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 1oh7_1_A DATA FIRST_RESID 2 DATA SEQUENCE SAIENFDAHT PMMQQYLRLK AQHPEILLFY RMGDFYELFY DDAKRASQLL DATA SEQUENCE DISLTKRGAS AGEPIPMAGI PYHAVENYLA KLVNQGESVA ICEQIGDPAT DATA SEQUENCE SKGPVERKVV RIVTPGTISD EALLQERQDN LLAAIWQDSK GFGYATLDIS DATA SEQUENCE SGRFRLSEPA DRETMAAELQ RTNPAELLYA EDFAEMSLIE GRRGLRRRPL DATA SEQUENCE WEFEIDTARQ QLNLQFGTRD LVGFGVENAP RGLCAAGCLL QYAKDTQRTT DATA SEQUENCE LPHIRSITME REQDSIIMDA ATRRNLEITQ NLAGGAENTL ASVLDCTVTP DATA SEQUENCE MGSRMLKRWL HMPVRDTRVL LERQQTIGAL QDFTAGLQPV LRQVGDLERI DATA SEQUENCE LARLALRTAR PRDLARMRHA FQQLPELRAQ LETVDSAPVQ ALREKMGEFA DATA SEQUENCE ELRDLLERAI IDTPPVLVRD GGVIASGYNE ELDEWRALAD GATDYLERLE DATA SEQUENCE VRERERTGLD TLKVGFNAVH GYYIQISRGQ SHLAPINYMR RQTLKNAERY DATA SEQUENCE IIPELKEYED KVLTSKGKAL ALEKQLYEEL FDLLLPHLEA LQQSASALAE DATA SEQUENCE LDVLVNLAER AYTLNYTCPT FIDKPGIRIT EGRHPVVEQV LNEPFIANPL DATA SEQUENCE NLSPQRRMLI ITGPNMGGKS TYMRQTALIA LMAYIGSYVP AQKVEIGPID DATA SEQUENCE RIFTRVGXXX XXXXXXXXFM VEMTETANIL HNATEYSLVL MDEIGRGTST DATA SEQUENCE YDGLSLAWAC AENLANKIKA LTLFATHYFE LTQLPEKMEG VANVHLDALE DATA SEQUENCE HGDTIAFMHS VQDGAASKSY GLAVAALAGV PKEVIKRARQ KLRELESIS 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.603 174.600 0.005 0.000 1.055 2 S CA 0.000 58.206 58.200 0.011 0.000 1.107 2 S CB 0.000 63.206 63.200 0.010 0.000 0.593 3 A N 5.202 128.026 122.820 0.007 0.000 2.566 3 A HA 0.376 4.698 4.320 0.004 0.000 0.245 3 A C 0.460 178.035 177.584 -0.016 0.000 1.056 3 A CA 0.272 52.306 52.037 -0.005 0.000 0.757 3 A CB -0.364 18.635 19.000 -0.001 0.000 0.979 3 A HN 0.878 nan 8.150 nan 0.000 0.508 4 I N 2.373 122.927 120.570 -0.025 0.000 2.587 4 I HA 0.017 4.189 4.170 0.004 0.000 0.284 4 I C 0.715 176.789 176.117 -0.070 0.000 1.134 4 I CA 0.836 62.116 61.300 -0.034 0.000 1.410 4 I CB 0.474 38.458 38.000 -0.028 0.000 1.392 4 I HN 0.708 nan 8.210 nan 0.000 0.545 5 E N 5.958 126.112 120.200 -0.078 0.000 3.582 5 E HA 0.090 4.442 4.350 0.004 0.000 0.217 5 E C -0.602 175.907 176.600 -0.152 0.000 1.092 5 E CA -0.525 55.767 56.400 -0.180 0.000 1.365 5 E CB 0.208 29.866 29.700 -0.071 0.000 1.278 5 E HN 0.614 nan 8.360 nan 0.000 0.439 6 N N 0.259 118.899 118.700 -0.101 0.000 2.307 6 N HA -0.118 4.624 4.740 0.004 0.000 0.230 6 N C 0.798 176.306 175.510 -0.003 0.000 1.297 6 N CA -0.073 52.973 53.050 -0.007 0.000 0.884 6 N CB 0.724 39.222 38.487 0.018 0.000 1.115 6 N HN 0.088 nan 8.380 nan 0.000 0.436 7 F N 0.421 120.375 119.950 0.006 0.000 2.111 7 F HA -0.265 4.264 4.527 0.004 0.000 0.300 7 F C 1.529 177.347 175.800 0.030 0.000 1.088 7 F CA 2.048 60.087 58.000 0.064 0.000 1.243 7 F CB -0.073 38.956 39.000 0.049 0.000 0.996 7 F HN 0.470 nan 8.300 nan 0.000 0.483 8 D N -0.109 120.352 120.400 0.102 0.000 2.277 8 D HA -0.030 4.612 4.640 0.004 0.000 0.208 8 D C 2.272 178.516 176.300 -0.094 0.000 0.962 8 D CA 1.057 55.065 54.000 0.014 0.000 0.865 8 D CB -0.537 40.301 40.800 0.063 0.000 0.939 8 D HN 0.383 nan 8.370 nan 0.000 0.510 9 A N 0.770 123.481 122.820 -0.183 0.000 2.125 9 A HA -0.126 4.196 4.320 0.004 0.000 0.219 9 A C 0.871 178.282 177.584 -0.288 0.000 1.156 9 A CA 0.868 52.752 52.037 -0.254 0.000 0.671 9 A CB -0.372 18.429 19.000 -0.332 0.000 0.794 9 A HN 0.183 nan 8.150 nan 0.000 0.459 10 H N -0.019 118.967 119.070 -0.140 0.000 2.483 10 H HA 0.376 4.934 4.556 0.004 0.000 0.338 10 H C 0.616 175.836 175.328 -0.181 0.000 1.152 10 H CA 0.290 56.234 56.048 -0.174 0.000 1.264 10 H CB 0.887 30.501 29.762 -0.246 0.000 1.510 10 H HN 0.318 nan 8.280 nan 0.000 0.530 11 T N -0.574 113.983 114.554 0.006 0.000 2.828 11 T HA 0.095 4.448 4.350 0.004 0.000 0.290 11 T C -1.701 172.949 174.700 -0.083 0.000 1.019 11 T CA -1.634 60.436 62.100 -0.050 0.000 1.031 11 T CB 0.904 69.737 68.868 -0.059 0.000 1.001 11 T HN 0.228 nan 8.240 nan 0.000 0.531 12 P HA -0.159 nan 4.420 nan 0.000 0.216 12 P C 1.762 179.047 177.300 -0.025 0.000 1.150 12 P CA 1.186 64.263 63.100 -0.038 0.000 0.843 12 P CB -0.085 31.615 31.700 -0.000 0.000 0.787 13 M N -2.091 117.490 119.600 -0.032 0.000 2.123 13 M HA -0.117 4.365 4.480 0.004 0.000 0.263 13 M C 1.600 177.843 176.300 -0.096 0.000 1.069 13 M CA 1.994 57.289 55.300 -0.009 0.000 1.133 13 M CB -0.343 32.239 32.600 -0.031 0.000 1.356 13 M HN -0.178 nan 8.290 nan 0.000 0.415 14 M N 0.354 119.831 119.600 -0.206 0.000 2.254 14 M HA -0.092 4.390 4.480 0.004 0.000 0.265 14 M C 1.957 178.103 176.300 -0.257 0.000 1.066 14 M CA 1.513 56.626 55.300 -0.312 0.000 1.123 14 M CB -1.380 30.984 32.600 -0.394 0.000 1.388 14 M HN 0.410 nan 8.290 nan 0.000 0.425 15 Q N 0.025 119.687 119.800 -0.229 0.000 2.002 15 Q HA -0.259 4.083 4.340 0.004 0.000 0.204 15 Q C 2.147 178.133 176.000 -0.025 0.000 0.988 15 Q CA 2.110 57.764 55.803 -0.249 0.000 0.843 15 Q CB -0.304 28.173 28.738 -0.436 0.000 0.908 15 Q HN 0.582 nan 8.270 nan 0.000 0.420 16 Q N -0.401 119.426 119.800 0.045 0.000 2.135 16 Q HA -0.251 4.091 4.340 0.004 0.000 0.204 16 Q C 1.906 178.007 176.000 0.167 0.000 0.981 16 Q CA 1.582 57.473 55.803 0.147 0.000 0.856 16 Q CB -0.204 28.657 28.738 0.204 0.000 0.902 16 Q HN 0.516 nan 8.270 nan 0.000 0.425 17 Y N 0.474 120.739 120.300 -0.059 0.000 2.293 17 Y HA -0.141 4.411 4.550 0.004 0.000 0.291 17 Y C 1.552 177.424 175.900 -0.047 0.000 1.137 17 Y CA 1.394 59.383 58.100 -0.185 0.000 1.202 17 Y CB 0.018 38.119 38.460 -0.599 0.000 0.990 17 Y HN 0.109 nan 8.280 nan 0.000 0.537 18 L N -0.296 120.894 121.223 -0.055 0.000 2.179 18 L HA -0.087 4.256 4.340 0.004 0.000 0.208 18 L C 2.515 179.357 176.870 -0.046 0.000 1.096 18 L CA 0.848 55.637 54.840 -0.085 0.000 0.779 18 L CB -0.440 41.600 42.059 -0.031 0.000 0.922 18 L HN 0.075 nan 8.230 nan 0.000 0.443 19 R N 0.274 120.793 120.500 0.030 0.000 2.081 19 R HA -0.131 4.211 4.340 0.004 0.000 0.235 19 R C 2.230 178.541 176.300 0.019 0.000 1.131 19 R CA 1.280 57.413 56.100 0.055 0.000 0.960 19 R CB -0.469 29.892 30.300 0.102 0.000 0.856 19 R HN 0.323 nan 8.270 nan 0.000 0.436 20 L N 0.462 121.694 121.223 0.014 0.000 2.131 20 L HA -0.082 4.261 4.340 0.004 0.000 0.206 20 L C 2.452 179.350 176.870 0.047 0.000 1.087 20 L CA 0.874 55.752 54.840 0.063 0.000 0.767 20 L CB -0.267 41.865 42.059 0.121 0.000 0.917 20 L HN 0.005 nan 8.230 nan 0.000 0.441 21 K N 1.135 121.441 120.400 -0.157 0.000 2.097 21 K HA -0.098 4.224 4.320 0.004 0.000 0.206 21 K C 1.886 178.486 176.600 0.001 0.000 1.049 21 K CA 1.545 57.742 56.287 -0.150 0.000 0.933 21 K CB -0.234 32.048 32.500 -0.364 0.000 0.717 21 K HN 0.207 nan 8.250 nan 0.000 0.442 22 A N 0.126 122.931 122.820 -0.025 0.000 2.206 22 A HA -0.026 4.296 4.320 0.004 0.000 0.211 22 A C 1.813 179.358 177.584 -0.064 0.000 1.158 22 A CA 0.673 52.698 52.037 -0.019 0.000 0.761 22 A CB -0.312 18.682 19.000 -0.011 0.000 0.801 22 A HN 0.460 nan 8.150 nan 0.000 0.473 23 Q N -0.660 119.065 119.800 -0.126 0.000 2.224 23 Q HA -0.119 4.223 4.340 0.004 0.000 0.203 23 Q C -0.448 175.138 176.000 -0.690 0.000 0.970 23 Q CA 1.145 56.689 55.803 -0.431 0.000 0.865 23 Q CB 0.032 28.396 28.738 -0.623 0.000 0.922 23 Q HN 0.953 nan 8.270 nan 0.000 0.445 24 H N -2.529 116.537 119.070 -0.007 0.000 2.562 24 H HA 0.158 4.716 4.556 0.004 0.000 0.230 24 H C -2.252 173.079 175.328 0.004 0.000 1.415 24 H CA -1.907 54.141 56.048 -0.000 0.000 1.454 24 H CB 0.300 30.054 29.762 -0.012 0.000 1.716 24 H HN 0.016 nan 8.280 nan 0.000 0.538 25 P HA -0.094 nan 4.420 nan 0.000 0.225 25 P C 0.897 178.243 177.300 0.078 0.000 1.156 25 P CA 0.933 64.077 63.100 0.073 0.000 0.787 25 P CB 0.776 32.503 31.700 0.045 0.000 0.802 26 E N -0.273 119.976 120.200 0.082 0.000 2.371 26 E HA 0.055 4.407 4.350 0.004 0.000 0.194 26 E C 1.021 177.664 176.600 0.072 0.000 1.012 26 E CA 0.114 56.558 56.400 0.072 0.000 0.860 26 E CB -0.035 29.705 29.700 0.067 0.000 0.811 26 E HN 0.399 nan 8.360 nan 0.000 0.502 27 I N -2.623 117.994 120.570 0.079 0.000 2.892 27 I HA 0.325 4.497 4.170 0.004 0.000 0.306 27 I C -0.527 175.614 176.117 0.040 0.000 1.078 27 I CA -1.239 60.091 61.300 0.050 0.000 1.032 27 I CB 1.467 39.486 38.000 0.031 0.000 1.229 27 I HN -0.284 nan 8.210 nan 0.000 0.435 28 L N 3.685 124.918 121.223 0.017 0.000 2.485 28 L HA 0.203 4.546 4.340 0.004 0.000 0.275 28 L C -0.424 176.446 176.870 -0.000 0.000 1.207 28 L CA 0.048 54.911 54.840 0.039 0.000 0.855 28 L CB 0.600 42.672 42.059 0.023 0.000 1.114 28 L HN 0.519 nan 8.230 nan 0.000 0.485 29 L N 3.389 124.682 121.223 0.116 0.000 2.376 29 L HA 0.526 4.868 4.340 0.004 0.000 0.275 29 L C -0.954 176.141 176.870 0.376 0.000 0.987 29 L CA -0.009 54.913 54.840 0.137 0.000 0.828 29 L CB 1.108 43.245 42.059 0.130 0.000 1.249 29 L HN 0.138 nan 8.230 nan 0.000 0.409 30 F N 4.966 124.940 119.950 0.040 0.000 2.411 30 F HA 0.319 4.849 4.527 0.004 0.000 0.350 30 F C -0.539 175.420 175.800 0.264 0.000 1.114 30 F CA -0.467 57.573 58.000 0.067 0.000 1.135 30 F CB 0.901 39.791 39.000 -0.184 0.000 1.120 30 F HN 0.427 nan 8.300 nan 0.000 0.495 31 Y N 4.133 124.648 120.300 0.358 0.000 2.376 31 Y HA 0.460 5.012 4.550 0.003 0.000 0.326 31 Y C 0.053 176.133 175.900 0.301 0.000 0.970 31 Y CA -1.337 56.980 58.100 0.360 0.000 1.248 31 Y CB 0.470 39.218 38.460 0.480 0.000 1.117 31 Y HN 0.515 nan 8.280 nan 0.000 0.476 32 R N 5.746 126.253 120.500 0.011 0.000 2.446 32 R HA 0.156 4.498 4.340 0.004 0.000 0.314 32 R C -1.121 175.060 176.300 -0.197 0.000 1.003 32 R CA 0.591 56.605 56.100 -0.144 0.000 1.018 32 R CB -0.094 30.092 30.300 -0.190 0.000 0.945 32 R HN 0.672 nan 8.270 nan 0.000 0.419 33 M N 5.193 124.770 119.600 -0.038 0.000 2.006 33 M HA 0.232 4.714 4.480 0.004 0.000 0.314 33 M C 0.819 177.131 176.300 0.019 0.000 0.926 33 M CA -0.041 55.282 55.300 0.038 0.000 0.906 33 M CB 1.035 33.736 32.600 0.168 0.000 1.422 33 M HN 0.882 nan 8.290 nan 0.000 0.397 34 G N 3.629 112.401 108.800 -0.046 0.000 2.629 34 G HA2 -0.339 3.623 3.960 0.004 0.000 0.313 34 G HA3 -0.339 3.623 3.960 0.004 0.000 0.313 34 G C 0.441 175.279 174.900 -0.104 0.000 1.217 34 G CA 0.909 45.977 45.100 -0.054 0.000 0.994 34 G HN 0.591 nan 8.290 nan 0.000 0.549 35 D N 0.284 120.688 120.400 0.008 0.000 2.349 35 D HA 0.346 4.989 4.640 0.004 0.000 0.224 35 D C 0.484 176.722 176.300 -0.103 0.000 1.029 35 D CA 0.305 54.290 54.000 -0.025 0.000 0.879 35 D CB -0.001 40.841 40.800 0.071 0.000 0.906 35 D HN 0.160 nan 8.370 nan 0.000 0.528 36 F N -0.308 119.587 119.950 -0.092 0.000 2.480 36 F HA 0.368 4.897 4.527 0.004 0.000 0.329 36 F C -0.348 175.342 175.800 -0.184 0.000 1.091 36 F CA -1.052 56.885 58.000 -0.106 0.000 0.972 36 F CB 1.082 40.036 39.000 -0.076 0.000 1.150 36 F HN -0.235 nan 8.300 nan 0.000 0.467 37 Y N 1.870 122.189 120.300 0.032 0.000 2.327 37 Y HA 0.416 4.968 4.550 0.004 0.000 0.336 37 Y C -0.016 175.772 175.900 -0.187 0.000 1.035 37 Y CA -0.553 57.494 58.100 -0.089 0.000 1.165 37 Y CB 0.878 39.192 38.460 -0.243 0.000 1.181 37 Y HN 0.519 nan 8.280 nan 0.000 0.494 38 E N 2.891 123.100 120.200 0.015 0.000 2.317 38 E HA 0.636 4.989 4.350 0.004 0.000 0.270 38 E C -1.553 174.796 176.600 -0.420 0.000 0.885 38 E CA -0.877 55.365 56.400 -0.263 0.000 0.760 38 E CB 2.308 31.817 29.700 -0.318 0.000 1.227 38 E HN 0.423 nan 8.360 nan 0.000 0.434 39 L N 1.984 122.836 121.223 -0.617 0.000 2.323 39 L HA 0.635 4.978 4.340 0.004 0.000 0.265 39 L C -1.059 175.308 176.870 -0.839 0.000 1.012 39 L CA -0.537 54.019 54.840 -0.474 0.000 0.820 39 L CB 0.924 42.893 42.059 -0.151 0.000 1.334 39 L HN 0.453 nan 8.230 nan 0.000 0.427 40 F N -0.614 119.266 119.950 -0.118 0.000 2.650 40 F HA 0.652 5.181 4.527 0.003 0.000 0.320 40 F C -0.092 175.668 175.800 -0.067 0.000 1.091 40 F CA -0.912 56.892 58.000 -0.328 0.000 0.962 40 F CB 0.814 39.330 39.000 -0.806 0.000 1.363 40 F HN 0.328 nan 8.300 nan 0.000 0.482 41 Y N -0.309 120.079 120.300 0.146 0.000 2.885 41 Y HA -0.398 4.154 4.550 0.004 0.000 0.466 41 Y C 1.816 177.766 175.900 0.084 0.000 1.189 41 Y CA 0.898 59.057 58.100 0.100 0.000 2.539 41 Y CB -1.286 37.244 38.460 0.117 0.000 1.224 41 Y HN 0.657 nan 8.280 nan 0.000 0.631 42 D N -0.005 120.565 120.400 0.284 0.000 2.178 42 D HA -0.133 4.509 4.640 0.004 0.000 0.201 42 D C 1.358 177.742 176.300 0.139 0.000 0.980 42 D CA 1.629 55.729 54.000 0.166 0.000 0.842 42 D CB -0.354 40.528 40.800 0.137 0.000 0.948 42 D HN 0.468 nan 8.370 nan 0.000 0.472 43 D N 1.213 121.717 120.400 0.174 0.000 2.133 43 D HA -0.144 4.498 4.640 0.004 0.000 0.195 43 D C 2.123 178.475 176.300 0.086 0.000 0.997 43 D CA 1.287 55.374 54.000 0.145 0.000 0.840 43 D CB -0.313 40.609 40.800 0.203 0.000 0.947 43 D HN 0.148 nan 8.370 nan 0.000 0.452 44 A N 0.579 123.428 122.820 0.049 0.000 1.933 44 A HA -0.200 4.122 4.320 0.004 0.000 0.218 44 A C 2.028 179.609 177.584 -0.004 0.000 1.175 44 A CA 1.564 53.585 52.037 -0.027 0.000 0.628 44 A CB -0.350 18.601 19.000 -0.082 0.000 0.814 44 A HN 0.168 nan 8.150 nan 0.000 0.444 45 K N -0.761 119.656 120.400 0.029 0.000 2.148 45 K HA -0.050 4.272 4.320 0.004 0.000 0.204 45 K C 2.317 178.937 176.600 0.033 0.000 1.050 45 K CA 1.261 57.566 56.287 0.029 0.000 0.942 45 K CB -0.109 32.418 32.500 0.046 0.000 0.724 45 K HN 0.370 nan 8.250 nan 0.000 0.446 46 R N 0.421 120.949 120.500 0.048 0.000 2.055 46 R HA -0.009 4.334 4.340 0.004 0.000 0.228 46 R C 2.413 178.742 176.300 0.048 0.000 1.143 46 R CA 1.193 57.324 56.100 0.051 0.000 0.945 46 R CB -0.373 29.965 30.300 0.064 0.000 0.841 46 R HN 0.176 nan 8.270 nan 0.000 0.429 47 A N 0.408 123.259 122.820 0.052 0.000 1.927 47 A HA -0.288 4.034 4.320 0.004 0.000 0.220 47 A C 2.128 179.721 177.584 0.014 0.000 1.185 47 A CA 2.316 54.380 52.037 0.046 0.000 0.639 47 A CB -0.907 18.110 19.000 0.030 0.000 0.820 47 A HN 0.444 nan 8.150 nan 0.000 0.451 48 S N -1.058 114.641 115.700 -0.001 0.000 2.368 48 S HA -0.249 4.223 4.470 0.004 0.000 0.225 48 S C 2.120 176.729 174.600 0.015 0.000 1.030 48 S CA 1.790 59.986 58.200 -0.007 0.000 0.999 48 S CB -0.366 62.826 63.200 -0.013 0.000 0.844 48 S HN 0.694 nan 8.310 nan 0.000 0.459 49 Q N -0.018 119.797 119.800 0.024 0.000 2.083 49 Q HA 0.103 4.445 4.340 0.004 0.000 0.198 49 Q C 2.283 178.307 176.000 0.041 0.000 0.969 49 Q CA 1.517 57.339 55.803 0.031 0.000 0.838 49 Q CB -0.167 28.590 28.738 0.031 0.000 0.900 49 Q HN 0.532 nan 8.270 nan 0.000 0.436 50 L N -0.203 121.050 121.223 0.050 0.000 2.049 50 L HA -0.092 4.251 4.340 0.004 0.000 0.203 50 L C 1.783 178.704 176.870 0.085 0.000 1.074 50 L CA 0.842 55.720 54.840 0.063 0.000 0.749 50 L CB -0.161 41.940 42.059 0.069 0.000 0.907 50 L HN 0.177 nan 8.230 nan 0.000 0.439 51 L N -0.653 120.630 121.223 0.100 0.000 2.612 51 L HA 0.080 4.422 4.340 0.004 0.000 0.230 51 L C 0.050 177.010 176.870 0.150 0.000 1.140 51 L CA -0.159 54.780 54.840 0.166 0.000 0.896 51 L CB -0.681 41.455 42.059 0.129 0.000 1.065 51 L HN 0.242 nan 8.230 nan 0.000 0.447 52 D N 1.990 122.442 120.400 0.086 0.000 2.735 52 D HA -0.208 4.434 4.640 0.004 0.000 0.235 52 D C -0.276 176.061 176.300 0.062 0.000 1.175 52 D CA 0.683 54.724 54.000 0.069 0.000 0.683 52 D CB -0.614 40.231 40.800 0.075 0.000 1.008 52 D HN 0.551 nan 8.370 nan 0.000 0.416 53 I N -3.602 116.979 120.570 0.018 0.000 3.042 53 I HA 0.578 4.750 4.170 0.004 0.000 0.310 53 I C 0.155 176.255 176.117 -0.028 0.000 1.117 53 I CA -1.171 60.120 61.300 -0.016 0.000 1.003 53 I CB 2.057 40.004 38.000 -0.088 0.000 1.228 53 I HN -0.091 nan 8.210 nan 0.000 0.443 54 S N 2.483 118.163 115.700 -0.034 0.000 2.549 54 S HA 0.311 4.783 4.470 0.004 0.000 0.283 54 S C -0.364 174.202 174.600 -0.056 0.000 1.320 54 S CA -0.397 57.781 58.200 -0.037 0.000 1.058 54 S CB 0.293 63.471 63.200 -0.036 0.000 0.882 54 S HN 0.443 nan 8.310 nan 0.000 0.498 55 L N 5.659 126.856 121.223 -0.044 0.000 2.260 55 L HA 0.549 4.891 4.340 0.004 0.000 0.289 55 L C 0.335 177.175 176.870 -0.051 0.000 1.057 55 L CA 0.610 55.420 54.840 -0.049 0.000 0.811 55 L CB 0.987 43.029 42.059 -0.029 0.000 1.184 55 L HN 0.675 nan 8.230 nan 0.000 0.429 56 T N 3.880 118.393 114.554 -0.069 0.000 2.676 56 T HA 0.660 5.012 4.350 0.004 0.000 0.269 56 T C -0.610 174.048 174.700 -0.069 0.000 0.952 56 T CA -0.627 61.433 62.100 -0.067 0.000 1.040 56 T CB 0.998 69.816 68.868 -0.082 0.000 1.352 56 T HN 0.651 nan 8.240 nan 0.000 0.554 57 K N 0.239 120.599 120.400 -0.067 0.000 2.261 57 K HA 0.665 4.987 4.320 0.004 0.000 0.242 57 K C -0.978 175.580 176.600 -0.070 0.000 1.083 57 K CA -1.089 55.158 56.287 -0.066 0.000 0.880 57 K CB 1.596 34.065 32.500 -0.053 0.000 1.353 57 K HN 0.571 nan 8.250 nan 0.000 0.486 58 R N 0.189 120.644 120.500 -0.075 0.000 2.549 58 R HA 0.229 4.572 4.340 0.004 0.000 0.291 58 R C -0.473 175.777 176.300 -0.083 0.000 1.164 58 R CA -0.253 55.800 56.100 -0.078 0.000 0.973 58 R CB 1.426 31.677 30.300 -0.082 0.000 1.210 58 R HN 0.903 nan 8.270 nan 0.000 0.422 59 G N 1.983 110.743 108.800 -0.065 0.000 2.568 59 G HA2 0.324 4.286 3.960 0.004 0.000 0.231 59 G HA3 0.324 4.286 3.960 0.004 0.000 0.231 59 G C -0.580 174.286 174.900 -0.057 0.000 1.261 59 G CA 0.310 45.377 45.100 -0.054 0.000 0.855 59 G HN 0.684 nan 8.290 nan 0.000 0.576 60 A N 1.280 124.074 122.820 -0.043 0.000 2.442 60 A HA 0.608 4.930 4.320 0.004 0.000 0.284 60 A C 0.798 178.366 177.584 -0.027 0.000 1.058 60 A CA 0.368 52.384 52.037 -0.036 0.000 0.738 60 A CB 1.503 20.485 19.000 -0.029 0.000 1.242 60 A HN 1.038 nan 8.150 nan 0.000 0.421 61 S N 1.294 116.978 115.700 -0.026 0.000 2.400 61 S HA 0.105 4.577 4.470 0.004 0.000 0.232 61 S C 0.895 175.483 174.600 -0.020 0.000 1.025 61 S CA 1.813 60.000 58.200 -0.022 0.000 0.993 61 S CB -0.162 63.024 63.200 -0.023 0.000 0.808 61 S HN 1.893 nan 8.310 nan 0.000 0.478 62 A N -0.521 122.286 122.820 -0.021 0.000 2.357 62 A HA 0.680 5.002 4.320 0.004 0.000 0.295 62 A C 0.570 178.143 177.584 -0.017 0.000 1.121 62 A CA -0.020 52.004 52.037 -0.022 0.000 0.742 62 A CB 0.656 19.638 19.000 -0.030 0.000 1.181 62 A HN 1.153 nan 8.150 nan 0.000 0.454 63 G N 1.916 110.709 108.800 -0.012 0.000 2.481 63 G HA2 -0.130 3.832 3.960 0.004 0.000 0.230 63 G HA3 -0.130 3.832 3.960 0.004 0.000 0.230 63 G C -0.253 174.651 174.900 0.006 0.000 1.210 63 G CA 0.045 45.142 45.100 -0.004 0.000 0.936 63 G HN 0.966 nan 8.290 nan 0.000 0.583 64 E N 2.047 122.260 120.200 0.022 0.000 2.354 64 E HA 0.448 4.801 4.350 0.004 0.000 0.269 64 E C -2.040 174.575 176.600 0.025 0.000 1.036 64 E CA -1.027 55.393 56.400 0.033 0.000 0.876 64 E CB 0.624 30.362 29.700 0.064 0.000 1.009 64 E HN 0.359 nan 8.360 nan 0.000 0.416 65 P HA 0.159 nan 4.420 nan 0.000 0.274 65 P C -0.733 176.542 177.300 -0.041 0.000 1.246 65 P CA -0.182 62.903 63.100 -0.024 0.000 0.795 65 P CB 0.589 32.273 31.700 -0.027 0.000 1.006 66 I N 2.498 122.995 120.570 -0.121 0.000 2.330 66 I HA 0.277 4.449 4.170 0.004 0.000 0.289 66 I C -2.231 173.766 176.117 -0.201 0.000 1.001 66 I CA -2.571 58.566 61.300 -0.270 0.000 1.193 66 I CB 1.584 39.309 38.000 -0.457 0.000 1.345 66 I HN 0.153 nan 8.210 nan 0.000 0.461 67 P HA 0.130 nan 4.420 nan 0.000 0.265 67 P C -0.717 176.519 177.300 -0.106 0.000 1.193 67 P CA 0.038 63.080 63.100 -0.096 0.000 0.765 67 P CB 0.526 32.207 31.700 -0.032 0.000 0.823 68 M N 2.347 121.887 119.600 -0.101 0.000 2.365 68 M HA 0.671 5.153 4.480 0.004 0.000 0.287 68 M C -1.952 174.233 176.300 -0.191 0.000 1.154 68 M CA -0.547 54.655 55.300 -0.163 0.000 0.941 68 M CB 2.476 35.022 32.600 -0.090 0.000 1.704 68 M HN 0.440 nan 8.290 nan 0.000 0.479 69 A N 2.337 124.999 122.820 -0.264 0.000 2.532 69 A HA 1.070 5.392 4.320 0.004 0.000 0.290 69 A C -0.712 176.704 177.584 -0.281 0.000 1.143 69 A CA -0.091 51.812 52.037 -0.223 0.000 0.728 69 A CB 2.087 20.985 19.000 -0.171 0.000 1.317 69 A HN 1.128 nan 8.150 nan 0.000 0.414 70 G N -0.923 107.737 108.800 -0.233 0.000 2.387 70 G HA2 0.639 4.602 3.960 0.004 0.000 0.294 70 G HA3 0.639 4.602 3.960 0.004 0.000 0.294 70 G C -1.319 173.529 174.900 -0.088 0.000 1.509 70 G CA 0.099 45.084 45.100 -0.191 0.000 0.806 70 G HN 1.769 nan 8.290 nan 0.000 0.546 71 I N -1.778 118.751 120.570 -0.069 0.000 2.865 71 I HA 0.782 4.955 4.170 0.004 0.000 0.302 71 I C -2.744 173.241 176.117 -0.220 0.000 1.140 71 I CA -2.987 58.224 61.300 -0.149 0.000 1.021 71 I CB 2.968 40.683 38.000 -0.475 0.000 1.233 71 I HN 0.334 nan 8.210 nan 0.000 0.427 72 P HA 0.078 nan 4.420 nan 0.000 0.274 72 P C -0.038 176.961 177.300 -0.500 0.000 1.231 72 P CA -0.016 62.558 63.100 -0.877 0.000 0.790 72 P CB 0.498 31.652 31.700 -0.911 0.000 0.951 73 Y N 1.618 121.686 120.300 -0.387 0.000 2.224 73 Y HA -0.219 4.333 4.550 0.004 0.000 0.289 73 Y C 2.131 178.026 175.900 -0.009 0.000 1.146 73 Y CA 1.593 59.589 58.100 -0.174 0.000 1.182 73 Y CB -1.957 36.336 38.460 -0.277 0.000 0.983 73 Y HN 0.469 nan 8.280 nan 0.000 0.524 74 H N -0.366 118.200 119.070 -0.840 0.000 2.562 74 H HA 0.461 5.020 4.556 0.004 0.000 0.272 74 H C 0.980 176.165 175.328 -0.239 0.000 1.019 74 H CA 0.687 56.350 56.048 -0.643 0.000 1.160 74 H CB -0.138 29.135 29.762 -0.815 0.000 1.334 74 H HN 0.539 nan 8.280 nan 0.000 0.611 75 A N 0.788 123.385 122.820 -0.371 0.000 2.545 75 A HA 0.276 4.598 4.320 0.004 0.000 0.263 75 A C 2.001 179.637 177.584 0.086 0.000 1.202 75 A CA 0.135 52.088 52.037 -0.141 0.000 0.959 75 A CB -0.070 18.848 19.000 -0.136 0.000 1.124 75 A HN 0.224 nan 8.150 nan 0.000 0.543 76 V N 0.122 120.107 119.914 0.118 0.000 2.295 76 V HA -0.237 3.885 4.120 0.004 0.000 0.246 76 V C 2.216 178.413 176.094 0.172 0.000 1.049 76 V CA 2.775 65.204 62.300 0.216 0.000 1.024 76 V CB -0.146 31.814 31.823 0.229 0.000 0.648 76 V HN 0.722 nan 8.190 nan 0.000 0.447 77 E N -0.399 119.850 120.200 0.082 0.000 2.110 77 E HA -0.254 4.098 4.350 0.004 0.000 0.193 77 E C 2.162 178.765 176.600 0.005 0.000 0.988 77 E CA 1.337 57.759 56.400 0.036 0.000 0.804 77 E CB -0.232 29.476 29.700 0.014 0.000 0.745 77 E HN 0.715 nan 8.360 nan 0.000 0.458 78 N N -0.395 118.278 118.700 -0.045 0.000 2.084 78 N HA -0.186 4.556 4.740 0.004 0.000 0.190 78 N C 1.685 177.092 175.510 -0.172 0.000 1.030 78 N CA 1.214 54.166 53.050 -0.164 0.000 0.849 78 N CB -0.096 38.205 38.487 -0.310 0.000 1.012 78 N HN 0.191 nan 8.380 nan 0.000 0.423 79 Y N 1.300 121.621 120.300 0.034 0.000 2.314 79 Y HA 0.028 4.580 4.550 0.003 0.000 0.293 79 Y C 2.319 178.268 175.900 0.081 0.000 1.129 79 Y CA 0.563 58.708 58.100 0.074 0.000 1.201 79 Y CB -0.281 38.249 38.460 0.117 0.000 0.999 79 Y HN 0.066 nan 8.280 nan 0.000 0.541 80 L N -1.086 120.247 121.223 0.184 0.000 2.141 80 L HA -0.208 4.135 4.340 0.004 0.000 0.209 80 L C 2.612 179.490 176.870 0.012 0.000 1.094 80 L CA 1.001 55.868 54.840 0.046 0.000 0.763 80 L CB -0.768 41.285 42.059 -0.009 0.000 0.908 80 L HN 0.224 nan 8.230 nan 0.000 0.437 81 A N 0.135 122.960 122.820 0.009 0.000 1.898 81 A HA -0.185 4.137 4.320 0.004 0.000 0.216 81 A C 2.308 179.892 177.584 -0.000 0.000 1.181 81 A CA 1.361 53.392 52.037 -0.010 0.000 0.620 81 A CB -0.297 18.686 19.000 -0.029 0.000 0.819 81 A HN 0.267 nan 8.150 nan 0.000 0.442 82 K N -0.488 119.921 120.400 0.014 0.000 2.152 82 K HA -0.075 4.247 4.320 0.004 0.000 0.206 82 K C 1.738 178.365 176.600 0.045 0.000 1.048 82 K CA 1.276 57.583 56.287 0.033 0.000 0.933 82 K CB -0.336 32.204 32.500 0.066 0.000 0.721 82 K HN 0.500 nan 8.250 nan 0.000 0.447 83 L N -0.138 121.114 121.223 0.048 0.000 2.249 83 L HA -0.046 4.296 4.340 0.004 0.000 0.207 83 L C 2.267 179.136 176.870 -0.002 0.000 1.090 83 L CA 0.227 55.083 54.840 0.026 0.000 0.802 83 L CB -0.046 42.016 42.059 0.005 0.000 0.947 83 L HN -0.082 nan 8.230 nan 0.000 0.453 84 V N 0.209 120.116 119.914 -0.012 0.000 2.788 84 V HA -0.091 4.032 4.120 0.004 0.000 0.251 84 V C 1.813 177.904 176.094 -0.006 0.000 1.068 84 V CA 1.052 63.342 62.300 -0.017 0.000 1.090 84 V CB -0.327 31.480 31.823 -0.027 0.000 0.710 84 V HN 0.479 nan 8.190 nan 0.000 0.467 85 N N 0.215 118.914 118.700 -0.002 0.000 2.520 85 N HA -0.102 4.641 4.740 0.004 0.000 0.185 85 N C 1.426 176.940 175.510 0.007 0.000 1.068 85 N CA 0.855 53.906 53.050 0.001 0.000 0.911 85 N CB -0.047 38.440 38.487 -0.000 0.000 0.961 85 N HN 0.620 nan 8.380 nan 0.000 0.446 86 Q N -1.099 118.707 119.800 0.010 0.000 2.217 86 Q HA 0.265 4.608 4.340 0.004 0.000 0.217 86 Q C 0.408 176.417 176.000 0.014 0.000 0.844 86 Q CA 0.076 55.888 55.803 0.015 0.000 0.957 86 Q CB 0.968 29.720 28.738 0.023 0.000 1.127 86 Q HN 0.309 nan 8.270 nan 0.000 0.503 87 G N 1.327 110.133 108.800 0.010 0.000 2.132 87 G HA2 -0.188 3.774 3.960 0.004 0.000 0.234 87 G HA3 -0.188 3.774 3.960 0.004 0.000 0.234 87 G C -0.240 174.667 174.900 0.012 0.000 0.989 87 G CA -0.244 44.863 45.100 0.012 0.000 0.676 87 G HN 0.185 nan 8.290 nan 0.000 0.522 88 E N 0.734 120.936 120.200 0.004 0.000 2.231 88 E HA 0.551 4.903 4.350 0.004 0.000 0.277 88 E C -0.029 176.553 176.600 -0.030 0.000 0.999 88 E CA -0.214 56.183 56.400 -0.005 0.000 0.827 88 E CB 1.602 31.299 29.700 -0.005 0.000 1.101 88 E HN 0.232 nan 8.360 nan 0.000 0.393 89 S N 0.912 116.594 115.700 -0.031 0.000 2.578 89 S HA 0.528 5.000 4.470 0.004 0.000 0.283 89 S C -0.138 174.379 174.600 -0.137 0.000 1.195 89 S CA -0.810 57.350 58.200 -0.066 0.000 1.050 89 S CB 1.414 64.602 63.200 -0.020 0.000 1.012 89 S HN 0.252 nan 8.310 nan 0.000 0.511 90 V N 1.436 121.213 119.914 -0.227 0.000 2.531 90 V HA 0.675 4.797 4.120 0.004 0.000 0.301 90 V C -0.004 175.891 176.094 -0.331 0.000 1.034 90 V CA -1.057 61.027 62.300 -0.359 0.000 0.865 90 V CB 1.442 32.852 31.823 -0.688 0.000 0.995 90 V HN 1.013 nan 8.190 nan 0.000 0.424 91 A N 6.102 128.730 122.820 -0.320 0.000 2.354 91 A HA 0.679 5.001 4.320 0.004 0.000 0.281 91 A C -0.191 177.236 177.584 -0.262 0.000 1.174 91 A CA -0.285 51.537 52.037 -0.359 0.000 0.828 91 A CB -0.059 18.558 19.000 -0.638 0.000 1.099 91 A HN 0.653 nan 8.150 nan 0.000 0.516 92 I N 2.650 123.094 120.570 -0.209 0.000 2.312 92 I HA 0.169 4.341 4.170 0.004 0.000 0.291 92 I C 0.211 176.332 176.117 0.006 0.000 1.031 92 I CA -0.169 61.064 61.300 -0.112 0.000 1.293 92 I CB 0.514 38.432 38.000 -0.136 0.000 1.403 92 I HN 0.645 nan 8.210 nan 0.000 0.484 93 C N 8.004 127.375 119.300 0.118 0.000 2.295 93 C HA 0.550 5.012 4.460 0.004 0.000 0.331 93 C C 0.216 175.298 174.990 0.154 0.000 1.280 93 C CA -0.203 58.891 59.018 0.126 0.000 1.746 93 C CB 0.360 28.208 27.740 0.179 0.000 2.328 93 C HN 0.792 nan 8.230 nan 0.000 0.521 94 E N 3.047 123.296 120.200 0.082 0.000 2.316 94 E HA 0.354 4.706 4.350 0.004 0.000 0.258 94 E C -1.071 175.509 176.600 -0.033 0.000 0.952 94 E CA -0.590 55.839 56.400 0.049 0.000 0.818 94 E CB 1.279 31.020 29.700 0.068 0.000 1.260 94 E HN 0.700 nan 8.360 nan 0.000 0.416 95 Q N 1.004 120.765 119.800 -0.065 0.000 2.296 95 Q HA 0.265 4.608 4.340 0.004 0.000 0.257 95 Q C 0.808 176.784 176.000 -0.041 0.000 0.942 95 Q CA -0.334 55.426 55.803 -0.071 0.000 0.939 95 Q CB 1.227 29.906 28.738 -0.099 0.000 1.198 95 Q HN 0.374 nan 8.270 nan 0.000 0.429 96 I N 1.087 121.644 120.570 -0.023 0.000 2.429 96 I HA 0.026 4.198 4.170 0.004 0.000 0.247 96 I C 1.382 177.490 176.117 -0.015 0.000 1.099 96 I CA 0.776 62.069 61.300 -0.012 0.000 1.422 96 I CB -1.290 36.711 38.000 0.001 0.000 1.112 96 I HN 0.659 nan 8.210 nan 0.000 0.430 97 G N 0.934 109.726 108.800 -0.014 0.000 2.447 97 G HA2 0.075 4.037 3.960 0.004 0.000 0.269 97 G HA3 0.075 4.037 3.960 0.004 0.000 0.269 97 G C -0.768 174.120 174.900 -0.021 0.000 1.455 97 G CA 0.216 45.309 45.100 -0.012 0.000 1.061 97 G HN 0.312 nan 8.290 nan 0.000 0.545 98 D N -1.370 119.020 120.400 -0.017 0.000 2.479 98 D HA 0.334 4.976 4.640 0.004 0.000 0.246 98 D C -1.918 174.371 176.300 -0.018 0.000 1.336 98 D CA -1.812 52.175 54.000 -0.022 0.000 0.967 98 D CB 1.804 42.593 40.800 -0.019 0.000 1.275 