.026 nan 8.210 nan 0.000 0.443 391 Y N 1.083 121.367 120.300 -0.027 0.000 2.390 391 Y HA 0.383 4.932 4.550 -0.002 0.000 0.324 391 Y C -0.323 175.507 175.900 -0.117 0.000 1.151 391 Y CA -1.088 56.892 58.100 -0.202 0.000 1.053 391 Y CB 1.240 39.431 38.460 -0.448 0.000 1.277 391 Y HN 0.011 nan 8.280 nan 0.000 0.432 392 T N 2.968 117.214 114.554 -0.514 0.000 2.924 392 T HA 0.469 4.818 4.350 -0.002 0.000 0.291 392 T C 0.980 175.390 174.700 -0.483 0.000 1.045 392 T CA -0.721 61.168 62.100 -0.352 0.000 1.015 392 T CB 1.478 70.241 68.868 -0.175 0.000 1.103 392 T HN 0.653 nan 8.240 nan 0.000 0.496 393 I N 0.763 121.189 120.570 -0.241 0.000 2.099 393 I HA -0.158 4.011 4.170 -0.002 0.000 0.239 393 I C 2.846 178.883 176.117 -0.133 0.000 1.066 393 I CA 1.990 63.197 61.300 -0.156 0.000 1.324 393 I CB -0.283 37.682 38.000 -0.059 0.000 1.037 393 I HN 0.942 nan 8.210 nan 0.000 0.401 394 E N 1.063 121.199 120.200 -0.107 0.000 2.051 394 E HA -0.251 4.098 4.350 -0.002 0.000 0.192 394 E C 1.681 178.232 176.600 -0.080 0.000 0.991 394 E CA 1.671 58.024 56.400 -0.078 0.000 0.799 394 E CB 0.085 29.747 29.700 -0.065 0.000 0.748 394 E HN 0.557 nan 8.360 nan 0.000 0.449 395 E N -1.038 119.091 120.200 -0.118 0.000 2.511 395 E HA 0.200 4.549 4.350 -0.002 0.000 0.209 395 E C 0.780 177.313 176.600 -0.111 0.000 0.986 395 E CA 0.123 56.476 56.400 -0.078 0.000 0.974 395 E CB 1.267 30.942 29.700 -0.041 0.000 1.030 395 E HN 0.409 nan 8.360 nan 0.000 0.490 396 G N 1.558 110.135 108.800 -0.372 0.000 2.523 396 G HA2 -0.368 3.591 3.960 -0.002 0.000 0.271 396 G HA3 -0.368 3.591 3.960 -0.002 0.000 0.271 396 G C 0.433 175.138 174.900 -0.325 0.000 1.146 396 G CA 0.313 45.056 45.100 -0.595 0.000 0.961 396 G HN 0.244 nan 8.290 nan 0.000 0.549 397 F N 1.761 121.841 119.950 0.217 0.000 2.582 397 F HA 0.254 4.779 4.527 -0.002 0.000 0.290 397 F C 1.680 177.583 175.800 0.172 0.000 1.115 397 F CA 0.392 58.570 58.000 0.296 0.000 1.445 397 F CB 0.191 39.435 39.000 0.407 0.000 1.126 397 F HN 0.138 nan 8.300 nan 0.000 0.574 398 N N 2.239 121.126 118.700 0.313 0.000 3.193 398 N HA 0.127 4.865 4.740 -0.002 0.000 0.312 398 N C -0.378 175.199 175.510 0.112 0.000 1.261 398 N CA 0.318 53.487 53.050 0.198 0.000 1.208 398 N CB -0.460 38.139 38.487 0.186 0.000 1.471 398 N HN 0.230 nan 8.380 nan 0.000 0.548 399 I N 0.702 121.338 120.570 0.111 0.000 2.471 399 I HA -0.056 4.112 4.170 -0.002 0.000 0.286 399 I C 1.685 177.830 176.117 0.047 0.000 1.079 399 I CA -0.218 61.118 61.300 0.060 0.000 1.398 399 I CB 0.847 38.886 38.000 0.064 0.000 1.403 399 I HN 0.239 nan 8.210 nan 0.000 0.530 400 S N 3.047 118.762 115.700 0.024 0.000 2.383 400 S HA -0.169 4.300 4.470 -0.002 0.000 0.227 400 S C 1.221 175.832 174.600 0.018 0.000 1.026 400 S CA 0.906 59.115 58.200 0.015 0.000 0.981 400 S CB -0.178 63.023 63.200 0.002 0.000 0.818 400 S HN 0.663 nan 8.310 nan 0.000 0.472 401 D N 2.003 122.414 120.400 0.019 0.000 2.218 401 D HA -0.032 4.607 4.640 -0.002 0.000 0.204 401 D C 1.243 177.559 176.300 0.027 0.000 0.976 401 D CA 0.946 54.958 54.000 0.019 0.000 0.853 401 D CB -0.101 40.709 40.800 0.017 0.000 0.939 401 D HN 0.576 nan 8.370 nan 0.000 0.481 402 K N 0.884 121.307 120.400 0.039 0.000 2.437 402 K HA 0.004 4.322 4.320 -0.002 0.000 0.205 402 K C -0.107 176.520 176.600 0.045 0.000 1.026 402 K CA -0.243 56.072 56.287 0.047 0.000 1.153 402 K CB 0.718 33.259 32.500 0.068 0.000 0.863 402 K HN -0.094 nan 8.250 nan 0.000 0.502 403 D N 1.517 121.937 120.400 0.034 0.000 2.802 403 D HA -0.183 4.456 4.640 -0.002 0.000 0.229 403 D C -0.115 176.208 176.300 0.038 0.000 1.203 403 D CA 0.790 54.806 54.000 0.028 0.000 0.712 403 D CB -0.148 40.665 40.800 0.022 0.000 0.973 403 D HN 0.287 nan 8.370 nan 0.000 0.407 404 M N 0.369 119.999 119.600 0.050 0.000 2.747 404 M HA 0.079 4.558 4.480 -0.002 0.000 0.402 404 M C 1.355 177.694 176.300 0.065 0.000 1.238 404 M CA -0.192 55.151 55.300 0.071 0.000 0.877 404 M CB 0.766 33.433 32.600 0.110 0.000 1.424 404 M HN 0.098 nan 8.290 nan 0.000 0.511 405 E N 1.720 121.936 120.200 0.028 0.000 2.099 405 E HA 0.085 4.434 4.350 -0.002 0.000 0.191 405 E C 0.262 176.825 176.600 -0.062 0.000 0.962 405 E CA 0.499 56.899 56.400 0.000 0.000 0.826 405 E CB 0.676 30.369 29.700 -0.011 0.000 0.788 405 E HN 0.278 nan 8.360 nan 0.000 0.461 406 K N 1.338 121.704 120.400 -0.056 0.000 2.448 406 K HA -0.027 4.291 4.320 -0.002 0.000 0.278 406 K C -0.347 176.191 176.600 -0.104 0.000 1.009 406 K CA 0.690 56.922 56.287 -0.092 0.000 0.995 406 K CB 0.413 32.885 32.500 -0.046 0.000 0.917 406 K HN 0.148 nan 8.250 nan 0.000 0.481 407 E N 1.575 121.656 120.200 -0.199 0.000 2.660 407 E HA -0.300 4.049 4.350 -0.002 0.000 0.260 407 E C -0.922 175.687 176.600 0.014 0.000 1.122 407 E CA 0.812 57.133 56.400 -0.132 0.000 0.755 407 E CB -1.783 27.934 29.700 0.027 0.000 1.345 407 E HN 0.732 nan 8.360 nan 0.000 0.421 408 Y N -2.945 117.407 120.300 0.087 0.000 4.079 408 Y HA -0.364 4.185 4.550 -0.002 0.000 0.223 408 Y C 1.706 177.705 175.900 0.165 0.000 1.155 408 Y CA 1.063 59.229 58.100 0.111 0.000 1.805 408 Y CB -1.955 36.535 38.460 0.049 0.000 1.571 408 Y HN 0.225 nan 8.280 nan 0.000 0.654 409 R N 0.073 120.689 120.500 0.193 0.000 2.154 409 R HA -0.199 4.140 4.340 -0.002 0.000 0.248 409 R C 2.463 178.813 176.300 0.083 0.000 1.155 409 R CA 1.437 57.610 56.100 0.121 0.000 0.979 409 R CB -0.625 29.719 30.300 0.074 0.000 0.869 409 R HN 0.611 nan 8.270 nan 0.000 0.452 410 G N 0.400 109.278 108.800 0.130 0.000 2.479 410 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.220 410 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.220 410 G C 1.112 175.989 174.900 -0.037 0.000 1.115 410 G CA 0.400 45.597 45.100 0.162 0.000 0.757 410 G HN 0.400 nan 8.290 nan 0.000 0.560 411 Q N -0.482 119.182 119.800 -0.226 0.000 2.319 411 Q HA 0.104 4.443 4.340 -0.002 0.000 0.209 411 Q C 0.503 175.881 176.000 -1.036 0.000 0.884 411 Q CA -0.528 54.680 55.803 -0.991 0.000 0.938 411 Q CB 0.358 28.841 28.738 -0.426 0.000 1.098 411 Q HN 0.286 nan 8.270 nan 0.000 0.517 412 N N 1.792 120.180 118.700 -0.520 0.000 2.483 412 N HA -0.027 4.711 4.740 -0.002 0.000 0.264 412 N C 0.409 175.699 175.510 -0.366 0.000 1.197 412 N CA 0.493 53.104 53.050 -0.731 0.000 0.927 412 N CB 0.900 39.093 38.487 -0.490 0.000 1.065 412 N HN 0.094 nan 8.380 nan 0.000 0.461 413 K N 2.590 122.774 120.400 -0.359 0.000 2.103 413 K HA -0.018 4.301 4.320 -0.002 0.000 0.204 413 K C 1.553 178.220 176.600 0.110 0.000 1.052 413 K CA 1.169 57.440 56.287 -0.028 0.000 0.945 413 K CB 0.015 32.407 32.500 -0.180 0.000 0.722 413 K HN 0.610 nan 8.250 nan 0.000 0.443 414 A N 0.804 123.596 122.820 -0.047 0.000 2.119 414 A HA -0.028 4.291 4.320 -0.002 0.000 0.217 414 A C 1.856 179.445 177.584 0.008 0.000 1.153 414 A CA 1.018 53.051 52.037 -0.008 0.000 0.692 414 A CB -0.329 18.642 19.000 -0.048 0.000 0.799 414 A HN 0.164 nan 8.150 nan 0.000 0.458 415 I N -1.786 118.784 120.570 0.001 0.000 2.947 415 I HA 0.050 4.219 4.170 -0.002 0.000 0.263 415 I C 0.697 176.855 176.117 0.069 0.000 1.130 415 I CA 0.239 61.552 61.300 0.021 0.000 1.448 415 I CB 0.139 38.136 38.000 -0.004 0.000 1.222 415 I HN 0.172 nan 8.210 nan 0.000 0.453 416 N N 1.654 120.434 118.700 0.133 0.000 3.301 416 N HA 0.125 4.864 4.740 -0.002 0.000 0.289 416 N C 0.500 176.141 175.510 0.219 0.000 1.343 416 N CA 0.108 53.271 53.050 0.190 0.000 1.136 416 N CB 0.176 38.815 38.487 0.253 0.000 1.402 416 N HN 0.075 nan 8.380 nan 0.000 0.516 417 K N -0.182 120.243 120.400 0.041 0.000 2.432 417 K HA -0.055 4.264 4.320 -0.002 0.000 0.196 417 K C 1.505 177.914 176.600 -0.319 0.000 1.038 417 K CA 0.540 56.677 56.287 -0.250 0.000 0.986 417 K CB 0.311 32.705 32.500 -0.176 0.000 0.782 417 K HN 0.548 nan 8.250 nan 0.000 0.485 418 Q N -0.240 119.487 119.800 -0.121 0.000 2.432 418 Q HA 0.064 4.403 4.340 -0.002 0.000 0.205 418 Q C 1.463 177.419 176.000 -0.074 0.000 0.945 418 Q CA 0.886 56.635 55.803 -0.090 0.000 0.924 418 Q CB 0.223 28.954 28.738 -0.011 0.000 1.016 418 Q HN 0.173 nan 8.270 nan 0.000 0.503 419 A N 0.315 123.103 122.820 -0.054 0.000 2.147 419 A HA 0.220 4.539 4.320 -0.002 0.000 0.211 419 A C 0.379 177.889 177.584 -0.123 0.000 1.160 419 A CA 0.267 52.315 52.037 0.020 0.000 0.781 419 A CB -0.016 19.097 19.000 0.188 0.000 0.842 419 A HN 0.562 nan 8.150 nan 0.000 0.475 420 Y N -3.102 117.015 120.300 -0.305 0.000 2.677 420 Y HA 0.802 5.351 4.550 -0.002 0.000 0.334 420 Y C -0.969 174.787 175.900 -0.240 0.000 1.154 420 Y CA -1.624 56.244 58.100 -0.386 0.000 1.070 420 Y CB 0.770 38.817 38.460 -0.688 0.000 1.294 420 Y HN -0.012 nan 8.280 nan 0.000 0.475 421 E N 0.969 121.111 120.200 -0.097 0.000 2.293 421 E HA 0.240 4.589 4.350 -0.002 0.000 0.270 421 E C -1.210 175.424 176.600 0.056 0.000 0.879 421 E CA -1.150 55.191 56.400 -0.097 0.000 0.756 421 E CB 2.270 31.911 29.700 -0.098 0.000 1.208 421 E HN 0.537 nan 8.360 nan 0.000 0.428 422 E N 2.088 122.324 120.200 0.059 0.000 2.390 422 E HA 0.206 4.555 4.350 -0.002 0.000 0.261 422 E C 0.148 176.772 176.600 0.040 0.000 1.076 422 E CA -0.058 56.390 56.400 0.080 0.000 0.905 422 E CB 0.897 30.641 29.700 0.073 0.000 0.984 422 E HN 0.449 nan 8.360 nan 0.000 0.427 423 I N -2.022 118.573 120.570 0.041 0.000 2.562 423 I HA 0.293 4.462 4.170 -0.002 0.000 0.301 423 I C 0.353 176.554 176.117 0.139 0.000 1.003 423 I CA -0.837 60.504 61.300 0.069 0.000 1.127 423 I CB 1.955 39.936 38.000 -0.033 0.000 1.304 423 I HN 0.162 nan 8.210 nan 0.000 0.446 424 S N 4.432 120.255 115.700 0.206 0.000 2.780 424 S HA 0.001 4.470 4.470 -0.002 0.000 0.339 424 S C 1.134 175.821 174.600 0.145 0.000 1.183 424 S CA 0.008 58.295 58.200 0.145 0.000 1.358 424 S CB -0.325 62.946 63.200 0.118 0.000 1.167 424 S HN 0.792 nan 8.310 nan 0.000 0.556 425 K N 3.290 123.746 120.400 0.094 0.000 2.228 425 K HA -0.148 4.171 4.320 -0.002 0.000 0.205 425 K C 1.177 177.815 176.600 0.064 0.000 1.045 425 K CA 1.445 57.789 56.287 0.095 0.000 0.931 425 K CB -0.039 32.498 32.500 0.061 0.000 0.727 425 K HN 0.703 nan 8.250 nan 0.000 0.458 426 E N 0.249 120.431 120.200 -0.031 0.000 2.357 426 E HA -0.102 4.247 4.350 -0.002 0.000 0.194 426 E C 0.199 176.696 176.600 -0.170 0.000 1.177 426 E CA 0.295 56.624 56.400 -0.118 0.000 0.998 426 E CB 0.077 29.653 29.700 -0.205 0.000 1.106 426 E HN 0.356 nan 8.360 nan 0.000 0.470 427 H N -1.423 117.702 119.070 0.091 0.000 3.650 427 H HA 0.231 4.786 4.556 -0.002 0.000 0.260 427 H C -0.040 175.359 175.328 0.118 0.000 1.194 427 H CA -0.103 55.983 56.048 0.063 0.000 1.135 427 H CB 0.595 30.401 29.762 0.073 0.000 1.612 427 H HN 0.032 nan 8.280 nan 0.000 0.703 428 L N 0.797 122.180 121.223 0.266 0.000 2.360 428 L HA 0.689 5.028 4.340 -0.002 0.000 0.271 428 L C 0.194 177.169 176.870 0.175 0.000 1.057 428 L CA -0.976 54.010 54.840 0.245 0.000 0.803 428 L CB 1.604 43.788 42.059 0.209 0.000 1.207 428 L HN 0.031 nan 8.230 nan 0.000 0.445 429 A N 2.377 125.315 122.820 0.197 0.000 2.356 429 A HA 0.805 5.124 4.320 -0.002 0.000 0.310 429 A C -1.147 176.526 177.584 0.147 0.000 1.075 429 A CA -0.472 51.651 52.037 0.144 0.000 0.746 429 A CB 1.646 20.737 19.000 0.152 0.000 1.221 429 A HN 0.368 nan 8.150 nan 0.000 0.443 430 V N 2.408 122.392 119.914 0.116 0.000 2.577 430 V HA 0.260 4.379 4.120 -0.002 0.000 0.303 430 V C -0.941 175.236 176.094 0.139 0.000 1.042 430 V CA -0.625 61.748 62.300 0.122 0.000 0.872 430 V CB 1.476 33.351 31.823 0.087 0.000 0.998 430 V HN 0.844 nan 8.190 nan 0.000 0.423 431 Y N 5.434 125.751 120.300 0.029 0.000 2.496 431 Y HA 0.433 4.982 4.550 -0.002 0.000 0.334 431 Y C 0.222 176.123 175.900 0.001 0.000 1.080 431 Y CA 0.084 58.191 58.100 0.010 0.000 1.355 431 Y CB 0.312 38.781 38.460 0.015 0.000 1.193 431 Y HN 0.621 nan 8.280 nan 0.000 0.523 432 K N 6.051 126.182 120.400 -0.448 0.000 2.352 432 K HA 0.588 4.907 4.320 -0.002 0.000 0.240 432 K C -1.506 174.739 176.600 -0.593 0.000 1.017 432 K CA -1.163 54.862 56.287 -0.437 0.000 0.851 432 K CB 1.958 34.335 32.500 -0.204 0.000 1.261 432 K HN 0.429 nan 8.250 nan 0.000 0.451 433 I N 2.140 122.464 120.570 -0.410 0.000 2.410 433 I HA 0.181 4.350 4.170 -0.002 0.000 0.286 433 I C -0.408 175.557 176.117 -0.253 0.000 1.009 433 I CA -0.400 60.695 61.300 -0.341 0.000 1.111 433 I CB 1.386 39.207 38.000 -0.298 0.000 1.262 433 I HN 0.639 nan 8.210 nan 0.000 0.443 434 Q N 7.195 126.854 119.800 -0.235 0.000 2.337 434 Q HA 0.389 4.728 4.340 -0.002 0.000 0.255 434 Q C -0.810 175.047 176.000 -0.239 0.000 0.997 434 Q CA -0.374 55.301 55.803 -0.214 0.000 0.925 434 Q CB 0.818 29.437 28.738 -0.199 0.000 1.212 434 Q HN 0.521 nan 8.270 nan 0.000 0.436 435 M N 3.927 123.406 119.600 -0.201 0.000 2.094 435 M HA 0.287 4.766 4.480 -0.002 0.000 0.348 435 M C -0.814 175.382 176.300 -0.173 0.000 1.267 435 M CA -0.484 54.710 55.300 -0.177 0.000 1.125 435 M CB 0.178 32.719 32.600 -0.098 0.000 1.527 435 M HN 0.558 nan 8.290 nan 0.000 0.447 436 c N 2.904 121.381 118.600 -0.205 0.000 2.399 436 c HA 0.564 5.133 4.570 -0.002 0.000 0.348 436 c C 0.637 174.739 174.090 0.020 0.000 1.183 436 c CA -0.947 55.321 56.329 -0.101 0.000 2.023 436 c CB 1.761 44.206 42.510 -0.109 0.000 2.361 436 c HN 0.752 nan 8.230 nan 0.000 0.521 437 K N 1.196 121.625 120.400 0.049 0.000 2.139 437 K HA 0.740 5.059 4.320 -0.002 0.000 0.243 437 K C -0.239 176.418 176.600 0.095 0.000 0.983 437 K CA 0.001 56.322 56.287 0.057 0.000 0.890 437 K CB 1.516 34.026 32.500 0.016 0.000 1.090 437 K HN 0.910 nan 8.250 nan 0.000 0.445 444 I N -0.072 120.478 120.570 -0.032 0.000 6.282 444 I HA -0.245 3.923 4.170 -0.002 0.000 0.126 444 I C -0.405 175.668 176.117 -0.073 0.000 1.399 444 I CA 0.628 61.896 61.300 -0.054 0.000 2.516 444 I CB -1.148 36.817 38.000 -0.058 0.000 2.632 444 I HN 0.734 nan 8.210 nan 0.000 0.293 445 c N 7.745 126.280 118.600 -0.108 0.000 2.898 445 c HA 0.740 5.308 4.570 -0.002 0.000 0.304 445 c C 0.200 174.149 174.090 -0.235 0.000 1.237 445 c CA -0.777 55.464 56.329 -0.148 0.000 1.529 445 c CB 1.979 44.412 42.510 -0.128 0.000 2.021 445 c HN 0.595 nan 8.230 nan 0.000 0.474 446 I N 1.645 122.052 120.570 -0.271 0.000 2.498 446 I HA 0.309 4.478 4.170 -0.002 0.000 0.290 446 I C -0.985 175.000 176.117 -0.221 0.000 1.032 446 I CA -0.167 60.908 61.300 -0.375 0.000 1.073 446 I CB 1.660 39.348 38.000 -0.520 0.000 1.251 446 I HN 0.552 nan 8.210 nan 0.000 0.426 447 D N 5.657 125.961 120.400 -0.160 0.000 2.249 447 D HA 0.410 5.049 4.640 -0.002 0.000 0.246 447 D C -0.619 175.641 176.300 -0.067 0.000 1.114 447 D CA -0.007 53.927 54.000 -0.111 0.000 0.854 447 D CB 2.507 43.264 40.800 -0.071 0.000 1.132 447 D HN 0.042 nan 8.370 nan 0.000 0.461 448 V N 2.820 122.668 119.914 -0.110 0.000 2.656 448 V HA 0.139 4.258 4.120 -0.002 0.000 0.307 448 V C -0.251 175.779 176.094 -0.106 0.000 1.051 448 V CA -0.987 61.265 62.300 -0.080 0.000 0.893 448 V CB 2.349 34.053 31.823 -0.200 0.000 0.999 448 V HN 0.372 nan 8.190 nan 0.000 0.426 449 D N 3.129 123.512 120.400 -0.028 0.000 2.343 449 D HA 0.080 4.719 4.640 -0.002 0.000 0.255 449 D C 1.090 177.378 176.300 -0.021 0.000 1.187 449 D CA 0.167 54.153 54.000 -0.024 0.000 0.875 449 D CB 1.011 41.834 40.800 0.038 0.000 1.136 449 D HN 0.601 nan 8.370 nan 0.000 0.469 450 N N 2.664 121.332 118.700 -0.053 0.000 2.187 450 N HA -0.266 4.473 4.740 -0.002 0.000 0.194 450 N C 1.078 176.644 175.510 0.093 0.000 1.002 450 N CA 1.613 54.678 53.050 0.024 0.000 0.882 450 N CB 0.196 38.799 38.487 0.193 0.000 1.003 450 N HN 0.472 nan 8.380 nan 0.000 0.443 451 E N -0.549 119.707 120.200 0.095 0.000 2.085 451 E HA -0.186 4.163 4.350 -0.002 0.000 0.194 451 E C 0.967 177.633 176.600 0.109 0.000 0.994 451 E CA 1.285 57.745 56.400 0.099 0.000 0.801 451 E CB -0.179 29.570 29.700 0.082 0.000 0.743 451 E HN 0.536 nan 8.360 nan 0.000 0.453 452 D N 0.568 121.031 120.400 0.105 0.000 2.348 452 D HA -0.013 4.626 4.640 -0.002 0.000 0.216 452 D C 0.952 177.345 176.300 0.155 0.000 0.970 452 D CA 0.476 54.551 54.000 0.125 0.000 0.889 452 D CB 0.086 40.990 40.800 0.173 0.000 0.912 452 D HN 0.134 nan 8.370 nan 0.000 0.524 453 L N 0.067 121.390 121.223 0.167 0.000 2.475 453 L HA 0.130 4.469 4.340 -0.002 0.000 0.250 453 L C 0.442 177.409 176.870 0.161 0.000 1.224 453 L CA -0.448 54.544 54.840 0.253 0.000 0.821 453 L CB 0.051 42.210 42.059 0.167 0.000 1.141 453 L HN -0.208 nan 8.230 nan 0.000 0.494 454 F N 0.396 120.526 119.950 0.300 0.000 2.427 454 F HA 0.187 4.713 4.527 -0.002 0.000 0.352 454 F C 0.123 176.030 175.800 0.178 0.000 1.100 454 F CA 0.029 58.166 58.000 0.228 0.000 1.191 454 F CB 0.377 39.501 39.000 0.207 0.000 1.128 454 F HN 0.107 nan 8.300 nan 0.000 0.533 455 F N 5.276 125.377 119.950 0.252 0.000 2.404 455 F HA 0.669 5.195 4.527 -0.002 0.000 0.354 455 F C -0.855 175.016 175.800 0.118 0.000 1.122 455 F CA -0.851 57.254 58.000 0.174 0.000 1.080 455 F CB 0.362 39.478 39.000 0.193 0.000 1.131 455 F HN 0.248 nan 8.300 nan 0.000 0.471 456 I N 6.380 126.585 120.570 -0.609 0.000 2.500 456 I HA 0.395 4.564 4.170 -0.002 0.000 0.286 456 I C -0.309 175.533 176.117 -0.458 0.000 1.063 456 I CA -0.984 60.122 61.300 -0.323 0.000 1.062 456 I CB 1.771 39.676 38.000 -0.159 0.000 1.223 456 I HN 0.737 nan 8.210 nan 0.000 0.435 457 A N 4.998 127.723 122.820 -0.159 0.000 2.524 457 A HA 0.074 4.393 4.320 -0.002 0.000 0.250 457 A C 0.157 177.773 177.584 0.053 0.000 1.078 457 A CA 0.100 52.139 52.037 0.005 0.000 0.761 457 A CB 0.111 19.297 19.000 0.310 0.000 1.012 457 A HN 0.789 nan 8.150 nan 0.000 0.500 458 D N 1.680 122.062 120.400 -0.030 0.000 2.360 458 D HA 0.019 4.658 4.640 -0.002 0.000 0.242 458 D C 1.037 177.424 176.300 0.145 0.000 1.184 458 D CA -0.122 53.888 54.000 0.017 0.000 0.930 458 D CB 0.690 41.463 40.800 -0.044 0.000 1.161 458 D HN 0.606 nan 8.370 nan 0.000 0.447 459 K N 1.225 121.732 120.400 0.180 0.000 2.147 459 K HA -0.125 4.194 4.320 -0.002 0.000 0.205 459 K C 1.505 178.223 176.600 0.196 0.000 1.049 459 K CA 0.777 57.230 56.287 0.277 0.000 0.936 459 K CB 0.062 32.671 32.500 0.181 0.000 0.722 459 K HN 0.381 nan 8.250 nan 0.000 0.446 460 N N 0.546 119.279 118.700 0.054 0.000 2.430 460 N HA -0.114 4.625 4.740 -0.002 0.000 0.186 460 N C 1.332 176.769 175.510 -0.121 0.000 1.032 460 N CA 1.036 54.080 53.050 -0.010 0.000 0.893 460 N CB -0.062 38.410 38.487 -0.024 0.000 0.957 460 N HN 0.131 nan 8.380 nan 0.000 0.442 461 S N 0.086 115.596 115.700 -0.316 0.000 2.474 461 S HA 0.014 4.483 4.470 -0.002 0.000 0.235 461 S C 0.319 174.397 174.600 -0.869 0.000 0.997 461 S CA 0.647 58.441 58.200 -0.676 0.000 0.949 461 S CB -0.050 62.551 63.200 -0.998 0.000 0.766 461 S HN 0.191 nan 8.310 nan 0.000 0.517 462 F N 1.060 121.030 119.950 0.032 0.000 2.469 462 F HA 0.495 5.021 4.527 -0.002 0.000 0.332 462 F C 0.617 176.431 175.800 0.022 0.000 1.103 462 F CA -1.235 56.783 58.000 0.030 0.000 0.979 462 F CB 0.942 39.959 39.000 0.029 0.000 1.137 462 F HN -0.217 nan 8.300 nan 0.000 0.463 463 S N 0.715 116.516 115.700 0.169 0.000 2.560 463 S HA -0.035 4.434 4.470 -0.002 0.000 0.284 463 S C 0.603 175.256 174.600 0.088 0.000 1.327 463 S CA -0.213 58.047 58.200 0.099 0.000 1.055 463 S CB 0.302 63.552 63.200 0.083 0.000 0.868 463 S HN 0.721 nan 8.310 nan 0.000 0.506 464 D N 1.393 121.826 120.400 0.055 0.000 2.363 464 D HA 0.121 4.760 4.640 -0.002 0.000 0.214 464 D C 0.515 176.826 176.300 0.018 0.000 1.093 464 D CA -0.031 53.991 54.000 0.037 0.000 0.837 464 D CB 0.063 40.883 40.800 0.033 0.000 0.948 464 D HN 0.567 nan 8.370 nan 0.000 0.507 465 D N 0.299 120.710 120.400 0.018 0.000 2.357 465 D HA -0.129 4.510 4.640 -0.002 0.000 0.216 465 D C 1.970 178.260 176.300 -0.016 0.000 0.973 465 D CA 0.352 54.354 54.000 0.003 0.000 0.912 465 D CB 0.234 41.038 40.800 0.007 0.000 0.900 465 D HN 0.371 nan 8.370 nan 0.000 0.501 466 L N 0.439 121.648 121.223 -0.023 0.000 2.395 466 L HA -0.059 4.280 4.340 -0.002 0.000 0.218 466 L C 1.979 178.816 176.870 -0.055 0.000 1.130 466 L CA 0.618 55.424 54.840 -0.058 0.000 0.826 466 L CB -0.072 41.939 42.059 -0.081 0.000 0.941 466 L HN 0.017 nan 8.230 nan 0.000 0.451 467 S N -1.887 113.799 115.700 -0.023 0.000 2.575 467 S HA 0.109 4.578 4.470 -0.002 0.000 0.215 467 S C 0.702 175.311 174.600 0.015 0.000 0.966 467 S CA -0.430 57.768 58.200 -0.004 0.000 0.911 467 S CB 0.015 63.218 63.200 0.004 0.000 0.780 467 S HN 0.232 nan 8.310 nan 0.000 0.514 468 K N 1.267 121.670 120.400 0.006 0.000 2.127 468 K HA 0.375 4.694 4.320 -0.002 0.000 0.240 468 K C -0.495 176.118 176.600 0.021 0.000 1.024 468 K CA -0.662 55.631 56.287 0.009 0.000 0.918 468 K CB 0.249 32.744 32.500 -0.009 0.000 1.108 468 K HN 0.172 nan 8.250 nan 0.000 0.485 469 N N 0.852 119.558 118.700 0.010 0.000 2.458 469 N HA 0.175 4.914 4.740 -0.002 0.000 0.271 469 N C -1.066 174.380 175.510 -0.108 0.000 1.210 469 N CA -0.406 52.647 53.050 0.006 0.000 0.978 469 N CB 0.736 39.236 38.487 0.021 0.000 1.206 469 N HN 0.298 nan 8.380 nan 0.000 0.536 470 E N 0.805 120.862 120.200 -0.238 0.000 2.409 470 E HA 0.174 4.523 4.350 -0.002 0.000 0.259 470 E C -0.895 175.486 176.600 -0.366 0.000 0.932 470 E CA -0.470 55.681 56.400 -0.416 0.000 0.809 470 E CB 1.264 30.456 29.700 -0.846 0.000 1.341 470 E HN 0.382 nan 8.360 nan 0.000 0.405 471 R N 2.572 122.953 120.500 -0.199 0.000 2.370 471 R HA 0.280 4.618 4.340 -0.002 0.000 0.309 471 R C 0.293 176.504 176.300 -0.149 0.000 1.059 471 R CA -0.110 55.913 56.100 -0.128 0.000 0.981 471 R CB 0.635 30.895 30.300 -0.067 0.000 0.972 471 R HN 0.314 nan 8.270 nan 0.000 0.437 472 I N 3.847 124.342 120.570 -0.125 0.000 2.377 472 I HA 0.218 4.387 4.170 -0.002 0.000 0.293 472 I C 0.627 176.726 176.117 -0.029 0.000 0.987 472 I CA -0.300 60.944 61.300 -0.093 0.000 1.185 472 I CB 1.351 39.313 38.000 -0.063 0.000 1.341 472 I HN 0.746 nan 8.210 nan 0.000 0.455 473 E N 5.775 125.973 120.200 -0.003 0.000 2.450 473 E HA 0.261 4.610 4.350 -0.002 0.000 0.272 473 E C -0.059 176.600 176.600 0.097 0.000 0.967 473 E CA -0.637 55.815 56.400 0.086 0.000 0.818 473 E CB 0.994 30.761 29.700 0.111 0.000 1.401 473 E HN 0.528 nan 8.360 nan 0.000 0.450 474 Y N -0.232 120.080 120.300 0.019 0.000 2.569 474 Y HA 0.018 4.567 4.550 -0.002 0.000 0.293 474 Y C 1.245 177.156 175.900 0.019 0.000 1.144 474 Y CA 1.422 59.537 58.100 0.025 0.000 1.321 474 Y CB -0.383 38.096 38.460 0.031 0.000 0.982 474 Y HN 0.380 nan 8.280 nan 0.000 0.558 475 N N 0.025 118.346 118.700 -0.631 0.000 2.278 475 N HA -0.035 4.703 4.740 -0.002 0.000 0.181 475 N C -0.017 175.350 175.510 -0.238 0.000 1.023 475 N CA 0.604 53.313 53.050 -0.568 0.000 0.862 475 N CB 0.018 38.162 38.487 -0.572 0.000 1.003 475 N HN 0.141 nan 8.380 nan 0.000 0.431 476 T N 2.898 117.358 114.554 -0.157 0.000 2.718 476 T HA -0.104 4.245 4.350 -0.002 0.000 0.265 476 T C 0.105 174.768 174.700 -0.061 0.000 1.014 476 T CA 0.642 62.684 62.100 -0.096 0.000 1.172 476 T CB 0.138 68.958 68.868 -0.080 0.000 1.007 476 T HN 0.260 nan 8.240 nan 0.000 0.500 477 Q N 1.444 121.214 119.800 -0.050 0.000 2.445 477 Q HA 0.595 4.934 4.340 -0.002 0.000 0.281 477 Q C -0.338 175.662 176.000 0.000 0.000 1.101 477 Q CA -1.134 54.662 55.803 -0.012 0.000 0.833 477 Q CB 1.530 30.262 28.738 -0.010 0.000 1.416 477 Q HN 0.602 nan 8.270 nan 0.000 0.451 478 S N 1.500 117.232 115.700 0.052 0.000 2.572 478 S HA 0.300 4.769 4.470 -0.002 0.000 0.279 478 S C -0.357 174.252 174.600 0.014 0.000 1.341 478 S CA -0.508 57.739 58.200 0.078 0.000 1.043 478 S CB 0.130 63.510 63.200 0.299 0.000 0.887 478 S HN 0.616 nan 8.310 nan 0.000 0.516 479 N N 1.867 120.451 118.700 -0.194 0.000 2.504 479 N HA 0.375 5.114 4.740 -0.002 0.000 0.280 479 N C -1.947 173.289 175.510 -0.458 0.000 1.052 479 N CA -0.248 52.665 53.050 -0.228 0.000 0.887 479 N CB 1.209 39.569 38.487 -0.213 0.000 1.323 479 N HN 0.685 nan 8.380 nan 0.000 0.509 480 Y N 1.001 121.258 120.300 -0.072 0.000 2.386 480 Y HA 0.496 5.045 4.550 -0.002 0.000 0.334 480 Y C -0.003 175.844 175.900 -0.089 0.000 1.002 480 Y CA -0.708 57.359 58.100 -0.055 0.000 1.068 480 Y CB 2.035 40.478 38.460 -0.028 0.000 1.203 480 Y HN 0.326 nan 8.280 nan 0.000 0.443 481 I N 3.070 123.675 120.570 0.059 0.000 2.388 481 I HA 0.199 4.368 4.170 -0.002 0.000 0.281 481 I C -0.159 175.971 176.117 0.023 0.000 1.046 481 I CA -0.490 60.833 61.300 0.037 0.000 1.187 481 I CB 1.122 39.157 38.000 0.059 0.000 1.351 481 I HN 0.618 nan 8.210 nan 0.000 0.472 482 E N 5.908 126.105 120.200 -0.005 0.000 2.220 482 E HA 0.052 4.401 4.350 -0.002 0.000 0.272 482 E C -0.109 176.252 176.600 -0.398 0.000 1.099 482 E CA -0.419 55.912 56.400 -0.116 0.000 0.907 482 E CB 0.499 30.158 29.700 -0.068 0.000 1.022 482 E HN 0.421 nan 8.360 nan 0.000 0.428 483 N N 5.029 123.385 118.700 -0.573 0.000 3.059 483 N HA 0.005 4.744 4.740 -0.002 0.000 0.321 483 N C -1.090 173.969 175.510 -0.753 0.000 1.224 483 N CA 0.567 52.889 53.050 -1.214 0.000 1.197 483 N CB -0.040 38.104 38.487 -0.571 0.000 1.453 483 N HN 0.475 nan 8.380 nan 0.000 0.544 484 D N -0.115 119.964 120.400 -0.535 0.000 2.648 484 D HA 0.372 5.011 4.640 -0.002 0.000 0.244 484 D C -1.667 174.738 176.300 0.176 0.000 1.244 484 D CA -0.456 53.486 54.000 -0.097 0.000 0.772 484 D CB 1.597 42.342 40.800 -0.091 0.000 1.379 484 D HN -0.014 nan 8.370 nan 0.000 0.428 485 F N 1.808 121.770 119.950 0.021 0.000 2.651 485 F HA 0.357 4.883 4.527 -0.002 0.000 0.329 485 F C -2.515 173.271 175.800 -0.025 0.000 1.186 485 F CA -1.345 56.671 58.000 0.027 0.000 1.046 485 F CB 2.003 41.038 39.000 0.058 0.000 1.296 485 F HN -0.033 nan 8.300 nan 0.000 0.497 486 P HA 0.178 nan 4.420 nan 0.000 0.263 486 P C 1.209 178.331 177.300 -0.296 0.000 1.276 486 P CA 0.424 63.299 63.100 -0.374 0.000 0.986 486 P CB 0.296 31.754 31.700 -0.403 0.000 1.105 487 I N 2.741 123.257 120.570 -0.090 0.000 2.700 487 I HA -0.255 3.914 4.170 -0.002 0.000 0.261 487 I C 1.433 177.514 176.117 -0.060 0.000 1.219 487 I CA 1.213 62.494 61.300 -0.032 0.000 1.463 487 I CB 0.014 37.993 38.000 -0.035 0.000 1.092 487 I HN 0.322 nan 8.210 nan 0.000 0.452 488 N N 0.597 119.246 118.700 -0.085 0.000 2.188 488 N HA -0.241 4.497 4.740 -0.002 0.000 0.184 488 N C 1.667 177.140 175.510 -0.063 0.000 1.018 488 N CA 1.491 54.500 53.050 -0.069 0.000 0.858 488 N CB 0.014 38.458 38.487 -0.071 0.000 0.989 488 N HN 0.589 nan 8.380 nan 0.000 0.426 489 E N 0.920 121.066 120.200 -0.090 0.000 2.230 489 E HA -0.111 4.238 4.350 -0.002 0.000 0.192 489 E C 2.007 178.612 176.600 0.008 0.000 0.987 489 E CA 0.375 56.740 56.400 -0.058 0.000 0.841 489 E CB -0.162 29.476 29.700 -0.104 0.000 0.783 489 E HN 0.176 nan 8.360 nan 0.000 0.481 490 L N 1.381 122.633 121.223 0.049 0.000 2.265 490 L HA 0.003 4.341 4.340 -0.002 0.000 0.215 490 L C 1.889 178.771 176.870 0.021 0.000 1.117 490 L CA 1.433 56.341 54.840 0.114 0.000 0.782 490 L CB -0.134 42.014 42.059 0.147 0.000 0.914 490 L HN 0.207 nan 8.230 nan 0.000 0.441 491 I N -0.708 119.859 120.570 -0.005 0.000 3.419 491 I HA -0.053 4.116 4.170 -0.002 0.000 0.286 491 I C 0.213 176.333 176.117 0.005 0.000 1.268 491 I CA 0.084 61.380 61.300 -0.006 0.000 1.414 491 I CB -0.038 37.947 38.000 -0.025 0.000 1.074 491 I HN 0.034 nan 8.210 nan 0.000 0.457 492 L N 1.808 123.036 121.223 0.009 0.000 2.277 492 L HA 0.328 4.667 4.340 -0.002 0.000 0.284 492 L C 0.225 177.111 176.870 0.027 0.000 1.028 492 L CA -0.516 54.330 54.840 0.010 0.000 0.835 492 L CB 0.546 42.605 42.059 0.000 0.000 1.215 492 L HN 0.094 nan 8.230 nan 0.000 0.425 493 D N 2.116 122.534 120.400 0.029 0.000 2.450 493 D HA 0.496 5.135 4.640 -0.002 0.000 0.247 493 D C 0.724 177.046 176.300 0.036 0.000 1.162 493 D CA 0.892 54.914 54.000 0.037 0.000 0.879 493 D CB 1.215 42.034 40.800 0.032 0.000 1.163 493 D HN 0.912 nan 8.370 nan 0.000 0.472 494 T N -1.953 112.628 114.554 0.046 0.000 3.759 494 T HA 0.408 4.757 4.350 -0.002 0.000 0.245 494 T C 1.686 176.420 174.700 0.057 0.000 0.867 494 T CA 1.705 63.834 62.100 0.047 0.000 1.116 494 T CB -0.507 68.389 68.868 0.047 0.000 1.028 494 T HN 0.654 nan 8.240 nan 0.000 0.381 495 D N 0.827 121.268 120.400 0.069 0.000 2.278 495 D HA 0.521 5.159 4.640 -0.002 0.000 0.228 495 D C 2.608 178.951 176.300 0.071 0.000 1.020 495 D CA 2.585 56.632 54.000 0.077 0.000 0.922 495 D CB -1.367 39.490 40.800 0.095 0.000 1.051 495 D HN 1.269 nan 8.370 nan 0.000 0.452 496 L N 0.514 121.783 121.223 0.076 0.000 2.321 496 L HA -0.105 4.234 4.340 -0.002 0.000 0.251 496 L C 1.823 178.729 176.870 0.059 0.000 1.099 496 L CA 2.023 56.905 54.840 0.071 0.000 0.828 496 L CB -1.949 40.167 42.059 0.094 0.000 0.962 496 L HN 0.600 nan 8.230 nan 0.000 0.426 497 I N 0.990 121.594 120.570 0.057 0.000 2.821 497 I HA 0.145 4.314 4.170 -0.002 0.000 0.294 497 I C 1.030 177.165 176.117 0.029 0.000 1.210 497 I CA 1.204 62.528 61.300 0.040 0.000 1.430 497 I CB 0.722 38.745 38.000 0.038 0.000 1.356 497 I HN 0.782 nan 8.210 nan 0.000 0.563 498 S N 7.640 123.349 115.700 0.015 0.000 2.513 498 S HA 0.243 4.711 4.470 -0.002 0.000 0.276 498 S C 0.817 175.412 174.600 -0.009 0.000 1.254 498 S CA -0.656 57.545 58.200 0.000 0.000 1.053 498 S CB 0.384 63.570 63.200 -0.022 0.000 0.958 498 S HN 0.645 nan 8.310 nan 0.000 0.491 499 K N 4.218 124.615 120.400 -0.005 0.000 2.498 499 K HA 0.263 4.582 4.320 -0.002 0.000 0.207 499 K C -0.318 176.270 176.600 -0.020 0.000 1.033 499 K CA -0.534 55.748 56.287 -0.009 0.000 1.138 499 K CB -0.046 32.455 32.500 0.003 0.000 0.860 499 K HN 0.391 nan 8.250 nan 0.000 0.490 500 I N 2.615 123.163 120.570 -0.036 0.000 2.365 500 I HA 0.119 4.288 4.170 -0.002 0.000 0.291 500 I C 0.735 176.804 176.117 -0.081 0.000 1.004 500 I CA -1.144 60.123 61.300 -0.055 0.000 1.311 500 I CB 0.806 38.762 38.000 -0.073 0.000 1.401 500 I HN 0.333 nan 8.210 nan 0.000 0.491 501 E N 4.445 124.599 120.200 -0.076 0.000 2.534 501 E HA -0.088 4.261 4.350 -0.002 0.000 0.264 501 E C -0.996 175.524 176.600 -0.133 0.000 0.981 501 E CA -0.232 56.117 56.400 -0.084 0.000 0.948 501 E CB 0.640 30.298 29.700 -0.069 0.000 0.934 501 E HN 0.397 nan 8.360 nan 0.000 0.459 502 L N 7.028 128.181 121.223 -0.117 0.000 2.257 502 L HA 0.388 4.727 4.340 -0.002 0.000 0.290 502 L C -2.304 174.484 176.870 -0.137 0.000 1.044 502 L CA -1.722 53.030 54.840 -0.147 0.000 0.810 502 L CB 0.902 42.904 42.059 -0.096 0.000 1.193 502 L HN 0.489 nan 8.230 nan 0.000 0.425 503 P HA 0.078 nan 4.420 nan 0.000 0.270 503 P C -0.929 176.381 177.300 0.017 0.000 1.216 503 P CA -0.082 62.933 63.100 -0.141 0.000 0.788 503 P CB 0.258 31.745 31.700 -0.356 0.000 0.883 504 S N -0.271 115.478 115.700 0.083 0.000 2.565 504 S HA 0.090 4.558 4.470 -0.002 0.000 0.276 504 S C 0.985 175.676 174.600 0.152 0.000 1.326 504 S CA -0.363 57.891 58.200 0.089 0.000 1.045 504 S CB 0.677 63.912 63.200 0.059 0.000 0.918 504 S HN 0.607 nan 8.310 nan 0.000 0.505 505 E N 1.817 122.089 120.200 0.121 0.000 2.482 505 E HA -0.038 4.311 4.350 -0.002 0.000 0.196 505 E C -0.042 176.499 176.600 -0.099 0.000 1.047 505 E CA 0.073 56.545 56.400 0.121 0.000 0.869 505 E CB -0.105 29.701 29.700 0.177 0.000 0.836 505 E HN 0.528 nan 8.360 nan 0.000 0.520 506 N N 1.038 119.684 118.700 -0.090 0.000 2.518 506 N HA 0.190 4.929 4.740 -0.002 0.000 0.283 506 N C -0.551 174.801 175.510 -0.264 0.000 1.119 506 N CA 0.311 53.264 53.050 -0.160 0.000 0.983 506 N CB 1.829 40.272 38.487 -0.073 0.000 1.139 506 N HN 0.123 nan 8.380 nan 0.000 0.465 507 T N -0.371 113.991 114.554 -0.321 0.000 2.658 507 T HA 0.083 4.432 4.350 -0.002 0.000 0.305 507 T C -1.425 173.143 174.700 -0.220 0.000 1.551 507 T CA -0.626 61.284 62.100 -0.316 0.000 0.985 507 T CB 0.582 69.086 68.868 -0.606 0.000 1.731 507 T HN 0.233 nan 8.240 nan 0.000 0.486 508 E N 1.624 121.727 120.200 -0.162 0.000 2.436 508 E HA 0.266 4.615 4.350 -0.002 0.000 0.262 508 E C 0.098 176.630 176.600 -0.114 0.000 1.063 508 E CA 0.281 56.616 56.400 -0.108 0.000 0.944 508 E CB 0.688 30.343 29.700 -0.075 0.000 0.950 508 E HN 0.566 nan 8.360 