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 3fn9_1_A DATA FIRST_RESID 22 DATA SEQUENCE LARQVTAFNT GWQFKKGPFA TDPMRAASQW DGKWETVEIP HTWNAMDMQV DATA SEQUENCE QSGSFYEGAG YYRKTQFFPH DLEGKRVFLR FEGVGACAEV YVNGKLAGTH DATA SEQUENCE KGGYSAFACE IGTALKLGAE NEIIVKADNK ARPDVIPVNQ NLFGVYGGIY DATA SEQUENCE RPVWLIVTEQ NNITVTDCAS PGVYITQKDV SKKSADITVK VKLDNAGLQP DATA SEQUENCE AAVTLENTIY TQEGQKVGTH SRSFDLSPQG TQTYLSTFKL KNPHLWQGRK DATA SEQUENCE DPYLYKVVCR LMADGKVIDE VVQPLGVRKY EIVAGKGFFL NGEKYSMYGV DATA SEQUENCE TRHQDWWGLG SALKNEHHDF DLAAIMDVGA TTVRFAHYQQ SDYLYSRCDT DATA SEQUENCE LGLIIWAEIP CVNRVTGYET ENAQSQLREL IRQSFNHPSI YVWGLHNEVY DATA SEQUENCE QPHEYTAALT RSLHDLAKTE DPDRYTVSVN GYGHMDHPVN LNADIQGMNR DATA SEQUENCE YFGWYEKKIQ DIKPWVEQLE KDYPYQKLML TEYGADANLA HQTEYLGDAL DATA SEQUENCE NWGKPFYPET FQTKTHEYQW SIIKDHPYII ASYLWNMFDF AVPMWTRGGV DATA SEQUENCE PARNMKGLIT FDRKTKKDSY FWYKANWSEE PVLYLTQRRN ADREKRTTAV DATA SEQUENCE TVYSNIGTPK VYLNGQELSG IRNGYTDVHY VFDNVSLADG KNILKAVVST DATA SEQUENCE KGKEYTDEIE WNYSGEKNRE ID 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 22 L HA 0.000 nan 4.340 nan 0.000 0.249 22 L C 0.000 176.870 176.870 -0.000 0.000 1.165 22 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 22 L CB 0.000 42.053 42.059 -0.009 0.000 0.961 23 A N 3.611 126.430 122.820 -0.001 0.000 2.021 23 A HA 0.175 4.495 4.320 -0.000 0.000 0.216 23 A C 1.164 178.754 177.584 0.010 0.000 1.163 23 A CA 0.519 52.560 52.037 0.006 0.000 0.676 23 A CB 0.003 19.005 19.000 0.004 0.000 0.818 23 A HN 0.555 nan 8.150 nan 0.000 0.453 24 R N 1.169 121.670 120.500 0.001 0.000 2.229 24 R HA 0.322 4.662 4.340 -0.000 0.000 0.328 24 R C -1.001 175.305 176.300 0.010 0.000 1.009 24 R CA -0.267 55.835 56.100 0.003 0.000 0.864 24 R CB 0.364 30.650 30.300 -0.023 0.000 1.085 24 R HN 0.446 nan 8.270 nan 0.000 0.453 25 Q N 2.987 122.808 119.800 0.036 0.000 2.274 25 Q HA 0.341 4.681 4.340 -0.000 0.000 0.256 25 Q C -1.054 174.985 176.000 0.065 0.000 0.927 25 Q CA -0.626 55.209 55.803 0.053 0.000 0.939 25 Q CB 2.384 31.165 28.738 0.072 0.000 1.201 25 Q HN 0.330 nan 8.270 nan 0.000 0.426 26 V N 2.624 122.579 119.914 0.068 0.000 2.482 26 V HA 0.494 4.614 4.120 -0.000 0.000 0.295 26 V C -0.306 175.924 176.094 0.228 0.000 1.026 26 V CA -0.579 61.778 62.300 0.096 0.000 0.856 26 V CB 1.824 33.613 31.823 -0.056 0.000 1.001 26 V HN 0.939 nan 8.190 nan 0.000 0.424 27 T N 1.874 116.637 114.554 0.348 0.000 2.916 27 T HA 0.830 5.180 4.350 -0.000 0.000 0.305 27 T C -0.104 174.804 174.700 0.347 0.000 1.119 27 T CA -0.212 62.102 62.100 0.357 0.000 1.008 27 T CB 1.939 70.927 68.868 0.200 0.000 1.129 27 T HN 1.139 nan 8.240 nan 0.000 0.480 28 A N 1.581 124.460 122.820 0.098 0.000 2.531 28 A HA 0.526 4.846 4.320 -0.000 0.000 0.236 28 A C -0.189 177.370 177.584 -0.042 0.000 1.062 28 A CA -0.246 51.587 52.037 -0.339 0.000 0.760 28 A CB -0.488 18.272 19.000 -0.399 0.000 0.995 28 A HN 1.001 nan 8.150 nan 0.000 0.501 29 F N 1.637 121.413 119.950 -0.290 0.000 2.790 29 F HA 0.279 4.806 4.527 -0.000 0.000 0.371 29 F C 0.706 176.558 175.800 0.086 0.000 1.293 29 F CA -0.612 57.337 58.000 -0.085 0.000 1.205 29 F CB 0.416 39.392 39.000 -0.041 0.000 1.047 29 F HN 0.628 nan 8.300 nan 0.000 0.510 30 N N -0.180 118.493 118.700 -0.045 0.000 2.353 30 N HA 0.067 4.807 4.740 -0.000 0.000 0.185 30 N C 0.452 176.040 175.510 0.130 0.000 1.098 30 N CA 0.365 53.421 53.050 0.010 0.000 0.872 30 N CB 0.487 38.882 38.487 -0.153 0.000 0.970 30 N HN 0.126 nan 8.380 nan 0.000 0.467 31 T N -1.045 113.501 114.554 -0.013 0.000 2.925 31 T HA 0.481 4.830 4.350 -0.000 0.000 0.285 31 T C 0.804 175.399 174.700 -0.175 0.000 1.021 31 T CA 0.050 62.116 62.100 -0.057 0.000 1.042 31 T CB 1.564 70.356 68.868 -0.127 0.000 1.037 31 T HN 0.311 nan 8.240 nan 0.000 0.481 32 G N 1.622 110.366 108.800 -0.094 0.000 2.176 32 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.252 32 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.252 32 G C -0.176 174.616 174.900 -0.181 0.000 1.024 32 G CA -0.200 44.800 45.100 -0.167 0.000 0.755 32 G HN 0.609 nan 8.290 nan 0.000 0.507 33 W N 0.068 121.356 121.300 -0.019 0.000 2.375 33 W HA 0.691 5.351 4.660 -0.000 0.000 0.336 33 W C 0.728 177.334 176.519 0.145 0.000 1.160 33 W CA -0.638 56.766 57.345 0.098 0.000 1.266 33 W CB 0.867 30.436 29.460 0.182 0.000 1.195 33 W HN 0.208 nan 8.180 nan 0.000 0.599 34 Q N 1.663 121.762 119.800 0.498 0.000 2.387 34 Q HA 0.572 4.911 4.340 -0.000 0.000 0.273 34 Q C -1.466 174.905 176.000 0.618 0.000 1.089 34 Q CA -1.112 54.962 55.803 0.452 0.000 0.824 34 Q CB 2.834 31.799 28.738 0.379 0.000 1.367 34 Q HN 0.389 nan 8.270 nan 0.000 0.443 35 F N 1.159 121.215 119.950 0.176 0.000 2.579 35 F HA 0.689 5.216 4.527 -0.000 0.000 0.324 35 F C -1.240 174.296 175.800 -0.440 0.000 1.058 35 F CA -0.864 57.013 58.000 -0.204 0.000 0.944 35 F CB 1.729 40.459 39.000 -0.451 0.000 1.245 35 F HN 0.297 nan 8.300 nan 0.000 0.477 36 K N 4.501 123.838 120.400 -1.770 0.000 2.761 36 K HA 0.239 4.558 4.320 -0.000 0.000 0.257 36 K C -1.441 174.263 176.600 -1.494 0.000 1.053 36 K CA -0.473 54.808 56.287 -1.678 0.000 1.035 36 K CB 0.905 31.965 32.500 -2.401 0.000 1.267 36 K HN 0.733 nan 8.250 nan 0.000 0.505 37 K N 1.672 121.179 120.400 -1.489 0.000 2.202 37 K HA 0.546 4.865 4.320 -0.000 0.000 0.264 37 K C 0.465 176.454 176.600 -1.018 0.000 1.010 37 K CA -0.101 55.522 56.287 -1.106 0.000 0.940 37 K CB 0.613 32.663 32.500 -0.750 0.000 0.983 37 K HN 0.698 nan 8.250 nan 0.000 0.475 38 G N 2.149 110.324 108.800 -1.043 0.000 2.516 38 G HA2 0.262 4.222 3.960 -0.000 0.000 0.276 38 G HA3 0.262 4.222 3.960 -0.000 0.000 0.276 38 G C -2.310 171.775 174.900 -1.359 0.000 1.390 38 G CA -1.016 43.195 45.100 -1.481 0.000 1.050 38 G HN 0.551 nan 8.290 nan 0.000 0.519 39 P HA 0.316 nan 4.420 nan 0.000 0.274 39 P C -1.261 175.601 177.300 -0.729 0.000 1.256 39 P CA -0.115 62.685 63.100 -0.500 0.000 0.795 39 P CB 0.688 32.281 31.700 -0.178 0.000 1.038 40 F N -0.886 119.057 119.950 -0.012 0.000 2.520 40 F HA 0.511 5.038 4.527 -0.000 0.000 0.322 40 F C 0.855 176.659 175.800 0.006 0.000 1.103 40 F CA -0.920 57.079 58.000 -0.001 0.000 0.926 40 F CB 1.193 40.229 39.000 0.060 0.000 1.154 40 F HN 0.305 nan 8.300 nan 0.000 0.453 41 A N 1.732 124.648 122.820 0.160 0.000 2.583 41 A HA 0.191 4.511 4.320 -0.000 0.000 0.231 41 A C 1.118 178.763 177.584 0.100 0.000 1.065 41 A CA 0.429 52.523 52.037 0.096 0.000 0.760 41 A CB -0.125 18.915 19.000 0.066 0.000 1.001 41 A HN 0.923 nan 8.150 nan 0.000 0.509 42 T N 0.612 115.203 114.554 0.062 0.000 2.937 42 T HA -0.019 4.331 4.350 -0.000 0.000 0.260 42 T C 0.678 175.396 174.700 0.031 0.000 1.051 42 T CA 1.295 63.423 62.100 0.047 0.000 1.141 42 T CB -0.317 68.571 68.868 0.034 0.000 0.879 42 T HN 0.868 nan 8.240 nan 0.000 0.459 43 D N 1.762 122.178 120.400 0.027 0.000 2.450 43 D HA 0.064 4.703 4.640 -0.000 0.000 0.247 43 D C -1.677 174.632 176.300 0.016 0.000 1.162 43 D CA -1.650 52.360 54.000 0.017 0.000 0.879 43 D CB 1.225 42.034 40.800 0.015 0.000 1.163 43 D HN -0.013 nan 8.370 nan 0.000 0.472 44 P HA -0.185 nan 4.420 nan 0.000 0.216 44 P C 1.589 178.891 177.300 0.003 0.000 1.150 44 P CA 0.979 64.073 63.100 -0.009 0.000 0.837 44 P CB -0.020 31.665 31.700 -0.024 0.000 0.786 45 M N -0.695 118.909 119.600 0.006 0.000 2.082 45 M HA -0.262 4.218 4.480 -0.000 0.000 0.258 45 M C 2.138 178.454 176.300 0.027 0.000 1.071 45 M CA 2.034 57.342 55.300 0.013 0.000 1.103 45 M CB -0.256 32.349 32.600 0.009 0.000 1.307 45 M HN -0.210 nan 8.290 nan 0.000 0.409 46 R N -0.263 120.254 120.500 0.029 0.000 2.115 46 R HA -0.079 4.261 4.340 -0.000 0.000 0.230 46 R C 2.254 178.597 176.300 0.072 0.000 1.111 46 R CA 1.302 57.426 56.100 0.040 0.000 0.976 46 R CB -0.458 29.860 30.300 0.029 0.000 0.870 46 R HN 0.548 nan 8.270 nan 0.000 0.445 47 A N 1.248 124.114 122.820 0.077 0.000 1.873 47 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 47 A C 2.387 180.052 177.584 0.134 0.000 1.186 47 A CA 1.530 53.638 52.037 0.119 0.000 0.616 47 A CB -0.712 18.328 19.000 0.067 0.000 0.823 47 A HN 0.370 nan 8.150 nan 0.000 0.442 48 A N -0.344 122.521 122.820 0.076 0.000 1.927 48 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 48 A C 2.461 180.147 177.584 0.170 0.000 1.185 48 A CA 2.427 54.524 52.037 0.101 0.000 0.639 48 A CB -1.010 18.013 19.000 0.038 0.000 0.820 48 A HN 0.469 nan 8.150 nan 0.000 0.451 49 S N -0.377 115.394 115.700 0.118 0.000 2.348 49 S HA -0.219 4.251 4.470 -0.000 0.000 0.221 49 S C 2.128 176.801 174.600 0.122 0.000 1.033 49 S CA 1.570 59.831 58.200 0.102 0.000 1.010 49 S CB -0.440 62.795 63.200 0.058 0.000 0.891 49 S HN 0.733 nan 8.310 nan 0.000 0.442 50 Q N -0.112 119.767 119.800 0.132 0.000 2.077 50 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 50 Q C 2.009 178.124 176.000 0.192 0.000 0.989 50 Q CA 1.512 57.393 55.803 0.129 0.000 0.853 50 Q CB -0.344 28.516 28.738 0.204 0.000 0.907 50 Q HN 0.698 nan 8.270 nan 0.000 0.418 51 W N 2.006 123.357 121.300 0.085 0.000 2.363 51 W HA -0.176 4.484 4.660 -0.000 0.000 0.296 51 W C 0.359 177.016 176.519 0.231 0.000 1.212 51 W CA 1.371 58.791 57.345 0.125 0.000 1.260 51 W CB 0.093 29.560 29.460 0.011 0.000 1.131 51 W HN 0.181 nan 8.180 nan 0.000 0.530 52 D N -0.163 120.399 120.400 0.269 0.000 2.340 52 D HA 0.089 4.729 4.640 -0.000 0.000 0.220 52 D C 1.232 177.591 176.300 0.099 0.000 1.039 52 D CA 0.490 54.583 54.000 0.156 0.000 0.866 52 D CB -0.230 40.660 40.800 0.150 0.000 0.913 52 D HN -0.010 nan 8.370 nan 0.000 0.523 53 G N 0.362 109.224 108.800 0.104 0.000 2.553 53 G HA2 0.152 4.112 3.960 -0.000 0.000 0.278 53 G HA3 0.152 4.112 3.960 -0.000 0.000 0.278 53 G C 0.085 175.061 174.900 0.127 0.000 1.349 53 G CA -0.465 44.675 45.100 0.067 0.000 1.037 53 G HN -0.048 nan 8.290 nan 0.000 0.508 54 K N -0.822 119.617 120.400 0.065 0.000 2.412 54 K HA 0.152 4.472 4.320 -0.000 0.000 0.281 54 K C -1.141 175.537 176.600 0.130 0.000 1.027 54 K CA -0.192 56.150 56.287 0.092 0.000 0.989 54 K CB 0.192 32.709 32.500 0.029 0.000 0.935 54 K HN 0.345 nan 8.250 nan 0.000 0.475 55 W N 2.790 124.006 121.300 -0.139 0.000 2.512 55 W HA 0.308 4.967 4.660 -0.000 0.000 0.335 55 W C 0.094 176.565 176.519 -0.079 0.000 1.088 55 W CA -0.659 56.595 57.345 -0.151 0.000 1.236 55 W CB 0.860 30.218 29.460 -0.171 0.000 1.307 55 W HN 0.557 nan 8.180 nan 0.000 0.567 56 E N 1.488 121.752 120.200 0.107 0.000 2.259 56 E HA 0.189 4.538 4.350 -0.000 0.000 0.281 56 E C 0.016 176.715 176.600 0.164 0.000 1.027 56 E CA -0.211 56.257 56.400 0.113 0.000 0.838 56 E CB 0.887 30.650 29.700 0.104 0.000 1.066 56 E HN 0.412 nan 8.360 nan 0.000 0.401 57 T N 0.850 115.478 114.554 0.123 0.000 2.869 57 T HA 0.440 4.789 4.350 -0.000 0.000 0.295 57 T C -0.079 174.680 174.700 0.100 0.000 0.987 57 T CA -0.739 61.434 62.100 0.121 0.000 1.109 57 T CB 1.335 70.248 68.868 0.075 0.000 0.932 57 T HN 0.207 nan 8.240 nan 0.000 0.518 58 V N 2.014 121.995 119.914 0.111 0.000 3.165 58 V HA 0.689 4.809 4.120 -0.000 0.000 0.309 58 V C -1.415 174.726 176.094 0.079 0.000 1.267 58 V CA -1.057 61.272 62.300 0.048 0.000 1.067 58 V CB 2.368 34.136 31.823 -0.091 0.000 1.082 58 V HN 1.154 nan 8.190 nan 0.000 0.451 59 E N 2.137 122.372 120.200 0.059 0.000 2.292 59 E HA 0.512 4.862 4.350 -0.000 0.000 0.272 59 E C -1.720 174.906 176.600 0.043 0.000 0.881 59 E CA -0.835 55.602 56.400 0.061 0.000 0.754 59 E CB 2.399 32.117 29.700 0.029 0.000 1.201 59 E HN 0.350 nan 8.360 nan 0.000 0.425 60 I N 2.495 123.062 120.570 -0.004 0.000 2.396 60 I HA 0.272 4.442 4.170 -0.000 0.000 0.292 60 I C -2.018 174.034 176.117 -0.108 0.000 0.999 60 I CA -2.981 58.268 61.300 -0.085 0.000 1.310 60 I CB 0.236 38.107 38.000 -0.216 0.000 1.404 60 I HN 0.415 nan 8.210 nan 0.000 0.496 61 P HA 0.155 nan 4.420 nan 0.000 0.276 61 P C -0.723 176.572 177.300 -0.009 0.000 1.230 61 P CA 0.265 63.305 63.100 -0.100 0.000 0.776 61 P CB 0.997 32.627 31.700 -0.117 0.000 0.888 62 H N 0.674 119.686 119.070 -0.097 0.000 2.851 62 H HA 0.531 5.087 4.556 -0.000 0.000 0.372 62 H C -1.502 173.790 175.328 -0.060 0.000 1.158 62 H CA -0.401 55.609 56.048 -0.063 0.000 1.159 62 H CB 2.524 32.286 29.762 -0.000 0.000 1.757 62 H HN 0.406 nan 8.280 nan 0.000 0.546 63 T N 2.293 116.360 114.554 -0.813 0.000 2.883 63 T HA 0.309 4.659 4.350 -0.000 0.000 0.296 63 T C -0.484 173.668 174.700 -0.913 0.000 1.117 63 T CA -0.609 61.019 62.100 -0.786 0.000 1.006 63 T CB 0.639 69.223 68.868 -0.473 0.000 1.191 63 T HN 0.729 nan 8.240 nan 0.000 0.508 64 W N 2.107 123.163 121.300 -0.407 0.000 3.132 64 W HA 0.472 5.131 4.660 -0.000 0.000 0.364 64 W C 0.468 177.002 176.519 0.024 0.000 1.129 64 W CA -0.430 56.832 57.345 -0.139 0.000 1.815 64 W CB -0.757 28.792 29.460 0.148 0.000 1.099 64 W HN 0.600 nan 8.180 nan 0.000 0.605 65 N N 0.362 119.054 118.700 -0.013 0.000 2.184 65 N HA 0.215 4.955 4.740 -0.000 0.000 0.206 65 N C 1.885 177.490 175.510 0.158 0.000 1.151 65 N CA 0.386 53.503 53.050 0.111 0.000 0.878 65 N CB 0.369 38.836 38.487 -0.032 0.000 1.014 65 N HN 0.143 nan 8.380 nan 0.000 0.512 66 A N 0.978 123.818 122.820 0.033 0.000 1.958 66 A HA -0.238 4.082 4.320 -0.000 0.000 0.221 66 A C 2.086 179.625 177.584 -0.074 0.000 1.178 66 A CA 1.542 53.537 52.037 -0.069 0.000 0.642 66 A CB -0.332 18.552 19.000 -0.193 0.000 0.816 66 A HN 0.394 nan 8.150 nan 0.000 0.453 67 M N -0.536 119.042 119.600 -0.036 0.000 2.553 67 M HA -0.011 4.469 4.480 -0.000 0.000 0.255 67 M C 1.485 177.799 176.300 0.024 0.000 1.181 67 M CA 1.581 56.843 55.300 -0.064 0.000 1.210 67 M CB 0.073 32.646 32.600 -0.046 0.000 1.280 67 M HN 0.410 nan 8.290 nan 0.000 0.495 68 D N 0.275 120.734 120.400 0.098 0.000 2.312 68 D HA -0.176 4.464 4.640 -0.000 0.000 0.211 68 D C 1.663 178.054 176.300 0.153 0.000 0.964 68 D CA 1.147 55.238 54.000 0.152 0.000 0.877 68 D CB -0.569 40.361 40.800 0.216 0.000 0.924 68 D HN 0.457 nan 8.370 nan 0.000 0.515 69 M N -0.584 119.056 119.600 0.066 0.000 2.541 69 M HA 0.074 4.554 4.480 -0.000 0.000 0.252 69 M C 1.614 177.948 176.300 0.056 0.000 1.125 69 M CA 0.573 55.822 55.300 -0.085 0.000 1.091 69 M CB 0.338 32.712 32.600 -0.377 0.000 1.420 69 M HN -0.032 nan 8.290 nan 0.000 0.486 70 Q N -1.299 118.581 119.800 0.133 0.000 2.423 70 Q HA 0.087 4.427 4.340 -0.000 0.000 0.231 70 Q C 1.556 177.744 176.000 0.314 0.000 0.894 70 Q CA 0.598 56.552 55.803 0.252 0.000 0.938 70 Q CB 0.742 29.550 28.738 0.116 0.000 1.079 70 Q HN 0.303 nan 8.270 nan 0.000 0.552 71 V N 1.253 121.286 119.914 0.198 0.000 3.649 71 V HA 0.018 4.138 4.120 -0.000 0.000 0.275 71 V C 0.227 176.445 176.094 0.207 0.000 1.281 71 V CA 0.444 62.891 62.300 0.245 0.000 1.143 71 V CB -0.469 31.445 31.823 0.152 0.000 0.892 71 V HN 0.335 nan 8.190 nan 0.000 0.441 72 Q N -0.370 119.540 119.800 0.183 0.000 2.574 72 Q HA 0.401 4.741 4.340 -0.000 0.000 0.265 72 Q C -0.927 175.165 176.000 0.154 0.000 0.975 72 Q CA -0.469 55.426 55.803 0.153 0.000 0.923 72 Q CB 1.571 30.389 28.738 0.132 0.000 1.518 72 Q HN 0.201 nan 8.270 nan 0.000 0.401 73 S N 0.443 116.226 115.700 0.139 0.000 2.632 73 S HA 0.636 5.106 4.470 -0.000 0.000 0.271 73 S C 0.961 175.628 174.600 0.111 0.000 1.260 73 S CA 0.159 58.439 58.200 0.133 0.000 1.010 73 S CB 1.004 64.293 63.200 0.149 0.000 0.965 73 S HN 1.724 nan 8.310 nan 0.000 0.534 74 G N 0.395 109.246 108.800 0.085 0.000 2.424 74 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.290 74 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.290 74 G C 0.136 175.020 174.900 -0.027 0.000 0.912 74 G CA 0.565 45.670 45.100 0.009 0.000 1.142 74 G HN 1.704 nan 8.290 nan 0.000 0.501 75 S N -0.425 115.309 115.700 0.056 0.000 2.612 75 S HA 0.596 5.066 4.470 -0.000 0.000 0.167 75 S C -0.583 174.069 174.600 0.087 0.000 0.961 75 S CA -0.254 57.922 58.200 -0.039 0.000 1.085 75 S CB -0.327 62.886 63.200 0.022 0.000 1.477 75 S HN 1.694 nan 8.310 nan 0.000 0.413 76 F N 1.128 121.099 119.950 0.035 0.000 2.654 76 F HA 0.693 5.220 4.527 -0.000 0.000 0.308 76 F C -1.401 174.479 175.800 0.133 0.000 1.108 76 F CA -1.525 56.523 58.000 0.079 0.000 0.957 76 F CB 0.457 39.474 39.000 0.029 0.000 1.309 76 F HN 0.303 nan 8.300 nan 0.000 0.446 77 Y N 2.410 122.886 120.300 0.292 0.000 2.319 77 Y HA 0.492 5.042 4.550 -0.000 0.000 0.328 77 Y C -0.357 175.801 175.900 0.429 0.000 1.133 77 Y CA -0.484 57.741 58.100 0.210 0.000 1.265 77 Y CB 0.998 39.525 38.460 0.110 0.000 1.218 77 Y HN 0.837 nan 8.280 nan 0.000 0.508 78 E N 5.570 125.395 120.200 -0.625 0.000 2.361 78 E HA 0.595 4.945 4.350 -0.000 0.000 0.270 78 E C -0.875 175.402 176.600 -0.539 0.000 0.911 78 E CA -0.297 55.914 56.400 -0.316 0.000 0.818 78 E CB 0.687 30.402 29.700 0.026 0.000 1.332 78 E HN 0.995 nan 8.360 nan 0.000 0.402 79 G N 2.123 110.668 108.800 -0.425 0.000 2.404 79 G HA2 0.437 4.397 3.960 -0.000 0.000 0.253 79 G HA3 0.437 4.397 3.960 -0.000 0.000 0.253 79 G C -1.064 173.877 174.900 0.069 0.000 1.253 79 G CA -0.319 44.678 45.100 -0.172 0.000 0.917 79 G HN 0.738 nan 8.290 nan 0.000 0.480 80 A N -0.861 122.079 122.820 0.200 0.000 2.407 80 A HA 0.791 5.111 4.320 -0.000 0.000 0.248 80 A C 0.660 178.305 177.584 0.100 0.000 1.082 80 A CA 0.880 53.037 52.037 0.201 0.000 0.785 80 A CB 0.543 19.715 19.000 0.287 0.000 1.020 80 A HN 2.332 nan 8.150 nan 0.000 0.489 81 G N -0.301 108.470 108.800 -0.049 0.000 2.733 81 G HA2 0.555 4.515 3.960 -0.000 0.000 0.297 81 G HA3 0.555 4.515 3.960 -0.000 0.000 0.297 81 G C -1.653 173.233 174.900 -0.024 0.000 1.422 81 G CA -0.407 44.606 45.100 -0.144 0.000 0.942 81 G HN 0.542 nan 8.290 nan 0.000 0.510 82 Y N -0.016 120.273 120.300 -0.018 0.000 2.393 82 Y HA 0.623 5.173 4.550 -0.000 0.000 0.341 82 Y C -0.605 175.444 175.900 0.248 0.000 0.988 82 Y CA -0.625 57.600 58.100 0.208 0.000 1.078 82 Y CB 2.382 40.955 38.460 0.189 0.000 1.203 82 Y HN 0.514 nan 8.280 nan 0.000 0.453 83 Y N 1.915 122.654 120.300 0.732 0.000 2.429 83 Y HA 0.692 5.242 4.550 -0.000 0.000 0.342 83 Y C -0.069 176.374 175.900 0.905 0.000 1.004 83 Y CA -1.041 57.526 58.100 0.779 0.000 1.075 83 Y CB 2.120 40.871 38.460 0.485 0.000 1.214 83 Y HN 0.450 nan 8.280 nan 0.000 0.455 84 R N 2.618 123.725 120.500 1.012 0.000 2.651 84 R HA 0.604 4.943 4.340 -0.000 0.000 0.278 84 R C -1.911 174.575 176.300 0.310 0.000 1.010 84 R CA -0.981 55.463 56.100 0.574 0.000 0.896 84 R CB 1.961 32.300 30.300 0.066 0.000 1.211 84 R HN 0.794 nan 8.270 nan 0.000 0.456 85 K N 1.263 121.637 120.400 -0.043 0.000 2.557 85 K HA 0.276 4.596 4.320 -0.000 0.000 0.261 85 K C -1.948 174.487 176.600 -0.276 0.000 0.932 85 K CA -0.601 55.442 56.287 -0.406 0.000 0.829 85 K CB 2.258 33.956 32.500 -1.337 0.000 1.358 85 K HN 0.575 nan 8.250 nan 0.000 0.430 86 T N 1.155 115.571 114.554 -0.231 0.000 2.812 86 T HA 0.459 4.808 4.350 -0.000 0.000 0.282 86 T C -1.270 173.355 174.700 -0.125 0.000 0.990 86 T CA -0.495 61.536 62.100 -0.115 0.000 0.960 86 T CB 1.621 70.448 68.868 -0.067 0.000 0.948 86 T HN 0.590 nan 8.240 nan 0.000 0.438 87 Q N 3.758 123.529 119.800 -0.049 0.000 2.323 87 Q HA 0.574 4.914 4.340 -0.000 0.000 0.271 87 Q C -1.735 174.216 176.000 -0.081 0.000 1.048 87 Q CA -0.907 54.814 55.803 -0.136 0.000 0.792 87 Q CB 1.504 30.110 28.738 -0.221 0.000 1.280 87 Q HN 0.746 nan 8.270 nan 0.000 0.441 88 F N 4.464 124.283 119.950 -0.218 0.000 2.438 88 F HA 0.545 5.072 4.527 -0.000 0.000 0.356 88 F C -1.448 174.201 175.800 -0.251 0.000 1.099 88 F CA -0.214 57.704 58.000 -0.137 0.000 1.185 88 F CB 0.377 39.314 39.000 -0.106 0.000 1.115 88 F HN 0.546 nan 8.300 nan 0.000 0.526 89 F N 7.711 127.182 119.950 -0.798 0.000 2.449 89 F HA 0.435 4.961 4.527 -0.000 0.000 0.342 89 F C -2.021 173.304 175.800 -0.792 0.000 1.127 89 F CA -2.292 55.393 58.000 -0.526 0.000 0.975 89 F CB 1.127 39.943 39.000 -0.306 0.000 1.146 89 F HN 0.379 nan 8.300 nan 0.000 0.444 90 P HA 0.074 nan 4.420 nan 0.000 0.273 90 P C 0.172 177.423 177.300 -0.082 0.000 1.250 90 P CA -0.011 63.061 63.100 -0.046 0.000 0.793 90 P CB 0.870 32.701 31.700 0.219 0.000 1.011 91 H N -1.084 118.020 119.070 0.057 0.000 2.521 91 H HA -0.086 4.470 4.556 -0.000 0.000 0.286 91 H C 1.154 176.505 175.328 0.038 0.000 1.034 91 H CA 1.062 57.131 56.048 0.035 0.000 1.278 91 H CB -0.233 29.561 29.762 0.054 0.000 1.386 91 H HN 0.401 nan 8.280 nan 0.000 0.567 92 D N 0.098 120.593 120.400 0.159 0.000 2.311 92 D HA -0.108 4.532 4.640 -0.000 0.000 0.212 92 D C 1.299 177.646 176.300 0.079 0.000 0.972 92 D CA 0.761 54.827 54.000 0.109 0.000 0.887 92 D CB 0.019 40.881 40.800 0.103 0.000 0.915 92 D HN 0.433 nan 8.370 nan 0.000 0.497 93 L N 0.202 121.463 121.223 0.064 0.000 2.591 93 L HA 0.078 4.418 4.340 -0.000 0.000 0.228 93 L C 0.714 177.594 176.870 0.017 0.000 1.133 93 L CA -0.258 54.605 54.840 0.037 0.000 0.880 93 L CB -0.289 41.785 42.059 0.024 0.000 1.033 93 L HN -0.163 nan 8.230 nan 0.000 0.450 94 E N 1.705 121.927 120.200 0.037 0.000 2.765 94 E HA 0.060 4.410 4.350 -0.000 0.000 0.256 94 E C 1.333 177.943 176.600 0.018 0.000 0.935 94 E CA 0.936 57.355 56.400 0.031 0.000 0.954 94 E CB 0.148 29.882 29.700 0.057 0.000 0.908 94 E HN 0.331 nan 8.360 nan 0.000 0.500 95 G N 3.253 112.055 108.800 0.003 0.000 2.184 95 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.264 95 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.264 95 G C 0.261 175.163 174.900 0.003 0.000 0.975 95 G CA 0.697 45.798 45.100 0.003 0.000 0.642 95 G HN 0.595 nan 8.290 nan 0.000 0.536 96 K N -0.144 120.255 120.400 -0.002 0.000 2.132 96 K HA 0.736 5.056 4.320 -0.000 0.000 0.241 96 K C 0.633 177.219 176.600 -0.023 0.000 1.000 96 K CA -0.694 55.597 56.287 0.006 0.000 0.911 96 K CB 0.707 33.219 32.500 0.020 0.000 1.093 96 K HN 0.226 nan 8.250 nan 0.000 0.460 97 R N 0.675 121.179 120.500 0.007 0.000 2.393 97 R HA 0.445 4.785 4.340 -0.000 0.000 0.310 97 R C -1.128 175.102 176.300 -0.118 0.000 0.968 97 R CA -0.824 55.232 56.100 -0.074 0.000 0.867 97 R CB 1.378 31.721 30.300 0.071 0.000 1.124 97 R HN 0.191 nan 8.270 nan 0.000 0.450 98 V N 4.411 124.098 119.914 -0.379 0.000 2.448 98 V HA 0.518 4.638 4.120 -0.000 0.000 0.295 98 V C -0.739 175.027 176.094 -0.547 0.000 1.025 98 V CA -0.715 61.408 62.300 -0.294 0.000 0.859 98 V CB 1.108 32.776 31.823 -0.257 0.000 0.988 98 V HN 0.531 nan 8.190 nan 0.000 0.431 99 F N 3.715 123.632 119.950 -0.056 0.000 2.579 99 F HA 0.722 5.249 4.527 -0.000 0.000 0.324 99 F C -0.141 175.608 175.800 -0.085 0.000 1.058 99 F CA -0.934 57.039 58.000 -0.044 0.000 0.944 99 F CB 1.741 40.731 39.000 -0.016 0.000 1.245 99 F HN 0.174 nan 8.300 nan 0.000 0.477 100 L N 1.944 123.247 121.223 0.132 0.000 2.346 100 L HA 0.637 4.977 4.340 -0.000 0.000 0.276 100 L C -0.537 176.354 176.870 0.035 0.000 1.006 100 L CA -0.749 54.077 54.840 -0.023 0.000 0.817 100 L CB 2.204 44.269 42.059 0.010 0.000 1.272 100 L HN 0.577 nan 8.230 nan 0.000 0.421 101 R N 2.727 123.163 120.500 -0.106 0.000 2.435 101 R HA 0.478 4.818 4.340 -0.000 0.000 0.308 101 R C -1.687 174.476 176.300 -0.229 0.000 0.975 101 R CA -0.458 55.606 56.100 -0.060 0.000 0.867 101 R CB 1.048 31.358 30.300 0.016 0.000 1.171 101 R HN 0.354 nan 8.270 nan 0.000 0.470 102 F N 2.757 122.450 119.950 -0.428 0.000 2.404 102 F HA 0.256 4.783 4.527 -0.000 0.000 0.354 102 F C 1.241 176.772 175.800 -0.449 0.000 1.122 102 F CA -0.423 57.252 58.000 -0.542 0.000 1.080 102 F CB 1.900 40.255 39.000 -1.076 0.000 1.131 102 F HN 0.552 nan 8.300 nan 0.000 0.471 103 E N 2.143 122.277 120.200 -0.111 0.000 2.285 103 E HA 0.152 4.502 4.350 -0.000 0.000 0.194 103 E C 0.731 177.239 176.600 -0.154 0.000 0.997 103 E CA 0.285 56.633 56.400 -0.087 0.000 0.845 103 E CB 0.299 29.982 29.700 -0.028 0.000 0.782 103 E HN 0.758 nan 8.360 nan 0.000 0.491 104 G N 0.243 108.896 108.800 -0.245 0.000 2.657 104 G HA2 0.384 4.344 3.960 -0.000 0.000 0.303 104 G HA3 0.384 4.344 3.960 -0.000 0.000 0.303 104 G C -1.496 173.253 174.900 -0.253 0.000 1.457 104 G CA -0.629 44.304 45.100 -0.278 0.000 0.982 104 G HN -0.032 nan 8.290 nan 0.000 0.583 105 