98 D HN -0.080 nan 8.370 nan 0.000 0.577 99 P HA -0.116 nan 4.420 nan 0.000 0.218 99 P C 1.009 178.302 177.300 -0.011 0.000 1.146 99 P CA 1.314 64.405 63.100 -0.016 0.000 0.820 99 P CB 0.318 32.005 31.700 -0.022 0.000 0.778 100 A N -0.828 121.984 122.820 -0.014 0.000 2.016 100 A HA -0.048 4.274 4.320 0.004 0.000 0.217 100 A C 1.630 179.210 177.584 -0.007 0.000 1.162 100 A CA 1.705 53.736 52.037 -0.011 0.000 0.662 100 A CB -1.358 17.633 19.000 -0.014 0.000 0.812 100 A HN 0.324 nan 8.150 nan 0.000 0.450 101 T N -2.867 111.683 114.554 -0.006 0.000 3.221 101 T HA 0.532 4.884 4.350 0.004 0.000 0.246 101 T C -0.154 174.547 174.700 0.001 0.000 0.952 101 T CA -0.106 61.993 62.100 -0.002 0.000 0.994 101 T CB -0.203 68.663 68.868 -0.003 0.000 1.127 101 T HN -0.016 nan 8.240 nan 0.000 0.549 102 S N 0.797 116.498 115.700 0.002 0.000 2.680 102 S HA 0.333 4.805 4.470 0.004 0.000 0.262 102 S C 0.759 175.365 174.600 0.009 0.000 1.138 102 S CA -0.954 57.250 58.200 0.007 0.000 1.072 102 S CB 1.821 65.025 63.200 0.006 0.000 1.097 102 S HN 0.601 nan 8.310 nan 0.000 0.468 103 K N 3.145 123.552 120.400 0.012 0.000 1.985 103 K HA 0.028 4.350 4.320 0.004 0.000 0.210 103 K C 1.196 177.805 176.600 0.016 0.000 1.047 103 K CA 1.658 57.953 56.287 0.013 0.000 0.932 103 K CB -0.521 31.988 32.500 0.015 0.000 0.716 103 K HN 0.644 nan 8.250 nan 0.000 0.439 104 G N 0.524 109.337 108.800 0.023 0.000 2.531 104 G HA2 0.293 4.255 3.960 0.004 0.000 0.253 104 G HA3 0.293 4.255 3.960 0.004 0.000 0.253 104 G C -2.313 172.605 174.900 0.031 0.000 1.439 104 G CA -1.058 44.059 45.100 0.028 0.000 1.056 104 G HN 0.206 nan 8.290 nan 0.000 0.555 105 P HA 0.153 nan 4.420 nan 0.000 0.264 105 P C 0.384 177.709 177.300 0.043 0.000 1.193 105 P CA -0.351 62.781 63.100 0.053 0.000 0.763 105 P CB 0.815 32.566 31.700 0.086 0.000 0.810 106 V N 2.976 122.906 119.914 0.026 0.000 3.230 106 V HA -0.113 4.009 4.120 0.004 0.000 0.302 106 V C 0.798 176.905 176.094 0.022 0.000 1.158 106 V CA 0.378 62.686 62.300 0.012 0.000 1.279 106 V CB 0.273 32.090 31.823 -0.010 0.000 0.983 106 V HN 0.558 nan 8.190 nan 0.000 0.506 107 E N 4.097 124.306 120.200 0.016 0.000 2.366 107 E HA 0.395 4.747 4.350 0.004 0.000 0.266 107 E C -0.569 176.039 176.600 0.013 0.000 1.051 107 E CA -0.447 55.968 56.400 0.026 0.000 0.884 107 E CB 0.620 30.333 29.700 0.022 0.000 1.006 107 E HN 0.592 nan 8.360 nan 0.000 0.417 108 R N 3.040 123.559 120.500 0.031 0.000 2.510 108 R HA 0.318 4.660 4.340 0.004 0.000 0.287 108 R C -0.958 175.372 176.300 0.051 0.000 1.084 108 R CA -0.658 55.453 56.100 0.018 0.000 0.934 108 R CB 1.840 32.135 30.300 -0.008 0.000 1.201 108 R HN 0.357 nan 8.270 nan 0.000 0.431 109 K N 1.297 121.722 120.400 0.042 0.000 2.267 109 K HA 0.424 4.746 4.320 0.004 0.000 0.246 109 K C -0.424 176.214 176.600 0.062 0.000 0.954 109 K CA -0.869 55.452 56.287 0.057 0.000 0.824 109 K CB 2.629 35.154 32.500 0.041 0.000 1.167 109 K HN 0.131 nan 8.250 nan 0.000 0.431 110 V N 3.498 123.460 119.914 0.079 0.000 2.439 110 V HA -0.035 4.087 4.120 0.004 0.000 0.271 110 V C 1.196 177.309 176.094 0.031 0.000 1.040 110 V CA 0.049 62.377 62.300 0.046 0.000 1.002 110 V CB 0.792 32.639 31.823 0.040 0.000 1.000 110 V HN 0.733 nan 8.190 nan 0.000 0.477 111 V N 2.783 122.705 119.914 0.015 0.000 3.174 111 V HA 0.337 4.459 4.120 0.004 0.000 0.254 111 V C 0.727 176.811 176.094 -0.017 0.000 1.120 111 V CA 0.572 62.876 62.300 0.008 0.000 1.114 111 V CB -0.478 31.358 31.823 0.021 0.000 0.756 111 V HN 0.839 nan 8.190 nan 0.000 0.467 112 R N -0.230 120.244 120.500 -0.043 0.000 2.629 112 R HA 0.675 5.017 4.340 0.004 0.000 0.266 112 R C -2.217 174.010 176.300 -0.122 0.000 1.051 112 R CA -0.779 55.276 56.100 -0.074 0.000 0.895 112 R CB 1.918 32.180 30.300 -0.063 0.000 1.246 112 R HN 0.247 nan 8.270 nan 0.000 0.459 113 I N 3.534 124.020 120.570 -0.139 0.000 2.447 113 I HA 0.327 4.499 4.170 0.004 0.000 0.287 113 I C -0.493 175.532 176.117 -0.153 0.000 1.023 113 I CA -1.244 59.952 61.300 -0.174 0.000 1.083 113 I CB 2.222 40.113 38.000 -0.182 0.000 1.245 113 I HN 0.267 nan 8.210 nan 0.000 0.434 114 V N 5.019 124.836 119.914 -0.162 0.000 2.432 114 V HA 0.455 4.577 4.120 0.004 0.000 0.271 114 V C 0.465 176.502 176.094 -0.095 0.000 1.046 114 V CA -0.095 62.129 62.300 -0.126 0.000 0.945 114 V CB 1.019 32.752 31.823 -0.150 0.000 0.992 114 V HN 0.912 nan 8.190 nan 0.000 0.471 115 T N 2.578 117.104 114.554 -0.047 0.000 2.896 115 T HA 0.497 4.849 4.350 0.004 0.000 0.297 115 T C -2.396 172.313 174.700 0.014 0.000 1.108 115 T CA -2.071 60.032 62.100 0.005 0.000 1.004 115 T CB 2.473 71.393 68.868 0.086 0.000 1.159 115 T HN 0.288 nan 8.240 nan 0.000 0.499 116 P HA 0.090 nan 4.420 nan 0.000 0.221 116 P C 1.449 178.756 177.300 0.013 0.000 1.145 116 P CA 1.043 64.149 63.100 0.010 0.000 0.795 116 P CB -0.172 31.535 31.700 0.012 0.000 0.775 117 G N -1.543 107.275 108.800 0.031 0.000 2.887 117 G HA2 -0.043 3.919 3.960 0.004 0.000 0.211 117 G HA3 -0.043 3.919 3.960 0.004 0.000 0.211 117 G C 0.909 175.822 174.900 0.022 0.000 1.152 117 G CA 0.685 45.799 45.100 0.023 0.000 0.769 117 G HN 0.363 nan 8.290 nan 0.000 0.541 118 T N -0.756 113.814 114.554 0.027 0.000 3.228 118 T HA 0.403 4.755 4.350 0.004 0.000 0.278 118 T C 0.805 175.496 174.700 -0.014 0.000 1.014 118 T CA -0.612 61.491 62.100 0.006 0.000 0.904 118 T CB -0.347 68.524 68.868 0.004 0.000 1.110 118 T HN 0.323 nan 8.240 nan 0.000 0.541 119 I N 0.100 120.662 120.570 -0.013 0.000 2.474 119 I HA 0.578 4.750 4.170 0.004 0.000 0.287 119 I C 0.727 176.835 176.117 -0.015 0.000 1.048 119 I CA -0.509 60.779 61.300 -0.021 0.000 1.383 119 I CB 1.455 39.442 38.000 -0.021 0.000 1.412 119 I HN 0.177 nan 8.210 nan 0.000 0.531 120 S N 1.962 117.651 115.700 -0.019 0.000 2.632 120 S HA 0.225 4.697 4.470 0.004 0.000 0.237 120 S C 0.151 174.740 174.600 -0.019 0.000 1.037 120 S CA -0.538 57.653 58.200 -0.015 0.000 1.009 120 S CB -0.067 63.122 63.200 -0.019 0.000 0.974 120 S HN 0.741 nan 8.310 nan 0.000 0.544 121 D N 2.488 122.876 120.400 -0.020 0.000 2.345 121 D HA 0.186 4.828 4.640 0.004 0.000 0.247 121 D C 0.937 177.228 176.300 -0.015 0.000 1.108 121 D CA -0.053 53.937 54.000 -0.016 0.000 0.894 121 D CB 1.171 41.962 40.800 -0.015 0.000 1.203 121 D HN 0.336 nan 8.370 nan 0.000 0.430 122 E N 1.548 121.740 120.200 -0.013 0.000 2.110 122 E HA -0.210 4.142 4.350 0.004 0.000 0.193 122 E C 1.641 178.232 176.600 -0.016 0.000 0.988 122 E CA 1.007 57.398 56.400 -0.014 0.000 0.804 122 E CB 0.153 29.844 29.700 -0.014 0.000 0.745 122 E HN 0.528 nan 8.360 nan 0.000 0.458 123 A N 0.389 123.199 122.820 -0.016 0.000 2.015 123 A HA -0.088 4.235 4.320 0.004 0.000 0.219 123 A C 1.908 179.480 177.584 -0.020 0.000 1.163 123 A CA 0.896 52.922 52.037 -0.019 0.000 0.646 123 A CB -0.257 18.730 19.000 -0.020 0.000 0.806 123 A HN 0.273 nan 8.150 nan 0.000 0.448 124 L N -1.005 120.207 121.223 -0.019 0.000 2.607 124 L HA 0.340 4.682 4.340 0.004 0.000 0.228 124 L C 0.088 176.949 176.870 -0.016 0.000 1.123 124 L CA -0.138 54.691 54.840 -0.019 0.000 0.890 124 L CB -0.149 41.898 42.059 -0.021 0.000 1.103 124 L HN 0.173 nan 8.230 nan 0.000 0.468 125 L N -0.229 120.985 121.223 -0.015 0.000 2.319 125 L HA 0.432 4.774 4.340 0.004 0.000 0.267 125 L C -0.240 176.622 176.870 -0.013 0.000 1.011 125 L CA -0.761 54.071 54.840 -0.013 0.000 0.818 125 L CB 1.753 43.805 42.059 -0.012 0.000 1.316 125 L HN 0.024 nan 8.230 nan 0.000 0.432 126 Q N 1.294 121.087 119.800 -0.012 0.000 2.274 126 Q HA 0.166 4.509 4.340 0.004 0.000 0.256 126 Q C 0.153 176.146 176.000 -0.012 0.000 0.927 126 Q CA -0.229 55.567 55.803 -0.012 0.000 0.939 126 Q CB 2.025 30.758 28.738 -0.010 0.000 1.201 126 Q HN 0.592 nan 8.270 nan 0.000 0.426 127 E N 2.080 122.272 120.200 -0.013 0.000 2.049 127 E HA -0.196 4.156 4.350 0.004 0.000 0.198 127 E C 0.685 177.276 176.600 -0.015 0.000 1.007 127 E CA 1.341 57.732 56.400 -0.015 0.000 0.809 127 E CB 0.251 29.941 29.700 -0.016 0.000 0.749 127 E HN 0.374 nan 8.360 nan 0.000 0.450 128 R N 0.231 120.722 120.500 -0.014 0.000 2.449 128 R HA 0.149 4.491 4.340 0.004 0.000 0.262 128 R C -0.172 176.120 176.300 -0.013 0.000 1.006 128 R CA 0.145 56.236 56.100 -0.015 0.000 1.104 128 R CB 0.368 30.660 30.300 -0.013 0.000 1.206 128 R HN 0.173 nan 8.270 nan 0.000 0.538 129 Q N 0.433 120.225 119.800 -0.012 0.000 2.268 129 Q HA 0.190 4.532 4.340 0.004 0.000 0.266 129 Q C -1.367 174.625 176.000 -0.012 0.000 1.006 129 Q CA -0.664 55.132 55.803 -0.012 0.000 0.824 129 Q CB 2.586 31.318 28.738 -0.010 0.000 1.306 129 Q HN 0.092 nan 8.270 nan 0.000 0.424 130 D N 1.618 122.010 120.400 -0.013 0.000 2.382 130 D HA 0.066 4.708 4.640 0.004 0.000 0.240 130 D C -0.400 175.894 176.300 -0.010 0.000 1.146 130 D CA 0.495 54.489 54.000 -0.010 0.000 0.897 130 D CB 0.783 41.578 40.800 -0.008 0.000 1.197 130 D HN 0.395 nan 8.370 nan 0.000 0.432 131 N N 1.564 120.260 118.700 -0.007 0.000 2.617 131 N HA 0.262 5.004 4.740 0.004 0.000 0.263 131 N C -1.300 174.206 175.510 -0.007 0.000 1.074 131 N CA -0.327 52.719 53.050 -0.007 0.000 0.841 131 N CB 0.529 39.011 38.487 -0.007 0.000 1.221 131 N HN 0.203 nan 8.380 nan 0.000 0.529 132 L N 1.830 123.051 121.223 -0.004 0.000 2.334 132 L HA 0.571 4.914 4.340 0.004 0.000 0.275 132 L C -0.459 176.402 176.870 -0.015 0.000 1.036 132 L CA -1.270 53.565 54.840 -0.008 0.000 0.807 132 L CB 1.390 43.451 42.059 0.005 0.000 1.231 132 L HN 0.342 nan 8.230 nan 0.000 0.438 133 L N 2.475 123.677 121.223 -0.034 0.000 2.275 133 L HA 0.739 5.081 4.340 0.004 0.000 0.288 133 L C -0.218 176.602 176.870 -0.083 0.000 1.046 133 L CA 0.112 54.921 54.840 -0.051 0.000 0.805 133 L CB 1.195 43.224 42.059 -0.050 0.000 1.193 133 L HN 0.689 nan 8.230 nan 0.000 0.426 134 A N 4.253 127.017 122.820 -0.094 0.000 2.374 134 A HA 0.964 5.286 4.320 0.004 0.000 0.317 134 A C -0.992 176.503 177.584 -0.149 0.000 1.094 134 A CA -0.179 51.754 52.037 -0.174 0.000 0.765 134 A CB 1.469 20.411 19.000 -0.097 0.000 1.268 134 A HN 1.046 nan 8.150 nan 0.000 0.438 135 A N 1.228 123.938 122.820 -0.183 0.000 2.365 135 A HA 0.794 5.116 4.320 0.004 0.000 0.318 135 A C -0.718 176.951 177.584 0.141 0.000 1.091 135 A CA -0.437 51.590 52.037 -0.016 0.000 0.763 135 A CB 0.800 19.762 19.000 -0.064 0.000 1.248 135 A HN 1.211 nan 8.150 nan 0.000 0.442 136 I N 2.194 122.968 120.570 0.341 0.000 2.828 136 I HA 0.821 4.994 4.170 0.004 0.000 0.302 136 I C -1.724 174.745 176.117 0.586 0.000 1.101 136 I CA -0.679 60.916 61.300 0.491 0.000 1.031 136 I CB 1.916 40.124 38.000 0.347 0.000 1.231 136 I HN 0.919 nan 8.210 nan 0.000 0.427 137 W N 6.875 128.421 121.300 0.409 0.000 3.275 137 W HA 0.433 5.091 4.660 -0.003 0.000 0.306 137 W C -2.549 174.203 176.519 0.388 0.000 1.259 137 W CA -0.732 56.794 57.345 0.301 0.000 1.194 137 W CB 1.141 30.550 29.460 -0.085 0.000 1.375 137 W HN 0.648 nan 8.180 nan 0.000 0.564 138 Q N 2.651 122.257 119.800 -0.324 0.000 2.345 138 Q HA 0.359 4.701 4.340 0.004 0.000 0.268 138 Q C -1.049 174.235 176.000 -1.194 0.000 1.054 138 Q CA -0.397 54.917 55.803 -0.816 0.000 0.835 138 Q CB 2.517 30.726 28.738 -0.882 0.000 1.339 138 Q HN 0.495 nan 8.270 nan 0.000 0.447 139 D N -0.172 119.625 120.400 -1.004 0.000 2.506 139 D HA 0.248 4.890 4.640 0.004 0.000 0.254 139 D C 0.143 176.127 176.300 -0.527 0.000 1.089 139 D CA -0.282 53.264 54.000 -0.757 0.000 1.050 139 D CB 1.985 42.474 40.800 -0.519 0.000 1.221 139 D HN 0.593 nan 8.370 nan 0.000 0.589 140 S N 0.037 115.527 115.700 -0.350 0.000 2.603 140 S HA -0.070 4.402 4.470 0.004 0.000 0.229 140 S C 0.762 175.221 174.600 -0.235 0.000 0.972 140 S CA 0.794 58.840 58.200 -0.257 0.000 0.935 140 S CB 0.111 63.212 63.200 -0.166 0.000 0.769 140 S HN 0.333 nan 8.310 nan 0.000 0.536 141 K N -0.097 120.146 120.400 -0.262 0.000 2.562 141 K HA 0.431 4.753 4.320 0.004 0.000 0.218 141 K C 0.769 177.224 176.600 -0.241 0.000 1.374 141 K CA 0.324 56.488 56.287 -0.204 0.000 0.996 141 K CB 1.087 33.514 32.500 -0.122 0.000 1.127 141 K HN 0.223 nan 8.250 nan 0.000 0.603 142 G N -0.158 108.412 108.800 -0.383 0.000 2.570 142 G HA2 0.575 4.537 3.960 0.004 0.000 0.310 142 G HA3 0.575 4.537 3.960 0.004 0.000 0.310 142 G C -1.749 172.738 174.900 -0.689 0.000 1.266 142 G CA -0.834 44.045 45.100 -0.367 0.000 0.825 142 G HN -0.043 nan 8.290 nan 0.000 0.483 143 F N -0.325 119.601 119.950 -0.039 0.000 2.577 143 F HA 0.723 5.253 4.527 0.005 0.000 0.318 143 F C 0.696 176.600 175.800 0.172 0.000 1.065 143 F CA -0.470 57.547 58.000 0.028 0.000 0.929 143 F CB 2.737 41.791 39.000 0.090 0.000 1.237 143 F HN 0.677 nan 8.300 nan 0.000 0.468 144 G N 0.719 109.840 108.800 0.534 0.000 2.461 144 G HA2 0.558 4.520 3.960 0.004 0.000 0.323 144 G HA3 0.558 4.520 3.960 0.004 0.000 0.323 144 G C -2.545 172.746 174.900 0.651 0.000 1.229 144 G CA -0.542 44.935 45.100 0.629 0.000 0.941 144 G HN 0.523 nan 8.290 nan 0.000 0.477 145 Y N 0.537 121.024 120.300 0.312 0.000 2.571 145 Y HA 0.728 5.279 4.550 0.001 0.000 0.341 145 Y C -0.675 175.319 175.900 0.157 0.000 1.076 145 Y CA -0.822 57.415 58.100 0.228 0.000 1.029 145 Y CB 2.487 41.048 38.460 0.168 0.000 1.308 145 Y HN 1.048 nan 8.280 nan 0.000 0.461 146 A N 2.249 124.716 122.820 -0.589 0.000 2.555 146 A HA 0.637 4.959 4.320 0.004 0.000 0.297 146 A C -1.277 176.061 177.584 -0.411 0.000 1.060 146 A CA -0.187 51.667 52.037 -0.306 0.000 0.710 146 A CB 0.831 19.785 19.000 -0.076 0.000 1.282 146 A HN 0.978 nan 8.150 nan 0.000 0.399 147 T N -0.312 114.145 114.554 -0.162 0.000 2.863 147 T HA 0.746 5.098 4.350 0.004 0.000 0.285 147 T C -0.802 173.951 174.700 0.087 0.000 1.009 147 T CA -0.649 61.401 62.100 -0.083 0.000 0.989 147 T CB 1.440 70.284 68.868 -0.040 0.000 1.004 147 T HN 1.691 nan 8.240 nan 0.000 0.455 148 L N 1.713 122.931 121.223 -0.010 0.000 2.408 148 L HA 0.790 5.133 4.340 0.004 0.000 0.268 148 L C -1.620 175.199 176.870 -0.084 0.000 0.986 148 L CA -0.434 54.352 54.840 -0.090 0.000 0.820 148 L CB 2.256 44.099 42.059 -0.360 0.000 1.303 148 L HN 0.911 nan 8.230 nan 0.000 0.411 149 D N 3.791 124.146 120.400 -0.075 0.000 2.453 149 D HA 0.195 4.837 4.640 0.004 0.000 0.238 149 D C 0.821 177.073 176.300 -0.081 0.000 1.088 149 D CA -0.235 53.733 54.000 -0.053 0.000 0.854 149 D CB 0.861 41.652 40.800 -0.016 0.000 1.076 149 D HN 0.634 nan 8.370 nan 0.000 0.533 150 I N 2.876 123.405 120.570 -0.069 0.000 2.454 150 I HA -0.161 4.011 4.170 0.004 0.000 0.254 150 I C 1.451 177.616 176.117 0.080 0.000 1.156 150 I CA 1.161 62.432 61.300 -0.047 0.000 1.433 150 I CB 0.177 38.167 38.000 -0.016 0.000 1.082 150 I HN 0.490 nan 8.210 nan 0.000 0.432 151 S N -1.487 114.243 115.700 0.051 0.000 2.685 151 S HA 0.139 4.611 4.470 0.004 0.000 0.240 151 S C 1.046 175.691 174.600 0.076 0.000 0.967 151 S CA 0.212 58.457 58.200 0.076 0.000 1.009 151 S CB -0.114 63.102 63.200 0.028 0.000 0.776 151 S HN 0.539 nan 8.310 nan 0.000 0.467 152 S N -1.256 114.480 115.700 0.061 0.000 2.456 152 S HA 0.473 4.945 4.470 0.004 0.000 0.282 152 S C 1.336 175.933 174.600 -0.004 0.000 1.057 152 S CA 0.558 58.792 58.200 0.057 0.000 1.321 152 S CB -0.185 63.035 63.200 0.034 0.000 1.117 152 S HN 1.575 nan 8.310 nan 0.000 0.584 153 G N 1.879 110.584 108.800 -0.158 0.000 2.176 153 G HA2 -0.235 3.727 3.960 0.004 0.000 0.232 153 G HA3 -0.235 3.727 3.960 0.004 0.000 0.232 153 G C -0.043 174.798 174.900 -0.097 0.000 0.986 153 G CA 0.038 44.966 45.100 -0.288 0.000 0.643 153 G HN 0.705 nan 8.290 nan 0.000 0.522 154 R N 0.199 120.679 120.500 -0.033 0.000 2.351 154 R HA 0.483 4.825 4.340 0.004 0.000 0.318 154 R C -1.054 175.307 176.300 0.102 0.000 1.055 154 R CA -0.364 55.761 56.100 0.042 0.000 0.968 154 R CB -0.101 30.226 30.300 0.045 0.000 0.974 154 R HN 0.051 nan 8.270 nan 0.000 0.439 155 F N 5.157 125.072 119.950 -0.057 0.000 2.507 155 F HA 0.524 5.056 4.527 0.008 0.000 0.328 155 F C -0.897 174.873 175.800 -0.050 0.000 1.136 155 F CA -1.162 56.804 58.000 -0.056 0.000 0.930 155 F CB 1.158 40.138 39.000 -0.035 0.000 1.166 155 F HN 0.479 nan 8.300 nan 0.000 0.436 156 R N 4.849 125.440 120.500 0.151 0.000 2.808 156 R HA 0.693 5.035 4.340 0.004 0.000 0.272 156 R C -1.806 174.447 176.300 -0.079 0.000 0.995 156 R CA -1.021 55.072 56.100 -0.012 0.000 0.917 156 R CB 2.537 32.867 30.300 0.050 0.000 1.217 156 R HN 0.836 nan 8.270 nan 0.000 0.471 157 L N 0.090 121.272 121.223 -0.067 0.000 2.472 157 L HA 0.707 5.049 4.340 0.004 0.000 0.260 157 L C -1.249 175.647 176.870 0.043 0.000 0.963 157 L CA -0.166 54.644 54.840 -0.049 0.000 0.829 157 L CB 2.147 44.127 42.059 -0.131 0.000 1.348 157 L HN 0.904 nan 8.230 nan 0.000 0.408 158 S N 1.739 117.508 115.700 0.115 0.000 2.587 158 S HA 0.499 4.971 4.470 0.004 0.000 0.269 158 S C -1.238 173.483 174.600 0.201 0.000 1.154 158 S CA -0.932 57.357 58.200 0.148 0.000 0.824 158 S CB 1.842 65.142 63.200 0.168 0.000 1.118 158 S HN 0.713 nan 8.310 nan 0.000 0.462 159 E N 1.108 121.410 120.200 0.169 0.000 3.651 159 E HA 0.321 4.673 4.350 0.004 0.000 0.220 159 E C -2.818 173.884 176.600 0.170 0.000 1.222 159 E CA -1.672 54.842 56.400 0.190 0.000 1.114 159 E CB 0.940 30.728 29.700 0.146 0.000 1.278 159 E HN 0.389 nan 8.360 nan 0.000 0.412 160 P HA -0.051 nan 4.420 nan 0.000 0.266 160 P C 0.342 177.765 177.300 0.204 0.000 1.195 160 P CA 0.216 63.398 63.100 0.137 0.000 0.768 160 P CB 1.003 32.735 31.700 0.053 0.000 0.838 161 A N 2.446 125.351 122.820 0.142 0.000 2.169 161 A HA 0.097 4.419 4.320 0.004 0.000 0.212 161 A C 0.306 177.996 177.584 0.177 0.000 1.153 161 A CA 1.113 53.229 52.037 0.131 0.000 0.756 161 A CB -0.633 18.413 19.000 0.077 0.000 0.813 161 A HN 0.696 nan 8.150 nan 0.000 0.471 162 D N -4.409 116.138 120.400 0.246 0.000 2.725 162 D HA 0.171 4.813 4.640 0.004 0.000 0.292 162 D C 0.524 176.941 176.300 0.195 0.000 1.288 162 D CA -0.688 53.477 54.000 0.275 0.000 0.784 162 D CB 0.200 41.080 40.800 0.132 0.000 1.308 162 D HN -0.147 nan 8.370 nan 0.000 0.429 163 R N 0.012 120.627 120.500 0.192 0.000 2.112 163 R HA -0.195 4.147 4.340 0.004 0.000 0.242 163 R C 1.363 177.587 176.300 -0.127 0.000 1.137 163 R CA 2.204 58.287 56.100 -0.028 0.000 0.944 163 R CB -0.191 30.138 30.300 0.049 0.000 0.857 163 R HN 0.652 nan 8.270 nan 0.000 0.435 164 E N -0.561 119.618 120.200 -0.035 0.000 2.072 164 E HA -0.097 4.255 4.350 0.004 0.000 0.190 164 E C 1.936 178.497 176.600 -0.065 0.000 0.982 164 E CA 1.516 57.894 56.400 -0.036 0.000 0.803 164 E CB -0.623 29.092 29.700 0.026 0.000 0.755 164 E HN 0.345 nan 8.360 nan 0.000 0.453 165 T N 1.540 116.065 114.554 -0.048 0.000 2.803 165 T HA -0.166 4.186 4.350 0.004 0.000 0.269 165 T C 1.779 176.380 174.700 -0.166 0.000 1.052 165 T CA 1.687 63.742 62.100 -0.075 0.000 1.136 165 T CB -0.182 68.674 68.868 -0.020 0.000 0.864 165 T HN 0.021 nan 8.240 nan 0.000 0.467 166 M N 1.805 121.231 119.600 -0.290 0.000 2.123 166 M HA 0.222 4.705 4.480 0.004 0.000 0.263 166 M C 2.434 178.506 176.300 -0.379 0.000 1.069 166 M CA 1.272 56.289 55.300 -0.471 0.000 1.133 166 M CB -1.043 30.930 32.600 -1.044 0.000 1.356 166 M HN 0.195 nan 8.290 nan 0.000 0.415 167 A N -0.044 122.601 122.820 -0.292 0.000 1.892 167 A HA -0.098 4.224 4.320 0.004 0.000 0.218 167 A C 2.386 179.876 177.584 -0.157 0.000 1.188 167 A CA 2.551 54.472 52.037 -0.193 0.000 0.631 167 A CB -1.592 17.328 19.000 -0.133 0.000 0.822 167 A HN 0.651 nan 8.150 nan 0.000 0.447 168 A N -0.887 121.852 122.820 -0.134 0.000 1.972 168 A HA -0.158 4.164 4.320 0.004 0.000 0.219 168 A C 1.978 179.495 177.584 -0.111 0.000 1.169 168 A CA 1.687 53.664 52.037 -0.099 0.000 0.635 168 A CB -0.400 18.548 19.000 -0.085 0.000 0.810 168 A HN 0.534 nan 8.150 nan 0.000 0.446 169 E N -0.063 120.031 120.200 -0.177 0.000 2.072 169 E HA -0.097 4.256 4.350 0.004 0.000 0.191 169 E C 2.050 178.496 176.600 -0.257 0.000 0.985 169 E CA 0.838 57.109 56.400 -0.216 0.000 0.801 169 E CB -0.325 29.175 29.700 -0.335 0.000 0.750 169 E HN 0.682 nan 8.360 nan 0.000 0.452 170 L N 0.641 121.677 121.223 -0.312 0.000 2.131 170 L HA -0.213 4.129 4.340 0.004 0.000 0.210 170 L C 2.767 179.578 176.870 -0.099 0.000 1.092 170 L CA 1.126 55.839 54.840 -0.212 0.000 0.759 170 L CB -0.313 41.631 42.059 -0.192 0.000 0.903 170 L HN 0.151 nan 8.230 nan 0.000 0.435 171 Q N 0.290 120.036 119.800 -0.089 0.000 2.046 171 Q HA -0.225 4.117 4.340 0.004 0.000 0.200 171 Q C 2.364 178.336 176.000 -0.048 0.000 0.975 171 Q CA 1.437 57.211 55.803 -0.049 0.000 0.836 171 Q CB 0.020 28.740 28.738 -0.030 0.000 0.896 171 Q HN 0.265 nan 8.270 nan 0.000 0.428 172 R N -0.438 120.037 120.500 -0.042 0.000 2.070 172 R HA -0.130 4.212 4.340 0.004 0.000 0.233 172 R C 2.288 178.527 176.300 -0.101 0.000 1.137 172 R CA 2.117 58.186 56.100 -0.052 0.000 0.945 172 R CB -0.433 29.879 30.300 0.020 0.000 0.845 172 R HN 0.513 nan 8.270 nan 0.000 0.430 173 T N -1.721 112.823 114.554 -0.016 0.000 2.904 173 T HA -0.118 4.234 4.350 0.004 0.000 0.267 173 T C 0.850 175.554 174.700 0.006 0.000 1.059 173 T CA 0.790 62.911 62.100 0.035 0.000 1.137 173 T CB -0.546 68.434 68.868 0.187 0.000 0.879 173 T HN 0.584 nan 8.240 nan 0.000 0.467 174 N N 2.274 120.971 118.700 -0.005 0.000 2.688 174 N HA -0.103 4.639 4.740 0.004 0.000 0.258 174 N C -2.472 173.045 175.510 0.013 0.000 1.016 174 N CA -0.186 52.858 53.050 -0.011 0.000 0.747 174 N CB -0.390 38.072 38.487 -0.042 0.000 0.895 174 N HN 0.378 nan 8.380 nan 0.000 0.543 175 P HA 0.040 nan 4.420 nan 0.000 0.266 175 P C 0.386 177.696 177.300 0.017 0.000 1.195 175 P CA 0.168 63.293 63.100 0.041 0.000 0.768 175 P CB 0.875 32.621 31.700 0.076 0.000 0.838 176 A N 2.241 125.066 122.820 0.007 0.000 2.119 176 A HA -0.037 4.285 4.320 0.004 0.000 0.216 176 A C 0.893 178.480 177.584 0.005 0.000 1.152 176 A CA 1.005 53.044 52.037 0.004 0.000 0.708 176 A CB -0.395 18.606 19.000 0.002 0.000 0.805 176 A HN 0.689 nan 8.150 nan 0.000 0.460 177 E N -0.771 119.429 120.200 -0.000 0.000 2.304 177 E HA 0.542 4.894 4.350 0.004 0.000 0.277 177 E C -1.992 174.590 176.600 -0.030 0.000 0.898 177 E CA -0.524 55.869 56.400 -0.012 0.000 0.764 177 E CB 1.339 31.032 29.700 -0.010 0.000 1.216 177 E HN 0.172 nan 8.360 nan 0.000 0.419 178 L N 6.576 127.785 121.223 -0.022 0.000 2.342 178 L HA 0.459 4.801 4.340 0.004 0.000 0.276 178 L C -1.134 175.731 176.870 -0.009 0.000 0.997 178 L CA -0.779 54.060 54.840 -0.001 0.000 0.838 178 L CB 0.867 42.947 42.059 0.035 0.000 1.224 178 L HN 0.585 nan 8.230 nan 0.000 0.416 179 L N 5.583 126.757 121.223 -0.082 0.000 2.305 179 L HA 0.403 4.745 4.340 0.004 0.000 0.281 179 L C -0.730 176.206 176.870 0.111 0.000 1.085 179 L CA -0.578 54.199 54.840 -0.105 0.000 0.813 179 L CB 0.604 42.499 42.059 -0.274 0.000 1.157 179 L HN 0.495 nan 8.230 nan 0.000 0.436 180 Y N 1.369 121.670 120.300 0.001 0.000 2.534 180 Y HA 0.805 5.357 4.550 0.002 0.000 0.345 180 Y C -0.479 175.383 175.900 -0.063 0.000 1.031 180 Y CA -1.386 56.673 58.100 -0.067 0.000 1.022 180 Y CB 1.259 39.521 38.460 -0.330 0.000 1.292 180 Y HN 0.613 nan 8.280 nan 0.000 0.459 181 A N 2.852 125.552 122.820 -0.200 0.000 2.425 181 A HA 0.211 4.533 4.320 0.004 0.000 0.249 181 A C 1.260 178.772 177.584 -0.121 0.000 1.084 181 A CA 0.036 51.829 52.037 -0.406 0.000 0.781 181 A CB 0.137 18.766 19.000 -0.618 0.000 1.019 181 A HN 1.052 nan 8.150 nan 0.000 0.490 182 E N 1.380 121.495 120.200 -0.141 0.000 2.219 182 E HA -0.261 4.092 4.350 0.004 0.000 0.198 182 E C 0.322 176.978 176.600 0.094 0.000 0.998 182 E CA 1.641 58.017 56.400 -0.040 0.000 0.818 182 E CB -0.127 29.555 29.700 -0.031 0.000 0.741 182 E HN 0.723 nan 8.360 nan 0.000 0.477 183 D N 0.060 120.519 120.400 0.099 0.000 2.388 183 D HA -0.042 4.600 4.640 0.004 0.000 0.221 183 D C -0.248 176.117 176.300 0.108 0.000 1.133 183 D CA -0.748 53.306 54.000 0.091 0.000 0.831 183 D CB -0.862 39.963 40.800 0.043 0.000 0.962 183 D HN 0.115 nan 8.370 nan 0.000 0.502 184 F N 1.596 121.579 119.950 0.056 0.000 2.571 184 F HA 0.290 4.819 4.527 0.003 0.000 0.390 184 F C 1.473 177.283 175.800 0.017 0.000 1.043 184 F CA -0.137 57.891 58.000 0.046 0.000 1.164 184 F CB 0.989 40.100 39.000 0.185 0.000 1.049 184 F HN 0.071 nan 8.300 nan 0.000 0.552 185 A N 4.497 127.105 122.820 -0.352 0.000 1.855 185 A HA -0.038 4.284 4.320 0.004 0.000 0.213 185 A C 1.190 178.648 177.584 -0.210 0.000 1.195 185 A CA 0.732 52.626 52.037 -0.237 0.000 0.610 185 A CB -0.317 18.527 19.000 -0.260 0.000 0.837 185 A HN 0.633 nan 8.150 nan 0.000 0.444 186 E N 0.984 120.944 120.200 -0.400 0.000 1.892 186 E HA 0.136 4.489 4.350 0.004 0.000 0.271 186 E C 0.308 176.954 176.600 0.076 0.000 1.146 186 E CA -0.203 56.108 56.400 -0.148 0.000 1.096 186 E CB 0.389 30.042 29.700 -0.078 0.000 1.155 186 E HN 0.397 nan 8.360 nan 0.000 0.458 187 M N 0.098 119.763 119.600 0.109 0.000 2.557 187 M HA -0.090 4.392 4.480 0.004 0.000 0.259 187 M C 1.903 178.244 176.300 0.068 0.000 1.086 187 M CA 0.730 56.115 55.300 0.141 0.000 1.096 187 M CB -0.799 31.842 32.600 0.068 0.000 1.424 187 M HN 0.149 nan 8.290 nan 0.000 0.488 188 S N -0.354 115.378 115.700 0.053 0.000 2.607 188 S HA 0.051 4.523 4.470 0.004 0.000 0.224 188 S C 1.608 176.218 174.600 0.017 0.000 0.969 188 S CA 0.182 58.396 58.200 0.024 0.000 0.927 188 S CB -0.550 62.660 63.200 0.017 0.000 0.772 188 S HN 0.518 nan 8.310 nan 0.000 0.533 189 L N -0.588 120.663 121.223 0.047 0.000 2.554 189 L HA 0.366 4.708 4.340 0.004 0.000 0.226 189 L C 1.562 178.411 176.870 -0.034 0.000 1.137 189 L CA 0.458 55.303 54.840 0.008 0.000 0.863 189 L CB -0.055 42.028 42.059 0.039 0.000 0.985 189 L HN 0.347 nan 8.230 nan 0.000 0.451 190 I N -2.961 117.579 120.570 -0.050 0.000 4.787 190 I HA 0.028 4.200 4.170 0.004 0.000 0.309 190 I C 0.591 176.626 176.117 -0.136 0.000 1.169 190 I CA -0.026 61.190 61.300 -0.140 0.000 1.360 190 I CB 0.666 38.485 38.000 -0.302 0.000 1.591 190 I HN -0.093 nan 8.210 nan 0.000 0.480 191 E N 1.944 122.081 120.200 -0.105 0.000 2.708 191 E HA 0.125 4.477 4.350 0.004 0.000 0.260 191 E C 0.974 177.552 176.600 -0.038 0.000 0.937 191 E CA 1.424 57.788 56.400 -0.061 0.000 0.953 191 E CB -0.057 29.627 29.700 -0.026 0.000 0.915 191 E HN 0.536 nan 8.360 nan 0.000 0.487 192 G N 3.505 112.290 108.800 -0.024 0.000 2.160 192 G HA2 -0.304 3.658 3.960 0.004 0.000 0.244 192 G HA3 -0.304 3.658 3.960 0.004 0.000 0.244 192 G C 0.164 175.054 174.900 -0.017 0.000 1.022 192 G CA 0.191 45.284 45.100 -0.012 0.000 0.741 192 G HN 0.416 nan 8.290 nan 0.000 0.508 193 R N 0.071 120.556 120.500 -0.026 0.000 2.589 193 R HA 0.439 4.781 4.340 0.004 0.000 0.293 193 R C 1.012 177.307 176.300 -0.008 0.000 0.963 193 R CA -0.888 55.199 56.100 -0.023 0.000 0.905 193 R CB 1.224 31.500 30.300 -0.040 0.000 1.144 193 R HN 0.542 nan 8.270 nan 0.000 0.459 194 R N 0.460 120.959 120.500 -0.002 0.000 2.643 194 R HA 0.188 4.530 4.340 0.004 0.000 0.270 194 R C 0.336 176.642 176.300 0.009 0.000 1.061 194 R CA 0.688 56.791 56.100 0.006 0.000 1.107 194 R CB 0.381 30.684 30.300 0.005 0.000 0.999 194 R HN 0.777 nan 8.270 nan 0.000 0.460 195 G N 1.877 110.687 108.800 0.016 0.000 2.198 195 G HA2 -0.264 3.698 3.960 0.004 0.000 0.257 195 G HA3 -0.264 3.698 3.960 0.004 0.000 0.257 195 G C -0.358 174.556 174.900 0.024 0.000 1.042 195 G CA 0.157 45.269 45.100 0.019 0.000 0.791 195 G HN 0.545 nan 8.290 nan 0.000 0.502 196 L N 0.505 121.752 121.223 0.041 0.000 2.380 196 L HA 0.688 5.030 4.340 0.004 0.000 0.273 196 L C 0.443 177.377 176.870 0.106 0.000 1.138 196 L CA -0.255 54.635 54.840 0.083 0.000 0.832 196 L CB 0.588 42.696 42.059 0.081 0.000 1.124 196 L HN 0.201 nan 8.230 nan 0.000 0.454 197 R N 5.098 125.664 120.500 0.110 0.000 2.545 197 R HA 0.269 4.611 4.340 0.004 0.000 0.289 197 R C -0.669 175.522 176.300 -0.182 