nan 0.000 0.444 509 S N 1.079 116.730 115.700 -0.081 0.000 2.584 509 S HA 0.105 4.574 4.470 -0.002 0.000 0.270 509 S C 0.146 174.691 174.600 -0.092 0.000 1.346 509 S CA -0.596 57.566 58.200 -0.064 0.000 1.018 509 S CB 0.438 63.624 63.200 -0.023 0.000 0.899 509 S HN 0.318 nan 8.310 nan 0.000 0.542 510 L N 2.788 123.949 121.223 -0.102 0.000 2.305 510 L HA 0.404 4.742 4.340 -0.002 0.000 0.281 510 L C 1.154 177.729 176.870 -0.491 0.000 1.085 510 L CA 0.590 55.285 54.840 -0.242 0.000 0.813 510 L CB 0.913 42.858 42.059 -0.190 0.000 1.157 510 L HN 0.874 nan 8.230 nan 0.000 0.436 511 T N -1.243 112.987 114.554 -0.540 0.000 2.975 511 T HA 0.203 4.552 4.350 -0.002 0.000 0.261 511 T C 0.273 174.596 174.700 -0.627 0.000 0.984 511 T CA 0.029 61.795 62.100 -0.556 0.000 0.911 511 T CB -0.131 68.602 68.868 -0.226 0.000 1.127 511 T HN 0.484 nan 8.240 nan 0.000 0.514 512 D N 1.067 121.138 120.400 -0.548 0.000 2.505 512 D HA 0.315 4.954 4.640 -0.002 0.000 0.242 512 D C -0.384 175.734 176.300 -0.303 0.000 1.136 512 D CA -1.360 52.449 54.000 -0.318 0.000 0.954 512 D CB -0.562 40.136 40.800 -0.171 0.000 1.002 512 D HN 0.336 nan 8.370 nan 0.000 0.512 513 F N 1.084 121.034 119.950 -0.001 0.000 2.733 513 F HA 0.085 4.610 4.527 -0.002 0.000 0.301 513 F C 1.211 177.015 175.800 0.006 0.000 1.240 513 F CA -0.503 57.498 58.000 0.002 0.000 1.432 513 F CB -0.583 38.419 39.000 0.003 0.000 1.089 513 F HN 0.165 nan 8.300 nan 0.000 0.533 514 N N 1.135 119.895 118.700 0.101 0.000 2.492 514 N HA 0.316 5.055 4.740 -0.002 0.000 0.262 514 N C -0.849 174.701 175.510 0.066 0.000 1.202 514 N CA 0.281 53.371 53.050 0.067 0.000 0.926 514 N CB 0.857 39.354 38.487 0.017 0.000 1.078 514 N HN 0.002 nan 8.380 nan 0.000 0.454 515 V N 2.371 122.321 119.914 0.060 0.000 3.002 515 V HA 0.125 4.244 4.120 -0.002 0.000 0.259 515 V C -1.946 174.162 176.094 0.025 0.000 1.748 515 V CA -1.004 61.336 62.300 0.066 0.000 0.954 515 V CB 1.818 33.739 31.823 0.165 0.000 1.323 515 V HN 0.729 nan 8.190 nan 0.000 0.458 516 D N 4.139 124.523 120.400 -0.026 0.000 2.316 516 D HA 0.413 5.052 4.640 -0.002 0.000 0.245 516 D C -0.197 175.965 176.300 -0.230 0.000 1.171 516 D CA 0.172 54.108 54.000 -0.107 0.000 0.856 516 D CB 1.868 42.586 40.800 -0.137 0.000 1.090 516 D HN 0.369 nan 8.370 nan 0.000 0.476 517 V N 4.873 124.601 119.914 -0.311 0.000 2.350 517 V HA 0.221 4.340 4.120 -0.002 0.000 0.276 517 V C -1.915 173.893 176.094 -0.476 0.000 1.028 517 V CA -1.536 60.397 62.300 -0.612 0.000 0.860 517 V CB 1.029 32.611 31.823 -0.403 0.000 0.990 517 V HN 0.354 nan 8.190 nan 0.000 0.453 518 P HA 0.177 nan 4.420 nan 0.000 0.265 518 P C -0.684 176.242 177.300 -0.622 0.000 1.193 518 P CA 0.043 62.824 63.100 -0.532 0.000 0.765 518 P CB 0.546 31.910 31.700 -0.560 0.000 0.823 519 V N 4.450 124.032 119.914 -0.554 0.000 2.435 519 V HA 0.348 4.467 4.120 -0.002 0.000 0.290 519 V C -0.484 175.304 176.094 -0.510 0.000 1.030 519 V CA -0.473 61.575 62.300 -0.420 0.000 0.881 519 V CB 0.645 32.344 31.823 -0.207 0.000 0.983 519 V HN 0.412 nan 8.190 nan 0.000 0.445 520 Y N 2.655 122.836 120.300 -0.199 0.000 2.468 520 Y HA 0.675 5.224 4.550 -0.002 0.000 0.342 520 Y C 0.319 176.280 175.900 0.102 0.000 1.021 520 Y CA -0.798 57.256 58.100 -0.076 0.000 1.079 520 Y CB 1.894 40.190 38.460 -0.272 0.000 1.226 520 Y HN 0.784 nan 8.280 nan 0.000 0.460 521 E N 1.029 121.410 120.200 0.301 0.000 2.356 521 E HA 0.520 4.868 4.350 -0.002 0.000 0.275 521 E C -1.604 174.959 176.600 -0.062 0.000 0.904 521 E CA -1.291 55.184 56.400 0.125 0.000 0.757 521 E CB 2.055 31.778 29.700 0.037 0.000 1.232 521 E HN 0.429 nan 8.360 nan 0.000 0.442 522 K N 0.785 121.001 120.400 -0.307 0.000 2.118 522 K HA 0.199 4.518 4.320 -0.002 0.000 0.240 522 K C -0.265 176.197 176.600 -0.229 0.000 1.035 522 K CA -0.401 55.587 56.287 -0.498 0.000 0.899 522 K CB 0.765 32.932 32.500 -0.555 0.000 1.085 522 K HN 0.687 nan 8.250 nan 0.000 0.498 523 Q N -0.638 119.041 119.800 -0.202 0.000 2.418 523 Q HA 0.407 4.745 4.340 -0.002 0.000 0.282 523 Q C -2.941 173.011 176.000 -0.080 0.000 1.044 523 Q CA -2.386 53.346 55.803 -0.118 0.000 0.813 523 Q CB 1.645 30.313 28.738 -0.117 0.000 1.428 523 Q HN 0.141 nan 8.270 nan 0.000 0.402 524 P HA -0.126 nan 4.420 nan 0.000 0.261 524 P C -0.226 177.140 177.300 0.109 0.000 1.165 524 P CA 0.924 64.037 63.100 0.021 0.000 0.759 524 P CB 0.583 32.305 31.700 0.038 0.000 0.772 525 A N 4.441 127.321 122.820 0.100 0.000 2.021 525 A HA 0.054 4.373 4.320 -0.002 0.000 0.216 525 A C 0.924 178.614 177.584 0.176 0.000 1.163 525 A CA 0.903 53.058 52.037 0.197 0.000 0.676 525 A CB -0.313 18.738 19.000 0.085 0.000 0.818 525 A HN 0.516 nan 8.150 nan 0.000 0.453 526 I N 0.129 120.732 120.570 0.056 0.000 2.378 526 I HA 0.263 4.432 4.170 -0.002 0.000 0.291 526 I C -0.201 175.892 176.117 -0.041 0.000 0.992 526 I CA -0.451 60.816 61.300 -0.055 0.000 1.154 526 I CB 1.803 39.765 38.000 -0.063 0.000 1.315 526 I HN 0.049 nan 8.210 nan 0.000 0.448 527 K N 7.421 127.742 120.400 -0.130 0.000 2.483 527 K HA 0.320 4.639 4.320 -0.002 0.000 0.256 527 K C -0.794 175.708 176.600 -0.163 0.000 0.961 527 K CA -0.741 55.497 56.287 -0.081 0.000 0.873 527 K CB 1.287 33.782 32.500 -0.007 0.000 1.107 527 K HN 0.465 nan 8.250 nan 0.000 0.432 528 K N 5.861 126.158 120.400 -0.172 0.000 2.316 528 K HA 0.187 4.506 4.320 -0.002 0.000 0.289 528 K C -0.280 176.064 176.600 -0.426 0.000 1.070 528 K CA -0.471 55.634 56.287 -0.302 0.000 0.928 528 K CB 0.229 32.557 32.500 -0.287 0.000 1.039 528 K HN 0.575 nan 8.250 nan 0.000 0.480 529 I N 0.547 120.827 120.570 -0.483 0.000 2.957 529 I HA 0.592 4.761 4.170 -0.002 0.000 0.310 529 I C -1.221 174.510 176.117 -0.642 0.000 1.063 529 I CA -0.852 60.186 61.300 -0.438 0.000 1.033 529 I CB 1.312 39.219 38.000 -0.154 0.000 1.230 529 I HN 0.291 nan 8.210 nan 0.000 0.447 530 F N 1.258 121.173 119.950 -0.058 0.000 2.482 530 F HA 0.797 5.323 4.527 -0.002 0.000 0.331 530 F C 0.342 176.060 175.800 -0.137 0.000 1.115 530 F CA -0.566 57.383 58.000 -0.084 0.000 0.955 530 F CB 2.167 41.131 39.000 -0.061 0.000 1.136 530 F HN 0.728 nan 8.300 nan 0.000 0.452 531 T N 1.003 115.545 114.554 -0.019 0.000 3.087 531 T HA 0.215 4.564 4.350 -0.002 0.000 0.351 531 T C -0.924 173.701 174.700 -0.125 0.000 1.520 531 T CA -0.653 61.337 62.100 -0.184 0.000 1.111 531 T CB 1.296 69.792 68.868 -0.619 0.000 1.353 531 T HN 0.646 nan 8.240 nan 0.000 0.481 532 D N 2.206 122.553 120.400 -0.089 0.000 2.395 532 D HA 0.174 4.813 4.640 -0.002 0.000 0.213 532 D C 0.364 176.665 176.300 0.001 0.000 1.110 532 D CA -0.001 53.985 54.000 -0.023 0.000 0.835 532 D CB 0.814 41.617 40.800 0.006 0.000 0.965 532 D HN 0.608 nan 8.370 nan 0.000 0.505 533 E N 0.978 121.145 120.200 -0.056 0.000 2.392 533 E HA 0.158 4.506 4.350 -0.002 0.000 0.259 533 E C 0.154 176.834 176.600 0.134 0.000 1.108 533 E CA 0.095 56.520 56.400 0.041 0.000 0.916 533 E CB 0.625 30.358 29.700 0.055 0.000 0.989 533 E HN -0.061 nan 8.360 nan 0.000 0.432 534 N N 1.590 120.407 118.700 0.195 0.000 2.750 534 N HA 0.089 4.828 4.740 -0.002 0.000 0.253 534 N C -0.673 174.945 175.510 0.180 0.000 1.408 534 N CA -0.054 53.158 53.050 0.270 0.000 0.780 534 N CB 1.532 40.237 38.487 0.363 0.000 1.191 534 N HN 0.321 nan 8.380 nan 0.000 0.511 535 T N -0.284 114.404 114.554 0.224 0.000 2.990 535 T HA 0.364 4.713 4.350 -0.002 0.000 0.296 535 T C 1.760 176.469 174.700 0.015 0.000 1.189 535 T CA -0.535 61.602 62.100 0.062 0.000 0.938 535 T CB 0.576 69.525 68.868 0.134 0.000 1.994 535 T HN 0.269 nan 8.240 nan 0.000 0.584 536 I N -0.117 120.355 120.570 -0.164 0.000 2.091 536 I HA -0.241 3.928 4.170 -0.002 0.000 0.240 536 I C 2.045 178.102 176.117 -0.101 0.000 1.046 536 I CA 2.176 63.335 61.300 -0.234 0.000 1.306 536 I CB -0.310 37.433 38.000 -0.427 0.000 1.018 536 I HN 0.704 nan 8.210 nan 0.000 0.404 537 F N 0.650 120.742 119.950 0.237 0.000 2.095 537 F HA -0.289 4.237 4.527 -0.002 0.000 0.298 537 F C 2.644 178.604 175.800 0.267 0.000 1.104 537 F CA 1.412 59.551 58.000 0.231 0.000 1.232 537 F CB -1.028 38.106 39.000 0.223 0.000 0.987 537 F HN 0.135 nan 8.300 nan 0.000 0.475 538 Q N -0.609 119.475 119.800 0.474 0.000 2.079 538 Q HA -0.162 4.176 4.340 -0.002 0.000 0.200 538 Q C 2.037 178.323 176.000 0.475 0.000 0.974 538 Q CA 1.475 57.552 55.803 0.456 0.000 0.840 538 Q CB -0.834 28.193 28.738 0.482 0.000 0.898 538 Q HN 0.444 nan 8.270 nan 0.000 0.430 539 Y N 0.109 120.496 120.300 0.144 0.000 2.224 539 Y HA -0.133 4.415 4.550 -0.002 0.000 0.289 539 Y C 1.835 177.860 175.900 0.209 0.000 1.146 539 Y CA 0.913 59.044 58.100 0.052 0.000 1.182 539 Y CB -0.147 38.208 38.460 -0.174 0.000 0.983 539 Y HN 0.077 nan 8.280 nan 0.000 0.524 540 L N -1.996 119.416 121.223 0.315 0.000 2.056 540 L HA -0.252 4.087 4.340 -0.002 0.000 0.207 540 L C 2.208 179.132 176.870 0.090 0.000 1.078 540 L CA 1.417 56.397 54.840 0.234 0.000 0.749 540 L CB -0.704 41.520 42.059 0.276 0.000 0.901 540 L HN 0.229 nan 8.230 nan 0.000 0.433 541 Y N 1.083 121.431 120.300 0.081 0.000 2.224 541 Y HA -0.297 4.251 4.550 -0.002 0.000 0.289 541 Y C 2.911 178.808 175.900 -0.006 0.000 1.146 541 Y CA 1.528 59.634 58.100 0.011 0.000 1.182 541 Y CB -0.235 38.275 38.460 0.082 0.000 0.983 541 Y HN 0.259 nan 8.280 nan 0.000 0.524 542 S N -0.514 115.269 115.700 0.138 0.000 2.469 542 S HA -0.228 4.241 4.470 -0.002 0.000 0.238 542 S C 1.420 176.037 174.600 0.028 0.000 0.998 542 S CA 1.437 59.667 58.200 0.049 0.000 0.957 542 S CB -0.480 62.805 63.200 0.141 0.000 0.764 542 S HN 0.730 nan 8.310 nan 0.000 0.514 543 Q N 1.314 121.101 119.800 -0.023 0.000 2.319 543 Q HA 0.175 4.514 4.340 -0.002 0.000 0.202 543 Q C 0.686 176.566 176.000 -0.199 0.000 0.896 543 Q CA 0.500 56.284 55.803 -0.031 0.000 0.942 543 Q CB 0.690 29.460 28.738 0.053 0.000 1.083 543 Q HN 0.798 nan 8.270 nan 0.000 0.510 544 T N -1.678 112.659 114.554 -0.363 0.000 2.938 544 T HA 0.683 5.031 4.350 -0.002 0.000 0.285 544 T C -0.464 174.170 174.700 -0.111 0.000 1.028 544 T CA -0.841 61.047 62.100 -0.354 0.000 1.005 544 T CB 1.229 69.760 68.868 -0.562 0.000 1.157 544 T HN 0.150 nan 8.240 nan 0.000 0.550 545 F N -2.140 117.697 119.950 -0.188 0.000 2.654 545 F HA 0.779 5.305 4.527 -0.002 0.000 0.308 545 F C -3.188 172.564 175.800 -0.080 0.000 1.108 545 F CA -2.496 55.423 58.000 -0.135 0.000 0.957 545 F CB -0.388 38.560 39.000 -0.085 0.000 1.309 545 F HN 0.449 nan 8.300 nan 0.000 0.446 546 P HA 0.306 nan 4.420 nan 0.000 0.270 546 P C 0.603 177.929 177.300 0.043 0.000 1.223 546 P CA -0.495 62.613 63.100 0.012 0.000 0.785 546 P CB 0.917 32.647 31.700 0.050 0.000 0.923 547 L N 0.828 122.049 121.223 -0.003 0.000 2.217 547 L HA -0.105 4.234 4.340 -0.002 0.000 0.211 547 L C 1.133 178.040 176.870 0.062 0.000 1.107 547 L CA 1.253 56.105 54.840 0.020 0.000 0.783 547 L CB -0.722 41.335 42.059 -0.004 0.000 0.919 547 L HN 0.483 nan 8.230 nan 0.000 0.442 548 D N -0.828 119.604 120.400 0.053 0.000 2.344 548 D HA 0.039 4.677 4.640 -0.002 0.000 0.242 548 D C 0.223 176.554 176.300 0.052 0.000 1.159 548 D CA 0.317 54.345 54.000 0.046 0.000 0.859 548 D CB 0.133 40.952 40.800 0.032 0.000 0.925 548 D HN -0.029 nan 8.370 nan 0.000 0.510 549 I N 1.261 121.883 120.570 0.087 0.000 2.499 549 I HA 0.245 4.413 4.170 -0.002 0.000 0.288 549 I C 0.804 176.948 176.117 0.046 0.000 1.048 549 I CA -0.695 60.637 61.300 0.054 0.000 1.062 549 I CB 2.045 40.087 38.000 0.070 0.000 1.238 549 I HN 0.133 nan 8.210 nan 0.000 0.426 550 R N 2.386 122.842 120.500 -0.073 0.000 2.344 550 R HA 0.234 4.573 4.340 -0.002 0.000 0.209 550 R C -0.275 175.744 176.300 -0.468 0.000 0.886 550 R CA -0.192 55.831 56.100 -0.127 0.000 1.040 550 R CB 0.477 30.774 30.300 -0.005 0.000 1.114 550 R HN 0.369 nan 8.270 nan 0.000 0.547 551 D N 2.581 122.608 120.400 -0.622 0.000 2.467 551 D HA 0.252 4.891 4.640 -0.002 0.000 0.220 551 D C -0.166 175.836 176.300 -0.495 0.000 1.103 551 D CA -0.648 52.793 54.000 -0.932 0.000 0.886 551 D CB 0.657 40.928 40.800 -0.881 0.000 1.025 551 D HN 0.420 nan 8.370 nan 0.000 0.514 552 I N -0.068 120.237 120.570 -0.442 0.000 2.957 552 I HA 0.753 4.922 4.170 -0.002 0.000 0.310 552 I C -0.729 175.264 176.117 -0.207 0.000 1.063 552 I CA -0.969 60.132 61.300 -0.331 0.000 1.033 552 I CB 2.276 39.979 38.000 -0.494 0.000 1.230 552 I HN 0.252 nan 8.210 nan 0.000 0.447 553 S N 4.005 119.614 115.700 -0.152 0.000 2.541 553 S HA 0.672 5.141 4.470 -0.002 0.000 0.280 553 S C -0.725 173.834 174.600 -0.069 0.000 1.112 553 S CA -0.932 57.215 58.200 -0.090 0.000 0.925 553 S CB 1.612 64.766 63.200 -0.076 0.000 1.067 553 S HN 0.684 nan 8.310 nan 0.000 0.479 554 L N 1.926 123.121 121.223 -0.047 0.000 2.439 554 L HA 0.689 5.028 4.340 -0.002 0.000 0.261 554 L C 0.620 177.487 176.870 -0.005 0.000 1.153 554 L CA -0.346 54.478 54.840 -0.028 0.000 0.808 554 L CB 1.345 43.385 42.059 -0.032 0.000 1.126 554 L HN 0.885 nan 8.230 nan 0.000 0.460 555 T N -1.195 113.374 114.554 0.026 0.000 2.923 555 T HA 0.241 4.590 4.350 -0.002 0.000 0.311 555 T C 0.402 175.166 174.700 0.108 0.000 1.183 555 T CA -0.238 61.902 62.100 0.067 0.000 1.020 555 T CB 1.574 70.496 68.868 0.091 0.000 1.165 555 T HN 0.690 nan 8.240 nan 0.000 0.482 556 S N 1.970 117.748 115.700 0.129 0.000 2.575 556 S HA 0.212 4.681 4.470 -0.002 0.000 0.215 556 S C 0.854 175.671 174.600 0.360 0.000 0.966 556 S CA -0.133 58.174 58.200 0.177 0.000 0.911 556 S CB 0.096 63.381 63.200 0.142 0.000 0.780 556 S HN 0.565 nan 8.310 nan 0.000 0.514 557 S N 1.265 117.148 115.700 0.306 0.000 2.404 557 S HA 0.364 4.833 4.470 -0.002 0.000 0.309 557 S C 0.414 175.161 174.600 0.245 0.000 1.076 557 S CA -0.891 57.470 58.200 0.269 0.000 1.095 557 S CB -0.351 62.944 63.200 0.159 0.000 0.972 557 S HN 0.397 nan 8.310 nan 0.000 0.484 558 F N 4.946 124.873 119.950 -0.037 0.000 2.154 558 F HA -0.150 4.376 4.527 -0.002 0.000 0.301 558 F C 1.601 177.263 175.800 -0.229 0.000 1.087 558 F CA 1.981 59.685 58.000 -0.494 0.000 1.274 558 F CB -0.119 38.380 39.000 -0.836 0.000 1.009 558 F HN 0.614 nan 8.300 nan 0.000 0.485 559 D N 0.023 120.241 120.400 -0.302 0.000 2.149 559 D HA -0.147 4.491 4.640 -0.002 0.000 0.201 559 D C 1.735 177.922 176.300 -0.188 0.000 0.972 559 D CA 1.377 55.176 54.000 -0.335 0.000 0.835 559 D CB -0.313 40.433 40.800 -0.090 0.000 0.966 559 D HN 0.394 nan 8.370 nan 0.000 0.476 560 D N 0.991 121.386 120.400 -0.008 0.000 2.149 560 D HA -0.048 4.591 4.640 -0.002 0.000 0.201 560 D C 2.099 178.489 176.300 0.149 0.000 0.972 560 D CA 0.657 54.778 54.000 0.203 0.000 0.835 560 D CB -0.143 40.793 40.800 0.227 0.000 0.966 560 D HN 0.070 nan 8.370 nan 0.000 0.476 561 A N 1.118 123.943 122.820 0.009 0.000 1.883 561 A HA -0.157 4.162 4.320 -0.002 0.000 0.217 561 A C 2.369 179.883 177.584 -0.116 0.000 1.186 561 A CA 1.016 53.044 52.037 -0.015 0.000 0.624 561 A CB -0.856 18.148 19.000 0.007 0.000 0.822 561 A HN 0.198 nan 8.150 nan 0.000 0.444 562 L N -1.509 119.539 121.223 -0.292 0.000 2.093 562 L HA -0.131 4.208 4.340 -0.002 0.000 0.208 562 L C 2.534 179.282 176.870 -0.204 0.000 1.085 562 L CA 0.864 55.552 54.840 -0.254 0.000 0.755 562 L CB -0.277 41.524 42.059 -0.430 0.000 0.904 562 L HN 0.418 nan 8.230 nan 0.000 0.435 563 L N -0.985 120.067 121.223 -0.285 0.000 2.044 563 L HA -0.022 4.317 4.340 -0.002 0.000 0.205 563 L C 0.158 176.605 176.870 -0.705 0.000 1.075 563 L CA 1.439 55.958 54.840 -0.535 0.000 0.747 563 L CB -0.109 41.507 42.059 -0.737 0.000 0.903 563 L HN -0.112 nan 8.230 nan 0.000 0.435 564 F N -0.801 119.117 119.950 -0.053 0.000 2.411 564 F HA 0.244 4.770 4.527 -0.002 0.000 0.352 564 F C 1.686 177.463 175.800 -0.039 0.000 1.123 564 F CA -0.112 57.864 58.000 -0.040 0.000 1.044 564 F CB 0.885 39.861 39.000 -0.041 0.000 1.135 564 F HN -0.037 nan 8.300 nan 0.000 0.461 565 S N 1.088 116.845 115.700 0.094 0.000 2.400 565 S HA -0.252 4.217 4.470 -0.002 0.000 0.232 565 S C 1.430 176.063 174.600 0.054 0.000 1.025 565 S CA 1.515 59.751 58.200 0.059 0.000 0.993 565 S CB -0.478 62.752 63.200 0.049 0.000 0.808 565 S HN 0.768 nan 8.310 nan 0.000 0.478 566 N N 0.911 119.642 118.700 0.051 0.000 2.383 566 N HA 0.064 4.803 4.740 -0.002 0.000 0.192 566 N C -0.338 175.144 175.510 -0.047 0.000 1.141 566 N CA 0.076 53.104 53.050 -0.036 0.000 0.851 566 N CB -0.044 38.409 38.487 -0.057 0.000 0.976 566 N HN 0.212 nan 8.380 nan 0.000 0.465 567 K N 1.085 121.504 120.400 0.031 0.000 2.235 567 K HA 0.414 4.732 4.320 -0.002 0.000 0.266 567 K C -0.988 175.630 176.600 0.030 0.000 0.980 567 K CA -0.704 55.603 56.287 0.032 0.000 0.849 567 K CB 2.699 35.270 32.500 0.118 0.000 1.098 567 K HN -0.152 nan 8.250 nan 0.000 0.445 568 V N 3.812 123.733 119.914 0.012 0.000 2.540 568 V HA 0.202 4.320 4.120 -0.002 0.000 0.302 568 V C -0.667 175.483 176.094 0.094 0.000 1.035 568 V CA -1.131 61.196 62.300 0.044 0.000 0.873 568 V CB 1.468 33.296 31.823 0.008 0.000 0.992 568 V HN 0.617 nan 8.190 nan 0.000 0.428 569 Y N 3.470 123.774 120.300 0.006 0.000 2.425 569 Y HA 0.482 5.031 4.550 -0.002 0.000 0.331 569 Y C 0.489 176.403 175.900 0.024 0.000 1.157 569 Y CA 0.500 58.625 58.100 0.041 0.000 1.372 569 Y CB 1.169 39.680 38.460 0.085 0.000 1.253 569 Y HN 0.652 nan 8.280 nan 0.000 0.536 570 S N 5.996 121.269 115.700 -0.713 0.000 2.547 570 S HA 0.383 4.852 4.470 -0.002 0.000 0.281 570 S C -0.166 173.886 174.600 -0.914 0.000 1.118 570 S CA -0.777 56.970 58.200 -0.756 0.000 0.947 570 S CB 0.108 63.095 63.200 -0.355 0.000 1.053 570 S HN 0.635 nan 8.310 nan 0.000 0.482 571 F N 2.526 122.021 119.950 -0.759 0.000 2.765 571 F HA 0.523 5.049 4.527 -0.002 0.000 0.302 571 F C 0.280 175.956 175.800 -0.207 0.000 1.111 571 F CA -0.925 56.810 58.000 -0.442 0.000 1.359 571 F CB -0.472 38.367 39.000 -0.267 0.000 1.097 571 F HN 0.351 nan 8.300 nan 0.000 0.577 572 F N 1.514 121.166 119.950 -0.497 0.000 2.331 572 F HA 0.243 4.769 4.527 -0.002 0.000 0.293 572 F C 1.566 177.297 175.800 -0.115 0.000 1.277 572 F CA -0.928 56.825 58.000 -0.411 0.000 1.204 572 F CB 0.395 38.913 39.000 -0.802 0.000 1.374 572 F HN -0.018 nan 8.300 nan 0.000 0.520 573 S N 1.008 116.794 115.700 0.144 0.000 2.576 573 S HA -0.039 4.430 4.470 -0.002 0.000 0.272 573 S C 0.896 175.592 174.600 0.161 0.000 1.352 573 S CA -0.751 57.526 58.200 0.128 0.000 1.021 573 S CB 0.843 64.084 63.200 0.068 0.000 0.887 573 S HN 0.851 nan 8.310 nan 0.000 0.542 574 M N 0.767 120.436 119.600 0.114 0.000 2.108 574 M HA -0.193 4.286 4.480 -0.002 0.000 0.261 574 M C 1.884 178.232 176.300 0.080 0.000 1.066 574 M CA 2.384 57.740 55.300 0.093 0.000 1.107 574 M CB -0.638 32.008 32.600 0.077 0.000 1.356 574 M HN 0.995 nan 8.290 nan 0.000 0.406 575 D N -0.724 119.724 120.400 0.079 0.000 2.097 575 D HA -0.258 4.381 4.640 -0.002 0.000 0.195 575 D C 1.891 178.229 176.300 0.063 0.000 0.989 575 D CA 1.573 55.609 54.000 0.060 0.000 0.827 575 D CB -0.460 40.370 40.800 0.050 0.000 0.966 575 D HN 0.591 nan 8.370 nan 0.000 0.456 576 Y N 1.570 121.861 120.300 -0.016 0.000 2.145 576 Y HA -0.153 4.395 4.550 -0.002 0.000 0.286 576 Y C 2.298 178.210 175.900 0.020 0.000 1.145 576 Y CA 1.524 59.610 58.100 -0.023 0.000 1.148 576 Y CB -0.474 37.951 38.460 -0.058 0.000 0.981 576 Y HN -0.041 nan 8.280 nan 0.000 0.507 577 I N 0.381 120.925 120.570 -0.044 0.000 2.361 577 I HA -0.267 3.902 4.170 -0.002 0.000 0.251 577 I C 2.565 178.625 176.117 -0.095 0.000 1.133 577 I CA 1.529 62.763 61.300 -0.110 0.000 1.413 577 I CB -0.386 37.636 38.000 0.036 0.000 1.073 577 I HN 0.221 nan 8.210 nan 0.000 0.424 578 K N 0.619 120.995 120.400 -0.040 0.000 2.031 578 K HA -0.120 4.199 4.320 -0.002 0.000 0.205 578 K C 2.074 178.681 176.600 0.013 0.000 1.049 578 K CA 1.683 57.968 56.287 -0.005 0.000 0.939 578 K CB -0.000 32.511 32.500 0.018 0.000 0.717 578 K HN 0.189 nan 8.250 nan 0.000 0.438 579 T N 0.972 115.524 114.554 -0.003 0.000 2.746 579 T HA -0.129 4.220 4.350 -0.002 0.000 0.267 579 T C 1.894 176.715 174.700 0.202 0.000 1.039 579 T CA 1.301 63.453 62.100 0.088 0.000 1.142 579 T CB -0.302 68.559 68.868 -0.012 0.000 0.866 579 T HN 0.366 nan 8.240 nan 0.000 0.444 580 A N 2.425 125.211 122.820 -0.056 0.000 1.933 580 A HA -0.121 4.198 4.320 -0.002 0.000 0.218 580 A C 2.083 179.793 177.584 0.210 0.000 1.175 580 A CA 1.276 53.328 52.037 0.026 0.000 0.628 580 A CB -0.443 18.373 19.000 -0.307 0.000 0.814 580 A HN 0.403 nan 8.150 nan 0.000 0.444 581 N N -0.285 118.466 118.700 0.084 0.000 2.398 581 N HA 0.022 4.761 4.740 -0.002 0.000 0.188 581 N C 0.441 175.969 175.510 0.030 0.000 1.122 581 N CA 0.245 53.325 53.050 0.049 0.000 0.866 581 N CB -0.008 38.479 38.487 0.000 0.000 0.970 581 N HN 0.550 nan 8.380 nan 0.000 0.462 582 K N 0.752 121.202 120.400 0.083 0.000 2.276 582 K HA 0.226 4.545 4.320 -0.002 0.000 0.259 582 K C -0.673 175.757 176.600 -0.283 0.000 1.001 582 K CA 0.084 56.349 56.287 -0.038 0.000 0.927 582 K CB 0.788 33.344 32.500 0.093 0.000 0.969 582 K HN -0.277 nan 8.250 nan 0.000 0.490 583 V N 4.582 124.332 119.914 -0.272 0.000 2.569 583 V HA 0.326 4.445 4.120 -0.002 0.000 0.301 583 V C -0.469 175.484 176.094 -0.236 0.000 1.044 583 V CA -0.760 61.356 62.300 -0.306 0.000 0.874 583 V CB 1.358 33.068 31.823 -0.188 0.000 1.002 583 V HN 0.691 nan 8.190 nan 0.000 0.424 584 V N 1.390 121.167 119.914 -0.228 0.000 3.119 584 V HA 0.763 4.881 4.120 -0.002 0.000 0.311 584 V C -0.414 175.717 176.094 0.061 0.000 1.259 584 V CA -0.876 61.383 62.300 -0.068 0.000 1.067 584 V CB 2.225 34.024 31.823 -0.040 0.000 1.123 584 V HN 0.641 nan 8.190 nan 0.000 0.463 585 E N 0.443 120.685 120.200 0.071 0.000 2.383 585 E HA 0.439 4.788 4.350 -0.002 0.000 0.264 585 E C 1.235 177.863 176.600 0.047 0.000 1.050 585 E CA 0.498 56.941 56.400 0.073 0.000 0.896 585 E CB 1.607 31.322 29.700 0.025 0.000 0.982 585 E HN 0.952 nan 8.360 nan 0.000 0.424 586 A N 3.335 126.055 122.820 -0.166 0.000 1.948 586 A HA -0.190 4.129 4.320 -0.002 0.000 0.220 586 A C 1.966 179.460 177.584 -0.151 0.000 1.177 586 A CA 2.129 53.837 52.037 -0.548 0.000 0.636 586 A CB -0.802 17.726 19.000 -0.787 0.000 0.815 586 A HN 0.679 nan 8.150 nan 0.000 0.449 587 G N -1.124 107.632 108.800 -0.074 0.000 2.535 587 G HA2 0.090 4.048 3.960 -0.002 0.000 0.218 587 G HA3 0.090 4.048 3.960 -0.002 0.000 0.218 587 G C 1.071 175.996 174.900 0.043 0.000 1.122 587 G CA 0.935 46.027 45.100 -0.013 0.000 0.769 587 G HN 0.487 nan 8.290 nan 0.000 0.549 588 L N -1.266 120.010 121.223 0.087 0.000 3.069 588 L HA 0.395 4.734 4.340 -0.002 0.000 0.271 588 L C 1.607 178.626 176.870 0.248 0.000 1.201 588 L CA -0.486 54.435 54.840 0.134 0.000 1.015 588 L CB 0.184 42.310 42.059 0.112 0.000 1.371 588 L HN 0.038 nan 8.230 nan 0.000 0.574 589 F N 1.916 121.922 119.950 0.093 0.000 2.113 589 F HA -0.097 4.429 4.527 -0.002 0.000 0.297 589 F C 2.400 178.345 175.800 0.242 0.000 1.103 589 F CA 1.309 59.438 58.000 0.213 0.000 1.248 589 F CB -0.113 39.009 39.000 0.203 0.000 0.999 589 F HN 0.085 nan 8.300 nan 0.000 0.475 590 A N 0.434 123.324 122.820 0.117 0.000 1.849 590 A HA -0.174 4.145 4.320 -0.002 0.000 0.217 590 A C 2.577 180.126 177.584 -0.058 0.000 1.202 590 A CA 2.260 54.281 52.037 -0.027 0.000 0.629 590 A CB -1.810 17.201 19.000 0.018 0.000 0.834 590 A HN 0.496 nan 8.150 nan 0.000 0.447 591 G N -1.758 107.052 108.800 0.017 0.000 2.491 591 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.218 591 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.218 591 G C 1.415 176.316 174.900 0.001 0.000 1.180 591 G CA 1.326 46.432 45.100 0.010 0.000 0.774 591 G HN 0.754 nan 8.290 nan 0.000 0.562 592 W N 1.057 122.293 121.300 -0.106 0.000 2.321 592 W HA -0.150 4.509 4.660 -0.002 0.000 0.306 592 W C 2.498 178.895 176.519 -0.203 0.000 1.217 592 W CA 2.132 59.408 57.345 -0.115 0.000 1.257 592 W CB -0.413 29.013 29.460 -0.056 0.000 1.145 592 W HN 0.058 nan 8.180 nan 0.000 0.509 593 V N 1.420 121.110 119.914 -0.373 0.000 2.295 593 V HA -0.340 3.779 4.120 -0.002 0.000 0.246 593 V C 2.558 178.356 176.094 -0.493 0.000 1.049 593 V CA 2.409 64.322 62.300 -0.645 0.000 1.024 593 V CB -1.141 30.332 31.823 -0.583 0.000 0.648 593 V HN 0.247 nan 8.190 nan 0.000 0.447 594 K N 0.516 120.723 120.400 -0.321 0.000 2.074 594 K HA -0.304 4.015 4.320 -0.002 0.000 0.209 594 K C 2.266 178.729 176.600 -0.228 0.000 1.048 594 K CA 2.342 58.490 56.287 -0.232 0.000 0.926 594 K CB -0.176 32.233 32.500 -0.151 0.000 0.713 594 K HN 0.754 nan 8.250 nan 0.000 0.444 595 Q N -0.051 119.596 119.800 -0.255 0.000 2.212 595 Q HA -0.100 4.239 4.340 -0.002 0.000 0.199 595 Q C 2.033 177.876 176.000 -0.262 0.000 0.950 595 Q CA 0.839 56.513 55.803 -0.216 0.000 0.863 595 Q CB -0.241 28.401 28.738 -0.160 0.000 0.944 595 Q HN 0.313 nan 8.270 nan 0.000 0.465 596 I N 0.959 121.251 120.570 -0.464 0.000 2.546 596 I HA -0.137 4.031 4.170 -0.002 0.000 0.255 596 I C 1.809 177.820 176.117 -0.177 0.000 1.163 596 I CA 0.689 61.731 61.300 -0.429 0.000 1.457 596 I CB 0.118 37.594 38.000 -0.873 0.000 1.092 596 I HN 0.067 nan 8.210 nan 0.000 0.434 597 V N 0.577 120.354 119.914 -0.228 0.000 2.407 597 V HA -0.172 3.947 4.120 -0.002 0.000 0.245 597 V C 2.251 178.327 176.094 -0.031 0.000 1.041 597 V CA 1.851 64.081 62.300 -0.117 0.000 1.040 597 V CB -1.029 30.676 31.823 -0.196 0.000 0.671 597 V HN 0.472 nan 8.190 nan 0.000 0.455 598 N N 0.502 119.152 118.700 -0.084 0.000 2.188 598 N HA -0.174 4.565 4.740 -0.002 0.000 0.184 598 N C 1.429 176.907 175.510 -0.054 0.000 1.018 598 N CA 1.516 54.528 53.050 -0.064 0.000 0.858 598 N CB -0.150 38.288 38.487 -0.082 0.000 0.989 598 N HN 0.414 nan 8.380 nan 0.000 0.426 599 D N -0.498 119.878 120.400 -0.039 0.000 2.092 599 D HA -0.157 4.482 4.640 -0.002 0.000 0.193 599 D C 1.512 177.748 176.300 -0.106 0.000 0.994 599 D CA 0.831 54.818 54.000 -0.022 0.000 0.828 599 D CB -0.527 40.331 40.800 0.096 0.000 0.963 599 D HN 0.273 nan 8.370 nan 0.000 0.450 600 F N 1.096 120.966 119.950 -0.134 0.000 2.063 600 F HA -0.294 4.232 4.527 -0.002 0.000 0.298 600 F C 2.255 177.829 175.800 -0.376 0.000 1.109 600 F CA 1.317 59.130 58.000 -0.312 0.000 1.212 600 F CB -0.342 38.610 39.000 -0.080 0.000 0.973 600 F HN -0.166 nan 8.300 nan 0.000 0.480 601 V N 0.946 120.869 119.914 0.015 0.000 2.287 601 V HA -0.354 3.765 4.120 -0.002 0.000 0.248 601 V C 2.388 178.363 176.094 -0.198 0.000 1.053 601 V CA 2.289 64.562 62.300 -0.045 0.000 1.027 601 V CB -0.684 31.137 31.823 -0.002 0.000 0.646 601 V HN 0.402 nan 8.190 nan 0.000 0.447 602 I N -0.431 120.012 120.570 -0.212 0.000 2.286 602 I HA -0.189 3.980 4.170 -0.002 0.000 0.248 602 I C 2.662 178.576 176.117 -0.338 0.000 1.115 602 I CA 1.307 62.476 61.300 -0.218 0.000 1.392 602 I CB -0.461 37.440 38.000 -0.165 0.000 1.065 602 I HN 0.354 nan 8.210 nan 0.000 0.418 603 E N 1.118 120.948 120.200 -0.617 0.000 2.047 603 E HA -0.179 4.170 4.350 -0.002 0.000 0.191 603 E C 2.395 178.513 176.600 -0.803 0.000 0.987 603 E CA 1.476 57.320 56.400 -0.926 0.000 0.799 603 E CB -0.333 28.224 29.700 -1.904 0.000 0.752 603 E HN 0.481 nan 8.360 nan 0.000 0.449 604 A N 2.109 124.403 122.820 -0.877 0.000 1.940 604 A HA -0.178 4.141 4.320 -0.002 0.000 0.219 604 A C 1.820 179.393 177.584 -0.019 0.000 1.176 604 A CA 1.355 53.179 52.037 -0.355 0.000 0.631 604 A CB -0.477 18.354 19.000 -0.283 0.000 0.814 604 A HN 0.132 nan 8.150 nan 0.000 0.446 605 N N -0.235 118.404 118.700 -0.103 0.000 2.575 605 N HA -0.019 4.719 4.740 -0.002 0.000 0.192 605 N C 0.846 176.336 175.510 -0.032 0.000 1.200 605 N CA 0.485 53.510 53.050 -0.042 0.000 0.897 605 N CB -0.054 38.395 38.487 -0.064 0.000 0.990 605 N HN 0.545 nan 8.380 nan 0.000 0.449 606 K N 0.218 120.625 120.400 0.011 0.000 2.525 606 K HA 0.045 4.364 4.320 -0.002 0.000 0.192 606 K C 1.443 178.002 176.600 -0.069 0.000 1.029 606 K CA 0.177 56.465 56.287 0.000 0.000 1.029 606 K CB 0.193 32.724 32.500 0.051 0.000 0.814 606 K HN 0.141 nan 8.250 nan 0.000 0.503 607 S N 0.649 116.306 115.700 -0.071 0.000 2.603 607 S HA -0.069 4.400 4.470 -0.002 0.000 0.220 607 S C 0.936 175.406 174.600 -0.217 0.000 0.967 607 S CA 0.506 58.537 58.200 -0.281 0.000 0.920 607 S CB -0.336 62.761 63.200 -0.172 0.000 0.773 607 S HN 0.365 nan 8.310 nan 0.000 0.529 608 N N 0.421 119.040 118.700 -0.134 0.000 2.273 608 N HA 0.125 4.863 4.740 -0.002 0.000 0.231 608 N C -0.565 174.876 175.510 -0.115 0.000 1.134 608 N CA -0.261 52.724 53.050 -0.108 0.000 0.856 608 N CB -0.311 38.136 38.487 -0.066 0.000 1.068 608 N HN 0.000 nan 8.380 nan 0.000 0.510 609 T N 1.508 115.972 114.554 -0.149 0.000 2.888 609 T HA 0.134 4.483 4.350 -0.002 0.000 0.301 609 T C 0.464 175.092 174.700 -0.119 0.000 1.001 609 T CA 0.140 62.163 62.100 -0.128 0.000 1.147 609 T CB 0.382 69.170 68.868 -0.134 0.000 0.931 609 T HN 0.205 nan 8.240 nan 0.000 0.541 610 M N 2.275 121.818 119.600 -0.094 0.000 2.371 610 M HA 0.377 4.856 4.480 -0.002 0.000 0.301 610 M C 0.254 176.514 176.300 -0.066 0.000 1.173 610 M CA -0.350 54.904 55.300 -0.078 0.000 1.020 610 M CB 0.768 33.319 32.600 -0.082 0.000 1.490 610 M HN 0.484 nan 8.290 nan 0.000 0.485 611 D N -0.623 119.749 120.400 -0.047 0.000 3.484 611 D HA 0.128 4.767 4.640 -0.002 0.000 0.315 611 D C 0.502 176.784 176.300 -0.030 0.000 1.516 611 D CA 0.025 54.007 54.000 -0.030 0.000 0.755 611 D CB 0.369 41.170 40.800 0.001 0.000 1.306 611 D HN 0.305 nan 8.370 nan 0.000 0.615 612 K N 0.197 120.565 120.400 -0.053 0.000 2.127 612 K HA -0.153 4.166 4.320 -0.002 0.000 0.208 612 K C 1.799 178.357 176.600 -0.070 0.000 1.047 612 K CA 0.775 57.027 56.287 -0.057 0.000 0.927 612 K CB -0.052 32.401 32.500 -0.077 0.000 0.716 612 K HN 0.379 nan 8.250 nan 0.000 0.450 613 I N 1.000 121.523 120.570 -0.078 0.000 2.361 613 I HA -0.189 3.979 4.170 -0.002 0.000 0.251 613 I C 1.558 177.590 176.117 -0.142 0.000 1.133 613 I CA 1.252 62.483 61.300 -0.115 0.000 1.413 613 I CB -0.267 37.694 38.000 -0.064 0.000 1.073 613 I HN 0.065 nan 8.210 nan 0.000 0.424 614 A N -0.609 122.170 122.820 -0.068 0.000 2.370 614 A HA 0.143 4.462 4.320 -0.002 0.000 0.238 614 A C 0.473 178.037 177.584 -0.033 0.000 1.289 614 A CA 0.291 52.303 52.037 -0.042 0.000 0.885 614 A CB -0.581 18.424 19.000 0.008 0.000 0.961 614 A HN 0.499 nan 8.150 nan 0.000 0.499 615 D N -0.471 119.901 120.400 -0.046 0.000 2.689 615 D HA -0.155 4.484 4.640 -0.002 0.000 0.237 615 D C -0.469 175.834 176.300 0.004 0.000 1.148 615 D CA 1.185 55.169 54.000 -0.025 0.000 0.656 615 D CB -1.194 39.583 40.800 -0.039 0.000 1.050 615 D HN 0.576 nan 8.370 nan 0.000 0.426 616 I N 0.252 120.838 120.570 0.026 0.000 2.500 616 I HA 0.072 4.240 4.170 -0.002 0.000 0.286 616 I C 1.185 177.328 176.117 0.043 0.000 1.063 616 I CA -0.541 60.806 61.300 0.078 0.000 1.062 616 I CB 1.960 40.056 38.000 0.161 0.000 1.223 616 I HN -0.254 nan 8.210 nan 0.000 0.435 617 S N 4.776 120.497 115.700 0.036 0.000 2.414 617 S HA 0.101 4.569 4.470 -0.002 0.000 0.227 617 S C 0.217 174.820 174.600 0.006 0.000 1.022 617 S CA 0.556 58.760 58.200 0.007 0.000 0.958 617 S CB 0.072 63.270 63.200 -0.003 0.000 0.797 617 S HN 0.455 nan 8.310 nan 0.000 0.493 618 L N 0.824 122.076 121.223 0.047 0.000 2.410 618 L HA 0.772 5.111 4.340 -0.002 0.000 0.270 618 L C -1.467 175.386 176.870 -0.029 0.000 0.983 618 L CA -0.763 54.087 54.840 0.017 0.000 0.822 618 L CB 1.881 43.989 42.059 0.082 0.000 1.285 618 L HN 0.107 nan 8.230 nan 0.000 0.409 619 I N 4.695 125.091 120.570 -0.290 0.000 2.649 619 I HA 0.490 4.659 4.170 -0.002 0.000 0.289 619 I C -1.506 174.150 176.117 -0.767 0.000 1.222 619 I CA -0.257 60.662 61.300 -0.635 0.000 1.046 619 I CB 2.279 40.106 38.000 -0.289 0.000 1.272 619 I HN 0.259 nan 8.210 nan 0.000 0.425 620 V N 10.813 129.973 119.914 -1.256 0.000 2.270 620 V HA 0.350 4.469 4.120 -0.002 0.000 0.263 620 V C -1.386 174.267 176.094 -0.735 0.000 1.066 620 V CA -0.977 60.739 62.300 -0.974 0.000 0.857 620 V CB 0.641 31.827 31.823 -1.062 0.000 1.099 620 V HN 0.701 nan 8.190 nan 0.000 0.476 621 P HA -0.201 nan 4.420 nan 0.000 0.217 621 P C 1.140 178.358 177.300 -0.136 0.000 1.148 621 P CA 1.660 64.690 63.100 -0.117 0.000 0.828 621 P CB 0.064 31.753 31.700 -0.017 0.000 0.783 622 Y N -2.206 117.995 120.300 -0.165 0.000 2.511 622 Y HA 0.232 4.781 4.550 -0.002 0.000 0.279 622 Y C 2.265 177.921 175.900 -0.407 0.000 1.157 622 Y CA -0.716 57.292 58.100 -0.153 0.000 1.300 622 Y CB -1.772 36.750 38.460 0.102 0.000 1.052 622 Y HN -0.209 nan 8.280 nan 0.000 0.529 623 I N 1.351 121.605 120.570 -0.526 0.000 2.248 623 I HA -0.296 3.873 4.170 -0.002 0.000 0.248 623 I C 2.639 178.424 176.117 -0.553 0.000 1.107 623 I CA 1.752 62.728 61.300 -0.540 0.000 1.373 623 I CB -0.745 36.903 38.000 -0.587 0.000 1.055 623 I HN 0.524 nan 8.210 nan 0.000 0.418 624 G N 0.918 109.265 108.800 -0.754 0.000 2.404 624 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.215 624 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.215 624 G C 1.686 176.468 174.900 -0.198 0.000 1.174 624 G CA 0.384 45.232 45.100 -0.420 0.000 0.780 624 G HN 0.266 nan 8.290 nan 0.000 0.537 625 L N 0.751 121.940 121.223 -0.057 0.000 2.046 625 L HA -0.045 4.294 4.340 -0.002 0.000 0.208 625 L C 3.405 180.409 176.870 0.223 0.000 1.077 625 L CA 0.985 55.930 54.840 0.175 0.000 0.747 625 L CB -0.389 41.849 42.059 0.298 0.000 0.896 625 L HN 0.304 nan 8.230 nan 0.000 0.432 626 A N -0.317 122.389 122.820 -0.190 0.000 1.933 626 A HA -0.109 4.210 4.320 -0.002 0.000 0.218 626 A C 2.072 179.613 177.584 -0.073 0.000 1.175 626 A CA 1.662 53.411 52.037 -0.481 0.000 0.628 626 A CB -0.252 17.901 19.000 -1.412 0.000 0.814 626 A HN 0.455 nan 8.150 nan 0.000 0.444 627 L N -3.397 117.720 121.223 -0.177 0.000 2.854 627 L HA 0.213 4.552 4.340 -0.002 0.000 0.249 627 L C 0.662 177.265 176.870 -0.444 0.000 1.091 627 L CA 0.407 55.143 54.840 -0.172 0.000 0.935 627 L CB 0.103 42.071 42.059 -0.152 0.000 1.367 627 L HN 0.420 nan 8.230 nan 0.000 0.524 628 N N 1.014 119.373 118.700 -0.568 0.000 2.725 628 N HA -0.198 4.541 4.740 -0.002 0.000 0.251 628 N C -0.642 174.632 175.510 -0.392 0.000 1.031 628 N CA 0.455 53.109 53.050 -0.660 0.000 0.720 628 N CB -0.881 36.742 38.487 -1.440 0.000 0.930 628 N HN 0.144 nan 8.380 nan 0.000 0.543 629 V N 0.368 120.137 119.914 -0.243 0.000 2.567 629 V HA 0.760 4.879 4.120 -0.002 0.000 0.289 629 V C 1.480 177.491 176.094 -0.137 0.000 1.049 629 V CA 1.118 63.312 62.300 -0.177 0.000 0.969 629 V CB 0.838 32.603 31.823 -0.096 0.000 0.995 629 V HN 0.983 nan 8.190 nan 0.000 0.471 630 G N 5.757 114.432 108.800 -0.208 0.000 2.509 630 G HA2 -0.300 3.658 3.960 -0.002 0.000 0.256 630 G HA3 -0.300 3.658 3.960 -0.002 0.000 0.256 630 G C 0.248 175.087 174.900 -0.102 0.000 1.152 630 G CA 0.399 45.396 45.100 -0.172 0.000 0.951 630 G HN 1.178 nan 8.290 nan 0.000 0.559 631 N N 2.941 121.616 118.700 -0.042 0.000 3.193 631 N HA 0.360 5.098 4.740 -0.002 0.000 0.312 631 N C 0.309 175.819 175.510 0.001 0.000 1.261 631 N CA 1.039 54.080 53.050 -0.015 0.000 1.208 631 N CB -1.056 37.431 38.487 -0.000 0.000 1.471 631 N HN 0.621 nan 8.380 nan 0.000 0.548 632 E N -1.172 119.012 120.200 -0.026 0.000 2.149 632 E HA -0.266 4.083 4.350 -0.002 0.000 0.191 632 E C 0.512 177.110 176.600 -0.003 0.000 1.384 632 E CA 0.937 57.318 56.400 -0.032 0.000 0.698 632 E CB -1.795 27.905 29.700 0.000 0.000 1.086 632 E HN 0.667 nan 8.360 nan 0.000 0.338 633 T N -3.369 111.189 114.554 0.006 0.000 3.113 633 T HA 0.153 4.502 4.350 -0.002 0.000 0.263 633 T C 1.572 176.332 174.700 0.100 0.000 1.143 633 T CA 0.517 62.695 62.100 0.130 0.000 1.090 633 T CB 0.314 69.333 68.868 0.250 0.000 0.922 633 T HN 0.415 nan 8.240 nan 0.000 0.521 634 A N 0.892 123.685 122.820 -0.045 0.000 2.251 634 A HA 0.277 4.596 4.320 -0.002 0.000 0.209 634 A C 0.854 178.490 177.584 0.086 0.000 1.187 634 A CA -0.115 51.909 52.037 -0.021 0.000 0.823 634 A CB -0.082 18.796 19.000 -0.204 0.000 0.846 634 A HN 0.507 nan 8.150 nan 0.000 0.486 635 K N -0.243 120.206 120.400 0.082 0.000 2.182 635 K HA 0.531 4.850 4.320 -0.002 0.000 0.262 635 K C 0.554 177.219 176.600 0.108 0.000 0.957 635 K CA 0.158 56.505 56.287 0.099 0.000 0.842 635 K CB 1.575 34.121 32.500 0.077 0.000 1.099 635 K HN 0.432 nan 8.250 nan 0.000 0.438 636 G N 2.427 111.293 108.800 0.110 0.000 2.499 636 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.232 636 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.232 636 G C -0.969 174.004 174.900 0.122 0.000 1.251 636 G CA -0.658 44.503 45.100 0.101 0.000 0.917 636 G HN 0.617 nan 8.290 nan 0.000 0.580 637 N N 0.502 119.268 118.700 0.109 0.000 2.444 637 N HA 0.488 5.227 4.740 -0.002 0.000 0.262 637 N C 0.863 176.454 175.510 0.135 0.000 0.974 637 N CA -0.330 52.794 53.050 0.123 0.000 0.933 637 N CB 1.183 39.723 38.487 0.088 0.000 1.137 637 N HN 0.459 nan 8.380 nan 0.000 0.498 638 F N 3.722 123.709 119.950 0.063 0.000 2.075 638 F HA -0.080 4.446 4.527 -0.002 0.000 0.297 638 F C 2.162 178.019 175.800 0.097 0.000 1.113 638 F CA 1.658 59.699 58.000 0.068 0.000 1.218 638 F CB 0.025 39.042 39.000 0.028 0.000 0.984 638 F HN 0.676 nan 8.300 nan 0.000 0.472 639 E N -0.055 120.193 120.200 0.080 0.000 2.114 639 E HA -0.357 3.992 4.350 -0.002 0.000 0.199 639 E C 2.025 178.623 176.600 -0.004 0.000 1.008 639 E CA 1.676 58.087 56.400 0.020 0.000 0.810 639 E CB -0.376 29.359 29.700 0.059 0.000 0.739 639 E HN 0.503 nan 8.360 nan 0.000 0.456 640 N N 0.095 118.796 118.700 0.002 0.000 2.080 640 N HA -0.155 4.584 4.740 -0.002 0.000 0.189 640 N C 1.694 177.179 175.510 -0.041 0.000 1.036 640 N CA 2.031 55.083 53.050 0.003 0.000 0.846 640 N CB -0.361 38.140 38.487 0.023 0.000 1.015 640 N HN 0.179 nan 8.380 nan 0.000 0.423 641 A N -0.576 122.193 122.820 -0.084 0.000 1.940 641 A HA -0.124 4.195 4.320 -0.002 0.000 0.219 641 A C 2.180 179.667 177.584 -0.160 0.000 1.176 641 A CA 1.321 53.290 52.037 -0.114 0.000 0.631 641 A CB -1.208 17.727 19.000 -0.108 0.000 0.814 641 A HN 0.532 nan 8.150 nan 0.000 0.446 642 F N 0.666 120.373 119.950 -0.406 0.000 2.146 642 F HA -0.079 4.447 4.527 -0.002 0.000 0.298 642 F C 2.115 177.828 175.800 -0.145 0.000 1.096 642 F CA 1.909 59.710 58.000 -0.331 0.000 1.275 642 F CB -0.280 38.458 39.000 -0.438 0.000 1.008 642 F HN 0.342 nan 8.300 nan 0.000 0.480 643 E N 0.166 120.339 120.200 -0.045 0.000 2.219 643 E HA -0.225 4.124 4.350 -0.002 0.000 0.198 643 E C 2.176 178.697 176.600 -0.133 0.000 0.998 643 E CA 1.607 57.969 56.400 -0.062 0.000 0.818 643 E CB -0.136 29.572 29.700 0.014 0.000 0.741 643 E HN 0.520 nan 8.360 nan 0.000 0.477 644 I N -0.466 120.021 120.570 -0.140 0.000 2.512 644 I HA -0.050 4.118 4.170 -0.002 0.000 0.247 644 I C 2.231 178.254 176.117 -0.157 0.000 1.094 644 I CA 0.685 61.913 61.300 -0.120 0.000 1.427 644 I CB 0.018 37.970 38.000 -0.081 0.000 1.149 644 I HN 0.017 nan 8.210 nan 0.000 0.438 645 A N 0.124 122.833 122.820 -0.186 0.000 2.063 645 A HA 0.471 4.790 4.320 -0.002 0.000 0.211 645 A C 1.385 178.811 177.584 -0.264 0.000 1.177 645 A CA 0.855 52.789 52.037 -0.172 0.000 0.759 645 A CB -0.381 18.555 19.000 -0.107 0.000 0.857 645 A HN 0.518 nan 8.150 nan 0.000 0.468 646 G N -1.357 107.138 108.800 -0.508 0.000 2.499 646 G HA2 0.115 4.073 3.960 -0.002 0.000 0.232 646 G HA3 0.115 4.073 3.960 -0.002 0.000 0.232 646 G C 1.122 175.718 174.900 -0.506 0.000 1.251 646 G CA 0.558 45.132 45.100 -0.876 0.000 0.917 646 G HN 1.399 nan 8.290 nan 0.000 0.580 647 A N -0.659 122.080 122.820 -0.136 0.000 2.125 647 A HA 0.250 4.569 4.320 -0.002 0.000 0.219 647 A C 2.591 180.386 177.584 0.352 0.000 1.156 647 A CA 2.727 54.964 52.037 0.335 0.000 0.671 647 A CB -0.608 18.602 19.000 0.351 0.000 0.794 647 A HN 1.498 nan 8.150 nan 0.000 0.459 648 S N 0.043 115.876 115.700 0.222 0.000 2.447 648 S HA -0.119 4.350 4.470 -0.002 0.000 0.233 648 S C 1.665 176.322 174.600 0.095 0.000 1.006 648 S CA 1.263 59.578 58.200 0.192 0.000 0.957 648 S CB -0.592 62.712 63.200 0.173 0.000 0.773 648 S HN 0.849 nan 8.310 nan 0.000 0.507 649 I N -1.589 119.049 120.570 0.115 0.000 3.111 649 I HA 0.105 4.273 4.170 -0.002 0.000 0.272 649 I C 1.492 177.701 176.117 0.154 0.000 1.268 649 I CA 0.907 62.270 61.300 0.104 0.000 1.467 649 I CB -0.274 37.784 38.000 0.096 0.000 1.087 649 I HN 0.130 nan 8.210 nan 0.000 0.467 650 L N 0.852 122.215 121.223 0.233 0.000 2.375 650 L HA 0.226 4.564 4.340 -0.002 0.000 0.215 650 L C 1.043 177.919 176.870 0.011 0.000 1.108 650 L CA 0.117 55.099 54.840 0.236 0.000 0.830 650 L CB -0.031 42.309 42.059 0.468 0.000 0.959 650 L HN 0.201 nan 8.230 nan 0.000 0.457 651 L N 0.619 121.767 121.223 -0.125 0.000 2.453 651 L HA -0.045 4.294 4.340 -0.002 0.000 0.272 651 L C 1.403 178.061 176.870 -0.354 0.000 1.182 651 L CA -0.032 54.600 54.840 -0.347 0.000 0.858 651 L CB 0.768 42.574 42.059 -0.421 0.000 1.120 651 L HN 0.033 nan 8.230 nan 0.000 0.474 652 E N 2.309 122.169 120.200 -0.567 0.000 2.299 652 E HA -0.015 4.334 4.350 -0.002 0.000 0.193 652 E C -0.635 175.645 176.600 -0.532 0.000 0.998 652 E CA 0.631 56.534 56.400 -0.828 0.000 0.851 652 E CB 0.310 28.963 29.700 -1.745 0.000 0.795 652 E HN 0.380 nan 8.360 nan 0.000 0.492 653 F N 0.167 119.839 119.950 -0.464 0.000 2.588 653 F HA 0.359 4.885 4.527 -0.002 0.000 0.314 653 F C -1.413 174.293 175.800 -0.156 0.000 1.134 653 F CA -1.211 56.678 58.000 -0.186 0.000 0.961 653 F CB 1.126 40.129 39.000 0.006 0.000 1.239 653 F HN -0.293 nan 8.300 nan 0.000 0.448 654 I N 8.049 128.147 120.570 -0.787 0.000 2.291 654 I HA 0.235 4.404 4.170 -0.002 0.000 0.292 654 I C -2.002 173.611 176.117 -0.840 0.000 1.064 654 I CA -2.117 58.843 61.300 -0.568 0.000 1.269 654 I CB 0.367 38.168 38.000 -0.332 0.000 1.418 654 I HN 0.370 nan 8.210 nan 0.000 0.485 655 P HA 0.133 nan 4.420 nan 0.000 0.271 655 P C -0.471 176.813 177.300 -0.026 0.000 1.218 655 P CA -0.296 62.786 63.100 -0.030 0.000 0.780 655 P CB 1.075 32.868 31.700 0.157 0.000 0.901 656 E N 2.054 122.295 120.200 0.067 0.000 2.044 656 E HA 0.240 4.589 4.350 -0.002 0.000 0.282 656 E C 0.044 176.674 176.600 0.049 0.000 1.031 656 E CA -0.512 55.913 56.400 0.042 0.000 0.824 656 E CB 0.427 30.168 29.700 0.069 0.000 1.076 656 E HN 0.390 nan 8.360 nan 0.000 0.395 657 L N 2.726 123.954 121.223 0.008 0.000 2.476 657 L HA 0.138 4.477 4.340 -0.002 0.000 0.264 657 L C 0.129 176.986 176.870 -0.023 0.000 1.224 657 L CA -0.412 54.410 54.840 -0.030 0.000 0.821 657 L CB 0.124 42.150 42.059 -0.055 0.000 1.101 657 L HN 0.379 nan 8.230 nan 0.000 0.488 658 L N 3.547 124.739 121.223 -0.053 0.000 2.301 658 L HA 0.479 4.818 4.340 -0.002 0.000 0.278 658 L C -0.631 176.208 176.870 -0.052 0.000 1.022 658 L CA 0.346 55.176 54.840 -0.017 0.000 0.854 658 L CB 0.380 42.463 42.059 0.040 0.000 1.226 658 L HN 0.321 nan 8.230 nan 0.000 0.429 659 I N 7.604 128.146 120.570 -0.046 0.000 2.521 659 I HA 0.367 4.535 4.170 -0.002 0.000 0.277 659 I C -2.216 173.869 176.117 -0.053 0.000 1.054 659 I CA -1.306 59.954 61.300 -0.068 0.000 1.117 659 I CB 1.421 39.374 38.000 -0.078 0.000 1.217 659 I HN 0.480 nan 8.210 nan 0.000 0.469 660 P HA 0.282 nan 4.420 nan 0.000 0.280 660 P C -0.423 176.847 177.300 -0.050 0.000 1.272 660 P CA -0.409 62.668 63.100 -0.038 0.000 0.819 660 P CB 1.843 33.528 31.700 -0.025 0.000 1.122 661 V N 1.709 121.609 119.914 -0.023 0.000 2.405 661 V HA 0.007 4.126 4.120 -0.002 0.000 0.264 661 V C 0.749 176.838 176.094 -0.009 0.000 1.048 661 V CA -0.492 61.805 62.300 -0.005 0.000 0.966 661 V CB 0.622 32.459 31.823 0.024 0.000 1.015 661 V HN 0.243 nan 8.190 nan 0.000 0.477 662 V N 5.942 125.821 119.914 -0.059 0.000 2.441 662 V HA 0.079 4.198 4.120 -0.002 0.000 0.279 662 V C 1.521 177.640 176.094 0.043 0.000 0.990 662 V CA 0.476 62.676 62.300 -0.166 0.000 1.116 662 V CB -0.204 31.226 31.823 -0.655 0.000 0.977 662 V HN 1.053 nan 8.190 nan 0.000 0.470 663 G N 4.732 113.573 108.800 0.068 0.000 2.341 663 G HA2 0.239 4.198 3.960 -0.002 0.000 0.231 663 G HA3 0.239 4.198 3.960 -0.002 0.000 0.231 663 G C 0.603 175.728 174.900 0.375 0.000 1.206 663 G CA 0.149 45.349 45.100 0.168 0.000 0.865 663 G HN 1.281 nan 8.290 nan 0.000 0.515 664 A N 1.520 124.530 122.820 0.316 0.000 2.448 664 A HA 0.576 4.895 4.320 -0.002 0.000 0.239 664 A C -0.168 177.749 177.584 0.554 0.000 1.080 664 A CA 0.084 52.345 52.037 0.372 0.000 0.779 664 A CB 0.218 19.335 19.000 0.195 0.000 1.026 664 A HN 0.500 nan 8.150 nan 0.000 0.499 665 F N -0.993 119.024 119.950 0.111 0.000 2.457 665 F HA 0.714 5.239 4.527 -0.002 0.000 0.330 665 F C 0.170 175.981 175.800 0.019 0.000 1.069 665 F CA -1.070 56.972 58.000 0.070 0.000 1.009 665 F CB 1.442 40.484 39.000 0.069 0.000 1.276 665 F HN 0.308 nan 8.300 nan 0.000 0.492 666 L N 2.347 123.641 121.223 0.118 0.000 2.528 666 L HA 0.298 4.637 4.340 -0.002 0.000 0.267 666 L C -0.620 176.237 176.870 -0.021 0.000 0.961 666 L CA -0.374 54.493 54.840 0.044 0.000 0.866 666 L CB 2.003 44.076 42.059 0.023 0.000 1.248 666 L HN 0.422 nan 8.230 nan 0.000 0.404 667 L N 1.499 122.674 121.223 -0.080 0.000 2.766 667 L HA 0.215 4.554 4.340 -0.002 0.000 0.242 667 L C 1.765 178.641 176.870 0.010 0.000 1.136 667 L CA 0.376 55.097 54.840 -0.198 0.000 0.933 667 L CB -0.158 41.436 42.059 -0.774 0.000 1.241 667 L HN 0.644 nan 8.230 nan 0.000 0.522 668 E N 0.597 120.849 120.200 0.086 0.000 2.041 668 E HA -0.311 4.038 4.350 -0.002 0.000 0.227 668 E C 1.095 177.774 176.600 0.132 0.000 1.039 668 E CA 1.677 58.164 56.400 0.145 0.000 0.904 668 E CB -0.219 29.536 29.700 0.092 0.000 0.808 668 E HN 0.237 nan 8.360 nan 0.000 0.510 669 S N -0.499 115.251 115.700 0.084 0.000 3.185 669 S HA -0.047 4.422 4.470 -0.002 0.000 0.242 669 S C -0.928 173.729 174.600 0.096 0.000 0.824 669 S CA 0.887 59.131 58.200 0.074 0.000 1.754 669 S CB -1.890 61.342 63.200 0.053 0.000 1.443 669 S HN 0.433 nan 8.310 nan 0.000 0.617 670 Y N -1.533 118.831 120.300 0.107 0.000 2.014 670 Y HA 0.439 4.988 4.550 -0.002 0.000 0.310 670 Y C -0.231 175.732 175.900 0.105 0.000 1.217 670 Y CA -1.120 57.044 58.100 0.105 0.000 1.665 670 Y CB -0.776 37.770 38.460 0.143 0.000 1.290 670 Y HN 0.745 nan 8.280 nan 0.000 0.372 671 I N 0.158 120.758 120.570 0.049 0.000 4.710 671 I HA 0.946 5.115 4.170 -0.002 0.000 0.168 671 I C 1.202 177.316 176.117 -0.005 0.000 0.791 671 I CA 0.618 61.930 61.300 0.020 0.000 1.936 671 I CB -0.018 37.989 38.000 0.012 0.000 1.185 671 I HN 2.775 nan 8.210 nan 0.000 0.388 672 D N -1.490 118.901 120.400 -0.016 0.000 10.998 672 D HA 0.248 4.887 4.640 -0.002 0.000 0.363 672 D C 0.294 176.577 176.300 -0.029 0.000 3.051 672 D CA 1.169 55.155 54.000 -0.023 0.000 2.547 672 D CB -1.832 38.953 40.800 -0.025 0.000 1.091 672 D HN 2.619 nan 8.370 nan 0.000 0.945 673 N N 0.049 118.732 118.700 -0.029 0.000 2.878 673 N HA 0.553 5.291 4.740 -0.002 0.000 0.282 673 N C 0.699 176.192 175.510 -0.028 0.000 1.284 673 N CA 1.481 54.514 53.050 -0.029 0.000 1.053 673 N CB -0.274 38.198 38.487 -0.025 0.000 1.382 673 N HN 1.378 nan 8.380 nan 0.000 0.529 674 K N -0.290 120.091 120.400 -0.033 0.000 2.284 674 K HA 0.542 4.861 4.320 -0.002 0.000 0.287 674 K C 0.985 177.570 176.600 -0.025 0.000 1.081 674 K CA 0.038 56.303 56.287 -0.038 0.000 0.910 674 K CB -0.855 31.606 32.500 -0.066 0.000 1.088 674 K HN 0.783 nan 8.250 nan 0.000 0.478 675 N N 1.141 119.831 118.700 -0.017 0.000 2.521 675 N HA 0.036 4.775 4.740 -0.002 0.000 0.188 675 N C 1.846 177.359 175.510 0.005 0.000 1.146 675 N CA 1.281 54.328 53.050 -0.003 0.000 0.893 675 N CB -0.333 38.152 38.487 -0.002 0.000 0.975 675 N HN 0.846 nan 8.380 nan 0.000 0.451 676 K N 0.645 121.040 120.400 -0.008 0.000 2.214 676 K HA 0.286 4.605 4.320 -0.002 0.000 0.201 676 K C 1.859 178.467 176.600 0.013 0.000 1.049 676 K CA 0.916 57.204 56.287 0.002 0.000 0.978 676 K CB -0.748 31.743 32.500 -0.015 0.000 0.842 676 K HN 0.677 nan 8.250 nan 0.000 0.474 677 I N -0.030 120.519 120.570 -0.035 0.000 3.164 677 I HA 0.010 4.179 4.170 -0.002 0.000 0.278 677 I C 1.996 178.169 176.117 0.092 0.000 1.320 677 I CA 0.237 61.527 61.300 -0.017 0.000 1.422 677 I CB -1.024 36.894 38.000 -0.138 0.000 1.066 677 I HN 0.381 nan 8.210 nan 0.000 0.503 678 I N 1.790 122.408 120.570 0.081 0.000 2.227 678 I HA -0.408 3.761 4.170 -0.002 0.000 0.250 678 I C 2.081 178.277 176.117 0.131 0.000 1.087 678 I CA 1.789 63.155 61.300 0.110 0.000 1.352 678 I CB -0.200 37.846 38.000 0.077 0.000 1.043 678 I HN 0.334 nan 8.210 nan 0.000 0.425 679 K N 0.217 120.691 120.400 0.123 0.000 2.589 679 K HA -0.115 4.204 4.320 -0.002 0.000 0.195 679 K C 1.536 178.209 176.600 0.120 0.000 1.040 679 K CA 1.321 57.679 56.287 0.119 0.000 0.950 679 K CB -0.398 32.177 32.500 0.126 0.000 0.781 679 K HN 0.415 nan 8.250 nan 0.000 0.486 680 T N 1.202 115.838 114.554 0.137 0.000 3.007 680 T HA -0.021 4.328 4.350 -0.002 0.000 0.270 680 T C 1.605 176.314 174.700 0.015 0.000 1.107 680 T CA 0.852 63.008 62.100 0.093 0.000 1.118 680 T CB -0.065 68.869 68.868 0.110 0.000 0.889 680 T HN 0.239 nan 8.240 nan 0.000 0.506 681 I N 0.261 120.860 120.570 0.047 0.000 2.729 681 I HA 0.013 4.182 4.170 -0.002 0.000 0.256 681 I C 2.441 178.593 176.117 0.058 0.000 1.115 681 I CA 0.497 61.813 61.300 0.027 0.000 1.446 681 I CB -0.236 37.814 38.000 0.083 0.000 1.176 681 I HN 0.079 nan 8.210 nan 0.000 0.446 682 D N 1.815 122.257 120.400 0.070 0.000 2.190 682 D HA -0.239 4.400 4.640 -0.002 0.000 0.200 682 D C 1.475 177.818 176.300 0.072 0.000 0.992 682 D CA 1.625 55.665 54.000 0.067 0.000 0.854 682 D CB -0.174 40.666 40.800 0.067 0.000 0.936 682 D HN 0.436 nan 8.370 nan 0.000 0.462 683 N N -0.803 117.941 118.700 0.074 0.000 2.422 683 N HA 0.078 4.817 4.740 -0.002 0.000 0.181 683 N C 1.556 177.135 175.510 0.116 0.000 1.080 683 N CA 0.388 53.484 53.050 0.078 0.000 0.893 683 N CB 0.275 38.793 38.487 0.051 0.000 0.973 683 N HN 0.119 nan 8.380 nan 0.000 0.456 684 A N 0.759 123.658 122.820 0.131 0.000 2.021 684 A HA 0.059 4.378 4.320 -0.002 0.000 0.216 684 A C 2.028 179.758 177.584 0.244 0.000 1.163 684 A CA 0.503 52.688 52.037 0.246 0.000 0.676 684 A CB -0.189 18.919 19.000 0.180 0.000 0.818 684 A HN 0.117 nan 8.150 nan 0.000 0.453 685 L N -0.211 121.095 121.223 0.139 0.000 2.007 685 L HA -0.123 4.216 4.340 -0.002 0.000 0.205 685 L C 2.996 179.945 176.870 0.131 0.000 1.073 685 L CA 1.832 56.734 54.840 0.103 0.000 0.744 685 L CB -1.091 41.003 42.059 0.058 0.000 0.898 685 L HN 0.563 nan 8.230 nan 0.000 0.435 686 T N -2.638 111.990 114.554 0.123 0.000 2.849 686 T HA -0.220 4.129 4.350 -0.002 0.000 0.270 686 T C 1.783 176.596 174.700 0.188 0.000 1.066 686 T CA 1.209 63.389 62.100 0.133 0.000 1.130 686 T CB -0.202 68.733 68.868 0.112 0.000 0.864 686 T HN -0.010 nan 8.240 nan 0.000 0.481 687 K N 1.135 121.668 120.400 0.223 0.000 2.296 687 K HA 0.146 4.465 4.320 -0.002 0.000 0.200 687 K C 2.461 179.280 176.600 0.366 0.000 1.048 687 K CA 0.327 56.776 56.287 0.270 0.000 0.966 687 K CB -0.239 32.450 32.500 0.315 0.000 0.754 687 K HN 0.274 nan 8.250 nan 0.000 0.466 688 R N 0.552 121.261 120.500 0.348 0.000 2.073 688 R HA -0.017 4.322 4.340 -0.002 0.000 0.229 688 R C 1.007 177.520 176.300 0.355 0.000 1.120 688 R CA 1.248 57.575 56.100 0.379 0.000 0.967 688 R CB -0.358 30.119 30.300 0.295 0.000 0.862 688 R HN 0.223 nan 8.270 nan 0.000 0.436 689 N N 1.379 120.219 118.700 0.233 0.000 2.223 689 N HA -0.184 4.554 4.740 -0.002 0.000 0.185 689 N C 1.588 177.280 175.510 0.303 0.000 1.016 689 N CA 1.142 54.307 53.050 0.192 0.000 0.863 689 N CB -0.173 38.386 38.487 0.120 0.000 0.983 689 N HN 0.495 nan 8.380 nan 0.000 0.429 690 E N 1.001 121.374 120.200 0.289 0.000 2.107 690 E HA -0.103 4.246 4.350 -0.002 0.000 0.191 690 E C 1.262 177.943 176.600 0.134 0.000 0.982 690 E CA 0.759 57.284 56.400 0.209 0.000 0.809 690 E CB 0.257 29.941 29.700 -0.027 0.000 0.756 690 E HN 0.065 nan 8.360 nan 0.000 0.459 691 K N -0.063 120.416 120.400 0.131 0.000 2.148 691 K HA -0.150 4.169 4.320 -0.002 0.000 0.204 691 K C 1.670 178.254 176.600 -0.025 0.000 1.050 691 K CA 0.840 57.120 56.287 -0.011 0.000 0.942 691 K CB -0.370 32.025 32.500 -0.176 0.000 0.724 691 K HN 0.280 nan 8.250 nan 0.000 0.446 692 W N 1.362 122.599 121.300 -0.105 0.000 2.381 692 W HA -0.120 4.539 4.660 -0.002 0.000 0.321 692 W C 2.858 179.234 176.519 -0.238 0.000 1.196 692 W CA 1.740 58.945 57.345 -0.233 0.000 1.304 692 W CB -1.097 28.250 29.460 -0.188 0.000 1.166 692 W HN 0.035 nan 8.180 nan 0.000 0.473 693 S N 0.233 116.113 115.700 0.300 0.000 2.380 693 S HA -0.298 4.171 4.470 -0.002 0.000 0.229 693 S C 1.543 176.382 174.600 0.398 0.000 1.050 693 S CA 2.373 60.858 58.200 0.475 0.000 1.100 693 S CB -0.741 62.782 63.200 0.538 0.000 0.984 693 S HN 0.197 nan 8.310 nan 0.000 0.434 694 D N 0.284 120.823 120.400 0.231 0.000 2.158 694 D HA -0.122 4.517 4.640 -0.002 0.000 0.197 694 D C 1.879 178.198 176.300 0.032 0.000 0.995 694 D CA 1.466 55.544 54.000 0.129 0.000 0.846 694 D CB -0.316 40.503 40.800 0.032 0.000 0.941 694 D HN 0.414 nan 8.370 nan 0.000 0.456 695 M N -0.886 118.679 119.600 -0.058 0.000 2.132 695 M HA -0.118 4.360 4.480 -0.002 0.000 0.263 695 M C 1.606 177.870 176.300 -0.060 0.000 1.065 695 M CA 1.474 56.694 55.300 -0.132 0.000 1.122 695 M CB -0.607 31.817 32.600 -0.293 0.000 1.365 695 M HN 0.198 nan 8.290 nan 0.000 0.411 696 Y N -0.670 119.555 120.300 -0.125 0.000 2.114 696 Y HA -0.174 4.375 4.550 -0.002 0.000 0.284 696 Y C 2.361 177.959 175.900 -0.503 0.000 1.143 696 Y CA 0.621 58.561 58.100 -0.265 0.000 1.135 696 Y CB -0.875 37.575 38.460 -0.017 0.000 0.980 696 Y HN 0.409 nan 8.280 nan 0.000 0.499 697 G N 0.190 108.711 108.800 -0.464 0.000 2.475 697 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.220 697 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.220 697 G C 1.513 176.343 174.900 -0.117 0.000 1.125 697 G CA 1.026 45.872 45.100 -0.424 0.000 0.755 697 G HN 0.299 nan 8.290 nan 0.000 0.565 698 L N 0.660 121.839 121.223 -0.072 0.000 2.046 698 L HA -0.002 4.337 4.340 -0.002 0.000 0.208 698 L C 2.505 179.295 176.870 -0.132 0.000 1.077 698 L CA 1.306 56.113 54.840 -0.055 0.000 0.747 698 L CB -0.421 41.605 42.059 -0.056 0.000 0.896 698 L HN 0.097 nan 8.230 nan 0.000 0.432 699 I N -0.889 119.590 120.570 -0.152 0.000 2.113 699 I HA -0.218 3.950 4.170 -0.002 0.000 0.238 699 I C 2.609 178.667 176.117 -0.098 0.000 1.070 699 I CA 1.322 62.517 61.300 -0.174 0.000 1.332 699 I CB -1.444 36.413 38.000 -0.239 0.000 1.044 699 I HN 0.082 nan 8.210 nan 0.000 0.402 700 V N 1.713 121.571 119.914 -0.095 0.000 2.313 700 V HA -0.346 3.773 4.120 -0.002 0.000 0.253 700 V C 2.841 179.044 176.094 0.181 0.000 1.070 700 V CA 2.095 64.466 62.300 0.118 0.000 1.057 700 V CB -1.300 30.580 31.823 0.095 0.000 0.653 700 V HN 0.517 nan 8.190 nan 0.000 0.450 701 A N -0.967 121.897 122.820 0.073 0.000 1.933 701 A HA -0.270 4.049 4.320 -0.002 0.000 0.218 701 A C 2.171 179.783 177.584 0.046 0.000 1.175 701 A CA 1.919 54.022 52.037 0.110 0.000 0.628 701 A CB -0.381 18.719 19.000 0.167 0.000 0.814 701 A HN 0.681 nan 8.150 nan 0.000 0.444 702 Q N -2.366 117.330 119.800 -0.173 0.000 2.212 702 Q HA -0.136 4.203 4.340 -0.002 0.000 0.199 702 Q C 1.888 177.888 176.000 0.001 0.000 0.950 702 Q CA 1.078 56.700 55.803 -0.302 0.000 0.863 702 Q CB -0.226 28.172 28.738 -0.568 0.000 0.944 702 Q HN 0.892 nan 8.270 nan 0.000 0.465 703 W N 1.913 123.156 121.300 -0.096 0.000 2.354 703 W HA -0.149 4.509 4.660 -0.002 0.000 0.315 703 W C 1.451 177.974 176.519 0.007 0.000 1.206 703 W CA 1.245 58.579 57.345 -0.018 0.000 1.290 703 W CB -0.419 29.035 29.460 -0.011 0.000 1.152 703 W HN -0.008 nan 8.180 nan 0.000 0.489 704 L N 1.111 122.202 121.223 -0.220 0.000 2.191 704 L HA -0.173 4.166 4.340 -0.002 0.000 0.212 704 L C 2.399 179.079 176.870 -0.316 0.000 1.103 704 L CA 1.777 56.358 54.840 -0.431 0.000 0.769 704 L CB -0.904 41.018 42.059 -0.228 0.000 0.908 704 L HN 0.204 nan 8.230 nan 0.000 0.438 705 S N -3.423 112.186 115.700 -0.151 0.000 2.559 705 S HA 0.036 4.505 4.470 -0.002 0.000 0.226 705 S C 1.353 175.979 174.600 0.043 0.000 1.000 705 S CA 0.256 58.388 58.200 -0.113 0.000 0.948 705 S CB 0.234 63.440 63.200 0.009 0.000 0.870 705 S HN 0.456 nan 8.310 nan 0.000 0.497 706 T N -2.371 112.191 114.554 0.014 0.000 2.966 706 T HA 0.350 4.699 4.350 -0.002 0.000 0.254 706 T C 1.237 175.921 174.700 -0.027 0.000 0.961 706 T CA 0.518 62.644 62.100 0.044 0.000 0.915 706 T CB 0.023 68.948 68.868 0.095 0.000 1.186 706 T HN 0.120 nan 8.240 nan 0.000 0.505 707 V N 1.639 121.499 119.914 -0.091 0.000 2.870 707 V HA 0.261 4.380 4.120 -0.002 0.000 0.232 707 V C 2.459 178.422 176.094 -0.218 0.000 1.161 707 V CA 0.957 63.142 62.300 -0.191 0.000 1.204 707 V CB -0.552 31.273 31.823 0.004 0.000 1.003 707 V HN 0.377 nan 8.190 nan 0.000 0.499 708 N N 1.023 119.547 118.700 -0.294 0.000 2.348 708 N HA -0.173 4.566 4.740 -0.002 0.000 0.185 708 N C 1.810 177.289 175.510 -0.052 0.000 1.019 708 N CA 1.948 54.870 53.050 -0.213 0.000 0.880 708 N CB -0.109 37.952 38.487 -0.712 0.000 0.965 708 N HN 0.691 nan 8.380 nan 0.000 0.437 709 T N -2.410 112.096 114.554 -0.078 0.000 2.777 709 T HA -0.119 4.230 4.350 -0.002 0.000 0.266 709 T C 1.704 176.517 174.700 0.189 0.000 1.040 709 T CA 0.962 63.096 62.100 0.055 0.000 1.141 709 T CB -0.405 68.515 68.868 0.087 0.000 0.868 709 T HN 0.251 nan 8.240 nan 0.000 0.444 710 Q N 0.163 120.029 119.800 0.111 0.000 2.050 710 Q HA 0.019 4.358 4.340 -0.002 0.000 0.202 710 Q C 2.144 178.234 176.000 0.149 0.000 0.980 710 Q CA 1.428 57.350 55.803 0.197 0.000 0.840 710 Q CB -0.427 28.260 28.738 -0.085 0.000 0.898 710 Q HN 0.593 nan 8.270 nan 0.000 0.424 711 F N -0.392 119.633 119.950 0.124 0.000 2.134 711 F HA -0.278 4.248 4.527 -0.002 0.000 0.299 711 F C 2.355 178.210 175.800 0.091 0.000 1.097 711 F CA 0.926 58.979 58.000 0.088 0.000 1.264 711 F CB -0.279 38.756 39.000 0.058 0.000 1.001 711 F HN 0.134 nan 8.300 nan 0.000 0.479 712 Y N 1.284 121.691 120.300 0.179 0.000 2.114 712 Y HA -0.319 4.230 4.550 -0.002 0.000 0.282 712 Y C 2.468 178.401 175.900 0.054 0.000 1.165 712 Y CA 2.210 60.364 58.100 0.090 0.000 1.148 712 Y CB -1.053 37.433 38.460 0.043 0.000 0.972 712 Y HN -0.086 nan 8.280 nan 0.000 0.504 713 T N 1.150 115.708 114.554 0.006 0.000 2.833 713 T HA -0.174 4.174 4.350 -0.002 0.000 0.269 713 T C 1.945 176.535 174.700 -0.183 0.000 1.054 713 T CA 1.826 63.797 62.100 -0.214 0.000 1.135 713 T CB -0.370 68.196 68.868 -0.504 0.000 0.869 713 T HN 0.386 nan 8.240 nan 0.000 0.466 714 I N 0.515 121.079 120.570 -0.010 0.000 2.233 714 I HA -0.121 4.048 4.170 -0.002 0.000 0.243 714 I C 2.527 178.643 176.117 -0.002 0.000 1.093 714 I CA 1.133 62.458 61.300 0.040 0.000 1.380 714 I CB -0.264 37.849 38.000 0.188 0.000 1.067 714 I HN 0.151 nan 8.210 nan 0.000 0.413 715 K N 0.627 121.019 120.400 -0.014 0.000 2.044 715 K HA -0.208 4.111 4.320 -0.002 0.000 0.210 715 K C 2.044 178.604 176.600 -0.067 0.000 1.049 715 K CA 1.348 57.617 56.287 -0.030 0.000 0.927 715 K CB -0.212 32.258 32.500 -0.049 0.000 0.713 715 K HN 0.291 nan 8.250 nan 0.000 0.443 716 E N 0.164 120.238 120.200 -0.210 0.000 2.031 716 E HA -0.141 4.208 4.350 -0.002 0.000 0.193 716 E C 2.279 178.875 176.600 -0.006 0.000 0.994 716 E CA 1.415 57.717 56.400 -0.164 0.000 0.800 716 E CB -0.516 28.993 29.700 -0.319 0.000 0.752 716 E HN 0.480 nan 8.360 nan 0.000 0.447 717 G N 0.871 109.645 108.800 -0.042 0.000 2.462 717 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.220 717 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.220 717 G C 1.510 176.441 174.900 0.052 0.000 1.121 717 G CA 0.778 45.884 45.100 0.010 0.000 0.758 717 G HN 0.107 nan 8.290 nan 0.000 0.559 718 M N -0.842 118.785 119.600 0.046 0.000 2.200 718 M HA 0.104 4.583 4.480 -0.002 0.000 0.265 718 M C 2.233 178.609 176.300 0.127 0.000 1.066 718 M CA 0.423 55.761 55.300 0.064 0.000 1.127 718 M CB -1.081 31.558 32.600 0.064 0.000 1.379 718 M HN 0.382 nan 8.290 nan 0.000 0.420 719 Y N 1.504 121.815 120.300 0.018 0.000 2.145 719 Y HA -0.225 4.323 4.550 -0.002 0.000 0.286 719 Y C 2.257 178.159 175.900 0.004 0.000 1.145 719 Y CA 1.920 60.032 58.100 0.019 0.000 1.148 719 Y CB -0.196 38.256 38.460 -0.014 0.000 0.981 719 Y HN 0.144 nan 8.280 nan 0.000 0.507 720 K N -0.206 120.192 120.400 -0.004 0.000 2.057 720 K HA -0.130 4.189 4.320 -0.002 0.000 0.206 720 K C 2.376 178.954 176.600 -0.036 0.000 1.050 720 K CA 1.114 57.299 56.287 -0.170 0.000 0.935 720 K CB -0.420 32.085 32.500 0.009 0.000 0.715 720 K HN 0.387 nan 8.250 nan 0.000 0.439 721 A N 1.410 124.333 122.820 0.172 0.000 1.883 721 A HA -0.168 4.151 4.320 -0.002 0.000 0.217 721 A C 2.126 179.892 177.584 0.303 0.000 1.186 721 A CA 1.388 53.619 52.037 0.323 0.000 0.624 721 A CB -0.737 18.369 19.000 0.177 0.000 0.822 721 A HN 0.184 nan 8.150 nan 0.000 0.444 722 L N -0.463 120.875 121.223 0.192 0.000 2.141 722 L HA -0.186 4.152 4.340 -0.002 0.000 0.209 722 L C 2.584 179.513 176.870 0.098 0.000 1.094 722 L CA 1.318 56.266 54.840 0.179 0.000 0.763 722 L CB -0.482 41.679 42.059 0.169 0.000 0.908 722 L HN 0.566 nan 8.230 nan 0.000 0.437 723 N N -0.463 118.172 118.700 -0.108 0.000 2.080 723 N HA -0.206 4.532 4.740 -0.002 0.000 0.189 723 N C 2.027 177.508 175.510 -0.047 0.000 1.036 723 N CA 1.274 54.206 53.050 -0.197 0.000 0.846 723 N CB -0.077 38.113 38.487 -0.496 0.000 1.015 723 N HN 0.280 nan 8.380 nan 0.000 0.423 724 Y N 1.310 121.614 120.300 0.007 0.000 2.241 724 Y HA -0.217 4.332 4.550 -0.002 0.000 0.286 724 Y C 2.780 178.724 175.900 0.074 0.000 1.166 724 Y CA 0.834 58.963 58.100 0.049 0.000 1.203 724 Y CB 0.046 38.550 38.460 0.072 0.000 0.977 724 Y HN 0.166 nan 8.280 nan 0.000 0.529 725 Q N -0.172 119.753 119.800 0.209 0.000 2.050 725 Q HA -0.166 4.173 4.340 -0.002 0.000 0.202 725 Q C 2.628 178.773 176.000 0.243 0.000 0.980 725 Q CA 1.460 57.343 55.803 0.134 0.000 0.840 725 Q CB -0.761 27.921 28.738 -0.094 0.000 0.898 725 Q HN 0.529 nan 8.270 nan 0.000 0.424 726 A N 0.743 123.664 122.820 0.170 0.000 1.902 726 A HA -0.233 4.086 4.320 -0.002 0.000 0.217 726 A C 2.113 179.676 177.584 -0.035 0.000 1.181 726 A CA 1.622 53.559 52.037 -0.168 0.000 0.623 726 A CB -0.517 18.323 19.000 -0.266 0.000 0.818 726 A HN 0.404 nan 8.150 nan 0.000 0.443 727 Q N -0.554 119.288 119.800 0.069 0.000 2.061 727 Q HA -0.131 4.207 4.340 -0.002 0.000 0.204 727 Q C 2.431 178.569 176.000 0.229 0.000 0.984 727 Q CA 1.669 57.558 55.803 0.143 0.000 0.846 727 Q CB -0.431 28.412 28.738 0.174 0.000 0.902 727 Q HN 0.691 nan 8.270 nan 0.000 0.421 728 A N 0.638 123.613 122.820 0.257 0.000 1.877 728 A HA -0.192 4.127 4.320 -0.002 0.000 0.216 728 A C 2.032 179.676 177.584 0.099 0.000 1.186 728 A CA 1.321 53.471 52.037 0.188 0.000 0.620 728 A CB -0.719 18.368 19.000 0.145 0.000 0.822 728 A HN 0.368 nan 8.150 nan 0.000 0.443 729 L N 0.293 121.583 121.223 0.110 0.000 2.042 729 L HA -0.173 4.165 4.340 -0.002 0.000 0.210 729 L C 2.324 179.239 176.870 0.075 0.000 1.076 729 L CA 2.836 57.727 54.840 0.085 0.000 0.749 729 L CB -0.738 41.357 42.059 0.059 0.000 0.893 729 L HN 0.642 nan 8.230 nan 0.000 0.432 730 E N -0.896 119.344 120.200 0.066 0.000 2.106 730 E HA -0.289 4.060 4.350 -0.002 0.000 0.192 730 E C 2.048 178.772 176.600 0.206 0.000 0.984 730 E CA 1.189 57.665 56.400 0.127 0.000 0.806 730 E CB -0.147 29.621 29.700 0.112 0.000 0.750 730 E HN 0.555 nan 8.360 nan 0.000 0.458 731 E N 0.794 121.100 120.200 0.178 0.000 2.077 731 E HA -0.153 4.196 4.350 -0.002 0.000 0.193 731 E C 1.889 178.587 176.600 0.164 0.000 0.989 731 E CA 1.563 58.065 56.400 0.169 0.000 0.800 731 E CB -0.269 29.502 29.700 0.118 0.000 0.746 731 E HN 0.463 nan 8.360 nan 0.000 0.452 732 I N 0.251 120.904 120.570 0.138 0.000 2.179 732 I HA -0.262 3.907 4.170 -0.002 0.000 0.242 732 I C 2.326 178.660 176.117 0.361 0.000 1.088 732 I CA 1.032 62.452 61.300 0.200 0.000 1.357 732 I CB -0.303 37.803 38.000 0.177 0.000 1.051 732 I HN 0.171 nan 8.210 nan 0.000 0.409 733 I N 0.780 