V N 1.016 120.989 119.914 0.098 0.000 2.569 105 V HA 0.783 4.902 4.120 -0.000 0.000 0.301 105 V C 0.666 176.884 176.094 0.206 0.000 1.044 105 V CA -0.285 62.119 62.300 0.173 0.000 0.874 105 V CB 1.931 33.873 31.823 0.199 0.000 1.002 105 V HN 1.202 nan 8.190 nan 0.000 0.424 106 G N 2.363 111.248 108.800 0.140 0.000 2.320 106 G HA2 0.569 4.529 3.960 -0.000 0.000 0.300 106 G HA3 0.569 4.529 3.960 -0.000 0.000 0.300 106 G C 0.453 175.325 174.900 -0.048 0.000 1.126 106 G CA 0.452 45.498 45.100 -0.089 0.000 0.896 106 G HN 1.045 nan 8.290 nan 0.000 0.436 107 A N 1.579 124.410 122.820 0.019 0.000 2.074 107 A HA 0.393 4.713 4.320 -0.000 0.000 0.200 107 A C 0.903 178.514 177.584 0.046 0.000 1.335 107 A CA 0.448 52.486 52.037 0.002 0.000 0.922 107 A CB 0.263 19.262 19.000 -0.003 0.000 0.972 107 A HN 0.627 nan 8.150 nan 0.000 0.475 108 C N 0.039 119.370 119.300 0.053 0.000 2.493 108 C HA 0.855 5.315 4.460 -0.000 0.000 0.326 108 C C 0.364 175.369 174.990 0.026 0.000 1.200 108 C CA -0.367 58.657 59.018 0.011 0.000 1.739 108 C CB 1.076 28.816 27.740 -0.001 0.000 2.300 108 C HN 0.641 nan 8.230 nan 0.000 0.500 109 A N 2.239 125.019 122.820 -0.067 0.000 2.414 109 A HA 0.806 5.125 4.320 -0.000 0.000 0.306 109 A C -1.065 176.458 177.584 -0.102 0.000 1.054 109 A CA -0.456 51.539 52.037 -0.069 0.000 0.724 109 A CB 0.922 19.845 19.000 -0.128 0.000 1.267 109 A HN 0.876 nan 8.150 nan 0.000 0.418 110 E N 0.378 120.586 120.200 0.013 0.000 2.248 110 E HA 0.517 4.867 4.350 -0.000 0.000 0.267 110 E C -1.416 175.198 176.600 0.023 0.000 0.877 110 E CA -0.856 55.531 56.400 -0.021 0.000 0.759 110 E CB 2.751 32.512 29.700 0.102 0.000 1.182 110 E HN 0.531 nan 8.360 nan 0.000 0.418 111 V N 3.777 123.612 119.914 -0.132 0.000 2.487 111 V HA 0.501 4.620 4.120 -0.000 0.000 0.298 111 V C -1.846 174.152 176.094 -0.159 0.000 1.028 111 V CA -0.379 61.941 62.300 0.033 0.000 0.860 111 V CB 0.535 32.458 31.823 0.167 0.000 0.991 111 V HN 0.609 nan 8.190 nan 0.000 0.427 112 Y N 4.157 124.607 120.300 0.249 0.000 2.429 112 Y HA 0.734 5.284 4.550 -0.000 0.000 0.342 112 Y C 0.007 176.028 175.900 0.201 0.000 1.004 112 Y CA -0.954 57.266 58.100 0.200 0.000 1.075 112 Y CB 2.433 41.011 38.460 0.198 0.000 1.214 112 Y HN 0.469 nan 8.280 nan 0.000 0.455 113 V N 2.747 122.821 119.914 0.266 0.000 2.407 113 V HA 0.210 4.329 4.120 -0.000 0.000 0.291 113 V C -0.220 175.962 176.094 0.146 0.000 1.018 113 V CA -1.404 61.002 62.300 0.177 0.000 0.842 113 V CB 0.953 32.823 31.823 0.079 0.000 0.996 113 V HN 0.987 nan 8.190 nan 0.000 0.426 114 N N 4.059 122.842 118.700 0.138 0.000 2.701 114 N HA -0.274 4.466 4.740 -0.000 0.000 0.250 114 N C 1.217 176.792 175.510 0.109 0.000 1.046 114 N CA 0.821 53.930 53.050 0.099 0.000 0.733 114 N CB -0.653 37.866 38.487 0.053 0.000 0.973 114 N HN 1.346 nan 8.380 nan 0.000 0.541 115 G N -0.954 107.947 108.800 0.168 0.000 2.268 115 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.240 115 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.240 115 G C -0.069 174.980 174.900 0.249 0.000 1.010 115 G CA 0.498 45.692 45.100 0.157 0.000 0.618 115 G HN 0.444 nan 8.290 nan 0.000 0.516 116 K N 0.811 121.331 120.400 0.201 0.000 2.276 116 K HA 0.577 4.897 4.320 -0.000 0.000 0.283 116 K C -0.024 176.674 176.600 0.164 0.000 1.044 116 K CA -0.850 55.534 56.287 0.161 0.000 0.944 116 K CB 2.128 34.675 32.500 0.077 0.000 1.012 116 K HN 0.196 nan 8.250 nan 0.000 0.472 117 L N 3.280 124.566 121.223 0.105 0.000 2.530 117 L HA 0.002 4.342 4.340 -0.000 0.000 0.273 117 L C 0.889 177.692 176.870 -0.112 0.000 1.141 117 L CA 0.735 55.479 54.840 -0.160 0.000 0.905 117 L CB 0.272 42.253 42.059 -0.129 0.000 1.202 117 L HN 0.880 nan 8.230 nan 0.000 0.473 118 A N 3.812 126.559 122.820 -0.122 0.000 2.030 118 A HA 0.613 4.933 4.320 -0.000 0.000 0.215 118 A C 0.950 178.524 177.584 -0.018 0.000 1.164 118 A CA 0.810 52.828 52.037 -0.031 0.000 0.697 118 A CB -0.308 18.709 19.000 0.029 0.000 0.827 118 A HN 0.912 nan 8.150 nan 0.000 0.457 119 G N -2.873 105.884 108.800 -0.072 0.000 2.489 119 G HA2 0.475 4.435 3.960 -0.000 0.000 0.291 119 G HA3 0.475 4.435 3.960 -0.000 0.000 0.291 119 G C -1.241 173.594 174.900 -0.108 0.000 1.487 119 G CA 0.021 45.101 45.100 -0.034 0.000 0.795 119 G HN 0.097 nan 8.290 nan 0.000 0.513 120 T N 0.107 114.593 114.554 -0.113 0.000 2.900 120 T HA 0.746 5.096 4.350 -0.000 0.000 0.295 120 T C -1.399 173.160 174.700 -0.234 0.000 1.044 120 T CA -0.485 61.515 62.100 -0.167 0.000 0.995 120 T CB 1.592 70.396 68.868 -0.107 0.000 1.072 120 T HN 0.729 nan 8.240 nan 0.000 0.473 121 H N 1.832 120.622 119.070 -0.468 0.000 3.085 121 H HA 0.397 4.953 4.556 -0.000 0.000 0.356 121 H C -1.607 173.529 175.328 -0.319 0.000 1.178 121 H CA -0.641 55.090 56.048 -0.528 0.000 1.214 121 H CB 1.587 30.619 29.762 -1.216 0.000 1.881 121 H HN 0.496 nan 8.280 nan 0.000 0.538 122 K N 2.306 122.249 120.400 -0.761 0.000 2.545 122 K HA 0.513 4.833 4.320 -0.000 0.000 0.252 122 K C -0.947 175.385 176.600 -0.446 0.000 0.948 122 K CA -0.583 55.461 56.287 -0.405 0.000 0.827 122 K CB 2.300 34.667 32.500 -0.221 0.000 1.128 122 K HN 0.863 nan 8.250 nan 0.000 0.429 123 G N 1.006 109.730 108.800 -0.127 0.000 2.789 123 G HA2 0.028 3.988 3.960 -0.000 0.000 0.353 123 G HA3 0.028 3.988 3.960 -0.000 0.000 0.353 123 G C 0.195 175.255 174.900 0.267 0.000 1.220 123 G CA -0.622 44.538 45.100 0.099 0.000 1.204 123 G HN 0.686 nan 8.290 nan 0.000 0.574 124 G N 0.058 108.921 108.800 0.106 0.000 3.210 124 G HA2 0.337 4.297 3.960 -0.000 0.000 0.220 124 G HA3 0.337 4.297 3.960 -0.000 0.000 0.220 124 G C 0.603 175.321 174.900 -0.305 0.000 1.200 124 G CA 0.682 45.705 45.100 -0.128 0.000 0.834 124 G HN 0.665 nan 8.290 nan 0.000 0.524 125 Y N 0.177 120.664 120.300 0.313 0.000 2.563 125 Y HA 0.243 4.793 4.550 -0.000 0.000 0.250 125 Y C 1.214 177.273 175.900 0.265 0.000 1.126 125 Y CA -0.507 57.765 58.100 0.286 0.000 1.231 125 Y CB 0.529 39.151 38.460 0.270 0.000 1.288 125 Y HN 0.202 nan 8.280 nan 0.000 0.537 126 S N 0.191 116.124 115.700 0.389 0.000 2.664 126 S HA 0.863 5.333 4.470 -0.000 0.000 0.304 126 S C 0.017 174.710 174.600 0.156 0.000 1.099 126 S CA -0.789 57.587 58.200 0.293 0.000 1.003 126 S CB 2.049 65.465 63.200 0.361 0.000 1.092 126 S HN 0.176 nan 8.310 nan 0.000 0.525 127 A N 0.934 123.816 122.820 0.103 0.000 2.313 127 A HA 0.747 5.067 4.320 -0.000 0.000 0.261 127 A C -0.300 177.307 177.584 0.039 0.000 1.090 127 A CA -0.576 51.468 52.037 0.012 0.000 0.807 127 A CB -0.396 18.612 19.000 0.014 0.000 1.055 127 A HN 1.386 nan 8.150 nan 0.000 0.492 128 F N -2.415 117.478 119.950 -0.096 0.000 2.654 128 F HA 0.782 5.309 4.527 -0.000 0.000 0.308 128 F C -0.433 175.437 175.800 0.116 0.000 1.108 128 F CA -0.744 57.217 58.000 -0.064 0.000 0.957 128 F CB 1.302 40.147 39.000 -0.259 0.000 1.309 128 F HN 0.830 nan 8.300 nan 0.000 0.446 129 A N 1.081 124.075 122.820 0.289 0.000 2.422 129 A HA 0.847 5.167 4.320 -0.000 0.000 0.302 129 A C -1.248 176.532 177.584 0.326 0.000 1.041 129 A CA -0.601 51.586 52.037 0.250 0.000 0.708 129 A CB 0.990 20.079 19.000 0.147 0.000 1.257 129 A HN 1.563 nan 8.150 nan 0.000 0.414 130 C N 0.620 120.121 119.300 0.335 0.000 2.626 130 C HA 0.770 5.230 4.460 -0.000 0.000 0.310 130 C C -0.059 175.056 174.990 0.209 0.000 1.191 130 C CA -0.878 58.303 59.018 0.271 0.000 1.517 130 C CB 0.539 28.407 27.740 0.214 0.000 2.102 130 C HN 1.006 nan 8.230 nan 0.000 0.479 131 E N 0.991 121.256 120.200 0.107 0.000 2.392 131 E HA 0.365 4.715 4.350 -0.000 0.000 0.264 131 E C 0.492 176.962 176.600 -0.217 0.000 1.024 131 E CA 0.006 56.214 56.400 -0.320 0.000 0.903 131 E CB 0.494 29.969 29.700 -0.376 0.000 0.963 131 E HN 0.835 nan 8.360 nan 0.000 0.432 132 I N 0.785 121.167 120.570 -0.314 0.000 4.887 132 I HA 0.354 4.524 4.170 -0.000 0.000 0.349 132 I C 1.448 177.397 176.117 -0.280 0.000 1.266 132 I CA 0.005 61.176 61.300 -0.214 0.000 1.376 132 I CB 0.191 38.097 38.000 -0.157 0.000 1.556 132 I HN 0.640 nan 8.210 nan 0.000 0.530 133 G N 2.679 111.264 108.800 -0.358 0.000 2.574 133 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.220 133 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.220 133 G C 1.551 176.309 174.900 -0.237 0.000 1.173 133 G CA 2.345 47.251 45.100 -0.325 0.000 0.772 133 G HN 0.578 nan 8.290 nan 0.000 0.585 134 T N -1.721 112.717 114.554 -0.193 0.000 3.139 134 T HA 0.418 4.768 4.350 -0.000 0.000 0.267 134 T C 1.722 176.356 174.700 -0.110 0.000 1.164 134 T CA 1.462 63.485 62.100 -0.129 0.000 1.075 134 T CB 0.056 68.865 68.868 -0.098 0.000 0.904 134 T HN 0.489 nan 8.240 nan 0.000 0.540 135 A N 0.215 122.954 122.820 -0.135 0.000 2.390 135 A HA 0.528 4.848 4.320 -0.000 0.000 0.225 135 A C 0.640 178.148 177.584 -0.126 0.000 1.232 135 A CA -0.431 51.546 52.037 -0.100 0.000 0.964 135 A CB 0.271 19.229 19.000 -0.070 0.000 1.064 135 A HN 0.396 nan 8.150 nan 0.000 0.525 136 L N 1.198 122.296 121.223 -0.209 0.000 2.467 136 L HA 0.172 4.512 4.340 -0.000 0.000 0.270 136 L C 0.006 176.778 176.870 -0.163 0.000 1.205 136 L CA 0.701 55.388 54.840 -0.255 0.000 0.828 136 L CB -0.029 41.752 42.059 -0.463 0.000 1.101 136 L HN 0.293 nan 8.230 nan 0.000 0.479 137 K N 2.760 123.083 120.400 -0.129 0.000 2.264 137 K HA 0.446 4.765 4.320 -0.000 0.000 0.277 137 K C -0.595 175.903 176.600 -0.171 0.000 1.067 137 K CA -0.863 55.359 56.287 -0.107 0.000 0.900 137 K CB 1.005 33.468 32.500 -0.062 0.000 1.124 137 K HN 0.116 nan 8.250 nan 0.000 0.469 138 L N 1.604 122.708 121.223 -0.197 0.000 2.453 138 L HA 0.231 4.571 4.340 -0.000 0.000 0.261 138 L C 1.625 178.145 176.870 -0.583 0.000 1.179 138 L CA 0.967 55.614 54.840 -0.323 0.000 0.813 138 L CB 0.199 42.130 42.059 -0.214 0.000 1.110 138 L HN 0.994 nan 8.230 nan 0.000 0.466 139 G N 0.731 109.003 108.800 -0.879 0.000 2.205 139 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.269 139 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.269 139 G C 0.310 175.033 174.900 -0.294 0.000 0.977 139 G CA 0.801 45.382 45.100 -0.866 0.000 0.652 139 G HN 1.063 nan 8.290 nan 0.000 0.539 140 A N -1.008 121.576 122.820 -0.393 0.000 2.443 140 A HA 0.832 5.152 4.320 -0.000 0.000 0.278 140 A C -0.121 177.399 177.584 -0.108 0.000 1.252 140 A CA -0.484 51.499 52.037 -0.090 0.000 0.816 140 A CB 0.956 19.933 19.000 -0.039 0.000 1.369 140 A HN 0.300 nan 8.150 nan 0.000 0.446 141 E N 1.052 121.299 120.200 0.079 0.000 2.266 141 E HA 0.327 4.677 4.350 -0.000 0.000 0.277 141 E C -0.983 175.658 176.600 0.069 0.000 1.018 141 E CA -0.497 55.960 56.400 0.096 0.000 0.840 141 E CB 1.035 30.806 29.700 0.119 0.000 1.082 141 E HN 0.561 nan 8.360 nan 0.000 0.395 142 N N 1.581 120.352 118.700 0.118 0.000 2.312 142 N HA 0.225 4.965 4.740 -0.000 0.000 0.296 142 N C -1.029 174.556 175.510 0.126 0.000 1.193 142 N CA -0.564 52.563 53.050 0.129 0.000 0.773 142 N CB 2.409 41.004 38.487 0.181 0.000 1.435 142 N HN 0.440 nan 8.380 nan 0.000 0.484 143 E N 1.802 122.070 120.200 0.114 0.000 2.191 143 E HA 0.324 4.674 4.350 -0.000 0.000 0.263 143 E C -0.973 175.737 176.600 0.183 0.000 0.881 143 E CA -0.642 55.825 56.400 0.112 0.000 0.757 143 E CB 0.952 30.702 29.700 0.084 0.000 1.147 143 E HN 0.383 nan 8.360 nan 0.000 0.414 144 I N 5.953 126.647 120.570 0.205 0.000 2.321 144 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 144 I C 0.049 176.448 176.117 0.471 0.000 0.998 144 I CA -0.589 60.922 61.300 0.351 0.000 1.227 144 I CB 0.687 38.938 38.000 0.419 0.000 1.368 144 I HN 0.523 nan 8.210 nan 0.000 0.466 145 I N 6.124 127.030 120.570 0.561 0.000 2.465 145 I HA 0.470 4.639 4.170 -0.000 0.000 0.291 145 I C -0.513 176.052 176.117 0.748 0.000 1.014 145 I CA -0.892 60.815 61.300 0.678 0.000 1.093 145 I CB 2.573 40.924 38.000 0.586 0.000 1.267 145 I HN 0.154 nan 8.210 nan 0.000 0.431 146 V N 6.070 126.443 119.914 0.765 0.000 2.444 146 V HA 0.355 4.475 4.120 -0.000 0.000 0.294 146 V C -0.027 176.412 176.094 0.575 0.000 1.022 146 V CA -0.819 61.822 62.300 0.568 0.000 0.850 