0.000 1.327 197 R CA -0.655 55.435 56.100 -0.017 0.000 1.040 197 R CB 0.973 31.207 30.300 -0.109 0.000 1.176 197 R HN 0.630 nan 8.270 nan 0.000 0.518 198 R N 2.399 122.732 120.500 -0.277 0.000 2.484 198 R HA 0.085 4.427 4.340 0.004 0.000 0.293 198 R C -0.324 175.747 176.300 -0.381 0.000 1.023 198 R CA 0.236 55.928 56.100 -0.680 0.000 1.037 198 R CB 0.513 30.584 30.300 -0.382 0.000 0.951 198 R HN 0.243 nan 8.270 nan 0.000 0.418 199 R N 4.552 124.817 120.500 -0.392 0.000 2.778 199 R HA 0.433 4.775 4.340 0.004 0.000 0.277 199 R C -2.515 173.679 176.300 -0.177 0.000 0.977 199 R CA -2.965 53.016 56.100 -0.198 0.000 0.950 199 R CB 1.061 31.332 30.300 -0.048 0.000 1.165 199 R HN 0.512 nan 8.270 nan 0.000 0.474 200 P HA 0.141 nan 4.420 nan 0.000 0.271 200 P C 0.927 178.082 177.300 -0.241 0.000 1.216 200 P CA -0.250 62.702 63.100 -0.247 0.000 0.776 200 P CB 0.693 32.152 31.700 -0.401 0.000 0.881 201 L N 2.731 123.919 121.223 -0.058 0.000 2.187 201 L HA -0.150 4.192 4.340 0.004 0.000 0.213 201 L C 1.975 178.906 176.870 0.100 0.000 1.100 201 L CA 1.293 56.168 54.840 0.059 0.000 0.765 201 L CB -0.496 41.632 42.059 0.115 0.000 0.904 201 L HN 0.613 nan 8.230 nan 0.000 0.437 202 W N -0.211 121.153 121.300 0.106 0.000 2.392 202 W HA -0.165 4.497 4.660 0.003 0.000 0.279 202 W C 1.430 177.970 176.519 0.035 0.000 1.225 202 W CA 0.578 57.959 57.345 0.060 0.000 1.233 202 W CB -0.930 28.548 29.460 0.030 0.000 1.122 202 W HN 0.246 nan 8.180 nan 0.000 0.561 203 E N 0.141 120.069 120.200 -0.453 0.000 2.338 203 E HA -0.105 4.247 4.350 0.004 0.000 0.197 203 E C 1.071 177.419 176.600 -0.420 0.000 1.007 203 E CA 0.933 57.038 56.400 -0.491 0.000 0.849 203 E CB -0.375 28.861 29.700 -0.772 0.000 0.774 203 E HN 0.249 nan 8.360 nan 0.000 0.506 204 F N 0.721 120.491 119.950 -0.300 0.000 2.664 204 F HA 0.136 4.664 4.527 0.001 0.000 0.303 204 F C 0.763 176.328 175.800 -0.392 0.000 1.092 204 F CA -0.374 57.361 58.000 -0.441 0.000 1.305 204 F CB 0.258 38.858 39.000 -0.667 0.000 1.054 204 F HN -0.158 nan 8.300 nan 0.000 0.565 205 E N 1.298 121.476 120.200 -0.036 0.000 2.465 205 E HA -0.049 4.303 4.350 0.004 0.000 0.260 205 E C 1.263 177.835 176.600 -0.046 0.000 0.980 205 E CA 0.099 56.498 56.400 -0.002 0.000 0.927 205 E CB 0.475 30.227 29.700 0.088 0.000 0.934 205 E HN 0.259 nan 8.360 nan 0.000 0.459 206 I N 4.025 124.575 120.570 -0.033 0.000 2.315 206 I HA -0.186 3.986 4.170 0.004 0.000 0.248 206 I C 0.939 177.053 176.117 -0.005 0.000 1.117 206 I CA 1.512 62.796 61.300 -0.026 0.000 1.404 206 I CB -0.170 37.836 38.000 0.010 0.000 1.071 206 I HN 0.639 nan 8.210 nan 0.000 0.419 207 D N -0.329 120.078 120.400 0.012 0.000 2.144 207 D HA -0.133 4.510 4.640 0.004 0.000 0.200 207 D C 2.165 178.471 176.300 0.009 0.000 0.978 207 D CA 1.643 55.652 54.000 0.015 0.000 0.833 207 D CB -0.373 40.439 40.800 0.021 0.000 0.961 207 D HN 0.319 nan 8.370 nan 0.000 0.470 208 T N 0.426 114.987 114.554 0.011 0.000 2.867 208 T HA -0.040 4.312 4.350 0.004 0.000 0.268 208 T C 1.953 176.642 174.700 -0.018 0.000 1.057 208 T CA 1.167 63.272 62.100 0.009 0.000 1.136 208 T CB -0.065 68.829 68.868 0.044 0.000 0.874 208 T HN 0.180 nan 8.240 nan 0.000 0.466 209 A N 1.839 124.635 122.820 -0.040 0.000 1.897 209 A HA -0.033 4.289 4.320 0.004 0.000 0.215 209 A C 2.372 179.934 177.584 -0.037 0.000 1.181 209 A CA 0.950 52.949 52.037 -0.064 0.000 0.620 209 A CB -0.374 18.568 19.000 -0.097 0.000 0.821 209 A HN 0.355 nan 8.150 nan 0.000 0.443 210 R N -0.759 119.734 120.500 -0.013 0.000 2.091 210 R HA -0.153 4.189 4.340 0.004 0.000 0.238 210 R C 2.509 178.814 176.300 0.010 0.000 1.136 210 R CA 1.416 57.524 56.100 0.013 0.000 0.959 210 R CB -0.381 29.934 30.300 0.025 0.000 0.856 210 R HN 0.630 nan 8.270 nan 0.000 0.437 211 Q N 0.754 120.553 119.800 -0.001 0.000 1.942 211 Q HA -0.205 4.137 4.340 0.004 0.000 0.203 211 Q C 2.078 178.059 176.000 -0.032 0.000 0.987 211 Q CA 1.586 57.385 55.803 -0.007 0.000 0.844 211 Q CB -0.029 28.706 28.738 -0.004 0.000 0.911 211 Q HN 0.254 nan 8.270 nan 0.000 0.423 212 Q N 0.403 120.173 119.800 -0.050 0.000 2.082 212 Q HA -0.202 4.140 4.340 0.004 0.000 0.211 212 Q C 2.333 178.234 176.000 -0.164 0.000 1.002 212 Q CA 1.669 57.418 55.803 -0.090 0.000 0.868 212 Q CB -0.815 27.871 28.738 -0.088 0.000 0.931 212 Q HN 0.428 nan 8.270 nan 0.000 0.414 213 L N 0.532 121.653 121.223 -0.170 0.000 2.027 213 L HA -0.166 4.176 4.340 0.004 0.000 0.206 213 L C 2.194 178.909 176.870 -0.257 0.000 1.074 213 L CA 0.944 55.574 54.840 -0.349 0.000 0.745 213 L CB -0.588 41.389 42.059 -0.138 0.000 0.898 213 L HN 0.232 nan 8.230 nan 0.000 0.433 214 N N 0.417 119.123 118.700 0.011 0.000 2.043 214 N HA -0.228 4.514 4.740 0.004 0.000 0.193 214 N C 1.915 177.458 175.510 0.055 0.000 1.037 214 N CA 1.547 54.668 53.050 0.119 0.000 0.851 214 N CB -0.441 38.109 38.487 0.104 0.000 1.027 214 N HN 0.152 nan 8.380 nan 0.000 0.422 215 L N 1.984 123.200 121.223 -0.012 0.000 2.010 215 L HA -0.290 4.052 4.340 0.004 0.000 0.219 215 L C 2.578 179.424 176.870 -0.041 0.000 1.077 215 L CA 1.966 56.792 54.840 -0.022 0.000 0.773 215 L CB -0.958 41.074 42.059 -0.046 0.000 0.892 215 L HN 0.159 nan 8.230 nan 0.000 0.436 216 Q N -0.820 118.882 119.800 -0.164 0.000 2.020 216 Q HA -0.198 4.144 4.340 0.004 0.000 0.202 216 Q C 1.860 177.804 176.000 -0.093 0.000 0.982 216 Q CA 2.171 57.834 55.803 -0.234 0.000 0.838 216 Q CB -0.591 27.835 28.738 -0.519 0.000 0.899 216 Q HN 0.535 nan 8.270 nan 0.000 0.423 217 F N -0.153 119.837 119.950 0.067 0.000 2.748 217 F HA 0.313 4.841 4.527 0.002 0.000 0.299 217 F C 1.562 177.449 175.800 0.144 0.000 1.154 217 F CA 0.560 58.631 58.000 0.117 0.000 1.446 217 F CB -0.532 38.569 39.000 0.168 0.000 1.112 217 F HN 0.280 nan 8.300 nan 0.000 0.584 218 G N 1.522 110.467 108.800 0.241 0.000 2.272 218 G HA2 -0.231 3.731 3.960 0.004 0.000 0.280 218 G HA3 -0.231 3.731 3.960 0.004 0.000 0.280 218 G C 0.216 175.218 174.900 0.170 0.000 1.067 218 G CA 0.482 45.681 45.100 0.165 0.000 0.902 218 G HN 0.561 nan 8.290 nan 0.000 0.500 219 T N -3.934 110.742 114.554 0.203 0.000 2.926 219 T HA 0.786 5.138 4.350 0.004 0.000 0.289 219 T C 1.197 175.968 174.700 0.118 0.000 1.054 219 T CA -0.758 61.439 62.100 0.162 0.000 1.015 219 T CB 1.904 70.907 68.868 0.224 0.000 1.167 219 T HN 0.007 nan 8.240 nan 0.000 0.526 220 R N 0.732 121.280 120.500 0.081 0.000 2.090 220 R HA 0.215 4.557 4.340 0.004 0.000 0.219 220 R C 0.173 176.515 176.300 0.069 0.000 1.100 220 R CA 0.853 56.990 56.100 0.061 0.000 0.991 220 R CB -0.555 29.766 30.300 0.036 0.000 0.893 220 R HN 0.908 nan 8.270 nan 0.000 0.443 221 D N -1.275 119.169 120.400 0.073 0.000 2.559 221 D HA 0.156 4.798 4.640 0.004 0.000 0.250 221 D C 0.230 176.603 176.300 0.121 0.000 1.135 221 D CA -0.725 53.324 54.000 0.081 0.000 0.955 221 D CB 0.862 41.688 40.800 0.044 0.000 1.442 221 D HN -0.112 nan 8.370 nan 0.000 0.471 222 L N 1.060 122.369 121.223 0.144 0.000 2.791 222 L HA 0.180 4.522 4.340 0.004 0.000 0.239 222 L C 1.650 178.587 176.870 0.112 0.000 1.203 222 L CA -0.277 54.702 54.840 0.231 0.000 1.002 222 L CB 0.268 42.477 42.059 0.249 0.000 1.295 222 L HN 0.250 nan 8.230 nan 0.000 0.504 223 V N 0.744 120.669 119.914 0.018 0.000 2.343 223 V HA -0.222 3.900 4.120 0.004 0.000 0.247 223 V C 2.517 178.557 176.094 -0.090 0.000 1.051 223 V CA 2.288 64.574 62.300 -0.023 0.000 1.036 223 V CB -0.758 31.046 31.823 -0.031 0.000 0.654 223 V HN 0.658 nan 8.190 nan 0.000 0.451 224 G N -1.292 107.370 108.800 -0.231 0.000 2.509 224 G HA2 -0.179 3.783 3.960 0.004 0.000 0.218 224 G HA3 -0.179 3.783 3.960 0.004 0.000 0.218 224 G C 1.191 175.862 174.900 -0.383 0.000 1.124 224 G CA 0.364 45.246 45.100 -0.363 0.000 0.776 224 G HN 0.516 nan 8.290 nan 0.000 0.547 225 F N 0.231 120.125 119.950 -0.094 0.000 2.776 225 F HA 0.325 4.853 4.527 0.001 0.000 0.300 225 F C 1.992 177.735 175.800 -0.096 0.000 1.116 225 F CA -0.219 57.702 58.000 -0.133 0.000 1.375 225 F CB 0.123 38.998 39.000 -0.208 0.000 1.109 225 F HN 0.203 nan 8.300 nan 0.000 0.585 226 G N 0.820 109.665 108.800 0.075 0.000 2.182 226 G HA2 -0.220 3.743 3.960 0.004 0.000 0.248 226 G HA3 -0.220 3.743 3.960 0.004 0.000 0.248 226 G C 0.571 175.495 174.900 0.040 0.000 1.042 226 G CA 0.517 45.639 45.100 0.037 0.000 0.775 226 G HN 0.669 nan 8.290 nan 0.000 0.501 227 V N -3.677 116.273 119.914 0.061 0.000 3.337 227 V HA 0.568 4.690 4.120 0.004 0.000 0.307 227 V C 1.521 177.645 176.094 0.050 0.000 1.505 227 V CA 1.190 63.516 62.300 0.042 0.000 1.072 227 V CB 0.767 32.599 31.823 0.014 0.000 0.929 227 V HN 0.232 nan 8.190 nan 0.000 0.455 228 E N 1.933 122.167 120.200 0.055 0.000 2.072 228 E HA -0.179 4.173 4.350 0.004 0.000 0.191 228 E C 1.998 178.623 176.600 0.041 0.000 0.985 228 E CA 1.654 58.085 56.400 0.051 0.000 0.801 228 E CB -0.261 29.466 29.700 0.045 0.000 0.750 228 E HN 0.569 nan 8.360 nan 0.000 0.452 229 N N 0.001 118.722 118.700 0.035 0.000 2.242 229 N HA -0.219 4.523 4.740 0.004 0.000 0.193 229 N C -0.195 175.341 175.510 0.042 0.000 1.000 229 N CA 1.411 54.480 53.050 0.033 0.000 0.885 229 N CB -0.163 38.340 38.487 0.027 0.000 0.988 229 N HN 0.212 nan 8.380 nan 0.000 0.444 230 A N 0.100 122.948 122.820 0.047 0.000 3.218 230 A HA 0.328 4.651 4.320 0.004 0.000 0.321 230 A C -1.504 176.124 177.584 0.074 0.000 1.012 230 A CA -1.046 51.027 52.037 0.059 0.000 0.948 230 A CB 0.809 19.839 19.000 0.049 0.000 1.050 230 A HN 0.009 nan 8.150 nan 0.000 0.492 231 P HA -0.196 nan 4.420 nan 0.000 0.217 231 P C 1.535 178.928 177.300 0.156 0.000 1.150 231 P CA 0.916 64.074 63.100 0.096 0.000 0.832 231 P CB 0.208 31.966 31.700 0.098 0.000 0.787 232 R N -0.198 120.438 120.500 0.227 0.000 2.097 232 R HA -0.108 4.234 4.340 0.004 0.000 0.236 232 R C 2.684 179.205 176.300 0.368 0.000 1.135 232 R CA 2.116 58.463 56.100 0.412 0.000 0.934 232 R CB -1.457 29.048 30.300 0.341 0.000 0.846 232 R HN 0.218 nan 8.270 nan 0.000 0.431 233 G N 0.929 109.871 108.800 0.237 0.000 2.440 233 G HA2 -0.255 3.707 3.960 0.004 0.000 0.218 233 G HA3 -0.255 3.707 3.960 0.004 0.000 0.218 233 G C 1.507 176.441 174.900 0.057 0.000 1.154 233 G CA 0.567 45.766 45.100 0.165 0.000 0.767 233 G HN 0.174 nan 8.290 nan 0.000 0.552 234 L N 0.113 121.350 121.223 0.023 0.000 2.043 234 L HA -0.195 4.147 4.340 0.004 0.000 0.212 234 L C 3.101 179.914 176.870 -0.094 0.000 1.075 234 L CA 1.217 56.034 54.840 -0.038 0.000 0.752 234 L CB -0.548 41.504 42.059 -0.012 0.000 0.891 234 L HN 0.289 nan 8.230 nan 0.000 0.432 235 C N -0.549 118.673 119.300 -0.131 0.000 2.413 235 C HA -0.183 4.279 4.460 0.004 0.000 0.277 235 C C 3.083 177.864 174.990 -0.348 0.000 1.265 235 C CA 0.685 59.514 59.018 -0.314 0.000 1.752 235 C CB -1.229 26.150 27.740 -0.602 0.000 1.998 235 C HN 0.635 nan 8.230 nan 0.000 0.489 236 A N 0.528 123.263 122.820 -0.142 0.000 1.897 236 A HA 0.157 4.480 4.320 0.004 0.000 0.215 236 A C 2.391 179.877 177.584 -0.164 0.000 1.181 236 A CA 1.844 53.842 52.037 -0.065 0.000 0.620 236 A CB -0.902 18.212 19.000 0.190 0.000 0.821 236 A HN 0.547 nan 8.150 nan 0.000 0.443 237 A N -0.216 122.549 122.820 -0.093 0.000 1.883 237 A HA 0.071 4.393 4.320 0.004 0.000 0.217 237 A C 2.437 180.016 177.584 -0.009 0.000 1.186 237 A CA 2.095 54.125 52.037 -0.012 0.000 0.624 237 A CB -1.529 17.379 19.000 -0.154 0.000 0.822 237 A HN 0.752 nan 8.150 nan 0.000 0.444 238 G N -0.859 107.860 108.800 -0.135 0.000 2.514 238 G HA2 -0.399 3.563 3.960 0.004 0.000 0.217 238 G HA3 -0.399 3.563 3.960 0.004 0.000 0.217 238 G C 1.851 176.592 174.900 -0.266 0.000 1.198 238 G CA 1.443 46.437 45.100 -0.177 0.000 0.780 238 G HN 0.697 nan 8.290 nan 0.000 0.565 239 C N 0.077 119.069 119.300 -0.512 0.000 2.403 239 C HA -0.001 4.461 4.460 0.004 0.000 0.277 239 C C 2.798 177.578 174.990 -0.351 0.000 1.248 239 C CA 1.235 59.869 59.018 -0.640 0.000 1.762 239 C CB -1.109 25.822 27.740 -1.348 0.000 2.014 239 C HN 0.457 nan 8.230 nan 0.000 0.486 240 L N 0.035 121.108 121.223 -0.251 0.000 2.044 240 L HA -0.016 4.326 4.340 0.004 0.000 0.205 240 L C 2.380 179.192 176.870 -0.097 0.000 1.075 240 L CA 1.757 56.511 54.840 -0.143 0.000 0.747 240 L CB -0.538 41.481 42.059 -0.066 0.000 0.903 240 L HN 0.448 nan 8.230 nan 0.000 0.435 241 L N -0.401 120.766 121.223 -0.093 0.000 2.093 241 L HA -0.197 4.145 4.340 0.004 0.000 0.208 241 L C 2.455 179.265 176.870 -0.099 0.000 1.085 241 L CA 1.629 56.386 54.840 -0.139 0.000 0.755 241 L CB -0.549 41.457 42.059 -0.089 0.000 0.904 241 L HN 0.326 nan 8.230 nan 0.000 0.435 242 Q N -1.628 118.124 119.800 -0.081 0.000 2.135 242 Q HA -0.271 4.071 4.340 0.004 0.000 0.204 242 Q C 2.090 178.082 176.000 -0.013 0.000 0.981 242 Q CA 2.210 57.983 55.803 -0.050 0.000 0.856 242 Q CB -0.347 28.357 28.738 -0.056 0.000 0.902 242 Q HN 0.625 nan 8.270 nan 0.000 0.425 243 Y N 0.457 120.671 120.300 -0.143 0.000 2.153 243 Y HA -0.192 4.360 4.550 0.004 0.000 0.289 243 Y C 2.265 178.102 175.900 -0.106 0.000 1.127 243 Y CA 1.297 59.326 58.100 -0.119 0.000 1.131 243 Y CB -0.462 37.917 38.460 -0.135 0.000 0.995 243 Y HN 0.089 nan 8.280 nan 0.000 0.505 244 A N 0.410 123.237 122.820 0.012 0.000 1.892 244 A HA -0.289 4.033 4.320 0.004 0.000 0.218 244 A C 2.217 179.731 177.584 -0.116 0.000 1.188 244 A CA 2.347 54.340 52.037 -0.075 0.000 0.631 244 A CB -0.722 18.197 19.000 -0.135 0.000 0.822 244 A HN 0.525 nan 8.150 nan 0.000 0.447 245 K N -0.944 119.391 120.400 -0.108 0.000 2.009 245 K HA -0.220 4.102 4.320 0.004 0.000 0.210 245 K C 1.934 178.473 176.600 -0.102 0.000 1.049 245 K CA 1.721 57.952 56.287 -0.093 0.000 0.929 245 K CB -0.309 32.144 32.500 -0.079 0.000 0.714 245 K HN 0.516 nan 8.250 nan 0.000 0.440 246 D N -0.127 120.197 120.400 -0.126 0.000 2.218 246 D HA -0.123 4.519 4.640 0.004 0.000 0.204 246 D C 1.768 177.960 176.300 -0.180 0.000 0.976 246 D CA 1.647 55.565 54.000 -0.136 0.000 0.853 246 D CB 0.055 40.767 40.800 -0.146 0.000 0.939 246 D HN 0.338 nan 8.370 nan 0.000 0.481 247 T N -3.058 111.337 114.554 -0.266 0.000 3.014 247 T HA -0.037 4.315 4.350 0.004 0.000 0.263 247 T C 1.750 176.366 174.700 -0.140 0.000 1.078 247 T CA 0.513 62.468 62.100 -0.241 0.000 1.135 247 T CB 0.004 68.688 68.868 -0.307 0.000 0.895 247 T HN -0.053 nan 8.240 nan 0.000 0.480 248 Q N 1.065 120.797 119.800 -0.112 0.000 2.259 248 Q HA 0.298 4.640 4.340 0.004 0.000 0.201 248 Q C 0.822 176.785 176.000 -0.061 0.000 0.938 248 Q CA 0.369 56.125 55.803 -0.078 0.000 0.872 248 Q CB -0.193 28.507 28.738 -0.064 0.000 0.971 248 Q HN 0.604 nan 8.270 nan 0.000 0.494 249 R N 1.149 121.614 120.500 -0.058 0.000 3.322 249 R HA -0.151 4.191 4.340 0.004 0.000 0.253 249 R C -0.349 175.932 176.300 -0.031 0.000 0.987 249 R CA 0.973 57.049 56.100 -0.039 0.000 0.666 249 R CB -2.632 27.652 30.300 -0.026 0.000 1.072 249 R HN 0.474 nan 8.270 nan 0.000 0.447 250 T N -4.857 109.674 114.554 -0.038 0.000 2.787 250 T HA 0.470 4.822 4.350 0.004 0.000 0.297 250 T C 0.361 175.040 174.700 -0.036 0.000 1.221 250 T CA -0.393 61.686 62.100 -0.035 0.000 1.006 250 T CB 1.979 70.819 68.868 -0.046 0.000 1.328 250 T HN 0.162 nan 8.240 nan 0.000 0.509 251 T N -0.079 114.455 114.554 -0.032 0.000 2.813 251 T HA 0.559 4.911 4.350 0.004 0.000 0.297 251 T C 0.155 174.842 174.700 -0.020 0.000 1.036 251 T CA -0.794 61.291 62.100 -0.024 0.000 1.044 251 T CB -0.010 68.849 68.868 -0.015 0.000 0.993 251 T HN 0.596 nan 8.240 nan 0.000 0.535 252 L N 2.145 123.378 121.223 0.016 0.000 2.637 252 L HA 0.305 4.647 4.340 0.004 0.000 0.241 252 L C -1.683 175.309 176.870 0.203 0.000 1.398 252 L CA -1.767 53.139 54.840 0.109 0.000 0.895 252 L CB 1.387 43.509 42.059 0.105 0.000 1.183 252 L HN 0.506 nan 8.230 nan 0.000 0.497 253 P HA -0.182 nan 4.420 nan 0.000 0.225 253 P C 1.043 178.460 177.300 0.195 0.000 1.148 253 P CA 1.276 64.447 63.100 0.118 0.000 0.779 253 P CB -0.096 31.628 31.700 0.041 0.000 0.780 254 H N -0.941 118.127 119.070 -0.004 0.000 2.548 254 H HA 0.135 4.693 4.556 0.005 0.000 0.268 254 H C 0.787 176.135 175.328 0.033 0.000 0.975 254 H CA -0.291 55.761 56.048 0.008 0.000 1.195 254 H CB -1.085 28.665 29.762 -0.019 0.000 1.397 254 H HN 0.151 nan 8.280 nan 0.000 0.572 255 I N 3.410 123.935 120.570 -0.075 0.000 2.257 255 I HA 0.186 4.358 4.170 0.004 0.000 0.290 255 I C 1.124 177.359 176.117 0.196 0.000 1.137 255 I CA -0.159 61.099 61.300 -0.070 0.000 1.255 255 I CB 0.309 38.187 38.000 -0.203 0.000 1.485 255 I HN 0.244 nan 8.210 nan 0.000 0.534 256 R N 2.491 123.111 120.500 0.200 0.000 2.397 256 R HA 0.298 4.641 4.340 0.004 0.000 0.241 256 R C 0.205 176.532 176.300 0.044 0.000 0.914 256 R CA -0.152 56.098 56.100 0.251 0.000 1.071 256 R CB 0.681 31.080 30.300 0.166 0.000 1.116 256 R HN 0.407 nan 8.270 nan 0.000 0.524 257 S N 0.011 115.607 115.700 -0.173 0.000 2.567 257 S HA 0.480 4.953 4.470 0.004 0.000 0.270 257 S C -1.690 172.536 174.600 -0.624 0.000 1.152 257 S CA -0.889 56.789 58.200 -0.870 0.000 0.835 257 S CB 1.755 64.777 63.200 -0.297 0.000 1.115 257 S HN 0.279 nan 8.310 nan 0.000 0.459 258 I N 2.246 122.210 120.570 -1.010 0.000 2.647 258 I HA 0.666 4.838 4.170 0.004 0.000 0.295 258 I C -1.142 174.759 176.117 -0.360 0.000 1.078 258 I CA -0.208 60.756 61.300 -0.561 0.000 1.048 258 I CB 2.292 39.856 38.000 -0.726 0.000 1.239 258 I HN 0.781 nan 8.210 nan 0.000 0.421 259 T N 7.147 121.583 114.554 -0.196 0.000 2.887 259 T HA 0.422 4.774 4.350 0.004 0.000 0.288 259 T C -0.565 174.091 174.700 -0.073 0.000 1.021 259 T CA -0.512 61.536 62.100 -0.087 0.000 1.000 259 T CB 1.744 70.594 68.868 -0.031 0.000 1.034 259 T HN 0.594 nan 8.240 nan 0.000 0.467 260 M N 2.888 122.466 119.600 -0.037 0.000 2.144 260 M HA 0.296 4.778 4.480 0.004 0.000 0.356 260 M C -0.377 175.925 176.300 0.002 0.000 1.217 260 M CA -0.277 55.014 55.300 -0.016 0.000 1.087 260 M CB 0.609 33.208 32.600 -0.003 0.000 1.609 260 M HN 0.486 nan 8.290 nan 0.000 0.467 261 E N 5.495 125.706 120.200 0.019 0.000 2.046 261 E HA 0.278 4.630 4.350 0.004 0.000 0.279 261 E C -0.903 175.712 176.600 0.025 0.000 0.989 261 E CA -0.360 56.055 56.400 0.024 0.000 0.798 261 E CB 0.654 30.381 29.700 0.044 0.000 1.086 261 E HN 0.657 nan 8.360 nan 0.000 0.399 262 R N 1.645 122.150 120.500 0.009 0.000 2.531 262 R HA 0.076 4.419 4.340 0.004 0.000 0.273 262 R C 1.191 177.488 176.300 -0.005 0.000 1.070 262 R CA -0.222 55.881 56.100 0.005 0.000 1.112 262 R CB 0.836 31.132 30.300 -0.007 0.000 1.049 262 R HN 0.546 nan 8.270 nan 0.000 0.508 263 E N 1.162 121.359 120.200 -0.004 0.000 2.114 263 E HA -0.313 4.039 4.350 0.004 0.000 0.199 263 E C 1.306 177.881 176.600 -0.042 0.000 1.008 263 E CA 1.819 58.208 56.400 -0.019 0.000 0.810 263 E CB 0.117 29.809 29.700 -0.014 0.000 0.739 263 E HN 0.461 nan 8.360 nan 0.000 0.456 264 Q N 0.164 119.937 119.800 -0.045 0.000 2.451 264 Q HA -0.035 4.308 4.340 0.004 0.000 0.206 264 Q C 0.869 176.825 176.000 -0.073 0.000 0.947 264 Q CA 0.687 56.451 55.803 -0.066 0.000 0.937 264 Q CB 0.404 29.105 28.738 -0.062 0.000 1.025 264 Q HN 0.177 nan 8.270 nan 0.000 0.511 265 D N -0.154 120.210 120.400 -0.061 0.000 2.354 265 D HA 0.038 4.680 4.640 0.004 0.000 0.209 265 D C 0.148 176.403 176.300 -0.076 0.000 1.015 265 D CA 0.467 54.429 54.000 -0.064 0.000 0.867 265 D CB 0.450 41.222 40.800 -0.047 0.000 0.933 265 D HN 0.222 nan 8.370 nan 0.000 0.520 266 S N -0.411 115.242 115.700 -0.078 0.000 2.569 266 S HA 0.546 5.018 4.470 0.004 0.000 0.280 266 S C -0.395 174.136 174.600 -0.115 0.000 1.111 266 S CA -0.910 57.240 58.200 -0.083 0.000 0.887 266 S CB 1.832 65.004 63.200 -0.047 0.000 1.095 266 S HN -0.047 nan 8.310 nan 0.000 0.476 267 I N 1.991 122.477 120.570 -0.140 0.000 2.533 267 I HA 0.209 4.381 4.170 0.004 0.000 0.284 267 I C -0.458 175.586 176.117 -0.122 0.000 1.109 267 I CA -0.277 60.928 61.300 -0.160 0.000 1.412 267 I CB 0.353 38.243 38.000 -0.182 0.000 1.396 267 I HN 0.537 nan 8.210 nan 0.000 0.543 268 I N 7.273 127.757 120.570 -0.144 0.000 2.306 268 I HA 0.304 4.477 4.170 0.004 0.000 0.288 268 I C -0.058 175.934 176.117 -0.209 0.000 1.036 268 I CA -0.219 60.996 61.300 -0.142 0.000 1.221 268 I CB 0.492 38.414 38.000 -0.130 0.000 1.385 268 I HN 0.470 nan 8.210 nan 0.000 0.472 269 M N 5.440 124.945 119.600 -0.158 0.000 2.249 269 M HA 0.232 4.714 4.480 0.004 0.000 0.351 269 M C 0.084 176.285 176.300 -0.166 0.000 1.180 269 M CA -0.665 54.527 55.300 -0.180 0.000 1.127 269 M CB 0.925 33.459 32.600 -0.111 0.000 1.546 269 M HN 0.554 nan 8.290 nan 0.000 0.461 270 D N 2.040 122.323 120.400 -0.195 0.000 2.398 270 D HA 0.290 4.932 4.640 0.004 0.000 0.264 270 D C 0.719 176.985 176.300 -0.056 0.000 1.263 270 D CA -0.408 53.524 54.000 -0.113 0.000 1.037 270 D CB 0.359 41.125 40.800 -0.057 0.000 1.101 270 D HN 0.583 nan 8.370 nan 0.000 0.551 271 A N -0.376 122.425 122.820 -0.031 0.000 1.898 271 A HA 0.209 4.531 4.320 0.004 0.000 0.214 271 A C 2.191 179.768 177.584 -0.011 0.000 1.183 271 A CA 2.004 54.028 52.037 -0.022 0.000 0.622 271 A CB -1.295 17.688 19.000 -0.027 0.000 0.824 271 A HN 0.670 nan 8.150 nan 0.000 0.444 272 A N -0.707 122.110 122.820 -0.006 0.000 1.948 272 A HA -0.149 4.174 4.320 0.004 0.000 0.220 272 A C 2.294 179.875 177.584 -0.005 0.000 1.177 272 A CA 2.487 54.523 52.037 -0.002 0.000 0.636 272 A CB -1.330 17.672 19.000 0.004 0.000 0.815 272 A HN 0.422 nan 8.150 nan 0.000 0.449 273 T N -1.029 113.515 114.554 -0.016 0.000 2.708 273 T HA -0.143 4.210 4.350 0.004 0.000 0.266 273 T C 2.092 176.774 174.700 -0.029 0.000 1.037 273 T CA 1.590 63.673 62.100 -0.029 0.000 1.146 273 T CB -0.208 68.624 68.868 -0.060 0.000 0.865 273 T HN 0.524 nan 8.240 nan 0.000 0.435 274 R N 0.403 120.889 120.500 -0.024 0.000 2.127 274 R HA 0.003 4.346 4.340 0.004 0.000 0.238 274 R C 2.646 178.951 176.300 0.008 0.000 1.134 274 R CA 1.286 57.380 56.100 -0.010 0.000 0.975 274 R CB 0.001 30.325 30.300 0.040 0.000 0.865 274 R HN 0.278 nan 8.270 nan 0.000 0.447 275 R N -0.752 119.755 120.500 0.012 0.000 2.075 275 R HA -0.037 4.305 4.340 0.004 0.000 0.226 275 R C 1.955 178.264 176.300 0.014 0.000 1.114 275 R CA 1.413 57.524 56.100 0.018 0.000 0.972 275 R CB -0.264 30.044 30.300 0.014 0.000 0.869 275 R HN 0.164 nan 8.270 nan 0.000 0.437 276 N N 0.526 119.231 118.700 0.008 0.000 2.381 276 N HA -0.076 4.666 4.740 0.004 0.000 0.182 276 N C 1.183 176.708 175.510 0.025 0.000 1.025 276 N CA 0.896 53.954 53.050 0.013 0.000 0.888 276 N CB 0.143 38.634 38.487 0.007 0.000 0.965 276 N HN 0.151 nan 8.380 nan 0.000 0.438 277 L N -0.167 121.061 121.223 0.008 0.000 2.616 277 L HA 0.236 4.578 4.340 0.004 0.000 0.229 277 L C -0.206 176.671 176.870 0.010 0.000 1.110 277 L CA 0.078 54.920 54.840 0.003 0.000 0.884 277 L CB -0.156 41.875 42.059 -0.047 0.000 1.115 277 L HN 0.138 nan 8.230 nan 0.000 0.481 278 E N 0.250 120.459 120.200 0.015 0.000 2.252 278 E HA -0.252 4.100 4.350 0.004 0.000 0.218 278 E C 1.005 177.613 176.600 0.012 0.000 1.253 278 E CA 0.088 56.505 56.400 0.027 0.000 0.705 278 E CB -1.428 28.299 29.700 0.045 0.000 1.172 278 E HN 0.517 nan 8.360 nan 0.000 0.369 279 I N -0.237 120.318 120.570 -0.025 0.000 2.202 279 I HA -0.215 3.957 4.170 0.004 0.000 0.242 279 I C 2.369 178.488 176.117 0.003 0.000 1.091 279 I CA 2.166 63.414 61.300 -0.086 0.000 1.368 279 I CB -0.147 37.661 38.000 -0.321 0.000 1.058 279 I HN 0.429 nan 8.210 nan 0.000 0.410 280 T N -4.518 110.095 114.554 0.098 0.000 3.028 280 T HA 0.153 4.505 4.350 0.004 0.000 0.262 280 T C 0.477 175.230 174.700 0.088 0.000 0.916 280 T CA -0.372 61.804 62.100 0.127 0.000 0.873 280 T CB 0.380 69.385 68.868 0.230 0.000 1.232 280 T HN 0.135 nan 8.240 nan 0.000 0.529 281 Q N 2.315 122.166 119.800 0.084 0.000 2.321 281 Q HA 0.395 4.737 4.340 0.004 0.000 0.270 281 Q C -0.562 175.465 176.000 0.044 0.000 1.032 281 Q CA -0.802 55.034 55.803 0.055 0.000 0.784 281 Q CB 1.654 30.423 28.738 0.052 0.000 1.264 281 Q HN 0.613 nan 8.270 nan 0.000 0.448 282 N N 2.607 121.327 118.700 0.033 0.000 2.327 282 N HA 0.057 4.800 4.740 0.004 0.000 0.257 282 N C 0.596 176.120 175.510 0.023 0.000 1.281 282 N CA -0.382 52.684 53.050 0.028 0.000 0.942 282 N CB 0.826 39.326 38.487 0.022 0.000 1.199 282 N HN 0.546 nan 8.380 nan 0.000 0.532 283 L N -0.825 120.409 121.223 0.019 0.000 2.291 283 L HA -0.015 4.327 4.340 0.004 0.000 0.214 283 L C 2.208 179.087 176.870 0.014 0.000 1.120 283 L CA 0.783 55.633 54.840 0.016 0.000 0.799 283 L CB -0.271 41.795 42.059 0.013 0.000 0.925 283 L HN 0.758 nan 8.230 nan 0.000 0.446 284 A N -0.904 121.924 122.820 0.013 0.000 2.307 284 A HA 0.406 4.728 4.320 0.004 0.000 0.218 284 A C 1.711 179.303 177.584 0.012 0.000 1.228 284 A CA 0.639 52.683 52.037 0.011 0.000 0.857 284 A CB -0.257 18.748 19.000 0.009 0.000 0.897 284 A HN 0.466 nan 8.150 nan 0.000 0.495 285 G N -1.862 106.947 108.800 0.015 0.000 2.234 285 G HA2 -0.079 3.883 3.960 0.004 0.000 0.235 285 G HA3 -0.079 3.883 3.960 0.004 0.000 0.235 285 G C 0.820 175.729 174.900 0.015 0.000 0.997 285 G CA 0.219 45.328 45.100 0.015 0.000 0.623 285 G HN 1.360 nan 8.290 nan 0.000 0.514 286 G N -0.842 107.967 108.800 0.015 0.000 2.543 286 G HA2 0.695 4.657 3.960 0.004 0.000 0.290 286 G HA3 0.695 4.657 3.960 0.004 0.000 0.290 286 G C 0.869 175.781 174.900 0.018 0.000 1.310 286 G CA 0.534 45.643 45.100 0.014 0.000 1.025 286 G HN 1.346 nan 8.290 nan 0.000 0.502 287 A N -0.930 121.900 122.820 0.017 0.000 2.470 287 A HA 0.433 4.755 4.320 0.004 0.000 0.251 287 A C 0.569 178.164 177.584 0.019 0.000 1.245 287 A CA -0.027 52.023 52.037 0.021 0.000 0.932 287 A CB 0.008 19.019 19.000 0.019 0.000 1.037 287 A HN 0.561 nan 8.150 nan 0.000 0.522 288 E N 1.259 121.468 120.200 0.015 0.000 2.404 288 E HA 0.227 4.580 4.350 0.004 0.000 0.261 288 E C 0.018 176.628 176.600 0.018 0.000 1.074 288 E CA -0.163 56.245 56.400 0.014 0.000 0.917 288 E CB 0.084 29.790 29.700 0.010 0.000 0.965 288 E HN 0.262 nan 8.360 nan 0.000 0.433 289 N N 0.124 118.835 118.700 0.019 0.000 2.716 289 N HA -0.172 4.570 4.740 0.004 0.000 0.250 289 N C -0.634 174.897 175.510 0.035 0.000 1.033 289 N CA 1.447 54.511 53.050 0.023 0.000 0.727 289 N CB -1.985 36.511 38.487 0.014 0.000 0.950 289 N HN 0.706 nan 8.380 nan 0.000 0.541 290 T N -3.896 110.680 114.554 0.036 0.000 2.910 290 T HA 0.548 4.901 4.350 0.004 0.000 0.279 290 T C 1.479 176.204 174.700 0.042 0.000 0.989 290 T CA -0.896 61.229 62.100 0.041 0.000 0.968 290 T CB 1.311 70.201 68.868 0.037 0.000 1.135 290 T HN -0.039 nan 8.240 nan 0.000 0.562 291 L N 0.878 122.119 121.223 0.030 0.000 2.042 291 L HA 0.103 4.445 4.340 0.004 0.000 0.210 291 L C 2.744 179.630 176.870 0.027 0.000 1.076 291 L CA 2.394 57.244 54.840 0.017 0.000 0.749 291 L CB -1.280 40.768 42.059 -0.018 0.000 0.893 291 L HN 0.926 nan 8.230 nan 0.000 0.432 292 A N -1.258 121.579 122.820 0.027 0.000 1.897 292 A HA -0.147 4.175 4.320 0.004 0.000 0.215 292 A C 2.428 180.026 177.584 0.024 0.000 1.181 292 A CA 1.569 53.623 52.037 0.029 0.000 0.620 292 A CB -1.042 17.981 19.000 0.038 0.000 0.821 292 A HN 0.608 nan 8.150 nan 0.000 0.443 293 S N 0.088 115.803 115.700 0.025 0.000 2.381 293 S HA -0.218 4.254 4.470 0.004 0.000 0.230 293 S C 1.766 176.377 174.600 0.019 0.000 1.052 293 S CA 1.817 60.029 58.200 0.019 0.000 1.068 293 S CB -1.206 62.006 63.200 0.021 0.000 0.918 293 S HN 0.259 nan 8.310 nan 0.000 0.448 294 V N 2.261 122.193 119.914 0.029 0.000 2.229 294 V HA -0.085 4.037 4.120 0.004 0.000 0.243 294 V C 2.624 178.738 176.094 0.033 0.000 1.042 294 V CA 2.018 64.339 62.300 0.035 0.000 1.000 294 V CB -0.790 31.068 31.823 0.058 0.000 0.637 294 V HN 0.473 nan 8.190 nan 0.000 0.446 295 L N -0.162 121.090 121.223 0.047 0.000 2.141 295 L HA -0.037 4.306 4.340 0.004 0.000 0.209 295 L C 1.018 177.899 176.870 