121.586 120.570 0.392 0.000 2.118 733 I HA -0.360 3.809 4.170 -0.002 0.000 0.241 733 I C 2.559 179.042 176.117 0.610 0.000 1.070 733 I CA 1.697 63.317 61.300 0.533 0.000 1.327 733 I CB -0.520 37.661 38.000 0.302 0.000 1.034 733 I HN 0.217 nan 8.210 nan 0.000 0.405 734 K N -0.205 120.512 120.400 0.529 0.000 2.063 734 K HA -0.255 4.064 4.320 -0.002 0.000 0.208 734 K C 2.215 179.045 176.600 0.384 0.000 1.048 734 K CA 1.803 58.387 56.287 0.495 0.000 0.928 734 K CB -0.412 32.272 32.500 0.308 0.000 0.713 734 K HN 0.260 nan 8.250 nan 0.000 0.442 735 Y N 2.018 122.424 120.300 0.176 0.000 2.114 735 Y HA -0.208 4.341 4.550 -0.002 0.000 0.284 735 Y C 2.182 178.066 175.900 -0.027 0.000 1.143 735 Y CA 1.445 59.577 58.100 0.053 0.000 1.135 735 Y CB -0.028 38.437 38.460 0.008 0.000 0.980 735 Y HN -0.088 nan 8.280 nan 0.000 0.499 736 R N -0.573 119.908 120.500 -0.032 0.000 2.117 736 R HA -0.249 4.089 4.340 -0.002 0.000 0.243 736 R C 2.149 178.040 176.300 -0.681 0.000 1.143 736 R CA 1.828 57.708 56.100 -0.366 0.000 0.968 736 R CB -1.784 28.460 30.300 -0.092 0.000 0.863 736 R HN 0.542 nan 8.270 nan 0.000 0.444 737 Y N 2.279 122.364 120.300 -0.358 0.000 2.163 737 Y HA -0.109 4.440 4.550 -0.002 0.000 0.288 737 Y C 1.460 177.234 175.900 -0.210 0.000 1.136 737 Y CA 1.416 59.349 58.100 -0.277 0.000 1.147 737 Y CB -0.356 38.301 38.460 0.329 0.000 0.987 737 Y HN 0.014 nan 8.280 nan 0.000 0.509 738 N N 0.464 119.037 118.700 -0.211 0.000 2.575 738 N HA -0.067 4.672 4.740 -0.002 0.000 0.192 738 N C 1.446 176.715 175.510 -0.402 0.000 1.200 738 N CA 0.471 53.345 53.050 -0.294 0.000 0.897 738 N CB -0.063 38.359 38.487 -0.109 0.000 0.990 738 N HN 0.402 nan 8.380 nan 0.000 0.449 739 I N 0.012 120.209 120.570 -0.621 0.000 2.584 739 I HA -0.064 4.104 4.170 -0.002 0.000 0.255 739 I C 0.483 176.328 176.117 -0.452 0.000 1.145 739 I CA 0.339 61.270 61.300 -0.615 0.000 1.462 739 I CB -0.539 36.975 38.000 -0.810 0.000 1.102 739 I HN 0.021 nan 8.210 nan 0.000 0.433 740 Y N 1.620 121.696 120.300 -0.372 0.000 2.426 740 Y HA 0.055 4.604 4.550 -0.002 0.000 0.344 740 Y C 1.629 177.367 175.900 -0.270 0.000 1.256 740 Y CA -0.630 57.279 58.100 -0.318 0.000 1.451 740 Y CB 0.318 38.554 38.460 -0.374 0.000 1.342 740 Y HN 0.043 nan 8.280 nan 0.000 0.600 741 S N 0.371 116.060 115.700 -0.019 0.000 2.624 741 S HA 0.067 4.535 4.470 -0.002 0.000 0.263 741 S C 0.799 175.350 174.600 -0.082 0.000 1.287 741 S CA -0.813 57.350 58.200 -0.062 0.000 0.990 741 S CB 0.962 64.133 63.200 -0.047 0.000 0.950 741 S HN 0.681 nan 8.310 nan 0.000 0.561 742 E N 0.577 120.733 120.200 -0.073 0.000 2.150 742 E HA -0.097 4.252 4.350 -0.002 0.000 0.193 742 E C 1.742 178.312 176.600 -0.050 0.000 0.985 742 E CA 0.649 57.011 56.400 -0.065 0.000 0.814 742 E CB -0.256 29.418 29.700 -0.043 0.000 0.752 742 E HN 0.562 nan 8.360 nan 0.000 0.466 743 K N 1.500 121.873 120.400 -0.046 0.000 2.026 743 K HA -0.156 4.163 4.320 -0.002 0.000 0.208 743 K C 1.795 178.363 176.600 -0.052 0.000 1.048 743 K CA 1.283 57.546 56.287 -0.039 0.000 0.929 743 K CB 0.001 32.479 32.500 -0.037 0.000 0.713 743 K HN 0.202 nan 8.250 nan 0.000 0.439 744 E N 0.285 120.436 120.200 -0.081 0.000 2.046 744 E HA -0.128 4.221 4.350 -0.002 0.000 0.190 744 E C 2.128 178.651 176.600 -0.129 0.000 0.982 744 E CA 0.968 57.288 56.400 -0.133 0.000 0.800 744 E CB -0.024 29.551 29.700 -0.208 0.000 0.756 744 E HN 0.266 nan 8.360 nan 0.000 0.449 745 K N 0.757 121.084 120.400 -0.123 0.000 2.074 745 K HA -0.137 4.182 4.320 -0.002 0.000 0.209 745 K C 2.333 178.977 176.600 0.074 0.000 1.048 745 K CA 1.446 57.698 56.287 -0.058 0.000 0.926 745 K CB -0.153 32.238 32.500 -0.182 0.000 0.713 745 K HN -0.041 nan 8.250 nan 0.000 0.444 746 S N 1.253 116.970 115.700 0.029 0.000 2.419 746 S HA -0.092 4.377 4.470 -0.002 0.000 0.235 746 S C 1.343 175.973 174.600 0.050 0.000 1.019 746 S CA 1.102 59.331 58.200 0.048 0.000 0.982 746 S CB -0.165 63.048 63.200 0.020 0.000 0.789 746 S HN 0.337 nan 8.310 nan 0.000 0.490 747 N N 0.433 119.148 118.700 0.026 0.000 2.325 747 N HA 0.222 4.960 4.740 -0.002 0.000 0.182 747 N C 0.033 175.569 175.510 0.043 0.000 1.088 747 N CA 0.134 53.197 53.050 0.022 0.000 0.879 747 N CB 0.344 38.827 38.487 -0.008 0.000 0.983 747 N HN 0.379 nan 8.380 nan 0.000 0.471 748 I N 2.175 122.795 120.570 0.083 0.000 2.452 748 I HA -0.016 4.152 4.170 -0.002 0.000 0.287 748 I C 0.552 176.762 176.117 0.155 0.000 1.079 748 I CA -0.213 61.176 61.300 0.149 0.000 1.387 748 I CB 0.308 38.484 38.000 0.292 0.000 1.404 748 I HN -0.144 nan 8.210 nan 0.000 0.522 749 N N 8.785 127.544 118.700 0.098 0.000 2.555 749 N HA 0.300 5.039 4.740 -0.002 0.000 0.244 749 N C -1.052 174.470 175.510 0.020 0.000 1.114 749 N CA 0.064 53.147 53.050 0.054 0.000 0.963 749 N CB 0.376 38.877 38.487 0.023 0.000 1.276 749 N HN 0.534 nan 8.380 nan 0.000 0.510 750 I N 1.568 122.146 120.570 0.014 0.000 2.533 750 I HA 0.275 4.444 4.170 -0.002 0.000 0.290 750 I C -1.274 174.790 176.117 -0.089 0.000 1.056 750 I CA -0.709 60.528 61.300 -0.104 0.000 1.057 750 I CB 1.757 39.647 38.000 -0.184 0.000 1.240 750 I HN 0.182 nan 8.210 nan 0.000 0.423 751 D N 6.954 127.266 120.400 -0.146 0.000 2.458 751 D HA 0.172 4.811 4.640 -0.002 0.000 0.258 751 D C 0.668 176.912 176.300 -0.094 0.000 1.134 751 D CA -0.342 53.621 54.000 -0.062 0.000 0.915 751 D CB 0.503 41.275 40.800 -0.048 0.000 1.028 751 D HN 0.464 nan 8.370 nan 0.000 0.508 752 F N 1.480 121.383 119.950 -0.079 0.000 2.346 752 F HA -0.175 4.351 4.527 -0.002 0.000 0.301 752 F C 2.036 177.807 175.800 -0.050 0.000 1.070 752 F CA 0.888 58.846 58.000 -0.069 0.000 1.407 752 F CB 0.004 38.970 39.000 -0.057 0.000 1.072 752 F HN 0.328 nan 8.300 nan 0.000 0.543 753 N N -0.418 118.346 118.700 0.106 0.000 2.376 753 N HA -0.118 4.621 4.740 -0.002 0.000 0.177 753 N C 1.417 176.930 175.510 0.005 0.000 1.024 753 N CA 1.146 54.230 53.050 0.057 0.000 0.893 753 N CB -0.292 38.224 38.487 0.047 0.000 0.980 753 N HN 0.368 nan 8.380 nan 0.000 0.439 754 D N 0.335 120.719 120.400 -0.028 0.000 2.289 754 D HA 0.136 4.774 4.640 -0.002 0.000 0.207 754 D C 1.949 178.196 176.300 -0.089 0.000 0.966 754 D CA 0.213 54.181 54.000 -0.054 0.000 0.868 754 D CB 0.297 41.060 40.800 -0.062 0.000 0.943 754 D HN 0.088 nan 8.370 nan 0.000 0.514 755 I N 0.251 120.744 120.570 -0.128 0.000 2.133 755 I HA -0.219 3.950 4.170 -0.002 0.000 0.238 755 I C 1.868 177.909 176.117 -0.126 0.000 1.074 755 I CA 0.911 62.103 61.300 -0.179 0.000 1.342 755 I CB -0.273 37.557 38.000 -0.283 0.000 1.053 755 I HN 0.033 nan 8.210 nan 0.000 0.404 756 N N 0.281 118.940 118.700 -0.068 0.000 2.104 756 N HA -0.208 4.531 4.740 -0.002 0.000 0.190 756 N C 1.964 177.446 175.510 -0.047 0.000 1.024 756 N CA 1.611 54.631 53.050 -0.050 0.000 0.853 756 N CB -0.337 38.153 38.487 0.005 0.000 1.008 756 N HN 0.194 nan 8.380 nan 0.000 0.424 757 S N 0.427 116.109 115.700 -0.031 0.000 2.365 757 S HA -0.166 4.303 4.470 -0.002 0.000 0.225 757 S C 1.707 176.292 174.600 -0.026 0.000 1.039 757 S CA 1.382 59.570 58.200 -0.020 0.000 1.033 757 S CB -0.115 63.076 63.200 -0.016 0.000 0.887 757 S HN 0.235 nan 8.310 nan 0.000 0.447 758 K N 0.262 120.634 120.400 -0.047 0.000 2.097 758 K HA 0.083 4.402 4.320 -0.002 0.000 0.205 758 K C 2.175 178.753 176.600 -0.037 0.000 1.050 758 K CA 1.271 57.533 56.287 -0.042 0.000 0.938 758 K CB -0.281 32.181 32.500 -0.064 0.000 0.718 758 K HN 0.378 nan 8.250 nan 0.000 0.442 759 L N 1.179 122.342 121.223 -0.100 0.000 2.056 759 L HA -0.201 4.138 4.340 -0.002 0.000 0.207 759 L C 2.406 179.248 176.870 -0.046 0.000 1.078 759 L CA 0.950 55.684 54.840 -0.177 0.000 0.749 759 L CB -0.494 41.345 42.059 -0.366 0.000 0.901 759 L HN 0.327 nan 8.230 nan 0.000 0.433 760 N N 0.188 118.869 118.700 -0.032 0.000 2.244 760 N HA -0.222 4.517 4.740 -0.002 0.000 0.183 760 N C 1.810 177.354 175.510 0.057 0.000 1.016 760 N CA 1.248 54.309 53.050 0.018 0.000 0.866 760 N CB 0.211 38.706 38.487 0.012 0.000 0.980 760 N HN 0.245 nan 8.380 nan 0.000 0.430 761 E N 0.184 120.411 120.200 0.044 0.000 2.072 761 E HA -0.023 4.326 4.350 -0.002 0.000 0.191 761 E C 1.831 178.475 176.600 0.074 0.000 0.985 761 E CA 1.477 57.908 56.400 0.051 0.000 0.801 761 E CB -0.909 28.809 29.700 0.030 0.000 0.750 761 E HN 0.391 nan 8.360 nan 0.000 0.452 762 G N 0.929 109.787 108.800 0.097 0.000 2.446 762 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.217 762 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.217 762 G C 1.740 176.729 174.900 0.147 0.000 1.168 762 G CA 1.007 46.181 45.100 0.123 0.000 0.771 762 G HN 0.340 nan 8.290 nan 0.000 0.551 763 I N 1.049 121.736 120.570 0.196 0.000 2.264 763 I HA -0.197 3.972 4.170 -0.002 0.000 0.248 763 I C 2.480 178.694 176.117 0.162 0.000 1.111 763 I CA 0.882 62.297 61.300 0.192 0.000 1.382 763 I CB -0.206 37.893 38.000 0.165 0.000 1.060 763 I HN 0.109 nan 8.210 nan 0.000 0.418 764 N N 0.596 119.379 118.700 0.137 0.000 2.142 764 N HA -0.186 4.552 4.740 -0.002 0.000 0.186 764 N C 1.832 177.405 175.510 0.105 0.000 1.023 764 N CA 1.196 54.323 53.050 0.128 0.000 0.852 764 N CB -0.294 38.254 38.487 0.103 0.000 0.998 764 N HN 0.485 nan 8.380 nan 0.000 0.424 765 Q N 0.350 120.202 119.800 0.087 0.000 2.124 765 Q HA 0.016 4.355 4.340 -0.002 0.000 0.202 765 Q C 2.050 178.094 176.000 0.073 0.000 0.977 765 Q CA 1.406 57.248 55.803 0.065 0.000 0.850 765 Q CB -0.080 28.685 28.738 0.045 0.000 0.901 765 Q HN 0.386 nan 8.270 nan 0.000 0.429 766 A N 1.036 123.917 122.820 0.101 0.000 1.855 766 A HA -0.166 4.153 4.320 -0.002 0.000 0.215 766 A C 1.987 179.645 177.584 0.123 0.000 1.191 766 A CA 1.005 53.116 52.037 0.124 0.000 0.613 766 A CB -0.513 18.601 19.000 0.190 0.000 0.829 766 A HN 0.243 nan 8.150 nan 0.000 0.442 767 I N 0.755 121.415 120.570 0.149 0.000 2.194 767 I HA -0.253 3.916 4.170 -0.002 0.000 0.246 767 I C 1.836 178.017 176.117 0.107 0.000 1.093 767 I CA 1.926 63.317 61.300 0.152 0.000 1.355 767 I CB -1.571 36.549 38.000 0.199 0.000 1.046 767 I HN 0.297 nan 8.210 nan 0.000 0.413 768 D N 0.772 121.227 120.400 0.092 0.000 2.123 768 D HA -0.156 4.483 4.640 -0.002 0.000 0.196 768 D C 2.000 178.337 176.300 0.063 0.000 0.992 768 D CA 0.973 55.016 54.000 0.072 0.000 0.833 768 D CB -0.235 40.602 40.800 0.062 0.000 0.954 768 D HN 0.315 nan 8.370 nan 0.000 0.455 769 N N 0.193 118.923 118.700 0.051 0.000 2.135 769 N HA -0.040 4.699 4.740 -0.002 0.000 0.186 769 N C 2.068 177.607 175.510 0.049 0.000 1.027 769 N CA 0.434 53.501 53.050 0.028 0.000 0.849 769 N CB -0.174 38.303 38.487 -0.018 0.000 1.002 769 N HN 0.238 nan 8.380 nan 0.000 0.425 770 I N 1.258 121.858 120.570 0.049 0.000 2.335 770 I HA -0.260 3.909 4.170 -0.002 0.000 0.251 770 I C 1.871 178.060 176.117 0.120 0.000 1.129 770 I CA 0.912 62.260 61.300 0.079 0.000 1.402 770 I CB -0.198 37.846 38.000 0.073 0.000 1.069 770 I HN 0.119 nan 8.210 nan 0.000 0.424 771 N N 0.760 119.515 118.700 0.092 0.000 2.135 771 N HA -0.131 4.608 4.740 -0.002 0.000 0.186 771 N C 1.610 177.164 175.510 0.073 0.000 1.027 771 N CA 1.137 54.234 53.050 0.077 0.000 0.849 771 N CB -0.034 38.497 38.487 0.074 0.000 1.002 771 N HN 0.212 nan 8.380 nan 0.000 0.425 772 N N -0.115 118.636 118.700 0.086 0.000 2.166 772 N HA -0.160 4.579 4.740 -0.002 0.000 0.186 772 N C 1.476 177.042 175.510 0.093 0.000 1.019 772 N CA 0.609 53.710 53.050 0.084 0.000 0.856 772 N CB -0.421 38.114 38.487 0.079 0.000 0.993 772 N HN 0.249 nan 8.380 nan 0.000 0.426 773 F N 2.425 122.344 119.950 -0.051 0.000 2.051 773 F HA -0.116 4.410 4.527 -0.002 0.000 0.296 773 F C 2.121 177.854 175.800 -0.113 0.000 1.122 773 F CA 1.092 59.037 58.000 -0.092 0.000 1.201 773 F CB -0.371 38.542 39.000 -0.145 0.000 0.978 773 F HN -0.146 nan 8.300 nan 0.000 0.472 774 I N 0.852 121.271 120.570 -0.252 0.000 2.286 774 I HA -0.285 3.883 4.170 -0.002 0.000 0.248 774 I C 2.045 177.918 176.117 -0.408 0.000 1.115 774 I CA 1.156 62.184 61.300 -0.453 0.000 1.392 774 I CB -1.685 36.206 38.000 -0.181 0.000 1.065 774 I HN 0.247 nan 8.210 nan 0.000 0.418 775 N N 1.318 119.933 118.700 -0.143 0.000 2.120 775 N HA -0.116 4.623 4.740 -0.002 0.000 0.188 775 N C 2.030 177.532 175.510 -0.014 0.000 1.024 775 N CA 1.548 54.585 53.050 -0.021 0.000 0.852 775 N CB -0.680 37.853 38.487 0.078 0.000 1.003 775 N HN 0.407 nan 8.380 nan 0.000 0.424 776 G N 0.708 109.486 108.800 -0.037 0.000 2.469 776 G HA2 -0.269 3.689 3.960 -0.002 0.000 0.219 776 G HA3 -0.269 3.689 3.960 -0.002 0.000 0.219 776 G C 1.921 176.830 174.900 0.015 0.000 1.150 776 G CA 1.133 46.268 45.100 0.059 0.000 0.763 776 G HN 0.361 nan 8.290 nan 0.000 0.561 777 C N 0.054 119.198 119.300 -0.261 0.000 2.436 777 C HA -0.028 4.430 4.460 -0.002 0.000 0.277 777 C C 3.315 178.246 174.990 -0.099 0.000 1.241 777 C CA 1.293 60.156 59.018 -0.259 0.000 1.721 777 C CB -0.986 26.349 27.740 -0.675 0.000 2.043 777 C HN 0.491 nan 8.230 nan 0.000 0.472 778 S N 0.502 116.029 115.700 -0.289 0.000 2.372 778 S HA -0.180 4.289 4.470 -0.002 0.000 0.227 778 S C 1.811 176.702 174.600 0.484 0.000 1.044 778 S CA 2.250 60.685 58.200 0.391 0.000 1.050 778 S CB -0.299 63.172 63.200 0.451 0.000 0.901 778 S HN 0.405 nan 8.310 nan 0.000 0.447 779 V N 0.918 120.959 119.914 0.211 0.000 2.427 779 V HA -0.090 4.029 4.120 -0.002 0.000 0.248 779 V C 2.691 178.561 176.094 -0.374 0.000 1.051 779 V CA 1.997 64.216 62.300 -0.135 0.000 1.048 779 V CB -1.065 30.627 31.823 -0.218 0.000 0.666 779 V HN 0.605 nan 8.190 nan 0.000 0.456 780 S N -1.151 114.487 115.700 -0.104 0.000 2.368 780 S HA -0.249 4.220 4.470 -0.002 0.000 0.225 780 S C 1.973 176.562 174.600 -0.019 0.000 1.030 780 S CA 1.711 59.923 58.200 0.020 0.000 0.999 780 S CB -0.410 62.919 63.200 0.215 0.000 0.844 780 S HN 0.687 nan 8.310 nan 0.000 0.459 781 Y N 1.192 121.499 120.300 0.012 0.000 2.373 781 Y HA 0.021 4.570 4.550 -0.002 0.000 0.293 781 Y C 1.884 177.731 175.900 -0.088 0.000 1.129 781 Y CA 1.195 59.316 58.100 0.036 0.000 1.226 781 Y CB -0.189 38.410 38.460 0.232 0.000 1.000 781 Y HN 0.355 nan 8.280 nan 0.000 0.549 782 L N -0.237 120.912 121.223 -0.123 0.000 1.988 782 L HA -0.203 4.136 4.340 -0.002 0.000 0.207 782 L C 1.978 178.599 176.870 -0.416 0.000 1.071 782 L CA 1.931 56.478 54.840 -0.488 0.000 0.744 782 L CB -0.798 40.578 42.059 -1.139 0.000 0.893 782 L HN 0.152 nan 8.230 nan 0.000 0.433 783 M N -0.503 118.882 119.600 -0.359 0.000 2.229 783 M HA -0.135 4.344 4.480 -0.002 0.000 0.264 783 M C 1.992 178.220 176.300 -0.119 0.000 1.063 783 M CA 1.618 56.792 55.300 -0.210 0.000 1.114 783 M CB -0.956 31.544 32.600 -0.167 0.000 1.387 783 M HN 0.363 nan 8.290 nan 0.000 0.420 784 K N -0.632 119.630 120.400 -0.231 0.000 2.365 784 K HA 0.085 4.404 4.320 -0.002 0.000 0.195 784 K C 1.354 177.781 176.600 -0.290 0.000 1.079 784 K CA 0.165 56.279 56.287 -0.288 0.000 0.979 784 K CB 0.635 32.811 32.500 -0.540 0.000 0.929 784 K HN 0.057 nan 8.250 nan 0.000 0.523 785 K N -0.047 120.079 120.400 -0.456 0.000 2.374 785 K HA 0.308 4.627 4.320 -0.002 0.000 0.202 785 K C 1.162 177.508 176.600 -0.423 0.000 1.040 785 K CA 0.313 56.267 56.287 -0.556 0.000 1.085 785 K CB 0.792 32.593 32.500 -1.166 0.000 0.873 785 K HN 0.148 nan 8.250 nan 0.000 0.539 786 M N -0.819 118.588 119.600 -0.323 0.000 2.394 786 M HA 0.175 4.654 4.480 -0.002 0.000 0.203 786 M C 1.440 177.610 176.300 -0.217 0.000 1.713 786 M CA 0.040 55.202 55.300 -0.229 0.000 1.063 786 M CB 0.177 32.660 32.600 -0.195 0.000 1.431 786 M HN -0.165 nan 8.290 nan 0.000 0.572 787 I N 1.488 121.892 120.570 -0.278 0.000 2.163 787 I HA -0.168 4.001 4.170 -0.002 0.000 0.243 787 I C -0.589 175.467 176.117 -0.103 0.000 1.085 787 I CA 2.127 63.262 61.300 -0.276 0.000 1.347 787 I CB -2.263 35.516 38.000 -0.369 0.000 1.044 787 I HN 0.106 nan 8.210 nan 0.000 0.408 788 P HA -0.157 nan 4.420 nan 0.000 0.215 788 P C 2.218 179.503 177.300 -0.024 0.000 1.157 788 P CA 1.360 64.466 63.100 0.010 0.000 0.874 788 P CB -0.054 31.684 31.700 0.063 0.000 0.790 789 L N -1.388 119.800 121.223 -0.058 0.000 2.127 789 L HA -0.185 4.154 4.340 -0.002 0.000 0.211 789 L C 2.362 179.182 176.870 -0.083 0.000 1.089 789 L CA 1.686 56.486 54.840 -0.066 0.000 0.757 789 L CB -1.201 40.811 42.059 -0.078 0.000 0.899 789 L HN -0.006 nan 8.230 nan 0.000 0.434 790 A N -0.431 122.330 122.820 -0.097 0.000 1.968 790 A HA -0.064 4.255 4.320 -0.002 0.000 0.217 790 A C 2.295 179.772 177.584 -0.179 0.000 1.169 790 A CA 1.048 53.008 52.037 -0.129 0.000 0.638 790 A CB -0.467 18.475 19.000 -0.098 0.000 0.812 790 A HN 0.199 nan 8.150 nan 0.000 0.446 791 V N 0.128 119.980 119.914 -0.103 0.000 2.453 791 V HA -0.241 3.878 4.120 -0.002 0.000 0.247 791 V C 2.444 178.465 176.094 -0.121 0.000 1.048 791 V CA 2.126 64.353 62.300 -0.122 0.000 1.049 791 V CB -0.655 31.197 31.823 0.049 0.000 0.672 791 V HN 0.808 nan 8.190 nan 0.000 0.457 792 E N 0.476 120.633 120.200 -0.073 0.000 2.038 792 E HA -0.268 4.081 4.350 -0.002 0.000 0.195 792 E C 2.195 178.752 176.600 -0.071 0.000 1.000 792 E CA 1.431 57.801 56.400 -0.049 0.000 0.803 792 E CB -0.026 29.653 29.700 -0.034 0.000 0.750 792 E HN 0.403 nan 8.360 nan 0.000 0.448 793 K N 0.199 120.535 120.400 -0.106 0.000 2.211 793 K HA -0.080 4.239 4.320 -0.002 0.000 0.203 793 K C 2.250 178.770 176.600 -0.134 0.000 1.050 793 K CA 0.716 56.942 56.287 -0.101 0.000 0.945 793 K CB -0.127 32.303 32.500 -0.115 0.000 0.732 793 K HN 0.329 nan 8.250 nan 0.000 0.451 794 L N 0.355 121.400 121.223 -0.297 0.000 2.131 794 L HA -0.047 4.292 4.340 -0.002 0.000 0.206 794 L C 2.286 179.072 176.870 -0.140 0.000 1.087 794 L CA 0.599 55.152 54.840 -0.478 0.000 0.767 794 L CB -0.321 40.914 42.059 -1.372 0.000 0.917 794 L HN 0.043 nan 8.230 nan 0.000 0.441 795 L N -0.473 120.711 121.223 -0.066 0.000 2.291 795 L HA -0.159 4.179 4.340 -0.002 0.000 0.214 795 L C 2.257 179.155 176.870 0.047 0.000 1.120 795 L CA 0.819 55.711 54.840 0.086 0.000 0.799 795 L CB -0.386 41.723 42.059 0.084 0.000 0.925 795 L HN 0.375 nan 8.230 nan 0.000 0.446 796 D N 0.181 120.591 120.400 0.018 0.000 2.120 796 D HA -0.216 4.422 4.640 -0.002 0.000 0.202 796 D C 2.115 178.426 176.300 0.018 0.000 0.972 796 D CA 0.832 54.840 54.000 0.013 0.000 0.837 796 D CB 0.144 40.950 40.800 0.009 0.000 0.989 796 D HN 0.242 nan 8.370 nan 0.000 0.469 797 F N 1.912 121.811 119.950 -0.085 0.000 2.161 797 F HA -0.172 4.354 4.527 -0.002 0.000 0.300 797 F C 1.695 177.448 175.800 -0.079 0.000 1.089 797 F CA 1.623 59.565 58.000 -0.097 0.000 1.282 797 F CB -0.419 38.500 39.000 -0.135 0.000 1.010 797 F HN -0.137 nan 8.300 nan 0.000 0.485 798 D N 0.252 120.591 120.400 -0.101 0.000 2.108 798 D HA -0.269 4.370 4.640 -0.002 0.000 0.190 798 D C 2.193 178.353 176.300 -0.232 0.000 0.995 798 D CA 1.840 55.759 54.000 -0.136 0.000 0.834 798 D CB -0.717 40.152 40.800 0.116 0.000 0.967 798 D HN 0.425 nan 8.370 nan 0.000 0.446 799 N N -0.661 117.965 118.700 -0.124 0.000 2.005 799 N HA -0.207 4.532 4.740 -0.002 0.000 0.199 799 N C 1.552 176.963 175.510 -0.165 0.000 1.054 799 N CA 2.221 55.205 53.050 -0.109 0.000 0.864 799 N CB -0.142 38.309 38.487 -0.060 0.000 1.063 799 N HN 0.088 nan 8.380 nan 0.000 0.428 800 T N 1.325 115.771 114.554 -0.178 0.000 2.751 800 T HA -0.192 4.157 4.350 -0.002 0.000 0.268 800 T C 1.699 176.234 174.700 -0.274 0.000 1.045 800 T CA 1.147 63.139 62.100 -0.181 0.000 1.142 800 T CB -0.269 68.512 68.868 -0.144 0.000 0.851 800 T HN 0.258 nan 8.240 nan 0.000 0.474 801 L N 0.512 121.447 121.223 -0.479 0.000 2.341 801 L HA 0.272 4.611 4.340 -0.002 0.000 0.214 801 L C 2.099 178.791 176.870 -0.297 0.000 1.115 801 L CA 1.526 56.036 54.840 -0.550 0.000 0.820 801 L CB -0.347 41.106 42.059 -1.009 0.000 0.944 801 L HN 0.024 nan 8.230 nan 0.000 0.452 802 K N -0.524 119.746 120.400 -0.216 0.000 2.167 802 K HA -0.090 4.229 4.320 -0.002 0.000 0.203 802 K C 1.852 178.405 176.600 -0.078 0.000 1.052 802 K CA 1.057 57.272 56.287 -0.121 0.000 0.956 802 K CB 0.114 32.560 32.500 -0.091 0.000 0.735 802 K HN 0.303 nan 8.250 nan 0.000 0.451 803 K N 0.285 120.637 120.400 -0.081 0.000 2.305 803 K HA -0.042 4.277 4.320 -0.002 0.000 0.199 803 K C 1.805 178.391 176.600 -0.024 0.000 1.047 803 K CA 0.499 56.762 56.287 -0.041 0.000 0.976 803 K CB -0.055 32.422 32.500 -0.039 0.000 0.765 803 K HN 0.154 nan 8.250 nan 0.000 0.474 804 N N 1.545 120.211 118.700 -0.056 0.000 2.084 804 N HA -0.099 4.640 4.740 -0.002 0.000 0.190 804 N C 0.991 176.513 175.510 0.020 0.000 1.030 804 N CA 0.978 54.013 53.050 -0.025 0.000 0.849 804 N CB 0.031 38.467 38.487 -0.084 0.000 1.012 804 N HN 0.043 nan 8.380 nan 0.000 0.423 805 L N 0.313 121.530 121.223 -0.010 0.000 2.777 805 L HA 0.086 4.425 4.340 -0.002 0.000 0.195 805 L C 1.997 178.912 176.870 0.074 0.000 1.190 805 L CA -0.536 54.333 54.840 0.047 0.000 0.933 805 L CB -0.105 41.956 42.059 0.002 0.000 1.758 805 L HN 0.173 nan 8.230 nan 0.000 0.515 806 L N -1.117 120.155 121.223 0.082 0.000 3.437 806 L HA -0.480 3.858 4.340 -0.002 0.000 0.069 806 L C 2.005 178.915 176.870 0.066 0.000 4.438 806 L CA 1.732 56.607 54.840 0.057 0.000 0.479 806 L CB -1.300 40.772 42.059 0.023 0.000 3.549 806 L HN 0.924 nan 8.230 nan 0.000 0.729 807 N N -0.393 118.346 118.700 0.064 0.000 2.272 807 N HA -0.220 4.519 4.740 -0.002 0.000 0.185 807 N C 1.580 177.139 175.510 0.082 0.000 1.014 807 N CA 2.307 55.391 53.050 0.056 0.000 0.870 807 N CB -0.084 38.434 38.487 0.052 0.000 0.975 807 N HN 0.654 nan 8.380 nan 0.000 0.433 808 Y N 0.839 121.143 120.300 0.007 0.000 2.420 808 Y HA 0.205 4.754 4.550 -0.002 0.000 0.292 808 Y C 2.090 177.998 175.900 0.014 0.000 1.119 808 Y CA 0.644 58.753 58.100 0.016 0.000 1.229 808 Y CB -0.023 38.453 38.460 0.026 0.000 1.026 808 Y HN -0.006 nan 8.280 nan 0.000 0.554 809 I N 0.137 120.761 120.570 0.089 0.000 3.111 809 I HA -0.145 4.024 4.170 -0.002 0.000 0.272 809 I C 1.594 177.677 176.117 -0.057 0.000 1.268 809 I CA 1.423 62.733 61.300 0.016 0.000 1.467 809 I CB -0.224 37.814 38.000 0.064 0.000 1.087 809 I HN 0.246 nan 8.210 nan 0.000 0.467 810 D N 1.394 121.763 120.400 -0.052 0.000 2.149 810 D HA -0.138 4.501 4.640 -0.002 0.000 0.206 810 D C 1.352 177.594 176.300 -0.097 0.000 0.967 810 D CA 0.872 54.840 54.000 -0.054 0.000 0.848 810 D CB 0.124 40.910 40.800 -0.024 0.000 0.998 810 D HN 0.184 nan 8.370 nan 0.000 0.474 811 E N 0.057 120.170 120.200 -0.145 0.000 2.705 811 E HA 0.274 4.623 4.350 -0.002 0.000 0.272 811 E C -0.278 176.157 176.600 -0.275 0.000 1.528 811 E CA -0.015 56.277 56.400 -0.179 0.000 1.750 811 E CB -0.721 28.880 29.700 -0.164 0.000 1.439 811 E HN 0.420 nan 8.360 nan 0.000 0.449 812 N N -0.305 118.266 118.700 -0.215 0.000 3.545 812 N HA 0.626 5.365 4.740 -0.002 0.000 0.227 812 N C -0.729 174.711 175.510 -0.115 0.000 1.380 812 N CA -0.274 52.655 53.050 -0.201 0.000 0.892 812 N CB 1.370 39.660 38.487 -0.329 0.000 1.441 812 N HN 0.163 nan 8.380 nan 0.000 0.497 818 G N 0.367 109.165 108.800 -0.002 0.000 2.396 818 G HA2 0.244 4.203 3.960 -0.002 0.000 0.214 818 G HA3 0.244 4.203 3.960 -0.002 0.000 0.214 818 G C 1.852 176.754 174.900 0.003 0.000 1.166 818 G CA 1.680 46.780 45.100 -0.000 0.000 0.793 818 G HN 1.834 nan 8.290 nan 0.000 0.533 819 S N 1.620 117.323 115.700 0.006 0.000 2.387 819 S HA 0.080 4.549 4.470 -0.002 0.000 0.230 819 S C 2.515 177.122 174.600 0.012 0.000 1.035 819 S CA 2.154 60.361 58.200 0.011 0.000 1.014 819 S CB -0.611 62.599 63.200 0.016 0.000 0.836 819 S HN 0.911 nan 8.310 nan 0.000 0.466 820 A N 0.237 123.062 122.820 0.008 0.000 2.117 820 A HA -0.036 4.283 4.320 -0.002 0.000 0.224 820 A C 2.146 179.736 177.584 0.009 0.000 1.167 820 A CA 2.807 54.848 52.037 0.007 0.000 0.664 820 A CB -1.181 17.816 19.000 -0.006 0.000 0.811 820 A HN 0.913 nan 8.150 nan 0.000 0.470 821 E N -2.806 117.398 120.200 0.007 0.000 2.132 821 E HA 0.134 4.483 4.350 -0.002 0.000 0.193 821 E C 2.184 178.789 176.600 0.008 0.000 0.951 821 E CA 1.022 57.426 56.400 0.006 0.000 0.843 821 E CB -1.085 28.617 29.700 0.002 0.000 0.807 821 E HN 1.346 nan 8.360 nan 0.000 0.467 822 Y N 0.245 120.550 120.300 0.009 0.000 2.578 822 Y HA 0.354 4.902 4.550 -0.002 0.000 0.297 822 Y C 1.773 177.682 175.900 0.015 0.000 1.176 822 Y CA 1.255 59.361 58.100 0.010 0.000 1.315 822 Y CB 0.242 38.707 38.460 0.009 0.000 1.031 822 Y HN 0.285 nan 8.280 nan 0.000 0.524 823 E N -0.635 119.577 120.200 0.020 0.000 2.624 823 E HA 0.126 4.475 4.350 -0.002 0.000 0.210 823 E C 1.004 177.624 176.600 0.034 0.000 0.997 823 E CA -0.018 56.400 56.400 0.029 0.000 0.999 823 E CB 0.625 30.348 29.700 0.037 0.000 1.040 823 E HN 0.786 nan 8.360 nan 0.000 0.469 824 K N -0.353 120.061 120.400 0.024 0.000 2.424 824 K HA 0.025 4.343 4.320 -0.002 0.000 0.198 824 K C 1.868 178.476 176.600 0.014 0.000 1.190 824 K CA 0.836 57.137 56.287 0.023 0.000 0.935 824 K CB 0.365 32.875 32.500 0.018 0.000 1.087 824 K HN 0.017 nan 8.250 nan 0.000 0.524 825 S N 0.664 116.370 115.700 0.010 0.000 2.402 825 S HA -0.120 4.349 4.470 -0.002 0.000 0.229 825 S C 1.898 176.500 174.600 0.004 0.000 1.021 825 S CA 1.047 59.250 58.200 0.005 0.000 0.974 825 S CB -0.085 63.117 63.200 0.004 0.000 0.800 825 S HN 0.126 nan 8.310 nan 0.000 0.484 826 K N 1.436 121.842 120.400 0.010 0.000 2.147 826 K HA 0.107 4.425 4.320 -0.002 0.000 0.205 826 K C 1.507 178.111 176.600 0.006 0.000 1.049 826 K CA 1.179 57.472 56.287 0.010 0.000 0.936 826 K CB -0.652 31.859 32.500 0.019 0.000 0.722 826 K HN 0.337 nan 8.250 nan 0.000 0.446 827 V N 1.587 121.506 119.914 0.009 0.000 3.573 827 V HA -0.023 4.096 4.120 -0.002 0.000 0.270 827 V C 1.193 177.280 176.094 -0.011 0.000 1.221 827 V CA 0.791 63.092 62.300 0.001 0.000 1.163 827 V CB -0.530 31.299 31.823 0.010 0.000 0.847 827 V HN 0.336 nan 8.190 nan 0.000 0.468 828 N N 1.261 119.956 118.700 -0.009 0.000 2.622 828 N HA 0.002 4.741 4.740 -0.002 0.000 0.213 828 N C 1.856 177.355 175.510 -0.018 0.000 1.037 828 N CA 0.906 53.947 53.050 -0.014 0.000 0.999 828 N CB -0.118 38.363 38.487 -0.010 0.000 1.342 828 N HN 0.526 nan 8.380 nan 0.000 0.465 829 K N 0.493 120.884 120.400 -0.014 0.000 2.286 829 K HA -0.186 4.133 4.320 -0.002 0.000 0.203 829 K C 2.394 178.979 176.600 -0.026 0.000 1.045 829 K CA 1.771 58.048 56.287 -0.017 0.000 0.935 829 K CB -0.904 31.589 32.500 -0.012 0.000 0.737 829 K HN 0.349 nan 8.250 nan 0.000 0.460 830 Y N 2.087 122.371 120.300 -0.026 0.000 2.163 830 Y HA 0.147 4.696 4.550 -0.002 0.000 0.288 830 Y C 2.294 178.161 175.900 -0.055 0.000 1.112 830 Y CA 0.961 59.038 58.100 -0.038 0.000 1.104 830 Y CB -0.710 37.735 38.460 -0.025 0.000 1.016 830 Y HN -0.014 nan 8.280 nan 0.000 0.497 831 L N 0.526 121.723 121.223 -0.043 0.000 2.447 831 L HA -0.128 4.211 4.340 -0.002 0.000 0.225 831 L C 1.873 178.723 176.870 -0.034 0.000 1.148 831 L CA 1.899 56.716 54.840 -0.038 0.000 0.808 831 L CB -0.405 41.633 42.059 -0.034 0.000 0.928 831 L HN 0.380 nan 8.230 nan 0.000 0.448 832 K N 0.550 120.927 120.400 -0.039 0.000 2.504 832 K HA 0.052 4.371 4.320 -0.002 0.000 0.199 832 K C -0.358 176.212 176.600 -0.049 0.000 1.028 832 K CA 0.270 56.537 56.287 -0.033 0.000 1.164 832 K CB -0.061 32.422 32.500 -0.028 0.000 0.877 832 K HN -0.026 nan 8.250 nan 0.000 0.508 833 T N 1.766 116.269 114.554 -0.085 0.000 3.008 833 T HA 0.314 4.663 4.350 -0.002 0.000 0.328 833 T C -0.177 174.371 174.700 -0.254 0.000 1.020 833 T CA -0.770 61.256 62.100 -0.123 0.000 1.043 833 T CB 0.323 69.124 68.868 -0.110 0.000 1.010 833 T HN 0.278 nan 8.240 nan 0.000 0.466 834 I N 0.583 121.002 120.570 -0.253 0.000 2.532 834 I HA 0.567 4.736 4.170 -0.002 0.000 0.292 834 I C 0.295 176.077 176.117 -0.559 0.000 1.014 834 I CA -0.967 59.988 61.300 -0.574 0.000 1.340 834 I CB 0.992 38.952 38.000 -0.066 0.000 1.422 834 I HN 0.571 nan 8.210 nan 0.000 0.528 835 M N 6.959 125.952 119.600 -1.012 0.000 2.184 835 M HA 0.380 4.859 4.480 -0.002 0.000 0.351 835 M C -2.366 174.115 176.300 0.301 0.000 1.395 835 M CA -1.470 53.684 55.300 -0.243 0.000 1.117 835 M CB 0.449 32.968 32.600 -0.134 0.000 1.708 835 M HN 0.438 nan 8.290 nan 0.000 0.468 836 P HA 0.059 nan 4.420 nan 0.000 0.271 836 P C -1.151 176.386 177.300 0.396 0.000 1.220 836 P CA -0.178 63.106 63.100 0.307 0.000 0.768 836 P CB 0.186 31.987 31.700 0.167 0.000 0.848 837 F N 3.751 123.791 119.950 0.149 0.000 2.495 837 F HA 0.294 4.819 4.527 -0.002 0.000 0.365 837 F C 0.090 175.919 175.800 0.047 0.000 1.090 837 F CA -0.046 57.845 58.000 -0.182 0.000 1.235 837 F CB 0.269 38.878 39.000 -0.652 0.000 1.119 837 F HN 0.179 nan 8.300 nan 0.000 0.562 838 D N 6.436 126.384 120.400 -0.753 0.000 2.575 838 D HA 0.093 4.732 4.640 -0.002 0.000 0.250 838 D C 0.513 176.251 176.300 -0.936 0.000 1.279 838 D CA -0.439 53.200 54.000 -0.600 0.000 0.925 838 D CB 1.473 42.166 40.800 -0.178 0.000 1.261 838 D HN 0.662 nan 8.370 nan 0.000 0.567 839 L N 4.043 124.413 121.223 -1.420 0.000 2.127 839 L HA -0.160 4.179 4.340 -0.002 0.000 0.211 839 L C 2.148 178.822 176.870 -0.326 0.000 1.089 839 L CA 2.388 56.649 54.840 -0.964 0.000 0.757 839 L CB -0.543 40.707 42.059 -1.349 0.000 0.899 839 L HN 0.513 nan 8.230 nan 0.000 0.434 840 S N -1.159 114.388 115.700 -0.255 0.000 2.469 840 S HA -0.150 4.319 4.470 -0.002 0.000 0.238 840 S C 1.914 176.425 174.600 -0.149 0.000 0.998 840 S CA 1.071 59.200 58.200 -0.117 0.000 0.957 840 S CB -0.769 62.395 63.200 -0.061 0.000 0.764 840 S HN 0.423 nan 8.310 nan 0.000 0.514 841 I N 0.239 120.660 120.570 -0.247 0.000 2.439 841 I HA -0.024 4.145 4.170 -0.002 0.000 0.251 841 I C 1.304 177.077 176.117 -0.572 0.000 1.139 841 I CA 1.126 62.159 61.300 -0.444 0.000 1.438 841 I CB -1.237 36.375 38.000 -0.646 0.000 1.085 841 I HN 0.348 nan 8.210 nan 0.000 0.427 842 Y N -0.070 120.224 120.300 -0.010 0.000 2.507 842 Y HA 0.263 4.812 4.550 -0.002 0.000 0.254 842 Y C 1.004 176.929 175.900 0.042 0.000 1.171 842 Y CA -0.129 58.000 58.100 0.048 0.000 1.238 842 Y CB 0.411 38.940 38.460 0.115 0.000 1.148 842 Y HN 0.004 nan 8.280 nan 0.000 0.525 843 T N -0.240 114.368 114.554 0.091 0.000 2.775 843 T HA 0.273 4.622 4.350 -0.002 0.000 0.320 843 T C -0.770 173.949 174.700 0.032 0.000 1.597 843 T CA -0.558 61.591 62.100 0.082 0.000 1.022 843 T CB 0.677 69.624 68.868 0.131 0.000 1.485 843 T HN 0.262 nan 8.240 nan 0.000 0.494 844 N N 0.365 119.087 118.700 0.038 0.000 2.118 844 N HA 0.193 4.931 4.740 -0.002 0.000 0.226 844 N C -0.331 175.206 175.510 0.045 0.000 1.305 844 N CA -0.508 52.557 53.050 0.024 0.000 0.890 844 N CB 0.365 38.855 38.487 0.004 0.000 1.118 844 N HN 0.577 nan 8.380 nan 0.000 0.511 845 D N 0.787 121.227 120.400 0.066 0.000 2.487 845 D HA -0.020 4.619 4.640 -0.002 0.000 0.243 845 D C 0.317 176.663 176.300 0.077 0.000 1.154 845 D CA 0.619 54.664 54.000 0.075 0.000 0.876 845 D CB 1.136 41.991 40.800 0.092 0.000 1.161 845 D HN 0.143 nan 8.370 nan 0.000 0.478 846 T N 4.819 119.414 114.554 0.069 0.000 2.777 846 T HA -0.110 4.239 4.350 -0.002 0.000 0.266 846 T C 1.962 176.715 174.700 0.089 0.000 1.040 846 T CA 0.282 62.425 62.100 0.071 0.000 1.141 846 T CB 0.160 69.063 68.868 0.059 0.000 0.868 846 T HN 0.473 nan 8.240 nan 0.000 0.444 847 I N 1.406 122.030 120.570 0.091 0.000 2.127 847 I HA -0.121 4.048 4.170 -0.002 0.000 0.241 847 I C 2.368 178.567 176.117 0.138 0.000 1.075 847 I CA 1.392 62.755 61.300 0.104 0.000 1.334 847 I CB -1.423 36.634 38.000 0.094 0.000 1.040 847 I HN 0.276 nan 8.210 nan 0.000 0.405 848 L N -0.028 121.284 121.223 0.148 0.000 1.994 848 L HA -0.219 4.120 4.340 -0.002 0.000 0.208 848 L C 2.593 179.597 176.870 0.223 0.000 1.071 848 L CA 1.046 56.012 54.840 0.210 0.000 0.745 848 L CB -0.620 41.562 42.059 0.205 0.000 0.892 848 L HN 0.130 nan 8.230 nan 0.000 0.431 849 I N 0.301 120.971 120.570 0.167 0.000 2.194 849 I HA -0.292 3.876 4.170 -0.002 0.000 0.246 849 I C 2.495 178.735 176.117 0.204 0.000 1.093 849 I CA 1.708 63.111 61.300 0.173 0.000 1.355 849 I CB -1.112 36.955 38.000 0.112 0.000 1.046 849 I HN 0.404 nan 