146 V CB 1.896 33.938 31.823 0.365 0.000 0.992 146 V HN 0.544 nan 8.190 nan 0.000 0.426 147 K N 3.702 124.364 120.400 0.438 0.000 2.253 147 K HA 0.715 5.035 4.320 -0.000 0.000 0.277 147 K C -0.383 176.332 176.600 0.190 0.000 1.053 147 K CA -0.132 56.270 56.287 0.190 0.000 0.892 147 K CB 1.497 34.108 32.500 0.186 0.000 1.102 147 K HN 0.826 nan 8.250 nan 0.000 0.469 148 A N 3.840 126.823 122.820 0.271 0.000 2.330 148 A HA 0.424 4.744 4.320 -0.000 0.000 0.327 148 A C -1.016 176.815 177.584 0.410 0.000 1.155 148 A CA -0.635 51.636 52.037 0.390 0.000 0.803 148 A CB 0.950 20.344 19.000 0.656 0.000 1.208 148 A HN 0.690 nan 8.150 nan 0.000 0.477 149 D N 1.358 121.947 120.400 0.315 0.000 2.863 149 D HA 0.228 4.867 4.640 -0.000 0.000 0.245 149 D C -0.792 175.646 176.300 0.229 0.000 1.211 149 D CA -0.332 53.842 54.000 0.290 0.000 0.888 149 D CB 1.372 42.262 40.800 0.151 0.000 1.483 149 D HN 0.511 nan 8.370 nan 0.000 0.533 150 N N 2.896 121.755 118.700 0.265 0.000 2.338 150 N HA 0.048 4.788 4.740 -0.000 0.000 0.251 150 N C -0.221 175.332 175.510 0.072 0.000 1.199 150 N CA -0.410 52.707 53.050 0.112 0.000 0.879 150 N CB 0.309 38.799 38.487 0.005 0.000 1.159 150 N HN 0.221 nan 8.380 nan 0.000 0.514 151 K N 1.073 121.510 120.400 0.063 0.000 2.339 151 K HA 0.393 4.712 4.320 -0.000 0.000 0.286 151 K C -0.121 176.497 176.600 0.031 0.000 1.050 151 K CA -0.392 55.911 56.287 0.028 0.000 0.956 151 K CB 0.757 33.263 32.500 0.010 0.000 0.990 151 K HN 0.273 nan 8.250 nan 0.000 0.475 152 A N 4.947 127.783 122.820 0.027 0.000 2.498 152 A HA 0.133 4.453 4.320 -0.000 0.000 0.239 152 A C -0.368 177.230 177.584 0.023 0.000 1.068 152 A CA 0.102 52.153 52.037 0.025 0.000 0.766 152 A CB 0.125 19.136 19.000 0.018 0.000 1.003 152 A HN 0.940 nan 8.150 nan 0.000 0.497 153 R N 2.065 122.583 120.500 0.030 0.000 2.604 153 R HA 0.465 4.804 4.340 -0.000 0.000 0.270 153 R C -2.854 173.471 176.300 0.042 0.000 1.052 153 R CA -1.667 54.450 56.100 0.027 0.000 0.902 153 R CB 1.171 31.483 30.300 0.022 0.000 1.233 153 R HN 0.356 nan 8.270 nan 0.000 0.455 154 P HA -0.175 nan 4.420 nan 0.000 0.222 154 P C 0.016 177.386 177.300 0.117 0.000 1.147 154 P CA 1.264 64.416 63.100 0.088 0.000 0.790 154 P CB 0.119 31.886 31.700 0.112 0.000 0.780 155 D N -0.895 119.556 120.400 0.087 0.000 2.328 155 D HA 0.064 4.704 4.640 -0.000 0.000 0.221 155 D C 0.216 176.563 176.300 0.080 0.000 1.072 155 D CA -0.280 53.780 54.000 0.100 0.000 0.850 155 D CB -0.185 40.656 40.800 0.067 0.000 0.922 155 D HN 0.022 nan 8.370 nan 0.000 0.516 156 V N 2.098 122.056 119.914 0.073 0.000 2.638 156 V HA 0.324 4.444 4.120 -0.000 0.000 0.306 156 V C 0.236 176.389 176.094 0.097 0.000 1.052 156 V CA -1.257 61.086 62.300 0.072 0.000 0.885 156 V CB 2.174 34.026 31.823 0.049 0.000 0.999 156 V HN 0.202 nan 8.190 nan 0.000 0.424 157 I N 3.258 123.902 120.570 0.124 0.000 2.499 157 I HA 0.655 4.825 4.170 -0.000 0.000 0.296 157 I C -2.338 173.908 176.117 0.214 0.000 0.992 157 I CA -2.256 59.135 61.300 0.151 0.000 1.297 157 I CB 2.085 40.184 38.000 0.164 0.000 1.410 157 I HN 0.398 nan 8.210 nan 0.000 0.507 158 P HA 0.018 nan 4.420 nan 0.000 0.276 158 P C 0.680 178.019 177.300 0.065 0.000 1.230 158 P CA -0.256 62.924 63.100 0.134 0.000 0.776 158 P CB 1.692 33.439 31.700 0.079 0.000 0.888 159 V N -0.186 119.757 119.914 0.048 0.000 3.510 159 V HA 0.038 4.158 4.120 -0.000 0.000 0.270 159 V C 0.156 176.258 176.094 0.014 0.000 1.201 159 V CA 0.699 63.023 62.300 0.040 0.000 1.166 159 V CB -2.052 29.800 31.823 0.050 0.000 0.825 159 V HN 0.747 nan 8.190 nan 0.000 0.484 160 N N -1.493 117.193 118.700 -0.024 0.000 3.116 160 N HA 0.246 4.986 4.740 -0.000 0.000 0.244 160 N C -0.425 175.009 175.510 -0.126 0.000 1.485 160 N CA -0.685 52.341 53.050 -0.041 0.000 0.884 160 N CB 0.492 38.971 38.487 -0.013 0.000 1.415 160 N HN -0.025 nan 8.380 nan 0.000 0.524 161 Q N -0.348 119.386 119.800 -0.110 0.000 2.211 161 Q HA 0.288 4.628 4.340 -0.000 0.000 0.231 161 Q C -0.199 175.692 176.000 -0.182 0.000 0.865 161 Q CA -0.090 55.593 55.803 -0.199 0.000 0.997 161 Q CB -0.442 28.239 28.738 -0.096 0.000 1.101 161 Q HN 0.653 nan 8.270 nan 0.000 0.468 162 N N 0.122 118.758 118.700 -0.105 0.000 2.171 162 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 162 N C 1.183 176.774 175.510 0.136 0.000 1.021 162 N CA 0.451 53.528 53.050 0.045 0.000 0.854 162 N CB 0.240 38.835 38.487 0.180 0.000 0.994 162 N HN 0.042 nan 8.380 nan 0.000 0.426 163 L N 0.018 121.270 121.223 0.048 0.000 2.179 163 L HA 0.173 4.513 4.340 -0.000 0.000 0.208 163 L C -0.032 177.114 176.870 0.459 0.000 1.096 163 L CA 1.201 56.199 54.840 0.264 0.000 0.779 163 L CB -0.657 41.573 42.059 0.285 0.000 0.922 163 L HN 0.125 nan 8.230 nan 0.000 0.443 164 F N -3.873 116.186 119.950 0.183 0.000 2.900 164 F HA 0.630 5.157 4.527 -0.000 0.000 0.321 164 F C -0.126 175.652 175.800 -0.037 0.000 1.160 164 F CA -1.297 56.769 58.000 0.109 0.000 0.890 164 F CB 0.529 39.607 39.000 0.129 0.000 1.334 164 F HN -0.276 nan 8.300 nan 0.000 0.459 165 G N 0.438 109.219 108.800 -0.032 0.000 2.416 165 G HA2 0.548 4.508 3.960 -0.000 0.000 0.324 165 G HA3 0.548 4.508 3.960 -0.000 0.000 0.324 165 G C -1.380 173.348 174.900 -0.286 0.000 1.194 165 G CA -1.040 43.837 45.100 -0.373 0.000 0.922 165 G HN 0.744 nan 8.290 nan 0.000 0.467 166 V N 3.658 123.448 119.914 -0.206 0.000 2.242 166 V HA 0.026 4.146 4.120 -0.000 0.000 0.242 166 V C -0.149 175.751 176.094 -0.323 0.000 1.240 166 V CA -0.613 61.615 62.300 -0.120 0.000 1.211 166 V CB -1.928 29.874 31.823 -0.036 0.000 1.338 166 V HN 0.541 nan 8.190 nan 0.000 0.499 167 Y N 2.167 122.246 120.300 -0.368 0.000 2.944 167 Y HA 0.156 4.706 4.550 -0.000 0.000 0.340 167 Y C 1.491 176.972 175.900 -0.698 0.000 1.275 167 Y CA 1.059 58.849 58.100 -0.518 0.000 1.590 167 Y CB 0.148 38.286 38.460 -0.535 0.000 1.218 167 Y HN 0.620 nan 8.280 nan 0.000 0.576 168 G N 1.308 109.615 108.800 -0.822 0.000 2.507 168 G HA2 0.545 4.505 3.960 -0.000 0.000 0.271 168 G HA3 0.545 4.505 3.960 -0.000 0.000 0.271 168 G C 0.135 174.239 174.900 -1.327 0.000 1.189 168 G CA 0.106 44.431 45.100 -1.293 0.000 0.859 168 G HN 1.120 nan 8.290 nan 0.000 0.542 169 G N -0.759 107.591 108.800 -0.750 0.000 2.392 169 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.677 169 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.677 169 G C -0.306 174.619 174.900 0.042 0.000 1.334 169 G CA -0.742 44.305 45.100 -0.088 0.000 0.961 169 G HN 0.902 nan 8.290 nan 0.000 0.616 170 I N 2.274 122.764 120.570 -0.132 0.000 2.366 170 I HA 0.121 4.290 4.170 -0.000 0.000 0.302 170 I C 1.425 177.441 176.117 -0.168 0.000 1.194 170 I CA -0.127 60.998 61.300 -0.291 0.000 1.667 170 I CB -0.519 37.055 38.000 -0.711 0.000 1.501 170 I HN 0.593 nan 8.210 nan 0.000 0.776 171 Y N 3.103 123.285 120.300 -0.195 0.000 2.511 171 Y HA 0.359 4.909 4.550 -0.000 0.000 0.279 171 Y C 0.794 176.604 175.900 -0.150 0.000 1.157 171 Y CA -0.635 57.349 58.100 -0.194 0.000 1.300 171 Y CB -0.180 38.137 38.460 -0.239 0.000 1.052 171 Y HN 0.206 nan 8.280 nan 0.000 0.529 172 R N 0.817 120.868 120.500 -0.747 0.000 2.828 172 R HA 0.452 4.791 4.340 -0.000 0.000 0.264 172 R C -2.716 173.391 176.300 -0.322 0.000 1.022 172 R CA -2.314 53.495 56.100 -0.484 0.000 1.021 172 R CB 0.679 30.659 30.300 -0.534 0.000 1.163 172 R HN -0.039 nan 8.270 nan 0.000 0.494 173 P HA 0.042 nan 4.420 nan 0.000 0.269 173 P C -0.942 176.114 177.300 -0.407 0.000 1.215 173 P CA -0.169 62.733 63.100 -0.330 0.000 0.780 173 P CB 0.617 32.130 31.700 -0.310 0.000 0.898 174 V N 2.156 121.744 119.914 -0.543 0.000 2.581 174 V HA 0.440 4.560 4.120 -0.000 0.000 0.303 174 V C -0.711 175.026 176.094 -0.595 0.000 1.041 174 V CA -0.404 61.576 62.300 -0.535 0.000 0.907 174 V CB 1.318 32.878 31.823 -0.438 0.000 0.994 174 V HN 0.566 nan 8.190 nan 0.000 0.442 175 W N 3.803 124.980 121.300 -0.203 0.000 2.736 175 W HA 0.721 5.381 4.660 -0.000 0.000 0.335 175 W C -0.655 175.760 176.519 -0.173 0.000 1.059 175 W CA -0.661 56.621 57.345 -0.105 0.000 1.226 175 W CB 1.833 31.228 29.460 -0.108 0.000 1.416 175 W HN 0.411 nan 8.180 nan 0.000 0.505 176 L N 4.802 126.100 121.223 0.126 0.000 2.282 176 L HA 0.661 5.001 4.340 -0.000 0.000 0.288 176 L C -0.921 176.025 176.870 0.126 0.000 1.033 176 L CA -0.497 54.330 54.840 -0.023 0.000 0.807 176 L CB 0.359 42.372 42.059 -0.078 0.000 1.209 176 L HN 0.348 nan 8.230 nan 0.000 0.423 177 I N 5.753 126.401 120.570 0.130 0.000 2.436 177 I HA 0.463 4.633 4.170 -0.000 0.000 0.289 177 I C -0.913 175.338 176.117 0.224 0.000 1.010 177 I CA -0.850 60.543 61.300 0.154 0.000 1.098 177 I CB 1.982 40.037 38.000 0.091 0.000 1.266 177 I HN 0.253 nan 8.210 nan 0.000 0.434 178 V N 5.086 125.098 119.914 0.163 0.000 2.495 178 V HA 0.569 4.689 4.120 -0.000 0.000 0.298 178 V C 0.050 176.227 176.094 0.138 0.000 1.031 178 V CA -0.206 62.190 62.300 0.160 0.000 0.871 178 V CB 2.055 33.948 31.823 0.117 0.000 0.988 178 V HN 0.794 nan 8.190 nan 0.000 0.432 179 T N 2.702 117.358 114.554 0.170 0.000 2.858 179 T HA 0.483 4.832 4.350 -0.000 0.000 0.285 179 T C -0.672 174.088 174.700 0.101 0.000 1.052 179 T CA -0.594 61.589 62.100 0.139 0.000 1.009 179 T CB 2.005 71.014 68.868 0.235 0.000 1.241 179 T HN 0.631 nan 8.240 nan 0.000 0.542 180 E N 0.713 120.958 120.200 0.075 0.000 2.267 180 E HA 0.247 4.597 4.350 -0.000 0.000 0.258 180 E C 0.710 177.346 176.600 0.062 0.000 1.074 180 E CA -0.490 55.942 56.400 0.054 0.000 0.915 180 E CB 0.962 30.680 29.700 0.031 0.000 1.186 180 E HN 0.486 nan 8.360 nan 0.000 0.439 181 Q N 0.337 120.161 119.800 0.040 0.000 2.152 181 Q HA -0.097 4.243 4.340 -0.000 0.000 0.206 181 Q C -0.125 175.905 176.000 0.050 0.000 0.985 181 Q CA 1.419 57.246 55.803 0.040 0.000 0.863 181 Q CB 0.132 28.883 28.738 0.022 0.000 0.904 181 Q HN 0.298 nan 8.270 nan 0.000 0.422 182 N N 1.213 119.935 118.700 0.037 0.000 2.421 182 N HA 0.225 4.965 4.740 -0.000 0.000 0.285 182 N C -1.010 174.523 175.510 0.040 0.000 1.027 182 N CA -0.289 52.783 53.050 0.037 0.000 0.918 182 N CB 1.335 39.825 38.487 0.006 0.000 1.152 182 N HN 0.252 nan 8.380 nan 0.000 0.485 183 N N 0.823 119.555 118.700 0.053 0.000 2.934 183 N HA 0.367 5.107 4.740 -0.000 0.000 0.253 183 N C -1.248 174.282 175.510 0.034 0.000 1.466 183 N CA -0.618 52.454 53.050 0.037 0.000 0.858 183 N CB 0.617 39.127 38.487 0.038 0.000 1.459 183 N HN 0.272 nan 8.380 nan 0.000 0.532 184 I N 0.425 120.999 120.570 0.008 0.000 2.496 184 I HA 0.128 4.298 4.170 -0.000 0.000 0.285 184 I C 0.950 177.041 176.117 -0.043 0.000 1.080 184 I CA -0.311 60.991 61.300 0.003 0.000 1.404 184 I CB 1.037 39.029 38.000 -0.013 0.000 1.403 184 I HN 0.558 nan 8.210 nan 0.000 0.539 185 T N 5.382 119.924 114.554 -0.019 0.000 2.853 185 T HA 0.113 4.462 4.350 -0.000 0.000 0.298 185 T C 0.913 175.523 174.700 -0.150 0.000 0.978 185 T CA -0.380 61.688 62.100 -0.054 0.000 1.152 185 T CB 0.551 69.427 68.868 0.014 0.000 0.914 185 T HN 0.392 nan 8.240 nan 0.000 0.539 186 V N 4.562 124.280 119.914 -0.326 0.000 3.541 186 V HA 0.083 4.203 4.120 -0.000 0.000 0.267 186 V C 2.175 178.124 176.094 -0.243 0.000 1.213 186 V CA 1.031 63.063 62.300 -0.446 0.000 1.149 186 V CB 0.072 31.238 31.823 -1.096 0.000 0.822 186 V HN 0.959 nan 8.190 nan 0.000 0.462 187 T N -0.775 113.715 114.554 -0.108 0.000 3.132 187 T HA 0.117 4.467 4.350 -0.000 0.000 0.274 187 T C 0.203 174.944 174.700 0.070 0.000 1.011 187 T CA -0.126 61.999 62.100 0.042 0.000 0.899 187 T CB -0.135 68.825 68.868 0.153 0.000 1.089 187 T HN 0.415 nan 8.240 nan 0.000 0.543 188 D N 0.915 121.346 120.400 0.051 0.000 2.500 188 D HA 0.207 4.846 4.640 -0.000 0.000 0.219 188 D C 0.463 176.823 176.300 0.100 0.000 1.137 188 D CA -0.419 53.630 54.000 0.082 0.000 0.946 188 D CB -0.676 40.187 40.800 0.106 0.000 1.022 188 D HN 0.163 nan 8.370 nan 0.000 0.518 189 C N 3.731 123.094 119.300 0.105 0.000 4.165 189 C HA -0.130 4.330 4.460 -0.000 0.000 0.299 189 C C 1.566 176.626 174.990 0.117 0.000 1.445 189 C CA 0.526 