0.017 0.000 1.094 295 L CA 0.800 55.670 54.840 0.051 0.000 0.763 295 L CB -0.349 41.753 42.059 0.071 0.000 0.908 295 L HN 0.365 nan 8.230 nan 0.000 0.437 296 D N -0.507 119.897 120.400 0.007 0.000 2.402 296 D HA 0.091 4.733 4.640 0.004 0.000 0.235 296 D C -0.138 176.153 176.300 -0.014 0.000 1.226 296 D CA -0.080 53.913 54.000 -0.011 0.000 0.918 296 D CB 0.540 41.333 40.800 -0.011 0.000 1.043 296 D HN 0.078 nan 8.370 nan 0.000 0.506 297 C N 3.250 122.538 119.300 -0.020 0.000 3.098 297 C HA 0.188 4.650 4.460 0.004 0.000 0.265 297 C C 0.798 175.775 174.990 -0.022 0.000 1.572 297 C CA -0.397 58.610 59.018 -0.019 0.000 1.788 297 C CB -1.473 26.256 27.740 -0.017 0.000 2.982 297 C HN 0.687 nan 8.230 nan 0.000 0.532 298 T N -0.642 113.893 114.554 -0.032 0.000 2.856 298 T HA 0.176 4.528 4.350 0.004 0.000 0.329 298 T C 0.977 175.661 174.700 -0.025 0.000 1.094 298 T CA 0.727 62.805 62.100 -0.038 0.000 1.112 298 T CB 0.845 69.677 68.868 -0.060 0.000 1.009 298 T HN 0.715 nan 8.240 nan 0.000 0.550 299 V N -1.608 118.294 119.914 -0.020 0.000 3.528 299 V HA 0.381 4.503 4.120 0.004 0.000 0.294 299 V C 0.659 176.747 176.094 -0.010 0.000 1.404 299 V CA 0.269 62.562 62.300 -0.010 0.000 1.065 299 V CB -0.824 30.998 31.823 -0.001 0.000 0.904 299 V HN 1.259 nan 8.190 nan 0.000 0.435 300 T N -3.459 111.085 114.554 -0.016 0.000 2.893 300 T HA 0.638 4.990 4.350 0.004 0.000 0.291 300 T C -2.114 172.571 174.700 -0.024 0.000 1.028 300 T CA -1.658 60.433 62.100 -0.015 0.000 0.995 300 T CB 2.202 71.065 68.868 -0.008 0.000 1.051 300 T HN -0.028 nan 8.240 nan 0.000 0.470 301 P HA -0.174 nan 4.420 nan 0.000 0.215 301 P C 2.027 179.310 177.300 -0.028 0.000 1.157 301 P CA 1.674 64.760 63.100 -0.023 0.000 0.874 301 P CB -0.190 31.498 31.700 -0.019 0.000 0.790 302 M N -2.264 117.322 119.600 -0.024 0.000 2.159 302 M HA -0.012 4.470 4.480 0.004 0.000 0.263 302 M C 2.122 178.391 176.300 -0.052 0.000 1.063 302 M CA 2.528 57.813 55.300 -0.025 0.000 1.110 302 M CB -1.855 30.740 32.600 -0.008 0.000 1.374 302 M HN -0.161 nan 8.290 nan 0.000 0.411 303 G N 0.524 109.287 108.800 -0.061 0.000 2.422 303 G HA2 -0.214 3.748 3.960 0.004 0.000 0.218 303 G HA3 -0.214 3.748 3.960 0.004 0.000 0.218 303 G C 1.653 176.474 174.900 -0.133 0.000 1.140 303 G CA 1.126 46.163 45.100 -0.106 0.000 0.775 303 G HN 0.625 nan 8.290 nan 0.000 0.545 304 S N 0.298 115.946 115.700 -0.088 0.000 2.387 304 S HA -0.027 4.446 4.470 0.004 0.000 0.226 304 S C 2.380 176.933 174.600 -0.079 0.000 1.026 304 S CA 1.050 59.203 58.200 -0.079 0.000 0.972 304 S CB -0.213 62.959 63.200 -0.046 0.000 0.814 304 S HN 0.436 nan 8.310 nan 0.000 0.477 305 R N 0.129 120.590 120.500 -0.065 0.000 2.075 305 R HA 0.062 4.405 4.340 0.004 0.000 0.232 305 R C 2.606 178.863 176.300 -0.072 0.000 1.126 305 R CA 1.679 57.750 56.100 -0.047 0.000 0.963 305 R CB -0.470 29.814 30.300 -0.027 0.000 0.858 305 R HN 0.497 nan 8.270 nan 0.000 0.435 306 M N 0.719 120.241 119.600 -0.131 0.000 2.106 306 M HA -0.205 4.277 4.480 0.004 0.000 0.259 306 M C 2.056 178.057 176.300 -0.497 0.000 1.068 306 M CA 1.540 56.693 55.300 -0.244 0.000 1.100 306 M CB -0.114 32.304 32.600 -0.302 0.000 1.351 306 M HN 0.164 nan 8.290 nan 0.000 0.404 307 L N 0.659 121.607 121.223 -0.459 0.000 2.012 307 L HA -0.217 4.126 4.340 0.004 0.000 0.210 307 L C 2.025 178.828 176.870 -0.110 0.000 1.073 307 L CA 2.034 56.641 54.840 -0.388 0.000 0.748 307 L CB -0.689 41.226 42.059 -0.239 0.000 0.891 307 L HN 0.248 nan 8.230 nan 0.000 0.431 308 K N -1.069 119.312 120.400 -0.032 0.000 2.209 308 K HA -0.121 4.201 4.320 0.004 0.000 0.204 308 K C 2.151 178.875 176.600 0.206 0.000 1.048 308 K CA 1.231 57.581 56.287 0.105 0.000 0.940 308 K CB -0.115 32.433 32.500 0.080 0.000 0.729 308 K HN 0.346 nan 8.250 nan 0.000 0.451 309 R N -0.488 120.099 120.500 0.145 0.000 2.073 309 R HA -0.085 4.257 4.340 0.004 0.000 0.229 309 R C 1.949 178.473 176.300 0.373 0.000 1.120 309 R CA 1.147 57.384 56.100 0.229 0.000 0.967 309 R CB -0.110 30.315 30.300 0.208 0.000 0.862 309 R HN 0.241 nan 8.270 nan 0.000 0.436 310 W N 1.037 122.390 121.300 0.088 0.000 2.380 310 W HA -0.102 4.561 4.660 0.005 0.000 0.317 310 W C 1.935 178.496 176.519 0.070 0.000 1.196 310 W CA 0.113 57.502 57.345 0.074 0.000 1.307 310 W CB -1.202 28.297 29.460 0.064 0.000 1.157 310 W HN -0.012 nan 8.180 nan 0.000 0.483 311 L N -0.117 121.290 121.223 0.306 0.000 2.085 311 L HA -0.281 4.061 4.340 0.004 0.000 0.218 311 L C 2.109 178.993 176.870 0.024 0.000 1.080 311 L CA 2.084 57.000 54.840 0.127 0.000 0.776 311 L CB -2.085 40.006 42.059 0.054 0.000 0.891 311 L HN 0.168 nan 8.230 nan 0.000 0.437 312 H N -2.893 116.240 119.070 0.105 0.000 2.502 312 H HA 0.113 4.671 4.556 0.003 0.000 0.283 312 H C 0.962 176.325 175.328 0.059 0.000 1.015 312 H CA 0.578 56.667 56.048 0.067 0.000 1.298 312 H CB 0.206 30.003 29.762 0.060 0.000 1.411 312 H HN 0.194 nan 8.280 nan 0.000 0.556 313 M N 1.115 120.825 119.600 0.183 0.000 1.949 313 M HA 0.317 4.799 4.480 0.004 0.000 0.234 313 M C -2.861 173.479 176.300 0.067 0.000 0.855 313 M CA -2.078 53.287 55.300 0.109 0.000 0.800 313 M CB 1.505 34.175 32.600 0.116 0.000 1.697 313 M HN -0.256 nan 8.290 nan 0.000 0.357 314 P HA 0.154 nan 4.420 nan 0.000 0.271 314 P C -0.771 176.520 177.300 -0.015 0.000 1.220 314 P CA -0.246 62.878 63.100 0.041 0.000 0.768 314 P CB 0.696 32.436 31.700 0.068 0.000 0.848 315 V N 4.614 124.507 119.914 -0.034 0.000 2.834 315 V HA 0.238 4.360 4.120 0.004 0.000 0.301 315 V C 1.613 177.689 176.094 -0.029 0.000 1.066 315 V CA -0.193 62.066 62.300 -0.068 0.000 1.052 315 V CB 0.907 32.651 31.823 -0.130 0.000 1.021 315 V HN 0.509 nan 8.190 nan 0.000 0.480 316 R N 0.116 120.568 120.500 -0.079 0.000 2.334 316 R HA 0.127 4.469 4.340 0.004 0.000 0.212 316 R C 0.044 176.302 176.300 -0.069 0.000 0.897 316 R CA -0.239 55.803 56.100 -0.097 0.000 1.056 316 R CB 0.199 30.410 30.300 -0.149 0.000 1.046 316 R HN 0.768 nan 8.270 nan 0.000 0.513 317 D N 1.316 121.667 120.400 -0.082 0.000 2.338 317 D HA 0.001 4.643 4.640 0.004 0.000 0.255 317 D C 0.709 176.927 176.300 -0.137 0.000 1.237 317 D CA 0.303 54.245 54.000 -0.096 0.000 0.883 317 D CB 1.343 42.090 40.800 -0.088 0.000 1.087 317 D HN 0.003 nan 8.370 nan 0.000 0.485 318 T N 3.636 118.092 114.554 -0.164 0.000 2.684 318 T HA -0.234 4.118 4.350 0.004 0.000 0.267 318 T C 1.859 176.464 174.700 -0.158 0.000 1.036 318 T CA 1.196 63.146 62.100 -0.250 0.000 1.148 318 T CB -0.084 68.663 68.868 -0.201 0.000 0.863 318 T HN 0.354 nan 8.240 nan 0.000 0.436 319 R N 0.817 121.260 120.500 -0.094 0.000 2.122 319 R HA -0.130 4.213 4.340 0.004 0.000 0.236 319 R C 2.413 178.679 176.300 -0.057 0.000 1.129 319 R CA 1.739 57.805 56.100 -0.057 0.000 0.925 319 R CB -1.192 29.080 30.300 -0.046 0.000 0.850 319 R HN 0.254 nan 8.270 nan 0.000 0.431 320 V N 0.776 120.645 119.914 -0.075 0.000 2.380 320 V HA -0.295 3.827 4.120 0.004 0.000 0.251 320 V C 2.288 178.335 176.094 -0.078 0.000 1.063 320 V CA 2.098 64.347 62.300 -0.085 0.000 1.055 320 V CB -0.488 31.262 31.823 -0.122 0.000 0.657 320 V HN 0.325 nan 8.190 nan 0.000 0.455 321 L N -1.168 120.004 121.223 -0.086 0.000 2.044 321 L HA -0.134 4.208 4.340 0.004 0.000 0.205 321 L C 2.389 179.298 176.870 0.065 0.000 1.075 321 L CA 1.375 56.194 54.840 -0.035 0.000 0.747 321 L CB -0.520 41.454 42.059 -0.142 0.000 0.903 321 L HN 0.264 nan 8.230 nan 0.000 0.435 322 L N -0.341 120.916 121.223 0.056 0.000 2.043 322 L HA -0.270 4.072 4.340 0.004 0.000 0.212 322 L C 2.543 179.458 176.870 0.075 0.000 1.075 322 L CA 1.430 56.330 54.840 0.100 0.000 0.752 322 L CB -0.506 41.593 42.059 0.067 0.000 0.891 322 L HN 0.317 nan 8.230 nan 0.000 0.432 323 E N 0.010 120.232 120.200 0.038 0.000 2.085 323 E HA -0.221 4.131 4.350 0.004 0.000 0.194 323 E C 2.378 179.012 176.600 0.055 0.000 0.994 323 E CA 1.274 57.693 56.400 0.033 0.000 0.801 323 E CB 0.099 29.804 29.700 0.007 0.000 0.743 323 E HN 0.296 nan 8.360 nan 0.000 0.453 324 R N -0.152 120.384 120.500 0.060 0.000 2.073 324 R HA -0.092 4.250 4.340 0.004 0.000 0.229 324 R C 2.494 178.878 176.300 0.139 0.000 1.120 324 R CA 1.347 57.505 56.100 0.096 0.000 0.967 324 R CB -0.143 30.204 30.300 0.078 0.000 0.862 324 R HN 0.261 nan 8.270 nan 0.000 0.436 325 Q N 0.364 120.268 119.800 0.173 0.000 2.135 325 Q HA -0.228 4.114 4.340 0.004 0.000 0.204 325 Q C 2.077 178.224 176.000 0.245 0.000 0.981 325 Q CA 1.488 57.454 55.803 0.272 0.000 0.856 325 Q CB 0.008 28.887 28.738 0.236 0.000 0.902 325 Q HN 0.440 nan 8.270 nan 0.000 0.425 326 Q N -0.659 119.228 119.800 0.146 0.000 2.083 326 Q HA -0.100 4.243 4.340 0.004 0.000 0.198 326 Q C 2.011 178.056 176.000 0.074 0.000 0.969 326 Q CA 1.561 57.427 55.803 0.106 0.000 0.838 326 Q CB 0.184 28.962 28.738 0.067 0.000 0.900 326 Q HN 0.314 nan 8.270 nan 0.000 0.436 327 T N 0.872 115.463 114.554 0.060 0.000 2.821 327 T HA -0.062 4.291 4.350 0.004 0.000 0.267 327 T C 1.768 176.470 174.700 0.004 0.000 1.046 327 T CA 0.779 62.895 62.100 0.026 0.000 1.139 327 T CB -0.073 68.822 68.868 0.044 0.000 0.871 327 T HN 0.179 nan 8.240 nan 0.000 0.454 328 I N 1.025 121.596 120.570 0.002 0.000 2.315 328 I HA -0.059 4.113 4.170 0.004 0.000 0.248 328 I C 2.690 178.713 176.117 -0.157 0.000 1.117 328 I CA 1.114 62.349 61.300 -0.108 0.000 1.404 328 I CB -0.280 37.592 38.000 -0.214 0.000 1.071 328 I HN 0.306 nan 8.210 nan 0.000 0.419 329 G N -0.211 108.562 108.800 -0.045 0.000 2.494 329 G HA2 -0.058 3.904 3.960 0.004 0.000 0.216 329 G HA3 -0.058 3.904 3.960 0.004 0.000 0.216 329 G C 1.786 176.711 174.900 0.041 0.000 1.140 329 G CA 0.606 45.724 45.100 0.031 0.000 0.801 329 G HN 0.446 nan 8.290 nan 0.000 0.536 330 A N 0.325 123.161 122.820 0.026 0.000 1.968 330 A HA 0.276 4.598 4.320 0.004 0.000 0.217 330 A C 2.130 179.727 177.584 0.021 0.000 1.169 330 A CA 0.706 52.749 52.037 0.010 0.000 0.638 330 A CB -0.183 18.788 19.000 -0.048 0.000 0.812 330 A HN 0.332 nan 8.150 nan 0.000 0.446 331 L N -1.270 119.962 121.223 0.015 0.000 2.607 331 L HA 0.056 4.398 4.340 0.004 0.000 0.228 331 L C 2.201 179.180 176.870 0.181 0.000 1.123 331 L CA 0.159 55.044 54.840 0.075 0.000 0.890 331 L CB -0.019 42.033 42.059 -0.010 0.000 1.103 331 L HN 0.378 nan 8.230 nan 0.000 0.468 332 Q N 0.852 120.701 119.800 0.082 0.000 2.142 332 Q HA -0.299 4.043 4.340 0.004 0.000 0.213 332 Q C 1.415 177.389 176.000 -0.043 0.000 1.004 332 Q CA 2.421 58.213 55.803 -0.018 0.000 0.883 332 Q CB 0.052 28.742 28.738 -0.080 0.000 0.939 332 Q HN 0.378 nan 8.270 nan 0.000 0.413 333 D N -1.626 118.782 120.400 0.013 0.000 2.249 333 D HA -0.036 4.606 4.640 0.004 0.000 0.205 333 D C 0.683 176.853 176.300 -0.217 0.000 0.962 333 D CA 0.597 54.474 54.000 -0.204 0.000 0.860 333 D CB 0.025 40.575 40.800 -0.417 0.000 0.955 333 D HN 0.276 nan 8.370 nan 0.000 0.505 334 F N 0.440 120.355 119.950 -0.057 0.000 2.797 334 F HA 0.071 4.600 4.527 0.004 0.000 0.302 334 F C 2.302 178.087 175.800 -0.025 0.000 1.130 334 F CA 0.273 58.253 58.000 -0.034 0.000 1.387 334 F CB -0.622 38.363 39.000 -0.026 0.000 1.107 334 F HN -0.083 nan 8.300 nan 0.000 0.577 335 T N -1.984 112.638 114.554 0.113 0.000 2.737 335 T HA -0.153 4.199 4.350 0.004 0.000 0.265 335 T C 2.331 177.061 174.700 0.051 0.000 1.038 335 T CA 1.067 63.212 62.100 0.075 0.000 1.144 335 T CB -0.697 68.202 68.868 0.052 0.000 0.866 335 T HN 0.165 nan 8.240 nan 0.000 0.434 336 A N 1.453 124.290 122.820 0.027 0.000 2.076 336 A HA 0.248 4.571 4.320 0.004 0.000 0.220 336 A C 2.590 180.185 177.584 0.019 0.000 1.160 336 A CA 1.636 53.684 52.037 0.018 0.000 0.653 336 A CB -1.428 17.575 19.000 0.005 0.000 0.801 336 A HN 0.672 nan 8.150 nan 0.000 0.455 337 G N -0.790 108.026 108.800 0.027 0.000 2.426 337 G HA2 0.069 4.031 3.960 0.004 0.000 0.214 337 G HA3 0.069 4.031 3.960 0.004 0.000 0.214 337 G C 1.479 176.412 174.900 0.056 0.000 1.156 337 G CA 0.673 45.796 45.100 0.038 0.000 0.802 337 G HN 0.407 nan 8.290 nan 0.000 0.534 338 L N -0.190 121.077 121.223 0.074 0.000 2.131 338 L HA 0.043 4.385 4.340 0.004 0.000 0.206 338 L C 3.082 179.980 176.870 0.046 0.000 1.087 338 L CA 0.655 55.535 54.840 0.067 0.000 0.767 338 L CB -0.215 41.891 42.059 0.078 0.000 0.917 338 L HN 0.199 nan 8.230 nan 0.000 0.441 339 Q N -0.038 119.786 119.800 0.040 0.000 2.016 339 Q HA -0.157 4.186 4.340 0.004 0.000 0.200 339 Q C -0.344 175.672 176.000 0.027 0.000 0.978 339 Q CA 1.423 57.243 55.803 0.028 0.000 0.833 339 Q CB -1.086 27.666 28.738 0.023 0.000 0.895 339 Q HN 0.387 nan 8.270 nan 0.000 0.427 340 P HA -0.149 nan 4.420 nan 0.000 0.216 340 P C 1.420 178.741 177.300 0.036 0.000 1.150 340 P CA 1.202 64.319 63.100 0.028 0.000 0.843 340 P CB 0.002 31.718 31.700 0.026 0.000 0.787 341 V N -1.023 118.913 119.914 0.037 0.000 2.488 341 V HA -0.146 3.976 4.120 0.004 0.000 0.246 341 V C 2.377 178.497 176.094 0.044 0.000 1.046 341 V CA 1.347 63.671 62.300 0.040 0.000 1.053 341 V CB -1.092 30.753 31.823 0.036 0.000 0.679 341 V HN 0.066 nan 8.190 nan 0.000 0.458 342 L N -0.059 121.187 121.223 0.039 0.000 2.291 342 L HA -0.097 4.245 4.340 0.004 0.000 0.214 342 L C 2.672 179.564 176.870 0.036 0.000 1.120 342 L CA 1.247 56.109 54.840 0.037 0.000 0.799 342 L CB -0.444 41.632 42.059 0.028 0.000 0.925 342 L HN 0.292 nan 8.230 nan 0.000 0.446 343 R N -0.103 120.418 120.500 0.034 0.000 2.115 343 R HA -0.144 4.198 4.340 0.004 0.000 0.230 343 R C 1.860 178.187 176.300 0.044 0.000 1.111 343 R CA 0.986 57.104 56.100 0.029 0.000 0.976 343 R CB 0.060 30.374 30.300 0.023 0.000 0.870 343 R HN 0.334 nan 8.270 nan 0.000 0.445 344 Q N 0.253 120.098 119.800 0.076 0.000 2.515 344 Q HA -0.026 4.317 4.340 0.004 0.000 0.212 344 Q C 1.810 177.904 176.000 0.157 0.000 0.970 344 Q CA 0.477 56.368 55.803 0.147 0.000 0.941 344 Q CB 0.452 29.324 28.738 0.223 0.000 0.998 344 Q HN 0.268 nan 8.270 nan 0.000 0.518 345 V N -0.420 119.543 119.914 0.083 0.000 2.649 345 V HA 0.002 4.124 4.120 0.004 0.000 0.248 345 V C 1.389 177.502 176.094 0.032 0.000 1.054 345 V CA 1.237 63.574 62.300 0.061 0.000 1.073 345 V CB -0.798 31.056 31.823 0.052 0.000 0.699 345 V HN 0.555 nan 8.190 nan 0.000 0.463 346 G N 0.640 109.453 108.800 0.021 0.000 2.569 346 G HA2 -0.320 3.642 3.960 0.004 0.000 0.259 346 G HA3 -0.320 3.642 3.960 0.004 0.000 0.259 346 G C -0.113 174.783 174.900 -0.007 0.000 1.263 346 G CA 0.250 45.349 45.100 -0.002 0.000 0.928 346 G HN 0.391 nan 8.290 nan 0.000 0.572 347 D N 0.743 121.133 120.400 -0.016 0.000 2.741 347 D HA 0.334 4.976 4.640 0.004 0.000 0.233 347 D C 1.798 178.088 176.300 -0.017 0.000 1.160 347 D CA -0.412 53.580 54.000 -0.014 0.000 1.003 347 D CB 0.271 41.061 40.800 -0.017 0.000 1.064 347 D HN 0.399 nan 8.370 nan 0.000 0.503 348 L N 2.322 123.537 121.223 -0.013 0.000 2.127 348 L HA -0.124 4.218 4.340 0.004 0.000 0.211 348 L C 2.005 178.871 176.870 -0.008 0.000 1.089 348 L CA 1.884 56.711 54.840 -0.022 0.000 0.757 348 L CB -0.396 41.661 42.059 -0.004 0.000 0.899 348 L HN 0.427 nan 8.230 nan 0.000 0.434 349 E N -0.820 119.385 120.200 0.008 0.000 2.072 349 E HA -0.245 4.108 4.350 0.004 0.000 0.191 349 E C 2.270 178.879 176.600 0.016 0.000 0.985 349 E CA 1.047 57.460 56.400 0.021 0.000 0.801 349 E CB -0.278 29.439 29.700 0.028 0.000 0.750 349 E HN 0.480 nan 8.360 nan 0.000 0.452 350 R N 0.140 120.642 120.500 0.004 0.000 2.115 350 R HA 0.055 4.397 4.340 0.004 0.000 0.226 350 R C 2.446 178.736 176.300 -0.018 0.000 1.100 350 R CA 1.166 57.266 56.100 -0.001 0.000 0.980 350 R CB -0.144 30.152 30.300 -0.005 0.000 0.875 350 R HN 0.322 nan 8.270 nan 0.000 0.445 351 I N 0.684 121.238 120.570 -0.026 0.000 2.252 351 I HA -0.281 3.891 4.170 0.004 0.000 0.245 351 I C 1.895 177.980 176.117 -0.054 0.000 1.102 351 I CA 1.291 62.567 61.300 -0.039 0.000 1.385 351 I CB -0.126 37.845 38.000 -0.049 0.000 1.064 351 I HN 0.163 nan 8.210 nan 0.000 0.414 352 L N 0.296 121.494 121.223 -0.042 0.000 2.217 352 L HA -0.112 4.230 4.340 0.004 0.000 0.211 352 L C 2.782 179.604 176.870 -0.081 0.000 1.107 352 L CA 0.872 55.682 54.840 -0.049 0.000 0.783 352 L CB -0.657 41.396 42.059 -0.010 0.000 0.919 352 L HN 0.205 nan 8.230 nan 0.000 0.442 353 A N 0.274 123.065 122.820 -0.050 0.000 1.873 353 A HA -0.187 4.135 4.320 0.004 0.000 0.215 353 A C 2.414 179.866 177.584 -0.221 0.000 1.186 353 A CA 1.363 53.350 52.037 -0.084 0.000 0.616 353 A CB -0.422 18.605 19.000 0.044 0.000 0.823 353 A HN 0.278 nan 8.150 nan 0.000 0.442 354 R N -1.230 119.181 120.500 -0.148 0.000 2.148 354 R HA -0.051 4.291 4.340 0.004 0.000 0.227 354 R C 2.025 178.161 176.300 -0.273 0.000 1.103 354 R CA 1.129 57.129 56.100 -0.167 0.000 0.983 354 R CB -0.378 29.871 30.300 -0.085 0.000 0.874 354 R HN 0.509 nan 8.270 nan 0.000 0.451 355 L N 0.307 121.369 121.223 -0.269 0.000 2.056 355 L HA -0.069 4.274 4.340 0.004 0.000 0.207 355 L C 2.114 178.701 176.870 -0.472 0.000 1.078 355 L CA 1.911 56.514 54.840 -0.394 0.000 0.749 355 L CB -0.393 41.546 42.059 -0.200 0.000 0.901 355 L HN 0.069 nan 8.230 nan 0.000 0.433 356 A N -1.001 121.588 122.820 -0.386 0.000 2.016 356 A HA -0.001 4.321 4.320 0.004 0.000 0.217 356 A C 2.086 179.413 177.584 -0.428 0.000 1.162 356 A CA 1.255 53.052 52.037 -0.401 0.000 0.662 356 A CB -0.671 18.043 19.000 -0.477 0.000 0.812 356 A HN 0.476 nan 8.150 nan 0.000 0.450 357 L N -2.244 118.711 121.223 -0.446 0.000 2.599 357 L HA 0.158 4.501 4.340 0.004 0.000 0.230 357 L C 1.184 177.879 176.870 -0.291 0.000 1.141 357 L CA 0.175 54.825 54.840 -0.316 0.000 0.877 357 L CB -0.067 41.842 42.059 -0.250 0.000 1.009 357 L HN 0.392 nan 8.230 nan 0.000 0.447 358 R N -0.565 119.651 120.500 -0.474 0.000 3.878 358 R HA -0.177 4.165 4.340 0.004 0.000 0.330 358 R C 1.055 177.170 176.300 -0.309 0.000 1.186 358 R CA 0.888 56.598 56.100 -0.650 0.000 0.885 358 R CB -2.044 28.085 30.300 -0.284 0.000 1.377 358 R HN 0.510 nan 8.270 nan 0.000 0.523 359 T N -3.653 110.770 114.554 -0.218 0.000 3.069 359 T HA 0.467 4.820 4.350 0.004 0.000 0.252 359 T C 0.783 175.535 174.700 0.086 0.000 1.053 359 T CA 0.213 62.308 62.100 -0.009 0.000 0.964 359 T CB 0.604 69.452 68.868 -0.033 0.000 1.005 359 T HN 0.400 nan 8.240 nan 0.000 0.532 360 A N 2.324 125.174 122.820 0.050 0.000 2.546 360 A HA 0.436 4.759 4.320 0.004 0.000 0.243 360 A C 0.606 178.433 177.584 0.405 0.000 1.063 360 A CA -0.380 51.764 52.037 0.179 0.000 0.757 360 A CB 0.109 19.189 19.000 0.134 0.000 0.991 360 A HN 0.575 nan 8.150 nan 0.000 0.503 361 R N 2.594 123.247 120.500 0.254 0.000 2.549 361 R HA 0.298 4.640 4.340 0.004 0.000 0.259 361 R C -1.851 174.611 176.300 0.269 0.000 1.095 361 R CA -1.744 54.493 56.100 0.228 0.000 1.148 361 R CB -0.146 30.208 30.300 0.089 0.000 1.181 361 R HN 0.387 nan 8.270 nan 0.000 0.571 362 P HA -0.141 nan 4.420 nan 0.000 0.215 362 P C 0.696 178.055 177.300 0.099 0.000 1.153 362 P CA 1.482 64.684 63.100 0.170 0.000 0.853 362 P CB 0.132 31.843 31.700 0.020 0.000 0.788 363 R N -0.798 119.731 120.500 0.050 0.000 2.235 363 R HA -0.063 4.279 4.340 0.004 0.000 0.213 363 R C 1.575 177.884 176.300 0.014 0.000 1.059 363 R CA 0.910 57.020 56.100 0.017 0.000 0.997 363 R CB -0.599 29.699 30.300 -0.004 0.000 0.884 363 R HN 0.281 nan 8.270 nan 0.000 0.462 364 D N 0.920 121.347 120.400 0.043 0.000 2.123 364 D HA -0.094 4.548 4.640 0.004 0.000 0.200 364 D C 1.961 178.271 176.300 0.016 0.000 0.976 364 D CA 0.977 54.995 54.000 0.029 0.000 0.831 364 D CB 0.031 40.865 40.800 0.057 0.000 0.974 364 D HN 0.183 nan 8.370 nan 0.000 0.469 365 L N 0.731 121.988 121.223 0.056 0.000 2.201 365 L HA -0.073 4.269 4.340 0.004 0.000 0.212 365 L C 2.534 179.392 176.870 -0.020 0.000 1.105 365 L CA 0.625 55.475 54.840 0.017 0.000 0.775 365 L CB -0.417 41.661 42.059 0.033 0.000 0.913 365 L HN -0.046 nan 8.230 nan 0.000 0.440 366 A N 0.671 123.491 122.820 -0.000 0.000 1.845 366 A HA -0.205 4.117 4.320 0.004 0.000 0.215 366 A C 2.377 179.947 177.584 -0.024 0.000 1.195 366 A CA 1.438 53.472 52.037 -0.006 0.000 0.616 366 A CB -0.502 18.497 19.000 -0.003 0.000 0.832 366 A HN 0.296 nan 8.150 nan 0.000 0.443 367 R N -1.255 119.217 120.500 -0.046 0.000 2.152 367 R HA -0.069 4.273 4.340 0.004 0.000 0.232 367 R C 2.246 178.476 176.300 -0.116 0.000 1.117 367 R CA 1.369 57.433 56.100 -0.059 0.000 0.981 367 R CB -0.368 29.890 30.300 -0.071 0.000 0.870 367 R HN 0.686 nan 8.270 nan 0.000 0.451 368 M N 0.426 119.905 119.600 -0.202 0.000 2.123 368 M HA -0.177 4.305 4.480 0.004 0.000 0.263 368 M C 2.432 178.261 176.300 -0.785 0.000 1.069 368 M CA 1.524 56.540 55.300 -0.473 0.000 1.133 368 M CB -0.093 32.275 32.600 -0.386 0.000 1.356 368 M HN -0.001 nan 8.290 nan 0.000 0.415 369 R N -1.044 119.229 120.500 -0.379 0.000 2.083 369 R HA -0.273 4.069 4.340 0.004 0.000 0.237 369 R C 2.133 178.387 176.300 -0.077 0.000 1.137 369 R CA 2.434 58.443 56.100 -0.152 0.000 0.951 369 R CB -0.691 29.613 30.300 0.007 0.000 0.851 369 R HN 0.516 nan 8.270 nan 0.000 0.434 370 H N -0.227 118.768 119.070 -0.125 0.000 2.422 370 H HA -0.073 4.485 4.556 0.004 0.000 0.298 370 H C 1.733 177.020 175.328 -0.067 0.000 1.098 370 H CA 1.994 58.003 56.048 -0.065 0.000 1.315 370 H CB -0.038 29.689 29.762 -0.058 0.000 1.382 370 H HN 0.429 nan 8.280 nan 0.000 0.523 371 A N 0.082 122.855 122.820 -0.078 0.000 1.855 371 A HA -0.106 4.216 4.320 0.004 0.000 0.215 371 A C 1.934 179.542 177.584 0.041 0.000 1.191 371 A CA 1.319 53.316 52.037 -0.067 0.000 0.613 371 A CB -0.942 17.962 19.000 -0.160 0.000 0.829 371 A HN 0.431 nan 8.150 nan 0.000 0.442 372 F N 0.531 120.512 119.950 0.051 0.000 2.225 372 F HA -0.217 4.312 4.527 0.003 0.000 0.302 372 F C 2.493 178.307 175.800 0.023 0.000 1.068 372 F CA 1.345 59.390 58.000 0.076 0.000 1.327 372 F CB -1.104 37.950 39.000 0.090 0.000 1.043 372 F HN 0.365 nan 8.300 nan 0.000 0.506 373 Q N -0.582 119.289 119.800 0.118 0.000 2.378 373 Q HA -0.119 4.224 4.340 0.004 0.000 0.205 373 Q C 1.818 177.798 176.000 -0.033 0.000 0.954 373 Q CA 0.663 56.468 55.803 0.004 0.000 0.901 373 Q CB -0.046 28.624 28.738 -0.114 0.000 0.981 373 Q HN 0.377 nan 8.270 nan 0.000 0.483 374 Q N -0.149 119.634 119.800 -0.028 0.000 2.425 374 Q HA 0.051 4.393 4.340 0.004 0.000 0.204 374 Q C 1.816 177.840 176.000 0.040 0.000 0.933 374 Q CA 0.434 56.234 55.803 -0.006 0.000 0.939 374 Q CB 0.246 28.985 28.738 0.002 0.000 1.044 374 Q HN 0.425 nan 8.270 nan 0.000 0.513 375 L N 0.875 122.145 121.223 0.079 0.000 2.093 375 L HA -0.107 4.235 4.340 0.004 0.000 0.208 375 L C -0.564 176.329 176.870 0.037 0.000 1.085 375 L CA 1.165 56.054 54.840 0.081 0.000 0.755 375 L CB -1.702 40.433 42.059 0.128 0.000 0.904 375 L HN 0.126 nan 8.230 nan 0.000 0.435 376 P HA -0.187 nan 4.420 nan 0.000 0.215 376 P C 1.352 178.659 177.300 0.011 0.000 1.157 376 P CA 1.196 64.302 63.100 0.009 0.000 0.863 376 P CB 0.130 31.835 31.700 0.008 0.000 0.787 377 E N -0.185 120.024 120.200 0.015 0.000 2.110 377 E HA -0.133 4.219 4.350 0.004 0.000 0.193 377 E C 1.936 178.551 176.600 0.025 0.000 0.988 377 E CA 1.055 57.466 56.400 0.018 0.000 0.804 377 E CB -1.152 28.557 29.700 0.016 0.000 0.745 377 E HN 0.104 nan 8.360 nan 0.000 0.458 378 L N -0.200 121.039 121.223 0.027 0.000 2.056 378 L HA -0.103 4.239 4.340 0.004 0.000 0.207 378 L C 2.699 179.578 176.870 0.016 0.000 1.078 378 L CA 1.293 56.150 54.840 0.028 0.000 0.749 378 L CB -0.338 41.741 42.059 0.034 0.000 0.901 378 L HN 0.103 nan 8.230 nan 0.000 0.433 379 R N -0.152 120.353 120.500 0.009 0.000 2.091 379 R HA -0.159 4.184 4.340 0.004 0.000 0.238 379 R C 2.402 178.701 176.300 -0.002 0.000 1.136 379 R CA 1.457 57.554 56.100 -0.005 0.000 0.959 379 R CB -0.421 29.870 30.300 -0.015 0.000 0.856 379 R HN 0.359 nan 8.270 nan 0.000 0.437 380 A N 0.728 123.553 122.820 0.009 0.000 1.930 380 A HA -0.173 4.149 4.320 0.004 0.000 0.217 380 A C 2.008 179.612 177.584 0.034 0.000 1.175 380 A CA 1.050 53.097 52.037 0.017 0.000 0.627 380 A CB -0.279 18.733 19.000 0.019 0.000 0.815 380 A HN 0.310 nan 8.150 nan 0.000 0.443 381 Q N -0.517 119.311 119.800 0.046 0.000 2.079 381 Q HA -0.019 4.323 4.340 0.004 0.000 0.200 381 Q C 1.911 177.940 176.000 0.049 0.000 0.974 381 Q CA 1.203 57.060 55.803 0.091 0.000 0.840 381 Q CB -0.236 28.565 28.738 0.106 0.000 0.898 381 Q HN 0.648 nan 8.270 nan 0.000 0.430 382 L N 0.428 121.642 121.223 -0.015 0.000 2.478 382 L HA -0.092 4.250 4.340 0.004 0.000 0.223 382 L C 2.194 179.008 176.870 -0.093 0.000 1.140 382 L CA 0.462 55.246 54.840 -0.094 0.000 0.842 382 L CB -0.224 41.793 42.059 -0.070 0.000 0.953 382 L HN 0.311 nan 8.230 nan 0.000 0.452 383 E N 0.442 120.617 120.200 -0.040 0.000 2.077 383 E HA -0.222 4.130 4.350 0.004 0.000 0.193 383 E C 2.027 178.607 176.600 -0.033 0.000 0.989 383 E CA 1.905 58.286 56.400 -0.032 0.000 0.800 383 E CB 0.167 29.861 29.700 -0.010 0.000 0.746 383 E HN 0.497 nan 8.360 nan 0.000 0.452 384 T N -1.734 112.818 114.554 -0.004 0.000 3.035 384 T HA 0.005 4.357 4.350 0.004 0.000 0.268 384 T C 0.914 175.592 174.700 -0.037 0.000 1.109 384 T CA 0.167 62.291 62.100 0.041 0.000 1.119 384 T CB -0.050 68.921 68.868 0.171 0.000 0.900 384 T HN -0.105 nan 8.240 nan 0.000 0.503 385 V N 3.629 123.390 119.914 -0.256 0.000 2.397 385 V HA 0.180 4.302 4.120 0.004 0.000 0.262 385 V C 0.278 176.253 176.094 -0.198 0.000 1.047 385 V CA -0.793 61.241 62.300 -0.443 0.000 1.003 385 V CB -0.012 31.380 31.823 -0.718 0.000 1.037 385 V HN 0.506 nan 8.190 nan 0.000 0.480 386 D N 4.666 125.003 120.400 -0.105 0.000 2.359 386 D HA 0.314 4.957 4.640 0.004 0.000 0.250 386 D C -0.148 176.121 176.300 -0.052 0.000 1.264 386 D CA 0.417 54.386 54.000 -0.051 0.000 0.911 386 D CB 0.539 41.334 40.800 -0.009 0.000 1.056 386 D HN 0.526 nan 8.370 nan 0.000 0.499 387 S N 2.495 118.163 115.700 -0.054 0.000 2.546 387 S HA 0.467 4.939 4.470 0.004 0.000 0.303 387 S C 0.582 175.162 174.600 -0.033 0.000 1.067 387 S CA -0.144 58.033 58.200 -0.038 0.000 0.944 387 S CB 0.318 63.487 63.200 -0.053 0.000 1.155 387 S HN 0.487 nan 8.310 nan 0.000 0.449 388 A N 5.986 128.795 122.820 -0.017 0.000 1.902 388 A HA 0.143 4.465 4.320 0.004 0.000 0.217 388 A C -0.768 176.808 177.584 -0.012 0.000 1.181 388 A CA 1.765 53.793 52.037 -0.015 0.000 0.623 388 A CB -1.657 17.338 19.000 -0.008 0.000 0.818 388 A HN 0.654 nan 8.150 nan 0.000 0.443 389 P HA -0.106 nan 4.420 nan 0.000 0.216 389 P C 1.539 178.836 177.300 -0.004 0.000 1.150 389 P CA 1.260 64.361 63.100 0.002 0.000 0.837 389 P CB -0.102 31.605 31.700 0.012 0.000 0.786 390 V N -0.299 119.600 119.914 -0.024 0.000 2.515 390 V HA -0.208 3.914 4.120 0.004 0.000 0.250 390 V C 2.427 178.496 176.094 -0.041 0.000 1.058 390 V CA 1.594 63.869 62.300 -0.042 0.000 1.064 390 V CB -1.060 30.707 31.823 -0.094 0.000 0.675 390 V HN 0.142 nan 8.190 nan 0.000 0.461 391 Q N -0.036 119.740 119.800 -0.039 0.000 2.172 391 Q HA -0.006 4.336 4.340 0.004 0.000 0.200 391 Q C 2.417 178.404 176.000 -0.022 0.000 0.964 391 Q CA 1.608 57.390 55.803 -0.035 0.000 0.855 391 Q CB -0.520 28.197 28.738 -0.034 0.000 0.918 391 Q HN 0.641 nan 8.270 nan 0.000 0.444 392 A N 0.597 123.409 122.820 -0.012 0.000 1.969 392 A HA -0.073 4.250 4.320 0.004 0.000 0.218 392 A C 2.133 179.721 177.584 0.006 0.000 1.169 392 A CA 0.835 52.870 52.037 -0.003 0.000 0.635 392 A CB -0.471 18.530 19.000 0.003 0.000 0.810 392 A HN 0.294 nan 8.150 nan 0.000 0.445 393 L N -1.517 119.712 121.223 0.009 0.000 2.341 393 L HA 0.019 4.361 4.340 0.004 0.000 0.214 393 L C 2.630 179.508 176.870 0.012 0.000 1.115 393 L CA 0.786 55.639 54.840 0.022 0.000 0.820 393 L CB -0.282 41.796 42.059 0.031 0.000 0.944 393 L HN 0.397 nan 8.230 nan 0.000 0.452 394 R N 0.303 120.799 120.500 -0.007 0.000 2.092 394 R HA -0.203 4.139 4.340 0.004 0.000 0.231 394 R C 