8.210 nan 0.000 0.413 850 E N 0.060 120.356 120.200 0.160 0.000 2.150 850 E HA -0.190 4.159 4.350 -0.002 0.000 0.193 850 E C 2.325 179.025 176.600 0.167 0.000 0.985 850 E CA 1.011 57.495 56.400 0.140 0.000 0.814 850 E CB -0.121 29.644 29.700 0.108 0.000 0.752 850 E HN 0.462 nan 8.360 nan 0.000 0.466 851 M N -0.115 119.610 119.600 0.209 0.000 2.086 851 M HA -0.159 4.320 4.480 -0.002 0.000 0.261 851 M C 2.147 178.612 176.300 0.276 0.000 1.067 851 M CA 1.366 56.807 55.300 0.235 0.000 1.116 851 M CB -0.241 32.531 32.600 0.286 0.000 1.348 851 M HN 0.099 nan 8.290 nan 0.000 0.407 852 F N 1.539 121.563 119.950 0.124 0.000 2.146 852 F HA -0.190 4.336 4.527 -0.002 0.000 0.298 852 F C 2.155 178.023 175.800 0.114 0.000 1.096 852 F CA 1.506 59.558 58.000 0.085 0.000 1.275 852 F CB -0.415 38.605 39.000 0.032 0.000 1.008 852 F HN 0.171 nan 8.300 nan 0.000 0.480 853 N N 0.463 119.239 118.700 0.127 0.000 2.188 853 N HA -0.177 4.562 4.740 -0.002 0.000 0.184 853 N C 1.891 177.403 175.510 0.005 0.000 1.018 853 N CA 1.082 54.143 53.050 0.018 0.000 0.858 853 N CB -0.470 38.059 38.487 0.070 0.000 0.989 853 N HN 0.354 nan 8.380 nan 0.000 0.426 854 K N 0.072 120.509 120.400 0.061 0.000 2.057 854 K HA -0.150 4.169 4.320 -0.002 0.000 0.206 854 K C 2.027 178.653 176.600 0.043 0.000 1.050 854 K CA 0.863 57.182 56.287 0.053 0.000 0.935 854 K CB -0.170 32.381 32.500 0.085 0.000 0.715 854 K HN 0.153 nan 8.250 nan 0.000 0.439 855 Y N 1.287 121.543 120.300 -0.074 0.000 2.242 855 Y HA -0.110 4.439 4.550 -0.002 0.000 0.291 855 Y C 1.386 177.192 175.900 -0.156 0.000 1.137 855 Y CA 1.459 59.499 58.100 -0.100 0.000 1.181 855 Y CB 0.122 38.520 38.460 -0.103 0.000 0.989 855 Y HN 0.165 nan 8.280 nan 0.000 0.527 856 N N -0.405 118.265 118.700 -0.050 0.000 2.461 856 N HA -0.053 4.686 4.740 -0.002 0.000 0.188 856 N C 1.320 176.771 175.510 -0.099 0.000 1.134 856 N CA 1.042 54.023 53.050 -0.115 0.000 0.878 856 N CB -0.013 38.334 38.487 -0.234 0.000 0.972 856 N HN 0.456 nan 8.380 nan 0.000 0.456 857 S N -0.850 114.796 115.700 -0.088 0.000 2.524 857 S HA 0.175 4.644 4.470 -0.002 0.000 0.215 857 S C 0.395 174.948 174.600 -0.079 0.000 0.986 857 S CA -0.367 57.793 58.200 -0.068 0.000 0.911 857 S CB 0.239 63.413 63.200 -0.043 0.000 0.805 857 S HN 0.102 nan 8.310 nan 0.000 0.501 858 E N 1.258 121.386 120.200 -0.120 0.000 2.044 858 E HA 0.271 4.620 4.350 -0.002 0.000 0.282 858 E C 0.357 176.891 176.600 -0.109 0.000 1.031 858 E CA -0.382 55.945 56.400 -0.121 0.000 0.824 858 E CB 1.025 30.624 29.700 -0.168 0.000 1.076 858 E HN 0.121 nan 8.360 nan 0.000 0.395 859 I N 4.176 124.712 120.570 -0.058 0.000 2.236 859 I HA -0.338 3.831 4.170 -0.002 0.000 0.249 859 I C 1.651 177.815 176.117 0.078 0.000 1.102 859 I CA 1.575 62.872 61.300 -0.006 0.000 1.365 859 I CB -0.048 37.931 38.000 -0.035 0.000 1.051 859 I HN 0.636 nan 8.210 nan 0.000 0.420 860 L N 0.045 121.289 121.223 0.036 0.000 2.127 860 L HA -0.231 4.108 4.340 -0.002 0.000 0.211 860 L C 1.812 178.651 176.870 -0.053 0.000 1.089 860 L CA 1.182 56.046 54.840 0.040 0.000 0.757 860 L CB -0.976 41.077 42.059 -0.009 0.000 0.899 860 L HN 0.314 nan 8.230 nan 0.000 0.434 861 N N 0.387 118.991 118.700 -0.160 0.000 2.609 861 N HA -0.101 4.637 4.740 -0.002 0.000 0.190 861 N C 0.967 176.444 175.510 -0.055 0.000 1.157 861 N CA 0.542 53.442 53.050 -0.250 0.000 0.918 861 N CB -0.185 37.848 38.487 -0.757 0.000 0.978 861 N HN 0.424 nan 8.380 nan 0.000 0.448 862 N N 0.466 119.176 118.700 0.018 0.000 2.336 862 N HA 0.122 4.861 4.740 -0.002 0.000 0.189 862 N C 0.088 175.606 175.510 0.014 0.000 1.113 862 N CA -0.012 53.091 53.050 0.088 0.000 0.858 862 N CB 0.908 39.495 38.487 0.167 0.000 0.970 862 N HN 0.239 nan 8.380 nan 0.000 0.471 863 I N 2.392 122.886 120.570 -0.126 0.000 2.436 863 I HA 0.047 4.216 4.170 -0.002 0.000 0.289 863 I C 1.646 177.749 176.117 -0.023 0.000 1.083 863 I CA 0.015 61.113 61.300 -0.337 0.000 1.372 863 I CB 0.646 38.383 38.000 -0.438 0.000 1.408 863 I HN 0.037 nan 8.210 nan 0.000 0.516 864 I N 4.758 125.288 120.570 -0.066 0.000 4.018 864 I HA 0.401 4.570 4.170 -0.002 0.000 0.337 864 I C -0.397 175.773 176.117 0.089 0.000 1.327 864 I CA 0.084 61.401 61.300 0.027 0.000 1.100 864 I CB 0.659 38.519 38.000 -0.233 0.000 1.025 864 I HN 0.403 nan 8.210 nan 0.000 0.396 865 L N 1.616 122.864 121.223 0.041 0.000 2.705 865 L HA 0.544 4.882 4.340 -0.002 0.000 0.260 865 L C -1.998 174.917 176.870 0.074 0.000 0.921 865 L CA -0.200 54.715 54.840 0.125 0.000 0.948 865 L CB 1.924 44.125 42.059 0.236 0.000 1.427 865 L HN 0.096 nan 8.230 nan 0.000 0.432 866 N N 4.675 123.443 118.700 0.114 0.000 2.653 866 N HA 0.410 5.149 4.740 -0.002 0.000 0.261 866 N C -1.699 173.920 175.510 0.182 0.000 1.216 866 N CA -0.299 52.816 53.050 0.108 0.000 0.784 866 N CB 1.041 39.536 38.487 0.012 0.000 1.327 866 N HN 0.604 nan 8.380 nan 0.000 0.539 867 L N 3.034 124.435 121.223 0.296 0.000 2.418 867 L HA 0.425 4.764 4.340 -0.002 0.000 0.274 867 L C 0.471 177.520 176.870 0.298 0.000 1.135 867 L CA -0.162 54.841 54.840 0.272 0.000 0.870 867 L CB 0.264 42.504 42.059 0.302 0.000 1.154 867 L HN 0.185 nan 8.230 nan 0.000 0.462 868 R N 2.663 123.295 120.500 0.221 0.000 2.725 868 R HA 0.283 4.622 4.340 -0.002 0.000 0.277 868 R C -1.158 175.276 176.300 0.225 0.000 0.987 868 R CA -1.006 55.249 56.100 0.259 0.000 0.901 868 R CB 1.794 32.217 30.300 0.206 0.000 1.207 868 R HN 0.403 nan 8.270 nan 0.000 0.463 869 Y N 2.119 122.506 120.300 0.145 0.000 2.335 869 Y HA 0.286 4.835 4.550 -0.002 0.000 0.331 869 Y C -0.592 175.353 175.900 0.076 0.000 1.094 869 Y CA 0.365 58.527 58.100 0.103 0.000 1.253 869 Y CB 0.724 39.255 38.460 0.117 0.000 1.203 869 Y HN 0.138 nan 8.280 nan 0.000 0.508 870 K N 5.563 125.692 120.400 -0.452 0.000 2.651 870 K HA 0.160 4.479 4.320 -0.002 0.000 0.259 870 K C -1.497 174.824 176.600 -0.465 0.000 1.017 870 K CA -0.653 55.440 56.287 -0.324 0.000 0.897 870 K CB 1.201 33.632 32.500 -0.116 0.000 1.262 870 K HN 0.848 nan 8.250 nan 0.000 0.460 871 D N 1.605 121.729 120.400 -0.460 0.000 2.828 871 D HA -0.185 4.454 4.640 -0.002 0.000 0.241 871 D C -0.593 175.492 176.300 -0.358 0.000 1.142 871 D CA 0.790 54.615 54.000 -0.290 0.000 0.755 871 D CB -1.261 39.451 40.800 -0.148 0.000 1.014 871 D HN 0.752 nan 8.370 nan 0.000 0.420 872 N N -0.493 117.879 118.700 -0.546 0.000 2.710 872 N HA -0.283 4.455 4.740 -0.002 0.000 0.249 872 N C -0.569 174.821 175.510 -0.200 0.000 1.059 872 N CA 1.644 54.556 53.050 -0.231 0.000 0.720 872 N CB -0.821 37.660 38.487 -0.011 0.000 0.983 872 N HN 0.819 nan 8.380 nan 0.000 0.544 873 N N -0.870 117.622 118.700 -0.347 0.000 2.823 873 N HA 0.475 5.213 4.740 -0.002 0.000 0.251 873 N C -1.611 173.800 175.510 -0.164 0.000 1.392 873 N CA -0.678 52.262 53.050 -0.184 0.000 0.864 873 N CB 1.139 39.530 38.487 -0.160 0.000 1.481 873 N HN -0.047 nan 8.380 nan 0.000 0.508 874 L N 3.349 124.515 121.223 -0.095 0.000 2.296 874 L HA 0.605 4.944 4.340 -0.002 0.000 0.286 874 L C -0.199 176.636 176.870 -0.058 0.000 1.023 874 L CA -0.706 54.107 54.840 -0.045 0.000 0.812 874 L CB 1.161 43.163 42.059 -0.094 0.000 1.223 874 L HN 0.491 nan 8.230 nan 0.000 0.421 875 I N -1.284 119.275 120.570 -0.017 0.000 2.934 875 I HA 0.543 4.712 4.170 -0.002 0.000 0.306 875 I C -1.029 175.106 176.117 0.029 0.000 1.110 875 I CA -0.965 60.327 61.300 -0.014 0.000 1.019 875 I CB 2.305 40.285 38.000 -0.034 0.000 1.227 875 I HN 0.391 nan 8.210 nan 0.000 0.434 876 D N 3.342 123.762 120.400 0.034 0.000 2.295 876 D HA 0.344 4.982 4.640 -0.002 0.000 0.248 876 D C 0.091 176.409 176.300 0.030 0.000 1.154 876 D CA -0.188 53.850 54.000 0.064 0.000 0.857 876 D CB 1.229 42.080 40.800 0.084 0.000 1.117 876 D HN 0.654 nan 8.370 nan 0.000 0.468 877 L N 2.993 124.232 121.223 0.028 0.000 2.693 877 L HA 0.047 4.386 4.340 -0.002 0.000 0.235 877 L C 2.146 178.988 176.870 -0.046 0.000 1.127 877 L CA 0.063 54.892 54.840 -0.019 0.000 0.914 877 L CB -0.130 41.921 42.059 -0.013 0.000 1.193 877 L HN 0.486 nan 8.230 nan 0.000 0.502 878 S N 0.047 115.741 115.700 -0.009 0.000 2.402 878 S HA -0.147 4.322 4.470 -0.002 0.000 0.233 878 S C 1.725 176.247 174.600 -0.129 0.000 1.030 878 S CA 1.422 59.611 58.200 -0.018 0.000 1.003 878 S CB -0.176 63.094 63.200 0.116 0.000 0.813 878 S HN 0.567 nan 8.310 nan 0.000 0.477 879 G N -0.445 108.271 108.800 -0.140 0.000 2.218 879 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.216 879 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.216 879 G C 0.434 175.155 174.900 -0.298 0.000 0.994 879 G CA 0.154 45.095 45.100 -0.266 0.000 0.637 879 G HN 0.581 nan 8.290 nan 0.000 0.505 880 Y N 1.247 121.527 120.300 -0.034 0.000 2.471 880 Y HA 0.383 4.932 4.550 -0.002 0.000 0.286 880 Y C 2.077 177.968 175.900 -0.016 0.000 1.188 880 Y CA 0.705 58.791 58.100 -0.024 0.000 1.286 880 Y CB 0.424 38.886 38.460 0.004 0.000 1.072 880 Y HN 0.878 nan 8.280 nan 0.000 0.517 881 G N 0.986 109.835 108.800 0.081 0.000 2.305 881 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.287 881 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.287 881 G C 0.335 175.277 174.900 0.071 0.000 1.036 881 G CA -0.001 45.129 45.100 0.049 0.000 0.887 881 G HN 0.640 nan 8.290 nan 0.000 0.505 882 A N -0.358 122.522 122.820 0.101 0.000 2.498 882 A HA 0.508 4.827 4.320 -0.002 0.000 0.239 882 A C 0.833 178.457 177.584 0.067 0.000 1.068 882 A CA 0.504 52.603 52.037 0.102 0.000 0.766 882 A CB 0.367 19.451 19.000 0.140 0.000 1.003 882 A HN 0.508 nan 8.150 nan 0.000 0.497 883 K N 1.171 121.607 120.400 0.059 0.000 2.297 883 K HA 0.427 4.746 4.320 -0.002 0.000 0.286 883 K C -1.142 175.474 176.600 0.027 0.000 1.053 883 K CA -0.186 56.120 56.287 0.030 0.000 0.940 883 K CB 1.135 33.651 32.500 0.026 0.000 1.019 883 K HN 0.409 nan 8.250 nan 0.000 0.475 884 V N 3.669 123.577 119.914 -0.009 0.000 2.326 884 V HA 0.157 4.276 4.120 -0.002 0.000 0.281 884 V C -0.255 175.777 176.094 -0.104 0.000 1.015 884 V CA -0.827 61.449 62.300 -0.040 0.000 0.823 884 V CB 1.289 33.082 31.823 -0.050 0.000 1.009 884 V HN 0.639 nan 8.190 nan 0.000 0.436 885 E N 3.577 123.700 120.200 -0.128 0.000 2.055 885 E HA 0.387 4.736 4.350 -0.002 0.000 0.274 885 E C -0.976 175.375 176.600 -0.416 0.000 0.949 885 E CA -0.235 55.996 56.400 -0.282 0.000 0.775 885 E CB 1.931 31.482 29.700 -0.248 0.000 1.097 885 E HN 0.461 nan 8.360 nan 0.000 0.404 886 V N 5.984 125.641 119.914 -0.427 0.000 2.328 886 V HA 0.225 4.344 4.120 -0.002 0.000 0.278 886 V C -0.236 175.614 176.094 -0.405 0.000 1.021 886 V CA -0.716 61.373 62.300 -0.353 0.000 0.838 886 V CB -0.095 31.588 31.823 -0.234 0.000 0.999 886 V HN 0.488 nan 8.190 nan 0.000 0.447 887 Y N 1.869 122.129 120.300 -0.066 0.000 2.314 887 Y HA 0.090 4.639 4.550 -0.002 0.000 0.334 887 Y C 1.580 177.456 175.900 -0.041 0.000 1.266 887 Y CA -0.054 58.019 58.100 -0.045 0.000 1.391 887 Y CB 0.406 38.844 38.460 -0.037 0.000 1.306 887 Y HN 0.589 nan 8.280 nan 0.000 0.558 888 D N 1.210 121.689 120.400 0.132 0.000 2.190 888 D HA -0.154 4.484 4.640 -0.002 0.000 0.200 888 D C 2.087 178.414 176.300 0.045 0.000 0.992 888 D CA 1.819 55.857 54.000 0.063 0.000 0.854 888 D CB -0.241 40.594 40.800 0.058 0.000 0.936 888 D HN 0.844 nan 8.370 nan 0.000 0.462 889 G N -0.668 108.166 108.800 0.057 0.000 2.776 889 G HA2 0.008 3.967 3.960 -0.002 0.000 0.209 889 G HA3 0.008 3.967 3.960 -0.002 0.000 0.209 889 G C 0.307 175.210 174.900 0.004 0.000 1.145 889 G CA 0.051 45.164 45.100 0.022 0.000 0.791 889 G HN 0.126 nan 8.290 nan 0.000 0.530 890 V N 0.252 120.172 119.914 0.010 0.000 2.439 890 V HA 0.328 4.447 4.120 -0.002 0.000 0.282 890 V C -0.114 175.979 176.094 -0.002 0.000 1.039 890 V CA -1.036 61.257 62.300 -0.012 0.000 0.913 890 V CB 1.877 33.675 31.823 -0.042 0.000 0.983 890 V HN 0.294 nan 8.190 nan 0.000 0.460 891 E N 4.342 124.530 120.200 -0.021 0.000 2.156 891 E HA 0.615 4.964 4.350 -0.002 0.000 0.279 891 E C -1.463 175.226 176.600 0.150 0.000 0.965 891 E CA -0.514 55.904 56.400 0.030 0.000 0.789 891 E CB 1.187 30.865 29.700 -0.037 0.000 1.098 891 E HN 0.593 nan 8.360 nan 0.000 0.397 892 L N 3.968 125.312 121.223 0.201 0.000 2.354 892 L HA 0.519 4.858 4.340 -0.002 0.000 0.269 892 L C -0.604 176.392 176.870 0.210 0.000 1.005 892 L CA -1.117 53.893 54.840 0.284 0.000 0.819 892 L CB 1.824 44.087 42.059 0.339 0.000 1.311 892 L HN 0.621 nan 8.230 nan 0.000 0.423 893 N N -1.604 117.135 118.700 0.065 0.000 2.357 893 N HA 0.261 4.999 4.740 -0.002 0.000 0.284 893 N C -0.556 174.510 175.510 -0.740 0.000 1.236 893 N CA -0.955 51.986 53.050 -0.181 0.000 0.774 893 N CB 1.029 39.486 38.487 -0.050 0.000 1.534 893 N HN 0.513 nan 8.380 nan 0.000 0.478 894 D N -0.765 119.127 120.400 -0.846 0.000 2.358 894 D HA -0.040 4.599 4.640 -0.002 0.000 0.241 894 D C 0.140 176.185 176.300 -0.425 0.000 1.094 894 D CA 0.559 53.956 54.000 -1.004 0.000 0.907 894 D CB -0.029 40.540 40.800 -0.386 0.000 0.893 894 D HN 0.611 nan 8.370 nan 0.000 0.528 895 K N -0.053 120.147 120.400 -0.333 0.000 2.397 895 K HA 0.123 4.441 4.320 -0.002 0.000 0.202 895 K C 0.059 176.509 176.600 -0.250 0.000 1.022 895 K CA -0.326 55.823 56.287 -0.230 0.000 1.141 895 K CB 0.113 32.475 32.500 -0.230 0.000 0.857 895 K HN -0.049 nan 8.250 nan 0.000 0.514 896 N N 1.996 120.583 118.700 -0.188 0.000 2.782 896 N HA -0.181 4.558 4.740 -0.002 0.000 0.251 896 N C -1.061 174.435 175.510 -0.023 0.000 1.101 896 N CA 1.029 54.049 53.050 -0.049 0.000 0.764 896 N CB -0.715 37.716 38.487 -0.092 0.000 1.122 896 N HN 0.453 nan 8.380 nan 0.000 0.561 897 Q N 0.160 119.987 119.800 0.045 0.000 2.256 897 Q HA 0.572 4.911 4.340 -0.002 0.000 0.257 897 Q C -0.146 176.212 176.000 0.596 0.000 0.936 897 Q CA -0.547 55.425 55.803 0.281 0.000 0.903 897 Q CB 0.933 29.834 28.738 0.271 0.000 1.263 897 Q HN 0.304 nan 8.270 nan 0.000 0.440 898 F N -0.976 119.300 119.950 0.544 0.000 2.563 898 F HA 0.678 5.204 4.527 -0.002 0.000 0.316 898 F C -0.923 174.904 175.800 0.045 0.000 1.076 898 F CA -1.330 56.843 58.000 0.288 0.000 0.921 898 F CB 1.409 40.496 39.000 0.145 0.000 1.209 898 F HN 0.243 nan 8.300 nan 0.000 0.462 899 K N 3.699 124.028 120.400 -0.118 0.000 2.221 899 K HA 0.651 4.969 4.320 -0.002 0.000 0.258 899 K C -1.732 174.782 176.600 -0.143 0.000 0.944 899 K CA -0.694 55.218 56.287 -0.624 0.000 0.823 899 K CB 1.445 33.087 32.500 -1.430 0.000 1.113 899 K HN 0.909 nan 8.250 nan 0.000 0.431 900 L N 4.552 125.746 121.223 -0.049 0.000 2.298 900 L HA 0.336 4.675 4.340 -0.002 0.000 0.284 900 L C 0.525 177.414 176.870 0.031 0.000 1.013 900 L CA -0.644 54.233 54.840 0.061 0.000 0.824 900 L CB 1.584 43.750 42.059 0.177 0.000 1.221 900 L HN 0.870 nan 8.230 nan 0.000 0.418 901 T N -1.865 112.694 114.554 0.008 0.000 2.898 901 T HA 0.221 4.570 4.350 -0.002 0.000 0.283 901 T C 1.104 175.813 174.700 0.015 0.000 1.059 901 T CA 0.024 62.138 62.100 0.023 0.000 0.958 901 T CB 1.228 70.086 68.868 -0.017 0.000 1.594 901 T HN 0.507 nan 8.240 nan 0.000 0.598 902 S N -0.743 114.958 115.700 0.003 0.000 2.548 902 S HA 0.191 4.660 4.470 -0.002 0.000 0.215 902 S C 0.783 175.369 174.600 -0.022 0.000 0.976 902 S CA -0.605 57.582 58.200 -0.022 0.000 0.908 902 S CB -0.505 62.676 63.200 -0.032 0.000 0.781 902 S HN 0.601 nan 8.310 nan 0.000 0.519 903 S N 1.869 117.559 115.700 -0.017 0.000 2.572 903 S HA 0.515 4.984 4.470 -0.002 0.000 0.279 903 S C 1.420 176.005 174.600 -0.026 0.000 1.341 903 S CA -0.024 58.163 58.200 -0.020 0.000 1.043 903 S CB 1.006 64.197 63.200 -0.016 0.000 0.887 903 S HN 0.578 nan 8.310 nan 0.000 0.516 904 A N 2.448 125.246 122.820 -0.037 0.000 2.121 904 A HA -0.114 4.204 4.320 -0.002 0.000 0.218 904 A C 1.740 179.278 177.584 -0.077 0.000 1.154 904 A CA 1.282 53.286 52.037 -0.055 0.000 0.679 904 A CB -0.520 18.444 19.000 -0.060 0.000 0.795 904 A HN 0.855 nan 8.150 nan 0.000 0.458 905 N N -0.753 117.915 118.700 -0.054 0.000 2.270 905 N HA 0.035 4.774 4.740 -0.002 0.000 0.198 905 N C 0.077 175.597 175.510 0.017 0.000 1.117 905 N CA 0.679 53.700 53.050 -0.048 0.000 0.845 905 N CB -0.228 38.253 38.487 -0.010 0.000 0.980 905 N HN 0.100 nan 8.380 nan 0.000 0.486 906 S N 0.574 116.278 115.700 0.008 0.000 3.170 906 S HA 0.284 4.753 4.470 -0.002 0.000 0.257 906 S C -0.525 174.104 174.600 0.048 0.000 1.284 906 S CA -0.736 57.482 58.200 0.030 0.000 0.973 906 S CB -0.520 62.687 63.200 0.011 0.000 1.330 906 S HN 0.509 nan 8.310 nan 0.000 0.493 907 K N 2.229 122.685 120.400 0.093 0.000 2.579 907 K HA 0.617 4.936 4.320 -0.002 0.000 0.284 907 K C -1.625 175.102 176.600 0.212 0.000 0.990 907 K CA -1.037 55.323 56.287 0.121 0.000 0.880 907 K CB 1.032 33.562 32.500 0.050 0.000 1.488 907 K HN 0.313 nan 8.250 nan 0.000 0.425 908 I N 0.909 121.578 120.570 0.164 0.000 2.582 908 I HA 0.440 4.609 4.170 -0.002 0.000 0.292 908 I C -0.724 175.523 176.117 0.217 0.000 1.066 908 I CA -0.884 60.463 61.300 0.079 0.000 1.053 908 I CB 2.226 40.058 38.000 -0.281 0.000 1.241 908 I HN 0.554 nan 8.210 nan 0.000 0.421 909 R N 5.729 126.347 120.500 0.197 0.000 2.437 909 R HA 0.742 5.081 4.340 -0.002 0.000 0.310 909 R C -1.932 174.449 176.300 0.134 0.000 0.955 909 R CA -0.454 55.762 56.100 0.193 0.000 0.851 909 R CB 1.793 32.238 30.300 0.241 0.000 1.161 909 R HN 0.489 nan 8.270 nan 0.000 0.446 910 V N 3.683 123.696 119.914 0.165 0.000 2.444 910 V HA 0.294 4.413 4.120 -0.002 0.000 0.294 910 V C -0.243 175.932 176.094 0.134 0.000 1.022 910 V CA -0.716 61.680 62.300 0.159 0.000 0.850 910 V CB 1.973 33.952 31.823 0.260 0.000 0.992 910 V HN 0.779 nan 8.190 nan 0.000 0.426 911 T N 5.352 119.968 114.554 0.105 0.000 2.811 911 T HA 0.288 4.637 4.350 -0.002 0.000 0.309 911 T C 0.130 174.896 174.700 0.109 0.000 1.005 911 T CA -0.316 61.838 62.100 0.090 0.000 0.955 911 T CB 0.241 69.147 68.868 0.063 0.000 0.970 911 T HN 0.641 nan 8.240 nan 0.000 0.496 912 Q N 2.491 122.371 119.800 0.135 0.000 2.432 912 Q HA 0.069 4.408 4.340 -0.002 0.000 0.264 912 Q C 0.595 176.663 176.000 0.114 0.000 1.035 912 Q CA -0.235 55.661 55.803 0.155 0.000 0.908 912 Q CB 0.556 29.420 28.738 0.210 0.000 1.280 912 Q HN 0.488 nan 8.270 nan 0.000 0.455 913 N N 1.750 120.513 118.700 0.106 0.000 2.431 913 N HA -0.072 4.667 4.740 -0.002 0.000 0.265 913 N C 0.341 175.892 175.510 0.068 0.000 1.184 913 N CA 0.224 53.321 53.050 0.078 0.000 0.943 913 N CB 0.816 39.349 38.487 0.077 0.000 1.080 913 N HN 0.437 nan 8.380 nan 0.000 0.477 914 Q N 2.080 121.915 119.800 0.060 0.000 2.472 914 Q HA 0.054 4.393 4.340 -0.002 0.000 0.208 914 Q C -0.020 176.012 176.000 0.053 0.000 0.958 914 Q CA 0.684 56.520 55.803 0.054 0.000 0.932 914 Q CB 0.152 28.913 28.738 0.040 0.000 1.007 914 Q HN 0.600 nan 8.270 nan 0.000 0.508 915 N N 0.298 119.027 118.700 0.049 0.000 2.251 915 N HA 0.188 4.927 4.740 -0.002 0.000 0.217 915 N C 0.154 175.702 175.510 0.062 0.000 1.124 915 N CA 0.075 53.159 53.050 0.056 0.000 0.843 915 N CB 1.145 39.656 38.487 0.040 0.000 1.024 915 N HN 0.230 nan 8.380 nan 0.000 0.501 916 I N 1.027 121.613 120.570 0.026 0.000 2.566 916 I HA 0.315 4.483 4.170 -0.002 0.000 0.303 916 I C 0.729 176.893 176.117 0.080 0.000 0.983 916 I CA -0.884 60.398 61.300 -0.031 0.000 1.235 916 I CB 1.465 39.294 38.000 -0.284 0.000 1.386 916 I HN -0.261 nan 8.210 nan 0.000 0.494 917 I N 4.473 125.104 120.570 0.101 0.000 2.696 917 I HA 0.068 4.237 4.170 -0.002 0.000 0.284 917 I C 0.493 176.748 176.117 0.230 0.000 1.129 917 I CA 0.930 62.330 61.300 0.167 0.000 1.410 917 I CB 0.534 38.637 38.000 0.172 0.000 1.399 917 I HN 0.753 nan 8.210 nan 0.000 0.579 918 F N 3.128 123.085 119.950 0.012 0.000 2.041 918 F HA -0.037 4.489 4.527 -0.002 0.000 0.451 918 F C -0.678 175.102 175.800 -0.033 0.000 0.879 918 F CA -0.592 57.397 58.000 -0.017 0.000 0.758 918 F CB 0.167 39.140 39.000 -0.046 0.000 1.269 918 F HN 0.546 nan 8.300 nan 0.000 0.499 919 N N 3.222 121.935 118.700 0.022 0.000 2.419 919 N HA 0.488 5.227 4.740 -0.002 0.000 0.264 919 N C -0.980 174.526 175.510 -0.006 0.000 1.031 919 N CA 0.419 53.403 53.050 -0.111 0.000 0.951 919 N CB 1.729 40.118 38.487 -0.163 0.000 1.101 919 N HN 0.350 nan 8.380 nan 0.000 0.488 920 S N -0.792 114.906 115.700 -0.003 0.000 2.586 920 S HA 0.177 4.646 4.470 -0.002 0.000 0.277 920 S C -0.925 173.686 174.600 0.018 0.000 1.131 920 S CA -1.256 56.954 58.200 0.017 0.000 0.848 920 S CB 0.591 63.820 63.200 0.047 0.000 1.091 920 S HN 0.627 nan 8.310 nan 0.000 0.453 921 V N 2.895 122.817 119.914 0.014 0.000 2.442 921 V HA 0.455 4.573 4.120 -0.002 0.000 0.272 921 V C 0.844 176.959 176.094 0.034 0.000 0.989 921 V CA 2.220 64.530 62.300 0.018 0.000 1.123 921 V CB -1.346 30.483 31.823 0.011 0.000 1.008 921 V HN 2.230 nan 8.190 nan 0.000 0.469 922 F N 4.422 124.401 119.950 0.047 0.000 1.623 922 F HA 0.171 4.697 4.527 -0.002 0.000 0.404 922 F C -0.100 175.761 175.800 0.101 0.000 1.099 922 F CA -0.045 57.995 58.000 0.066 0.000 1.159 922 F CB -1.134 37.905 39.000 0.065 0.000 1.802 922 F HN 1.689 nan 8.300 nan 0.000 0.200 923 L N 1.962 123.254 121.223 0.115 0.000 2.431 923 L HA 0.311 4.650 4.340 -0.002 0.000 0.621 923 L C -1.148 175.883 176.870 0.268 0.000 1.001 923 L CA 0.656 55.605 54.840 0.182 0.000 1.325 923 L CB -1.181 41.005 42.059 0.213 0.000 1.972 923 L HN 1.198 nan 8.230 nan 0.000 0.953 924 D N 6.007 126.598 120.400 0.318 0.000 2.358 924 D HA 0.706 5.345 4.640 -0.002 0.000 0.253 924 D C -0.721 175.839 176.300 0.433 0.000 1.288 924 D CA 0.472 54.655 54.000 0.305 0.000 0.950 924 D CB 0.401 41.304 40.800 0.173 0.000 1.197 924 D HN 0.516 nan 8.370 nan 0.000 0.550 925 F N -0.248 119.723 119.950 0.034 0.000 2.770 925 F HA 0.726 5.252 4.527 -0.002 0.000 0.313 925 F C -1.566 174.148 175.800 -0.142 0.000 1.154 925 F CA -0.924 57.045 58.000 -0.053 0.000 0.923 925 F CB 1.039 39.986 39.000 -0.089 0.000 1.301 925 F HN 0.028 nan 8.300 nan 0.000 0.449 926 S N 0.840 116.320 115.700 -0.367 0.000 2.599 926 S HA 0.822 5.291 4.470 -0.002 0.000 0.287 926 S C -1.480 172.863 174.600 -0.428 0.000 1.105 926 S CA -0.809 57.062 58.200 -0.548 0.000 0.899 926 S CB 2.270 65.225 63.200 -0.409 0.000 1.100 926 S HN 0.625 nan 8.310 nan 0.000 0.482 927 V N 2.404 121.998 119.914 -0.533 0.000 2.577 927 V HA 0.747 4.865 4.120 -0.002 0.000 0.303 927 V C -0.444 175.454 176.094 -0.326 0.000 1.042 927 V CA -0.610 61.472 62.300 -0.364 0.000 0.872 927 V CB 1.640 33.269 31.823 -0.325 0.000 0.998 927 V HN 0.963 nan 8.190 nan 0.000 0.423 928 S N 5.037 120.603 115.700 -0.224 0.000 2.526 928 S HA 0.995 5.463 4.470 -0.002 0.000 0.293 928 S C -1.008 173.564 174.600 -0.047 0.000 1.092 928 S CA -0.585 57.433 58.200 -0.304 0.000 0.980 928 S CB 2.235 65.404 63.200 -0.052 0.000 1.048 928 S HN 1.299 nan 8.310 nan 0.000 0.483 929 F N -1.854 118.038 119.950 -0.096 0.000 2.769 929 F HA 0.766 5.291 4.527 -0.002 0.000 0.313 929 F C -2.238 173.707 175.800 0.242 0.000 1.146 929 F CA -1.812 56.350 58.000 0.270 0.000 0.934 929 F CB 0.018 39.310 39.000 0.488 0.000 1.283 929 F HN 0.632 nan 8.300 nan 0.000 0.443 930 W N 2.649 124.363 121.300 0.690 0.000 2.509 930 W HA 0.831 5.490 4.660 -0.002 0.000 0.351 930 W C -0.681 176.273 176.519 0.724 0.000 1.107 930 W CA -0.862 56.841 57.345 0.596 0.000 1.264 930 W CB 1.667 31.333 29.460 0.343 0.000 1.312 930 W HN 0.731 nan 8.180 nan 0.000 0.608 931 I N 1.401 122.499 120.570 0.879 0.000 2.787 931 I HA 0.352 4.521 4.170 -0.002 0.000 0.294 931 I C -1.349 174.842 176.117 0.122 0.000 1.365 931 I CA -1.171 60.449 61.300 0.534 0.000 1.029 931 I CB 1.893 40.093 38.000 0.333 0.000 1.313 931 I HN 0.462 nan 8.210 nan 0.000 0.431 932 R N 7.459 127.824 120.500 -0.225 0.000 2.409 932 R HA 0.631 4.970 4.340 -0.002 0.000 0.313 932 R C -1.642 174.630 176.300 -0.047 0.000 0.953 932 R CA -0.458 55.431 56.100 -0.353 0.000 0.849 932 R CB 1.143 30.825 30.300 -1.030 0.000 1.171 932 R HN 0.542 nan 8.270 nan 0.000 0.458 933 I N 7.435 128.051 120.570 0.077 0.000 2.306 933 I HA 0.322 4.491 4.170 -0.002 0.000 0.288 933 I C -1.809 174.363 176.117 0.093 0.000 1.036 933 I CA -2.415 58.972 61.300 0.145 0.000 1.221 933 I CB 1.537 39.741 38.000 0.341 0.000 1.385 933 I HN 0.433 nan 8.210 nan 0.000 0.472 934 P HA -0.070 nan 4.420 nan 0.000 0.265 934 P C -0.402 176.843 177.300 -0.092 0.000 1.187 934 P CA -0.051 62.925 63.100 -0.208 0.000 0.766 934 P CB 0.901 32.175 31.700 -0.711 0.000 0.820 935 K N 2.944 123.240 120.400 -0.172 0.000 2.336 935 K HA -0.014 4.305 4.320 -0.002 0.000 0.262 935 K C 0.045 176.336 176.600 -0.513 0.000 0.992 935 K CA -0.255 55.779 56.287 -0.421 0.000 0.927 935 K CB 0.014 32.015 32.500 -0.832 0.000 0.956 935 K HN 0.406 nan 8.250 nan 0.000 0.495 936 Y N 0.669 120.674 120.300 -0.492 0.000 2.336 936 Y HA 0.251 4.799 4.550 -0.002 0.000 0.331 936 Y C -0.177 175.451 175.900 -0.453 0.000 1.211 936 Y CA -0.971 56.712 58.100 -0.695 0.000 1.346 936 Y CB 0.356 37.954 38.460 -1.436 0.000 1.271 936 Y HN 0.176 nan 8.280 nan 0.000 0.538 937 K N 3.065 123.394 120.400 -0.118 0.000 2.339 937 K HA 0.070 4.389 4.320 -0.002 0.000 0.286 937 K C 0.244 176.870 176.600 0.043 0.000 1.050 937 K CA -0.168 56.075 56.287 -0.073 0.000 0.956 937 K CB 0.760 33.240 32.500 -0.032 0.000 0.990 937 K HN 0.790 nan 8.250 nan 0.000 0.475 938 N N 1.965 120.708 118.700 0.072 0.000 2.272 938 N HA -0.193 4.546 4.740 -0.002 0.000 0.185 938 N C 0.712 176.288 175.510 0.111 0.000 1.014 938 N CA 1.386 54.527 53.050 0.152 0.000 0.870 938 N CB -0.044 38.607 38.487 0.273 0.000 0.975 938 N HN 0.642 nan 8.380 nan 0.000 0.433 939 D N -1.783 118.663 120.400 0.077 0.000 2.319 939 D HA 0.141 4.779 4.640 -0.002 0.000 0.230 939 D C 0.864 177.186 176.300 0.037 0.000 1.094 939 D CA 0.042 54.078 54.000 0.061 0.000 0.856 939 D CB -0.223 40.607 40.800 0.049 0.000 0.915 939 D HN 0.133 nan 8.370 nan 0.000 0.517 940 G N -0.001 108.816 108.800 0.028 0.000 5.021 940 G HA2 0.090 4.049 3.960 -0.002 0.000 0.254 940 G HA3 0.090 4.049 3.960 -0.002 0.000 0.254 940 G C 0.590 175.501 174.900 0.020 0.000 0.932 940 G CA -0.369 44.744 45.100 0.022 0.000 0.743 940 G HN 0.167 nan 8.290 nan 0.000 0.441 941 I N 0.146 120.702 120.570 -0.023 0.000 2.454 941 I HA -0.109 4.060 4.170 -0.002 0.000 0.254 941 I C 2.382 178.467 176.117 -0.053 0.000 1.156 941 I CA 1.468 62.711 61.300 -0.095 0.000 1.433 941 I CB 0.181 38.062 38.000 -0.197 0.000 1.082 941 I HN 0.128 nan 8.210 nan 0.000 0.432 942 Q N 0.598 120.365 119.800 -0.055 0.000 2.002 942 Q HA -0.198 4.141 4.340 -0.002 0.000 0.204 942 Q C 2.104 178.085 176.000 -0.032 0.000 0.988 942 Q CA 1.809 57.558 55.803 -0.090 0.000 0.843 942 Q CB -0.761 27.940 28.738 -0.061 0.000 0.908 942 Q HN 0.578 nan 8.270 nan 0.000 0.420 943 N N -0.069 118.641 118.700 0.018 0.000 2.188 943 N HA -0.152 4.587 4.740 -0.002 0.000 0.184 943 N C 1.726 177.293 175.510 0.096 0.000 1.018 943 N CA 0.771 53.853 53.050 0.053 0.000 0.858 943 N CB -0.421 38.089 38.487 0.038 0.000 0.989 943 N HN 0.302 nan 8.380 nan 0.000 0.426 944 Y N 2.675 122.958 120.300 -0.029 0.000 2.081 944 Y HA -0.197 4.352 4.550 -0.002 0.000 0.280 944 Y C 2.270 178.146 175.900 -0.039 0.000 1.163 944 Y CA 1.825 59.917 58.100 -0.012 0.000 1.135 944 Y CB -0.405 38.050 38.460 -0.009 0.000 0.970 944 Y HN 0.088 nan 8.280 nan 0.000 0.498 945 I N -2.524 118.049 120.570 0.005 0.000 2.928 945 I HA -0.123 4.046 4.170 -0.002 0.000 0.266 945 I C 2.285 178.307 176.117 -0.159 0.000 1.234 945 I CA 1.568 62.761 61.300 -0.179 0.000 1.483 945 I CB -0.653 37.221 38.000 -0.211 0.000 1.097 945 I HN 0.326 nan 8.210 nan 0.000 0.455 946 H N 1.872 120.843 119.070 -0.165 0.000 2.439 946 H HA 0.188 4.743 4.556 -0.002 0.000 0.299 946 H C 0.083 175.351 175.328 -0.101 0.000 1.033 946 H CA 0.140 56.109 56.048 -0.132 0.000 1.348 946 H CB 0.424 30.122 29.762 -0.106 0.000 1.449 946 H HN 0.295 nan 8.280 nan 0.000 0.544 947 N N 2.584 121.289 118.700 0.008 0.000 2.420 947 N HA 0.003 4.742 4.740 -0.002 0.000 0.262 947 N C -0.358 175.155 175.510 0.005 0.000 1.144 947 N CA 0.190 53.243 53.050 0.006 0.000 0.952 947 N CB 1.250 39.778 38.487 0.068 0.000 1.081 947 N HN 0.473 nan 8.380 nan 0.000 0.480 948 E N 2.820 122.995 120.200 -0.042 0.000 2.156 948 E HA 0.222 4.571 4.350 -0.002 0.000 0.279 948 E C -1.216 175.422 176.600 0.064 0.000 0.965 948 E CA -0.666 55.697 56.400 -0.061 0.000 0.789 948 E CB 0.630 30.238 29.700 -0.152 0.000 1.098 948 E HN 0.551 nan 8.360 nan 0.000 0.397 949 Y N 0.217 120.465 120.300 -0.086 0.000 2.477 949 Y HA 0.470 5.019 4.550 -0.002 0.000 0.347 949 Y C -0.387 175.485 175.900 -0.046 0.000 0.981 949 Y CA -1.210 56.854 58.100 -0.060 0.000 1.033 949 Y CB 1.141 39.572 38.460 -0.047 0.000 1.245 949 Y HN 0.104 nan 8.280 nan 0.000 0.455 950 T N 4.265 118.834 114.554 0.025 0.000 2.913 950 T HA 0.278 4.627 4.350 -0.002 0.000 0.297 950 T C 1.125 175.835 174.700 0.017 0.000 1.029 950 T CA -0.037 62.038 62.100 -0.041 0.000 1.104 950 T CB 0.637 69.475 68.868 -0.050 0.000 0.964 950 T HN 0.804 nan 8.240 nan 0.000 0.532 951 I N -0.913 119.640 120.570 -0.028 0.000 4.433 951 I HA 0.506 4.675 4.170 -0.002 0.000 0.322 951 I C -0.069 176.007 176.117 -0.069 0.000 1.284 951 I CA -0.013 61.301 61.300 0.024 0.000 1.269 951 I CB 0.556 38.586 38.000 0.050 0.000 1.219 951 I HN 0.344 nan 8.210 nan 0.000 0.436 952 I N 2.617 123.090 120.570 -0.161 0.000 2.534 952 I HA 0.334 4.503 4.170 -0.002 0.000 0.286 952 I C -1.380 174.522 176.117 -0.358 0.000 1.094 952 I CA -0.332 60.734 61.300 -0.391 0.000 1.055 952 I CB 1.924 39.667 38.000 -0.429 0.000 1.225 952 I HN 0.178 nan 8.210 nan 0.000 0.435 953 N N 5.950 124.389 118.700 -0.435 0.000 2.399 953 N HA 0.364 5.103 4.740 -0.002 0.000 0.284 953 N C -1.649 173.520 175.510 -0.569 0.000 1.025 953 N CA -0.296 52.494 53.050 -0.433 0.000 0.885 953 N CB 2.490 40.819 38.487 -0.264 0.000 1.339 953 N HN 0.666 nan 8.380 nan 0.000 0.487 954 C N 7.381 126.193 119.300 -0.814 0.000 2.647 954 C HA 0.563 5.022 4.460 -0.002 0.000 0.273 954 C C -0.856 173.812 174.990 -0.537 0.000 1.088 954 C CA -0.498 58.031 59.018 -0.814 0.000 1.529 954 C CB -1.040 25.778 27.740 -1.538 0.000 1.810 954 C HN 0.645 nan 8.230 nan 0.000 0.422 955 M N 3.635 123.049 119.600 -0.309 0.000 2.662 955 M HA 0.605 5.084 4.480 -0.002 0.000 0.310 955 M C -0.754 175.468 176.300 -0.129 0.000 1.204 955 M CA -0.360 54.822 55.300 -0.197 0.000 0.891 955 M CB 2.132 34.633 32.600 -0.164 0.000 1.732 955 M HN 0.644 nan 8.290 nan 0.000 0.467 956 K N 1.641 121.983 120.400 -0.096 0.000 2.571 956 K HA 0.285 4.604 4.320 -0.002 0.000 0.252 956 K C -0.937 175.628 176.600 -0.059 0.000 0.956 956 K CA -0.315 55.930 56.287 -0.069 0.000 0.822 956 K CB 0.969 33.432 32.500 -0.061 0.000 1.286 956 K HN 0.745 nan 8.250 nan 0.000 0.439 957 N N 4.045 122.715 118.700 -0.050 0.000 2.725 957 N HA -0.220 4.519 4.740 -0.002 0.000 0.251 957 N C -0.988 174.496 175.510 -0.045 0.000 1.031 957 N CA 1.365 54.390 53.050 -0.043 0.000 0.720 957 N CB -1.247 37.217 38.487 -0.038 0.000 0.930 957 N HN 0.981 nan 8.380 nan 0.000 0.543 958 N N -2.245 116.424 118.700 -0.052 0.000 2.725 958 N HA -0.210 4.529 4.740 -0.002 0.000 0.249 958 N C -0.537 174.942 175.510 -0.052 0.000 1.103 958 N CA 1.475 54.494 53.050 -0.053 0.000 0.707 958 N CB -0.955 37.507 38.487 -0.042 0.000 1.043 958 N HN 0.615 nan 8.380 nan 0.000 0.553 959 S N -1.419 114.246 115.700 -0.058 0.000 2.546 959 S HA 0.848 5.317 4.470 -0.002 0.000 0.274 959 S C 0.094 174.657 174.600 -0.061 0.000 1.121 959 S CA 0.418 58.588 58.200 -0.049 0.000 0.887 959 S CB 2.318 65.496 63.200 -0.037 0.000 1.094 959 S HN 0.841 nan 8.310 nan 0.000 0.474 960 G N 2.310 111.090 108.800 -0.033 0.000 2.350 960 G HA2 0.185 4.144 3.960 -0.002 0.000 0.282 960 G HA3 0.185 4.144 3.960 -0.002 0.000 0.282 960 G C -1.432 173.492 174.900 0.040 0.000 1.314 960 G CA -0.243 44.850 45.100 -0.013 0.000 0.915 960 G HN 0.978 nan 8.290 nan 0.000 0.499 961 W N -0.010 121.245 121.300 -0.076 0.000 2.594 961 W HA 0.906 5.564 4.660 -0.002 0.000 0.365 961 W C -0.490 