59.617 59.018 0.123 0.000 2.029 189 C CB -2.674 25.136 27.740 0.117 0.000 1.288 189 C HN 1.056 nan 8.230 nan 0.000 0.752 190 A N -1.376 121.501 122.820 0.095 0.000 2.945 190 A HA -0.188 4.132 4.320 -0.000 0.000 0.263 190 A C 1.014 178.607 177.584 0.015 0.000 1.293 190 A CA 1.926 53.997 52.037 0.057 0.000 0.944 190 A CB -2.041 17.008 19.000 0.081 0.000 1.093 190 A HN 2.374 nan 8.150 nan 0.000 0.786 191 S N -1.076 114.635 115.700 0.019 0.000 2.617 191 S HA 0.556 5.026 4.470 -0.000 0.000 0.259 191 S C -0.952 173.577 174.600 -0.118 0.000 1.301 191 S CA -0.421 57.757 58.200 -0.038 0.000 0.984 191 S CB 0.496 63.685 63.200 -0.018 0.000 0.954 191 S HN 0.152 nan 8.310 nan 0.000 0.572 192 P HA 0.214 nan 4.420 nan 0.000 0.229 192 P C 1.058 178.236 177.300 -0.203 0.000 1.160 192 P CA 1.265 64.244 63.100 -0.202 0.000 0.777 192 P CB -0.361 31.208 31.700 -0.219 0.000 0.814 193 G N -1.184 107.470 108.800 -0.243 0.000 2.217 193 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.246 193 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.246 193 G C 0.124 174.943 174.900 -0.135 0.000 0.990 193 G CA 0.148 45.175 45.100 -0.122 0.000 0.627 193 G HN 0.586 nan 8.290 nan 0.000 0.522 194 V N -1.253 118.479 119.914 -0.302 0.000 2.815 194 V HA 0.926 5.046 4.120 -0.000 0.000 0.314 194 V C -0.880 174.916 176.094 -0.498 0.000 1.064 194 V CA -1.563 60.611 62.300 -0.210 0.000 0.952 194 V CB 1.841 33.619 31.823 -0.075 0.000 1.020 194 V HN 0.491 nan 8.190 nan 0.000 0.439 195 Y N 4.652 124.926 120.300 -0.044 0.000 2.354 195 Y HA 0.696 5.246 4.550 -0.000 0.000 0.330 195 Y C -0.037 175.893 175.900 0.050 0.000 1.011 195 Y CA -0.595 57.445 58.100 -0.100 0.000 1.099 195 Y CB 2.006 40.240 38.460 -0.376 0.000 1.179 195 Y HN 0.607 nan 8.280 nan 0.000 0.442 196 I N 2.687 123.479 120.570 0.370 0.000 2.474 196 I HA 0.561 4.730 4.170 -0.000 0.000 0.294 196 I C -0.222 176.113 176.117 0.363 0.000 1.005 196 I CA -0.538 60.927 61.300 0.275 0.000 1.113 196 I CB 2.279 40.357 38.000 0.130 0.000 1.289 196 I HN 0.511 nan 8.210 nan 0.000 0.436 197 T N 4.726 119.413 114.554 0.223 0.000 2.906 197 T HA 0.504 4.854 4.350 -0.000 0.000 0.295 197 T C -1.079 173.659 174.700 0.062 0.000 1.061 197 T CA -0.629 61.582 62.100 0.185 0.000 1.000 197 T CB 2.051 71.038 68.868 0.199 0.000 1.103 197 T HN 0.525 nan 8.240 nan 0.000 0.486 198 Q N 1.912 121.720 119.800 0.013 0.000 2.285 198 Q HA 0.522 4.862 4.340 -0.000 0.000 0.269 198 Q C -1.187 174.793 176.000 -0.034 0.000 1.030 198 Q CA -0.944 54.843 55.803 -0.027 0.000 0.788 198 Q CB 2.760 31.455 28.738 -0.072 0.000 1.266 198 Q HN 0.352 nan 8.270 nan 0.000 0.438 199 K N 2.804 123.187 120.400 -0.028 0.000 2.468 199 K HA 0.217 4.536 4.320 -0.000 0.000 0.252 199 K C -1.334 175.246 176.600 -0.034 0.000 0.932 199 K CA -0.342 55.926 56.287 -0.032 0.000 0.794 199 K CB 1.313 33.801 32.500 -0.020 0.000 1.241 199 K HN 0.691 nan 8.250 nan 0.000 0.428 200 D N 1.686 122.062 120.400 -0.040 0.000 2.848 200 D HA -0.119 4.521 4.640 -0.000 0.000 0.245 200 D C -0.681 175.598 176.300 -0.036 0.000 1.122 200 D CA 0.560 54.538 54.000 -0.036 0.000 0.769 200 D CB -0.921 39.861 40.800 -0.030 0.000 1.025 200 D HN 0.230 nan 8.370 nan 0.000 0.423 201 V N 1.010 120.898 119.914 -0.043 0.000 2.394 201 V HA 0.627 4.747 4.120 -0.000 0.000 0.282 201 V C 0.678 176.754 176.094 -0.030 0.000 1.031 201 V CA 0.273 62.550 62.300 -0.038 0.000 0.881 201 V CB 1.843 33.634 31.823 -0.054 0.000 0.982 201 V HN 0.557 nan 8.190 nan 0.000 0.451 202 S N 3.938 119.627 115.700 -0.019 0.000 2.672 202 S HA 0.448 4.918 4.470 -0.000 0.000 0.271 202 S C 0.490 175.085 174.600 -0.008 0.000 1.171 202 S CA -0.870 57.321 58.200 -0.015 0.000 0.817 202 S CB 1.558 64.746 63.200 -0.020 0.000 1.150 202 S HN 0.458 nan 8.310 nan 0.000 0.478 203 K N 0.713 121.107 120.400 -0.010 0.000 2.089 203 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 203 K C 1.735 178.326 176.600 -0.015 0.000 1.048 203 K CA 1.965 58.244 56.287 -0.014 0.000 0.926 203 K CB -0.330 32.159 32.500 -0.019 0.000 0.714 203 K HN 0.509 nan 8.250 nan 0.000 0.448 204 K N -0.220 120.171 120.400 -0.015 0.000 2.166 204 K HA -0.012 4.308 4.320 -0.000 0.000 0.201 204 K C 0.929 177.523 176.600 -0.011 0.000 1.052 204 K CA 0.730 57.009 56.287 -0.014 0.000 0.969 204 K CB 0.468 32.959 32.500 -0.015 0.000 0.761 204 K HN 0.150 nan 8.250 nan 0.000 0.459 205 S N -1.171 114.522 115.700 -0.012 0.000 2.643 205 S HA 0.773 5.242 4.470 -0.000 0.000 0.270 205 S C -1.740 172.850 174.600 -0.016 0.000 1.166 205 S CA -0.866 57.326 58.200 -0.013 0.000 0.815 205 S CB 2.073 65.265 63.200 -0.013 0.000 1.139 205 S HN 0.054 nan 8.310 nan 0.000 0.472 206 A N 0.744 123.552 122.820 -0.020 0.000 2.540 206 A HA 0.670 4.990 4.320 -0.000 0.000 0.297 206 A C -2.107 175.465 177.584 -0.021 0.000 1.056 206 A CA -0.736 51.286 52.037 -0.026 0.000 0.700 206 A CB 1.284 20.264 19.000 -0.033 0.000 1.280 206 A HN 0.715 nan 8.150 nan 0.000 0.398 207 D N 2.202 122.592 120.400 -0.017 0.000 2.274 207 D HA 0.477 5.117 4.640 -0.000 0.000 0.239 207 D C -0.475 175.830 176.300 0.008 0.000 1.104 207 D CA 0.095 54.093 54.000 -0.004 0.000 0.840 207 D CB 1.454 42.247 40.800 -0.012 0.000 1.100 207 D HN 0.252 nan 8.370 nan 0.000 0.477 208 I N 1.989 122.585 120.570 0.042 0.000 2.362 208 I HA 0.212 4.382 4.170 -0.000 0.000 0.289 208 I C 0.507 176.703 176.117 0.131 0.000 0.994 208 I CA -0.498 60.841 61.300 0.066 0.000 1.158 208 I CB 1.322 39.346 38.000 0.039 0.000 1.315 208 I HN 0.061 nan 8.210 nan 0.000 0.451 209 T N 5.829 120.445 114.554 0.103 0.000 2.823 209 T HA 0.601 4.950 4.350 -0.000 0.000 0.279 209 T C -0.167 174.618 174.700 0.142 0.000 0.998 209 T CA -0.451 61.712 62.100 0.105 0.000 0.994 209 T CB 1.903 70.805 68.868 0.058 0.000 0.960 209 T HN 0.219 nan 8.240 nan 0.000 0.448 210 V N 4.138 124.151 119.914 0.166 0.000 2.350 210 V HA 0.440 4.560 4.120 -0.000 0.000 0.285 210 V C 0.157 176.335 176.094 0.140 0.000 1.014 210 V CA -0.902 61.502 62.300 0.174 0.000 0.831 210 V CB 1.309 33.279 31.823 0.245 0.000 1.000 210 V HN 0.693 nan 8.190 nan 0.000 0.433 211 K N 3.849 124.328 120.400 0.131 0.000 2.183 211 K HA 0.737 5.056 4.320 -0.000 0.000 0.274 211 K C -1.311 175.388 176.600 0.165 0.000 1.009 211 K CA -0.341 56.016 56.287 0.116 0.000 0.888 211 K CB 1.741 34.278 32.500 0.062 0.000 1.078 211 K HN 0.508 nan 8.250 nan 0.000 0.459 212 V N 4.037 124.048 119.914 0.162 0.000 2.735 212 V HA 0.363 4.482 4.120 -0.000 0.000 0.310 212 V C -0.782 175.422 176.094 0.183 0.000 1.061 212 V CA -1.000 61.402 62.300 0.170 0.000 0.913 212 V CB 1.957 33.880 31.823 0.167 0.000 1.005 212 V HN 0.715 nan 8.190 nan 0.000 0.428 213 K N 4.135 124.631 120.400 0.161 0.000 2.307 213 K HA 0.737 5.057 4.320 -0.000 0.000 0.263 213 K C -1.349 175.337 176.600 0.144 0.000 0.973 213 K CA -0.357 56.017 56.287 0.145 0.000 0.846 213 K CB 1.554 34.127 32.500 0.121 0.000 1.100 213 K HN 0.503 nan 8.250 nan 0.000 0.438 214 L N 2.070 123.407 121.223 0.189 0.000 2.346 214 L HA 0.465 4.805 4.340 -0.000 0.000 0.274 214 L C -0.780 176.181 176.870 0.151 0.000 1.007 214 L CA -0.857 54.090 54.840 0.179 0.000 0.818 214 L CB 1.930 44.142 42.059 0.254 0.000 1.284 214 L HN 0.584 nan 8.230 nan 0.000 0.424 215 D N 1.160 121.630 120.400 0.117 0.000 2.629 215 D HA 0.228 4.867 4.640 -0.000 0.000 0.250 215 D C -0.849 175.510 176.300 0.098 0.000 1.126 215 D CA -0.424 53.641 54.000 0.107 0.000 0.852 215 D CB 1.316 42.178 40.800 0.103 0.000 1.335 215 D HN 0.325 nan 8.370 nan 0.000 0.518 216 N N 2.856 121.611 118.700 0.092 0.000 2.501 216 N HA 0.353 5.092 4.740 -0.000 0.000 0.245 216 N C -0.258 175.289 175.510 0.062 0.000 0.974 216 N CA -0.479 52.614 53.050 0.071 0.000 0.941 216 N CB 1.514 40.042 38.487 0.069 0.000 1.122 216 N HN 0.413 nan 8.380 nan 0.000 0.507 217 A N 2.455 125.310 122.820 0.058 0.000 2.251 217 A HA 0.315 4.635 4.320 -0.000 0.000 0.209 217 A C 1.137 178.739 177.584 0.029 0.000 1.187 217 A CA 0.234 52.298 52.037 0.046 0.000 0.823 217 A CB -0.446 18.582 19.000 0.047 0.000 0.846 217 A HN 0.617 nan 8.150 nan 0.000 0.486 218 G N -1.162 107.655 108.800 0.028 0.000 2.553 218 G HA2 0.392 4.352 3.960 -0.000 0.000 0.278 218 G HA3 0.392 4.352 3.960 -0.000 0.000 0.278 218 G C 0.560 175.471 174.900 0.019 0.000 1.349 218 G CA -0.476 44.635 45.100 0.019 0.000 1.037 218 G HN 0.209 nan 8.290 nan 0.000 0.508 219 L N -0.480 120.751 121.223 0.014 0.000 2.640 219 L HA 0.254 4.594 4.340 -0.000 0.000 0.230 219 L C 0.342 177.222 176.870 0.016 0.000 1.123 219 L CA 0.300 55.149 54.840 0.014 0.000 0.900 219 L CB -0.026 42.039 42.059 0.010 0.000 1.146 219 L HN 0.315 nan 8.230 nan 0.000 0.484 220 Q N -0.497 119.312 119.800 0.016 0.000 2.421 220 Q HA 0.455 4.795 4.340 -0.000 0.000 0.280 220 Q C -2.529 173.482 176.000 0.019 0.000 1.085 220 Q CA -2.013 53.799 55.803 0.015 0.000 0.807 220 Q CB 1.742 30.486 28.738 0.009 0.000 1.405 220 Q HN -0.203 nan 8.270 nan 0.000 0.419 221 P HA 0.198 nan 4.420 nan 0.000 0.270 221 P C -1.265 176.038 177.300 0.005 0.000 1.227 221 P CA -0.006 63.111 63.100 0.028 0.000 0.788 221 P CB 0.473 32.194 31.700 0.036 0.000 0.926 222 A N 0.825 123.638 122.820 -0.012 0.000 2.398 222 A HA 0.667 4.987 4.320 -0.000 0.000 0.301 222 A C -0.560 176.955 177.584 -0.115 0.000 1.041 222 A CA -0.731 51.275 52.037 -0.051 0.000 0.711 222 A CB 1.162 20.133 19.000 -0.049 0.000 1.240 222 A HN 0.516 nan 8.150 nan 0.000 0.420 223 A N 1.757 124.508 122.820 -0.116 0.000 2.451 223 A HA 0.551 4.871 4.320 -0.000 0.000 0.266 223 A C 0.354 177.793 177.584 -0.241 0.000 1.119 223 A CA 0.522 52.457 52.037 -0.170 0.000 0.786 223 A CB -0.670 18.265 19.000 -0.109 0.000 1.061 223 A HN 2.202 nan 8.150 nan 0.000 0.503 224 V N -0.091 119.570 119.914 -0.422 0.000 3.188 224 V HA 0.888 5.008 4.120 -0.000 0.000 0.305 224 V C -0.368 175.405 176.094 -0.535 0.000 1.232 224 V CA -0.631 61.402 62.300 -0.445 0.000 1.043 224 V CB 1.700 33.231 31.823 -0.486 0.000 1.068 224 V HN 0.683 nan 8.190 nan 0.000 0.439 225 T N 3.226 117.584 114.554 -0.326 0.000 2.841 225 T HA 0.634 4.984 4.350 -0.000 0.000 0.285 225 T C -1.016 173.614 174.700 -0.117 0.000 0.991 225 T CA -0.198 61.777 62.100 -0.209 0.000 0.966 225 T CB 1.316 70.115 68.868 -0.115 0.000 0.962 225 T HN 0.929 nan 8.240 nan 0.000 0.438 226 L N 3.657 124.878 121.223 -0.003 0.000 2.264 226 L HA 0.516 4.856 4.340 -0.000 0.000 0.289 226 L C -0.165 176.708 176.870 0.004 0.000 1.044 226 L CA 0.058 54.918 54.840 0.033 0.000 0.807 226 L CB 0.508 42.623 42.059 0.094 0.000 1.192 226 L HN 0.598 nan 8.230 nan 0.000 0.425 227 E N 3.944 124.156 120.200 0.020 0.000 2.155 227 E HA 0.376 4.726 4.350 -0.000 0.000 0.264 227 E C -1.118 175.542 176.600 0.099 0.000 0.886 227 E CA -0.688 55.733 56.400 0.035 0.000 0.752 227 E CB 1.040 30.756 29.700 0.026 0.000 1.133 227 E HN 0.569 nan 8.360 nan 0.000 0.414 228 N N 1.752 120.554 118.700 0.171 0.000 2.372 228 N HA 0.410 5.149 4.740 -0.000 0.000 0.291 228 N C -1.071 174.618 175.510 0.298 0.000 1.024 228 N CA -0.305 52.899 53.050 0.256 0.000 0.873 228 N CB 2.100 40.809 38.487 0.370 0.000 1.206 228 N HN 0.222 nan 8.380 nan 0.000 0.486 229 T N 1.493 116.131 114.554 0.141 0.000 2.876 229 T HA 0.576 4.926 4.350 -0.000 0.000 0.289 229 T C 0.019 174.595 174.700 -0.206 0.000 1.014 229 T CA -0.454 61.627 62.100 -0.031 0.000 0.986 229 T CB 1.220 70.036 68.868 -0.088 0.000 1.021 229 T HN 0.220 nan 8.240 nan 0.000 0.458 230 I N 3.045 123.365 120.570 -0.417 0.000 2.362 230 I HA 0.419 4.589 4.170 -0.000 0.000 0.289 230 I C -0.892 175.078 176.117 -0.246 0.000 0.994 230 I CA -0.839 60.267 61.300 -0.323 0.000 1.158 230 I CB 1.010 38.706 38.000 -0.508 0.000 1.315 230 I HN 0.594 nan 8.210 nan 0.000 0.451 231 Y N 3.158 123.478 120.300 0.033 0.000 2.453 231 Y HA 0.383 4.933 4.550 -0.000 0.000 0.326 231 Y C 1.194 177.223 175.900 0.214 0.000 1.186 231 Y CA -0.685 57.470 58.100 0.092 0.000 1.200 231 Y CB 1.490 39.976 38.460 0.044 0.000 1.247 231 Y HN 0.533 nan 8.280 nan 0.000 0.482 232 T N -2.295 