2.146 178.433 176.300 -0.020 0.000 1.119 394 R CA 1.441 57.531 56.100 -0.016 0.000 0.970 394 R CB 0.156 30.438 30.300 -0.031 0.000 0.864 394 R HN 0.183 nan 8.270 nan 0.000 0.440 395 E N 0.371 120.558 120.200 -0.021 0.000 2.170 395 E HA -0.113 4.239 4.350 0.004 0.000 0.191 395 E C 1.669 178.253 176.600 -0.027 0.000 0.981 395 E CA 1.134 57.515 56.400 -0.032 0.000 0.830 395 E CB 0.149 29.833 29.700 -0.027 0.000 0.775 395 E HN 0.161 nan 8.360 nan 0.000 0.470 396 K N -0.256 120.146 120.400 0.002 0.000 2.116 396 K HA -0.019 4.303 4.320 0.004 0.000 0.203 396 K C 2.147 178.777 176.600 0.050 0.000 1.052 396 K CA 1.018 57.322 56.287 0.028 0.000 0.952 396 K CB -0.144 32.383 32.500 0.046 0.000 0.729 396 K HN 0.185 nan 8.250 nan 0.000 0.446 397 M N 0.428 120.056 119.600 0.047 0.000 2.146 397 M HA -0.199 4.283 4.480 0.004 0.000 0.256 397 M C 0.864 177.197 176.300 0.055 0.000 1.075 397 M CA 1.968 57.314 55.300 0.077 0.000 1.082 397 M CB -0.578 32.051 32.600 0.050 0.000 1.355 397 M HN 0.469 nan 8.290 nan 0.000 0.402 398 G N -0.564 108.178 108.800 -0.096 0.000 2.645 398 G HA2 -0.328 3.634 3.960 0.004 0.000 0.239 398 G HA3 -0.328 3.634 3.960 0.004 0.000 0.239 398 G C 0.058 174.709 174.900 -0.416 0.000 1.331 398 G CA 0.295 45.162 45.100 -0.387 0.000 0.890 398 G HN 0.541 nan 8.290 nan 0.000 0.572 399 E N -2.725 116.989 120.200 -0.811 0.000 2.926 399 E HA 0.256 4.608 4.350 0.004 0.000 0.232 399 E C 0.033 176.424 176.600 -0.350 0.000 1.095 399 E CA 0.206 56.362 56.400 -0.407 0.000 1.755 399 E CB 0.475 30.007 29.700 -0.280 0.000 2.411 399 E HN 0.941 nan 8.360 nan 0.000 1.046 400 F N 0.191 119.983 119.950 -0.262 0.000 2.905 400 F HA -0.256 4.272 4.527 0.003 0.000 0.291 400 F C 0.877 176.473 175.800 -0.339 0.000 1.002 400 F CA 0.486 58.237 58.000 -0.415 0.000 0.978 400 F CB -1.987 36.529 39.000 -0.806 0.000 1.036 400 F HN 0.213 nan 8.300 nan 0.000 0.820 401 A N -0.429 122.324 122.820 -0.111 0.000 1.877 401 A HA -0.163 4.159 4.320 0.004 0.000 0.216 401 A C 2.070 179.636 177.584 -0.030 0.000 1.186 401 A CA 1.947 53.950 52.037 -0.056 0.000 0.620 401 A CB -0.308 18.659 19.000 -0.055 0.000 0.822 401 A HN 0.549 nan 8.150 nan 0.000 0.443 402 E N 0.183 120.363 120.200 -0.034 0.000 2.033 402 E HA -0.199 4.153 4.350 0.004 0.000 0.199 402 E C 1.949 178.561 176.600 0.021 0.000 1.011 402 E CA 1.756 58.157 56.400 0.002 0.000 0.815 402 E CB -0.403 29.301 29.700 0.007 0.000 0.755 402 E HN 0.628 nan 8.360 nan 0.000 0.451 403 L N 0.207 121.421 121.223 -0.015 0.000 2.141 403 L HA -0.108 4.234 4.340 0.004 0.000 0.209 403 L C 2.666 179.588 176.870 0.087 0.000 1.094 403 L CA 0.947 55.791 54.840 0.008 0.000 0.763 403 L CB -0.483 41.507 42.059 -0.116 0.000 0.908 403 L HN 0.100 nan 8.230 nan 0.000 0.437 404 R N 0.757 121.286 120.500 0.048 0.000 2.070 404 R HA -0.229 4.113 4.340 0.004 0.000 0.233 404 R C 1.958 178.344 176.300 0.143 0.000 1.137 404 R CA 2.301 58.545 56.100 0.240 0.000 0.945 404 R CB -0.325 30.091 30.300 0.194 0.000 0.845 404 R HN 0.265 nan 8.270 nan 0.000 0.430 405 D N 0.369 120.819 120.400 0.083 0.000 2.218 405 D HA -0.169 4.474 4.640 0.004 0.000 0.204 405 D C 1.892 178.231 176.300 0.065 0.000 0.976 405 D CA 0.718 54.758 54.000 0.066 0.000 0.853 405 D CB -0.006 40.824 40.800 0.050 0.000 0.939 405 D HN 0.246 nan 8.370 nan 0.000 0.481 406 L N -0.084 121.181 121.223 0.069 0.000 2.044 406 L HA 0.035 4.377 4.340 0.004 0.000 0.205 406 L C 2.011 178.871 176.870 -0.016 0.000 1.075 406 L CA 1.454 56.323 54.840 0.049 0.000 0.747 406 L CB -0.529 41.571 42.059 0.068 0.000 0.903 406 L HN 0.092 nan 8.230 nan 0.000 0.435 407 L N -0.607 120.636 121.223 0.033 0.000 2.376 407 L HA -0.098 4.244 4.340 0.004 0.000 0.219 407 L C 2.317 179.183 176.870 -0.007 0.000 1.133 407 L CA 0.896 55.737 54.840 0.002 0.000 0.816 407 L CB -0.518 41.584 42.059 0.073 0.000 0.933 407 L HN 0.422 nan 8.230 nan 0.000 0.449 408 E N 0.022 120.235 120.200 0.022 0.000 2.170 408 E HA -0.087 4.265 4.350 0.004 0.000 0.191 408 E C 1.883 178.484 176.600 0.002 0.000 0.981 408 E CA 0.452 56.865 56.400 0.022 0.000 0.830 408 E CB 0.156 29.882 29.700 0.044 0.000 0.775 408 E HN 0.397 nan 8.360 nan 0.000 0.470 409 R N -0.123 120.372 120.500 -0.007 0.000 2.310 409 R HA 0.179 4.522 4.340 0.004 0.000 0.202 409 R C 1.331 177.549 176.300 -0.137 0.000 0.933 409 R CA 0.459 56.564 56.100 0.009 0.000 1.054 409 R CB 0.484 30.843 30.300 0.099 0.000 0.985 409 R HN 0.056 nan 8.270 nan 0.000 0.489 410 A N 0.580 123.225 122.820 -0.292 0.000 2.016 410 A HA 0.239 4.561 4.320 0.004 0.000 0.202 410 A C 0.465 177.894 177.584 -0.257 0.000 1.632 410 A CA 0.048 51.725 52.037 -0.600 0.000 0.891 410 A CB 0.557 19.127 19.000 -0.717 0.000 1.103 410 A HN -0.029 nan 8.150 nan 0.000 0.547 411 I N 2.315 122.802 120.570 -0.138 0.000 2.499 411 I HA 0.311 4.483 4.170 0.004 0.000 0.296 411 I C 0.596 176.701 176.117 -0.020 0.000 0.992 411 I CA -1.184 60.089 61.300 -0.046 0.000 1.297 411 I CB 0.572 38.566 38.000 -0.010 0.000 1.410 411 I HN 0.543 nan 8.210 nan 0.000 0.507 412 I N 1.468 122.037 120.570 -0.002 0.000 3.378 412 I HA 0.195 4.367 4.170 0.004 0.000 0.284 412 I C 0.910 177.034 176.117 0.011 0.000 1.157 412 I CA -0.146 61.159 61.300 0.007 0.000 1.193 412 I CB 0.402 38.408 38.000 0.009 0.000 1.461 412 I HN 0.402 nan 8.210 nan 0.000 0.674 413 D N 0.781 121.190 120.400 0.014 0.000 2.117 413 D HA -0.067 4.575 4.640 0.004 0.000 0.198 413 D C 0.762 177.070 176.300 0.013 0.000 0.982 413 D CA 1.959 55.970 54.000 0.019 0.000 0.828 413 D CB -0.275 40.538 40.800 0.022 0.000 0.967 413 D HN 0.826 nan 8.370 nan 0.000 0.464 414 T N -0.362 114.195 114.554 0.005 0.000 3.038 414 T HA 0.444 4.796 4.350 0.004 0.000 0.344 414 T C -2.764 171.932 174.700 -0.006 0.000 1.054 414 T CA -1.606 60.492 62.100 -0.003 0.000 1.092 414 T CB 2.421 71.285 68.868 -0.008 0.000 1.031 414 T HN -0.182 nan 8.240 nan 0.000 0.482 415 P HA 0.439 nan 4.420 nan 0.000 0.274 415 P C -2.511 174.777 177.300 -0.020 0.000 1.256 415 P CA -1.463 61.630 63.100 -0.011 0.000 0.795 415 P CB 0.029 31.727 31.700 -0.003 0.000 1.038 416 P HA 0.040 nan 4.420 nan 0.000 0.275 416 P C 1.083 178.360 177.300 -0.038 0.000 1.266 416 P CA -0.255 62.824 63.100 -0.035 0.000 0.793 416 P CB 0.558 32.232 31.700 -0.044 0.000 1.074 417 V N -0.376 119.517 119.914 -0.035 0.000 2.490 417 V HA -0.150 3.972 4.120 0.004 0.000 0.250 417 V C 1.355 177.427 176.094 -0.038 0.000 1.061 417 V CA 1.742 64.025 62.300 -0.029 0.000 1.064 417 V CB -0.889 30.919 31.823 -0.025 0.000 0.670 417 V HN 0.342 nan 8.190 nan 0.000 0.461 418 L N -1.579 119.609 121.223 -0.059 0.000 2.279 418 L HA 0.430 4.773 4.340 0.004 0.000 0.262 418 L C 0.902 177.679 176.870 -0.154 0.000 1.019 418 L CA -0.445 54.345 54.840 -0.084 0.000 0.823 418 L CB 1.723 43.751 42.059 -0.052 0.000 1.358 418 L HN -0.078 nan 8.230 nan 0.000 0.432 419 V N -2.529 117.245 119.914 -0.233 0.000 3.471 419 V HA 0.077 4.200 4.120 0.004 0.000 0.258 419 V C 2.193 178.183 176.094 -0.173 0.000 1.192 419 V CA 0.525 62.638 62.300 -0.310 0.000 1.116 419 V CB -0.613 30.857 31.823 -0.589 0.000 0.792 419 V HN 0.908 nan 8.190 nan 0.000 0.459 420 R N 1.307 121.743 120.500 -0.106 0.000 2.119 420 R HA -0.243 4.099 4.340 0.004 0.000 0.246 420 R C 1.265 177.534 176.300 -0.051 0.000 1.146 420 R CA 2.487 58.557 56.100 -0.050 0.000 0.962 420 R CB -0.425 29.878 30.300 0.004 0.000 0.863 420 R HN 0.539 nan 8.270 nan 0.000 0.442 421 D N -0.034 120.331 120.400 -0.059 0.000 2.325 421 D HA 0.160 4.802 4.640 0.004 0.000 0.225 421 D C 0.879 177.143 176.300 -0.060 0.000 1.096 421 D CA 0.862 54.830 54.000 -0.053 0.000 0.844 421 D CB 0.409 41.180 40.800 -0.048 0.000 0.925 421 D HN 0.523 nan 8.370 nan 0.000 0.513 422 G N 0.978 109.734 108.800 -0.074 0.000 2.598 422 G HA2 -0.129 3.834 3.960 0.004 0.000 0.269 422 G HA3 -0.129 3.834 3.960 0.004 0.000 0.269 422 G C 0.797 175.664 174.900 -0.056 0.000 1.289 422 G CA 0.247 45.307 45.100 -0.067 0.000 0.926 422 G HN 0.869 nan 8.290 nan 0.000 0.567 423 G N -3.067 105.713 108.800 -0.034 0.000 2.314 423 G HA2 0.108 4.070 3.960 0.004 0.000 0.292 423 G HA3 0.108 4.070 3.960 0.004 0.000 0.292 423 G C 0.752 175.637 174.900 -0.023 0.000 1.059 423 G CA 1.164 46.251 45.100 -0.021 0.000 0.982 423 G HN 1.827 nan 8.290 nan 0.000 0.505 424 V N -0.126 119.775 119.914 -0.022 0.000 3.161 424 V HA 0.308 4.430 4.120 0.004 0.000 0.221 424 V C 1.531 177.631 176.094 0.010 0.000 1.296 424 V CA 0.487 62.774 62.300 -0.021 0.000 1.306 424 V CB 0.022 31.801 31.823 -0.073 0.000 1.171 424 V HN 0.363 nan 8.190 nan 0.000 0.513 425 I N 1.506 122.093 120.570 0.028 0.000 2.754 425 I HA 0.337 4.509 4.170 0.004 0.000 0.285 425 I C 0.618 176.766 176.117 0.052 0.000 1.166 425 I CA 0.500 61.827 61.300 0.045 0.000 1.417 425 I CB 0.508 38.571 38.000 0.105 0.000 1.382 425 I HN 0.274 nan 8.210 nan 0.000 0.588 426 A N 5.134 127.985 122.820 0.051 0.000 2.248 426 A HA 0.599 4.921 4.320 0.004 0.000 0.316 426 A C 0.215 177.858 177.584 0.099 0.000 1.101 426 A CA -0.445 51.627 52.037 0.058 0.000 0.875 426 A CB 0.424 19.444 19.000 0.033 0.000 1.207 426 A HN 0.677 nan 8.150 nan 0.000 0.504 427 S N -0.790 114.956 115.700 0.077 0.000 2.548 427 S HA 0.470 4.942 4.470 0.004 0.000 0.277 427 S C 1.245 175.901 174.600 0.093 0.000 1.315 427 S CA 0.677 58.924 58.200 0.077 0.000 1.050 427 S CB 0.887 64.119 63.200 0.053 0.000 0.918 427 S HN 2.119 nan 8.310 nan 0.000 0.497 428 G N 1.604 110.457 108.800 0.087 0.000 2.268 428 G HA2 -0.343 3.619 3.960 0.004 0.000 0.240 428 G HA3 -0.343 3.619 3.960 0.004 0.000 0.240 428 G C 0.700 175.665 174.900 0.108 0.000 1.010 428 G CA 0.482 45.630 45.100 0.079 0.000 0.618 428 G HN 0.709 nan 8.290 nan 0.000 0.516 429 Y N 1.846 122.160 120.300 0.023 0.000 2.200 429 Y HA 0.181 4.733 4.550 0.004 0.000 0.290 429 Y C 1.115 177.029 175.900 0.023 0.000 1.137 429 Y CA 1.829 59.943 58.100 0.024 0.000 1.163 429 Y CB 0.265 38.741 38.460 0.027 0.000 0.988 429 Y HN 0.337 nan 8.280 nan 0.000 0.518 430 N N 0.129 118.791 118.700 -0.063 0.000 2.430 430 N HA 0.060 4.803 4.740 0.004 0.000 0.290 430 N C 0.068 175.562 175.510 -0.027 0.000 1.063 430 N CA 0.171 53.146 53.050 -0.124 0.000 0.883 430 N CB 1.456 39.898 38.487 -0.075 0.000 1.465 430 N HN 0.504 nan 8.380 nan 0.000 0.493 431 E N 1.567 121.738 120.200 -0.049 0.000 2.358 431 E HA -0.056 4.296 4.350 0.004 0.000 0.195 431 E C 0.877 177.449 176.600 -0.047 0.000 1.010 431 E CA 0.706 57.084 56.400 -0.037 0.000 0.856 431 E CB 0.201 29.873 29.700 -0.047 0.000 0.795 431 E HN 0.611 nan 8.360 nan 0.000 0.504 432 E N 0.352 120.529 120.200 -0.038 0.000 2.208 432 E HA -0.121 4.231 4.350 0.004 0.000 0.193 432 E C 1.791 178.422 176.600 0.052 0.000 0.988 432 E CA 0.421 56.791 56.400 -0.050 0.000 0.828 432 E CB 0.148 29.854 29.700 0.010 0.000 0.763 432 E HN 0.321 nan 8.360 nan 0.000 0.478 433 L N 1.020 122.313 121.223 0.116 0.000 2.162 433 L HA -0.053 4.289 4.340 0.004 0.000 0.205 433 L C 1.505 178.460 176.870 0.142 0.000 1.086 433 L CA 1.494 56.450 54.840 0.193 0.000 0.778 433 L CB -0.028 42.123 42.059 0.153 0.000 0.928 433 L HN -0.027 nan 8.230 nan 0.000 0.446 434 D N -0.318 120.126 120.400 0.074 0.000 2.144 434 D HA -0.246 4.396 4.640 0.004 0.000 0.200 434 D C 1.873 178.190 176.300 0.028 0.000 0.978 434 D CA 1.394 55.424 54.000 0.051 0.000 0.833 434 D CB 0.061 40.878 40.800 0.028 0.000 0.961 434 D HN 0.599 nan 8.370 nan 0.000 0.470 435 E N -0.333 119.852 120.200 -0.025 0.000 2.150 435 E HA -0.163 4.190 4.350 0.004 0.000 0.193 435 E C 1.856 178.393 176.600 -0.105 0.000 0.985 435 E CA 0.782 57.111 56.400 -0.118 0.000 0.814 435 E CB -0.136 29.421 29.700 -0.240 0.000 0.752 435 E HN 0.389 nan 8.360 nan 0.000 0.466 436 W N 0.283 121.575 121.300 -0.014 0.000 2.523 436 W HA 0.100 4.762 4.660 0.004 0.000 0.278 436 W C 2.512 179.017 176.519 -0.024 0.000 1.236 436 W CA 0.034 57.367 57.345 -0.021 0.000 1.306 436 W CB 0.262 29.710 29.460 -0.020 0.000 1.101 436 W HN -0.008 nan 8.180 nan 0.000 0.577 437 R N 0.197 120.826 120.500 0.215 0.000 2.090 437 R HA -0.071 4.271 4.340 0.004 0.000 0.228 437 R C 2.365 178.715 176.300 0.084 0.000 1.110 437 R CA 1.330 57.501 56.100 0.117 0.000 0.973 437 R CB -0.763 29.587 30.300 0.083 0.000 0.869 437 R HN 0.082 nan 8.270 nan 0.000 0.440 438 A N 1.158 124.017 122.820 0.067 0.000 1.873 438 A HA -0.195 4.127 4.320 0.004 0.000 0.218 438 A C 1.835 179.444 177.584 0.042 0.000 1.193 438 A CA 1.493 53.551 52.037 0.035 0.000 0.629 438 A CB -0.481 18.519 19.000 -0.001 0.000 0.826 438 A HN 0.096 nan 8.150 nan 0.000 0.447 439 L N -0.915 120.341 121.223 0.055 0.000 2.156 439 L HA 0.040 4.382 4.340 0.004 0.000 0.208 439 L C 2.304 179.205 176.870 0.052 0.000 1.095 439 L CA 1.386 56.260 54.840 0.056 0.000 0.770 439 L CB -1.516 40.592 42.059 0.083 0.000 0.914 439 L HN 0.388 nan 8.230 nan 0.000 0.439 440 A N -1.056 121.800 122.820 0.061 0.000 2.840 440 A HA 0.132 4.454 4.320 0.004 0.000 0.269 440 A C 0.411 178.017 177.584 0.037 0.000 1.439 440 A CA 0.076 52.123 52.037 0.017 0.000 1.083 440 A CB -0.703 18.298 19.000 0.002 0.000 1.019 440 A HN 0.208 nan 8.150 nan 0.000 0.607 441 D N -0.586 119.850 120.400 0.059 0.000 2.819 441 D HA 0.145 4.787 4.640 0.004 0.000 0.326 441 D C 1.315 177.677 176.300 0.102 0.000 1.408 441 D CA 0.470 54.511 54.000 0.069 0.000 0.811 441 D CB 0.650 41.481 40.800 0.052 0.000 1.148 441 D HN 0.416 nan 8.370 nan 0.000 0.457 442 G N 0.198 109.093 108.800 0.160 0.000 2.880 442 G HA2 0.055 4.017 3.960 0.004 0.000 0.209 442 G HA3 0.055 4.017 3.960 0.004 0.000 0.209 442 G C 1.558 176.625 174.900 0.279 0.000 1.157 442 G CA 0.687 45.937 45.100 0.250 0.000 0.779 442 G HN 0.279 nan 8.290 nan 0.000 0.539 443 A N 1.024 123.987 122.820 0.238 0.000 1.883 443 A HA -0.048 4.274 4.320 0.004 0.000 0.217 443 A C 2.491 180.153 177.584 0.131 0.000 1.186 443 A CA 2.424 54.585 52.037 0.206 0.000 0.624 443 A CB -1.020 18.055 19.000 0.126 0.000 0.822 443 A HN 0.301 nan 8.150 nan 0.000 0.444 444 T N 1.061 115.670 114.554 0.092 0.000 2.453 444 T HA -0.163 4.190 4.350 0.004 0.000 0.243 444 T C 1.520 176.249 174.700 0.047 0.000 1.254 444 T CA 1.769 63.905 62.100 0.059 0.000 1.327 444 T CB -0.904 67.992 68.868 0.045 0.000 0.885 444 T HN 0.735 nan 8.240 nan 0.000 0.391 445 D N 0.628 121.056 120.400 0.046 0.000 2.106 445 D HA -0.192 4.450 4.640 0.004 0.000 0.194 445 D C 1.979 178.271 176.300 -0.013 0.000 0.988 445 D CA 1.512 55.523 54.000 0.019 0.000 0.845 445 D CB -1.190 39.628 40.800 0.030 0.000 0.990 445 D HN 0.501 nan 8.370 nan 0.000 0.448 446 Y N 0.930 121.158 120.300 -0.119 0.000 2.139 446 Y HA -0.237 4.315 4.550 0.004 0.000 0.282 446 Y C 2.125 177.846 175.900 -0.299 0.000 1.179 446 Y CA 1.645 59.599 58.100 -0.244 0.000 1.161 446 Y CB -0.336 37.874 38.460 -0.417 0.000 0.970 446 Y HN 0.011 nan 8.280 nan 0.000 0.511 447 L N -0.232 120.885 121.223 -0.176 0.000 2.095 447 L HA -0.135 4.207 4.340 0.004 0.000 0.204 447 L C 2.611 179.367 176.870 -0.191 0.000 1.080 447 L CA 1.504 56.230 54.840 -0.191 0.000 0.759 447 L CB -0.550 41.523 42.059 0.023 0.000 0.914 447 L HN 0.249 nan 8.230 nan 0.000 0.439 448 E N 0.143 120.271 120.200 -0.120 0.000 2.153 448 E HA -0.202 4.151 4.350 0.004 0.000 0.194 448 E C 2.334 178.847 176.600 -0.145 0.000 0.988 448 E CA 0.878 57.221 56.400 -0.095 0.000 0.811 448 E CB 0.235 29.904 29.700 -0.051 0.000 0.746 448 E HN 0.355 nan 8.360 nan 0.000 0.466 449 R N 0.242 120.611 120.500 -0.219 0.000 2.062 449 R HA -0.124 4.218 4.340 0.004 0.000 0.229 449 R C 2.616 178.742 176.300 -0.291 0.000 1.128 449 R CA 0.810 56.770 56.100 -0.233 0.000 0.960 449 R CB -0.751 29.402 30.300 -0.246 0.000 0.855 449 R HN 0.215 nan 8.270 nan 0.000 0.432 450 L N 1.775 122.706 121.223 -0.488 0.000 2.127 450 L HA -0.146 4.196 4.340 0.004 0.000 0.211 450 L C 2.204 178.947 176.870 -0.212 0.000 1.089 450 L CA 1.838 56.422 54.840 -0.426 0.000 0.757 450 L CB -0.445 41.233 42.059 -0.635 0.000 0.899 450 L HN 0.191 nan 8.230 nan 0.000 0.434 451 E N -0.665 119.431 120.200 -0.173 0.000 2.015 451 E HA -0.176 4.176 4.350 0.004 0.000 0.191 451 E C 2.017 178.586 176.600 -0.051 0.000 0.991 451 E CA 1.763 58.117 56.400 -0.077 0.000 0.802 451 E CB -0.096 29.572 29.700 -0.053 0.000 0.759 451 E HN 0.395 nan 8.360 nan 0.000 0.447 452 V N 1.238 121.112 119.914 -0.067 0.000 2.515 452 V HA -0.215 3.908 4.120 0.004 0.000 0.250 452 V C 2.564 178.631 176.094 -0.045 0.000 1.058 452 V CA 1.993 64.265 62.300 -0.046 0.000 1.064 452 V CB -0.620 31.173 31.823 -0.050 0.000 0.675 452 V HN 0.272 nan 8.190 nan 0.000 0.461 453 R N 0.337 120.796 120.500 -0.067 0.000 2.070 453 R HA -0.151 4.191 4.340 0.004 0.000 0.233 453 R C 2.227 178.511 176.300 -0.028 0.000 1.137 453 R CA 1.698 57.764 56.100 -0.057 0.000 0.945 453 R CB -0.181 30.066 30.300 -0.089 0.000 0.845 453 R HN 0.424 nan 8.270 nan 0.000 0.430 454 E N 0.070 120.262 120.200 -0.014 0.000 2.285 454 E HA -0.143 4.210 4.350 0.004 0.000 0.194 454 E C 1.927 178.549 176.600 0.036 0.000 0.997 454 E CA 0.579 57.002 56.400 0.038 0.000 0.845 454 E CB -0.047 29.709 29.700 0.094 0.000 0.782 454 E HN 0.355 nan 8.360 nan 0.000 0.491 455 R N 0.962 121.472 120.500 0.017 0.000 2.073 455 R HA -0.079 4.263 4.340 0.004 0.000 0.229 455 R C 2.225 178.523 176.300 -0.002 0.000 1.120 455 R CA 1.035 57.143 56.100 0.014 0.000 0.967 455 R CB 0.118 30.424 30.300 0.011 0.000 0.862 455 R HN 0.031 nan 8.270 nan 0.000 0.436 456 E N 0.405 120.599 120.200 -0.011 0.000 2.047 456 E HA -0.230 4.122 4.350 0.004 0.000 0.191 456 E C 2.032 178.620 176.600 -0.021 0.000 0.987 456 E CA 1.056 57.446 56.400 -0.016 0.000 0.799 456 E CB -0.003 29.685 29.700 -0.020 0.000 0.752 456 E HN 0.240 nan 8.360 nan 0.000 0.449 457 R N 0.090 120.577 120.500 -0.021 0.000 2.081 457 R HA -0.112 4.231 4.340 0.004 0.000 0.235 457 R C 2.359 178.632 176.300 -0.045 0.000 1.131 457 R CA 2.127 58.210 56.100 -0.028 0.000 0.960 457 R CB -0.276 30.012 30.300 -0.021 0.000 0.856 457 R HN 0.192 nan 8.270 nan 0.000 0.436 458 T N -3.552 110.973 114.554 -0.049 0.000 3.067 458 T HA 0.155 4.507 4.350 0.004 0.000 0.257 458 T C 1.308 175.968 174.700 -0.065 0.000 1.105 458 T CA 0.477 62.528 62.100 -0.082 0.000 1.104 458 T CB 0.248 69.052 68.868 -0.107 0.000 0.925 458 T HN 0.431 nan 8.240 nan 0.000 0.498 459 G N 1.618 110.394 108.800 -0.040 0.000 2.249 459 G HA2 -0.210 3.752 3.960 0.004 0.000 0.273 459 G HA3 -0.210 3.752 3.960 0.004 0.000 0.273 459 G C -0.084 174.799 174.900 -0.029 0.000 1.036 459 G CA 0.276 45.358 45.100 -0.031 0.000 0.824 459 G HN 0.637 nan 8.290 nan 0.000 0.504 460 L N 1.215 122.424 121.223 -0.023 0.000 2.297 460 L HA 0.272 4.615 4.340 0.004 0.000 0.277 460 L C 1.330 178.207 176.870 0.012 0.000 1.040 460 L CA -0.355 54.477 54.840 -0.012 0.000 0.867 460 L CB 1.063 43.109 42.059 -0.021 0.000 1.244 460 L HN 0.334 nan 8.230 nan 0.000 0.433 461 D N 0.227 120.634 120.400 0.012 0.000 2.269 461 D HA -0.167 4.476 4.640 0.004 0.000 0.208 461 D C 1.437 177.755 176.300 0.030 0.000 0.963 461 D CA 1.200 55.210 54.000 0.018 0.000 0.864 461 D CB 0.004 40.812 40.800 0.013 0.000 0.936 461 D HN 0.519 nan 8.370 nan 0.000 0.505 462 T N -1.584 112.993 114.554 0.038 0.000 3.194 462 T HA 0.101 4.453 4.350 0.004 0.000 0.251 462 T C 0.985 175.727 174.700 0.071 0.000 1.132 462 T CA -0.571 61.560 62.100 0.051 0.000 1.028 462 T CB -0.623 68.278 68.868 0.055 0.000 0.976 462 T HN 0.159 nan 8.240 nan 0.000 0.535 463 L N 1.790 123.056 121.223 0.071 0.000 2.410 463 L HA 0.379 4.721 4.340 0.004 0.000 0.273 463 L C -0.243 176.680 176.870 0.089 0.000 1.144 463 L CA -0.145 54.755 54.840 0.099 0.000 0.863 463 L CB 0.345 42.463 42.059 0.099 0.000 1.140 463 L HN 0.158 nan 8.230 nan 0.000 0.463 464 K N 3.700 124.170 120.400 0.116 0.000 2.444 464 K HA 0.689 5.011 4.320 0.004 0.000 0.252 464 K C -1.559 175.108 176.600 0.111 0.000 0.993 464 K CA -0.970 55.377 56.287 0.101 0.000 0.847 464 K CB 2.505 35.072 32.500 0.111 0.000 1.340 464 K HN 0.273 nan 8.250 nan 0.000 0.446 465 V N 0.987 120.934 119.914 0.056 0.000 2.487 465 V HA 0.663 4.786 4.120 0.004 0.000 0.298 465 V C 0.044 176.086 176.094 -0.087 0.000 1.028 465 V CA -0.594 61.705 62.300 -0.001 0.000 0.860 465 V CB 1.464 33.290 31.823 0.005 0.000 0.991 465 V HN 0.978 nan 8.190 nan 0.000 0.427 466 G N 2.472 111.001 108.800 -0.452 0.000 2.949 466 G HA2 0.795 4.757 3.960 0.004 0.000 0.285 466 G HA3 0.795 4.757 3.960 0.004 0.000 0.285 466 G C -1.989 172.496 174.900 -0.692 0.000 1.395 466 G CA -0.615 44.151 45.100 -0.555 0.000 0.901 466 G HN 0.515 nan 8.290 nan 0.000 0.519 467 F N 0.615 120.254 119.950 -0.519 0.000 2.576 467 F HA 0.711 5.240 4.527 0.004 0.000 0.313 467 F C -0.922 174.794 175.800 -0.139 0.000 1.078 467 F CA -1.105 56.591 58.000 -0.506 0.000 0.921 467 F CB 2.468 41.055 39.000 -0.688 0.000 1.232 467 F HN 0.473 nan 8.300 nan 0.000 0.459 468 N N 3.644 121.648 118.700 -1.159 0.000 2.503 468 N HA 0.327 5.069 4.740 0.004 0.000 0.287 468 N C -0.148 174.778 175.510 -0.973 0.000 1.096 468 N CA 0.231 52.890 53.050 -0.651 0.000 0.936 468 N CB 2.229 40.592 38.487 -0.208 0.000 1.570 468 N HN 0.867 nan 8.380 nan 0.000 0.504 469 A N 2.885 125.386 122.820 -0.531 0.000 1.940 469 A HA -0.090 4.233 4.320 0.004 0.000 0.219 469 A C 1.738 179.230 177.584 -0.154 0.000 1.176 469 A CA 1.817 53.705 52.037 -0.248 0.000 0.631 469 A CB -0.289 18.716 19.000 0.009 0.000 0.814 469 A HN 0.469 nan 8.150 nan 0.000 0.446 470 V N -0.821 119.053 119.914 -0.066 0.000 2.591 470 V HA -0.145 3.977 4.120 0.004 0.000 0.249 470 V C 1.724 177.794 176.094 -0.042 0.000 1.053 470 V CA 1.798 64.108 62.300 0.016 0.000 1.068 470 V CB -0.902 30.993 31.823 0.120 0.000 0.689 470 V HN 0.774 nan 8.190 nan 0.000 0.462 471 H N -1.347 117.609 119.070 -0.190 0.000 3.058 471 H HA 0.441 4.999 4.556 0.004 0.000 0.266 471 H C 1.351 176.606 175.328 -0.121 0.000 1.135 471 H CA 0.350 56.323 56.048 -0.125 0.000 1.174 471 H CB 1.141 30.842 29.762 -0.103 0.000 1.581 471 H HN 0.464 nan 8.280 nan 0.000 0.553 472 G N 1.333 110.024 108.800 -0.181 0.000 2.598 472 G HA2 -0.317 3.646 3.960 0.004 0.000 0.244 472 G HA3 -0.317 3.646 3.960 0.004 0.000 0.244 472 G C -0.634 174.153 174.900 -0.188 0.000 1.302 472 G CA -0.391 44.587 45.100 -0.203 0.000 0.903 472 G HN 0.302 nan 8.290 nan 0.000 0.575 473 Y N 0.588 120.996 120.300 0.181 0.000 2.357 473 Y HA 0.538 5.090 4.550 0.004 0.000 0.340 473 Y C 0.982 176.957 175.900 0.125 0.000 1.260 473 Y CA 1.345 59.524 58.100 0.131 0.000 1.425 473 Y CB 0.818 39.406 38.460 0.213 0.000 1.326 473 Y HN 0.861 nan 8.280 nan 0.000 0.580 474 Y N -1.772 118.672 120.300 0.239 0.000 2.689 474 Y HA 0.701 5.253 4.550 0.004 0.000 0.333 474 Y C -1.808 174.153 175.900 0.102 0.000 1.208 474 Y CA -2.281 55.887 58.100 0.113 0.000 1.055 474 Y CB 0.754 39.224 38.460 0.017 0.000 1.304 474 Y HN 0.321 nan 8.280 nan 0.000 0.455 475 I N 2.511 123.285 120.570 0.340 0.000 2.382 475 I HA 0.320 4.492 4.170 0.004 0.000 0.285 475 I C -0.470 175.878 176.117 0.384 0.000 1.007 475 I CA -0.708 60.749 61.300 0.262 0.000 1.142 475 I CB 1.645 39.660 38.000 0.026 0.000 1.289 475 I HN 0.624 nan 8.210 nan 0.000 0.453 476 Q N 6.199 126.236 119.800 0.395 0.000 2.293 476 Q HA 0.606 4.948 4.340 0.004 0.000 0.251 476 Q C -1.109 175.035 176.000 0.240 0.000 0.930 476 Q CA -0.136 55.823 55.803 0.259 0.000 0.893 476 Q CB 1.488 30.361 28.738 0.225 0.000 1.215 476 Q HN 0.588 nan 8.270 nan 0.000 0.425 477 I N 2.020 122.725 120.570 0.225 0.000 2.656 477 I HA 0.181 4.354 4.170 0.004 0.000 0.292 477 I C -0.041 176.160 176.117 0.139 0.000 1.144 477 I CA -0.905 60.512 61.300 0.196 0.000 1.038 477 I CB 2.195 40.350 38.000 0.258 0.000 1.244 477 I HN 0.729 nan 8.210 nan 0.000 0.420 478 S N 4.758 120.518 115.700 0.100 0.000 2.572 478 S HA 0.064 4.536 4.470 0.004 0.000 0.267 478 S C 1.141 175.795 174.600 0.090 0.000 1.361 478 S CA -0.054 58.191 58.200 0.075 0.000 1.009 478 S CB 1.068 64.306 63.200 0.063 0.000 0.888 478 S HN 0.847 nan 8.310 nan 0.000 0.553 479 R N 1.433 121.974 120.500 0.069 0.000 2.081 479 R HA -0.035 4.307 4.340 0.004 0.000 0.235 479 R C 2.291 178.660 176.300 0.115 0.000 1.131 479 R CA 1.604 57.751 56.100 0.079 0.000 0.960 479 R CB -1.235 29.091 30.300 0.044 0.000 0.856 479 R HN 0.869 nan 8.270 nan 0.000 0.436 480 G N -0.580 108.281 108.800 0.102 0.000 2.559 480 G HA2 -0.193 3.770 3.960 0.004 0.000 0.216 480 G HA3 -0.193 3.770 3.960 0.004 0.000 0.216 480 G C 1.039 176.062 174.900 0.206 0.000 1.126 480 G CA 0.209 45.390 45.100 0.134 0.000 0.778 480 G HN 0.414 nan 8.290 nan 0.000 0.543 481 Q N -0.002 119.880 119.800 0.137 0.000 2.281 481 Q HA 0.061 4.404 4.340 0.004 0.000 0.215 481 Q C 2.528 178.522 176.000 -0.009 0.000 0.867 481 Q CA 0.484 56.316 55.803 0.048 0.000 0.940 481 Q CB 0.564 29.317 28.738 0.025 0.000 1.111 481 Q HN 0.567 nan 8.270 nan 0.000 0.513 482 S N 0.573 116.342 115.700 0.115 0.000 2.436 482 S HA -0.153 4.319 4.470 0.004 0.000 0.228 482 S C 1.796 176.447 174.600 0.086 0.000 1.014 482 S CA 0.881 59.166 58.200 0.141 0.000 0.950 482 S CB -0.507 62.841 63.200 0.247 0.000 0.784 482 S HN 0.553 nan 8.310 nan 0.000 0.504 483 H N 0.682 119.783 119.070 0.051 0.000 2.568 483 H HA 0.198 4.756 4.556 0.004 0.000 0.281 483 H C 1.375 176.697 175.328 -0.010 0.000 1.028 483 H CA 0.672 56.736 56.048 0.027 0.000 1.199 483 H CB -0.356 29.419 29.762 0.021 0.000 1.352 483 H HN 0.451 nan 8.280 nan 0.000 0.605 484 L N 0.373 121.317 121.223 -0.466 0.000 2.858 484 L HA 0.429 4.771 4.340 0.004 0.000 0.251 484 L C 1.052 177.747 176.870 -0.291 0.000 1.149 484 L CA 0.029 54.615 54.840 -0.424 0.000 0.955 484 L CB 0.315 42.077 42.059 -0.495 0.000 1.289 484 L HN 0.266 nan 8.230 nan 0.000 0.542 485 A N 0.348 122.996 122.820 -0.287 0.000 2.366 485 A HA 0.489 4.811 4.320 0.004 0.000 0.249 485 A C -2.170 175.125 177.584 -0.482 0.000 1.084 485 A CA -0.968 50.808 52.037 -0.435 0.000 0.794 485 A CB -0.453 18.229 19.000 -0.530 0.000 1.034 485 A HN -0.010 nan 8.150 nan 0.000 0.491 486 P HA 0.009 nan 4.420 nan 0.000 0.269 486 P C 0.795 177.910 177.300 -0.307 0.000 1.211 486 P CA -0.370 62.421 63.100 -0.515 0.000 0.781 486 P CB 0.346 31.634 31.700 -0.686 0.000 0.877 487 I N 1.457 121.932 120.570 -0.159 0.000 2.500 487 I HA -0.120 4.052 4.170 0.004 0.000 0.252 487 I C 1.753 177.872 176.117 0.002 0.000 1.142 487 I CA 1.263 62.528 61.300 -0.059 0.000 1.451 487 I CB -1.199 36.777 38.000 -0.040 0.000 1.093 487 I HN 0.462 nan 8.210 nan 0.000 0.430 488 N N -0.442 118.260 118.700 0.004 0.000 2.184 488 N HA -0.226 4.516 4.740 0.004 0.000 0.190 488 N C -0.064 175.574 175.510 0.214 0.000 1.011 488 N CA 0.719 53.823 53.050 0.090 0.000 0.867 488 N CB 0.003 38.545 38.487 0.091 0.000 0.993 488 N HN 0.080 nan 8.380 nan 0.000 0.433 489 Y N 0.875 121.147 120.300 -0.046 0.000 2.377 489 Y HA 0.192 4.745 4.550 0.004 0.000 0.330 489 Y C 0.163 176.145 175.900 0.136 0.000 1.108 489 Y CA -0.197 57.887 58.100 -0.026 0.000 1.308 489 Y CB 0.338 38.586 38.460 -0.354 0.000 1.216 489 Y HN -0.040 nan 8.280 nan 0.000 0.518 490 M N 3.870 123.684 119.600 0.357 0.000 2.238 490 M HA 0.401 4.884 4.480 0.004 0.000 0.350 490 M C 0.136 176.646 176.300 0.351 0.000 1.138 490 M CA -0.576 54.905 55.300 0.301 0.000 1.040 490 M CB 1.381 34.084 32.600 0.172 0.000 1.639 490 M HN 0.446 nan 8.290 nan 0.000 0.451 491 R N 1.700 122.348 120.500 0.247 0.000 2.484 491 R HA 0.014 4.357 4.340 0.004 0.000 0.293 491 R C 0.857 177.142 176.300 -0.026 0.000 1.023 491 R CA 0.662 56.755 56.100 -0.011 0.000 1.037 491 R CB 0.477 30.781 30.300 0.007 0.000 0.951 491 R HN 0.675 nan 8.270 nan 0.000 0.418 492 R N 1.984 122.420 120.500 -0.106 0.000 2.144 492 R HA 0.107 4.449 4.340 0.004 0.000 0.195 492 R C -0.213 176.081 176.300 -0.010 0.000 