175.829 176.519 -0.334 0.000 1.196 961 W CA -1.051 56.110 57.345 -0.307 0.000 1.258 961 W CB 1.474 30.758 29.460 -0.294 0.000 1.405 961 W HN 0.811 nan 8.180 nan 0.000 0.640 962 K N 0.904 121.162 120.400 -0.236 0.000 2.572 962 K HA 0.490 4.808 4.320 -0.002 0.000 0.263 962 K C -2.032 174.545 176.600 -0.040 0.000 0.932 962 K CA -0.663 55.520 56.287 -0.174 0.000 0.838 962 K CB 2.364 34.745 32.500 -0.198 0.000 1.366 962 K HN 0.597 nan 8.250 nan 0.000 0.425 963 I N 3.152 123.784 120.570 0.103 0.000 2.410 963 I HA 0.288 4.457 4.170 -0.002 0.000 0.286 963 I C -0.348 175.803 176.117 0.057 0.000 1.009 963 I CA -0.373 61.059 61.300 0.219 0.000 1.111 963 I CB 1.897 40.125 38.000 0.380 0.000 1.262 963 I HN 0.691 nan 8.210 nan 0.000 0.443 964 S N 6.620 122.331 115.700 0.019 0.000 2.704 964 S HA 0.814 5.283 4.470 -0.002 0.000 0.296 964 S C -0.823 173.655 174.600 -0.203 0.000 1.138 964 S CA -0.808 57.316 58.200 -0.126 0.000 0.875 964 S CB 2.364 65.479 63.200 -0.142 0.000 1.151 964 S HN 0.426 nan 8.310 nan 0.000 0.500 965 I N 0.614 120.883 120.570 -0.503 0.000 2.569 965 I HA 0.498 4.667 4.170 -0.002 0.000 0.290 965 I C -0.500 175.252 176.117 -0.609 0.000 1.088 965 I CA -0.475 60.501 61.300 -0.541 0.000 1.047 965 I CB 2.320 39.959 38.000 -0.602 0.000 1.237 965 I HN 0.672 nan 8.210 nan 0.000 0.421 966 R N 4.737 125.005 120.500 -0.388 0.000 2.358 966 R HA 0.551 4.890 4.340 -0.002 0.000 0.309 966 R C 0.519 176.554 176.300 -0.441 0.000 1.026 966 R CA 0.432 56.329 56.100 -0.338 0.000 0.909 966 R CB 1.081 31.194 30.300 -0.312 0.000 1.153 966 R HN 0.952 nan 8.270 nan 0.000 0.515 967 G N 3.969 112.422 108.800 -0.578 0.000 2.602 967 G HA2 -0.447 3.512 3.960 -0.002 0.000 0.310 967 G HA3 -0.447 3.512 3.960 -0.002 0.000 0.310 967 G C 0.307 174.704 174.900 -0.838 0.000 1.183 967 G CA 0.507 44.804 45.100 -1.338 0.000 0.979 967 G HN 0.740 nan 8.290 nan 0.000 0.545 968 N N 1.378 119.736 118.700 -0.570 0.000 2.313 968 N HA 0.092 4.831 4.740 -0.002 0.000 0.207 968 N C 0.659 175.665 175.510 -0.840 0.000 1.141 968 N CA 0.742 53.448 53.050 -0.572 0.000 0.830 968 N CB 0.347 38.615 38.487 -0.363 0.000 1.008 968 N HN 0.889 nan 8.380 nan 0.000 0.481 969 R N 0.315 120.511 120.500 -0.507 0.000 2.686 969 R HA 0.532 4.871 4.340 -0.002 0.000 0.286 969 R C -1.472 174.728 176.300 -0.168 0.000 0.969 969 R CA -0.743 55.129 56.100 -0.380 0.000 0.898 969 R CB 1.520 31.569 30.300 -0.418 0.000 1.183 969 R HN 0.170 nan 8.270 nan 0.000 0.456 970 I N 5.010 125.600 120.570 0.032 0.000 2.406 970 I HA 0.397 4.566 4.170 -0.002 0.000 0.290 970 I C -1.399 174.858 176.117 0.233 0.000 0.999 970 I CA -0.997 60.404 61.300 0.168 0.000 1.124 970 I CB 1.298 39.523 38.000 0.375 0.000 1.289 970 I HN 0.600 nan 8.210 nan 0.000 0.441 971 I N 8.035 128.714 120.570 0.181 0.000 2.474 971 I HA 0.322 4.490 4.170 -0.002 0.000 0.294 971 I C -1.022 175.280 176.117 0.308 0.000 1.005 971 I CA -0.260 61.187 61.300 0.245 0.000 1.113 971 I CB 1.565 39.633 38.000 0.112 0.000 1.289 971 I HN 0.542 nan 8.210 nan 0.000 0.436 972 W N 6.389 127.792 121.300 0.173 0.000 2.429 972 W HA 0.610 5.269 4.660 -0.002 0.000 0.314 972 W C -1.518 175.095 176.519 0.157 0.000 1.062 972 W CA -0.486 56.962 57.345 0.172 0.000 1.211 972 W CB 1.862 31.399 29.460 0.128 0.000 1.305 972 W HN 0.455 nan 8.180 nan 0.000 0.476 973 T N 6.960 121.234 114.554 -0.466 0.000 2.848 973 T HA 0.540 4.889 4.350 -0.002 0.000 0.285 973 T C -0.409 174.035 174.700 -0.427 0.000 0.995 973 T CA -0.585 61.328 62.100 -0.312 0.000 0.970 973 T CB 1.910 70.689 68.868 -0.149 0.000 0.976 973 T HN 0.312 nan 8.240 nan 0.000 0.441 974 L N 3.396 124.518 121.223 -0.169 0.000 2.329 974 L HA 0.673 5.012 4.340 -0.002 0.000 0.279 974 L C -0.687 176.183 176.870 0.000 0.000 1.014 974 L CA -0.980 53.839 54.840 -0.035 0.000 0.814 974 L CB 1.625 43.767 42.059 0.139 0.000 1.257 974 L HN 0.548 nan 8.230 nan 0.000 0.424 975 I N 2.170 122.745 120.570 0.008 0.000 2.503 975 I HA 0.177 4.346 4.170 -0.002 0.000 0.282 975 I C -0.901 175.223 176.117 0.011 0.000 1.059 975 I CA -0.748 60.551 61.300 -0.001 0.000 1.081 975 I CB 1.768 39.749 38.000 -0.032 0.000 1.210 975 I HN 0.585 nan 8.210 nan 0.000 0.450 976 D N 5.754 126.165 120.400 0.018 0.000 2.354 976 D HA 0.177 4.815 4.640 -0.002 0.000 0.247 976 D C 1.533 177.831 176.300 -0.003 0.000 1.138 976 D CA -0.664 53.345 54.000 0.014 0.000 0.958 976 D CB 1.026 41.839 40.800 0.022 0.000 1.144 976 D HN 0.599 nan 8.370 nan 0.000 0.458 977 I N -1.816 118.748 120.570 -0.010 0.000 2.290 977 I HA -0.363 3.806 4.170 -0.002 0.000 0.253 977 I C 0.977 177.086 176.117 -0.013 0.000 1.112 977 I CA 1.437 62.727 61.300 -0.016 0.000 1.377 977 I CB -0.685 37.304 38.000 -0.019 0.000 1.060 977 I HN 0.233 nan 8.210 nan 0.000 0.428 978 N N 1.385 120.081 118.700 -0.008 0.000 2.331 978 N HA -0.002 4.737 4.740 -0.002 0.000 0.180 978 N C 1.694 177.199 175.510 -0.008 0.000 1.019 978 N CA 1.555 54.601 53.050 -0.006 0.000 0.881 978 N CB 0.216 38.702 38.487 -0.002 0.000 0.972 978 N HN 0.722 nan 8.380 nan 0.000 0.435 979 G N 0.516 109.311 108.800 -0.008 0.000 2.192 979 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.193 979 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.193 979 G C 0.072 174.969 174.900 -0.005 0.000 0.999 979 G CA -0.168 44.925 45.100 -0.010 0.000 0.659 979 G HN 0.305 nan 8.290 nan 0.000 0.503 980 K N 1.615 122.016 120.400 0.002 0.000 2.401 980 K HA 0.614 4.933 4.320 -0.002 0.000 0.278 980 K C -0.022 176.586 176.600 0.013 0.000 1.018 980 K CA 0.563 56.855 56.287 0.009 0.000 0.981 980 K CB 0.505 33.014 32.500 0.015 0.000 0.933 980 K HN 0.072 nan 8.250 nan 0.000 0.477 981 T N 5.147 119.709 114.554 0.014 0.000 2.861 981 T HA 0.502 4.851 4.350 -0.002 0.000 0.287 981 T C -1.082 173.637 174.700 0.032 0.000 1.003 981 T CA -0.929 61.181 62.100 0.017 0.000 0.977 981 T CB 1.041 69.910 68.868 0.001 0.000 0.996 981 T HN 0.351 nan 8.240 nan 0.000 0.448 982 K N 1.493 121.922 120.400 0.048 0.000 2.443 982 K HA 0.864 5.183 4.320 -0.002 0.000 0.251 982 K C -0.739 175.915 176.600 0.090 0.000 0.972 982 K CA -0.799 55.530 56.287 0.071 0.000 0.833 982 K CB 2.480 35.033 32.500 0.088 0.000 1.317 982 K HN 0.585 nan 8.250 nan 0.000 0.441 983 S N -0.413 115.356 115.700 0.115 0.000 2.720 983 S HA 0.692 5.161 4.470 -0.002 0.000 0.287 983 S C -1.549 173.155 174.600 0.174 0.000 1.168 983 S CA -0.736 57.562 58.200 0.163 0.000 0.832 983 S CB 2.277 65.574 63.200 0.161 0.000 1.166 983 S HN 0.362 nan 8.310 nan 0.000 0.493 984 V N 2.055 122.101 119.914 0.220 0.000 3.108 984 V HA 0.789 4.908 4.120 -0.002 0.000 0.287 984 V C -2.325 173.871 176.094 0.169 0.000 1.436 984 V CA -0.713 61.622 62.300 0.059 0.000 1.001 984 V CB 1.624 33.476 31.823 0.049 0.000 1.141 984 V HN 0.945 nan 8.190 nan 0.000 0.443 985 F N 4.207 124.209 119.950 0.087 0.000 2.686 985 F HA 0.860 5.386 4.527 -0.002 0.000 0.311 985 F C -1.887 173.984 175.800 0.119 0.000 1.128 985 F CA -1.514 56.546 58.000 0.100 0.000 0.946 985 F CB 1.504 40.526 39.000 0.037 0.000 1.336 985 F HN 0.558 nan 8.300 nan 0.000 0.457 986 F N 2.032 122.141 119.950 0.266 0.000 2.477 986 F HA 0.594 5.120 4.527 -0.002 0.000 0.335 986 F C -0.920 174.966 175.800 0.143 0.000 1.130 986 F CA -0.799 57.276 58.000 0.124 0.000 0.948 986 F CB 1.538 40.555 39.000 0.028 0.000 1.154 986 F HN 0.781 nan 8.300 nan 0.000 0.439 987 E N 6.683 126.581 120.200 -0.502 0.000 2.155 987 E HA 0.282 4.631 4.350 -0.002 0.000 0.264 987 E C -1.689 174.390 176.600 -0.868 0.000 0.886 987 E CA -0.905 55.117 56.400 -0.631 0.000 0.752 987 E CB 0.937 30.476 29.700 -0.268 0.000 1.133 987 E HN 0.606 nan 8.360 nan 0.000 0.414 988 Y N 2.417 122.258 120.300 -0.766 0.000 2.327 988 Y HA 0.370 4.919 4.550 -0.002 0.000 0.336 988 Y C 0.100 175.940 175.900 -0.101 0.000 1.035 988 Y CA -1.543 56.255 58.100 -0.504 0.000 1.165 988 Y CB 0.170 38.378 38.460 -0.421 0.000 1.181 988 Y HN 0.410 nan 8.280 nan 0.000 0.494 989 N N 3.891 122.668 118.700 0.129 0.000 2.356 989 N HA -0.037 4.702 4.740 -0.002 0.000 0.252 989 N C 0.326 176.006 175.510 0.284 0.000 1.241 989 N CA 0.365 53.511 53.050 0.159 0.000 0.861 989 N CB 0.322 38.904 38.487 0.159 0.000 1.075 989 N HN 0.837 nan 8.380 nan 0.000 0.461 990 I N -0.213 120.496 120.570 0.232 0.000 3.877 990 I HA 0.349 4.518 4.170 -0.002 0.000 0.332 990 I C 0.355 176.615 176.117 0.239 0.000 1.525 990 I CA -0.304 61.182 61.300 0.309 0.000 1.146 990 I CB 0.222 38.388 38.000 0.276 0.000 1.137 990 I HN 0.388 nan 8.210 nan 0.000 0.424 991 R N 1.172 121.791 120.500 0.198 0.000 2.577 991 R HA 0.295 4.633 4.340 -0.002 0.000 0.344 991 R C -0.305 176.109 176.300 0.190 0.000 1.037 991 R CA -0.250 55.948 56.100 0.163 0.000 1.102 991 R CB 0.557 30.918 30.300 0.102 0.000 1.313 991 R HN 0.333 nan 8.270 nan 0.000 0.561 992 E N 1.025 121.370 120.200 0.241 0.000 2.331 992 E HA 0.022 4.371 4.350 -0.002 0.000 0.272 992 E C 0.179 176.940 176.600 0.268 0.000 1.036 992 E CA -0.087 56.451 56.400 0.230 0.000 0.864 992 E CB 1.124 30.968 29.700 0.240 0.000 1.035 992 E HN 0.029 nan 8.360 nan 0.000 0.408 993 D N 0.978 121.512 120.400 0.224 0.000 2.097 993 D HA -0.070 4.569 4.640 -0.002 0.000 0.195 993 D C 0.539 177.000 176.300 0.268 0.000 0.989 993 D CA 1.294 55.438 54.000 0.241 0.000 0.827 993 D CB 0.395 41.306 40.800 0.184 0.000 0.966 993 D HN 0.280 nan 8.370 nan 0.000 0.456 994 I N 0.207 120.912 120.570 0.225 0.000 2.499 994 I HA 0.161 4.330 4.170 -0.002 0.000 0.288 994 I C -0.127 176.089 176.117 0.165 0.000 1.048 994 I CA -0.532 60.877 61.300 0.181 0.000 1.062 994 I CB 1.815 39.932 38.000 0.194 0.000 1.238 994 I HN -0.242 nan 8.210 nan 0.000 0.426 995 S N 4.071 119.868 115.700 0.162 0.000 2.593 995 S HA 0.424 4.893 4.470 -0.002 0.000 0.297 995 S C 0.602 175.182 174.600 -0.033 0.000 1.112 995 S CA -0.382 57.906 58.200 0.147 0.000 1.043 995 S CB 1.470 64.840 63.200 0.283 0.000 1.054 995 S HN 0.618 nan 8.310 nan 0.000 0.516 996 E N 1.670 121.736 120.200 -0.224 0.000 2.463 996 E HA 0.100 4.449 4.350 -0.002 0.000 0.193 996 E C -0.247 175.911 176.600 -0.737 0.000 1.041 996 E CA 0.280 56.339 56.400 -0.568 0.000 0.879 996 E CB 0.287 29.525 29.700 -0.770 0.000 0.997 996 E HN 0.785 nan 8.360 nan 0.000 0.478 997 Y N -0.701 119.588 120.300 -0.019 0.000 2.652 997 Y HA 0.252 4.801 4.550 -0.002 0.000 0.274 997 Y C 0.911 176.789 175.900 -0.036 0.000 1.148 997 Y CA -0.598 57.450 58.100 -0.087 0.000 1.219 997 Y CB 0.583 38.749 38.460 -0.489 0.000 1.337 997 Y HN -0.142 nan 8.280 nan 0.000 0.490 998 I N 3.243 123.890 120.570 0.129 0.000 2.769 998 I HA -0.169 4.000 4.170 -0.002 0.000 0.285 998 I C 0.977 177.346 176.117 0.419 0.000 1.173 998 I CA 1.071 62.528 61.300 0.262 0.000 1.389 998 I CB -0.298 37.968 38.000 0.443 0.000 1.404 998 I HN 0.552 nan 8.210 nan 0.000 0.544 999 N N 4.201 123.080 118.700 0.299 0.000 2.878 999 N HA -0.202 4.537 4.740 -0.002 0.000 0.247 999 N C -0.237 175.458 175.510 0.307 0.000 1.021 999 N CA 0.516 53.686 53.050 0.201 0.000 0.873 999 N CB -0.153 38.401 38.487 0.111 0.000 1.128 999 N HN 0.608 nan 8.380 nan 0.000 0.571 1000 R N -0.175 120.569 120.500 0.405 0.000 2.589 1000 R HA 0.251 4.590 4.340 -0.002 0.000 0.293 1000 R C -0.739 175.860 176.300 0.499 0.000 0.963 1000 R CA -0.583 55.795 56.100 0.463 0.000 0.905 1000 R CB 0.691 31.230 30.300 0.400 0.000 1.144 1000 R HN 0.104 nan 8.270 nan 0.000 0.459 1001 W N 3.743 125.323 121.300 0.467 0.000 2.264 1001 W HA 0.054 4.713 4.660 -0.002 0.000 0.331 1001 W C 0.100 177.087 176.519 0.779 0.000 1.364 1001 W CA 0.242 57.892 57.345 0.508 0.000 1.253 1001 W CB 0.264 29.959 29.460 0.391 0.000 1.215 1001 W HN 0.455 nan 8.180 nan 0.000 0.561 1002 F N 2.765 123.305 119.950 0.982 0.000 2.631 1002 F HA 0.552 5.077 4.527 -0.002 0.000 0.308 1002 F C -1.786 174.289 175.800 0.458 0.000 1.097 1002 F CA -2.597 55.837 58.000 0.724 0.000 0.952 1002 F CB 0.575 39.898 39.000 0.539 0.000 1.307 1002 F HN 0.105 nan 8.300 nan 0.000 0.450 1003 F N 3.406 123.375 119.950 0.032 0.000 2.424 1003 F HA 0.690 5.216 4.527 -0.002 0.000 0.356 1003 F C -0.857 174.767 175.800 -0.294 0.000 1.110 1003 F CA -1.063 56.554 58.000 -0.637 0.000 1.161 1003 F CB 1.063 39.452 39.000 -1.018 0.000 1.115 1003 F HN 0.434 nan 8.300 nan 0.000 0.507 1004 V N 4.813 124.122 119.914 -1.009 0.000 2.581 1004 V HA 0.633 4.752 4.120 -0.002 0.000 0.303 1004 V C -0.448 174.818 176.094 -1.380 0.000 1.041 1004 V CA -0.541 61.161 62.300 -0.996 0.000 0.907 1004 V CB 2.144 33.356 31.823 -1.018 0.000 0.994 1004 V HN 0.829 nan 8.190 nan 0.000 0.442 1005 T N 5.124 119.138 114.554 -0.900 0.000 3.032 1005 T HA 0.652 5.000 4.350 -0.002 0.000 0.312 1005 T C -0.837 173.577 174.700 -0.476 0.000 1.078 1005 T CA -0.232 61.422 62.100 -0.743 0.000 1.028 1005 T CB 1.300 69.752 68.868 -0.694 0.000 1.091 1005 T HN 0.391 nan 8.240 nan 0.000 0.457 1006 I N 3.143 123.382 120.570 -0.551 0.000 2.447 1006 I HA 0.539 4.708 4.170 -0.002 0.000 0.287 1006 I C 0.309 175.994 176.117 -0.720 0.000 1.023 1006 I CA -0.678 60.234 61.300 -0.647 0.000 1.083 1006 I CB 2.163 39.590 38.000 -0.956 0.000 1.245 1006 I HN 0.715 nan 8.210 nan 0.000 0.434 1007 T N 1.896 116.132 114.554 -0.530 0.000 2.908 1007 T HA 0.588 4.937 4.350 -0.002 0.000 0.290 1007 T C -0.731 173.744 174.700 -0.376 0.000 1.034 1007 T CA -0.936 60.895 62.100 -0.448 0.000 1.010 1007 T CB 1.875 70.586 68.868 -0.261 0.000 1.068 1007 T HN 0.533 nan 8.240 nan 0.000 0.481 1008 N N 2.360 120.899 118.700 -0.268 0.000 2.397 1008 N HA 0.362 5.101 4.740 -0.002 0.000 0.291 1008 N C -1.354 174.178 175.510 0.037 0.000 1.065 1008 N CA -0.719 52.287 53.050 -0.072 0.000 0.884 1008 N CB 2.353 40.879 38.487 0.065 0.000 1.551 1008 N HN 0.853 nan 8.380 nan 0.000 0.487 1009 N N 0.041 118.764 118.700 0.038 0.000 2.890 1009 N HA 0.310 5.049 4.740 -0.002 0.000 0.317 1009 N C 1.026 176.578 175.510 0.070 0.000 1.355 1009 N CA -0.823 52.258 53.050 0.052 0.000 0.803 1009 N CB 0.256 38.754 38.487 0.017 0.000 1.465 1009 N HN 0.237 nan 8.380 nan 0.000 0.591 1010 L N -2.720 118.540 121.223 0.060 0.000 2.349 1010 L HA 0.107 4.446 4.340 -0.002 0.000 0.220 1010 L C 0.407 177.307 176.870 0.049 0.000 1.130 1010 L CA 1.419 56.295 54.840 0.059 0.000 0.791 1010 L CB -1.615 40.470 42.059 0.043 0.000 0.918 1010 L HN 0.658 nan 8.230 nan 0.000 0.444 1011 N N -1.520 117.202 118.700 0.036 0.000 2.166 1011 N HA 0.160 4.899 4.740 -0.002 0.000 0.213 1011 N C -0.479 175.044 175.510 0.021 0.000 1.222 1011 N CA -0.161 52.905 53.050 0.027 0.000 0.900 1011 N CB 0.500 38.995 38.487 0.014 0.000 1.055 1011 N HN 0.310 nan 8.380 nan 0.000 0.515 1012 N N 0.441 119.153 118.700 0.019 0.000 2.331 1012 N HA 0.401 5.140 4.740 -0.002 0.000 0.280 1012 N C -1.629 173.877 175.510 -0.008 0.000 1.155 1012 N CA -0.413 52.637 53.050 -0.000 0.000 0.822 1012 N CB 2.157 40.626 38.487 -0.030 0.000 1.619 1012 N HN -0.087 nan 8.380 nan 0.000 0.476 1013 A N 1.360 124.169 122.820 -0.018 0.000 2.291 1013 A HA 0.602 4.921 4.320 -0.002 0.000 0.311 1013 A C -0.492 177.011 177.584 -0.135 0.000 1.224 1013 A CA -0.556 51.443 52.037 -0.064 0.000 0.821 1013 A CB 0.603 19.650 19.000 0.078 0.000 1.172 1013 A HN 0.495 nan 8.150 nan 0.000 0.494 1014 K N 2.301 122.578 120.400 -0.205 0.000 2.324 1014 K HA 0.653 4.972 4.320 -0.002 0.000 0.253 1014 K C -1.222 175.193 176.600 -0.308 0.000 0.932 1014 K CA -0.394 55.734 56.287 -0.265 0.000 0.799 1014 K CB 2.437 34.771 32.500 -0.277 0.000 1.154 1014 K HN 0.648 nan 8.250 nan 0.000 0.425 1015 I N 3.304 123.658 120.570 -0.360 0.000 2.378 1015 I HA 0.292 4.461 4.170 -0.002 0.000 0.291 1015 I C -0.998 174.856 176.117 -0.437 0.000 0.992 1015 I CA -0.900 60.221 61.300 -0.299 0.000 1.154 1015 I CB 0.718 38.620 38.000 -0.165 0.000 1.315 1015 I HN 0.447 nan 8.210 nan 0.000 0.448 1016 Y N 6.156 126.231 120.300 -0.374 0.000 2.377 1016 Y HA 0.540 5.089 4.550 -0.002 0.000 0.339 1016 Y C -0.021 175.590 175.900 -0.481 0.000 1.011 1016 Y CA -0.923 56.942 58.100 -0.392 0.000 1.093 1016 Y CB 1.668 39.910 38.460 -0.364 0.000 1.201 1016 Y HN 0.241 nan 8.280 nan 0.000 0.455 1017 I N 3.369 123.715 120.570 -0.374 0.000 2.466 1017 I HA 0.203 4.372 4.170 -0.002 0.000 0.289 1017 I C -0.229 175.679 176.117 -0.348 0.000 1.026 1017 I CA -1.106 59.919 61.300 -0.458 0.000 1.078 1017 I CB 1.404 38.837 38.000 -0.945 0.000 1.249 1017 I HN 0.719 nan 8.210 nan 0.000 0.429 1018 N N 5.117 123.628 118.700 -0.315 0.000 2.716 1018 N HA -0.227 4.512 4.740 -0.002 0.000 0.250 1018 N C 1.190 176.181 175.510 -0.866 0.000 1.033 1018 N CA 1.358 53.952 53.050 -0.760 0.000 0.727 1018 N CB -0.829 37.353 38.487 -0.508 0.000 0.950 1018 N HN 1.156 nan 8.380 nan 0.000 0.541 1019 G N -1.227 107.325 108.800 -0.413 0.000 2.383 1019 G HA2 -0.395 3.563 3.960 -0.002 0.000 0.229 1019 G HA3 -0.395 3.563 3.960 -0.002 0.000 0.229 1019 G C 0.167 175.033 174.900 -0.057 0.000 1.089 1019 G CA 0.798 45.772 45.100 -0.209 0.000 0.640 1019 G HN 0.699 nan 8.290 nan 0.000 0.510 1020 K N 0.601 120.931 120.400 -0.118 0.000 2.202 1020 K HA 0.599 4.918 4.320 -0.002 0.000 0.264 1020 K C 0.034 176.566 176.600 -0.114 0.000 1.010 1020 K CA -0.767 55.475 56.287 -0.075 0.000 0.940 1020 K CB 0.727 33.158 32.500 -0.116 0.000 0.983 1020 K HN 0.354 nan 8.250 nan 0.000 0.475 1021 L N 3.497 124.597 121.223 -0.205 0.000 2.290 1021 L HA 0.170 4.509 4.340 -0.002 0.000 0.284 1021 L C 0.380 177.027 176.870 -0.372 0.000 1.078 1021 L CA 0.578 55.091 54.840 -0.545 0.000 0.815 1021 L CB 1.048 42.750 42.059 -0.596 0.000 1.162 1021 L HN 0.787 nan 8.230 nan 0.000 0.435 1022 E N 2.171 122.133 120.200 -0.397 0.000 2.364 1022 E HA 0.254 4.603 4.350 -0.002 0.000 0.203 1022 E C -0.283 176.204 176.600 -0.189 0.000 0.888 1022 E CA 0.263 56.521 56.400 -0.236 0.000 0.989 1022 E CB 0.621 30.180 29.700 -0.236 0.000 0.985 1022 E HN 0.667 nan 8.360 nan 0.000 0.499 1023 S N 0.502 116.045 115.700 -0.261 0.000 2.556 1023 S HA 0.469 4.938 4.470 -0.002 0.000 0.271 1023 S C -0.727 173.714 174.600 -0.264 0.000 1.135 1023 S CA -0.877 57.177 58.200 -0.243 0.000 0.858 1023 S CB 2.441 65.495 63.200 -0.243 0.000 1.114 1023 S HN 0.001 nan 8.310 nan 0.000 0.468 1024 N N 0.278 118.845 118.700 -0.221 0.000 2.405 1024 N HA 0.724 5.463 4.740 -0.002 0.000 0.285 1024 N C -1.801 173.628 175.510 -0.135 0.000 1.262 1024 N CA -0.268 52.675 53.050 -0.179 0.000 0.773 1024 N CB 2.375 40.769 38.487 -0.156 0.000 1.490 1024 N HN 0.639 nan 8.380 nan 0.000 0.486 1025 T N 0.394 114.896 114.554 -0.086 0.000 3.291 1025 T HA 0.096 4.445 4.350 -0.002 0.000 0.344 1025 T C -1.598 173.097 174.700 -0.009 0.000 1.293 1025 T CA -0.717 61.358 62.100 -0.041 0.000 1.108 1025 T CB 1.584 70.446 68.868 -0.009 0.000 1.231 1025 T HN 0.392 nan 8.240 nan 0.000 0.474 1026 D N 2.793 123.191 120.400 -0.002 0.000 2.383 1026 D HA 0.203 4.842 4.640 -0.002 0.000 0.252 1026 D C 0.655 176.976 176.300 0.035 0.000 1.166 1026 D CA -0.386 53.621 54.000 0.011 0.000 0.879 1026 D CB 0.598 41.401 40.800 0.005 0.000 1.164 1026 D HN 0.667 nan 8.370 nan 0.000 0.462 1027 I N 0.389 120.987 120.570 0.047 0.000 3.491 1027 I HA 0.221 4.390 4.170 -0.002 0.000 0.332 1027 I C 0.984 177.138 176.117 0.061 0.000 1.565 1027 I CA -0.759 60.584 61.300 0.070 0.000 1.050 1027 I CB 0.511 38.577 38.000 0.110 0.000 1.348 1027 I HN 0.048 nan 8.210 nan 0.000 0.506 1028 K N 1.194 121.620 120.400 0.042 0.000 2.031 1028 K HA -0.133 4.186 4.320 -0.002 0.000 0.205 1028 K C 1.563 178.184 176.600 0.034 0.000 1.049 1028 K CA 1.755 58.063 56.287 0.035 0.000 0.939 1028 K CB -0.172 32.342 32.500 0.023 0.000 0.717 1028 K HN 0.333 nan 8.250 nan 0.000 0.438 1029 D N 1.153 121.572 120.400 0.031 0.000 2.190 1029 D HA -0.159 4.480 4.640 -0.002 0.000 0.200 1029 D C 0.432 176.752 176.300 0.033 0.000 0.992 1029 D CA 0.595 54.612 54.000 0.028 0.000 0.854 1029 D CB -0.022 40.793 40.800 0.026 0.000 0.936 1029 D HN -0.066 nan 8.370 nan 0.000 0.462 1030 I N 1.145 121.743 120.570 0.046 0.000 2.752 1030 I HA 0.028 4.197 4.170 -0.002 0.000 0.289 1030 I C 1.715 177.859 176.117 0.046 0.000 1.197 1030 I CA 0.355 61.688 61.300 0.054 0.000 1.432 1030 I CB -0.220 37.829 38.000 0.083 0.000 1.359 1030 I HN 0.084 nan 8.210 nan 0.000 0.571 1031 R N 6.294 126.816 120.500 0.036 0.000 2.502 1031 R HA 0.233 4.572 4.340 -0.002 0.000 0.188 1031 R C 0.481 176.798 176.300 0.027 0.000 1.063 1031 R CA -0.218 55.897 56.100 0.025 0.000 1.174 1031 R CB -0.202 30.107 30.300 0.014 0.000 1.531 1031 R HN 0.749 nan 8.270 nan 0.000 0.525 1032 E N 0.354 120.561 120.200 0.011 0.000 2.360 1032 E HA 0.355 4.704 4.350 -0.002 0.000 0.269 1032 E C -1.233 175.366 176.600 -0.002 0.000 1.022 1032 E CA -0.247 56.152 56.400 -0.002 0.000 0.887 1032 E CB 1.038 30.726 29.700 -0.020 0.000 0.990 1032 E HN 0.274 nan 8.360 nan 0.000 0.426 1033 V N 7.108 127.018 119.914 -0.005 0.000 2.304 1033 V HA 0.223 4.342 4.120 -0.002 0.000 0.278 1033 V C 0.137 176.192 176.094 -0.066 0.000 1.018 1033 V CA -0.603 61.701 62.300 0.006 0.000 0.814 1033 V CB 0.894 32.772 31.823 0.092 0.000 1.021 1033 V HN 0.674 nan 8.190 nan 0.000 0.440 1034 I N 4.296 124.822 120.570 -0.073 0.000 2.578 1034 I HA 0.190 4.359 4.170 -0.002 0.000 0.286 1034 I C 1.031 177.083 176.117 -0.109 0.000 1.126 1034 I CA 0.522 61.746 61.300 -0.125 0.000 1.380 1034 I CB 0.704 38.651 38.000 -0.089 0.000 1.408 1034 I HN 0.702 nan 8.210 nan 0.000 0.532 1035 A N 6.526 129.203 122.820 -0.237 0.000 2.749 1035 A HA 0.193 4.511 4.320 -0.002 0.000 0.299 1035 A C 0.715 178.324 177.584 0.040 0.000 1.105 1035 A CA -0.533 51.494 52.037 -0.016 0.000 0.987 1035 A CB -0.348 18.716 19.000 0.108 0.000 1.180 1035 A HN 0.813 nan 8.150 nan 0.000 0.528 1036 N N -0.210 118.459 118.700 -0.052 0.000 2.238 1036 N HA 0.112 4.851 4.740 -0.002 0.000 0.235 1036 N C 0.580 176.137 175.510 0.079 0.000 1.209 1036 N CA 0.371 53.478 53.050 0.095 0.000 0.879 1036 N CB 0.629 39.117 38.487 0.001 0.000 1.136 1036 N HN 0.218 nan 8.380 nan 0.000 0.517 1037 G N 0.528 109.346 108.800 0.030 0.000 2.588 1037 G HA2 0.101 4.059 3.960 -0.002 0.000 0.278 1037 G HA3 0.101 4.059 3.960 -0.002 0.000 0.278 1037 G C -0.358 174.551 174.900 0.014 0.000 1.307 1037 G CA -0.389 44.708 45.100 -0.006 0.000 1.016 1037 G HN 0.262 nan 8.290 nan 0.000 0.503 1038 E N -1.243 118.951 120.200 -0.010 0.000 2.398 1038 E HA 0.172 4.521 4.350 -0.002 0.000 0.263 1038 E C -0.234 176.339 176.600 -0.046 0.000 1.046 1038 E CA 0.130 56.534 56.400 0.006 0.000 0.908 1038 E CB 0.557 30.257 29.700 0.000 0.000 0.963 1038 E HN 0.177 nan 8.360 nan 0.000 0.431 1039 I N 4.896 125.469 120.570 0.005 0.000 2.339 1039 I HA 0.212 4.381 4.170 -0.002 0.000 0.290 1039 I C -0.525 175.564 176.117 -0.045 0.000 0.994 1039 I CA -0.688 60.557 61.300 -0.092 0.000 1.191 1039 I CB 1.014 39.051 38.000 0.062 0.000 1.343 1039 I HN 0.305 nan 8.210 nan 0.000 0.458 1040 I N 6.975 127.439 120.570 -0.178 0.000 2.330 1040 I HA 0.291 4.460 4.170 -0.002 0.000 0.289 1040 I C -0.513 175.518 176.117 -0.144 0.000 1.001 1040 I CA -0.432 60.826 61.300 -0.070 0.000 1.193 1040 I CB 0.768 38.717 38.000 -0.085 0.000 1.345 1040 I HN 0.308 nan 8.210 nan 0.000 0.461 1041 F N 6.345 126.252 119.950 -0.073 0.000 2.391 1041 F HA 0.558 5.084 4.527 -0.002 0.000 0.359 1041 F C 0.505 176.294 175.800 -0.019 0.000 1.122 1041 F CA -0.308 57.656 58.000 -0.060 0.000 1.120 1041 F CB 0.868 39.815 39.000 -0.088 0.000 1.142 1041 F HN 0.383 nan 8.300 nan 0.000 0.483 1042 K N 3.604 124.081 120.400 0.129 0.000 2.740 1042 K HA 0.294 4.613 4.320 -0.002 0.000 0.279 1042 K C -2.005 174.648 176.600 0.088 0.000 1.038 1042 K CA -0.711 55.634 56.287 0.096 0.000 0.887 1042 K CB 1.124 33.650 32.500 0.042 0.000 1.411 1042 K HN 0.544 nan 8.250 nan 0.000 0.381 1043 L N 3.393 124.675 121.223 0.098 0.000 2.407 1043 L HA 0.245 4.584 4.340 -0.002 0.000 0.282 1043 L C -0.375 176.538 176.870 0.072 0.000 1.110 1043 L CA -0.172 54.747 54.840 0.132 0.000 0.863 1043 L CB 0.234 42.336 42.059 0.071 0.000 1.207 1043 L HN 0.560 nan 8.230 nan 0.000 0.454 1044 D N 3.028 123.487 120.400 0.097 0.000 2.481 1044 D HA 0.721 5.359 4.640 -0.002 0.000 0.246 1044 D C -0.047 176.298 176.300 0.075 0.000 1.109 1044 D CA 0.002 54.029 54.000 0.045 0.000 0.845 1044 D CB 1.669 42.473 40.800 0.006 0.000 1.160 1044 D HN 0.663 nan 8.370 nan 0.000 0.534 1045 G N 2.664 111.489 108.800 0.042 0.000 2.351 1045 G HA2 0.121 4.080 3.960 -0.002 0.000 0.279 1045 G HA3 0.121 4.080 3.960 -0.002 0.000 0.279 1045 G C -1.318 173.585 174.900 0.005 0.000 1.297 1045 G CA -0.888 44.242 45.100 0.049 0.000 0.886 1045 G HN 0.368 nan 8.290 nan 0.000 0.493 1046 D N 0.950 121.354 120.400 0.007 0.000 2.767 1046 D HA 0.429 5.068 4.640 -0.002 0.000 0.241 1046 D C 1.203 177.468 176.300 -0.059 0.000 1.187 1046 D CA -0.327 53.663 54.000 -0.018 0.000 0.999 1046 D CB -0.524 40.280 40.800 0.007 0.000 1.042 1046 D HN 0.608 nan 8.370 nan 0.000 0.510 1047 I N -2.411 118.081 120.570 -0.130 0.000 2.886 1047 I HA 0.404 4.573 4.170 -0.002 0.000 0.299 1047 I C 0.442 176.471 176.117 -0.146 0.000 1.044 1047 I CA -0.865 60.290 61.300 -0.243 0.000 1.310 1047 I CB 0.942 38.699 38.000 -0.404 0.000 1.441 1047 I HN -0.065 nan 8.210 nan 0.000 0.578 1048 D N 2.273 122.587 120.400 -0.144 0.000 2.264 1048 D HA 0.159 4.798 4.640 -0.002 0.000 0.249 1048 D C 0.933 177.194 176.300 -0.065 0.000 1.070 1048 D CA -0.303 53.652 54.000 -0.075 0.000 0.912 1048 D CB 1.444 42.215 40.800 -0.047 0.000 1.193 1048 D HN 0.575 nan 8.370 nan 0.000 0.427 1049 R N 0.665 121.144 120.500 -0.036 0.000 2.139 1049 R HA -0.142 4.197 4.340 -0.002 0.000 0.243 1049 R C 1.776 178.077 176.300 0.003 0.000 1.145 1049 R CA 1.865 57.953 56.100 -0.020 0.000 0.976 1049 R CB -0.371 29.923 30.300 -0.010 0.000 0.866 1049 R HN 0.557 nan 8.270 nan 0.000 0.449 1050 T N -2.371 112.191 114.554 0.013 0.000 3.113 1050 T HA -0.021 4.328 4.350 -0.002 0.000 0.256 1050 T C 0.790 175.546 174.700 0.093 0.000 1.131 1050 T CA -0.159 61.981 62.100 0.066 0.000 1.074 1050 T CB 0.130 69.032 68.868 0.056 0.000 0.944 1050 T HN -0.024 nan 8.240 nan 0.000 0.516 1051 Q N 1.823 121.616 119.800 -0.012 0.000 2.337 1051 Q HA 0.481 4.820 4.340 -0.002 0.000 0.270 1051 Q C -0.648 175.371 176.000 0.032 0.000 1.002 1051 Q CA -0.235 55.508 55.803 -0.099 0.000 0.888 1051 Q CB 0.024 28.615 28.738 -0.245 0.000 1.222 1051 Q HN 0.611 nan 8.270 nan 0.000 0.400 1052 F N 1.631 121.553 119.950 -0.047 0.000 2.713 1052 F HA 0.761 5.286 4.527 -0.002 0.000 0.311 1052 F C -1.673 174.115 175.800 -0.020 0.000 1.141 1052 F CA -1.284 56.675 58.000 -0.069 0.000 0.939 1052 F CB 1.166 40.092 39.000 -0.124 0.000 1.325 1052 F HN 0.310 nan 8.300 nan 0.000 0.453 1053 I N 1.183 121.875 120.570 0.203 0.000 2.752 1053 I HA 0.241 4.410 4.170 -0.002 0.000 0.295 1053 I C -1.887 174.267 176.117 0.062 0.000 1.219 1053 I CA -0.842 60.545 61.300 0.145 0.000 1.030 1053 I CB 2.202 40.297 38.000 0.158 0.000 1.259 1053 I HN 0.853 nan 8.210 nan 0.000 0.423 1054 W N 6.051 127.394 121.300 0.071 0.000 2.529 1054 W HA 0.676 5.335 4.660 -0.002 0.000 0.321 1054 W C -0.046 176.486 176.519 0.021 0.000 1.047 1054 W CA -0.339 57.006 57.345 -0.001 0.000 1.216 1054 W CB 1.701 31.030 29.460 -0.217 0.000 1.357 1054 W HN 0.140 nan 8.180 nan 0.000 0.489 1055 M N 2.889 122.570 119.600 0.135 0.000 2.619 1055 M HA 0.494 4.973 4.480 -0.002 0.000 0.297 1055 M C -0.652 175.588 176.300 -0.100 0.000 1.229 1055 M CA -1.018 54.278 55.300 -0.007 0.000 0.860 1055 M CB 2.939 35.249 32.600 -0.484 0.000 1.741 1055 M HN 0.391 nan 8.290 nan 0.000 0.462 1056 K N 0.276 120.791 120.400 0.193 0.000 2.556 1056 K HA 0.353 4.672 4.320 -0.002 0.000 0.274 1056 K C -1.266 175.611 176.600 0.461 0.000 0.966 1056 K CA -0.526 55.817 56.287 0.093 0.000 0.865 1056 K CB 1.573 33.847 32.500 -0.377 0.000 1.444 1056 K HN 0.753 nan 8.250 nan 0.000 0.433 1057 Y N 0.670 121.201 120.300 0.384 0.000 3.054 1057 Y HA -0.296 4.253 4.550 -0.002 0.000 0.210 1057 Y C -0.391 175.831 175.900 0.536 0.000 1.212 1057 Y CA -0.108 58.254 58.100 0.438 0.000 1.118 1057 Y CB -1.187 37.555 38.460 0.470 0.000 1.292 1057 Y HN 0.403 nan 8.280 nan 0.000 0.533 1058 F N 2.193 122.505 119.950 0.602 0.000 2.456 1058 F HA 0.434 4.960 4.527 -0.002 0.000 0.358 1058 F C 0.480 176.552 175.800 0.453 0.000 1.095 1058 F CA 0.238 58.592 58.000 0.590 0.000 1.216 1058 F CB 0.651 40.024 39.000 0.621 0.000 1.125 1058 F HN 0.080 nan 8.300 nan 0.000 0.549 1059 S N 5.690 121.188 115.700 -0.338 0.000 2.565 1059 S HA 0.760 5.229 4.470 -0.002 0.000 0.269 1059 S C -1.187 173.220 174.600 -0.322 0.000 1.153 1059 S CA -1.021 57.058 58.200 -0.202 0.000 0.835 1059 S CB 1.544 64.687 63.200 -0.094 0.000 1.122 1059 S HN 0.563 nan 8.310 nan 0.000 0.462 1060 I N 1.268 121.691 120.570 -0.244 0.000 2.582 1060 I HA 0.542 4.711 4.170 -0.002 0.000 0.292 1060 I C -1.603 174.341 176.117 -0.288 0.000 1.066 1060 I CA -0.631 60.581 61.300 -0.147 0.000 1.053 1060 I CB 1.745 39.752 38.000 0.012 0.000 1.241 1060 I HN 0.551 nan 8.210 nan 0.000 0.421 1061 F N 3.004 122.866 119.950 -0.145 0.000 2.480 1061 F HA 0.317 4.842 4.527 -0.002 0.000 0.329 1061 F C 0.578 176.303 175.800 -0.126 0.000 1.091 1061 F CA -1.114 56.814 58.000 -0.120 0.000 0.972 1061 F CB 1.129 40.053 39.000 -0.126 0.000 1.150 1061 F HN 0.451 nan 8.300 nan 0.000 0.467 1062 N N 0.327 119.045 118.700 0.030 0.000 3.052 1062 N HA 0.257 4.996 4.740 -0.002 0.000 0.302 1062 N C -0.513 175.055 175.510 0.097 0.000 1.332 1062 N CA -0.126 52.907 53.050 -0.027 0.000 1.129 1062 N CB 0.682 39.103 38.487 -0.110 0.000 1.436 1062 N HN 0.614 nan 8.380 nan 0.000 0.536 1063 T N -1.601 113.024 114.554 0.117 0.000 2.907 1063 T HA 0.100 4.449 4.350 -0.002 0.000 0.344 1063 T C -2.049 172.643 174.700 -0.012 0.000 1.675 1063 T CA -0.867 61.274 62.100 0.069 0.000 1.076 1063 T CB 0.976 69.869 68.868 0.042 0.000 1.483 1063 T HN 0.364 nan 8.240 nan 0.000 0.487 1064 E N 3.650 123.822 120.200 -0.045 0.000 2.257 1064 E HA 0.367 4.716 4.350 -0.002 0.000 0.278 1064 E C -0.352 176.125 176.600 -0.206 0.000 1.049 1064 E CA -0.409 55.911 56.400 -0.132 0.000 0.876 1064 E CB 0.395 30.042 29.700 -0.088 0.000 1.035 1064 E HN 0.505 nan 8.360 nan 0.000 0.419 1065 L N 3.813 124.834 121.223 -0.337 0.000 2.397 1065 L HA 0.138 4.477 4.340 -0.002 0.000 0.271 1065 L C 0.703 177.355 176.870 -0.363 0.000 1.148 1065 L CA -0.410 54.177 54.840 -0.421 0.000 0.825 1065 L CB 1.158 42.840 42.059 -0.627 0.000 1.117 1065 L HN 0.644 nan 8.230 nan 0.000 0.456 1066 S N 1.144 116.661 115.700 -0.304 0.000 2.672 1066 S HA 0.082 4.551 4.470 -0.002 0.000 0.276 1066 S C 0.639 175.047 174.600 -0.319 0.000 1.207 1066 S CA -0.691 57.363 58.200 -0.244 0.000 1.002 1066 S CB 1.685 64.791 63.200 -0.158 0.000 0.998 1066 S HN 0.664 nan 8.310 nan 0.000 0.542 1067 Q N 0.951 120.610 119.800 -0.235 0.000 2.197 1067 Q HA -0.149 4.190 4.340 -0.002 0.000 0.207 1067 Q C 2.006 177.901 176.000 -0.175 0.000 0.984 1067 Q CA 2.123 57.798 55.803 -0.213 0.000 0.869 1067 Q CB -0.730 28.003 28.738 -0.007 0.000 0.906 1067 Q HN 0.831 nan 8.270 nan 0.000 0.426 1068 S N 0.421 116.037 115.700 -0.140 0.000 2.345 1068 S HA -0.086 4.383 4.470 -0.002 0.000 0.219 1068 S C 1.547 176.070 174.600 -0.129 0.000 1.031 1068 S CA 1.133 59.268 58.200 -0.108 0.000 0.984 1068 S CB -0.105 63.044 63.200 -0.086 0.000 0.874 1068 S HN 0.474 nan 8.310 nan 0.000 0.451 1069 N N 1.633 120.229 118.700 -0.174 0.000 2.205 1069 N HA -0.017 4.722 4.740 -0.002 0.000 0.186 1069 N C 1.730 177.118 175.510 -0.203 0.000 1.015 1069 N CA 1.351 54.285 53.050 -0.194 0.000 0.862 1069 N CB -0.497 37.832 38.487 -0.263 0.000 0.986 1069 N HN 0.516 nan 8.380 nan 0.000 0.429 1070 I N 0.672 121.088 120.570 -0.258 0.000 2.193 1070 I HA -0.186 3.983 4.170 -0.002 0.000 0.240 1070 I C 2.377 178.462 176.117 -0.054 0.000 1.084 1070 I CA 0.910 62.080 61.300 -0.216 0.000 1.365 1070 I CB -0.261 37.449 38.000 -0.483 0.000 1.064 1070 I HN 0.022 nan 8.210 nan 0.000 0.410 1071 E N 1.548 121.707 120.200 -0.068 