112.464 114.554 0.342 0.000 2.849 232 T HA 0.071 4.421 4.350 -0.000 0.000 0.284 232 T C 0.972 175.695 174.700 0.039 0.000 1.004 232 T CA -0.617 61.629 62.100 0.243 0.000 1.021 232 T CB 1.238 70.239 68.868 0.222 0.000 1.013 232 T HN 0.838 nan 8.240 nan 0.000 0.527 233 Q N 0.071 119.733 119.800 -0.230 0.000 2.197 233 Q HA -0.200 4.140 4.340 -0.000 0.000 0.207 233 Q C 1.322 177.226 176.000 -0.161 0.000 0.984 233 Q CA 1.971 57.530 55.803 -0.406 0.000 0.869 233 Q CB -0.164 28.034 28.738 -0.900 0.000 0.906 233 Q HN 0.850 nan 8.270 nan 0.000 0.426 234 E N -1.485 118.686 120.200 -0.048 0.000 2.476 234 E HA 0.179 4.529 4.350 -0.000 0.000 0.191 234 E C 0.718 177.331 176.600 0.023 0.000 1.064 234 E CA 0.565 56.960 56.400 -0.008 0.000 0.866 234 E CB 0.570 30.287 29.700 0.029 0.000 0.952 234 E HN 0.502 nan 8.360 nan 0.000 0.492 235 G N 0.311 109.140 108.800 0.049 0.000 2.157 235 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.239 235 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.239 235 G C 0.000 175.031 174.900 0.217 0.000 0.982 235 G CA -0.410 44.733 45.100 0.072 0.000 0.650 235 G HN 0.148 nan 8.290 nan 0.000 0.527 236 Q N 0.483 120.413 119.800 0.216 0.000 2.267 236 Q HA 0.326 4.666 4.340 -0.000 0.000 0.255 236 Q C 0.462 176.580 176.000 0.198 0.000 0.923 236 Q CA -0.360 55.563 55.803 0.201 0.000 0.925 236 Q CB 1.634 30.450 28.738 0.130 0.000 1.195 236 Q HN 0.516 nan 8.270 nan 0.000 0.417 237 K N 1.681 122.141 120.400 0.099 0.000 2.448 237 K HA 0.068 4.388 4.320 -0.000 0.000 0.278 237 K C 0.249 176.789 176.600 -0.099 0.000 1.009 237 K CA -0.085 56.081 56.287 -0.202 0.000 0.995 237 K CB 0.615 32.988 32.500 -0.212 0.000 0.917 237 K HN 0.355 nan 8.250 nan 0.000 0.481 238 V N 2.864 122.690 119.914 -0.146 0.000 2.599 238 V HA 0.247 4.367 4.120 -0.000 0.000 0.237 238 V C 0.862 176.937 176.094 -0.032 0.000 1.081 238 V CA 1.060 63.334 62.300 -0.043 0.000 1.107 238 V CB 0.637 32.446 31.823 -0.024 0.000 0.808 238 V HN 0.969 nan 8.190 nan 0.000 0.486 239 G N -0.803 107.965 108.800 -0.054 0.000 2.718 239 G HA2 0.590 4.550 3.960 -0.000 0.000 0.295 239 G HA3 0.590 4.550 3.960 -0.000 0.000 0.295 239 G C -1.280 173.729 174.900 0.182 0.000 1.421 239 G CA -0.214 44.958 45.100 0.120 0.000 0.902 239 G HN 0.058 nan 8.290 nan 0.000 0.501 240 T N 0.248 114.942 114.554 0.234 0.000 2.887 240 T HA 0.556 4.906 4.350 -0.000 0.000 0.288 240 T C -1.007 173.855 174.700 0.269 0.000 1.021 240 T CA -0.565 61.687 62.100 0.253 0.000 1.000 240 T CB 1.723 70.647 68.868 0.093 0.000 1.034 240 T HN 0.606 nan 8.240 nan 0.000 0.467 241 H N 0.756 119.905 119.070 0.132 0.000 2.529 241 H HA 0.633 5.189 4.556 -0.000 0.000 0.348 241 H C -1.302 174.033 175.328 0.011 0.000 1.079 241 H CA -0.406 55.605 56.048 -0.060 0.000 1.198 241 H CB 1.698 31.289 29.762 -0.285 0.000 1.521 241 H HN 0.607 nan 8.280 nan 0.000 0.514 242 S N 4.240 119.607 115.700 -0.554 0.000 2.526 242 S HA 0.564 5.034 4.470 -0.000 0.000 0.293 242 S C -1.069 173.255 174.600 -0.460 0.000 1.092 242 S CA -0.876 57.099 58.200 -0.376 0.000 0.980 242 S CB 1.265 64.370 63.200 -0.157 0.000 1.048 242 S HN 0.858 nan 8.310 nan 0.000 0.483 243 R N 2.178 122.541 120.500 -0.229 0.000 2.522 243 R HA 0.595 4.935 4.340 -0.000 0.000 0.283 243 R C -1.735 174.640 176.300 0.124 0.000 1.074 243 R CA -0.362 55.702 56.100 -0.059 0.000 0.925 243 R CB 1.469 31.739 30.300 -0.050 0.000 1.205 243 R HN 0.549 nan 8.270 nan 0.000 0.436 244 S N 4.188 119.968 115.700 0.133 0.000 2.472 244 S HA 0.818 5.288 4.470 -0.000 0.000 0.303 244 S C -1.173 173.557 174.600 0.216 0.000 1.099 244 S CA -0.487 57.751 58.200 0.062 0.000 1.077 244 S CB 0.839 64.027 63.200 -0.021 0.000 1.031 244 S HN 0.507 nan 8.310 nan 0.000 0.487 245 F N -0.930 118.979 119.950 -0.068 0.000 2.858 245 F HA 0.513 5.040 4.527 -0.000 0.000 0.319 245 F C -1.803 173.983 175.800 -0.024 0.000 1.166 245 F CA -1.250 56.733 58.000 -0.029 0.000 0.899 245 F CB 0.651 39.647 39.000 -0.007 0.000 1.332 245 F HN 0.219 nan 8.300 nan 0.000 0.461 246 D N 2.426 122.916 120.400 0.150 0.000 2.274 246 D HA 0.323 4.963 4.640 -0.000 0.000 0.239 246 D C -0.832 175.595 176.300 0.212 0.000 1.104 246 D CA -0.114 53.917 54.000 0.051 0.000 0.840 246 D CB 2.112 42.955 40.800 0.072 0.000 1.100 246 D HN 0.577 nan 8.370 nan 0.000 0.477 247 L N 2.751 124.010 121.223 0.060 0.000 2.369 247 L HA 0.110 4.449 4.340 -0.000 0.000 0.279 247 L C 0.348 177.313 176.870 0.158 0.000 1.108 247 L CA -0.070 54.901 54.840 0.220 0.000 0.852 247 L CB 0.659 42.777 42.059 0.099 0.000 1.169 247 L HN 0.179 nan 8.230 nan 0.000 0.452 248 S N 6.933 122.748 115.700 0.192 0.000 2.552 248 S HA 0.234 4.704 4.470 -0.000 0.000 0.289 248 S C -1.554 173.102 174.600 0.092 0.000 1.304 248 S CA -0.739 57.534 58.200 0.122 0.000 1.063 248 S CB 0.513 63.781 63.200 0.113 0.000 0.848 248 S HN 0.677 nan 8.310 nan 0.000 0.499 249 P HA 0.081 nan 4.420 nan 0.000 0.253 249 P C -0.569 176.760 177.300 0.049 0.000 1.260 249 P CA 0.383 63.515 63.100 0.053 0.000 0.800 249 P CB -0.016 31.707 31.700 0.038 0.000 1.162 250 Q N 0.888 120.718 119.800 0.050 0.000 2.560 250 Q HA 0.507 4.847 4.340 -0.000 0.000 0.238 250 Q C 0.219 176.241 176.000 0.038 0.000 1.079 250 Q CA -0.384 55.442 55.803 0.038 0.000 0.866 250 Q CB 1.118 29.874 28.738 0.030 0.000 1.153 250 Q HN 0.165 nan 8.270 nan 0.000 0.530 251 G N 1.355 110.179 108.800 0.040 0.000 2.705 251 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 251 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 251 G C -0.257 174.672 174.900 0.050 0.000 1.285 251 G CA -1.000 44.121 45.100 0.036 0.000 0.800 251 G HN 0.361 nan 8.290 nan 0.000 0.611 252 T N 3.247 117.829 114.554 0.048 0.000 2.932 252 T HA 0.466 4.816 4.350 -0.000 0.000 0.312 252 T C 0.503 175.230 174.700 0.045 0.000 1.071 252 T CA 0.218 62.355 62.100 0.061 0.000 1.128 252 T CB 0.919 69.819 68.868 0.053 0.000 0.984 252 T HN 0.612 nan 8.240 nan 0.000 0.549 253 Q N 0.903 120.750 119.800 0.079 0.000 2.445 253 Q HA 0.624 4.964 4.340 -0.000 0.000 0.281 253 Q C -0.733 175.273 176.000 0.010 0.000 1.101 253 Q CA -0.715 55.103 55.803 0.024 0.000 0.833 253 Q CB 2.187 31.004 28.738 0.131 0.000 1.416 253 Q HN 0.612 nan 8.270 nan 0.000 0.451 254 T N 1.077 115.496 114.554 -0.224 0.000 2.971 254 T HA 0.624 4.974 4.350 -0.000 0.000 0.304 254 T C -1.354 173.075 174.700 -0.451 0.000 1.038 254 T CA -0.442 61.556 62.100 -0.171 0.000 1.007 254 T CB 0.530 69.301 68.868 -0.162 0.000 1.055 254 T HN 0.305 nan 8.240 nan 0.000 0.451 255 Y N 1.694 121.958 120.300 -0.061 0.000 2.477 255 Y HA 0.630 5.180 4.550 -0.000 0.000 0.347 255 Y C -0.287 175.599 175.900 -0.023 0.000 0.981 255 Y CA -1.275 56.776 58.100 -0.082 0.000 1.033 255 Y CB 1.569 39.952 38.460 -0.127 0.000 1.245 255 Y HN 0.368 nan 8.280 nan 0.000 0.455 256 L N 2.711 123.989 121.223 0.091 0.000 2.307 256 L HA 0.616 4.955 4.340 -0.000 0.000 0.284 256 L C -0.344 176.525 176.870 -0.002 0.000 1.023 256 L CA -0.507 54.353 54.840 0.032 0.000 0.810 256 L CB 1.691 43.727 42.059 -0.039 0.000 1.231 256 L HN 0.622 nan 8.230 nan 0.000 0.423 257 S N 0.708 116.394 115.700 -0.023 0.000 2.621 257 S HA 0.630 5.100 4.470 -0.000 0.000 0.302 257 S C -0.336 174.085 174.600 -0.298 0.000 1.093 257 S CA -0.541 57.483 58.200 -0.295 0.000 1.017 257 S CB 2.148 65.311 63.200 -0.062 0.000 1.077 257 S HN 0.563 nan 8.310 nan 0.000 0.517 258 T N 2.301 116.489 114.554 -0.611 0.000 2.965 258 T HA 0.548 4.898 4.350 -0.000 0.000 0.306 258 T C -1.449 172.950 174.700 -0.502 0.000 0.991 258 T CA -0.273 61.609 62.100 -0.364 0.000 1.001 258 T CB 0.004 68.698 68.868 -0.291 0.000 0.984 258 T HN 0.381 nan 8.240 nan 0.000 0.446 259 F N 2.296 122.189 119.950 -0.094 0.000 2.492 259 F HA 0.649 5.176 4.527 -0.000 0.000 0.327 259 F C 0.547 176.300 175.800 -0.078 0.000 1.079 259 F CA -1.223 56.728 58.000 -0.081 0.000 0.967 259 F CB 1.361 40.313 39.000 -0.081 0.000 1.169 259 F HN -0.014 nan 8.300 nan 0.000 0.472 260 K N 3.270 123.734 120.400 0.107 0.000 2.464 260 K HA 0.389 4.709 4.320 -0.000 0.000 0.252 260 K C -1.382 175.236 176.600 0.031 0.000 1.000 260 K CA -0.715 55.595 56.287 0.039 0.000 0.951 260 K CB 0.812 33.315 32.500 0.005 0.000 1.183 260 K HN 0.462 nan 8.250 nan 0.000 0.445 261 L N 3.037 124.260 121.223 -0.001 0.000 2.331 261 L HA 0.335 4.675 4.340 -0.000 0.000 0.278 261 L C 0.577 177.440 176.870 -0.011 0.000 1.106 261 L CA 0.306 55.129 54.840 -0.029 0.000 0.824 261 L CB 0.708 42.710 42.059 -0.095 0.000 1.142 261 L HN 0.340 nan 8.230 nan 0.000 0.443 262 K N 3.649 124.049 120.400 0.000 0.000 2.265 262 K HA 0.272 4.592 4.320 -0.000 0.000 0.267 262 K C -0.305 176.300 176.600 0.007 0.000 0.994 262 K CA -0.409 55.879 56.287 0.003 0.000 0.860 262 K CB 0.291 32.794 32.500 0.005 0.000 1.099 262 K HN 0.649 nan 8.250 nan 0.000 0.448 263 N N 3.156 121.856 118.700 0.000 0.000 2.671 263 N HA -0.151 4.589 4.740 -0.000 0.000 0.261 263 N C -2.576 172.941 175.510 0.012 0.000 1.053 263 N CA -0.183 52.864 53.050 -0.005 0.000 0.732 263 N CB -0.564 37.916 38.487 -0.012 0.000 0.887 263 N HN 0.480 nan 8.380 nan 0.000 0.546 264 P HA -0.051 nan 4.420 nan 0.000 0.271 264 P C -0.592 176.767 177.300 0.099 0.000 1.218 264 P CA 0.349 63.505 63.100 0.095 0.000 0.780 264 P CB 0.558 32.299 31.700 0.070 0.000 0.901 265 H N 2.201 121.266 119.070 -0.010 0.000 3.015 265 H HA 0.243 4.799 4.556 -0.000 0.000 0.268 265 H C 0.156 175.440 175.328 -0.074 0.000 1.113 265 H CA -0.492 55.401 56.048 -0.259 0.000 1.479 265 H CB -0.359 28.849 29.762 -0.922 0.000 1.493 265 H HN 0.236 nan 8.280 nan 0.000 0.486 266 L N 4.432 125.772 121.223 0.195 0.000 2.464 266 L HA 0.018 4.358 4.340 -0.000 0.000 0.264 266 L C -0.014 177.073 176.870 0.361 0.000 1.199 266 L CA -0.243 54.748 54.840 0.252 0.000 0.818 266 L CB 0.580 42.724 42.059 0.141 0.000 1.102 266 L HN 0.673 nan 8.230 nan 0.000 0.473 267 W N 2.275 123.666 121.300 0.152 0.000 2.332 267 W HA 0.289 4.949 4.660 -0.000 0.000 0.306 267 W C 0.277 176.836 176.519 0.067 0.000 1.149 267 W CA -0.349 57.075 57.345 0.133 0.000 1.271 267 W CB 0.885 30.406 29.460 0.101 0.000 1.243 267 W HN 0.403 nan 8.180 nan 0.000 0.459 268 Q N 5.736 125.383 119.800 -0.255 0.000 2.211 268 Q HA 0.343 4.683 4.340 -0.000 0.000 0.301 268 Q C 0.759 176.491 176.000 -0.448 0.000 0.884 268 Q CA 0.546 56.216 55.803 -0.220 0.000 1.115 268 Q CB 0.248 28.952 28.738 -0.058 0.000 1.217 268 Q HN 0.832 nan 8.270 nan 0.000 0.451 269 G N 0.898 109.077 108.800 -1.035 0.000 2.547 269 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.271 269 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.271 269 G C 0.647 175.267 174.900 -0.466 0.000 1.209 269 G CA 0.201 44.838 45.100 -0.772 0.000 0.959 269 G HN 0.464 nan 8.290 nan 0.000 0.563 270 R N 0.857 121.290 120.500 -0.112 0.000 2.148 270 R HA 0.017 4.357 4.340 -0.000 0.000 0.223 270 R C 2.681 178.927 176.300 -0.090 0.000 1.088 270 R CA 1.545 57.588 56.100 -0.095 0.000 0.985 270 R CB -0.254 30.021 30.300 -0.041 0.000 0.880 270 R HN 0.638 nan 8.270 nan 0.000 0.451 271 K N 0.290 120.656 120.400 -0.055 0.000 2.057 271 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 271 K C 0.364 176.928 176.600 -0.060 0.000 1.049 271 K CA 1.185 57.447 56.287 -0.042 0.000 0.931 271 K CB 0.028 32.525 32.500 -0.005 0.000 0.714 271 K HN -0.015 nan 8.250 nan 0.000 0.440 272 D N -0.338 119.989 120.400 -0.122 0.000 2.668 272 D HA 0.120 4.760 4.640 -0.000 0.000 0.247 272 D C -2.701 173.463 176.300 -0.226 0.000 1.268 272 D CA -1.914 52.039 54.000 -0.077 0.000 0.842 272 D CB 1.056 41.889 40.800 0.054 0.000 1.399 272 D HN -0.138 nan 8.370 nan 0.000 0.530 273 P HA 0.069 nan 4.420 nan 0.000 0.225 273 P C -0.485 176.758 177.300 -0.096 0.000 1.768 273 P CA -0.286 62.478 63.100 -0.560 0.000 0.943 273 P CB -1.138 30.390 31.700 -0.287 0.000 1.936 274 Y N 1.819 122.053 120.300 -0.110 0.000 2.526 274 Y HA 0.162 4.712 4.550 -0.000 0.000 0.330 274 Y C -0.049 175.913 175.900 0.104 0.000 1.156 274 Y CA 0.330 58.357 58.100 -0.121 0.000 1.419 274 