1.077 492 R CA 0.232 56.322 56.100 -0.017 0.000 1.120 492 R CB 0.604 30.920 30.300 0.027 0.000 1.060 492 R HN 0.591 nan 8.270 nan 0.000 0.520 493 Q N 0.819 120.536 119.800 -0.139 0.000 2.268 493 Q HA 0.281 4.623 4.340 0.004 0.000 0.266 493 Q C -1.686 174.159 176.000 -0.258 0.000 1.006 493 Q CA -0.592 55.111 55.803 -0.168 0.000 0.824 493 Q CB 2.464 30.982 28.738 -0.366 0.000 1.306 493 Q HN 0.163 nan 8.270 nan 0.000 0.424 494 T N 3.518 117.966 114.554 -0.177 0.000 2.902 494 T HA 0.674 5.026 4.350 0.004 0.000 0.283 494 T C -0.578 174.032 174.700 -0.151 0.000 1.009 494 T CA -0.321 61.681 62.100 -0.163 0.000 1.051 494 T CB 0.768 69.576 68.868 -0.101 0.000 0.999 494 T HN 0.446 nan 8.240 nan 0.000 0.474 495 L N 1.204 122.346 121.223 -0.135 0.000 2.341 495 L HA 0.524 4.866 4.340 0.004 0.000 0.254 495 L C 1.563 178.391 176.870 -0.070 0.000 1.040 495 L CA -0.881 53.892 54.840 -0.111 0.000 0.837 495 L CB 1.260 43.236 42.059 -0.138 0.000 1.425 495 L HN 0.481 nan 8.230 nan 0.000 0.414 496 K N 0.162 120.530 120.400 -0.054 0.000 2.074 496 K HA -0.106 4.216 4.320 0.004 0.000 0.209 496 K C 0.356 176.941 176.600 -0.025 0.000 1.048 496 K CA 1.824 58.091 56.287 -0.034 0.000 0.926 496 K CB 0.090 32.573 32.500 -0.028 0.000 0.713 496 K HN 0.536 nan 8.250 nan 0.000 0.444 497 N N -0.953 117.731 118.700 -0.027 0.000 2.305 497 N HA 0.186 4.928 4.740 0.004 0.000 0.248 497 N C -1.190 174.315 175.510 -0.008 0.000 1.290 497 N CA 0.112 53.156 53.050 -0.010 0.000 0.873 497 N CB 1.752 40.236 38.487 -0.004 0.000 1.261 497 N HN 0.121 nan 8.380 nan 0.000 0.504 498 A N 0.276 123.077 122.820 -0.031 0.000 2.583 498 A HA 0.731 5.053 4.320 0.004 0.000 0.289 498 A C -1.530 176.012 177.584 -0.069 0.000 1.151 498 A CA -0.388 51.630 52.037 -0.031 0.000 0.695 498 A CB 2.163 21.132 19.000 -0.052 0.000 1.290 498 A HN 0.028 nan 8.150 nan 0.000 0.419 499 E N 0.040 120.199 120.200 -0.068 0.000 2.287 499 E HA 0.536 4.888 4.350 0.004 0.000 0.274 499 E C -1.134 175.291 176.600 -0.293 0.000 0.896 499 E CA -0.178 56.106 56.400 -0.194 0.000 0.788 499 E CB 1.209 30.873 29.700 -0.061 0.000 1.244 499 E HN 0.556 nan 8.360 nan 0.000 0.408 500 R N 2.861 123.080 120.500 -0.467 0.000 2.532 500 R HA 0.587 4.929 4.340 0.004 0.000 0.295 500 R C -0.808 175.210 176.300 -0.471 0.000 0.968 500 R CA -0.584 55.305 56.100 -0.352 0.000 0.916 500 R CB 1.187 31.175 30.300 -0.521 0.000 1.124 500 R HN 0.459 nan 8.270 nan 0.000 0.463 501 Y N 0.898 121.227 120.300 0.048 0.000 2.633 501 Y HA 0.593 5.145 4.550 0.004 0.000 0.339 501 Y C -0.566 175.318 175.900 -0.026 0.000 1.045 501 Y CA -1.201 56.898 58.100 -0.001 0.000 1.098 501 Y CB 1.634 40.058 38.460 -0.061 0.000 1.296 501 Y HN 0.365 nan 8.280 nan 0.000 0.494 502 I N 2.552 123.211 120.570 0.148 0.000 2.534 502 I HA 0.520 4.693 4.170 0.004 0.000 0.288 502 I C -1.168 174.975 176.117 0.043 0.000 1.077 502 I CA -0.821 60.528 61.300 0.082 0.000 1.051 502 I CB 1.095 39.166 38.000 0.118 0.000 1.234 502 I HN 0.513 nan 8.210 nan 0.000 0.425 503 I N 5.153 125.720 120.570 -0.004 0.000 2.863 503 I HA 0.692 4.864 4.170 0.004 0.000 0.311 503 I C -2.099 174.056 176.117 0.062 0.000 1.026 503 I CA -2.127 59.194 61.300 0.035 0.000 1.077 503 I CB 1.125 39.136 38.000 0.017 0.000 1.262 503 I HN 0.304 nan 8.210 nan 0.000 0.461 504 P HA -0.127 nan 4.420 nan 0.000 0.220 504 P C 1.199 178.542 177.300 0.071 0.000 1.148 504 P CA 1.097 64.237 63.100 0.067 0.000 0.803 504 P CB 0.143 31.879 31.700 0.061 0.000 0.782 505 E N -0.493 119.754 120.200 0.079 0.000 2.150 505 E HA -0.118 4.235 4.350 0.004 0.000 0.193 505 E C 1.783 178.458 176.600 0.125 0.000 0.985 505 E CA 0.568 57.028 56.400 0.100 0.000 0.814 505 E CB -0.315 29.453 29.700 0.113 0.000 0.752 505 E HN 0.195 nan 8.360 nan 0.000 0.466 506 L N 0.785 122.079 121.223 0.118 0.000 2.127 506 L HA -0.097 4.245 4.340 0.004 0.000 0.203 506 L C 2.578 179.527 176.870 0.131 0.000 1.080 506 L CA 1.292 56.217 54.840 0.140 0.000 0.768 506 L CB -0.196 41.940 42.059 0.128 0.000 0.924 506 L HN 0.092 nan 8.230 nan 0.000 0.444 507 K N -0.260 120.207 120.400 0.112 0.000 2.217 507 K HA -0.221 4.101 4.320 0.004 0.000 0.202 507 K C 1.779 178.417 176.600 0.064 0.000 1.051 507 K CA 1.459 57.808 56.287 0.104 0.000 0.952 507 K CB -0.155 32.402 32.500 0.094 0.000 0.736 507 K HN 0.272 nan 8.250 nan 0.000 0.453 508 E N 0.060 120.293 120.200 0.054 0.000 2.047 508 E HA -0.232 4.120 4.350 0.004 0.000 0.191 508 E C 1.693 178.286 176.600 -0.011 0.000 0.987 508 E CA 0.997 57.412 56.400 0.025 0.000 0.799 508 E CB -0.208 29.511 29.700 0.031 0.000 0.752 508 E HN 0.534 nan 8.360 nan 0.000 0.449 509 Y N 1.273 121.465 120.300 -0.180 0.000 2.574 509 Y HA -0.083 4.469 4.550 0.004 0.000 0.294 509 Y C 1.897 177.621 175.900 -0.294 0.000 1.142 509 Y CA 1.552 59.446 58.100 -0.344 0.000 1.314 509 Y CB 0.087 38.167 38.460 -0.634 0.000 0.991 509 Y HN 0.103 nan 8.280 nan 0.000 0.555 510 E N -0.422 119.662 120.200 -0.193 0.000 2.122 510 E HA -0.142 4.210 4.350 0.004 0.000 0.190 510 E C 1.210 177.771 176.600 -0.066 0.000 0.977 510 E CA 1.083 57.433 56.400 -0.083 0.000 0.820 510 E CB 0.015 29.855 29.700 0.234 0.000 0.770 510 E HN 0.424 nan 8.360 nan 0.000 0.462 511 D N 1.049 121.420 120.400 -0.048 0.000 2.178 511 D HA -0.160 4.482 4.640 0.004 0.000 0.202 511 D C 1.741 177.998 176.300 -0.071 0.000 0.974 511 D CA 1.186 55.166 54.000 -0.033 0.000 0.841 511 D CB 0.021 40.815 40.800 -0.010 0.000 0.953 511 D HN 0.345 nan 8.370 nan 0.000 0.478 512 K N 0.120 120.442 120.400 -0.130 0.000 2.284 512 K HA 0.100 4.422 4.320 0.004 0.000 0.198 512 K C 1.972 178.466 176.600 -0.178 0.000 1.048 512 K CA 0.241 56.458 56.287 -0.116 0.000 0.987 512 K CB -0.062 32.387 32.500 -0.086 0.000 0.800 512 K HN 0.006 nan 8.250 nan 0.000 0.486 513 V N 2.830 122.540 119.914 -0.340 0.000 2.255 513 V HA -0.194 3.928 4.120 0.004 0.000 0.243 513 V C 2.520 178.504 176.094 -0.184 0.000 1.038 513 V CA 1.373 63.471 62.300 -0.337 0.000 1.008 513 V CB -0.514 30.980 31.823 -0.549 0.000 0.645 513 V HN 0.185 nan 8.190 nan 0.000 0.449 514 L N 0.577 121.721 121.223 -0.132 0.000 1.990 514 L HA -0.241 4.101 4.340 0.004 0.000 0.213 514 L C 2.773 179.577 176.870 -0.110 0.000 1.072 514 L CA 2.456 57.245 54.840 -0.086 0.000 0.755 514 L CB -1.427 40.623 42.059 -0.015 0.000 0.889 514 L HN 0.599 nan 8.230 nan 0.000 0.432 515 T N -3.489 111.000 114.554 -0.108 0.000 2.857 515 T HA -0.143 4.209 4.350 0.004 0.000 0.266 515 T C 2.042 176.597 174.700 -0.242 0.000 1.048 515 T CA 1.101 63.117 62.100 -0.140 0.000 1.139 515 T CB -0.526 68.287 68.868 -0.092 0.000 0.874 515 T HN 0.430 nan 8.240 nan 0.000 0.455 516 S N 1.480 117.072 115.700 -0.181 0.000 2.419 516 S HA -0.083 4.390 4.470 0.004 0.000 0.233 516 S C 2.094 176.523 174.600 -0.285 0.000 1.016 516 S CA 1.134 59.196 58.200 -0.230 0.000 0.974 516 S CB -0.481 62.821 63.200 0.171 0.000 0.786 516 S HN 0.585 nan 8.310 nan 0.000 0.492 517 K N 0.708 120.991 120.400 -0.194 0.000 2.167 517 K HA 0.098 4.420 4.320 0.004 0.000 0.203 517 K C 2.223 178.704 176.600 -0.199 0.000 1.052 517 K CA 0.930 57.118 56.287 -0.164 0.000 0.956 517 K CB -0.701 31.721 32.500 -0.129 0.000 0.735 517 K HN 0.493 nan 8.250 nan 0.000 0.451 518 G N 1.162 109.828 108.800 -0.222 0.000 2.403 518 G HA2 -0.173 3.789 3.960 0.004 0.000 0.216 518 G HA3 -0.173 3.789 3.960 0.004 0.000 0.216 518 G C 1.341 176.064 174.900 -0.294 0.000 1.154 518 G CA 0.286 45.260 45.100 -0.210 0.000 0.784 518 G HN 0.104 nan 8.290 nan 0.000 0.538 519 K N 1.032 121.142 120.400 -0.485 0.000 2.057 519 K HA 0.021 4.343 4.320 0.004 0.000 0.207 519 K C 2.804 179.013 176.600 -0.652 0.000 1.049 519 K CA 1.190 57.046 56.287 -0.719 0.000 0.931 519 K CB -0.602 31.034 32.500 -1.441 0.000 0.714 519 K HN 0.265 nan 8.250 nan 0.000 0.440 520 A N 0.779 123.263 122.820 -0.560 0.000 2.067 520 A HA -0.092 4.230 4.320 0.004 0.000 0.219 520 A C 2.138 179.644 177.584 -0.130 0.000 1.158 520 A CA 0.891 52.782 52.037 -0.244 0.000 0.661 520 A CB -0.261 18.689 19.000 -0.083 0.000 0.801 520 A HN 0.166 nan 8.150 nan 0.000 0.452 521 L N -0.875 120.257 121.223 -0.153 0.000 2.084 521 L HA 0.173 4.515 4.340 0.004 0.000 0.202 521 L C 2.776 179.595 176.870 -0.084 0.000 1.074 521 L CA 1.646 56.426 54.840 -0.099 0.000 0.757 521 L CB -0.703 41.296 42.059 -0.101 0.000 0.918 521 L HN 0.301 nan 8.230 nan 0.000 0.444 522 A N -0.426 122.329 122.820 -0.108 0.000 1.892 522 A HA -0.270 4.052 4.320 0.004 0.000 0.218 522 A C 2.233 179.790 177.584 -0.046 0.000 1.188 522 A CA 2.288 54.277 52.037 -0.079 0.000 0.631 522 A CB -1.158 17.781 19.000 -0.101 0.000 0.822 522 A HN 0.433 nan 8.150 nan 0.000 0.447 523 L N -0.086 121.104 121.223 -0.055 0.000 1.989 523 L HA -0.187 4.155 4.340 0.004 0.000 0.211 523 L C 2.276 179.168 176.870 0.037 0.000 1.071 523 L CA 2.741 57.586 54.840 0.007 0.000 0.749 523 L CB -0.944 41.141 42.059 0.044 0.000 0.890 523 L HN 0.605 nan 8.230 nan 0.000 0.431 524 E N -0.675 119.542 120.200 0.029 0.000 2.147 524 E HA -0.305 4.048 4.350 0.004 0.000 0.199 524 E C 2.081 178.714 176.600 0.055 0.000 1.005 524 E CA 1.860 58.289 56.400 0.048 0.000 0.810 524 E CB -0.009 29.698 29.700 0.011 0.000 0.736 524 E HN 0.523 nan 8.360 nan 0.000 0.460 525 K N -0.234 120.178 120.400 0.021 0.000 2.167 525 K HA -0.111 4.211 4.320 0.004 0.000 0.203 525 K C 2.257 178.893 176.600 0.060 0.000 1.052 525 K CA 0.775 57.082 56.287 0.034 0.000 0.956 525 K CB -0.026 32.472 32.500 -0.003 0.000 0.735 525 K HN 0.132 nan 8.250 nan 0.000 0.451 526 Q N 0.865 120.691 119.800 0.043 0.000 2.046 526 Q HA -0.075 4.267 4.340 0.004 0.000 0.200 526 Q C 2.023 178.053 176.000 0.051 0.000 0.975 526 Q CA 1.155 56.983 55.803 0.041 0.000 0.836 526 Q CB 0.059 28.817 28.738 0.033 0.000 0.896 526 Q HN 0.263 nan 8.270 nan 0.000 0.428 527 L N -0.853 120.419 121.223 0.081 0.000 2.141 527 L HA -0.173 4.169 4.340 0.004 0.000 0.209 527 L C 2.154 179.069 176.870 0.075 0.000 1.094 527 L CA 0.963 55.877 54.840 0.123 0.000 0.763 527 L CB -0.326 41.856 42.059 0.204 0.000 0.908 527 L HN 0.328 nan 8.230 nan 0.000 0.437 528 Y N 0.418 120.664 120.300 -0.089 0.000 2.365 528 Y HA -0.082 4.470 4.550 0.004 0.000 0.293 528 Y C 2.449 178.095 175.900 -0.424 0.000 1.119 528 Y CA 1.030 58.998 58.100 -0.221 0.000 1.203 528 Y CB 0.243 38.586 38.460 -0.195 0.000 1.026 528 Y HN 0.070 nan 8.280 nan 0.000 0.549 529 E N 0.483 120.563 120.200 -0.199 0.000 2.358 529 E HA -0.181 4.171 4.350 0.004 0.000 0.195 529 E C 1.683 178.165 176.600 -0.198 0.000 1.010 529 E CA 0.814 57.038 56.400 -0.292 0.000 0.856 529 E CB 0.011 29.716 29.700 0.009 0.000 0.795 529 E HN 0.702 nan 8.360 nan 0.000 0.504 530 E N 0.445 120.567 120.200 -0.130 0.000 2.208 530 E HA -0.127 4.225 4.350 0.004 0.000 0.193 530 E C 1.677 178.227 176.600 -0.084 0.000 0.988 530 E CA 0.149 56.519 56.400 -0.049 0.000 0.828 530 E CB 0.205 29.916 29.700 0.019 0.000 0.763 530 E HN 0.029 nan 8.360 nan 0.000 0.478 531 L N 0.468 121.548 121.223 -0.239 0.000 2.131 531 L HA -0.142 4.200 4.340 0.004 0.000 0.210 531 L C 1.898 178.709 176.870 -0.098 0.000 1.092 531 L CA 1.414 56.113 54.840 -0.236 0.000 0.759 531 L CB -0.999 40.794 42.059 -0.443 0.000 0.903 531 L HN 0.242 nan 8.230 nan 0.000 0.435 532 F N 0.013 119.864 119.950 -0.165 0.000 2.146 532 F HA -0.139 4.391 4.527 0.004 0.000 0.298 532 F C 2.460 178.209 175.800 -0.085 0.000 1.096 532 F CA 0.626 58.550 58.000 -0.127 0.000 1.275 532 F CB -1.071 37.859 39.000 -0.117 0.000 1.008 532 F HN 0.208 nan 8.300 nan 0.000 0.480 533 D N 0.218 120.687 120.400 0.116 0.000 2.144 533 D HA -0.139 4.503 4.640 0.004 0.000 0.199 533 D C 2.399 178.701 176.300 0.003 0.000 0.984 533 D CA 1.107 55.136 54.000 0.047 0.000 0.834 533 D CB -0.222 40.598 40.800 0.033 0.000 0.955 533 D HN 0.280 nan 8.370 nan 0.000 0.465 534 L N 0.105 121.333 121.223 0.008 0.000 2.270 534 L HA 0.025 4.367 4.340 0.004 0.000 0.210 534 L C 2.450 179.296 176.870 -0.041 0.000 1.104 534 L CA 0.198 55.030 54.840 -0.013 0.000 0.804 534 L CB 0.001 42.079 42.059 0.031 0.000 0.937 534 L HN -0.022 nan 8.230 nan 0.000 0.450 535 L N -1.069 120.158 121.223 0.007 0.000 2.209 535 L HA -0.112 4.231 4.340 0.004 0.000 0.207 535 L C 2.317 179.163 176.870 -0.039 0.000 1.094 535 L CA 0.236 55.091 54.840 0.025 0.000 0.790 535 L CB -0.106 42.004 42.059 0.086 0.000 0.932 535 L HN 0.215 nan 8.230 nan 0.000 0.447 536 L N 0.532 121.727 121.223 -0.045 0.000 2.131 536 L HA -0.086 4.256 4.340 0.004 0.000 0.210 536 L C -0.242 176.575 176.870 -0.088 0.000 1.092 536 L CA 1.925 56.731 54.840 -0.057 0.000 0.759 536 L CB -1.915 40.119 42.059 -0.042 0.000 0.903 536 L HN 0.127 nan 8.230 nan 0.000 0.435 537 P HA -0.125 nan 4.420 nan 0.000 0.222 537 P C 0.632 177.860 177.300 -0.119 0.000 1.147 537 P CA 1.391 64.379 63.100 -0.187 0.000 0.790 537 P CB -0.107 31.415 31.700 -0.297 0.000 0.780 538 H N -1.913 117.177 119.070 0.034 0.000 2.538 538 H HA 0.137 4.695 4.556 0.003 0.000 0.286 538 H C 1.572 176.914 175.328 0.023 0.000 1.035 538 H CA -0.599 55.477 56.048 0.046 0.000 1.169 538 H CB -0.147 29.642 29.762 0.045 0.000 1.417 538 H HN -0.006 nan 8.280 nan 0.000 0.567 539 L N 1.364 122.639 121.223 0.087 0.000 2.046 539 L HA -0.163 4.180 4.340 0.004 0.000 0.208 539 L C 2.289 179.211 176.870 0.086 0.000 1.077 539 L CA 1.752 56.626 54.840 0.056 0.000 0.747 539 L CB -0.375 41.703 42.059 0.031 0.000 0.896 539 L HN 0.301 nan 8.230 nan 0.000 0.432 540 E N -0.408 119.856 120.200 0.107 0.000 2.048 540 E HA -0.302 4.051 4.350 0.004 0.000 0.202 540 E C 2.065 178.744 176.600 0.132 0.000 1.021 540 E CA 1.849 58.317 56.400 0.114 0.000 0.825 540 E CB -0.341 29.426 29.700 0.111 0.000 0.756 540 E HN 0.581 nan 8.360 nan 0.000 0.454 541 A N 0.252 123.175 122.820 0.173 0.000 2.067 541 A HA -0.089 4.233 4.320 0.004 0.000 0.219 541 A C 2.166 179.919 177.584 0.282 0.000 1.158 541 A CA 0.952 53.136 52.037 0.244 0.000 0.661 541 A CB -0.458 18.741 19.000 0.332 0.000 0.801 541 A HN 0.333 nan 8.150 nan 0.000 0.452 542 L N -1.141 120.154 121.223 0.120 0.000 2.044 542 L HA -0.210 4.132 4.340 0.004 0.000 0.205 542 L C 2.856 179.774 176.870 0.079 0.000 1.075 542 L CA 1.386 56.217 54.840 -0.015 0.000 0.747 542 L CB -0.589 41.399 42.059 -0.118 0.000 0.903 542 L HN 0.447 nan 8.230 nan 0.000 0.435 543 Q N -0.344 119.507 119.800 0.085 0.000 2.135 543 Q HA -0.250 4.092 4.340 0.004 0.000 0.204 543 Q C 2.219 178.283 176.000 0.107 0.000 0.981 543 Q CA 1.422 57.279 55.803 0.091 0.000 0.856 543 Q CB -0.114 28.679 28.738 0.091 0.000 0.902 543 Q HN 0.570 nan 8.270 nan 0.000 0.425 544 Q N -0.230 119.646 119.800 0.126 0.000 2.167 544 Q HA -0.103 4.239 4.340 0.004 0.000 0.202 544 Q C 2.138 178.225 176.000 0.145 0.000 0.970 544 Q CA 1.228 57.106 55.803 0.125 0.000 0.855 544 Q CB -0.227 28.583 28.738 0.120 0.000 0.911 544 Q HN 0.220 nan 8.270 nan 0.000 0.438 545 S N 0.836 116.655 115.700 0.199 0.000 2.368 545 S HA -0.082 4.391 4.470 0.004 0.000 0.224 545 S C 2.084 176.782 174.600 0.164 0.000 1.029 545 S CA 1.015 59.354 58.200 0.231 0.000 0.988 545 S CB -0.088 63.362 63.200 0.416 0.000 0.838 545 S HN 0.433 nan 8.310 nan 0.000 0.462 546 A N 0.953 123.853 122.820 0.133 0.000 1.902 546 A HA -0.060 4.263 4.320 0.004 0.000 0.217 546 A C 2.480 180.114 177.584 0.083 0.000 1.181 546 A CA 2.253 54.347 52.037 0.094 0.000 0.623 546 A CB -1.313 17.730 19.000 0.072 0.000 0.818 546 A HN 0.724 nan 8.150 nan 0.000 0.443 547 S N -0.124 115.631 115.700 0.091 0.000 2.387 547 S HA 0.071 4.543 4.470 0.004 0.000 0.226 547 S C 2.179 176.835 174.600 0.095 0.000 1.026 547 S CA 1.382 59.636 58.200 0.090 0.000 0.972 547 S CB -0.576 62.683 63.200 0.098 0.000 0.814 547 S HN 0.921 nan 8.310 nan 0.000 0.477 548 A N 1.804 124.683 122.820 0.097 0.000 1.892 548 A HA -0.016 4.306 4.320 0.004 0.000 0.218 548 A C 2.317 179.947 177.584 0.078 0.000 1.188 548 A CA 1.822 53.913 52.037 0.090 0.000 0.631 548 A CB -0.987 18.066 19.000 0.088 0.000 0.822 548 A HN 0.603 nan 8.150 nan 0.000 0.447 549 L N -1.241 120.027 121.223 0.076 0.000 2.156 549 L HA -0.090 4.252 4.340 0.004 0.000 0.208 549 L C 3.029 179.920 176.870 0.035 0.000 1.095 549 L CA 0.815 55.690 54.840 0.059 0.000 0.770 549 L CB -0.389 41.711 42.059 0.069 0.000 0.914 549 L HN 0.436 nan 8.230 nan 0.000 0.439 550 A N -0.320 122.519 122.820 0.031 0.000 1.898 550 A HA -0.226 4.096 4.320 0.004 0.000 0.216 550 A C 2.224 179.789 177.584 -0.031 0.000 1.181 550 A CA 1.569 53.602 52.037 -0.006 0.000 0.620 550 A CB -0.412 18.587 19.000 -0.003 0.000 0.819 550 A HN 0.397 nan 8.150 nan 0.000 0.442 551 E N -0.388 119.833 120.200 0.034 0.000 2.077 551 E HA -0.172 4.180 4.350 0.004 0.000 0.193 551 E C 1.921 178.556 176.600 0.057 0.000 0.989 551 E CA 1.100 57.554 56.400 0.091 0.000 0.800 551 E CB -0.189 29.628 29.700 0.195 0.000 0.746 551 E HN 0.597 nan 8.360 nan 0.000 0.452 552 L N 0.657 121.907 121.223 0.045 0.000 2.017 552 L HA -0.211 4.131 4.340 0.004 0.000 0.208 552 L C 2.332 179.205 176.870 0.004 0.000 1.073 552 L CA 1.603 56.462 54.840 0.031 0.000 0.745 552 L CB -0.272 41.805 42.059 0.029 0.000 0.894 552 L HN 0.192 nan 8.230 nan 0.000 0.432 553 D N -0.731 119.662 120.400 -0.012 0.000 2.158 553 D HA -0.177 4.465 4.640 0.004 0.000 0.197 553 D C 2.060 178.319 176.300 -0.068 0.000 0.995 553 D CA 1.184 55.164 54.000 -0.032 0.000 0.846 553 D CB 0.119 40.896 40.800 -0.038 0.000 0.941 553 D HN 0.080 nan 8.370 nan 0.000 0.456 554 V N 0.072 119.913 119.914 -0.121 0.000 2.323 554 V HA -0.153 3.969 4.120 0.004 0.000 0.244 554 V C 2.606 178.646 176.094 -0.089 0.000 1.041 554 V CA 1.130 63.304 62.300 -0.211 0.000 1.025 554 V CB -0.340 31.156 31.823 -0.544 0.000 0.656 554 V HN 0.258 nan 8.190 nan 0.000 0.451 555 L N -0.637 120.583 121.223 -0.005 0.000 2.072 555 L HA -0.086 4.256 4.340 0.004 0.000 0.205 555 L C 2.477 179.357 176.870 0.017 0.000 1.079 555 L CA 0.832 55.708 54.840 0.060 0.000 0.752 555 L CB -0.690 41.433 42.059 0.106 0.000 0.906 555 L HN 0.154 nan 8.230 nan 0.000 0.436 556 V N 0.782 120.701 119.914 0.007 0.000 2.380 556 V HA -0.339 3.783 4.120 0.004 0.000 0.251 556 V C 2.284 178.378 176.094 -0.002 0.000 1.063 556 V CA 2.356 64.660 62.300 0.007 0.000 1.055 556 V CB -0.835 30.996 31.823 0.014 0.000 0.657 556 V HN 0.580 nan 8.190 nan 0.000 0.455 557 N N 0.087 118.779 118.700 -0.014 0.000 2.142 557 N HA -0.109 4.633 4.740 0.004 0.000 0.186 557 N C 1.645 177.147 175.510 -0.013 0.000 1.023 557 N CA 1.458 54.497 53.050 -0.018 0.000 0.852 557 N CB -0.240 38.225 38.487 -0.037 0.000 0.998 557 N HN 0.453 nan 8.380 nan 0.000 0.424 558 L N -0.379 120.842 121.223 -0.003 0.000 2.291 558 L HA 0.113 4.455 4.340 0.004 0.000 0.214 558 L C 2.318 179.167 176.870 -0.036 0.000 1.120 558 L CA 0.688 55.540 54.840 0.019 0.000 0.799 558 L CB -0.423 41.680 42.059 0.074 0.000 0.925 558 L HN 0.276 nan 8.230 nan 0.000 0.446 559 A N -0.275 122.510 122.820 -0.058 0.000 1.897 559 A HA -0.193 4.129 4.320 0.004 0.000 0.215 559 A C 2.332 179.889 177.584 -0.044 0.000 1.181 559 A CA 1.377 53.352 52.037 -0.102 0.000 0.620 559 A CB -0.326 18.636 19.000 -0.063 0.000 0.821 559 A HN 0.337 nan 8.150 nan 0.000 0.443 560 E N 0.091 120.287 120.200 -0.007 0.000 2.106 560 E HA -0.164 4.189 4.350 0.004 0.000 0.192 560 E C 2.099 178.691 176.600 -0.012 0.000 0.984 560 E CA 0.716 57.135 56.400 0.033 0.000 0.806 560 E CB -0.207 29.506 29.700 0.022 0.000 0.750 560 E HN 0.414 nan 8.360 nan 0.000 0.458 561 R N 0.187 120.647 120.500 -0.065 0.000 2.073 561 R HA 0.021 4.363 4.340 0.004 0.000 0.229 561 R C 2.343 178.440 176.300 -0.339 0.000 1.120 561 R CA 0.990 56.992 56.100 -0.163 0.000 0.967 561 R CB -0.782 29.467 30.300 -0.084 0.000 0.862 561 R HN 0.184 nan 8.270 nan 0.000 0.436 562 A N 0.836 123.544 122.820 -0.187 0.000 1.892 562 A HA -0.251 4.071 4.320 0.004 0.000 0.218 562 A C 2.084 179.623 177.584 -0.074 0.000 1.188 562 A CA 1.582 53.548 52.037 -0.118 0.000 0.631 562 A CB -0.866 18.115 19.000 -0.032 0.000 0.822 562 A HN 0.396 nan 8.150 nan 0.000 0.447 563 Y N 1.256 121.471 120.300 -0.142 0.000 2.089 563 Y HA -0.169 4.383 4.550 0.003 0.000 0.282 563 Y C 2.691 178.522 175.900 -0.115 0.000 1.139 563 Y CA 2.235 60.282 58.100 -0.089 0.000 1.123 563 Y CB -1.084 37.336 38.460 -0.068 0.000 0.980 563 Y HN 0.309 nan 8.280 nan 0.000 0.493 564 T N 1.114 115.466 114.554 -0.338 0.000 2.746 564 T HA -0.141 4.211 4.350 0.004 0.000 0.267 564 T C 1.494 175.986 174.700 -0.348 0.000 1.039 564 T CA 1.977 63.820 62.100 -0.428 0.000 1.142 564 T CB -0.459 68.252 68.868 -0.262 0.000 0.866 564 T HN 0.293 nan 8.240 nan 0.000 0.444 565 L N 1.070 122.064 121.223 -0.382 0.000 2.741 565 L HA 0.373 4.715 4.340 0.004 0.000 0.237 565 L C 0.605 177.321 176.870 -0.257 0.000 1.178 565 L CA -0.234 54.395 54.840 -0.352 0.000 0.973 565 L CB -0.641 41.124 42.059 -0.491 0.000 1.255 565 L HN 0.270 nan 8.230 nan 0.000 0.498 566 N N 1.244 119.837 118.700 -0.180 0.000 2.641 566 N HA -0.224 4.518 4.740 0.004 0.000 0.267 566 N C -1.262 174.376 175.510 0.213 0.000 1.087 566 N CA 0.215 53.274 53.050 0.015 0.000 0.731 566 N CB -0.377 38.127 38.487 0.029 0.000 0.886 566 N HN 0.175 nan 8.380 nan 0.000 0.547 567 Y N 0.215 120.569 120.300 0.091 0.000 2.420 567 Y HA 0.450 5.003 4.550 0.004 0.000 0.334 567 Y C 1.244 177.248 175.900 0.172 0.000 1.094 567 Y CA -0.877 57.290 58.100 0.112 0.000 1.126 567 Y CB 1.486 40.035 38.460 0.149 0.000 1.217 567 Y HN 0.226 nan 8.280 nan 0.000 0.462 568 T N -1.832 112.830 114.554 0.181 0.000 2.949 568 T HA 0.417 4.769 4.350 0.004 0.000 0.287 568 T C -0.340 174.121 174.700 -0.398 0.000 1.034 568 T CA -0.775 61.293 62.100 -0.054 0.000 1.018 568 T CB 1.431 70.256 68.868 -0.072 0.000 1.135 568 T HN 0.704 nan 8.240 nan 0.000 0.532 569 C N 3.222 122.106 119.300 -0.693 0.000 2.585 569 C HA 0.543 5.005 4.460 0.004 0.000 0.406 569 C C -2.138 172.576 174.990 -0.460 0.000 1.312 569 C CA -1.149 57.373 59.018 -0.826 0.000 1.924 569 C CB -0.494 26.792 27.740 -0.757 0.000 2.578 569 C HN 0.722 nan 8.230 nan 0.000 0.580 570 P HA 0.317 nan 4.420 nan 0.000 0.277 570 P C -0.593 176.356 177.300 -0.586 0.000 1.240 570 P CA 0.060 62.869 63.100 -0.486 0.000 0.798 570 P CB 0.705 32.074 31.700 -0.552 0.000 0.979 571 T N -1.104 113.136 114.554 -0.524 0.000 2.940 571 T HA 0.711 5.063 4.350 0.004 0.000 0.288 571 T C -0.630 173.731 174.700 -0.566 0.000 1.033 571 T CA -0.587 61.230 62.100 -0.472 0.000 1.033 571 T CB 0.494 69.235 68.868 -0.212 0.000 1.079 571 T HN 0.033 nan 8.240 nan 0.000 0.496 572 F N 1.188 121.085 119.950 -0.088 0.000 2.458 572 F HA 0.719 5.249 4.527 0.005 0.000 0.330 572 F C 0.380 176.165 175.800 -0.025 0.000 1.082 572 F CA -1.376 56.584 58.000 -0.067 0.000 0.995 572 F CB 1.455 40.418 39.000 -0.062 0.000 1.170 572 F HN 0.740 nan 8.300 nan 0.000 0.478 573 I N -2.058 118.620 120.570 0.180 0.000 3.108 573 I HA 0.551 4.723 4.170 0.004 0.000 0.312 573 I C -0.052 176.130 176.117 0.108 0.000 1.095 573 I CA -0.854 60.508 61.300 0.102 0.000 1.000 573 I CB 1.963 39.991 38.000 0.047 0.000 1.229 573 I HN 0.405 nan 8.210 nan 0.000 0.454 574 D N 1.096 121.539 120.400 0.072 0.000 2.162 574 D HA 0.012 4.654 4.640 0.004 0.000 0.203 574 D C 0.283 176.617 176.300 0.057 0.000 0.967 574 D CA 1.314 55.357 54.000 0.072 0.000 0.840 574 D CB 0.142 40.975 40.800 0.055 0.000 0.972 574 D HN 0.410 nan 8.370 nan 0.000 0.482 575 K N 0.994 121.401 120.400 0.012 0.000 2.168 575 K HA 0.423 4.745 4.320 0.004 0.000 0.239 575 K C -2.515 174.020 176.600 -0.108 0.000 0.999 575 K CA -2.039 54.210 56.287 -0.063 0.000 0.900 575 K CB 0.368 32.836 32.500 -0.053 0.000 1.111 575 K HN -0.165 nan 8.250 nan 0.000 0.452 576 P HA 0.210 nan 4.420 nan 0.000 0.268 576 P C -0.454 176.797 177.300 -0.083 0.000 1.205 576 P CA 0.133 63.119 63.100 -0.190 0.000 0.771 576 P CB 0.572 32.096 31.700 -0.294 0.000 0.858 577 G N 1.496 110.275 108.800 -0.035 0.000 2.358 577 G HA2 0.440 4.403 3.960 0.004 0.000 0.303 577 G HA3 0.440 4.403 3.960 0.004 0.000 0.303 577 G C -1.985 172.915 174.900 0.001 0.000 1.537 577 G CA -0.661 44.428 45.100 -0.017 0.000 0.928 577 G HN 0.398 nan 8.290 nan 0.000 0.656 578 I N 0.102 120.668 120.570 -0.007 0.000 2.569 578 I HA 0.588 4.760 4.170 0.004 0.000 0.290 578 I C -0.367 175.737 176.117 -0.021 0.000 1.088 578 I CA -0.951 60.339 61.300 -0.016 0.000 1.047 578 I CB 2.682 40.670 38.000 -0.020 0.000 1.237 578 I HN 0.373 nan 8.210 nan 0.000 0.421 579 R N 6.498 126.977 120.500 -0.034 0.000 2.468 579 R HA 0.624 4.967 4.340 0.004 0.000 0.302 579 R C -1.217 175.058 176.300 -0.041 0.000 1.041 579 R CA -0.588 55.495 56.100 -0.028 0.000 0.899 579 R CB 2.040 32.324 30.300 -0.026 0.000 1.167 579 R HN 0.554 nan 8.270 nan 0.000 0.483 580 I N 2.008 122.561 120.570 -0.028 0.000 2.336 580 I HA 0.258 4.430 4.170 0.004 0.000 0.292 580 I C 0.125 176.240 176.117 -0.004 0.000 0.991 580 I CA -0.552 60.728 61.300 -0.033 0.000 1.227 580 I CB 2.070 40.046 38.000 -0.040 0.000 1.366 580 I HN 0.356 nan 8.210 nan 0.000 0.466 581 T N 5.627 120.174 114.554 -0.012 0.000 2.743 581 T HA 0.180 4.533 4.350 0.004 0.000 0.292 581 T C 0.028 174.738 174.700 0.016 0.000 0.972 581 T CA -0.329 61.775 62.100 0.007 0.000 0.967 581 T CB 0.398 69.266 68.868 -0.002 0.000 0.926 581 T HN 0.598 nan 8.240 nan 0.000 0.459 582 E N 0.845 121.072 120.200 0.045 0.000 2.271 582 E HA -0.130 4.222 4.350 0.004 0.000 0.223 582 E C 0.514 177.148 176.600 0.056 0.000 1.223 582 E CA 0.517 56.956 56.400 0.065 0.000 0.704 582 E CB -1.440 28.294 29.700 0.056 0.000 1.194 582 E HN 0.882 nan 8.360 nan 0.000 0.375 583 G N 0.569 109.401 108.800 0.054 0.000 2.467 583 G HA2 0.474 4.436 3.960 0.004 0.000 0.257 583 G HA3 0.474 4.436 3.960 0.004 0.000 0.257 583 G C 0.096 175.024 174.900 0.047 0.000 1.227 583 G CA -0.457 44.648 45.100 0.008 0.000 0.835 583 G HN 0.078 nan 8.290 nan 0.000 0.556 584 R N -0.453 119.988 120.500 -0.099 0.000 2.795 584 R HA 0.287 4.629 4.340 0.004 0.000 0.275 584 R C -0.639 175.400 176.300 -0.434 0.000 0.981 584 R CA -0.961 54.916 56.100 -0.371 0.000 0.917 584 R CB 1.682 31.723 30.300 -0.432 0.000 1.202 584 R HN 0.642 nan 8.270 nan 0.000 0.469 585 H N 4.094 122.695 119.070 -0.782 0.000 2.878 585 H HA 0.108 4.667 4.556 0.004 0.000 0.290 585 H C -1.759 173.349 175.328 -0.368 0.000 1.065 585 H CA -2.031 53.787 56.048 -0.384 0.000 1.477 585 H CB 1.282 30.950 29.762 -0.156 0.000 1.484 585 H HN 0.311 nan 8.280 nan 0.000 0.504 586 P HA -0.208 nan 4.420 nan 0.000 0.215 586 P C 1.633 178.976 177.300 0.073 0.000 1.157 586 P CA 0.993 64.054 63.100 -0.065 0.000 0.874 586 P CB 0.403 32.037 31.700 -0.110 0.000 0.790 587 V N -0.666 119.385 119.914 0.229 0.000 2.302 587 V HA -0.133 3.989 4.120 0.004 0.000 0.243 587 V C 2.541 178.696 176.094 0.102 0.000 1.036 587 V CA 1.475 63.882 62.300 0.178 0.000 1.020 587 V CB -1.265 30.686 31.823 0.213 0.000 0.657 587 V HN -0.088 nan 8.190 nan 0.000 0.453 588 V N 1.473 121.421 119.914 0.056 0.000 2.720 588 V HA -0.238 3.885 4.120 0.004 0.000 0.256 588 V C 2.426 178.569 176.094 0.081 0.000 1.082 588 V CA 2.083 64.352 62.300 -0.052 0.000 1.101 588 V CB -0.867 30.834 31.823 -0.202 0.000 0.693 588 V HN 0.865 nan 8.190 nan 0.000 0.479 589 E N -0.409 119.799 120.200 0.013 0.000 2.481 589 E HA -0.142 4.210 4.350 0.004 0.000 0.195 589 E C 1.776 178.409 176.600 0.055 0.000 1.047 589 E CA 0.436 56.860 56.400 0.040 0.000 0.867 589 E CB 0.008 29.586 29.700 -0.203 0.000 0.858 589 E HN 0.556 nan 8.360 nan 0.000 0.513 590 Q N 0.393 120.218 119.800 0.040 0.000 2.392 590 Q HA 0.030 4.372 4.340 0.004 0.000 0.219 590 Q C 2.339 178.355 176.000 0.028 0.000 0.895 590 Q CA 1.048 56.870 55.803 0.032 0.000 0.929 590 Q CB 1.075 29.828 28.738 0.026 0.000 1.077 590 Q HN 0.393 nan 8.270 nan 0.000 0.532 591 V N -1.667 118.264 