0.000 2.118 1071 E HA -0.293 4.056 4.350 -0.002 0.000 0.195 1071 E C 1.976 178.602 176.600 0.044 0.000 0.992 1071 E CA 1.689 58.103 56.400 0.022 0.000 0.804 1071 E CB -0.131 29.569 29.700 -0.000 0.000 0.741 1071 E HN 0.429 nan 8.360 nan 0.000 0.458 1072 E N -0.368 119.819 120.200 -0.021 0.000 2.072 1072 E HA -0.163 4.186 4.350 -0.002 0.000 0.190 1072 E C 2.230 178.804 176.600 -0.044 0.000 0.982 1072 E CA 0.720 57.100 56.400 -0.034 0.000 0.803 1072 E CB -0.064 29.602 29.700 -0.056 0.000 0.755 1072 E HN 0.147 nan 8.360 nan 0.000 0.453 1073 R N -0.567 119.903 120.500 -0.049 0.000 2.081 1073 R HA -0.201 4.138 4.340 -0.002 0.000 0.235 1073 R C 2.324 178.498 176.300 -0.210 0.000 1.131 1073 R CA 1.569 57.624 56.100 -0.074 0.000 0.960 1073 R CB -0.379 29.927 30.300 0.009 0.000 0.856 1073 R HN 0.247 nan 8.270 nan 0.000 0.436 1074 Y N 1.448 121.516 120.300 -0.387 0.000 2.128 1074 Y HA -0.236 4.313 4.550 -0.002 0.000 0.284 1074 Y C 1.671 177.499 175.900 -0.120 0.000 1.154 1074 Y CA 1.861 59.677 58.100 -0.474 0.000 1.149 1074 Y CB -0.038 38.294 38.460 -0.212 0.000 0.976 1074 Y HN -0.033 nan 8.280 nan 0.000 0.505 1075 K N -0.197 120.125 120.400 -0.130 0.000 2.097 1075 K HA -0.108 4.210 4.320 -0.002 0.000 0.205 1075 K C 2.124 178.660 176.600 -0.107 0.000 1.050 1075 K CA 1.660 57.849 56.287 -0.163 0.000 0.938 1075 K CB -0.216 32.251 32.500 -0.054 0.000 0.718 1075 K HN 0.370 nan 8.250 nan 0.000 0.442 1076 I N 1.377 121.896 120.570 -0.085 0.000 2.202 1076 I HA -0.296 3.873 4.170 -0.002 0.000 0.242 1076 I C 2.282 178.382 176.117 -0.029 0.000 1.091 1076 I CA 1.461 62.724 61.300 -0.062 0.000 1.368 1076 I CB -0.202 37.753 38.000 -0.075 0.000 1.058 1076 I HN 0.212 nan 8.210 nan 0.000 0.410 1077 Q N -0.075 119.717 119.800 -0.014 0.000 2.311 1077 Q HA -0.076 4.263 4.340 -0.002 0.000 0.203 1077 Q C 2.298 178.254 176.000 -0.073 0.000 0.954 1077 Q CA 1.112 56.955 55.803 0.068 0.000 0.885 1077 Q CB 0.043 29.000 28.738 0.365 0.000 0.963 1077 Q HN 0.398 nan 8.270 nan 0.000 0.471 1078 S N 0.132 115.778 115.700 -0.090 0.000 2.428 1078 S HA -0.093 4.376 4.470 -0.002 0.000 0.230 1078 S C 0.344 174.821 174.600 -0.205 0.000 1.014 1078 S CA 0.190 58.261 58.200 -0.215 0.000 0.957 1078 S CB -0.190 62.828 63.200 -0.303 0.000 0.784 1078 S HN 0.372 nan 8.310 nan 0.000 0.499 1079 Y N 3.508 123.675 120.300 -0.221 0.000 2.610 1079 Y HA 0.277 4.826 4.550 -0.002 0.000 0.332 1079 Y C 0.366 176.088 175.900 -0.296 0.000 1.201 1079 Y CA -0.037 57.927 58.100 -0.226 0.000 1.465 1079 Y CB 0.320 38.669 38.460 -0.184 0.000 1.283 1079 Y HN 0.161 nan 8.280 nan 0.000 0.563 1080 S N 3.299 118.156 115.700 -1.404 0.000 2.588 1080 S HA 0.303 4.772 4.470 -0.002 0.000 0.269 1080 S C -0.325 173.503 174.600 -1.287 0.000 1.157 1080 S CA -1.002 56.446 58.200 -1.253 0.000 0.824 1080 S CB 1.604 63.910 63.200 -1.491 0.000 1.126 1080 S HN 0.660 nan 8.310 nan 0.000 0.464 1081 E N -0.080 119.596 120.200 -0.873 0.000 2.435 1081 E HA 0.108 4.456 4.350 -0.002 0.000 0.195 1081 E C 0.022 176.417 176.600 -0.342 0.000 1.029 1081 E CA 0.700 56.830 56.400 -0.449 0.000 0.865 1081 E CB -0.146 29.443 29.700 -0.184 0.000 0.833 1081 E HN 0.744 nan 8.360 nan 0.000 0.510 1082 Y N -1.121 119.041 120.300 -0.231 0.000 2.631 1082 Y HA 0.603 5.152 4.550 -0.002 0.000 0.328 1082 Y C 0.268 176.042 175.900 -0.210 0.000 1.118 1082 Y CA -1.576 56.410 58.100 -0.189 0.000 1.206 1082 Y CB 0.081 38.449 38.460 -0.153 0.000 1.337 1082 Y HN -0.331 nan 8.280 nan 0.000 0.515 1083 L N 1.395 122.685 121.223 0.112 0.000 2.454 1083 L HA 0.512 4.851 4.340 -0.002 0.000 0.256 1083 L C -0.115 176.796 176.870 0.070 0.000 1.136 1083 L CA -0.845 54.008 54.840 0.021 0.000 0.804 1083 L CB 0.875 42.899 42.059 -0.059 0.000 1.181 1083 L HN 0.656 nan 8.230 nan 0.000 0.469 1084 K N -0.272 120.135 120.400 0.012 0.000 2.350 1084 K HA 0.415 4.734 4.320 -0.002 0.000 0.241 1084 K C -1.439 175.101 176.600 -0.101 0.000 0.994 1084 K CA -0.961 55.287 56.287 -0.065 0.000 0.839 1084 K CB 1.768 34.198 32.500 -0.116 0.000 1.244 1084 K HN 0.592 nan 8.250 nan 0.000 0.443 1085 D N -0.440 119.868 120.400 -0.152 0.000 2.478 1085 D HA 0.048 4.687 4.640 -0.002 0.000 0.263 1085 D C 0.782 176.990 176.300 -0.153 0.000 1.153 1085 D CA -0.638 53.287 54.000 -0.125 0.000 1.038 1085 D CB 0.223 40.975 40.800 -0.080 0.000 1.120 1085 D HN 0.438 nan 8.370 nan 0.000 0.564 1086 F N -0.523 119.224 119.950 -0.339 0.000 2.147 1086 F HA -0.152 4.373 4.527 -0.002 0.000 0.301 1086 F C 1.393 176.914 175.800 -0.465 0.000 1.084 1086 F CA 1.492 59.189 58.000 -0.504 0.000 1.268 1086 F CB -0.092 38.362 39.000 -0.910 0.000 1.009 1086 F HN 0.409 nan 8.300 nan 0.000 0.486 1087 W N -0.547 120.796 121.300 0.072 0.000 2.678 1087 W HA 0.256 4.915 4.660 -0.002 0.000 0.256 1087 W C 1.850 178.277 176.519 -0.154 0.000 1.280 1087 W CA 0.580 57.931 57.345 0.010 0.000 1.345 1087 W CB -0.282 29.216 29.460 0.064 0.000 1.118 1087 W HN 0.198 nan 8.180 nan 0.000 0.629 1088 G N -0.254 108.293 108.800 -0.421 0.000 2.168 1088 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.197 1088 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.197 1088 G C -0.034 174.720 174.900 -0.243 0.000 0.997 1088 G CA -0.600 43.969 45.100 -0.885 0.000 0.658 1088 G HN 0.122 nan 8.290 nan 0.000 0.513 1089 N N 1.098 119.768 118.700 -0.049 0.000 2.476 1089 N HA 0.508 5.246 4.740 -0.002 0.000 0.275 1089 N C -2.731 172.682 175.510 -0.161 0.000 1.190 1089 N CA -1.477 51.541 53.050 -0.052 0.000 0.977 1089 N CB 0.950 39.464 38.487 0.046 0.000 1.200 1089 N HN -0.025 nan 8.380 nan 0.000 0.515 1090 P HA -0.047 nan 4.420 nan 0.000 0.261 1090 P C -0.003 177.139 177.300 -0.264 0.000 1.173 1090 P CA -0.146 62.640 63.100 -0.523 0.000 0.760 1090 P CB 0.404 31.598 31.700 -0.843 0.000 0.783 1091 L N 4.652 125.740 121.223 -0.224 0.000 2.439 1091 L HA 0.285 4.624 4.340 -0.002 0.000 0.269 1091 L C -0.091 176.692 176.870 -0.145 0.000 1.179 1091 L CA 1.001 55.733 54.840 -0.181 0.000 0.828 1091 L CB -0.099 41.799 42.059 -0.268 0.000 1.106 1091 L HN 0.298 nan 8.230 nan 0.000 0.467 1092 M N 3.554 123.156 119.600 0.003 0.000 2.572 1092 M HA 0.304 4.782 4.480 -0.002 0.000 0.299 1092 M C -0.946 175.312 176.300 -0.070 0.000 1.205 1092 M CA -0.458 54.826 55.300 -0.027 0.000 0.876 1092 M CB 1.745 34.360 32.600 0.025 0.000 1.728 1092 M HN 0.393 nan 8.290 nan 0.000 0.458 1093 Y N 1.140 121.431 120.300 -0.015 0.000 2.298 1093 Y HA 0.205 4.754 4.550 -0.002 0.000 0.329 1093 Y C 0.867 176.751 175.900 -0.027 0.000 1.293 1093 Y CA 0.287 58.375 58.100 -0.019 0.000 1.388 1093 Y CB 0.564 39.011 38.460 -0.022 0.000 1.309 1093 Y HN 0.719 nan 8.280 nan 0.000 0.544 1094 N N 1.604 120.401 118.700 0.162 0.000 2.669 1094 N HA -0.261 4.478 4.740 -0.002 0.000 0.266 1094 N C -0.908 174.600 175.510 -0.003 0.000 1.024 1094 N CA 0.926 54.026 53.050 0.082 0.000 0.766 1094 N CB -0.806 37.733 38.487 0.086 0.000 0.898 1094 N HN 0.597 nan 8.380 nan 0.000 0.548 1095 K N 0.556 120.896 120.400 -0.100 0.000 2.565 1095 K HA 0.164 4.483 4.320 -0.002 0.000 0.251 1095 K C -0.872 175.458 176.600 -0.449 0.000 0.956 1095 K CA -0.527 55.590 56.287 -0.284 0.000 0.809 1095 K CB 1.658 33.911 32.500 -0.410 0.000 1.267 1095 K HN 0.098 nan 8.250 nan 0.000 0.438 1096 E N 3.097 123.132 120.200 -0.276 0.000 2.384 1096 E HA 0.063 4.412 4.350 -0.002 0.000 0.266 1096 E C -0.980 175.440 176.600 -0.300 0.000 1.012 1096 E CA 0.354 56.650 56.400 -0.173 0.000 0.901 1096 E CB 0.505 30.171 29.700 -0.058 0.000 0.967 1096 E HN 0.357 nan 8.360 nan 0.000 0.435 1097 Y N 0.974 121.338 120.300 0.106 0.000 2.504 1097 Y HA 0.270 4.818 4.550 -0.002 0.000 0.344 1097 Y C -0.745 175.261 175.900 0.177 0.000 1.023 1097 Y CA -1.217 57.015 58.100 0.220 0.000 1.020 1097 Y CB 1.340 40.040 38.460 0.400 0.000 1.282 1097 Y HN 0.443 nan 8.280 nan 0.000 0.454 1098 Y N 1.937 122.510 120.300 0.455 0.000 2.403 1098 Y HA 0.523 5.071 4.550 -0.002 0.000 0.323 1098 Y C 0.094 176.130 175.900 0.228 0.000 1.226 1098 Y CA -0.800 57.510 58.100 0.349 0.000 1.235 1098 Y CB 1.089 39.685 38.460 0.226 0.000 1.248 1098 Y HN 0.347 nan 8.280 nan 0.000 0.489 1099 M N 2.673 122.443 119.600 0.284 0.000 2.336 1099 M HA 0.303 4.782 4.480 -0.002 0.000 0.342 1099 M C -1.419 174.987 176.300 0.177 0.000 1.128 1099 M CA -0.528 54.764 55.300 -0.014 0.000 1.016 1099 M CB 1.334 33.665 32.600 -0.448 0.000 1.665 1099 M HN 0.569 nan 8.290 nan 0.000 0.445 1100 F N 3.440 123.380 119.950 -0.016 0.000 2.480 1100 F HA 0.477 5.003 4.527 -0.002 0.000 0.329 1100 F C -0.569 175.262 175.800 0.052 0.000 1.091 1100 F CA -0.700 57.312 58.000 0.020 0.000 0.972 1100 F CB 1.109 40.096 39.000 -0.022 0.000 1.150 1100 F HN 0.473 nan 8.300 nan 0.000 0.467 1101 N N 4.166 122.356 118.700 -0.849 0.000 2.479 1101 N HA 0.319 5.058 4.740 -0.002 0.000 0.261 1101 N C 0.207 175.075 175.510 -1.071 0.000 0.979 1101 N CA 0.136 52.617 53.050 -0.949 0.000 0.930 1101 N CB 1.978 39.941 38.487 -0.874 0.000 1.172 1101 N HN 0.871 nan 8.380 nan 0.000 0.499 1102 A N 2.603 124.991 122.820 -0.720 0.000 2.178 1102 A HA -0.004 4.315 4.320 -0.002 0.000 0.218 1102 A C 1.578 178.981 177.584 -0.301 0.000 1.157 1102 A CA 1.649 53.455 52.037 -0.385 0.000 0.689 1102 A CB -0.249 18.677 19.000 -0.124 0.000 0.787 1102 A HN 0.691 nan 8.150 nan 0.000 0.465 1103 G N -1.302 107.277 108.800 -0.367 0.000 3.020 1103 G HA2 0.231 4.190 3.960 -0.002 0.000 0.217 1103 G HA3 0.231 4.190 3.960 -0.002 0.000 0.217 1103 G C -0.006 174.769 174.900 -0.208 0.000 1.144 1103 G CA 0.037 44.997 45.100 -0.233 0.000 0.760 1103 G HN 0.505 nan 8.290 nan 0.000 0.548 1104 N N 0.098 118.620 118.700 -0.298 0.000 2.711 1104 N HA 0.230 4.968 4.740 -0.002 0.000 0.263 1104 N C 0.835 176.186 175.510 -0.266 0.000 1.667 1104 N CA -0.429 52.489 53.050 -0.220 0.000 0.785 1104 N CB 1.362 39.733 38.487 -0.194 0.000 1.231 1104 N HN -0.023 nan 8.380 nan 0.000 0.503 1105 K N 0.325 120.604 120.400 -0.202 0.000 2.032 1105 K HA -0.145 4.174 4.320 -0.002 0.000 0.218 1105 K C 0.157 176.794 176.600 0.061 0.000 1.054 1105 K CA 1.238 57.482 56.287 -0.072 0.000 0.941 1105 K CB -0.055 32.524 32.500 0.131 0.000 0.720 1105 K HN 0.331 nan 8.250 nan 0.000 0.449 1106 N N 1.068 119.802 118.700 0.057 0.000 2.623 1106 N HA 0.064 4.803 4.740 -0.002 0.000 0.263 1106 N C -1.067 174.486 175.510 0.072 0.000 1.218 1106 N CA 0.220 53.329 53.050 0.099 0.000 0.949 1106 N CB 0.723 39.262 38.487 0.087 0.000 1.270 1106 N HN -0.004 nan 8.380 nan 0.000 0.507 1107 S N 0.190 115.917 115.700 0.044 0.000 2.549 1107 S HA 0.618 5.087 4.470 -0.002 0.000 0.280 1107 S C -1.005 173.659 174.600 0.107 0.000 1.109 1107 S CA -0.809 57.393 58.200 0.003 0.000 0.905 1107 S CB 1.579 64.730 63.200 -0.083 0.000 1.081 1107 S HN 0.391 nan 8.310 nan 0.000 0.477 1108 Y N -0.715 119.588 120.300 0.004 0.000 2.615 1108 Y HA 0.823 5.372 4.550 -0.002 0.000 0.341 1108 Y C -1.220 174.681 175.900 0.002 0.000 1.089 1108 Y CA -1.474 56.645 58.100 0.032 0.000 1.049 1108 Y CB 0.481 38.980 38.460 0.065 0.000 1.296 1108 Y HN 0.506 nan 8.280 nan 0.000 0.470 1109 I N 2.762 123.435 120.570 0.172 0.000 2.499 1109 I HA 0.457 4.626 4.170 -0.002 0.000 0.296 1109 I C -0.170 175.983 176.117 0.061 0.000 0.992 1109 I CA -0.836 60.447 61.300 -0.029 0.000 1.297 1109 I CB 1.416 39.258 38.000 -0.262 0.000 1.410 1109 I HN 0.502 nan 8.210 nan 0.000 0.507 1110 K N 4.679 125.044 120.400 -0.059 0.000 2.543 1110 K HA 0.322 4.641 4.320 -0.002 0.000 0.255 1110 K C -1.658 174.896 176.600 -0.076 0.000 0.934 1110 K CA -0.919 55.353 56.287 -0.026 0.000 0.810 1110 K CB 2.411 34.938 32.500 0.046 0.000 1.315 1110 K HN 0.416 nan 8.250 nan 0.000 0.433 1111 L N 4.227 125.396 121.223 -0.089 0.000 2.456 1111 L HA 0.191 4.530 4.340 -0.002 0.000 0.277 1111 L C 0.273 177.147 176.870 0.006 0.000 1.124 1111 L CA 0.530 55.345 54.840 -0.042 0.000 0.880 1111 L CB -0.004 42.030 42.059 -0.042 0.000 1.192 1111 L HN 0.495 nan 8.230 nan 0.000 0.463 1112 K N 4.499 124.923 120.400 0.041 0.000 2.484 1112 K HA -0.069 4.250 4.320 -0.002 0.000 0.280 1112 K C 1.176 177.813 176.600 0.061 0.000 1.013 1112 K CA 0.245 56.562 56.287 0.049 0.000 1.029 1112 K CB 0.616 33.168 32.500 0.087 0.000 0.902 1112 K HN 0.787 nan 8.250 nan 0.000 0.481 1113 K N 3.024 123.450 120.400 0.044 0.000 2.015 1113 K HA -0.240 4.079 4.320 -0.002 0.000 0.220 1113 K C 0.692 177.336 176.600 0.073 0.000 1.055 1113 K CA 2.600 58.916 56.287 0.049 0.000 0.951 1113 K CB -0.107 32.416 32.500 0.038 0.000 0.725 1113 K HN 0.811 nan 8.250 nan 0.000 0.449 1114 D N -0.210 120.234 120.400 0.073 0.000 2.352 1114 D HA 0.021 4.660 4.640 -0.002 0.000 0.236 1114 D C -0.620 175.738 176.300 0.097 0.000 1.148 1114 D CA -0.289 53.760 54.000 0.081 0.000 0.844 1114 D CB 0.339 41.179 40.800 0.066 0.000 0.933 1114 D HN 0.173 nan 8.370 nan 0.000 0.507 1115 S N -1.578 114.193 115.700 0.118 0.000 2.552 1115 S HA 0.407 4.876 4.470 -0.002 0.000 0.272 1115 S C -2.876 171.825 174.600 0.167 0.000 1.150 1115 S CA -1.273 57.006 58.200 0.133 0.000 0.849 1115 S CB 1.726 64.992 63.200 0.111 0.000 1.113 1115 S HN -0.084 nan 8.310 nan 0.000 0.458 1116 P HA 0.202 nan 4.420 nan 0.000 0.261 1116 P C 0.054 177.445 177.300 0.152 0.000 1.650 1116 P CA 0.061 63.242 63.100 0.136 0.000 0.846 1116 P CB -0.646 31.108 31.700 0.090 0.000 1.758 1117 V N -3.607 116.417 119.914 0.184 0.000 3.040 1117 V HA 0.939 5.058 4.120 -0.002 0.000 0.312 1117 V C -0.109 176.112 176.094 0.211 0.000 1.115 1117 V CA -1.118 61.312 62.300 0.216 0.000 0.998 1117 V CB 1.854 33.801 31.823 0.207 0.000 1.042 1117 V HN 0.081 nan 8.190 nan 0.000 0.433 1118 G N 2.205 111.165 108.800 0.266 0.000 2.335 1118 G HA2 0.593 4.552 3.960 -0.002 0.000 0.314 1118 G HA3 0.593 4.552 3.960 -0.002 0.000 0.314 1118 G C -0.291 174.691 174.900 0.137 0.000 1.129 1118 G CA -0.351 44.835 45.100 0.143 0.000 0.912 1118 G HN 1.082 nan 8.290 nan 0.000 0.443 1119 E N 1.748 121.942 120.200 -0.009 0.000 2.312 1119 E HA 0.491 4.840 4.350 -0.002 0.000 0.259 1119 E C -0.706 175.765 176.600 -0.215 0.000 1.122 1119 E CA -0.854 55.428 56.400 -0.196 0.000 0.922 1119 E CB 1.436 31.000 29.700 -0.227 0.000 1.109 1119 E HN 0.119 nan 8.360 nan 0.000 0.442 1120 I N 2.099 122.486 120.570 -0.305 0.000 2.389 1120 I HA 0.308 4.477 4.170 -0.002 0.000 0.288 1120 I C -0.174 175.715 176.117 -0.380 0.000 0.999 1120 I CA -0.692 60.445 61.300 -0.272 0.000 1.129 1120 I CB 0.623 38.534 38.000 -0.148 0.000 1.288 1120 I HN 0.543 nan 8.210 nan 0.000 0.444 1121 L N 4.334 125.176 121.223 -0.635 0.000 2.313 1121 L HA 0.580 4.919 4.340 -0.002 0.000 0.268 1121 L C 0.479 176.974 176.870 -0.625 0.000 1.010 1121 L CA -0.829 53.589 54.840 -0.703 0.000 0.814 1121 L CB 1.708 43.224 42.059 -0.905 0.000 1.304 1121 L HN 0.435 nan 8.230 nan 0.000 0.441 1122 T N 0.997 115.392 114.554 -0.264 0.000 2.832 1122 T HA 0.261 4.610 4.350 -0.002 0.000 0.296 1122 T C 0.313 175.156 174.700 0.239 0.000 0.968 1122 T CA -0.452 61.631 62.100 -0.028 0.000 1.107 1122 T CB 0.370 69.239 68.868 0.002 0.000 0.916 1122 T HN 0.392 nan 8.240 nan 0.000 0.517 1123 R N 2.018 122.726 120.500 0.347 0.000 2.679 1123 R HA 0.232 4.571 4.340 -0.002 0.000 0.268 1123 R C 0.766 177.200 176.300 0.222 0.000 1.044 1123 R CA -0.221 56.115 56.100 0.394 0.000 1.105 1123 R CB 0.318 30.772 30.300 0.257 0.000 0.989 1123 R HN 0.719 nan 8.270 nan 0.000 0.447 1124 S N 1.722 117.511 115.700 0.149 0.000 2.652 1124 S HA 0.358 4.827 4.470 -0.002 0.000 0.270 1124 S C -0.195 174.449 174.600 0.074 0.000 1.243 1124 S CA -0.928 57.326 58.200 0.090 0.000 0.999 1124 S CB 1.341 64.575 63.200 0.056 0.000 0.973 1124 S HN 0.607 nan 8.310 nan 0.000 0.544 1125 K N -0.490 119.924 120.400 0.024 0.000 2.349 1125 K HA 0.422 4.741 4.320 -0.002 0.000 0.243 1125 K C -1.176 175.334 176.600 -0.149 0.000 1.058 1125 K CA -1.080 55.189 56.287 -0.031 0.000 0.871 1125 K CB 0.385 32.880 32.500 -0.008 0.000 1.337 1125 K HN 0.506 nan 8.250 nan 0.000 0.469 1126 Y N 2.152 122.133 120.300 -0.532 0.000 2.804 1126 Y HA -0.071 4.478 4.550 -0.002 0.000 0.338 1126 Y C 0.096 175.859 175.900 -0.230 0.000 1.252 1126 Y CA 0.413 58.164 58.100 -0.582 0.000 1.576 1126 Y CB 0.035 38.009 38.460 -0.810 0.000 1.223 1126 Y HN 0.599 nan 8.280 nan 0.000 0.536 1127 N N 4.022 122.331 118.700 -0.650 0.000 2.356 1127 N HA -0.019 4.720 4.740 -0.002 0.000 0.178 1127 N C -0.018 175.122 175.510 -0.618 0.000 1.075 1127 N CA 0.281 53.033 53.050 -0.497 0.000 0.889 1127 N CB 0.150 38.486 38.487 -0.252 0.000 0.999 1127 N HN 0.726 nan 8.380 nan 0.000 0.464 1128 Q N 1.259 120.439 119.800 -1.034 0.000 2.584 1128 Q HA 0.089 4.428 4.340 -0.002 0.000 0.218 1128 Q C 0.543 176.305 176.000 -0.396 0.000 1.079 1128 Q CA -0.072 55.374 55.803 -0.594 0.000 1.008 1128 Q CB 0.310 28.856 28.738 -0.321 0.000 1.267 1128 Q HN 0.250 nan 8.270 nan 0.000 0.586 1129 N N 0.180 118.823 118.700 -0.095 0.000 3.209 1129 N HA 0.034 4.773 4.740 -0.002 0.000 0.309 1129 N C -1.228 174.344 175.510 0.102 0.000 1.384 1129 N CA -0.058 52.993 53.050 0.001 0.000 1.173 1129 N CB 0.743 39.223 38.487 -0.012 0.000 1.460 1129 N HN 0.226 nan 8.380 nan 0.000 0.534 1130 S N 0.492 116.345 115.700 0.254 0.000 2.509 1130 S HA 0.284 4.753 4.470 -0.002 0.000 0.297 1130 S C 1.010 175.662 174.600 0.088 0.000 1.118 1130 S CA -0.801 57.521 58.200 0.203 0.000 1.074 1130 S CB 1.228 64.572 63.200 0.239 0.000 1.038 1130 S HN 0.576 nan 8.310 nan 0.000 0.498 1131 K N 2.521 122.875 120.400 -0.076 0.000 2.361 1131 K HA 0.111 4.430 4.320 -0.002 0.000 0.194 1131 K C 0.441 176.861 176.600 -0.301 0.000 1.032 1131 K CA 0.538 56.694 56.287 -0.219 0.000 1.048 1131 K CB -0.153 32.133 32.500 -0.357 0.000 0.842 1131 K HN 0.663 nan 8.250 nan 0.000 0.526 1132 Y N 2.160 122.426 120.300 -0.056 0.000 2.503 1132 Y HA 0.255 4.804 4.550 -0.002 0.000 0.278 1132 Y C 1.240 177.030 175.900 -0.184 0.000 1.111 1132 Y CA -0.495 57.541 58.100 -0.106 0.000 1.270 1132 Y CB 0.310 38.696 38.460 -0.124 0.000 1.063 1132 Y HN 0.094 nan 8.280 nan 0.000 0.548 1133 I N -2.120 118.378 120.570 -0.120 0.000 3.002 1133 I HA 0.555 4.723 4.170 -0.002 0.000 0.310 1133 I C -0.902 175.117 176.117 -0.163 0.000 1.087 1133 I CA -1.176 59.968 61.300 -0.261 0.000 1.017 1133 I CB 2.473 40.081 38.000 -0.652 0.000 1.226 1133 I HN -0.097 nan 8.210 nan 0.000 0.443 1134 N N 2.229 120.920 118.700 -0.015 0.000 2.846 1134 N HA 0.365 5.104 4.740 -0.002 0.000 0.248 1134 N C -2.118 173.540 175.510 0.247 0.000 1.097 1134 N CA -0.237 52.860 53.050 0.077 0.000 1.013 1134 N CB 2.401 40.956 38.487 0.112 0.000 1.686 1134 N HN 0.904 nan 8.380 nan 0.000 0.520 1135 Y N -0.273 120.172 120.300 0.241 0.000 2.895 1135 Y HA 0.630 5.179 4.550 -0.002 0.000 0.339 1135 Y C -1.636 174.412 175.900 0.248 0.000 1.363 1135 Y CA -1.056 57.204 58.100 0.268 0.000 1.085 1135 Y CB 0.608 39.275 38.460 0.346 0.000 1.500 1135 Y HN 0.310 nan 8.280 nan 0.000 0.442 1136 R N 1.185 122.018 120.500 0.554 0.000 2.711 1136 R HA 0.346 4.685 4.340 -0.002 0.000 0.284 1136 R C -1.464 175.110 176.300 0.457 0.000 0.968 1136 R CA -0.920 55.394 56.100 0.358 0.000 0.924 1136 R CB 1.596 32.038 30.300 0.237 0.000 1.162 1136 R HN 0.789 nan 8.270 nan 0.000 0.465 1137 D N 2.189 122.764 120.400 0.291 0.000 2.414 1137 D HA 0.075 4.714 4.640 -0.002 0.000 0.242 1137 D C 1.169 177.439 176.300 -0.050 0.000 1.129 1137 D CA 0.132 54.248 54.000 0.193 0.000 0.885 1137 D CB 1.192 42.047 40.800 0.093 0.000 1.198 1137 D HN 0.354 nan 8.370 nan 0.000 0.437 1138 L N 0.925 121.982 121.223 -0.276 0.000 2.642 1138 L HA 0.068 4.406 4.340 -0.002 0.000 0.233 1138 L C 0.289 176.845 176.870 -0.524 0.000 1.077 1138 L CA 0.090 54.609 54.840 -0.535 0.000 0.879 1138 L CB 0.228 41.672 42.059 -1.024 0.000 1.151 1138 L HN 0.302 nan 8.230 nan 0.000 0.495 1139 Y N 1.710 121.751 120.300 -0.432 0.000 2.812 1139 Y HA 0.512 5.061 4.550 -0.002 0.000 0.354 1139 Y C -0.002 175.496 175.900 -0.670 0.000 1.276 1139 Y CA -0.995 56.565 58.100 -0.901 0.000 1.639 1139 Y CB -0.103 38.077 38.460 -0.466 0.000 1.741 1139 Y HN -0.004 nan 8.280 nan 0.000 0.479 1140 I N -0.688 119.625 120.570 -0.427 0.000 3.095 1140 I HA 0.818 4.987 4.170 -0.002 0.000 0.310 1140 I C 0.254 176.323 176.117 -0.079 0.000 1.196 1140 I CA -0.297 60.834 61.300 -0.282 0.000 0.985 1140 I CB 2.194 39.865 38.000 -0.548 0.000 1.250 1140 I HN 0.475 nan 8.210 nan 0.000 0.446 1141 G N 3.777 112.515 108.800 -0.103 0.000 2.760 1141 G HA2 -0.117 3.842 3.960 -0.002 0.000 0.246 1141 G HA3 -0.117 3.842 3.960 -0.002 0.000 0.246 1141 G C -0.928 174.100 174.900 0.214 0.000 1.359 1141 G CA -0.669 44.551 45.100 0.200 0.000 0.861 1141 G HN 0.694 nan 8.290 nan 0.000 0.541 1142 E N 0.641 120.887 120.200 0.077 0.000 2.398 1142 E HA 0.230 4.579 4.350 -0.002 0.000 0.263 1142 E C 0.467 176.921 176.600 -0.243 0.000 1.046 1142 E CA 0.215 56.515 56.400 -0.166 0.000 0.908 1142 E CB 0.555 29.924 29.700 -0.551 0.000 0.963 1142 E HN 0.482 nan 8.360 nan 0.000 0.431 1143 K N 2.611 122.849 120.400 -0.270 0.000 2.264 1143 K HA 0.293 4.612 4.320 -0.002 0.000 0.277 1143 K C -0.404 176.076 176.600 -0.201 0.000 1.067 1143 K CA -0.255 55.855 56.287 -0.296 0.000 0.900 1143 K CB 0.403 32.780 32.500 -0.205 0.000 1.124 1143 K HN 0.209 nan 8.250 nan 0.000 0.469 1144 F N 2.301 122.262 119.950 0.019 0.000 2.380 1144 F HA 0.527 5.052 4.527 -0.002 0.000 0.321 1144 F C 0.402 176.229 175.800 0.045 0.000 1.103 1144 F CA -1.027 57.026 58.000 0.088 0.000 1.067 1144 F CB 0.902 40.013 39.000 0.185 0.000 1.265 1144 F HN 0.329 nan 8.300 nan 0.000 0.517 1145 I N 2.211 122.892 120.570 0.184 0.000 2.611 1145 I HA 0.335 4.504 4.170 -0.002 0.000 0.287 1145 I C -1.257 174.909 176.117 0.082 0.000 1.184 1145 I CA -0.393 60.951 61.300 0.072 0.000 1.054 1145 I CB 0.895 38.871 38.000 -0.039 0.000 1.257 1145 I HN 0.407 nan 8.210 nan 0.000 0.435 1146 I N 7.314 127.917 120.570 0.055 0.000 2.533 1146 I HA 0.208 4.377 4.170 -0.002 0.000 0.284 1146 I C 0.110 176.334 176.117 0.178 0.000 1.109 1146 I CA -0.118 61.188 61.300 0.010 0.000 1.412 1146 I CB 0.132 37.975 38.000 -0.261 0.000 1.396 1146 I HN 0.361 nan 8.210 nan 0.000 0.543 1147 R N 6.161 126.816 120.500 0.258 0.000 2.514 1147 R HA 0.417 4.756 4.340 -0.002 0.000 0.301 1147 R C -0.283 176.202 176.300 0.307 0.000 0.962 1147 R CA -1.037 55.252 56.100 0.316 0.000 0.882 1147 R CB 1.604 32.069 30.300 0.275 0.000 1.143 1147 R HN 0.590 nan 8.270 nan 0.000 0.452 1148 R N 1.699 122.237 120.500 0.063 0.000 2.537 1148 R HA -0.062 4.277 4.340 -0.002 0.000 0.280 1148 R C 1.038 177.244 176.300 -0.156 0.000 1.058 1148 R CA 0.145 56.086 56.100 -0.266 0.000 1.057 1148 R CB 0.650 30.552 30.300 -0.664 0.000 0.973 1148 R HN 0.428 nan 8.270 nan 0.000 0.438 1149 K N 3.757 124.019 120.400 -0.229 0.000 2.021 1149 K HA 0.035 4.354 4.320 -0.002 0.000 0.205 1149 K C 1.066 177.575 176.600 -0.151 0.000 1.047 1149 K CA 1.947 58.006 56.287 -0.380 0.000 0.943 1149 K CB -0.332 31.944 32.500 -0.374 0.000 0.725 1149 K HN 0.690 nan 8.250 nan 0.000 0.439 1150 S N -0.246 115.398 115.700 -0.094 0.000 2.121 1150 S HA 0.311 4.780 4.470 -0.002 0.000 0.211 1150 S C 0.215 174.786 174.600 -0.048 0.000 1.316 1150 S CA 0.348 58.520 58.200 -0.047 0.000 1.061 1150 S CB -1.445 61.741 63.200 -0.024 0.000 0.831 1150 S HN 0.980 nan 8.310 nan 0.000 0.419 1151 N N -1.705 116.970 118.700 -0.042 0.000 2.492 1151 N HA 0.297 5.036 4.740 -0.002 0.000 0.297 1151 N C 0.335 175.834 175.510 -0.018 0.000 1.456 1151 N CA 1.281 54.307 53.050 -0.041 0.000 0.683 1151 N CB -2.080 36.360 38.487 -0.080 0.000 1.007 1151 N HN 1.982 nan 8.380 nan 0.000 0.478 1152 S N -0.548 115.150 115.700 -0.003 0.000 2.575 1152 S HA 0.627 5.096 4.470 -0.002 0.000 0.237 1152 S C 1.116 175.720 174.600 0.007 0.000 0.975 1152 S CA 1.328 59.534 58.200 0.010 0.000 0.960 1152 S CB 0.125 63.335 63.200 0.017 0.000 0.822 1152 S HN 2.020 nan 8.310 nan 0.000 0.472 1153 Q N 0.732 120.531 119.800 -0.002 0.000 2.706 1153 Q HA 0.797 5.136 4.340 -0.002 0.000 0.250 1153 Q C 0.426 176.423 176.000 -0.004 0.000 1.120 1153 Q CA 0.124 55.927 55.803 -0.001 0.000 0.972 1153 Q CB -1.181 27.556 28.738 -0.002 0.000 1.173 1153 Q HN 2.149 nan 8.270 nan 0.000 0.522 1154 S N -1.338 114.363 115.700 0.002 0.000 3.849 1154 S HA 0.402 4.871 4.470 -0.002 0.000 0.654 1154 S C 0.433 175.030 174.600 -0.004 0.000 1.808 1154 S CA 0.633 58.835 58.200 0.003 0.000 1.951 1154 S CB -1.599 61.602 63.200 0.002 0.000 0.330 1154 S HN 2.364 nan 8.310 nan 0.000 1.627 1155 I N 0.832 121.402 120.570 0.001 0.000 2.521 1155 I HA 0.880 5.049 4.170 -0.002 0.000 0.277 1155 I C 0.458 176.577 176.117 0.003 0.000 1.054 1155 I CA 0.817 62.117 61.300 -0.001 0.000 1.117 1155 I CB -0.223 37.788 38.000 0.017 0.000 1.217 1155 I HN 2.048 nan 8.210 nan 0.000 0.469 1156 N N 2.449 121.145 118.700 -0.007 0.000 2.129 1156 N HA 0.633 5.372 4.740 -0.002 0.000 0.224 1156 N C 0.844 176.364 175.510 0.017 0.000 1.039 1156 N CA 1.547 54.598 53.050 0.002 0.000 1.101 1156 N CB -0.129 38.356 38.487 -0.004 0.000 1.401 1156 N HN 2.104 nan 8.380 nan 0.000 0.582 1157 D N -0.402 120.012 120.400 0.022 0.000 2.950 1157 D HA 0.388 5.027 4.640 -0.002 0.000 0.212 1157 D C -1.609 174.731 176.300 0.068 0.000 1.398 1157 D CA -0.469 53.565 54.000 0.056 0.000 1.198 1157 D CB -0.817 40.003 40.800 0.032 0.000 1.369 1157 D HN 0.471 nan 8.370 nan 0.000 0.624 1158 D N -0.381 120.083 120.400 0.107 0.000 2.511 1158 D HA 0.596 5.235 4.640 -0.002 0.000 0.276 1158 D C 0.899 177.324 176.300 0.208 0.000 1.220 1158 D CA -0.305 53.766 54.000 0.117 0.000 1.077 1158 D CB 1.166 42.000 40.800 0.057 0.000 1.126 1158 D HN 0.525 nan 8.370 nan 0.000 0.583 1159 I N 0.593 121.243 120.570 0.133 0.000 2.472 1159 I HA 0.142 4.311 4.170 -0.002 0.000 0.290 1159 I C -0.095 176.103 176.117 0.135 0.000 1.016 1159 I CA -0.764 60.562 61.300 0.044 0.000 1.348 1159 I CB 1.320 39.294 38.000 -0.043 0.000 1.417 1159 I HN -0.125 nan 8.210 nan 0.000 0.521 1160 V N 6.920 126.786 119.914 -0.080 0.000 2.406 1160 V HA 0.333 4.451 4.120 -0.002 0.000 0.272 1160 V C 0.374 176.447 176.094 -0.035 0.000 1.043 1160 V CA -0.539 61.661 62.300 -0.168 0.000 0.915 1160 V CB 0.578 32.081 31.823 -0.533 0.000 0.988 1160 V HN 0.695 nan 8.190 nan 0.000 0.466 1161 R N 3.109 123.623 120.500 0.022 0.000 2.643 1161 R HA 0.524 4.863 4.340 -0.002 0.000 0.272 1161 R C -0.238 176.016 176.300 -0.077 0.000 0.995 1161 R CA -1.040 55.056 56.100 -0.006 0.000 1.032 1161 R CB 1.650 31.958 30.300 0.013 0.000 1.126 1161 R HN 0.579 nan 8.270 nan 0.000 0.505 1162 K N 1.940 122.274 120.400 -0.110 0.000 2.440 1162 K HA -0.077 4.242 4.320 -0.002 0.000 0.270 1162 K C 0.033 176.531 176.600 -0.171 0.000 0.980 1162 K CA 0.240 56.436 56.287 -0.153 0.000 0.953 1162 K CB 0.295 32.696 32.500 -0.165 0.000 0.925 1162 K HN 0.573 nan 8.250 nan 0.000 0.497 1163 E N -0.256 119.810 120.200 -0.224 0.000 3.170 1163 E HA -0.226 4.123 4.350 -0.002 0.000 0.284 1163 E C -0.866 175.488 176.600 -0.410 0.000 0.967 1163 E CA 1.068 57.292 56.400 -0.294 0.000 0.919 1163 E CB -1.514 28.055 29.700 -0.218 0.000 1.469 1163 E HN 0.592 nan 8.360 nan 0.000 0.444 1164 D N -0.338 119.876 120.400 -0.310 0.000 2.304 1164 D HA 0.279 4.918 4.640 -0.002 0.000 0.247 1164 D C 0.083 176.168 176.300 -0.359 0.000 1.089 1164 D CA -0.101 53.744 54.000 -0.258 0.000 0.910 1164 D CB 0.326 41.105 40.800 -0.036 0.000 1.199 1164 D HN -0.006 nan 8.370 nan 0.000 0.426 1165 Y N 1.487 121.770 120.300 -0.028 0.000 2.326 1165 Y HA 0.359 4.908 4.550 -0.002 0.000 0.337 1165 Y C 0.790 176.631 175.900 -0.099 0.000 1.023 1165 Y CA -0.615 57.438 58.100 -0.078 0.000 1.143 1165 Y CB 0.754 39.156 38.460 -0.097 0.000 1.183 1165 Y HN 0.207 nan 8.280 nan 0.000 0.485 1166 I N -0.891 119.692 120.570 0.022 0.000 3.457 1166 I HA 0.606 4.775 4.170 -0.002 0.000 0.307 1166 I C -1.926 174.123 176.117 -0.114 0.000 1.138 1166 I CA -1.386 59.901 61.300 -0.023 0.000 0.974 1166 I CB 2.864 40.895 38.000 0.052 0.000 1.324 1166 I HN 0.434 nan 8.210 nan 0.000 0.485 1167 Y N 1.649 122.003 120.300 0.091 0.000 2.338 1167 Y HA 0.491 5.040 4.550 -0.002 0.000 0.333 1167 Y C -0.720 175.204 175.900 0.041 0.000 0.968 1167 Y CA -0.973 57.159 58.100 0.054 0.000 1.123 1167 Y CB 2.339 40.833 38.460 0.057 0.000 1.165 1167 Y HN 0.386 nan 8.280 nan 0.000 0.452 1168 L N 5.578 126.918 121.223 0.194 0.000 2.328 1168 L HA 0.367 4.706 4.340 -0.002 0.000 0.280 1168 L C -0.758 176.270 176.870 0.263 0.000 1.111 1168 L CA 0.076 55.025 54.840 0.182 0.000 0.909 1168 L CB -0.739 41.394 42.059 0.122 0.000 1.277 1168 L HN 0.540 nan 8.230 nan 0.000 0.433 1169 D N 3.664 124.200 120.400 0.228 0.000 2.539 1169 D HA 0.668 5.307 4.640 -0.002 0.000 0.276 1169 D C -0.586 175.865 176.300 0.252 0.000 1.206 1169 D CA 0.203 54.302 54.000 0.164 0.000 1.081 1169 D CB 1.158 41.914 40.800 -0.074 0.000 1.142 1169 D HN 0.310 nan 8.370 nan 0.000 0.595 1170 F N -2.293 117.462 119.950 -0.325 0.000 2.799 1170 F HA 0.531 5.057 4.527 -0.002 0.000 0.316 1170 F C -2.086 173.324 175.800 -0.649 0.000 1.155 1170 F CA -1.460 56.179 58.000 -0.602 0.000 0.916 1170 F CB 0.347 38.829 39.000 -0.862 0.000 1.294 1170 F HN 0.026 nan 8.300 nan 0.000 0.447 1171 F N 1.956 121.728 119.950 -0.296 0.000 2.399 1171 F HA 0.554 5.080 4.527 -0.002 0.000 0.334 1171 F C 0.049 175.593 175.800 -0.427 0.000 1.097 1171 F CA -0.575 57.201 58.000 -0.374 0.000 1.076 1171 F CB 1.466 40.339 39.000 -0.212 0.000 1.162 1171 F HN 0.618 nan 8.300 nan 0.000 0.495 1172 N N 3.841 122.301 118.700 -0.400 0.000 2.549 1172 N HA 0.544 5.283 4.740 -0.002 0.000 0.281 1172 N C -0.382 174.938 175.510 -0.318 0.000 1.084 1172 N CA -0.256 52.471 53.050 -0.538 0.000 0.862 1172 N CB 0.465 38.142 38.487 -1.350 0.000 1.333 1172 N HN 0.453 nan 8.380 nan 0.000 0.523 1173 L N 1.987 123.106 121.223 -0.174 0.000 6.599 1173 L HA -0.351 3.987 4.340 -0.002 0.000 0.053 1173 L C 0.953 177.777 176.870 -0.077 0.000 2.154 1173 L CA 1.689 56.467 54.840 -0.104 0.000 1.573 1173 L CB -1.354 40.654 42.059 -0.085 0.000 2.834 1173 L HN 0.753 nan 8.230 nan 0.000 1.072 1174 N N 0.652 119.326 118.700 -0.044 0.000 2.295 1174 N HA 0.199 4.938 4.740 -0.002 0.000 0.221 1174 N C -0.490 175.038 175.510 0.031 0.000 1.129 1174 N CA 0.241 53.274 53.050 -0.028 0.000 0.836 1174 N CB 0.199 38.672 38.487 -0.024 0.000 1.040 1174 N HN 0.485 nan 8.380 nan 0.000 0.494 1175 Q N -0.293 119.545 119.800 0.063 0.000 2.423 1175 Q HA 0.257 4.596 4.340 -0.002 0.000 0.278 1175 Q C -1.254 174.846 176.000 0.168 0.000 1.097 1175 Q CA -0.771 55.120 55.803 0.145 0.000 0.809 1175 Q CB 2.239 31.120 28.738 0.238 0.000 1.391 1175 Q HN 0.200 nan 8.270 nan 0.000 0.428 1176 E N 1.745 122.042 120.200 0.161 0.000 2.046 1176 E HA 0.144 4.493 4.350 -0.002 0.000 0.279 1176 E C -1.048 175.539 176.600 -0.022 0.000 0.989 1176 E CA -0.374 56.001 56.400 -0.042 0.000 0.798 1176 E CB 0.601 30.262 29.700 -0.065 0.000 1.086 1176 E HN 0.363 nan 8.360 nan 0.000 0.399 1177 W N 2.936 123.842 121.300 -0.656 0.000 1.998 1177 W HA 0.447 5.106 4.660 -0.002 0.000 0.441 1177 W C 0.595 176.807 176.519 -0.512 0.000 1.859 1177 W CA -0.597 56.371 57.345 -0.627 0.000 2.071 1177 W CB 0.353 29.249 29.460 -0.941 0.000 1.474 1177 W HN 0.469 nan 8.180 nan 0.000 0.734 1178 R N -0.589 119.893 120.500 -0.031 0.000 2.764 1178 R HA 0.594 4.933 4.340 -0.002 0.000 0.270 1178 R C -2.068 174.204 176.300 -0.046 0.000 1.014 1178 R CA -0.658 55.376 56.100 -0.109 0.000 0.904 1178 R CB 1.558 31.566 30.300 -0.487 0.000 1.236 1178 R HN 0.181 nan 8.270 nan 0.000 0.466 1179 V N 3.608 123.498 119.914 -0.040 0.000 2.333 1179 V HA 0.421 4.540 4.120 -0.002 0.000 0.274 1179 V C -1.029 175.088 176.094 0.039 0.000 1.028 1179 V CA -0.264 62.105 62.300 0.115 0.000 0.851 1179 V CB 0.516 32.513 31.823 0.289 0.000 1.000 1179 V HN 0.562 nan 8.190 nan 0.000 0.456 1180 Y N 1.883 122.359 120.300 0.293 0.000 2.650 1180 Y HA 0.748 5.297 4.550 -0.002 0.000 0.331 1180 Y C 0.582 176.588 175.900 0.176 0.000 1.082 1180 Y CA -0.995 