Y CB 0.396 38.602 38.460 -0.422 0.000 1.250 274 Y HN 0.055 nan 8.280 nan 0.000 0.540 275 L N 8.033 128.975 121.223 -0.469 0.000 2.372 275 L HA 0.317 4.656 4.340 -0.000 0.000 0.274 275 L C -1.042 175.601 176.870 -0.377 0.000 0.988 275 L CA -0.871 53.864 54.840 -0.175 0.000 0.833 275 L CB 1.018 43.033 42.059 -0.072 0.000 1.236 275 L HN 0.640 nan 8.230 nan 0.000 0.410 276 Y N 1.920 122.211 120.300 -0.015 0.000 2.299 276 Y HA 0.207 4.757 4.550 -0.000 0.000 0.335 276 Y C 0.518 176.410 175.900 -0.014 0.000 1.287 276 Y CA -0.064 58.051 58.100 0.025 0.000 1.424 276 Y CB 0.792 39.307 38.460 0.093 0.000 1.326 276 Y HN 0.397 nan 8.280 nan 0.000 0.567 277 K N 1.109 121.626 120.400 0.195 0.000 2.265 277 K HA 0.543 4.863 4.320 -0.000 0.000 0.267 277 K C -1.723 174.966 176.600 0.148 0.000 0.994 277 K CA -0.516 55.840 56.287 0.115 0.000 0.860 277 K CB 1.002 33.537 32.500 0.059 0.000 1.099 277 K HN 0.406 nan 8.250 nan 0.000 0.448 278 V N 4.875 124.829 119.914 0.067 0.000 2.370 278 V HA 0.320 4.440 4.120 -0.000 0.000 0.283 278 V C -0.511 175.619 176.094 0.061 0.000 1.023 278 V CA -0.840 61.482 62.300 0.037 0.000 0.857 278 V CB 1.524 33.334 31.823 -0.022 0.000 0.985 278 V HN 0.451 nan 8.190 nan 0.000 0.443 279 V N 4.096 124.082 119.914 0.119 0.000 2.448 279 V HA 0.414 4.534 4.120 -0.000 0.000 0.295 279 V C -0.293 175.864 176.094 0.106 0.000 1.025 279 V CA -0.451 61.917 62.300 0.113 0.000 0.859 279 V CB 1.756 33.692 31.823 0.187 0.000 0.988 279 V HN 0.953 nan 8.190 nan 0.000 0.431 280 C N 5.699 125.040 119.300 0.069 0.000 2.293 280 C HA 0.641 5.101 4.460 -0.000 0.000 0.323 280 C C 0.306 175.327 174.990 0.051 0.000 1.240 280 C CA -1.028 58.035 59.018 0.074 0.000 1.497 280 C CB 0.173 27.953 27.740 0.067 0.000 2.171 280 C HN 0.867 nan 8.230 nan 0.000 0.465 281 R N 2.247 122.780 120.500 0.055 0.000 2.445 281 R HA 0.645 4.984 4.340 -0.000 0.000 0.308 281 R C -0.877 175.435 176.300 0.019 0.000 0.961 281 R CA -0.713 55.406 56.100 0.032 0.000 0.862 281 R CB 1.441 31.761 30.300 0.033 0.000 1.144 281 R HN 0.540 nan 8.270 nan 0.000 0.447 282 L N 3.487 124.713 121.223 0.004 0.000 2.326 282 L HA 0.491 4.831 4.340 -0.000 0.000 0.278 282 L C -0.775 176.074 176.870 -0.035 0.000 1.092 282 L CA 0.324 55.153 54.840 -0.018 0.000 0.810 282 L CB 0.989 43.040 42.059 -0.014 0.000 1.153 282 L HN 0.624 nan 8.230 nan 0.000 0.439 283 M N 4.371 123.931 119.600 -0.066 0.000 2.550 283 M HA 0.777 5.256 4.480 -0.000 0.000 0.292 283 M C -1.089 175.155 176.300 -0.094 0.000 1.221 283 M CA -0.759 54.503 55.300 -0.063 0.000 0.873 283 M CB 2.355 34.926 32.600 -0.049 0.000 1.727 283 M HN 0.654 nan 8.290 nan 0.000 0.459 284 A N 1.324 124.101 122.820 -0.072 0.000 2.466 284 A HA 0.624 4.944 4.320 -0.000 0.000 0.284 284 A C -0.796 176.755 177.584 -0.055 0.000 1.049 284 A CA -0.356 51.633 52.037 -0.079 0.000 0.760 284 A CB 0.743 19.699 19.000 -0.073 0.000 1.274 284 A HN 0.955 nan 8.150 nan 0.000 0.412 285 D N 1.508 121.875 120.400 -0.055 0.000 2.988 285 D HA -0.112 4.528 4.640 -0.000 0.000 0.221 285 D C 1.142 177.423 176.300 -0.031 0.000 1.122 285 D CA 2.690 56.667 54.000 -0.038 0.000 0.821 285 D CB -1.069 39.714 40.800 -0.029 0.000 1.098 285 D HN 2.219 nan 8.370 nan 0.000 0.433 286 G N -0.079 108.699 108.800 -0.036 0.000 2.269 286 G HA2 -0.393 3.566 3.960 -0.000 0.000 0.277 286 G HA3 -0.393 3.566 3.960 -0.000 0.000 0.277 286 G C 0.231 175.120 174.900 -0.019 0.000 1.008 286 G CA 1.068 46.152 45.100 -0.026 0.000 0.774 286 G HN 0.460 nan 8.290 nan 0.000 0.511 287 K N -0.322 120.065 120.400 -0.022 0.000 2.244 287 K HA 0.547 4.867 4.320 -0.000 0.000 0.260 287 K C 0.108 176.698 176.600 -0.017 0.000 0.951 287 K CA -0.917 55.361 56.287 -0.015 0.000 0.826 287 K CB 2.875 35.367 32.500 -0.012 0.000 1.108 287 K HN 0.104 nan 8.250 nan 0.000 0.433 288 V N 5.808 125.716 119.914 -0.009 0.000 2.585 288 V HA 0.066 4.186 4.120 -0.000 0.000 0.296 288 V C 0.760 176.849 176.094 -0.008 0.000 1.035 288 V CA 0.481 62.776 62.300 -0.008 0.000 1.084 288 V CB 0.015 31.838 31.823 0.001 0.000 0.953 288 V HN 0.799 nan 8.190 nan 0.000 0.483 289 I N 1.724 122.288 120.570 -0.011 0.000 4.327 289 I HA 0.622 4.792 4.170 -0.000 0.000 0.331 289 I C -0.070 176.046 176.117 -0.002 0.000 1.348 289 I CA -0.031 61.265 61.300 -0.006 0.000 1.152 289 I CB 0.908 38.901 38.000 -0.012 0.000 1.151 289 I HN 0.552 nan 8.210 nan 0.000 0.410 290 D N 1.827 122.224 120.400 -0.005 0.000 2.769 290 D HA 0.299 4.939 4.640 -0.000 0.000 0.219 290 D C -1.562 174.734 176.300 -0.007 0.000 1.245 290 D CA -0.158 53.839 54.000 -0.006 0.000 0.801 290 D CB 2.008 42.805 40.800 -0.005 0.000 1.598 290 D HN 0.382 nan 8.370 nan 0.000 0.485 291 E N 1.104 121.295 120.200 -0.015 0.000 2.393 291 E HA 0.696 5.046 4.350 -0.000 0.000 0.273 291 E C -1.487 175.094 176.600 -0.032 0.000 0.918 291 E CA -0.878 55.514 56.400 -0.013 0.000 0.773 291 E CB 1.994 31.689 29.700 -0.009 0.000 1.275 291 E HN 0.130 nan 8.360 nan 0.000 0.451 292 V N 1.275 121.172 119.914 -0.029 0.000 2.686 292 V HA 0.354 4.474 4.120 -0.000 0.000 0.306 292 V C -0.895 175.175 176.094 -0.040 0.000 1.065 292 V CA -0.925 61.343 62.300 -0.053 0.000 0.894 292 V CB 1.914 33.696 31.823 -0.069 0.000 1.004 292 V HN 0.596 nan 8.190 nan 0.000 0.424 293 V N 5.385 125.266 119.914 -0.055 0.000 2.513 293 V HA 0.708 4.828 4.120 -0.000 0.000 0.299 293 V C -0.790 175.269 176.094 -0.058 0.000 1.035 293 V CA -0.032 62.242 62.300 -0.044 0.000 0.889 293 V CB 1.721 33.511 31.823 -0.055 0.000 0.988 293 V HN 0.930 nan 8.190 nan 0.000 0.440 294 Q N 6.574 126.347 119.800 -0.044 0.000 2.456 294 Q HA 0.574 4.914 4.340 -0.000 0.000 0.283 294 Q C -2.804 173.174 176.000 -0.036 0.000 1.084 294 Q CA -1.824 53.943 55.803 -0.060 0.000 0.801 294 Q CB 2.708 31.400 28.738 -0.077 0.000 1.434 294 Q HN 0.570 nan 8.270 nan 0.000 0.419 295 P HA 0.310 nan 4.420 nan 0.000 0.276 295 P C -0.929 176.363 177.300 -0.014 0.000 1.244 295 P CA -0.549 62.540 63.100 -0.018 0.000 0.801 295 P CB 0.856 32.546 31.700 -0.017 0.000 1.006 296 L N 0.972 122.216 121.223 0.035 0.000 2.439 296 L HA 0.704 5.043 4.340 -0.000 0.000 0.270 296 L C -0.708 176.226 176.870 0.106 0.000 0.972 296 L CA -0.311 54.553 54.840 0.040 0.000 0.836 296 L CB 1.499 43.587 42.059 0.047 0.000 1.255 296 L HN 0.511 nan 8.230 nan 0.000 0.404 297 G N 4.683 113.459 108.800 -0.041 0.000 2.588 297 G HA2 0.537 4.497 3.960 -0.000 0.000 0.312 297 G HA3 0.537 4.497 3.960 -0.000 0.000 0.312 297 G C -0.956 173.937 174.900 -0.011 0.000 1.257 297 G CA -0.491 44.577 45.100 -0.054 0.000 0.994 297 G HN 0.516 nan 8.290 nan 0.000 0.498 298 V N 4.709 124.746 119.914 0.205 0.000 2.446 298 V HA 0.556 4.676 4.120 -0.000 0.000 0.276 298 V C 0.367 176.519 176.094 0.098 0.000 1.030 298 V CA -0.226 62.142 62.300 0.113 0.000 1.033 298 V CB -0.097 31.823 31.823 0.162 0.000 0.993 298 V HN 0.973 nan 8.190 nan 0.000 0.477 299 R N 4.004 124.472 120.500 -0.054 0.000 2.728 299 R HA 0.511 4.851 4.340 -0.000 0.000 0.274 299 R C -1.976 174.178 176.300 -0.244 0.000 1.032 299 R CA -1.013 55.029 56.100 -0.098 0.000 0.866 299 R CB 1.554 31.829 30.300 -0.041 0.000 1.263 299 R HN 0.406 nan 8.270 nan 0.000 0.475 300 K N 1.627 121.900 120.400 -0.212 0.000 2.345 300 K HA 0.435 4.755 4.320 -0.000 0.000 0.255 300 K C -1.478 175.009 176.600 -0.187 0.000 0.934 300 K CA -0.599 55.571 56.287 -0.195 0.000 0.801 300 K CB 0.851 33.301 32.500 -0.083 0.000 1.137 300 K HN 0.530 nan 8.250 nan 0.000 0.424 301 Y N 1.404 121.672 120.300 -0.054 0.000 2.341 301 Y HA 0.405 4.955 4.550 -0.000 0.000 0.337 301 Y C 0.386 176.211 175.900 -0.126 0.000 1.014 301 Y CA -0.783 57.241 58.100 -0.127 0.000 1.111 301 Y CB 1.470 39.945 38.460 0.026 0.000 1.194 301 Y HN 0.487 nan 8.280 nan 0.000 0.462 302 E N 3.227 123.386 120.200 -0.068 0.000 2.292 302 E HA 0.561 4.911 4.350 -0.000 0.000 0.272 302 E C -1.641 174.910 176.600 -0.082 0.000 0.881 302 E CA -0.666 55.762 56.400 0.047 0.000 0.754 302 E CB 1.930 31.666 29.700 0.060 0.000 1.201 302 E HN 0.626 nan 8.360 nan 0.000 0.425 303 I N 3.220 123.815 120.570 0.041 0.000 2.404 303 I HA 0.308 4.478 4.170 -0.000 0.000 0.293 303 I C -0.742 175.429 176.117 0.090 0.000 0.992 303 I CA -0.874 60.400 61.300 -0.043 0.000 1.149 303 I CB 1.885 39.730 38.000 -0.258 0.000 1.315 303 I HN 0.221 nan 8.210 nan 0.000 0.446 304 V N 6.138 126.152 119.914 0.167 0.000 2.376 304 V HA 0.459 4.579 4.120 -0.000 0.000 0.287 304 V C 0.497 176.655 176.094 0.107 0.000 1.015 304 V CA -0.945 61.445 62.300 0.151 0.000 0.834 304 V CB 1.349 33.282 31.823 0.184 0.000 1.001 304 V HN 0.872 nan 8.190 nan 0.000 0.428 305 A N 3.870 126.732 122.820 0.070 0.000 2.603 305 A HA 0.428 4.748 4.320 -0.000 0.000 0.235 305 A C 1.682 179.315 177.584 0.082 0.000 1.035 305 A CA 1.226 53.287 52.037 0.039 0.000 0.755 305 A CB -0.487 18.569 19.000 0.093 0.000 0.954 305 A HN 2.228 nan 8.150 nan 0.000 0.511 306 G N 1.964 110.822 108.800 0.097 0.000 2.640 306 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.226 306 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.226 306 G C 1.143 176.103 174.900 0.100 0.000 1.222 306 G CA 0.884 46.081 45.100 0.162 0.000 0.729 306 G HN 0.800 nan 8.290 nan 0.000 0.516 307 K N 0.674 121.137 120.400 0.106 0.000 2.214 307 K HA 0.482 4.802 4.320 -0.000 0.000 0.201 307 K C 1.319 177.950 176.600 0.052 0.000 1.049 307 K CA 0.938 57.306 56.287 0.134 0.000 0.978 307 K CB 0.632 33.294 32.500 0.271 0.000 0.842 307 K HN 1.478 nan 8.250 nan 0.000 0.474 308 G N 0.981 109.794 108.800 0.023 0.000 2.315 308 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.296 308 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.296 308 G C -1.967 172.804 174.900 -0.215 0.000 1.289 308 G CA -0.960 44.054 45.100 -0.142 0.000 0.996 308 G HN 0.075 nan 8.290 nan 0.000 0.487 309 F N 0.556 120.209 119.950 -0.495 0.000 2.415 309 F HA 0.814 5.341 4.527 -0.000 0.000 0.348 309 F C -0.764 174.710 175.800 -0.544 0.000 1.119 309 F CA -1.147 56.632 58.000 -0.368 0.000 1.069 309 F CB 1.046 39.860 39.000 -0.310 0.000 1.124 309 F HN 0.312 nan 8.300 nan 0.000 0.472 310 F N 6.921 126.658 119.950 -0.356 0.000 2.467 310 F HA 0.474 5.001 4.527 -0.000 0.000 0.336 310 F C -0.899 174.800 175.800 -0.169 0.000 1.123 310 F CA -0.991 56.925 58.000 -0.140 0.000 0.964 310 F CB 1.679 40.619 39.000 -0.101 0.000 1.136 310 F HN 0.261 nan 8.300 nan 0.000 0.447 311 L N 5.588 126.912 121.223 0.169 0.000 2.294 311 L HA 0.487 4.827 4.340 -0.000 0.000 0.283 311 L C 0.132 177.074 176.870 0.120 0.000 1.015 311 L CA -0.338 54.590 54.840 0.148 0.000 0.831 311 L CB 0.277 42.354 42.059 0.030 0.000 1.217 311 L HN 0.642 nan 8.230 nan 0.000 0.420 312 N N 4.339 123.086 118.700 0.078 0.000 2.708 312 N HA -0.232 4.508 4.740 -0.000 0.000 0.249 312 N C 0.976 176.526 175.510 0.068 0.000 1.097 312 N CA 1.258 54.340 53.050 0.052 0.000 0.710 312 N CB -1.197 37.323 38.487 0.055 0.000 1.032 312 N HN 1.216 nan 8.380 nan 0.000 0.551 313 G N -0.807 108.053 108.800 0.100 0.000 2.317 313 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.227 313 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.227 313 G C -0.280 174.745 174.900 0.209 0.000 1.042 313 G CA 0.351 45.499 45.100 0.080 0.000 0.623 313 G HN 0.545 nan 8.290 nan 0.000 0.509 314 E N 1.680 122.017 120.200 0.229 0.000 2.259 314 E HA 0.449 4.798 4.350 -0.000 0.000 0.281 314 E C 0.227 177.016 176.600 0.314 0.000 1.027 314 E CA -0.625 55.935 56.400 0.266 0.000 0.838 314 E CB 1.678 31.478 29.700 0.165 0.000 1.066 314 E HN 0.402 nan 8.360 nan 0.000 0.401 315 K N 2.306 122.860 120.400 0.258 0.000 2.518 315 K HA -0.063 4.257 4.320 -0.000 0.000 0.276 315 K C -1.308 175.282 176.600 -0.016 0.000 0.974 315 K CA 0.607 56.775 56.287 -0.198 0.000 0.986 315 K CB 0.293 32.694 32.500 -0.166 0.000 0.901 315 K HN 0.545 nan 8.250 nan 0.000 0.497 316 Y N 1.538 121.695 120.300 -0.238 0.000 2.401 316 Y HA 0.191 4.741 4.550 -0.000 0.000 0.330 316 Y C -0.988 174.722 175.900 -0.317 0.000 1.071 316 Y CA -0.624 57.367 58.100 -0.181 