119.914 0.029 0.000 2.492 591 V HA 0.087 4.209 4.120 0.004 0.000 0.241 591 V C 0.959 177.063 176.094 0.016 0.000 1.041 591 V CA 0.015 62.325 62.300 0.016 0.000 1.057 591 V CB -0.303 31.523 31.823 0.005 0.000 0.711 591 V HN 0.078 nan 8.190 nan 0.000 0.468 592 L N 2.721 123.960 121.223 0.026 0.000 2.615 592 L HA 0.031 4.374 4.340 0.004 0.000 0.284 592 L C 1.572 178.458 176.870 0.027 0.000 1.237 592 L CA 1.045 55.899 54.840 0.022 0.000 0.905 592 L CB -0.743 41.342 42.059 0.043 0.000 1.149 592 L HN 0.402 nan 8.230 nan 0.000 0.499 593 N N 1.375 120.085 118.700 0.016 0.000 2.251 593 N HA -0.038 4.704 4.740 0.004 0.000 0.181 593 N C -0.024 175.499 175.510 0.022 0.000 1.019 593 N CA 0.228 53.288 53.050 0.018 0.000 0.862 593 N CB 0.400 38.895 38.487 0.012 0.000 0.992 593 N HN 0.771 nan 8.380 nan 0.000 0.429 594 E N 2.270 122.481 120.200 0.018 0.000 2.425 594 E HA 0.134 4.486 4.350 0.004 0.000 0.258 594 E C -2.401 174.217 176.600 0.029 0.000 1.151 594 E CA -1.454 54.958 56.400 0.019 0.000 0.958 594 E CB -0.236 29.472 29.700 0.013 0.000 0.968 594 E HN 0.107 nan 8.360 nan 0.000 0.451 595 P HA 0.090 nan 4.420 nan 0.000 0.277 595 P C -1.250 176.086 177.300 0.060 0.000 1.240 595 P CA -0.393 62.745 63.100 0.064 0.000 0.798 595 P CB 0.403 32.136 31.700 0.054 0.000 0.979 596 F N 2.769 122.723 119.950 0.008 0.000 2.420 596 F HA 0.258 4.787 4.527 0.004 0.000 0.352 596 F C 0.160 175.976 175.800 0.027 0.000 1.108 596 F CA -0.777 57.225 58.000 0.003 0.000 1.162 596 F CB 0.369 39.377 39.000 0.014 0.000 1.118 596 F HN 0.077 nan 8.300 nan 0.000 0.510 597 I N 6.616 126.924 120.570 -0.437 0.000 2.308 597 I HA 0.211 4.383 4.170 0.004 0.000 0.293 597 I C 0.562 176.749 176.117 0.115 0.000 1.078 597 I CA -0.670 60.568 61.300 -0.103 0.000 1.292 597 I CB -0.295 37.640 38.000 -0.110 0.000 1.423 597 I HN 0.636 nan 8.210 nan 0.000 0.493 598 A N 7.891 130.871 122.820 0.267 0.000 2.450 598 A HA 0.443 4.765 4.320 0.004 0.000 0.255 598 A C 0.279 177.984 177.584 0.202 0.000 1.096 598 A CA -0.285 51.931 52.037 0.298 0.000 0.778 598 A CB 0.100 19.222 19.000 0.203 0.000 1.031 598 A HN 0.757 nan 8.150 nan 0.000 0.494 599 N N 2.217 121.063 118.700 0.243 0.000 2.381 599 N HA 0.636 5.378 4.740 0.004 0.000 0.294 599 N C -2.967 172.675 175.510 0.219 0.000 1.216 599 N CA -1.178 51.997 53.050 0.208 0.000 0.803 599 N CB 2.262 40.904 38.487 0.259 0.000 1.372 599 N HN 0.449 nan 8.380 nan 0.000 0.500 600 P HA 0.516 nan 4.420 nan 0.000 0.287 600 P C -1.112 176.323 177.300 0.225 0.000 1.296 600 P CA -0.521 62.669 63.100 0.149 0.000 0.811 600 P CB 1.550 33.303 31.700 0.087 0.000 1.211 601 L N -0.435 120.863 121.223 0.126 0.000 2.556 601 L HA 0.555 4.897 4.340 0.004 0.000 0.257 601 L C -1.633 175.272 176.870 0.059 0.000 0.955 601 L CA -0.344 54.572 54.840 0.127 0.000 0.850 601 L CB 2.105 44.186 42.059 0.037 0.000 1.398 601 L HN 0.452 nan 8.230 nan 0.000 0.412 602 N N 4.769 123.504 118.700 0.059 0.000 2.640 602 N HA 0.394 5.136 4.740 0.004 0.000 0.262 602 N C -2.024 173.501 175.510 0.025 0.000 1.174 602 N CA -0.340 52.728 53.050 0.030 0.000 0.791 602 N CB 0.984 39.487 38.487 0.027 0.000 1.279 602 N HN 0.635 nan 8.380 nan 0.000 0.535 603 L N 2.242 123.473 121.223 0.012 0.000 2.307 603 L HA 0.519 4.861 4.340 0.004 0.000 0.284 603 L C 0.556 177.422 176.870 -0.007 0.000 1.023 603 L CA -0.428 54.416 54.840 0.006 0.000 0.810 603 L CB 1.628 43.690 42.059 0.005 0.000 1.231 603 L HN 0.490 nan 8.230 nan 0.000 0.423 604 S N 2.171 117.864 115.700 -0.011 0.000 2.806 604 S HA 0.596 5.069 4.470 0.004 0.000 0.306 604 S C -2.491 172.091 174.600 -0.030 0.000 1.167 604 S CA -1.254 56.932 58.200 -0.023 0.000 0.847 604 S CB 2.012 65.202 63.200 -0.018 0.000 1.216 604 S HN 0.289 nan 8.310 nan 0.000 0.532 605 P HA 0.070 nan 4.420 nan 0.000 0.223 605 P C 0.774 178.058 177.300 -0.027 0.000 1.151 605 P CA 1.065 64.141 63.100 -0.039 0.000 0.787 605 P CB 0.010 31.683 31.700 -0.045 0.000 0.788 606 Q N -1.605 118.182 119.800 -0.022 0.000 2.376 606 Q HA 0.083 4.425 4.340 0.004 0.000 0.206 606 Q C 1.179 177.168 176.000 -0.018 0.000 0.921 606 Q CA 0.550 56.342 55.803 -0.018 0.000 0.911 606 Q CB 0.167 28.896 28.738 -0.014 0.000 1.032 606 Q HN 0.058 nan 8.270 nan 0.000 0.510 607 R N 1.122 121.613 120.500 -0.016 0.000 2.651 607 R HA 0.209 4.551 4.340 0.004 0.000 0.282 607 R C 0.263 176.558 176.300 -0.009 0.000 1.565 607 R CA -0.069 56.024 56.100 -0.012 0.000 1.661 607 R CB 0.247 30.544 30.300 -0.004 0.000 1.189 607 R HN 0.117 nan 8.270 nan 0.000 0.621 608 R N 1.992 122.483 120.500 -0.015 0.000 2.334 608 R HA 0.238 4.581 4.340 0.004 0.000 0.212 608 R C 0.065 176.364 176.300 -0.001 0.000 0.897 608 R CA -0.030 56.064 56.100 -0.011 0.000 1.056 608 R CB 0.575 30.863 30.300 -0.019 0.000 1.046 608 R HN 0.275 nan 8.270 nan 0.000 0.513 609 M N 1.862 121.455 119.600 -0.011 0.000 2.213 609 M HA 0.368 4.850 4.480 0.004 0.000 0.286 609 M C -1.935 174.365 176.300 -0.001 0.000 1.008 609 M CA -0.741 54.557 55.300 -0.003 0.000 0.937 609 M CB 2.038 34.608 32.600 -0.051 0.000 1.600 609 M HN 0.009 nan 8.290 nan 0.000 0.450 610 L N 6.435 127.688 121.223 0.051 0.000 2.262 610 L HA 0.434 4.776 4.340 0.004 0.000 0.288 610 L C -0.331 176.593 176.870 0.090 0.000 1.035 610 L CA -0.978 53.900 54.840 0.064 0.000 0.820 610 L CB 0.832 42.961 42.059 0.116 0.000 1.204 610 L HN 0.613 nan 8.230 nan 0.000 0.424 611 I N 5.090 125.668 120.570 0.013 0.000 2.587 611 I HA 0.106 4.278 4.170 0.004 0.000 0.284 611 I C 0.377 176.547 176.117 0.088 0.000 1.134 611 I CA 0.244 61.568 61.300 0.040 0.000 1.410 611 I CB 0.326 38.266 38.000 -0.101 0.000 1.392 611 I HN 0.458 nan 8.210 nan 0.000 0.545 612 I N 6.808 127.473 120.570 0.159 0.000 2.359 612 I HA 0.221 4.394 4.170 0.004 0.000 0.284 612 I C 0.779 176.985 176.117 0.148 0.000 1.018 612 I CA -0.441 60.941 61.300 0.137 0.000 1.173 612 I CB 1.224 39.317 38.000 0.154 0.000 1.326 612 I HN 0.576 nan 8.210 nan 0.000 0.462 613 T N 2.157 116.795 114.554 0.141 0.000 2.852 613 T HA 0.919 5.271 4.350 0.004 0.000 0.281 613 T C 0.305 175.147 174.700 0.237 0.000 0.993 613 T CA -0.598 61.613 62.100 0.184 0.000 0.933 613 T CB 1.963 70.905 68.868 0.123 0.000 1.187 613 T HN 0.980 nan 8.240 nan 0.000 0.559 614 G N 0.242 109.209 108.800 0.280 0.000 2.326 614 G HA2 0.350 4.312 3.960 0.004 0.000 0.413 614 G HA3 0.350 4.312 3.960 0.004 0.000 0.413 614 G C -3.433 171.677 174.900 0.350 0.000 1.444 614 G CA -0.892 44.401 45.100 0.322 0.000 1.002 614 G HN 0.734 nan 8.290 nan 0.000 0.649 615 P HA 0.141 nan 4.420 nan 0.000 0.272 615 P C -0.098 177.425 177.300 0.371 0.000 1.230 615 P CA -0.501 62.807 63.100 0.346 0.000 0.788 615 P CB 0.687 32.600 31.700 0.355 0.000 0.949 616 N N 1.947 120.842 118.700 0.325 0.000 2.359 616 N HA -0.038 4.704 4.740 0.004 0.000 0.261 616 N C 0.857 176.409 175.510 0.070 0.000 1.267 616 N CA 0.822 54.049 53.050 0.294 0.000 0.864 616 N CB -0.150 38.501 38.487 0.274 0.000 1.063 616 N HN 0.484 nan 8.380 nan 0.000 0.474 617 M N 0.438 119.991 119.600 -0.079 0.000 2.990 617 M HA -0.184 4.299 4.480 0.004 0.000 0.206 617 M C 1.122 177.194 176.300 -0.380 0.000 0.594 617 M CA 1.063 56.131 55.300 -0.387 0.000 0.787 617 M CB -1.663 30.444 32.600 -0.822 0.000 2.812 617 M HN 0.589 nan 8.290 nan 0.000 0.300 618 G N -0.157 108.651 108.800 0.014 0.000 2.650 618 G HA2 0.361 4.323 3.960 0.004 0.000 0.214 618 G HA3 0.361 4.323 3.960 0.004 0.000 0.214 618 G C 1.175 176.182 174.900 0.177 0.000 1.136 618 G CA 0.807 46.022 45.100 0.192 0.000 0.789 618 G HN 1.274 nan 8.290 nan 0.000 0.536 619 G N -0.419 108.481 108.800 0.167 0.000 2.181 619 G HA2 -0.186 3.777 3.960 0.004 0.000 0.152 619 G HA3 -0.186 3.777 3.960 0.004 0.000 0.152 619 G C 0.861 175.859 174.900 0.164 0.000 1.026 619 G CA 0.500 45.714 45.100 0.190 0.000 0.699 619 G HN 0.460 nan 8.290 nan 0.000 0.497 620 K N 0.204 120.687 120.400 0.138 0.000 1.995 620 K HA 0.080 4.402 4.320 0.004 0.000 0.207 620 K C 2.655 179.352 176.600 0.161 0.000 1.041 620 K CA 1.240 57.615 56.287 0.147 0.000 0.942 620 K CB -0.313 32.254 32.500 0.110 0.000 0.731 620 K HN 0.219 nan 8.250 nan 0.000 0.439 621 S N 0.690 116.447 115.700 0.095 0.000 2.389 621 S HA -0.190 4.282 4.470 0.004 0.000 0.231 621 S C 1.968 176.643 174.600 0.125 0.000 1.052 621 S CA 2.018 60.265 58.200 0.077 0.000 1.053 621 S CB -0.406 62.813 63.200 0.033 0.000 0.886 621 S HN 0.372 nan 8.310 nan 0.000 0.456 622 T N 0.108 114.754 114.554 0.154 0.000 2.812 622 T HA -0.040 4.312 4.350 0.004 0.000 0.264 622 T C 1.532 176.410 174.700 0.297 0.000 1.042 622 T CA 1.073 63.296 62.100 0.205 0.000 1.140 622 T CB -0.405 68.552 68.868 0.149 0.000 0.870 622 T HN 0.518 nan 8.240 nan 0.000 0.445 623 Y N 1.669 122.059 120.300 0.150 0.000 2.315 623 Y HA -0.090 4.462 4.550 0.004 0.000 0.288 623 Y C 2.124 178.083 175.900 0.098 0.000 1.154 623 Y CA 1.140 59.322 58.100 0.136 0.000 1.229 623 Y CB -0.419 38.106 38.460 0.109 0.000 0.980 623 Y HN 0.150 nan 8.280 nan 0.000 0.540 624 M N -0.857 118.807 119.600 0.106 0.000 2.160 624 M HA -0.119 4.363 4.480 0.004 0.000 0.264 624 M C 2.212 178.496 176.300 -0.027 0.000 1.073 624 M CA 1.519 56.823 55.300 0.007 0.000 1.142 624 M CB -0.446 32.191 32.600 0.062 0.000 1.358 624 M HN 0.101 nan 8.290 nan 0.000 0.422 625 R N 0.911 121.436 120.500 0.042 0.000 2.096 625 R HA -0.189 4.153 4.340 0.004 0.000 0.235 625 R C 2.368 178.607 176.300 -0.101 0.000 1.127 625 R CA 1.797 57.910 56.100 0.022 0.000 0.968 625 R CB -0.444 29.955 30.300 0.165 0.000 0.861 625 R HN 0.574 nan 8.270 nan 0.000 0.440 626 Q N -0.093 119.660 119.800 -0.079 0.000 2.172 626 Q HA -0.080 4.262 4.340 0.004 0.000 0.200 626 Q C 1.301 177.170 176.000 -0.219 0.000 0.964 626 Q CA 1.709 57.385 55.803 -0.212 0.000 0.855 626 Q CB -0.178 28.523 28.738 -0.063 0.000 0.918 626 Q HN 0.117 nan 8.270 nan 0.000 0.444 627 T N 1.574 115.994 114.554 -0.223 0.000 2.684 627 T HA -0.142 4.210 4.350 0.004 0.000 0.267 627 T C 2.045 176.664 174.700 -0.135 0.000 1.036 627 T CA 1.719 63.698 62.100 -0.202 0.000 1.148 627 T CB -0.464 68.267 68.868 -0.228 0.000 0.863 627 T HN 0.536 nan 8.240 nan 0.000 0.436 628 A N 0.988 123.738 122.820 -0.117 0.000 1.930 628 A HA 0.088 4.410 4.320 0.004 0.000 0.217 628 A C 2.295 179.821 177.584 -0.097 0.000 1.175 628 A CA 1.053 53.040 52.037 -0.084 0.000 0.627 628 A CB -0.761 18.198 19.000 -0.069 0.000 0.815 628 A HN 0.486 nan 8.150 nan 0.000 0.443 629 L N -1.000 120.131 121.223 -0.154 0.000 2.217 629 L HA -0.044 4.298 4.340 0.004 0.000 0.211 629 L C 2.327 179.102 176.870 -0.158 0.000 1.107 629 L CA 0.670 55.405 54.840 -0.176 0.000 0.783 629 L CB -0.307 41.575 42.059 -0.295 0.000 0.919 629 L HN 0.360 nan 8.230 nan 0.000 0.442 630 I N -0.335 120.137 120.570 -0.164 0.000 2.277 630 I HA -0.182 3.990 4.170 0.004 0.000 0.243 630 I C 2.758 178.819 176.117 -0.094 0.000 1.094 630 I CA 0.936 62.139 61.300 -0.162 0.000 1.393 630 I CB -0.253 37.643 38.000 -0.174 0.000 1.078 630 I HN 0.145 nan 8.210 nan 0.000 0.417 631 A N 0.682 123.475 122.820 -0.045 0.000 1.958 631 A HA -0.261 4.061 4.320 0.004 0.000 0.221 631 A C 2.339 180.003 177.584 0.134 0.000 1.178 631 A CA 1.872 53.949 52.037 0.067 0.000 0.642 631 A CB -0.898 18.147 19.000 0.075 0.000 0.816 631 A HN 0.514 nan 8.150 nan 0.000 0.453 632 L N -1.457 119.793 121.223 0.044 0.000 2.049 632 L HA -0.107 4.235 4.340 0.004 0.000 0.203 632 L C 2.644 179.557 176.870 0.070 0.000 1.074 632 L CA 1.671 56.545 54.840 0.057 0.000 0.749 632 L CB -0.244 41.805 42.059 -0.017 0.000 0.907 632 L HN 0.423 nan 8.230 nan 0.000 0.439 633 M N -0.226 119.379 119.600 0.007 0.000 2.117 633 M HA -0.186 4.296 4.480 0.004 0.000 0.262 633 M C 2.394 178.718 176.300 0.040 0.000 1.065 633 M CA 1.815 57.126 55.300 0.018 0.000 1.114 633 M CB -0.557 32.007 32.600 -0.060 0.000 1.361 633 M HN 0.443 nan 8.290 nan 0.000 0.408 634 A N -0.714 122.097 122.820 -0.016 0.000 1.940 634 A HA -0.177 4.145 4.320 0.004 0.000 0.219 634 A C 1.457 179.032 177.584 -0.014 0.000 1.176 634 A CA 1.506 53.495 52.037 -0.079 0.000 0.631 634 A CB -0.836 18.031 19.000 -0.221 0.000 0.814 634 A HN 0.547 nan 8.150 nan 0.000 0.446 635 Y N -0.477 119.901 120.300 0.129 0.000 2.493 635 Y HA 0.269 4.822 4.550 0.006 0.000 0.275 635 Y C 1.517 177.440 175.900 0.039 0.000 1.183 635 Y CA 0.002 58.163 58.100 0.102 0.000 1.258 635 Y CB -0.022 38.474 38.460 0.059 0.000 1.108 635 Y HN 0.512 nan 8.280 nan 0.000 0.521 636 I N -4.813 115.861 120.570 0.172 0.000 4.018 636 I HA 0.500 4.672 4.170 0.004 0.000 0.337 636 I C 1.579 177.766 176.117 0.117 0.000 1.327 636 I CA 0.706 62.086 61.300 0.132 0.000 1.100 636 I CB 0.358 38.507 38.000 0.247 0.000 1.025 636 I HN 0.064 nan 8.210 nan 0.000 0.396 637 G N 1.303 110.184 108.800 0.135 0.000 2.195 637 G HA2 -0.310 3.652 3.960 0.004 0.000 0.246 637 G HA3 -0.310 3.652 3.960 0.004 0.000 0.246 637 G C 0.483 175.514 174.900 0.219 0.000 0.984 637 G CA 0.271 45.466 45.100 0.158 0.000 0.633 637 G HN 0.664 nan 8.290 nan 0.000 0.525 638 S N -0.096 115.738 115.700 0.224 0.000 2.579 638 S HA 0.526 4.998 4.470 0.004 0.000 0.275 638 S C 0.838 175.631 174.600 0.321 0.000 1.345 638 S CA -0.484 57.870 58.200 0.258 0.000 1.031 638 S CB 0.241 63.568 63.200 0.211 0.000 0.892 638 S HN 0.336 nan 8.310 nan 0.000 0.529 639 Y N 1.730 122.094 120.300 0.107 0.000 2.335 639 Y HA 0.385 4.937 4.550 0.003 0.000 0.348 639 Y C 0.843 176.742 175.900 -0.002 0.000 1.280 639 Y CA -0.663 57.490 58.100 0.088 0.000 1.504 639 Y CB 0.106 38.674 38.460 0.180 0.000 1.366 639 Y HN 0.393 nan 8.280 nan 0.000 0.621 640 V N 3.328 123.233 119.914 -0.015 0.000 2.876 640 V HA 0.377 4.499 4.120 0.004 0.000 0.312 640 V C -2.282 173.499 176.094 -0.521 0.000 1.085 640 V CA -2.251 59.849 62.300 -0.334 0.000 0.945 640 V CB 2.658 34.342 31.823 -0.231 0.000 1.017 640 V HN 0.592 nan 8.190 nan 0.000 0.428 641 P HA 0.410 nan 4.420 nan 0.000 0.237 641 P C -0.769 176.413 177.300 -0.196 0.000 1.788 641 P CA 0.268 63.044 63.100 -0.540 0.000 1.061 641 P CB 0.343 31.716 31.700 -0.545 0.000 1.967 642 A N 1.716 124.481 122.820 -0.092 0.000 2.586 642 A HA 0.288 4.610 4.320 0.004 0.000 0.291 642 A C 0.862 178.438 177.584 -0.013 0.000 1.062 642 A CA -0.474 51.533 52.037 -0.050 0.000 0.666 642 A CB 0.722 19.672 19.000 -0.084 0.000 1.281 642 A HN 0.211 nan 8.150 nan 0.000 0.421 643 Q N 0.003 119.802 119.800 -0.002 0.000 2.172 643 Q HA 0.051 4.393 4.340 0.004 0.000 0.200 643 Q C 0.263 176.246 176.000 -0.028 0.000 0.964 643 Q CA 1.380 57.184 55.803 0.001 0.000 0.855 643 Q CB 0.068 28.814 28.738 0.013 0.000 0.918 643 Q HN 0.488 nan 8.270 nan 0.000 0.444 644 K N -0.702 119.669 120.400 -0.048 0.000 2.572 644 K HA 0.377 4.699 4.320 0.004 0.000 0.263 644 K C -2.100 174.442 176.600 -0.096 0.000 0.932 644 K CA -0.477 55.764 56.287 -0.076 0.000 0.838 644 K CB 2.375 34.841 32.500 -0.057 0.000 1.366 644 K HN -0.100 nan 8.250 nan 0.000 0.425 645 V N 3.503 123.334 119.914 -0.138 0.000 2.610 645 V HA 0.281 4.403 4.120 0.004 0.000 0.298 645 V C -1.115 174.863 176.094 -0.194 0.000 1.067 645 V CA -0.796 61.409 62.300 -0.159 0.000 0.894 645 V CB 1.857 33.566 31.823 -0.191 0.000 1.015 645 V HN 0.714 nan 8.190 nan 0.000 0.432 646 E N 5.172 125.285 120.200 -0.146 0.000 2.166 646 E HA 0.707 5.060 4.350 0.004 0.000 0.275 646 E C -0.975 175.561 176.600 -0.107 0.000 0.941 646 E CA -0.613 55.702 56.400 -0.142 0.000 0.784 646 E CB 3.316 32.964 29.700 -0.086 0.000 1.115 646 E HN 0.572 nan 8.360 nan 0.000 0.399 647 I N 1.267 121.775 120.570 -0.103 0.000 2.692 647 I HA 0.437 4.609 4.170 0.004 0.000 0.293 647 I C -0.240 175.954 176.117 0.129 0.000 1.200 647 I CA -0.462 60.837 61.300 -0.001 0.000 1.036 647 I CB 1.738 39.727 38.000 -0.019 0.000 1.258 647 I HN 0.653 nan 8.210 nan 0.000 0.421 648 G N 5.816 114.708 108.800 0.153 0.000 2.543 648 G HA2 0.611 4.573 3.960 0.004 0.000 0.267 648 G HA3 0.611 4.573 3.960 0.004 0.000 0.267 648 G C -2.936 172.146 174.900 0.303 0.000 1.406 648 G CA -1.210 44.003 45.100 0.188 0.000 1.048 648 G HN 0.385 nan 8.290 nan 0.000 0.548 649 P HA 0.384 nan 4.420 nan 0.000 0.281 649 P C -0.717 176.663 177.300 0.134 0.000 1.252 649 P CA -0.008 63.224 63.100 0.220 0.000 0.778 649 P CB 1.066 32.946 31.700 0.300 0.000 0.895 650 I N 3.242 123.770 120.570 -0.070 0.000 2.418 650 I HA 0.200 4.373 4.170 0.004 0.000 0.287 650 I C 0.995 177.025 176.117 -0.145 0.000 1.008 650 I CA -0.490 60.767 61.300 -0.072 0.000 1.104 650 I CB 2.210 40.151 38.000 -0.099 0.000 1.264 650 I HN 0.382 nan 8.210 nan 0.000 0.438 651 D N 5.569 125.956 120.400 -0.022 0.000 2.259 651 D HA 0.025 4.668 4.640 0.004 0.000 0.216 651 D C 0.747 176.983 176.300 -0.105 0.000 0.961 651 D CA 0.689 54.650 54.000 -0.064 0.000 0.878 651 D CB 0.652 41.441 40.800 -0.017 0.000 1.009 651 D HN 0.256 nan 8.370 nan 0.000 0.490 652 R N -0.052 120.389 120.500 -0.099 0.000 2.604 652 R HA 0.489 4.831 4.340 0.004 0.000 0.270 652 R C -1.514 174.614 176.300 -0.287 0.000 1.052 652 R CA -0.623 55.329 56.100 -0.246 0.000 0.902 652 R CB 1.771 31.896 30.300 -0.292 0.000 1.233 652 R HN 0.043 nan 8.270 nan 0.000 0.455 653 I N 3.749 124.095 120.570 -0.373 0.000 2.441 653 I HA 0.430 4.602 4.170 0.004 0.000 0.295 653 I C -0.713 175.122 176.117 -0.469 0.000 0.994 653 I CA -0.634 60.504 61.300 -0.271 0.000 1.144 653 I CB 1.336 39.255 38.000 -0.135 0.000 1.314 653 I HN 0.363 nan 8.210 nan 0.000 0.445 654 F N 2.986 122.927 119.950 -0.015 0.000 2.507 654 F HA 0.511 5.039 4.527 0.001 0.000 0.325 654 F C 0.260 176.044 175.800 -0.027 0.000 1.116 654 F CA -0.539 57.450 58.000 -0.019 0.000 0.930 654 F CB 2.207 41.199 39.000 -0.014 0.000 1.146 654 F HN 0.256 nan 8.300 nan 0.000 0.447 655 T N 3.628 118.263 114.554 0.135 0.000 2.887 655 T HA 0.539 4.891 4.350 0.004 0.000 0.288 655 T C -0.873 173.854 174.700 0.045 0.000 1.021 655 T CA -0.860 61.277 62.100 0.061 0.000 1.000 655 T CB 1.668 70.547 68.868 0.018 0.000 1.034 655 T HN 0.313 nan 8.240 nan 0.000 0.467 656 R N 2.339 122.836 120.500 -0.004 0.000 2.502 656 R HA 0.535 4.878 4.340 0.004 0.000 0.298 656 R C -1.969 174.295 176.300 -0.060 0.000 1.018 656 R CA -0.500 55.579 56.100 -0.034 0.000 0.899 656 R CB 1.487 31.754 30.300 -0.056 0.000 1.181 656 R HN 0.484 nan 8.270 nan 0.000 0.444 657 V N 3.803 123.689 119.914 -0.046 0.000 2.357 657 V HA 0.507 4.629 4.120 0.004 0.000 0.281 657 V C 0.729 176.798 176.094 -0.041 0.000 1.015 657 V CA -0.721 61.549 62.300 -0.050 0.000 0.827 657 V CB 1.563 33.367 31.823 -0.033 0.000 1.018 657 V HN 0.818 nan 8.190 nan 0.000 0.432 671 M N 1.786 121.330 119.600 -0.093 0.000 2.159 671 M HA 0.020 4.502 4.480 0.004 0.000 0.263 671 M C 1.533 177.663 176.300 -0.284 0.000 1.063 671 M CA 1.835 57.055 55.300 -0.134 0.000 1.110 671 M CB -0.272 32.316 32.600 -0.020 0.000 1.374 671 M HN 0.392 nan 8.290 nan 0.000 0.411 672 V N 0.812 120.369 119.914 -0.596 0.000 2.343 672 V HA -0.269 3.853 4.120 0.004 0.000 0.247 672 V C 2.122 178.055 176.094 -0.268 0.000 1.051 672 V CA 2.216 64.260 62.300 -0.427 0.000 1.036 672 V CB -0.935 30.561 31.823 -0.546 0.000 0.654 672 V HN 0.547 nan 8.190 nan 0.000 0.451 673 E N -0.348 119.692 120.200 -0.267 0.000 2.058 673 E HA -0.251 4.102 4.350 0.004 0.000 0.194 673 E C 2.251 178.796 176.600 -0.092 0.000 0.997 673 E CA 1.425 57.744 56.400 -0.135 0.000 0.801 673 E CB -0.293 29.357 29.700 -0.084 0.000 0.746 673 E HN 0.425 nan 8.360 nan 0.000 0.450 674 M N 0.612 120.161 119.600 -0.086 0.000 2.175 674 M HA -0.083 4.399 4.480 0.004 0.000 0.264 674 M C 2.270 178.532 176.300 -0.063 0.000 1.063 674 M CA 1.342 56.609 55.300 -0.054 0.000 1.119 674 M CB -1.033 31.546 32.600 -0.034 0.000 1.377 674 M HN 0.075 nan 8.290 nan 0.000 0.415 675 T N 0.230 114.740 114.554 -0.074 0.000 2.770 675 T HA -0.085 4.267 4.350 0.004 0.000 0.263 675 T C 1.761 176.429 174.700 -0.054 0.000 1.039 675 T CA 1.064 63.131 62.100 -0.055 0.000 1.142 675 T CB -0.087 68.747 68.868 -0.056 0.000 0.868 675 T HN 0.413 nan 8.240 nan 0.000 0.435 676 E N 0.482 120.644 120.200 -0.064 0.000 2.114 676 E HA -0.159 4.193 4.350 0.004 0.000 0.199 676 E C 2.236 178.799 176.600 -0.061 0.000 1.008 676 E CA 1.582 57.953 56.400 -0.047 0.000 0.810 676 E CB -0.147 29.522 29.700 -0.051 0.000 0.739 676 E HN 0.411 nan 8.360 nan 0.000 0.456 677 T N 0.324 114.830 114.554 -0.080 0.000 2.942 677 T HA -0.019 4.334 4.350 0.004 0.000 0.265 677 T C 1.923 176.524 174.700 -0.164 0.000 1.062 677 T CA 0.833 62.873 62.100 -0.101 0.000 1.139 677 T CB -0.084 68.743 68.868 -0.068 0.000 0.883 677 T HN 0.237 nan 8.240 nan 0.000 0.468 678 A N 2.411 125.128 122.820 -0.173 0.000 1.908 678 A HA -0.200 4.122 4.320 0.004 0.000 0.218 678 A C 2.144 179.488 177.584 -0.400 0.000 1.181 678 A CA 2.168 54.013 52.037 -0.320 0.000 0.627 678 A CB -0.859 18.041 19.000 -0.167 0.000 0.818 678 A HN 0.547 nan 8.150 nan 0.000 0.445 679 N N -0.112 118.495 118.700 -0.155 0.000 2.270 679 N HA -0.051 4.691 4.740 0.004 0.000 0.181 679 N C 1.455 176.856 175.510 -0.181 0.000 1.016 679 N CA 1.491 54.511 53.050 -0.050 0.000 0.870 679 N CB -0.369 38.139 38.487 0.035 0.000 0.979 679 N HN 0.513 nan 8.380 nan 0.000 0.431 680 I N 0.105 120.494 120.570 -0.301 0.000 2.226 680 I HA -0.223 3.949 4.170 0.004 0.000 0.245 680 I C 1.717 177.545 176.117 -0.482 0.000 1.100 680 I CA 0.917 61.853 61.300 -0.607 0.000 1.374 680 I CB -0.189 37.562 38.000 -0.415 0.000 1.057 680 I HN 0.227 nan 8.210 nan 0.000 0.413 681 L N -0.665 120.353 121.223 -0.341 0.000 2.395 681 L HA -0.144 4.198 4.340 0.004 0.000 0.218 681 L C 2.128 178.894 176.870 -0.175 0.000 1.130 681 L CA 1.027 55.708 54.840 -0.266 0.000 0.826 681 L CB -0.578 41.316 42.059 -0.276 0.000 0.941 681 L HN 0.337 nan 8.230 nan 0.000 0.451 682 H N -1.299 117.708 119.070 -0.104 0.000 2.520 682 H HA 0.111 4.670 4.556 0.006 0.000 0.279 682 H C 1.411 176.713 175.328 -0.042 0.000 0.990 682 H CA 0.423 56.438 56.048 -0.055 0.000 1.288 682 H CB 0.586 30.329 29.762 -0.033 0.000 1.446 682 H HN 0.266 nan 8.280 nan 0.000 0.538 683 N N 0.256 118.980 118.700 0.039 0.000 2.210 683 N HA 0.143 4.885 4.740 0.004 0.000 0.203 683 N C 0.193 175.759 175.510 0.093 0.000 1.175 683 N CA 0.130 53.234 53.050 0.091 0.000 0.894 683 N CB 1.096 39.700 38.487 0.195 0.000 1.041 683 N HN 0.064 nan 8.380 nan 0.000 0.506 684 A N 1.608 124.332 122.820 -0.159 0.000 2.462 684 A HA 0.407 4.729 4.320 0.004 0.000 0.243 684 A C 0.853 178.473 177.584 0.060 0.000 1.076 684 A CA 0.238 52.240 52.037 -0.060 0.000 0.773 684 A CB 0.141 18.963 19.000 -0.296 0.000 1.010 684 A HN 0.253 nan 8.150 nan 0.000 0.493 685 T N -1.444 113.196 114.554 0.143 0.000 2.858 685 T HA 0.432 4.784 4.350 0.004 0.000 0.285 685 T C 0.628 175.426 174.700 0.164 0.000 1.052 685 T CA -0.442 61.744 62.100 0.142 0.000 1.009 685 T CB 1.147 70.110 68.868 0.158 0.000 1.241 685 T HN 0.554 nan 8.240 nan 0.000 0.542 686 E N -0.468 119.841 120.200 0.183 0.000 2.455 686 E HA -0.103 4.249 4.350 0.004 0.000 0.202 686 E C 0.153 176.786 176.600 0.054 0.000 1.045 686 E CA 1.071 57.539 56.400 0.113 0.000 0.872 686 E CB -0.109 29.645 29.700 0.090 0.000 0.792 686 E HN 0.662 nan 8.360 nan 0.000 0.542 687 Y N -0.737 119.586 120.300 0.038 0.000 2.507 687 Y HA 0.154 4.709 4.550 0.008 0.000 0.254 687 Y C 0.523 176.443 175.900 0.034 0.000 1.171 687 Y CA -0.192 57.924 58.100 0.027 0.000 1.238 687 Y CB 0.737 39.202 38.460 0.007 0.000 1.148 687 Y HN -0.210 nan 8.280 nan 0.000 0.525 688 S N 0.985 116.798 115.700 0.187 0.000 2.565 688 S HA 0.439 4.911 4.470 0.004 0.000 0.290 688 S C -0.931 173.754 174.600 0.142 0.000 1.150 688 S CA -0.644 57.668 58.200 0.186 0.000 1.058 688 S CB 1.883 65.290 63.200 0.345 0.000 1.032 688 S HN 0.147 nan 8.310 nan 0.000 0.510 689 L N 3.676 124.970 121.223 0.117 0.000 2.257 689 L HA 0.557 4.899 4.340 0.004 0.000 0.290 689 L C -1.077 175.890 176.870 0.162 0.000 1.044 689 L CA -0.212 54.687 54.840 0.097 0.000 0.810 689 L CB 0.709 42.796 42.059 0.046 0.000 1.193 689 L HN 0.450 nan 8.230 nan 0.000 0.425 690 V N 6.997 127.006 119.914 0.159 0.000 2.370 690 V HA 0.366 4.488 4.120 0.004 0.000 0.283 690 V C 0.012 176.167 176.094 0.102 0.000 1.023 690 V CA -0.505 61.899 62.300 0.174 0.000 0.857 690 V CB 1.447 33.342 31.823 0.119 0.000 0.985 690 V HN 0.575 nan 8.190 nan 0.000 0.443 691 L N 6.154 127.425 121.223 0.080 0.000 2.297 691 L HA 0.508 4.850 4.340 0.004 0.000 0.277 691 L C -0.404 176.443 176.870 -0.038 0.000 1.040 691 L CA -0.292 54.562 54.840 0.023 0.000 0.867 691 L CB 0.884 42.953 42.059 0.016 0.000 1.244 691 L HN 0.456 nan 8.230 nan 0.000 0.433 692 M N 2.544 122.066 119.600 -0.130 0.000 2.063 692 M HA 0.240 4.722 4.480 0.004 0.000 0.348 692 M C -0.454 175.623 176.300 -0.371 0.000 1.180 692 M CA -0.333 54.782 55.300 -0.308 0.000 1.059 692 M CB 0.986 33.230 32.600 -0.593 0.000 1.544 692 M HN 0.262 nan 8.290 nan 0.000 0.447 693 D N 4.614 124.873 120.400 -0.235 0.000 2.485 693 D HA 0.213 4.856 4.640 0.004 0.000 0.221 693 D C -0.308 175.874 176.300 -0.197 0.000 1.112 693 D CA 0.378 54.263 54.000 -0.190 0.000 0.911 693 D CB 0.326 41.064 40.800 -0.102 0.000 1.019 693 D HN 0.662 nan 8.370 nan 0.000 0.516 694 E N 1.572 121.629 120.200 -0.239 0.000 2.260 694 E HA -0.208 4.144 4.350 0.004 0.000 0.204 694 E C 0.305 176.832 176.600 -0.121 0.000 1.319 694 E CA 0.246 56.529 56.400 -0.195 0.000 0.679 694 E CB -1.455 28.105 29.700 -0.235 0.000 1.158 694 E HN 0.631 nan 8.360 nan 0.000 0.376 695 I N -2.952 117.556 120.570 -0.104 0.000 3.660 695 I HA 0.778 4.950 4.170 0.004 0.000 0.285 695 I C 0.921 177.135 176.117 0.162 0.000 1.266 695 I CA -0.022 61.272 61.300 -0.010 0.000 0.987 695 I CB 1.364 39.319 38.000 -0.075 0.000 1.417 695 I HN 0.186 nan 8.210 nan 0.000 0.590 696 G N 1.521 110.410 108.800 0.148 0.000 2.905 696 G HA2 -0.194 3.768 3.960 0.004 0.000 0.245 696 G HA3 -0.194 3.768 3.960 0.004 0.000 0.245 696 G C -0.612 174.421 174.900 0.221 0.000 1.004 696 G CA -0.362 44.856 45.100 0.195 0.000 1.089 696 G HN 0.910 nan 8.290 nan 0.000 0.456 697 R N 1.195 121.782 120.500 0.145 0.000 2.437 697 R HA 0.717 5.059 4.340 0.004 0.000 0.310 697 R C 0.919 177.283 176.300 0.106 0.000 0.955 697 R CA 0.422 56.605 56.100 0.138 0.000 0.851 697 R CB 1.362 31.730 30.300 0.114 0.000 1.161 697 R HN 0.871 nan 8.270 nan 0.000 0.446 698 G N -0.645 108.214 108.800 0.098 0.000 3.175 698 G HA2 0.246 4.208 3.960 0.004 0.000 0.255 698 G HA3 0.246 4.208 3.960 0.004 0.000 0.255 698 G C 0.296 175.234 174.900 0.063 0.000 1.352 698 G CA -0.013 45.130 45.100 0.070 0.000 1.037 698 G HN 0.565 nan 8.290 nan 0.000 0.556 699 T N -3.709 110.874 114.554 0.047 0.000 2.971 699 T HA 0.346 4.699 4.350 0.004 0.000 0.252 699 T C 1.010 175.725 174.700 0.024 0.000 1.022 699 T CA 0.902 63.025 62.100 0.038 0.000 0.980 699 T CB 0.248 69.137 68.868 0.035 0.000 1.044 699 T HN 0.534 nan 8.240 nan 0.000 0.501 700 S N -0.381 115.331 115.700 0.020 0.000 2.798 700 S HA 0.485 4.957 4.470 0.004 0.000 0.312 700 S C 1.310 175.894 174.600 -0.026 0.000 1.122 700 S CA -0.166 58.036 58.200 0.003 0.000 0.949 700 S CB 1.252 64.462 63.200 0.016 0.000 1.235 700 S HN 0.228 nan 8.310 nan 0.000 0.552 701 T N 1.227 115.725 114.554 -0.092 0.000 2.665 701 T HA -0.124 4.229 4.350 0.004 0.000 0.268 701 T C 0.622 175.136 174.700 -0.311 0.000 1.035 701 T CA 2.052 63.992 62.100 -0.266 0.000 1.151 701 T CB -0.433 68.119 68.868 -0.526 0.000 0.862 701 T HN 0.632 nan 8.240 nan 0.000 0.438 702 Y N -0.159 120.123 120.300 -0.029 0.000 2.453 702 Y HA 0.273 4.825 4.550 0.003 0.000 0.247 702 Y C 1.709 177.562 175.900 -0.078 0.000 1.124 702 Y CA -1.203 56.852 58.100 -0.075 0.000 1.243 702 Y CB -0.087 38.332 38.460 -0.068 0.000 1.213 702 Y HN 0.076 nan 8.280 nan 0.000 0.523 703 D N 0.298 120.752 120.400 0.090 0.000 2.205 