57.288 58.100 0.304 0.000 1.171 1180 Y CB 2.126 40.728 38.460 0.236 0.000 1.326 1180 Y HN 0.434 nan 8.280 nan 0.000 0.513 1181 T N 0.492 115.210 114.554 0.274 0.000 2.921 1181 T HA 0.164 4.513 4.350 -0.002 0.000 0.297 1181 T C -1.762 173.172 174.700 0.391 0.000 1.013 1181 T CA -0.677 61.467 62.100 0.074 0.000 0.990 1181 T CB 0.590 69.153 68.868 -0.507 0.000 1.023 1181 T HN 0.400 nan 8.240 nan 0.000 0.447 1182 Y N 3.657 124.102 120.300 0.241 0.000 2.605 1182 Y HA 0.171 4.720 4.550 -0.002 0.000 0.336 1182 Y C 1.408 177.218 175.900 -0.149 0.000 1.111 1182 Y CA -0.620 57.443 58.100 -0.062 0.000 1.422 1182 Y CB 0.375 38.825 38.460 -0.016 0.000 1.193 1182 Y HN 0.633 nan 8.280 nan 0.000 0.526 1183 K N 4.109 123.976 120.400 -0.888 0.000 2.218 1183 K HA -0.213 4.106 4.320 -0.002 0.000 0.205 1183 K C -0.170 175.713 176.600 -1.196 0.000 1.046 1183 K CA 1.689 57.275 56.287 -1.169 0.000 0.933 1183 K CB -0.150 31.256 32.500 -1.822 0.000 0.728 1183 K HN 0.683 nan 8.250 nan 0.000 0.454 1184 Y N 0.196 119.815 120.300 -1.135 0.000 2.751 1184 Y HA 0.166 4.716 4.550 -0.001 0.000 0.289 1184 Y C -0.150 175.527 175.900 -0.371 0.000 1.110 1184 Y CA -1.673 55.975 58.100 -0.754 0.000 1.251 1184 Y CB -0.653 37.404 38.460 -0.673 0.000 1.178 1184 Y HN -0.064 nan 8.280 nan 0.000 0.540 1185 F N -0.558 119.273 119.950 -0.198 0.000 2.456 1185 F HA 0.422 4.948 4.527 -0.002 0.000 0.358 1185 F C 0.655 176.492 175.800 0.062 0.000 1.095 1185 F CA -1.224 56.836 58.000 0.101 0.000 1.216 1185 F CB 0.905 40.007 39.000 0.170 0.000 1.125 1185 F HN -0.087 nan 8.300 nan 0.000 0.549 1186 K N 2.811 123.212 120.400 0.001 0.000 2.393 1186 K HA 0.117 4.436 4.320 -0.002 0.000 0.193 1186 K C 0.238 176.798 176.600 -0.067 0.000 1.026 1186 K CA 0.107 56.334 56.287 -0.101 0.000 1.064 1186 K CB 0.136 32.633 32.500 -0.005 0.000 0.833 1186 K HN 0.635 nan 8.250 nan 0.000 0.521 1187 K N 0.761 121.212 120.400 0.085 0.000 2.179 1187 K HA 0.063 4.381 4.320 -0.002 0.000 0.238 1187 K C 0.830 177.531 176.600 0.168 0.000 1.033 1187 K CA -0.316 56.060 56.287 0.149 0.000 0.926 1187 K CB 0.697 33.338 32.500 0.236 0.000 1.151 1187 K HN -0.194 nan 8.250 nan 0.000 0.492 1188 E N 0.699 120.987 120.200 0.145 0.000 2.158 1188 E HA -0.112 4.237 4.350 -0.002 0.000 0.191 1188 E C -0.561 176.210 176.600 0.284 0.000 0.982 1188 E CA 1.121 57.612 56.400 0.152 0.000 0.823 1188 E CB 0.313 30.043 29.700 0.051 0.000 0.766 1188 E HN 0.482 nan 8.360 nan 0.000 0.468 1189 E N -0.513 119.815 120.200 0.213 0.000 2.369 1189 E HA 0.544 4.893 4.350 -0.002 0.000 0.270 1189 E C -0.951 175.699 176.600 0.084 0.000 0.909 1189 E CA -0.993 55.467 56.400 0.100 0.000 0.775 1189 E CB 1.447 31.051 29.700 -0.160 0.000 1.270 1189 E HN 0.045 nan 8.360 nan 0.000 0.445 1190 E N 0.578 120.730 120.200 -0.080 0.000 2.363 1190 E HA 0.265 4.614 4.350 -0.002 0.000 0.281 1190 E C -1.125 175.493 176.600 0.031 0.000 0.953 1190 E CA -0.839 55.520 56.400 -0.068 0.000 0.778 1190 E CB 1.303 30.731 29.700 -0.454 0.000 1.220 1190 E HN 0.461 nan 8.360 nan 0.000 0.431 1191 K N 3.069 123.542 120.400 0.122 0.000 2.451 1191 K HA 0.155 4.474 4.320 -0.002 0.000 0.280 1191 K C 0.100 176.761 176.600 0.102 0.000 1.020 1191 K CA 0.043 56.395 56.287 0.109 0.000 1.008 1191 K CB 0.401 32.878 32.500 -0.039 0.000 0.917 1191 K HN 0.398 nan 8.250 nan 0.000 0.478 1192 L N 3.066 124.358 121.223 0.115 0.000 2.461 1192 L HA 0.105 4.444 4.340 -0.002 0.000 0.272 1192 L C 0.221 177.245 176.870 0.258 0.000 1.197 1192 L CA -0.296 54.615 54.840 0.118 0.000 0.836 1192 L CB 0.063 42.106 42.059 -0.027 0.000 1.105 1192 L HN 0.495 nan 8.230 nan 0.000 0.477 1193 F N 4.051 124.083 119.950 0.136 0.000 2.350 1193 F HA 0.405 4.931 4.527 -0.001 0.000 0.365 1193 F C -0.503 175.422 175.800 0.208 0.000 1.122 1193 F CA -0.633 57.431 58.000 0.107 0.000 1.139 1193 F CB 0.272 39.235 39.000 -0.061 0.000 1.220 1193 F HN 0.142 nan 8.300 nan 0.000 0.499 1194 L N 7.131 128.236 121.223 -0.196 0.000 2.257 1194 L HA 0.798 5.137 4.340 -0.002 0.000 0.290 1194 L C -0.074 176.668 176.870 -0.213 0.000 1.044 1194 L CA -0.424 54.427 54.840 0.017 0.000 0.810 1194 L CB 0.647 42.885 42.059 0.298 0.000 1.193 1194 L HN 0.808 nan 8.230 nan 0.000 0.425 1195 A N 4.793 127.487 122.820 -0.210 0.000 2.564 1195 A HA 0.799 5.118 4.320 -0.002 0.000 0.291 1195 A C -2.916 174.235 177.584 -0.722 0.000 1.102 1195 A CA -1.312 50.287 52.037 -0.730 0.000 0.660 1195 A CB 1.218 19.651 19.000 -0.945 0.000 1.283 1195 A HN 0.385 nan 8.150 nan 0.000 0.430 1196 P HA 0.189 nan 4.420 nan 0.000 0.270 1196 P C -0.509 176.633 177.300 -0.263 0.000 1.221 1196 P CA 0.224 62.795 63.100 -0.881 0.000 0.788 1196 P CB 0.186 31.445 31.700 -0.734 0.000 0.904 1197 I N 0.877 121.362 120.570 -0.143 0.000 2.556 1197 I HA 0.190 4.359 4.170 -0.002 0.000 0.284 1197 I C 0.683 176.792 176.117 -0.014 0.000 1.114 1197 I CA 0.999 62.289 61.300 -0.017 0.000 1.418 1197 I CB 0.029 37.989 38.000 -0.066 0.000 1.394 1197 I HN 0.449 nan 8.210 nan 0.000 0.552 1198 S N 3.338 119.067 115.700 0.048 0.000 2.627 1198 S HA 0.233 4.702 4.470 -0.002 0.000 0.268 1198 S C -1.282 173.327 174.600 0.015 0.000 1.130 1198 S CA -1.070 57.126 58.200 -0.006 0.000 0.819 1198 S CB 1.835 65.000 63.200 -0.058 0.000 1.100 1198 S HN 0.574 nan 8.310 nan 0.000 0.465 1199 D N 1.526 121.932 120.400 0.011 0.000 2.485 1199 D HA 0.453 5.092 4.640 -0.002 0.000 0.256 1199 D C -0.866 175.450 176.300 0.028 0.000 1.141 1199 D CA 0.114 54.136 54.000 0.037 0.000 0.942 1199 D CB 0.979 41.806 40.800 0.045 0.000 1.003 1199 D HN 0.488 nan 8.370 nan 0.000 0.507 1200 S N 1.918 117.633 115.700 0.024 0.000 2.457 1200 S HA 0.092 4.561 4.470 -0.002 0.000 0.289 1200 S C 0.850 175.479 174.600 0.049 0.000 1.163 1200 S CA -0.637 57.597 58.200 0.058 0.000 1.078 1200 S CB 1.420 64.708 63.200 0.147 0.000 0.987 1200 S HN 0.305 nan 8.310 nan 0.000 0.482 1201 D N 3.312 123.717 120.400 0.009 0.000 2.378 1201 D HA -0.002 4.636 4.640 -0.002 0.000 0.227 1201 D C 0.986 177.216 176.300 -0.118 0.000 1.012 1201 D CA 0.881 54.862 54.000 -0.032 0.000 0.905 1201 D CB 0.270 41.068 40.800 -0.005 0.000 0.895 1201 D HN 0.715 nan 8.370 nan 0.000 0.532 1202 E N -1.258 118.826 120.200 -0.194 0.000 2.498 1202 E HA 0.155 4.504 4.350 -0.002 0.000 0.203 1202 E C -0.585 175.433 176.600 -0.969 0.000 1.013 1202 E CA -0.116 55.999 56.400 -0.475 0.000 0.927 1202 E CB 0.564 29.988 29.700 -0.460 0.000 1.012 1202 E HN 0.188 nan 8.360 nan 0.000 0.482 1203 F N -0.486 119.301 119.950 -0.271 0.000 2.578 1203 F HA 0.367 4.893 4.527 -0.001 0.000 0.311 1203 F C -0.613 175.075 175.800 -0.186 0.000 1.094 1203 F CA -1.224 56.633 58.000 -0.239 0.000 0.923 1203 F CB 1.008 39.925 39.000 -0.139 0.000 1.230 1203 F HN -0.179 nan 8.300 nan 0.000 0.450 1204 Y N 1.442 121.897 120.300 0.259 0.000 2.313 1204 Y HA 0.229 4.778 4.550 -0.002 0.000 0.332 1204 Y C 0.905 177.159 175.900 0.589 0.000 1.071 1204 Y CA -0.666 57.615 58.100 0.302 0.000 1.169 1204 Y CB 0.905 39.468 38.460 0.171 0.000 1.192 1204 Y HN 0.604 nan 8.280 nan 0.000 0.487 1205 N N -1.687 117.476 118.700 0.772 0.000 2.257 1205 N HA 0.065 4.804 4.740 -0.002 0.000 0.200 1205 N C -0.343 175.571 175.510 0.675 0.000 1.163 1205 N CA -0.044 53.452 53.050 0.742 0.000 0.891 1205 N CB 0.275 39.138 38.487 0.627 0.000 1.067 1205 N HN 0.317 nan 8.380 nan 0.000 0.497 1206 T N 1.585 116.490 114.554 0.586 0.000 2.743 1206 T HA 0.422 4.770 4.350 -0.002 0.000 0.293 1206 T C -0.123 174.660 174.700 0.137 0.000 0.945 1206 T CA -0.273 62.021 62.100 0.324 0.000 1.030 1206 T CB 0.815 69.793 68.868 0.184 0.000 0.912 1206 T HN 0.106 nan 8.240 nan 0.000 0.483 1207 I N 2.606 123.152 120.570 -0.041 0.000 2.648 1207 I HA 0.411 4.580 4.170 -0.002 0.000 0.304 1207 I C 0.117 176.213 176.117 -0.035 0.000 1.009 1207 I CA -0.957 60.184 61.300 -0.265 0.000 1.114 1207 I CB 2.174 39.911 38.000 -0.439 0.000 1.293 1207 I HN 0.431 nan 8.210 nan 0.000 0.449 1208 Q N 4.999 124.765 119.800 -0.057 0.000 2.331 1208 Q HA 0.503 4.842 4.340 -0.002 0.000 0.267 1208 Q C -1.242 174.679 176.000 -0.131 0.000 1.006 1208 Q CA -0.683 55.058 55.803 -0.103 0.000 0.818 1208 Q CB 2.319 31.001 28.738 -0.092 0.000 1.276 1208 Q HN 0.609 nan 8.270 nan 0.000 0.450 1209 I N 4.266 124.738 120.570 -0.164 0.000 2.371 1209 I HA 0.282 4.451 4.170 -0.002 0.000 0.290 1209 I C -0.732 175.286 176.117 -0.165 0.000 1.028 1209 I CA -0.057 61.166 61.300 -0.129 0.000 1.345 1209 I CB 0.224 38.139 38.000 -0.141 0.000 1.407 1209 I HN 0.584 nan 8.210 nan 0.000 0.501 1210 K N 5.273 125.583 120.400 -0.150 0.000 2.261 1210 K HA 0.523 4.841 4.320 -0.002 0.000 0.242 1210 K C -1.263 175.176 176.600 -0.269 0.000 1.083 1210 K CA -0.884 55.234 56.287 -0.283 0.000 0.880 1210 K CB 1.610 33.825 32.500 -0.475 0.000 1.353 1210 K HN 0.336 nan 8.250 nan 0.000 0.486 1211 E N 0.516 120.472 120.200 -0.408 0.000 2.649 1211 E HA 0.204 4.553 4.350 -0.002 0.000 0.310 1211 E C -0.939 175.425 176.600 -0.394 0.000 1.036 1211 E CA -0.047 56.171 56.400 -0.303 0.000 0.772 1211 E CB -0.015 29.553 29.700 -0.219 0.000 1.513 1211 E HN 0.505 nan 8.360 nan 0.000 0.384 1212 Y N 0.743 120.916 120.300 -0.212 0.000 2.457 1212 Y HA 0.097 4.646 4.550 -0.002 0.000 0.292 1212 Y C 1.041 176.638 175.900 -0.505 0.000 1.125 1212 Y CA 0.555 58.506 58.100 -0.249 0.000 1.254 1212 Y CB 0.297 38.710 38.460 -0.078 0.000 1.012 1212 Y HN 0.407 nan 8.280 nan 0.000 0.555 1213 D N 0.848 120.842 120.400 -0.677 0.000 2.389 1213 D HA -0.020 4.619 4.640 -0.002 0.000 0.247 1213 D C 0.436 176.576 176.300 -0.267 0.000 1.128 1213 D CA 0.364 53.943 54.000 -0.702 0.000 0.884 1213 D CB 0.992 41.420 40.800 -0.620 0.000 1.194 1213 D HN 0.357 nan 8.370 nan 0.000 0.441 1214 E N 1.127 121.243 120.200 -0.140 0.000 2.452 1214 E HA 0.008 4.357 4.350 -0.002 0.000 0.197 1214 E C 0.104 176.682 176.600 -0.036 0.000 1.022 1214 E CA -0.084 56.279 56.400 -0.061 0.000 0.890 1214 E CB 0.556 30.245 29.700 -0.018 0.000 0.918 1214 E HN 0.436 nan 8.360 nan 0.000 0.496 1215 Q N 0.573 120.354 119.800 -0.033 0.000 2.193 1215 Q HA 0.328 4.667 4.340 -0.002 0.000 0.246 1215 Q C -2.413 173.569 176.000 -0.030 0.000 0.959 1215 Q CA -2.443 53.360 55.803 -0.001 0.000 0.904 1215 Q CB 0.223 28.989 28.738 0.047 0.000 1.238 1215 Q HN -0.089 nan 8.270 nan 0.000 0.469 1216 P HA 0.070 nan 4.420 nan 0.000 0.264 1216 P C -0.643 176.622 177.300 -0.059 0.000 1.193 1216 P CA 0.607 63.656 63.100 -0.086 0.000 0.763 1216 P CB 0.556 32.112 31.700 -0.239 0.000 0.810 1217 T N 2.589 117.096 114.554 -0.079 0.000 2.957 1217 T HA 0.318 4.667 4.350 -0.002 0.000 0.336 1217 T C -0.549 174.174 174.700 0.039 0.000 1.462 1217 T CA -0.285 61.755 62.100 -0.099 0.000 1.073 1217 T CB 0.409 69.248 68.868 -0.048 0.000 1.319 1217 T HN 0.046 nan 8.240 nan 0.000 0.485 1218 Y N 1.238 121.521 120.300 -0.028 0.000 2.457 1218 Y HA 0.426 4.975 4.550 -0.002 0.000 0.263 1218 Y C 1.594 177.488 175.900 -0.010 0.000 1.164 1218 Y CA -0.731 57.345 58.100 -0.041 0.000 1.274 1218 Y CB -0.170 38.229 38.460 -0.102 0.000 1.097 1218 Y HN 0.362 nan 8.280 nan 0.000 0.523 1219 S N 0.339 116.118 115.700 0.132 0.000 2.632 1219 S HA 0.543 5.012 4.470 -0.002 0.000 0.267 1219 S C 0.200 174.866 174.600 0.109 0.000 1.276 1219 S CA -0.342 57.933 58.200 0.126 0.000 0.998 1219 S CB 1.179 64.440 63.200 0.102 0.000 0.953 1219 S HN 0.441 nan 8.310 nan 0.000 0.547 1220 C N 0.899 120.288 119.300 0.149 0.000 3.321 1220 C HA 0.834 5.293 4.460 -0.002 0.000 0.329 1220 C C -1.920 173.200 174.990 0.216 0.000 1.394 1220 C CA -0.984 58.114 59.018 0.132 0.000 1.291 1220 C CB 0.626 28.441 27.740 0.124 0.000 1.606 1220 C HN 0.728 nan 8.230 nan 0.000 0.463 1221 Q N 0.446 120.360 119.800 0.190 0.000 2.413 1221 Q HA 0.828 5.167 4.340 -0.002 0.000 0.276 1221 Q C -1.322 174.791 176.000 0.187 0.000 1.099 1221 Q CA -0.412 55.556 55.803 0.275 0.000 0.814 1221 Q CB 1.928 30.887 28.738 0.369 0.000 1.379 1221 Q HN 0.731 nan 8.270 nan 0.000 0.436 1222 L N 2.146 123.485 121.223 0.193 0.000 2.316 1222 L HA 0.552 4.891 4.340 -0.002 0.000 0.280 1222 L C -1.179 175.735 176.870 0.074 0.000 1.006 1222 L CA -0.914 53.955 54.840 0.049 0.000 0.836 1222 L CB 0.987 43.008 42.059 -0.064 0.000 1.221 1222 L HN 0.404 nan 8.230 nan 0.000 0.418 1223 L N 3.078 124.327 121.223 0.044 0.000 2.317 1223 L HA 0.580 4.919 4.340 -0.002 0.000 0.281 1223 L C -1.175 175.705 176.870 0.017 0.000 1.024 1223 L CA 0.202 55.108 54.840 0.111 0.000 0.810 1223 L CB 1.266 43.427 42.059 0.169 0.000 1.240 1223 L HN 0.239 nan 8.230 nan 0.000 0.427 1224 F N 4.727 124.743 119.950 0.110 0.000 2.415 1224 F HA 0.522 5.048 4.527 -0.002 0.000 0.348 1224 F C 0.378 176.167 175.800 -0.019 0.000 1.119 1224 F CA -0.245 57.793 58.000 0.062 0.000 1.069 1224 F CB 1.134 40.174 39.000 0.068 0.000 1.124 1224 F HN 0.433 nan 8.300 nan 0.000 0.472 1225 K N 2.849 123.341 120.400 0.154 0.000 2.352 1225 K HA 0.377 4.695 4.320 -0.002 0.000 0.240 1225 K C 0.486 176.999 176.600 -0.146 0.000 1.017 1225 K CA -1.112 55.185 56.287 0.017 0.000 0.851 1225 K CB 1.947 34.505 32.500 0.096 0.000 1.261 1225 K HN 0.348 nan 8.250 nan 0.000 0.451 1226 K N 1.108 121.418 120.400 -0.150 0.000 2.026 1226 K HA -0.100 4.219 4.320 -0.002 0.000 0.208 1226 K C 0.643 177.277 176.600 0.058 0.000 1.048 1226 K CA 1.797 58.030 56.287 -0.090 0.000 0.929 1226 K CB -0.150 32.359 32.500 0.014 0.000 0.713 1226 K HN 0.853 nan 8.250 nan 0.000 0.439 1227 D N -1.683 118.726 120.400 0.016 0.000 2.865 1227 D HA 0.032 4.671 4.640 -0.002 0.000 0.343 1227 D C -0.994 175.226 176.300 -0.132 0.000 1.372 1227 D CA -0.474 53.505 54.000 -0.035 0.000 0.862 1227 D CB 0.171 40.970 40.800 -0.002 0.000 1.425 1227 D HN -0.285 nan 8.370 nan 0.000 0.501 1228 E N 0.035 120.068 120.200 -0.280 0.000 2.676 1228 E HA 0.187 4.536 4.350 -0.002 0.000 0.318 1228 E C 0.055 176.615 176.600 -0.067 0.000 1.514 1228 E CA 0.596 56.781 56.400 -0.359 0.000 1.667 1228 E CB 0.065 29.465 29.700 -0.499 0.000 1.336 1228 E HN 0.340 nan 8.360 nan 0.000 0.492 1229 E N -1.136 119.067 120.200 0.005 0.000 1.828 1229 E HA -0.057 4.291 4.350 -0.002 0.000 0.253 1229 E C -0.051 176.574 176.600 0.042 0.000 1.065 1229 E CA 0.704 57.126 56.400 0.036 0.000 1.718 1229 E CB -0.657 29.053 29.700 0.017 0.000 3.776 1229 E HN 0.255 nan 8.360 nan 0.000 0.951 1230 S N 1.136 116.854 115.700 0.030 0.000 2.553 1230 S HA -0.009 4.460 4.470 -0.002 0.000 0.293 1230 S C 1.014 175.640 174.600 0.042 0.000 1.296 1230 S CA 1.048 59.267 58.200 0.032 0.000 1.046 1230 S CB 0.513 63.730 63.200 0.028 0.000 0.810 1230 S HN 0.313 nan 8.310 nan 0.000 0.505 1231 T N -1.882 112.695 114.554 0.038 0.000 3.244 1231 T HA 0.189 4.537 4.350 -0.002 0.000 0.254 1231 T C 0.005 174.728 174.700 0.038 0.000 1.024 1231 T CA -0.380 61.746 62.100 0.044 0.000 0.920 1231 T CB -0.310 68.580 68.868 0.037 0.000 1.042 1231 T HN 0.683 nan 8.240 nan 0.000 0.572 1232 D N 2.796 123.214 120.400 0.030 0.000 2.422 1232 D HA 0.092 4.731 4.640 -0.002 0.000 0.227 1232 D C -0.339 175.967 176.300 0.010 0.000 1.190 1232 D CA -0.088 53.921 54.000 0.015 0.000 0.905 1232 D CB 0.489 41.292 40.800 0.006 0.000 1.034 1232 D HN 0.518 nan 8.370 nan 0.000 0.507 1233 E N 3.879 124.098 120.200 0.031 0.000 2.223 1233 E HA 0.085 4.433 4.350 -0.002 0.000 0.282 1233 E C 1.170 177.799 176.600 0.048 0.000 1.046 1233 E CA -0.644 55.789 56.400 0.055 0.000 0.857 1233 E CB 1.696 31.446 29.700 0.084 0.000 1.055 1233 E HN 0.440 nan 8.360 nan 0.000 0.409 1234 I N 1.690 122.293 120.570 0.055 0.000 2.480 1234 I HA 0.112 4.281 4.170 -0.002 0.000 0.251 1234 I C 1.166 177.414 176.117 0.218 0.000 1.124 1234 I CA 0.922 62.273 61.300 0.083 0.000 1.444 1234 I CB -1.157 36.843 38.000 -0.000 0.000 1.098 1234 I HN 0.683 nan 8.210 nan 0.000 0.428 1235 G N 0.590 109.537 108.800 0.246 0.000 2.356 1235 G HA2 0.268 4.227 3.960 -0.002 0.000 0.300 1235 G HA3 0.268 4.227 3.960 -0.002 0.000 0.300 1235 G C -1.493 173.606 174.900 0.331 0.000 1.331 1235 G CA -0.886 44.384 45.100 0.283 0.000 0.905 1235 G HN -0.005 nan 8.290 nan 0.000 0.587 1236 L N 0.225 121.667 121.223 0.366 0.000 2.331 1236 L HA 0.600 4.938 4.340 -0.002 0.000 0.275 1236 L C 0.422 177.553 176.870 0.434 0.000 1.022 1236 L CA -1.044 54.025 54.840 0.383 0.000 0.812 1236 L CB 1.864 44.137 42.059 0.357 0.000 1.257 1236 L HN 0.442 nan 8.230 nan 0.000 0.435 1237 I N 1.383 122.173 120.570 0.366 0.000 2.496 1237 I HA 0.388 4.557 4.170 -0.002 0.000 0.285 1237 I C 0.711 177.172 176.117 0.574 0.000 1.080 1237 I CA 0.393 61.910 61.300 0.361 0.000 1.404 1237 I CB 1.038 39.120 38.000 0.137 0.000 1.403 1237 I HN 0.761 nan 8.210 nan 0.000 0.539 1238 G N 6.582 115.732 108.800 0.584 0.000 2.753 1238 G HA2 0.647 4.605 3.960 -0.002 0.000 0.303 1238 G HA3 0.647 4.605 3.960 -0.002 0.000 0.303 1238 G C -1.298 173.936 174.900 0.557 0.000 1.242 1238 G CA -0.569 44.834 45.100 0.504 0.000 0.810 1238 G HN 0.393 nan 8.290 nan 0.000 0.515 1239 I N 0.271 121.073 120.570 0.386 0.000 2.608 1239 I HA 0.496 4.665 4.170 -0.002 0.000 0.295 1239 I C -0.927 175.433 176.117 0.406 0.000 1.049 1239 I CA -0.783 60.747 61.300 0.384 0.000 1.063 1239 I CB 2.445 40.559 38.000 0.190 0.000 1.248 1239 I HN 0.619 nan 8.210 nan 0.000 0.424 1240 H N 5.081 124.356 119.070 0.342 0.000 2.821 1240 H HA 0.522 5.077 4.556 -0.002 0.000 0.373 1240 H C -1.214 174.318 175.328 0.340 0.000 1.165 1240 H CA -0.917 55.277 56.048 0.243 0.000 1.154 1240 H CB 1.939 31.799 29.762 0.164 0.000 1.765 1240 H HN 0.488 nan 8.280 nan 0.000 0.549 1241 R N 3.741 123.881 120.500 -0.600 0.000 2.294 1241 R HA 0.391 4.729 4.340 -0.002 0.000 0.319 1241 R C -1.385 174.593 176.300 -0.538 0.000 0.984 1241 R CA -0.370 55.544 56.100 -0.310 0.000 0.861 1241 R CB 0.225 30.397 30.300 -0.213 0.000 1.104 1241 R HN 0.332 nan 8.270 nan 0.000 0.451 1242 F N 2.903 122.828 119.950 -0.040 0.000 2.556 1242 F HA 0.329 4.854 4.527 -0.002 0.000 0.327 1242 F C -0.464 175.520 175.800 0.307 0.000 1.059 1242 F CA -0.942 57.128 58.000 0.116 0.000 0.953 1242 F CB 1.077 40.160 39.000 0.139 0.000 1.227 1242 F HN 0.397 nan 8.300 nan 0.000 0.478 1243 Y N 1.425 121.904 120.300 0.298 0.000 2.323 1243 Y HA 0.515 5.064 4.550 -0.002 0.000 0.331 1243 Y C -0.770 175.137 175.900 0.012 0.000 1.092 1243 Y CA -0.732 57.364 58.100 -0.006 0.000 1.150 1243 Y CB 0.960 39.367 38.460 -0.087 0.000 1.200 1243 Y HN 0.618 nan 8.280 nan 0.000 0.472 1244 E N 3.213 122.970 120.200 -0.739 0.000 2.224 1244 E HA 0.347 4.696 4.350 -0.002 0.000 0.265 1244 E C -1.489 174.693 176.600 -0.697 0.000 0.878 1244 E CA -0.753 55.346 56.400 -0.501 0.000 0.759 1244 E CB 1.859 31.451 29.700 -0.181 0.000 1.164 1244 E HN 0.458 nan 8.360 nan 0.000 0.414 1245 S N 2.321 117.772 115.700 -0.414 0.000 2.745 1245 S HA 0.641 5.110 4.470 -0.002 0.000 0.283 1245 S C -0.438 174.111 174.600 -0.085 0.000 1.170 1245 S CA -0.473 57.580 58.200 -0.244 0.000 1.119 1245 S CB 0.650 63.782 63.200 -0.114 0.000 1.035 1245 S HN 0.615 nan 8.310 nan 0.000 0.483 1246 G N 2.430 111.198 108.800 -0.053 0.000 2.735 1246 G HA2 0.494 4.453 3.960 -0.002 0.000 0.301 1246 G HA3 0.494 4.453 3.960 -0.002 0.000 0.301 1246 G C 1.025 175.901 174.900 -0.041 0.000 1.279 1246 G CA -0.840 44.246 45.100 -0.024 0.000 1.019 1246 G HN 0.877 nan 8.290 nan 0.000 0.497 1247 I N -1.999 118.543 120.570 -0.047 0.000 2.657 1247 I HA -0.063 4.105 4.170 -0.002 0.000 0.261 1247 I C 1.122 177.164 176.117 -0.126 0.000 1.212 1247 I CA 0.987 62.246 61.300 -0.067 0.000 1.453 1247 I CB -0.411 37.556 38.000 -0.056 0.000 1.092 1247 I HN 0.137 nan 8.210 nan 0.000 0.452 1248 V N -0.583 119.212 119.914 -0.199 0.000 3.058 1248 V HA 0.271 4.389 4.120 -0.002 0.000 0.233 1248 V C 0.430 176.225 176.094 -0.498 0.000 1.255 1248 V CA 0.206 62.254 62.300 -0.420 0.000 1.267 1248 V CB 0.041 31.460 31.823 -0.672 0.000 1.049 1248 V HN 0.168 nan 8.190 nan 0.000 0.486 1249 F N 0.815 120.739 119.950 -0.043 0.000 2.436 1249 F HA 0.592 5.118 4.527 -0.002 0.000 0.340 1249 F C 0.169 175.903 175.800 -0.109 0.000 1.113 1249 F CA -0.373 57.591 58.000 -0.060 0.000 1.022 1249 F CB 1.605 40.573 39.000 -0.054 0.000 1.128 1249 F HN -0.039 nan 8.300 nan 0.000 0.466 1250 E N 4.435 124.689 120.200 0.090 0.000 2.235 1250 E HA 0.377 4.726 4.350 -0.002 0.000 0.252 1250 E C -1.262 175.269 176.600 -0.114 0.000 0.886 1250 E CA -0.297 56.047 56.400 -0.094 0.000 0.767 1250 E CB 1.122 30.806 29.700 -0.025 0.000 1.205 1250 E HN 0.875 nan 8.360 nan 0.000 0.421 1251 E N 2.245 122.269 120.200 -0.293 0.000 2.415 1251 E HA 0.288 4.637 4.350 -0.002 0.000 0.271 1251 E C -1.398 175.006 176.600 -0.327 0.000 1.094 1251 E CA -0.880 55.398 56.400 -0.203 0.000 0.881 1251 E CB 0.758 30.427 29.700 -0.051 0.000 1.581 1251 E HN 0.183 nan 8.360 nan 0.000 0.460 1252 Y N 0.122 120.447 120.300 0.042 0.000 2.409 1252 Y HA 0.600 5.148 4.550 -0.002 0.000 0.339 1252 Y C -0.119 175.806 175.900 0.042 0.000 1.033 1252 Y CA -0.560 57.593 58.100 0.087 0.000 1.094 1252 Y CB 2.167 40.691 38.460 0.107 0.000 1.210 1252 Y HN 0.238 nan 8.280 nan 0.000 0.456 1253 K N 2.206 122.766 120.400 0.267 0.000 2.523 1253 K HA 0.305 4.624 4.320 -0.002 0.000 0.257 1253 K C -1.885 174.785 176.600 0.116 0.000 0.932 1253 K CA -0.956 55.380 56.287 0.080 0.000 0.812 1253 K CB 2.268 34.750 32.500 -0.030 0.000 1.326 1253 K HN 0.615 nan 8.250 nan 0.000 0.433 1254 D N 1.731 122.066 120.400 -0.108 0.000 2.175 1254 D HA 0.337 4.976 4.640 -0.002 0.000 0.248 1254 D C -0.722 175.449 176.300 -0.216 0.000 1.047 1254 D CA 0.056 54.077 54.000 0.034 0.000 0.883 1254 D CB 1.021 41.836 40.800 0.025 0.000 1.180 1254 D HN 0.262 nan 8.370 nan 0.000 0.438 1255 Y N -0.071 120.367 120.300 0.229 0.000 2.545 1255 Y HA 0.254 4.803 4.550 -0.002 0.000 0.348 1255 Y C 0.054 176.180 175.900 0.377 0.000 1.002 1255 Y CA -1.329 56.885 58.100 0.190 0.000 1.039 1255 Y CB 1.045 39.482 38.460 -0.038 0.000 1.271 1255 Y HN 0.199 nan 8.280 nan 0.000 0.467 1256 F N 3.002 123.143 119.950 0.319 0.000 2.506 1256 F HA 0.171 4.696 4.527 -0.002 0.000 0.353 1256 F C -0.145 175.860 175.800 0.342 0.000 1.194 1256 F CA -0.440 57.745 58.000 0.309 0.000 1.048 1256 F CB -0.921 38.206 39.000 0.212 0.000 1.160 1256 F HN 0.408 nan 8.300 nan 0.000 0.598 1257 C N 6.574 126.126 119.300 0.420 0.000 2.401 1257 C HA 0.651 5.110 4.460 -0.002 0.000 0.356 1257 C C 0.278 175.396 174.990 0.213 0.000 1.192 1257 C CA -1.097 58.105 59.018 0.306 0.000 2.028 1257 C CB 1.674 29.679 27.740 0.441 0.000 2.344 1257 C HN 0.735 nan 8.230 nan 0.000 0.525 1258 I N 1.777 122.431 120.570 0.140 0.000 2.509 1258 I HA 0.607 4.776 4.170 -0.002 0.000 0.293 1258 I C -0.488 175.717 176.117 0.146 0.000 1.020 1258 I CA 0.534 61.928 61.300 0.157 0.000 1.088 1258 I CB 1.478 39.496 38.000 0.029 0.000 1.267 1258 I HN 0.700 nan 8.210 nan 0.000 0.430 1259 S N 5.532 121.383 115.700 0.253 0.000 2.556 1259 S HA 0.451 4.919 4.470 -0.002 0.000 0.271 1259 S C 0.132 174.866 174.600 0.222 0.000 1.135 1259 S CA -0.757 57.550 58.200 0.178 0.000 0.858 1259 S CB 2.043 65.217 63.200 -0.043 0.000 1.114 1259 S HN 0.747 nan 8.310 nan 0.000 0.468 1260 K N 1.375 121.891 120.400 0.192 0.000 2.186 1260 K HA -0.010 4.309 4.320 -0.002 0.000 0.202 1260 K C 1.514 178.170 176.600 0.093 0.000 1.052 1260 K CA 0.611 56.988 56.287 0.150 0.000 0.965 1260 K CB -0.208 32.363 32.500 0.118 0.000 0.746 1260 K HN 0.734 nan 8.250 nan 0.000 0.457 1261 W N 1.787 123.009 121.300 -0.130 0.000 2.292 1261 W HA -0.303 4.355 4.660 -0.002 0.000 0.304 1261 W C 1.499 177.920 176.519 -0.164 0.000 1.228 1261 W CA 1.822 59.047 57.345 -0.199 0.000 1.241 1261 W CB -0.346 28.911 29.460 -0.338 0.000 1.142 1261 W HN 0.067 nan 8.180 nan 0.000 0.520 1262 Y N -0.227 120.102 120.300 0.048 0.000 2.242 1262 Y HA -0.199 4.350 4.550 -0.002 0.000 0.291 1262 Y C 2.515 178.252 175.900 -0.272 0.000 1.137 1262 Y CA 1.462 59.470 58.100 -0.154 0.000 1.181 1262 Y CB -1.357 37.125 38.460 0.036 0.000 0.989 1262 Y HN -0.069 nan 8.280 nan 0.000 0.527 1263 L N 0.512 121.717 121.223 -0.029 0.000 2.034 1263 L HA -0.358 3.981 4.340 -0.002 0.000 0.217 1263 L C 2.391 179.145 176.870 -0.193 0.000 1.077 1263 L CA 2.492 57.269 54.840 -0.105 0.000 0.769 1263 L CB -0.688 41.352 42.059 -0.031 0.000 0.890 1263 L HN 0.347 nan 8.230 nan 0.000 0.435 1264 K N -1.252 119.002 120.400 -0.244 0.000 2.243 1264 K HA -0.063 4.256 4.320 -0.002 0.000 0.201 1264 K C 1.712 178.127 176.600 -0.308 0.000 1.051 1264 K CA 0.555 56.693 56.287 -0.249 0.000 0.970 1264 K CB -0.083 32.269 32.500 -0.247 0.000 0.755 1264 K HN 0.165 nan 8.250 nan 0.000 0.465 1265 E N 1.555 121.488 120.200 -0.444 0.000 2.106 1265 E HA -0.115 4.234 4.350 -0.002 0.000 0.192 1265 E C 2.231 178.649 176.600 -0.302 0.000 0.984 1265 E CA 1.597 57.731 56.400 -0.443 0.000 0.806 1265 E CB -0.078 29.240 29.700 -0.637 0.000 0.750 1265 E HN 0.395 nan 8.360 nan 0.000 0.458 1266 V N -1.007 118.745 119.914 -0.271 0.000 3.078 1266 V HA -0.079 4.040 4.120 -0.002 0.000 0.265 1266 V C 1.699 177.778 176.094 -0.025 0.000 1.122 1266 V CA 1.238 63.438 62.300 -0.166 0.000 1.141 1266 V CB -0.519 31.036 31.823 -0.446 0.000 0.735 1266 V HN 0.037 nan 8.190 nan 0.000 0.498 1267 K N 0.197 120.543 120.400 -0.091 0.000 2.400 1267 K HA 0.178 4.497 4.320 -0.002 0.000 0.194 1267 K C 0.930 177.527 176.600 -0.005 0.000 1.033 1267 K CA -0.058 56.220 56.287 -0.016 0.000 1.021 1267 K CB 0.092 32.566 32.500 -0.044 0.000 0.808 1267 K HN 0.511 nan 8.250 nan 0.000 0.505 1268 R N 1.329 121.799 120.500 -0.051 0.000 2.707 1268 R HA 0.161 4.500 4.340 -0.002 0.000 0.270 1268 R C -0.099 176.202 176.300 0.001 0.000 1.083 1268 R CA 0.127 56.199 56.100 -0.047 0.000 1.182 1268 R CB 0.450 30.692 30.300 -0.097 0.000 1.084 1268 R HN -0.196 nan 8.270 nan 0.000 0.528 1269 K N 2.209 122.611 120.400 0.002 0.000 2.427 1269 K HA 0.361 4.680 4.320 -0.002 0.000 0.252 1269 K C -2.160 174.445 176.600 0.008 0.000 0.931 1269 K CA -1.699 54.604 56.287 0.027 0.000 0.793 1269 K CB 1.674 34.193 32.500 0.032 0.000 1.211 1269 K HN 0.591 nan 8.250 nan 0.000 0.426 1270 P HA 0.133 nan 4.420 nan 0.000 0.274 1270 P C -0.614 176.719 177.300 0.055 0.000 1.237 1270 P CA -0.423 62.706 63.100 0.049 0.000 0.793 1270 P CB 0.434 32.158 31.700 0.041 0.000 0.977 1271 Y N 1.974 122.273 120.300 -0.002 0.000 2.729 1271 Y HA -0.053 4.496 4.550 -0.002 0.000 0.331 1271 Y C 0.891 176.785 175.900 -0.009 0.000 1.208 1271 Y CA 0.050 58.148 58.100 -0.003 0.000 1.521 1271 Y CB -0.117 38.350 38.460 0.013 0.000 1.233 1271 Y HN 0.309 nan 8.280 nan 0.000 0.539 1272 N N 6.733 125.026 118.700 -0.677 0.000 2.406 1272 N HA 0.010 4.749 4.740 -0.002 0.000 0.269 1272 N C 0.391 175.628 175.510 -0.455 0.000 1.210 1272 N CA 0.329 53.108 53.050 -0.453 0.000 0.966 1272 N CB 0.076 38.340 38.487 -0.372 0.000 1.293 1272 N HN 0.886 nan 8.380 nan 0.000 0.491 1273 L N 2.230 123.381 121.223 -0.119 0.000 2.362 1273 L HA -0.034 4.305 4.340 -0.002 0.000 0.219 1273 L C 1.788 178.634 176.870 -0.040 0.000 1.134 1273 L CA 0.716 55.575 54.840 0.031 0.000 0.807 1273 L CB -0.164 41.938 42.059 0.072 0.000 0.927 1273 L HN 0.262 nan 8.230 nan 0.000 0.447 1274 K N 0.553 120.905 120.400 -0.081 0.000 2.487 1274 K HA 0.196 4.515 4.320 -0.002 0.000 0.192 1274 K C 0.637 177.180 176.600 -0.095 0.000 1.027 1274 K CA 0.091 56.334 56.287 -0.075 0.000 1.054 1274 K CB -0.009 32.463 32.500 -0.047 0.000 0.824 1274 K HN 0.297 nan 8.250 nan 0.000 0.510 1275 L N 0.513 121.656 121.223 -0.133 0.000 2.485 1275 L HA 0.003 4.342 4.340 -0.002 0.000 0.275 1275 L C 1.664 178.402 176.870 -0.220 0.000 1.207 1275 L CA -0.054 54.717 54.840 -0.115 0.000 0.855 1275 L CB 0.552 42.501 42.059 -0.183 0.000 1.114 1275 L HN 0.183 nan 8.230 nan 0.000 0.485 1276 G N 1.094 109.788 108.800 -0.177 0.000 2.776 1276 G HA2 -0.138 3.820 3.960 -0.002 0.000 0.209 1276 G HA3 -0.138 3.820 3.960 -0.002 0.000 0.209 1276 G C 1.082 175.581 174.900 -0.669 0.000 1.145 1276 G CA 0.527 45.436 45.100 -0.318 0.000 0.791 1276 G HN 0.888 nan 8.290 nan 0.000 0.530 1277 C N -1.483 117.306 119.300 -0.852 0.000 2.906 1277 C HA 0.371 4.830 4.460 -0.002 0.000 0.274 1277 C C 0.562 175.310 174.990 -0.402 0.000 1.257 1277 C CA -1.737 56.854 59.018 -0.712 0.000 1.695 1277 C CB -1.609 25.616 27.740 -0.858 0.000 1.958 1277 C HN 0.224 nan 8.230 nan 0.000 0.619 1278 N N 0.865 119.285 118.700 -0.467 0.000 2.420 1278 N HA 0.436 5.175 4.740 -0.002 0.000 0.249 1278 N C -1.011 174.257 175.510 -0.402 0.000 1.033 1278 N CA -0.167 52.740 53.050 -0.238 0.000 0.944 1278 N CB 0.569 38.992 38.487 -0.107 0.000 1.113 1278 N HN 0.568 nan 8.380 nan 0.000 0.502 1279 W N 0.901 122.162 121.300 -0.065 0.000 2.762 1279 W HA 0.529 5.188 4.660 -0.002 0.000 0.355 1279 W C -0.166 176.292 176.519 -0.102 0.000 1.124 1279 W CA -0.590 56.663 57.345 -0.152 0.000 1.141 1279 W CB 1.108 30.385 29.460 -0.305 0.000 1.432 1279 W HN 0.155 nan 8.180 nan 0.000 0.586 1280 Q N 0.625 120.494 119.800 0.114 0.000 2.340 1280 Q HA 0.424 4.763 4.340 -0.002 0.000 0.276 1280 Q C -1.682 174.211 176.000 -0.179 0.000 1.048 1280 Q CA -0.891 54.970 55.803 0.097 0.000 0.832 1280 Q CB 2.592 31.525 28.738 0.324 0.000 1.373 1280 Q HN 0.267 nan 8.270 nan 0.000 0.409 1281 F N 1.995 121.898 119.950 -0.079 0.000 2.421 1281 F HA 0.538 5.063 4.527 -0.002 0.000 0.337 1281 F C 0.049 175.748 175.800 -0.168 0.000 1.105 1281 F CA -0.594 57.264 58.000 -0.237 0.000 1.049 1281 F CB 0.954 39.457 39.000 -0.828 0.000 1.139 1281 F HN 0.285 nan 8.300 nan 0.000 0.479 1282 I N 5.739 126.417 120.570 0.180 0.000 2.390 1282 I HA 0.324 4.493 4.170 -0.002 0.000 0.283 1282 I C -2.509 173.965 176.117 0.595 0.000 1.016 1282 I CA -1.939 59.431 61.300 0.118 0.000 1.151 1282 I CB 1.596 39.411 38.000 -0.309 0.000 1.293 1282 I HN 0.291 nan 8.210 nan 0.000 0.458 1283 P HA 0.286 nan 4.420 nan 0.000 0.285 1283 P C -1.021 176.644 177.300 0.608 0.000 1.280 1283 P CA -0.841 62.620 63.100 0.601 0.000 0.862 1283 P CB 1.199 33.166 31.700 0.445 0.000 1.153 1284 K N 1.170 121.749 120.400 0.298 0.000 2.469 1284 K HA 0.122 4.440 4.320 -0.002 0.000 0.274 1284 K C 0.241 176.974 176.600 0.221 0.000 0.983 1284 K CA 0.918 57.236 56.287 0.050 0.000 0.974 1284 K CB -0.111 32.289 32.500 -0.167 0.000 0.913 1284 K HN 0.575 nan 8.250 nan 0.000 0.493 1285 D N 1.013 121.553 120.400 0.234 0.000 2.931 1285 D HA -0.014 4.625 4.640 -0.002 0.000 0.215 1285 D C 0.639 176.972 176.300 0.054 0.000 1.297 1285 D CA -0.158 53.859 54.000 0.028 0.000 0.892 1285 D CB 1.130 41.692 40.800 -0.397 0.000 1.642 1285 D HN 0.573 nan 8.370 nan 0.000 0.560 1286 E N 1.700 121.933 120.200 0.055 0.000 2.273 1286 E HA -0.154 4.195 4.350 -0.002 0.000 0.198 1286 E C 1.415 178.128 176.600 0.189 0.000 1.002 1286 E CA 1.230 57.706 56.400 0.126 0.000 0.828 1286 E CB -0.142 29.629 29.700 0.118 0.000 0.747 1286 E HN 0.416 nan 8.360 nan 0.000 0.491 1287 G N 0.190 109.080 108.800 0.151 0.000 2.744 1287 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.211 1287 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.211 1287 G C -0.284 174.569 174.900 -0.079 0.000 1.143 1287 G CA -0.189 44.936 45.100 0.042 0.000 0.788 1287 G HN 0.317 nan 8.290 nan 0.000 0.534 1288 W N 2.375 123.538 121.300 -0.229 0.000 2.631 1288 W HA 0.471 5.130 4.660 -0.002 0.000 0.321 1288 W C -0.913 175.600 176.519 -0.010 0.000 1.004 1288 W CA -0.677 56.548 57.345 -0.200 0.000 1.291 1288 W CB 1.431 30.764 29.460 -0.212 0.000 1.300 1288 W HN 0.015 nan 8.180 nan 0.000 0.422 1289 T N 2.050 116.357 114.554 -0.412 0.000 2.841 1289 T HA 0.697 5.046 4.350 -0.002 0.000 0.283 1289 T C -0.440 174.043 174.700 -0.360 0.000 1.000 1289 T CA -0.527 61.479 62.100 -0.158 0.000 0.977 1289 T CB 2.858 71.666 68.868 -0.101 0.000 0.979 1289 T HN 0.544 nan 8.240 nan 0.000 0.446 1290 E N 0.000 120.170 120.200 -0.050 0.000 2.725 1290 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 1290 E CA 0.000 56.424 56.400 0.040 0.000 0.976 1290 E CB 0.000 29.788 29.700 0.147 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440