703 D HA -0.208 4.434 4.640 0.004 0.000 0.190 703 D C 2.443 178.766 176.300 0.039 0.000 1.002 703 D CA 2.178 56.209 54.000 0.053 0.000 0.848 703 D CB -0.449 40.378 40.800 0.044 0.000 0.975 703 D HN 0.367 nan 8.370 nan 0.000 0.449 704 G N -0.185 108.635 108.800 0.033 0.000 2.443 704 G HA2 -0.151 3.811 3.960 0.004 0.000 0.219 704 G HA3 -0.151 3.811 3.960 0.004 0.000 0.219 704 G C 1.620 176.526 174.900 0.011 0.000 1.131 704 G CA 0.930 46.063 45.100 0.055 0.000 0.775 704 G HN 0.379 nan 8.290 nan 0.000 0.547 705 L N 0.607 121.744 121.223 -0.143 0.000 2.095 705 L HA 0.181 4.523 4.340 0.004 0.000 0.204 705 L C 2.642 179.524 176.870 0.019 0.000 1.080 705 L CA 2.272 56.950 54.840 -0.272 0.000 0.759 705 L CB -0.845 40.889 42.059 -0.541 0.000 0.914 705 L HN 0.080 nan 8.230 nan 0.000 0.439 706 S N 0.030 115.740 115.700 0.017 0.000 2.392 706 S HA -0.235 4.237 4.470 0.004 0.000 0.232 706 S C 1.967 176.624 174.600 0.096 0.000 1.041 706 S CA 2.065 60.279 58.200 0.022 0.000 1.026 706 S CB -0.620 62.569 63.200 -0.019 0.000 0.845 706 S HN 0.538 nan 8.310 nan 0.000 0.465 707 L N 0.463 121.742 121.223 0.093 0.000 2.072 707 L HA -0.064 4.278 4.340 0.004 0.000 0.205 707 L C 2.554 179.523 176.870 0.163 0.000 1.079 707 L CA 1.175 56.079 54.840 0.108 0.000 0.752 707 L CB -0.510 41.600 42.059 0.085 0.000 0.906 707 L HN 0.366 nan 8.230 nan 0.000 0.436 708 A N -0.726 122.221 122.820 0.211 0.000 2.015 708 A HA -0.259 4.063 4.320 0.004 0.000 0.219 708 A C 2.072 179.815 177.584 0.265 0.000 1.163 708 A CA 1.250 53.478 52.037 0.319 0.000 0.646 708 A CB -0.854 18.414 19.000 0.447 0.000 0.806 708 A HN 0.741 nan 8.150 nan 0.000 0.448 709 W N 0.767 122.086 121.300 0.032 0.000 2.408 709 W HA -0.044 4.618 4.660 0.003 0.000 0.311 709 W C 2.300 178.790 176.519 -0.048 0.000 1.190 709 W CA 1.681 59.000 57.345 -0.044 0.000 1.321 709 W CB -0.702 28.729 29.460 -0.049 0.000 1.143 709 W HN 0.388 nan 8.180 nan 0.000 0.501 710 A N 0.386 123.434 122.820 0.380 0.000 1.917 710 A HA -0.265 4.057 4.320 0.004 0.000 0.219 710 A C 2.200 179.849 177.584 0.108 0.000 1.182 710 A CA 2.178 54.350 52.037 0.226 0.000 0.633 710 A CB -1.481 17.604 19.000 0.141 0.000 0.819 710 A HN 0.367 nan 8.150 nan 0.000 0.448 711 C N -1.403 117.958 119.300 0.102 0.000 2.440 711 C HA 0.140 4.602 4.460 0.004 0.000 0.278 711 C C 3.324 178.337 174.990 0.039 0.000 1.295 711 C CA 0.659 59.722 59.018 0.075 0.000 1.738 711 C CB -1.232 26.583 27.740 0.125 0.000 1.987 711 C HN 0.712 nan 8.230 nan 0.000 0.492 712 A N 0.201 122.998 122.820 -0.038 0.000 1.898 712 A HA -0.213 4.110 4.320 0.004 0.000 0.216 712 A C 2.129 179.590 177.584 -0.204 0.000 1.181 712 A CA 1.812 53.708 52.037 -0.236 0.000 0.620 712 A CB -0.668 17.921 19.000 -0.686 0.000 0.819 712 A HN 0.713 nan 8.150 nan 0.000 0.442 713 E N -0.039 120.056 120.200 -0.176 0.000 2.110 713 E HA -0.221 4.131 4.350 0.004 0.000 0.193 713 E C 1.988 178.559 176.600 -0.050 0.000 0.988 713 E CA 1.130 57.462 56.400 -0.113 0.000 0.804 713 E CB -0.273 29.416 29.700 -0.018 0.000 0.745 713 E HN 0.679 nan 8.360 nan 0.000 0.458 714 N N 0.289 118.975 118.700 -0.023 0.000 2.166 714 N HA -0.156 4.586 4.740 0.004 0.000 0.186 714 N C 2.072 177.567 175.510 -0.025 0.000 1.019 714 N CA 0.836 53.877 53.050 -0.014 0.000 0.856 714 N CB -0.001 38.480 38.487 -0.009 0.000 0.993 714 N HN 0.231 nan 8.380 nan 0.000 0.426 715 L N 0.564 121.767 121.223 -0.032 0.000 2.072 715 L HA -0.064 4.278 4.340 0.004 0.000 0.205 715 L C 2.537 179.389 176.870 -0.030 0.000 1.079 715 L CA 1.043 55.869 54.840 -0.024 0.000 0.752 715 L CB -0.314 41.746 42.059 0.002 0.000 0.906 715 L HN 0.131 nan 8.230 nan 0.000 0.436 716 A N 0.737 123.523 122.820 -0.058 0.000 1.832 716 A HA -0.244 4.079 4.320 0.004 0.000 0.214 716 A C 2.016 179.575 177.584 -0.041 0.000 1.204 716 A CA 2.044 54.044 52.037 -0.062 0.000 0.606 716 A CB -0.840 18.097 19.000 -0.104 0.000 0.849 716 A HN 0.522 nan 8.150 nan 0.000 0.445 717 N N -1.586 117.090 118.700 -0.040 0.000 2.250 717 N HA -0.103 4.639 4.740 0.004 0.000 0.181 717 N C 1.475 176.979 175.510 -0.009 0.000 1.017 717 N CA 1.801 54.837 53.050 -0.022 0.000 0.866 717 N CB -0.083 38.393 38.487 -0.019 0.000 0.985 717 N HN 0.300 nan 8.380 nan 0.000 0.429 718 K N -0.530 119.867 120.400 -0.006 0.000 2.287 718 K HA 0.388 4.710 4.320 0.004 0.000 0.199 718 K C 1.518 178.123 176.600 0.008 0.000 1.061 718 K CA 0.462 56.751 56.287 0.004 0.000 0.976 718 K CB 0.234 32.738 32.500 0.007 0.000 0.898 718 K HN 0.164 nan 8.250 nan 0.000 0.492 719 I N 0.778 121.350 120.570 0.003 0.000 3.228 719 I HA -0.048 4.124 4.170 0.004 0.000 0.279 719 I C -0.051 176.077 176.117 0.019 0.000 1.221 719 I CA 0.220 61.526 61.300 0.011 0.000 1.458 719 I CB 0.091 38.088 38.000 -0.005 0.000 1.105 719 I HN 0.043 nan 8.210 nan 0.000 0.445 720 K N 0.898 121.302 120.400 0.006 0.000 2.975 720 K HA -0.218 4.104 4.320 0.004 0.000 0.257 720 K C 0.379 176.983 176.600 0.006 0.000 1.005 720 K CA 0.314 56.602 56.287 0.002 0.000 0.738 720 K CB -1.867 30.634 32.500 0.002 0.000 1.236 720 K HN 0.415 nan 8.250 nan 0.000 0.483 721 A N 0.687 123.518 122.820 0.019 0.000 2.280 721 A HA 0.488 4.810 4.320 0.004 0.000 0.268 721 A C 0.432 178.030 177.584 0.024 0.000 1.111 721 A CA -0.475 51.582 52.037 0.034 0.000 0.814 721 A CB 0.399 19.434 19.000 0.059 0.000 1.093 721 A HN 0.295 nan 8.150 nan 0.000 0.498 722 L N 1.060 122.303 121.223 0.033 0.000 2.281 722 L HA 0.361 4.704 4.340 0.004 0.000 0.285 722 L C -0.391 176.512 176.870 0.056 0.000 1.074 722 L CA 0.033 54.891 54.840 0.030 0.000 0.817 722 L CB 0.859 42.929 42.059 0.019 0.000 1.168 722 L HN 0.655 nan 8.230 nan 0.000 0.434 723 T N 4.665 119.256 114.554 0.063 0.000 2.906 723 T HA 0.439 4.791 4.350 0.004 0.000 0.302 723 T C -0.122 174.653 174.700 0.124 0.000 1.002 723 T CA -0.480 61.682 62.100 0.103 0.000 0.988 723 T CB 1.134 70.075 68.868 0.122 0.000 0.972 723 T HN 0.294 nan 8.240 nan 0.000 0.447 724 L N 3.540 124.832 121.223 0.115 0.000 2.290 724 L HA 0.514 4.856 4.340 0.004 0.000 0.284 724 L C -0.575 176.398 176.870 0.171 0.000 1.078 724 L CA -0.591 54.333 54.840 0.140 0.000 0.815 724 L CB 0.558 42.674 42.059 0.095 0.000 1.162 724 L HN 0.622 nan 8.230 nan 0.000 0.435 725 F N 3.581 123.556 119.950 0.043 0.000 2.550 725 F HA 0.508 5.036 4.527 0.003 0.000 0.348 725 F C 0.507 176.329 175.800 0.036 0.000 1.219 725 F CA -0.736 57.281 58.000 0.027 0.000 1.203 725 F CB 0.662 39.662 39.000 -0.000 0.000 1.436 725 F HN 0.473 nan 8.300 nan 0.000 0.541 726 A N 2.460 125.302 122.820 0.036 0.000 2.425 726 A HA 0.657 4.979 4.320 0.004 0.000 0.249 726 A C 0.004 177.603 177.584 0.024 0.000 1.084 726 A CA 0.324 52.399 52.037 0.063 0.000 0.781 726 A CB 0.188 19.198 19.000 0.017 0.000 1.019 726 A HN 0.571 nan 8.150 nan 0.000 0.490 727 T N 0.820 115.440 114.554 0.111 0.000 2.894 727 T HA 0.436 4.788 4.350 0.004 0.000 0.309 727 T C 0.034 174.812 174.700 0.130 0.000 1.208 727 T CA -0.397 61.761 62.100 0.097 0.000 1.016 727 T CB 1.256 70.303 68.868 0.298 0.000 1.192 727 T HN 0.641 nan 8.240 nan 0.000 0.491 728 H N -0.224 118.783 119.070 -0.104 0.000 2.595 728 H HA 0.232 4.790 4.556 0.004 0.000 0.265 728 H C -0.143 175.188 175.328 0.006 0.000 0.953 728 H CA -0.378 55.630 56.048 -0.067 0.000 1.197 728 H CB 0.002 29.692 29.762 -0.121 0.000 1.438 728 H HN 0.459 nan 8.280 nan 0.000 0.531 729 Y N 0.757 121.230 120.300 0.289 0.000 2.783 729 Y HA -0.083 4.469 4.550 0.003 0.000 0.359 729 Y C 1.298 177.350 175.900 0.253 0.000 1.220 729 Y CA -0.372 57.886 58.100 0.263 0.000 1.649 729 Y CB -1.015 37.596 38.460 0.252 0.000 1.273 729 Y HN 0.063 nan 8.280 nan 0.000 0.506 730 F N 1.636 121.741 119.950 0.257 0.000 2.250 730 F HA -0.232 4.297 4.527 0.004 0.000 0.301 730 F C 1.672 177.577 175.800 0.175 0.000 1.077 730 F CA 1.533 59.629 58.000 0.159 0.000 1.348 730 F CB 0.118 39.170 39.000 0.086 0.000 1.040 730 F HN 0.461 nan 8.300 nan 0.000 0.509 731 E N 0.095 120.519 120.200 0.373 0.000 2.204 731 E HA -0.191 4.161 4.350 0.004 0.000 0.195 731 E C 2.011 178.784 176.600 0.289 0.000 0.990 731 E CA 1.216 57.806 56.400 0.317 0.000 0.821 731 E CB -0.336 29.556 29.700 0.319 0.000 0.750 731 E HN 0.449 nan 8.360 nan 0.000 0.477 732 L N 0.769 122.109 121.223 0.196 0.000 2.552 732 L HA -0.024 4.319 4.340 0.004 0.000 0.227 732 L C 2.217 178.970 176.870 -0.196 0.000 1.146 732 L CA 1.112 55.934 54.840 -0.031 0.000 0.858 732 L CB -0.817 41.227 42.059 -0.025 0.000 0.969 732 L HN 0.280 nan 8.230 nan 0.000 0.451 733 T N -3.799 110.633 114.554 -0.203 0.000 3.007 733 T HA -0.226 4.127 4.350 0.004 0.000 0.270 733 T C 1.665 176.246 174.700 -0.198 0.000 1.107 733 T CA 0.767 62.693 62.100 -0.290 0.000 1.118 733 T CB -0.110 68.418 68.868 -0.568 0.000 0.889 733 T HN 0.195 nan 8.240 nan 0.000 0.506 734 Q N -0.128 119.614 119.800 -0.097 0.000 2.482 734 Q HA 0.351 4.694 4.340 0.004 0.000 0.209 734 Q C 1.755 177.709 176.000 -0.076 0.000 0.961 734 Q CA 0.138 55.942 55.803 0.002 0.000 0.945 734 Q CB -0.529 28.315 28.738 0.177 0.000 1.012 734 Q HN 0.577 nan 8.270 nan 0.000 0.515 735 L N 0.015 121.051 121.223 -0.312 0.000 2.005 735 L HA -0.096 4.246 4.340 0.004 0.000 0.207 735 L C -0.893 175.821 176.870 -0.260 0.000 1.072 735 L CA 1.061 55.611 54.840 -0.482 0.000 0.744 735 L CB -0.935 40.717 42.059 -0.678 0.000 0.895 735 L HN 0.225 nan 8.230 nan 0.000 0.433 736 P HA -0.261 nan 4.420 nan 0.000 0.215 736 P C 1.272 178.526 177.300 -0.076 0.000 1.163 736 P CA 1.509 64.535 63.100 -0.123 0.000 0.894 736 P CB 0.026 31.666 31.700 -0.099 0.000 0.791 737 E N -0.167 120.001 120.200 -0.053 0.000 2.172 737 E HA -0.288 4.064 4.350 0.004 0.000 0.213 737 E C 1.444 178.040 176.600 -0.007 0.000 1.051 737 E CA 1.895 58.285 56.400 -0.018 0.000 0.860 737 E CB -0.190 29.513 29.700 0.006 0.000 0.755 737 E HN 0.139 nan 8.360 nan 0.000 0.462 738 K N -1.323 119.072 120.400 -0.008 0.000 2.353 738 K HA 0.133 4.456 4.320 0.004 0.000 0.195 738 K C -0.052 176.543 176.600 -0.008 0.000 1.031 738 K CA 0.128 56.429 56.287 0.023 0.000 1.079 738 K CB 0.830 33.398 32.500 0.113 0.000 0.857 738 K HN 0.176 nan 8.250 nan 0.000 0.535 739 M N 1.158 120.725 119.600 -0.056 0.000 2.224 739 M HA 0.218 4.700 4.480 0.004 0.000 0.281 739 M C -0.393 175.867 176.300 -0.067 0.000 1.025 739 M CA -0.622 54.635 55.300 -0.072 0.000 0.954 739 M CB 2.094 34.610 32.600 -0.140 0.000 1.639 739 M HN -0.079 nan 8.290 nan 0.000 0.461 740 E N 0.890 121.063 120.200 -0.046 0.000 2.414 740 E HA 0.288 4.641 4.350 0.004 0.000 0.263 740 E C 1.063 177.634 176.600 -0.049 0.000 1.000 740 E CA 1.765 58.141 56.400 -0.039 0.000 0.914 740 E CB 0.723 30.407 29.700 -0.026 0.000 0.948 740 E HN 0.945 nan 8.360 nan 0.000 0.444 741 G N 2.861 111.634 108.800 -0.045 0.000 2.268 741 G HA2 -0.274 3.688 3.960 0.004 0.000 0.240 741 G HA3 -0.274 3.688 3.960 0.004 0.000 0.240 741 G C 0.149 175.014 174.900 -0.059 0.000 1.010 741 G CA 0.221 45.293 45.100 -0.046 0.000 0.618 741 G HN 0.490 nan 8.290 nan 0.000 0.516 742 V N 1.468 121.333 119.914 -0.083 0.000 2.465 742 V HA 0.766 4.889 4.120 0.004 0.000 0.279 742 V C 0.599 176.641 176.094 -0.088 0.000 1.045 742 V CA 0.126 62.361 62.300 -0.109 0.000 0.938 742 V CB 1.259 32.975 31.823 -0.178 0.000 0.986 742 V HN 1.319 nan 8.190 nan 0.000 0.467 743 A N 4.467 127.245 122.820 -0.070 0.000 2.401 743 A HA 0.713 5.035 4.320 0.004 0.000 0.310 743 A C -0.513 177.044 177.584 -0.045 0.000 1.075 743 A CA -0.864 51.144 52.037 -0.048 0.000 0.746 743 A CB 1.208 20.197 19.000 -0.019 0.000 1.277 743 A HN 0.697 nan 8.150 nan 0.000 0.425 744 N N 0.767 119.443 118.700 -0.040 0.000 2.434 744 N HA 0.477 5.219 4.740 0.004 0.000 0.272 744 N C -0.132 175.390 175.510 0.021 0.000 1.040 744 N CA 0.017 53.050 53.050 -0.027 0.000 0.956 744 N CB 1.763 40.217 38.487 -0.055 0.000 1.108 744 N HN 0.727 nan 8.380 nan 0.000 0.481 745 V N -0.213 119.725 119.914 0.041 0.000 3.181 745 V HA 0.732 4.854 4.120 0.004 0.000 0.314 745 V C -0.443 175.715 176.094 0.107 0.000 1.173 745 V CA -0.657 61.670 62.300 0.044 0.000 1.052 745 V CB 2.475 34.295 31.823 -0.006 0.000 1.123 745 V HN 0.890 nan 8.190 nan 0.000 0.454 746 H N 0.479 119.521 119.070 -0.047 0.000 3.094 746 H HA 0.501 5.059 4.556 0.004 0.000 0.335 746 H C -2.580 172.730 175.328 -0.030 0.000 1.254 746 H CA -0.959 55.082 56.048 -0.013 0.000 1.240 746 H CB 1.670 31.443 29.762 0.018 0.000 1.936 746 H HN 0.670 nan 8.280 nan 0.000 0.536 747 L N 3.050 124.344 121.223 0.118 0.000 2.265 747 L HA 0.189 4.531 4.340 0.004 0.000 0.289 747 L C 0.517 177.481 176.870 0.157 0.000 1.033 747 L CA -0.349 54.506 54.840 0.025 0.000 0.814 747 L CB 1.039 43.131 42.059 0.054 0.000 1.203 747 L HN 0.553 nan 8.230 nan 0.000 0.423 748 D N 2.592 122.995 120.400 0.004 0.000 2.458 748 D HA 0.339 4.981 4.640 0.004 0.000 0.243 748 D C -0.315 175.981 176.300 -0.007 0.000 1.146 748 D CA 0.382 54.429 54.000 0.079 0.000 0.877 748 D CB 1.349 42.136 40.800 -0.020 0.000 1.176 748 D HN 0.599 nan 8.370 nan 0.000 0.461 749 A N 3.513 126.313 122.820 -0.033 0.000 2.387 749 A HA 0.794 5.117 4.320 0.004 0.000 0.303 749 A C -1.044 176.334 177.584 -0.343 0.000 1.145 749 A CA -0.626 51.197 52.037 -0.358 0.000 0.801 749 A CB 1.455 19.999 19.000 -0.760 0.000 1.342 749 A HN 0.561 nan 8.150 nan 0.000 0.440 750 L N 0.595 121.512 121.223 -0.510 0.000 2.541 750 L HA 0.346 4.688 4.340 0.004 0.000 0.266 750 L C -0.518 176.034 176.870 -0.530 0.000 0.966 750 L CA 0.010 54.598 54.840 -0.420 0.000 0.871 750 L CB 2.046 43.873 42.059 -0.387 0.000 1.232 750 L HN 0.914 nan 8.230 nan 0.000 0.408 751 E N 2.784 122.803 120.200 -0.300 0.000 2.464 751 E HA 0.101 4.454 4.350 0.004 0.000 0.260 751 E C -0.163 176.436 176.600 -0.002 0.000 1.318 751 E CA -0.528 55.779 56.400 -0.156 0.000 1.571 751 E CB 0.062 29.733 29.700 -0.049 0.000 1.525 751 E HN 0.481 nan 8.360 nan 0.000 0.449 752 H N -0.910 118.106 119.070 -0.089 0.000 2.385 752 H HA 0.094 4.652 4.556 0.004 0.000 0.377 752 H C 1.471 176.765 175.328 -0.057 0.000 1.985 752 H CA 0.093 56.104 56.048 -0.061 0.000 1.423 752 H CB -0.702 29.024 29.762 -0.061 0.000 1.590 752 H HN 0.218 nan 8.280 nan 0.000 0.547 753 G N -0.645 108.180 108.800 0.042 0.000 3.933 753 G HA2 -0.421 3.541 3.960 0.004 0.000 0.298 753 G HA3 -0.421 3.541 3.960 0.004 0.000 0.298 753 G C 0.964 175.868 174.900 0.008 0.000 0.858 753 G CA 1.595 46.678 45.100 -0.028 0.000 0.716 753 G HN 0.808 nan 8.290 nan 0.000 1.428 754 D N -1.632 118.753 120.400 -0.026 0.000 2.423 754 D HA 0.151 4.794 4.640 0.004 0.000 0.208 754 D C 1.296 177.597 176.300 0.002 0.000 1.068 754 D CA 0.734 54.728 54.000 -0.010 0.000 0.860 754 D CB 0.366 41.152 40.800 -0.024 0.000 0.992 754 D HN 0.303 nan 8.370 nan 0.000 0.504 755 T N -0.247 114.312 114.554 0.009 0.000 2.884 755 T HA 0.565 4.917 4.350 0.004 0.000 0.277 755 T C -0.250 174.499 174.700 0.082 0.000 0.976 755 T CA -0.558 61.564 62.100 0.037 0.000 0.956 755 T CB 1.195 70.073 68.868 0.016 0.000 1.113 755 T HN -0.060 nan 8.240 nan 0.000 0.554 756 I N 0.883 121.431 120.570 -0.037 0.000 2.689 756 I HA 0.708 4.880 4.170 0.004 0.000 0.299 756 I C -1.111 174.741 176.117 -0.442 0.000 1.059 756 I CA -1.027 60.077 61.300 -0.327 0.000 1.055 756 I CB 1.877 39.556 38.000 -0.535 0.000 1.243 756 I HN 0.747 nan 8.210 nan 0.000 0.425 757 A N 6.275 128.694 122.820 -0.670 0.000 2.319 757 A HA 0.644 4.966 4.320 0.004 0.000 0.310 757 A C -1.466 175.735 177.584 -0.638 0.000 1.152 757 A CA -0.311 51.410 52.037 -0.526 0.000 0.783 757 A CB 0.396 19.095 19.000 -0.502 0.000 1.184 757 A HN 0.519 nan 8.150 nan 0.000 0.474 758 F N 3.560 123.341 119.950 -0.283 0.000 2.334 758 F HA 0.234 4.763 4.527 0.004 0.000 0.365 758 F C 1.297 176.736 175.800 -0.602 0.000 1.124 758 F CA -0.648 57.084 58.000 -0.446 0.000 1.166 758 F CB 1.241 39.968 39.000 -0.455 0.000 1.355 758 F HN 0.516 nan 8.300 nan 0.000 0.532 759 M N 0.907 120.322 119.600 -0.308 0.000 2.492 759 M HA -0.028 4.454 4.480 0.004 0.000 0.262 759 M C 0.740 176.960 176.300 -0.134 0.000 1.090 759 M CA 0.711 55.893 55.300 -0.197 0.000 1.110 759 M CB -1.439 31.082 32.600 -0.131 0.000 1.407 759 M HN 0.688 nan 8.290 nan 0.000 0.470 760 H N -1.150 117.910 119.070 -0.016 0.000 2.861 760 H HA -0.122 4.436 4.556 0.004 0.000 0.289 760 H C 0.047 175.321 175.328 -0.090 0.000 1.176 760 H CA 0.558 56.567 56.048 -0.066 0.000 1.146 760 H CB -1.834 27.840 29.762 -0.146 0.000 1.330 760 H HN 0.213 nan 8.280 nan 0.000 0.379 761 S N 0.501 116.181 115.700 -0.034 0.000 2.433 761 S HA 0.461 4.933 4.470 0.004 0.000 0.310 761 S C 0.185 174.688 174.600 -0.162 0.000 1.097 761 S CA -0.800 57.356 58.200 -0.073 0.000 1.103 761 S CB 0.923 64.079 63.200 -0.074 0.000 0.992 761 S HN 0.235 nan 8.310 nan 0.000 0.469 762 V N 6.668 126.466 119.914 -0.194 0.000 2.432 762 V HA 0.368 4.491 4.120 0.004 0.000 0.271 762 V C 0.058 175.988 176.094 -0.275 0.000 1.046 762 V CA -0.388 61.718 62.300 -0.324 0.000 0.945 762 V CB 1.135 32.650 31.823 -0.512 0.000 0.992 762 V HN 0.752 nan 8.190 nan 0.000 0.471 763 Q N 2.203 121.757 119.800 -0.410 0.000 2.306 763 Q HA 0.507 4.849 4.340 0.004 0.000 0.269 763 Q C -1.071 174.809 176.000 -0.199 0.000 1.053 763 Q CA -0.944 54.670 55.803 -0.314 0.000 0.879 763 Q CB 1.958 30.462 28.738 -0.389 0.000 1.344 763 Q HN 0.563 nan 8.270 nan 0.000 0.464 764 D N -0.149 120.216 120.400 -0.059 0.000 2.255 764 D HA 0.606 5.248 4.640 0.004 0.000 0.249 764 D C 0.288 176.644 176.300 0.092 0.000 1.078 764 D CA 0.872 54.878 54.000 0.011 0.000 0.896 764 D CB 1.178 41.984 40.800 0.011 0.000 1.194 764 D HN 0.687 nan 8.370 nan 0.000 0.429 765 G N 0.282 109.142 108.800 0.101 0.000 2.479 765 G HA2 0.377 4.340 3.960 0.004 0.000 0.686 765 G HA3 0.377 4.340 3.960 0.004 0.000 0.686 765 G C -0.623 174.345 174.900 0.113 0.000 1.295 765 G CA -0.423 44.736 45.100 0.100 0.000 0.922 765 G HN 0.610 nan 8.290 nan 0.000 0.582 766 A N -0.074 122.743 122.820 -0.006 0.000 2.351 766 A HA 0.921 5.243 4.320 0.004 0.000 0.257 766 A C 1.214 178.676 177.584 -0.203 0.000 1.087 766 A CA 1.147 53.119 52.037 -0.108 0.000 0.798 766 A CB 0.349 19.216 19.000 -0.221 0.000 1.033 766 A HN 2.608 nan 8.150 nan 0.000 0.488 767 A N 1.083 123.726 122.820 -0.295 0.000 2.466 767 A HA 0.382 4.704 4.320 0.004 0.000 0.238 767 A C 1.454 178.956 177.584 -0.137 0.000 1.074 767 A CA 0.493 52.240 52.037 -0.483 0.000 0.774 767 A CB -0.122 18.766 19.000 -0.186 0.000 1.015 767 A HN 1.007 nan 8.150 nan 0.000 0.498 768 S N 0.073 115.660 115.700 -0.188 0.000 2.399 768 S HA -0.032 4.440 4.470 0.004 0.000 0.231 768 S C 0.723 175.257 174.600 -0.109 0.000 1.022 768 S CA 1.736 59.888 58.200 -0.080 0.000 0.983 768 S CB -0.386 62.772 63.200 -0.069 0.000 0.803 768 S HN 0.823 nan 8.310 nan 0.000 0.480 769 K N -0.096 120.151 120.400 -0.256 0.000 2.597 769 K HA 0.368 4.690 4.320 0.004 0.000 0.282 769 K C -0.820 175.391 176.600 -0.648 0.000 0.975 769 K CA -0.829 55.148 56.287 -0.516 0.000 0.867 769 K CB 0.949 33.146 32.500 -0.506 0.000 1.465 769 K HN 0.050 nan 8.250 nan 0.000 0.417 770 S N 0.022 115.342 115.700 -0.634 0.000 2.608 770 S HA 0.238 4.710 4.470 0.004 0.000 0.261 770 S C -0.227 174.050 174.600 -0.539 0.000 1.314 770 S CA -0.177 57.757 58.200 -0.442 0.000 0.992 770 S CB -0.032 63.028 63.200 -0.234 0.000 0.935 770 S HN 0.626 nan 8.310 nan 0.000 0.564 771 Y N -0.561 119.674 120.300 -0.108 0.000 2.742 771 Y HA 0.390 4.942 4.550 0.004 0.000 0.248 771 Y C 1.676 177.530 175.900 -0.076 0.000 1.132 771 Y CA -0.614 57.432 58.100 -0.090 0.000 1.142 771 Y CB 0.084 38.500 38.460 -0.073 0.000 1.222 771 Y HN 0.837 nan 8.280 nan 0.000 0.575 772 G N 0.103 108.919 108.800 0.025 0.000 2.394 772 G HA2 -0.128 3.834 3.960 0.004 0.000 0.215 772 G HA3 -0.128 3.834 3.960 0.004 0.000 0.215 772 G C 1.604 176.520 174.900 0.026 0.000 1.165 772 G CA 0.540 45.642 45.100 0.003 0.000 0.784 772 G HN 0.316 nan 8.290 nan 0.000 0.535 773 L N 0.758 121.992 121.223 0.018 0.000 2.012 773 L HA -0.149 4.193 4.340 0.004 0.000 0.210 773 L C 3.430 180.320 176.870 0.034 0.000 1.073 773 L CA 1.376 56.227 54.840 0.019 0.000 0.748 773 L CB -0.679 41.383 42.059 0.005 0.000 0.891 773 L HN 0.335 nan 8.230 nan 0.000 0.431 774 A N -0.245 122.608 122.820 0.054 0.000 1.908 774 A HA -0.160 4.162 4.320 0.004 0.000 0.218 774 A C 2.335 179.943 177.584 0.040 0.000 1.181 774 A CA 1.885 53.946 52.037 0.040 0.000 0.627 774 A CB -0.823 18.199 19.000 0.035 0.000 0.818 774 A HN 0.223 nan 8.150 nan 0.000 0.445 775 V N -0.255 119.701 119.914 0.070 0.000 2.358 775 V HA -0.227 3.895 4.120 0.004 0.000 0.246 775 V C 3.046 179.183 176.094 0.072 0.000 1.047 775 V CA 1.854 64.215 62.300 0.102 0.000 1.035 775 V CB -1.184 30.714 31.823 0.125 0.000 0.658 775 V HN 0.629 nan 8.190 nan 0.000 0.452 776 A N 0.103 122.954 122.820 0.053 0.000 1.902 776 A HA -0.145 4.177 4.320 0.004 0.000 0.217 776 A C 2.433 180.037 177.584 0.033 0.000 1.181 776 A CA 2.122 54.182 52.037 0.039 0.000 0.623 776 A CB -0.815 18.202 19.000 0.029 0.000 0.818 776 A HN 0.574 nan 8.150 nan 0.000 0.443 777 A N -0.709 122.129 122.820 0.030 0.000 1.933 777 A HA -0.044 4.278 4.320 0.004 0.000 0.218 777 A C 2.090 179.690 177.584 0.027 0.000 1.175 777 A CA 1.735 53.786 52.037 0.023 0.000 0.628 777 A CB -0.550 18.460 19.000 0.017 0.000 0.814 777 A HN 0.633 nan 8.150 nan 0.000 0.444 778 L N -0.366 120.880 121.223 0.039 0.000 2.083 778 L HA 0.011 4.353 4.340 0.004 0.000 0.209 778 L C 2.364 179.261 176.870 0.044 0.000 1.083 778 L CA 2.038 56.907 54.840 0.049 0.000 0.752 778 L CB -0.661 41.448 42.059 0.082 0.000 0.899 778 L HN 0.314 nan 8.230 nan 0.000 0.433 779 A N -1.263 121.582 122.820 0.042 0.000 2.259 779 A HA 0.436 4.758 4.320 0.004 0.000 0.208 779 A C 1.566 179.165 177.584 0.025 0.000 1.201 779 A CA 0.538 52.595 52.037 0.034 0.000 0.824 779 A CB -1.040 17.981 19.000 0.035 0.000 0.838 779 A HN 0.830 nan 8.150 nan 0.000 0.485 780 G N -1.249 107.564 108.800 0.022 0.000 2.137 780 G HA2 -0.192 3.771 3.960 0.004 0.000 0.237 780 G HA3 -0.192 3.771 3.960 0.004 0.000 0.237 780 G C 0.151 175.060 174.900 0.014 0.000 1.002 780 G CA 0.040 45.149 45.100 0.016 0.000 0.702 780 G HN 0.743 nan 8.290 nan 0.000 0.515 781 V N 2.886 122.809 119.914 0.016 0.000 2.493 781 V HA 0.243 4.365 4.120 0.004 0.000 0.292 781 V C -0.755 175.345 176.094 0.010 0.000 1.016 781 V CA -0.601 61.707 62.300 0.013 0.000 1.097 781 V CB 0.649 32.481 31.823 0.015 0.000 0.947 781 V HN 0.340 nan 8.190 nan 0.000 0.479 782 P HA 0.018 nan 4.420 nan 0.000 0.263 782 P C 0.798 178.101 177.300 0.005 0.000 1.175 782 P CA -0.059 63.044 63.100 0.006 0.000 0.761 782 P CB 0.559 32.261 31.700 0.005 0.000 0.794 783 K N 2.603 123.005 120.400 0.003 0.000 2.052 783 K HA -0.253 4.069 4.320 0.004 0.000 0.215 783 K C 1.681 178.282 176.600 0.001 0.000 1.053 783 K CA 2.089 58.377 56.287 0.002 0.000 0.934 783 K CB -0.565 31.936 32.500 0.000 0.000 0.717 783 K HN 0.500 nan 8.250 nan 0.000 0.450 784 E N 1.066 121.266 120.200 0.001 0.000 2.219 784 E HA -0.133 4.219 4.350 0.004 0.000 0.198 784 E C 1.787 178.387 176.600 0.001 0.000 0.998 784 E CA 0.916 57.316 56.400 0.000 0.000 0.818 784 E CB -0.040 29.660 29.700 0.000 0.000 0.741 784 E HN 0.081 nan 8.360 nan 0.000 0.477 785 V N 0.104 120.019 119.914 0.002 0.000 2.426 785 V HA -0.122 4.001 4.120 0.004 0.000 0.242 785 V C 2.120 178.215 176.094 0.002 0.000 1.036 785 V CA 0.954 63.255 62.300 0.002 0.000 1.044 785 V CB -0.281 31.544 31.823 0.004 0.000 0.688 785 V HN 0.291 nan 8.190 nan 0.000 0.462 786 I N 0.657 121.229 120.570 0.003 0.000 2.236 786 I HA -0.316 3.857 4.170 0.004 0.000 0.249 786 I C 2.380 178.496 176.117 -0.000 0.000 1.102 786 I CA 1.858 63.160 61.300 0.003 0.000 1.365 786 I CB -1.232 36.771 38.000 0.005 0.000 1.051 786 I HN 0.393 nan 8.210 nan 0.000 0.420 787 K N 0.780 121.180 120.400 -0.001 0.000 2.026 787 K HA -0.241 4.081 4.320 0.004 0.000 0.208 787 K C 2.340 178.938 176.600 -0.004 0.000 1.048 787 K CA 1.671 57.957 56.287 -0.003 0.000 0.929 787 K CB 0.008 32.507 32.500 -0.002 0.000 0.713 787 K HN 0.026 nan 8.250 nan 0.000 0.439 788 R N 0.380 120.878 120.500 -0.003 0.000 2.073 788 R HA 0.036 4.378 4.340 0.004 0.000 0.229 788 R C 1.968 178.265 176.300 -0.005 0.000 1.120 788 R CA 1.488 57.586 56.100 -0.003 0.000 0.967 788 R CB -0.564 29.735 30.300 -0.002 0.000 0.862 788 R HN 0.279 nan 8.270 nan 0.000 0.436 789 A N 0.680 123.498 122.820 -0.004 0.000 1.903 789 A HA -0.248 4.074 4.320 0.004 0.000 0.219 789 A C 2.242 179.820 177.584 -0.011 0.000 1.191 789 A CA 1.971 54.004 52.037 -0.006 0.000 0.638 789 A CB -0.616 18.382 19.000 -0.003 0.000 0.823 789 A HN 0.380 nan 8.150 nan 0.000 0.451 790 R N -0.953 119.540 120.500 -0.011 0.000 2.127 790 R HA -0.162 4.180 4.340 0.004 0.000 0.238 790 R C 2.491 178.781 176.300 -0.016 0.000 1.134 790 R CA 1.825 57.916 56.100 -0.016 0.000 0.975 790 R CB -0.268 30.025 30.300 -0.012 0.000 0.865 790 R HN 0.750 nan 8.270 nan 0.000 0.447 791 Q N -0.332 119.461 119.800 -0.012 0.000 2.020 791 Q HA -0.205 4.137 4.340 0.004 0.000 0.202 791 Q C 1.937 177.931 176.000 -0.011 0.000 0.982 791 Q CA 1.758 57.554 55.803 -0.011 0.000 0.838 791 Q CB 0.006 28.740 28.738 -0.007 0.000 0.899 791 Q HN 0.004 nan 8.270 nan 0.000 0.423 792 K N 0.302 120.696 120.400 -0.010 0.000 2.097 792 K HA -0.154 4.168 4.320 0.004 0.000 0.205 792 K C 1.767 178.359 176.600 -0.013 0.000 1.050 792 K CA 0.633 56.915 56.287 -0.009 0.000 0.938 792 K CB -0.311 32.185 32.500 -0.006 0.000 0.718 792 K HN 0.088 nan 8.250 nan 0.000 0.442 793 L N 0.895 122.106 121.223 -0.020 0.000 1.989 793 L HA -0.135 4.207 4.340 0.004 0.000 0.211 793 L C 2.091 178.941 176.870 -0.033 0.000 1.071 793 L CA 1.794 56.614 54.840 -0.032 0.000 0.749 793 L CB -0.587 41.445 42.059 -0.044 0.000 0.890 793 L HN 0.067 nan 8.230 nan 0.000 0.431 794 R N -0.103 120.379 120.500 -0.030 0.000 2.117 794 R HA -0.198 4.144 4.340 0.004 0.000 0.243 794 R C 2.200 178.488 176.300 -0.019 0.000 1.143 794 R CA 1.860 57.943 56.100 -0.027 0.000 0.968 794 R CB -0.319 29.968 30.300 -0.022 0.000 0.863 794 R HN 0.549 nan 8.270 nan 0.000 0.444 795 E N -0.308 119.884 120.200 -0.014 0.000 2.058 795 E HA -0.198 4.154 4.350 0.004 0.000 0.194 795 E C 1.834 178.431 176.600 -0.005 0.000 0.997 795 E CA 1.463 57.858 56.400 -0.007 0.000 0.801 795 E CB -0.123 29.574 29.700 -0.004 0.000 0.746 795 E HN 0.298 nan 8.360 nan 0.000 0.450 796 L N 0.916 122.136 121.223 -0.005 0.000 2.156 796 L HA -0.118 4.224 4.340 0.004 0.000 0.208 796 L C 1.956 178.825 176.870 -0.002 0.000 1.095 796 L CA 0.810 55.652 54.840 0.004 0.000 0.770 796 L CB -0.256 41.807 42.059 0.007 0.000 0.914 796 L HN 0.085 nan 8.230 nan 0.000 0.439 797 E N -0.177 120.011 120.200 -0.020 0.000 2.511 797 E HA -0.082 4.270 4.350 0.004 0.000 0.196 797 E C 1.947 178.537 176.600 -0.017 0.000 1.066 797 E CA 1.048 57.430 56.400 -0.029 0.000 0.871 797 E CB 0.092 29.760 29.700 -0.054 0.000 0.863 797 E HN 0.544 nan 8.360 nan 0.000 0.520 798 S N -0.019 115.675 115.700 -0.010 0.000 2.502 798 S HA 0.065 4.537 4.470 0.004 0.000 0.215 798 S C 1.960 176.559 174.600 -0.001 0.000 1.009 798 S CA -0.289 57.908 58.200 -0.006 0.000 0.908 798 S CB -0.224 62.971 63.200 -0.007 0.000 0.801 798 S HN 0.078 nan 8.310 nan 0.000 0.505 799 I N 1.781 122.353 120.570 0.004 0.000 2.087 799 I HA -0.152 4.020 4.170 0.004 0.000 0.240 799 I C 1.898 178.018 176.117 0.005 0.000 1.054 799 I CA 1.193 62.497 61.300 0.006 0.000 1.311 799 I CB -0.429 37.580 38.000 0.015 0.000 1.024 799 I HN 0.290 nan 8.210 nan 0.000 0.402 800 S N 0.000 115.706 115.700 0.009 0.000 2.498 800 S HA 0.000 4.472 4.470 0.004 0.000 0.327 800 S CA 0.000 58.207 58.200 0.011 0.000 1.107 800 S CB 0.000 63.214 63.200 0.024 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517