0.000 1.049 316 Y CB 1.598 40.040 38.460 -0.029 0.000 1.239 316 Y HN 0.623 nan 8.280 nan 0.000 0.437 317 S N 6.358 121.612 115.700 -0.744 0.000 2.549 317 S HA 0.248 4.717 4.470 -0.000 0.000 0.286 317 S C -0.160 173.923 174.600 -0.862 0.000 1.314 317 S CA -0.055 57.612 58.200 -0.888 0.000 1.062 317 S CB 0.233 62.580 63.200 -1.421 0.000 0.865 317 S HN 0.515 nan 8.310 nan 0.000 0.498 318 M N 4.320 123.495 119.600 -0.708 0.000 2.480 318 M HA 0.238 4.718 4.480 -0.000 0.000 0.320 318 M C -1.605 174.335 176.300 -0.599 0.000 1.141 318 M CA -0.311 54.603 55.300 -0.643 0.000 1.102 318 M CB -0.141 32.119 32.600 -0.566 0.000 1.249 318 M HN 0.504 nan 8.290 nan 0.000 0.446 319 Y N 0.559 120.407 120.300 -0.752 0.000 2.518 319 Y HA 0.575 5.125 4.550 -0.000 0.000 0.344 319 Y C 1.114 176.368 175.900 -1.076 0.000 0.982 319 Y CA -1.157 56.222 58.100 -1.202 0.000 1.234 319 Y CB 0.379 37.448 38.460 -2.318 0.000 1.114 319 Y HN 0.566 nan 8.280 nan 0.000 0.515 320 G N 1.953 110.365 108.800 -0.645 0.000 2.388 320 G HA2 0.618 4.578 3.960 -0.000 0.000 0.330 320 G HA3 0.618 4.578 3.960 -0.000 0.000 0.330 320 G C -0.645 174.152 174.900 -0.171 0.000 1.142 320 G CA -0.671 44.078 45.100 -0.584 0.000 0.908 320 G HN 0.545 nan 8.290 nan 0.000 0.473 321 V N -0.597 119.289 119.914 -0.046 0.000 3.164 321 V HA 0.985 5.105 4.120 -0.000 0.000 0.313 321 V C 0.134 176.163 176.094 -0.108 0.000 1.188 321 V CA -0.516 61.737 62.300 -0.078 0.000 1.058 321 V CB 1.499 33.220 31.823 -0.171 0.000 1.110 321 V HN 1.039 nan 8.190 nan 0.000 0.453 322 T N -0.543 113.872 114.554 -0.232 0.000 2.907 322 T HA 0.838 5.188 4.350 -0.000 0.000 0.290 322 T C -0.632 173.821 174.700 -0.412 0.000 1.066 322 T CA -0.809 61.070 62.100 -0.369 0.000 1.012 322 T CB 2.053 70.763 68.868 -0.264 0.000 1.184 322 T HN 1.119 nan 8.240 nan 0.000 0.522 323 R N 1.124 121.360 120.500 -0.440 0.000 2.792 323 R HA 0.168 4.508 4.340 -0.000 0.000 0.285 323 R C -1.605 174.583 176.300 -0.185 0.000 1.207 323 R CA -0.339 55.672 56.100 -0.149 0.000 1.091 323 R CB 0.756 31.152 30.300 0.161 0.000 1.263 323 R HN 0.911 nan 8.270 nan 0.000 0.403 324 H N 2.334 121.283 119.070 -0.202 0.000 2.534 324 H HA 0.123 4.679 4.556 -0.000 0.000 0.364 324 H C 0.504 175.940 175.328 0.180 0.000 1.328 324 H CA 0.234 56.195 56.048 -0.145 0.000 1.415 324 H CB 1.330 30.846 29.762 -0.410 0.000 1.573 324 H HN 0.545 nan 8.280 nan 0.000 0.601 325 Q N 0.508 120.598 119.800 0.484 0.000 2.186 325 Q HA 0.149 4.489 4.340 -0.000 0.000 0.241 325 Q C -1.080 175.116 176.000 0.327 0.000 0.849 325 Q CA -0.706 55.352 55.803 0.426 0.000 1.053 325 Q CB 0.203 29.220 28.738 0.466 0.000 1.146 325 Q HN 0.424 nan 8.270 nan 0.000 0.475 326 D N -0.262 120.367 120.400 0.382 0.000 2.228 326 D HA 0.362 5.002 4.640 -0.000 0.000 0.247 326 D C -1.040 175.634 176.300 0.623 0.000 0.995 326 D CA -0.386 53.818 54.000 0.339 0.000 0.903 326 D CB 0.635 41.694 40.800 0.431 0.000 1.205 326 D HN 0.102 nan 8.370 nan 0.000 0.459 327 W N 0.226 121.485 121.300 -0.067 0.000 2.706 327 W HA 0.330 4.990 4.660 -0.000 0.000 0.346 327 W C 0.037 176.034 176.519 -0.870 0.000 1.071 327 W CA -1.457 55.697 57.345 -0.318 0.000 1.206 327 W CB 0.743 29.948 29.460 -0.426 0.000 1.413 327 W HN 0.341 nan 8.180 nan 0.000 0.542 328 W N 3.339 123.685 121.300 -1.591 0.000 2.343 328 W HA 0.254 4.914 4.660 -0.000 0.000 0.337 328 W C 1.025 177.245 176.519 -0.498 0.000 1.320 328 W CA 2.020 58.561 57.345 -1.339 0.000 1.290 328 W CB 0.352 29.276 29.460 -0.893 0.000 1.206 328 W HN 0.826 nan 8.180 nan 0.000 0.565 329 G N 3.887 112.021 108.800 -1.111 0.000 2.304 329 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.252 329 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.252 329 G C 0.325 174.951 174.900 -0.456 0.000 1.014 329 G CA 0.527 45.130 45.100 -0.827 0.000 0.619 329 G HN 0.508 nan 8.290 nan 0.000 0.525 330 L N 1.558 122.546 121.223 -0.392 0.000 2.554 330 L HA 0.493 4.833 4.340 -0.000 0.000 0.225 330 L C 2.306 178.937 176.870 -0.399 0.000 1.104 330 L CA 1.636 56.254 54.840 -0.369 0.000 0.866 330 L CB -0.990 40.790 42.059 -0.466 0.000 1.047 330 L HN 1.384 nan 8.230 nan 0.000 0.468 331 G N 0.461 109.016 108.800 -0.408 0.000 2.596 331 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.295 331 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.295 331 G C 0.794 175.232 174.900 -0.770 0.000 1.240 331 G CA 0.707 45.384 45.100 -0.705 0.000 0.985 331 G HN 0.475 nan 8.290 nan 0.000 0.555 332 S N -0.173 114.858 115.700 -1.115 0.000 2.614 332 S HA 0.621 5.091 4.470 -0.000 0.000 0.230 332 S C 0.908 175.383 174.600 -0.209 0.000 0.952 332 S CA 1.059 58.931 58.200 -0.547 0.000 0.949 332 S CB 0.649 63.489 63.200 -0.600 0.000 0.786 332 S HN 2.056 nan 8.310 nan 0.000 0.478 333 A N 2.310 124.959 122.820 -0.284 0.000 3.015 333 A HA 0.627 4.947 4.320 -0.000 0.000 0.293 333 A C 0.137 177.579 177.584 -0.237 0.000 1.572 333 A CA -0.639 51.303 52.037 -0.158 0.000 1.274 333 A CB -0.364 18.525 19.000 -0.184 0.000 1.156 333 A HN 0.611 nan 8.150 nan 0.000 0.562 334 L N 0.673 121.759 121.223 -0.228 0.000 2.387 334 L HA 0.542 4.882 4.340 -0.000 0.000 0.266 334 L C 0.331 177.088 176.870 -0.189 0.000 1.059 334 L CA -0.820 53.799 54.840 -0.368 0.000 0.801 334 L CB 1.268 42.966 42.059 -0.602 0.000 1.223 334 L HN 0.446 nan 8.230 nan 0.000 0.456 335 K N 0.385 120.776 120.400 -0.015 0.000 2.295 335 K HA 0.362 4.682 4.320 -0.000 0.000 0.239 335 K C 0.256 176.663 176.600 -0.321 0.000 0.991 335 K CA -0.784 55.390 56.287 -0.188 0.000 0.845 335 K CB 1.627 33.986 32.500 -0.235 0.000 1.197 335 K HN 0.470 nan 8.250 nan 0.000 0.441 336 N N 1.548 120.080 118.700 -0.281 0.000 2.060 336 N HA -0.256 4.484 4.740 -0.000 0.000 0.195 336 N C 1.197 176.609 175.510 -0.163 0.000 1.028 336 N CA 1.613 54.466 53.050 -0.328 0.000 0.861 336 N CB 0.010 38.033 38.487 -0.773 0.000 1.029 336 N HN 0.565 nan 8.380 nan 0.000 0.428 337 E N 1.108 121.148 120.200 -0.267 0.000 2.136 337 E HA -0.288 4.062 4.350 -0.000 0.000 0.208 337 E C 1.564 178.026 176.600 -0.230 0.000 1.035 337 E CA 1.798 58.051 56.400 -0.244 0.000 0.838 337 E CB -1.095 28.369 29.700 -0.393 0.000 0.748 337 E HN 0.691 nan 8.360 nan 0.000 0.459 338 H N 0.032 118.901 119.070 -0.335 0.000 2.326 338 H HA -0.027 4.529 4.556 -0.000 0.000 0.301 338 H C 2.335 177.625 175.328 -0.063 0.000 1.081 338 H CA 1.542 57.256 56.048 -0.556 0.000 1.334 338 H CB -0.157 28.862 29.762 -1.238 0.000 1.385 338 H HN 0.273 nan 8.280 nan 0.000 0.504 339 H N 0.632 119.807 119.070 0.176 0.000 2.353 339 H HA -0.115 4.441 4.556 -0.000 0.000 0.300 339 H C 1.563 177.101 175.328 0.349 0.000 1.090 339 H CA 1.336 57.556 56.048 0.288 0.000 1.327 339 H CB -0.169 29.780 29.762 0.312 0.000 1.383 339 H HN 0.475 nan 8.280 nan 0.000 0.508 340 D N 0.269 120.939 120.400 0.451 0.000 2.117 340 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 340 D C 2.121 178.632 176.300 0.351 0.000 0.987 340 D CA 0.616 54.833 54.000 0.361 0.000 0.829 340 D CB -0.603 40.373 40.800 0.294 0.000 0.961 340 D HN 0.277 nan 8.370 nan 0.000 0.460 341 F N 1.791 121.900 119.950 0.265 0.000 2.171 341 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 341 F C 1.752 177.766 175.800 0.357 0.000 1.090 341 F CA 1.182 59.367 58.000 0.307 0.000 1.293 341 F CB 0.204 39.445 39.000 0.402 0.000 1.013 341 F HN -0.220 nan 8.300 nan 0.000 0.486 342 D N 0.672 121.502 120.400 0.715 0.000 2.144 342 D HA -0.166 4.473 4.640 -0.000 0.000 0.199 342 D C 2.448 179.025 176.300 0.461 0.000 0.984 342 D CA 1.234 55.610 54.000 0.627 0.000 0.834 342 D CB -0.448 40.694 40.800 0.569 0.000 0.955 342 D HN 0.341 nan 8.370 nan 0.000 0.465 343 L N 0.571 122.013 121.223 0.364 0.000 2.093 343 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 343 L C 2.501 179.465 176.870 0.156 0.000 1.085 343 L CA 0.890 55.887 54.840 0.261 0.000 0.755 343 L CB -0.427 41.775 42.059 0.239 0.000 0.904 343 L HN -0.015 nan 8.230 nan 0.000 0.435 344 A N 0.278 123.158 122.820 0.101 0.000 1.883 344 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 344 A C 2.514 180.090 177.584 -0.013 0.000 1.186 344 A CA 2.009 54.047 52.037 0.002 0.000 0.624 344 A CB -0.695 18.244 19.000 -0.102 0.000 0.822 344 A HN 0.428 nan 8.150 nan 0.000 0.444 345 A N -0.394 122.416 122.820 -0.017 0.000 1.898 345 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 345 A C 2.149 179.785 177.584 0.087 0.000 1.181 345 A CA 1.491 53.555 52.037 0.044 0.000 0.620 345 A CB -0.570 18.506 19.000 0.126 0.000 0.819 345 A HN 0.500 nan 8.150 nan 0.000 0.442 346 I N -0.680 119.948 120.570 0.096 0.000 2.179 346 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 346 I C 2.662 178.790 176.117 0.018 0.000 1.088 346 I CA 1.124 62.447 61.300 0.038 0.000 1.357 346 I CB -0.282 37.758 38.000 0.067 0.000 1.051 346 I HN 0.274 nan 8.210 nan 0.000 0.409 347 M N -0.097 119.526 119.600 0.038 0.000 2.080 347 M HA -0.289 4.191 4.480 -0.000 0.000 0.260 347 M C 1.973 178.274 176.300 0.002 0.000 1.068 347 M CA 1.958 57.270 55.300 0.020 0.000 1.109 347 M CB -1.358 31.261 32.600 0.031 0.000 1.342 347 M HN 0.223 nan 8.290 nan 0.000 0.405 348 D N -0.187 120.219 120.400 0.011 0.000 2.219 348 D HA -0.104 4.536 4.640 -0.000 0.000 0.205 348 D C 1.859 178.118 176.300 -0.069 0.000 0.970 348 D CA 0.488 54.494 54.000 0.009 0.000 0.851 348 D CB 0.284 41.120 40.800 0.061 0.000 0.943 348 D HN 0.093 nan 8.370 nan 0.000 0.488 349 V N -0.643 119.184 119.914 -0.146 0.000 3.141 349 V HA 0.125 4.245 4.120 -0.000 0.000 0.265 349 V C 1.473 177.486 176.094 -0.136 0.000 1.126 349 V CA 1.491 63.546 62.300 -0.407 0.000 1.141 349 V CB -0.413 31.098 31.823 -0.520 0.000 0.743 349 V HN 0.522 nan 8.190 nan 0.000 0.492 350 G N -0.562 108.226 108.800 -0.020 0.000 2.141 350 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.231 350 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.231 350 G C 0.331 175.260 174.900 0.049 0.000 0.984 350 G CA 0.244 45.375 45.100 0.052 0.000 0.660 350 G HN 1.482 nan 8.290 nan 0.000 0.525 351 A N -0.080 122.756 122.820 0.028 0.000 2.507 351 A HA 0.644 4.964 4.320 -0.000 0.000 0.235 351 A C 1.554 179.012 177.584 -0.210 0.000 1.070 351 A CA 1.790 53.714 52.037 -0.188 0.000 0.768 351 A CB 0.317 19.257 19.000 -0.100 0.000 1.011 351 A HN 1.684 nan 8.150 nan 0.000 0.502 352 T N -2.269 112.095 114.554 -0.318 0.000 2.958 352 T HA 0.341 4.691 4.350 -0.000 0.000 0.256 352 T C 0.469 175.086 174.700 -0.139 0.000 0.983 352 T CA 0.728 62.702 62.100 -0.209 0.000 0.924 352 T CB 0.018 68.700 68.868 -0.311 0.000 1.136 352 T HN 0.919 nan 8.240 nan 0.000 0.506 353 T N 1.145 115.576 114.554 -0.205 0.000 2.909 353 T HA 0.664 5.014 4.350 -0.000 0.000 0.299 353 T C -1.885 172.826 174.700 0.018 0.000 1.073 353 T CA -0.445 61.605 62.100 -0.083 0.000 0.999 353 T CB 1.926 70.688 68.868 -0.176 0.000 1.098 353 T HN 0.117 nan 8.240 nan 0.000 0.477 354 V N 4.432 124.381 119.914 0.059 0.000 2.709 354 V HA 0.595 4.715 4.120 -0.000 0.000 0.308 354 V C -0.103 175.758 176.094 -0.388 0.000 1.062 354 V CA -1.115 61.064 62.300 -0.202 0.000 0.901 354 V CB 1.852 33.299 31.823 -0.626 0.000 1.003 354 V HN 0.880 nan 8.190 nan 0.000 0.425 355 R N 3.605 123.691 120.500 -0.690 0.000 2.230 355 R HA 0.388 4.728 4.340 -0.000 0.000 0.337 355 R C -1.035 174.776 176.300 -0.816 0.000 1.063 355 R CA -0.433 54.993 56.100 -1.123 0.000 0.935 355 R CB 0.141 29.316 30.300 -1.876 0.000 1.121 355 R HN 0.620 nan 8.270 nan 0.000 0.486 356 F N 4.148 123.892 119.950 -0.343 0.000 2.662 356 F HA 0.205 4.732 4.527 -0.000 0.000 0.365 356 F C 1.138 176.662 175.800 -0.459 0.000 1.222 356 F CA -0.246 57.593 58.000 -0.269 0.000 1.315 356 F CB 0.122 39.138 39.000 0.026 0.000 1.711 356 F HN 0.567 nan 8.300 nan 0.000 0.651 357 A N 0.687 123.148 122.820 -0.598 0.000 2.425 357 A HA 0.140 4.460 4.320 -0.000 0.000 0.242 357 A C 0.571 177.347 177.584 -1.347 0.000 1.077 357 A CA -0.195 51.325 52.037 -0.862 0.000 0.781 357 A CB 0.218 18.502 19.000 -1.194 0.000 1.020 357 A HN 0.600 nan 8.150 nan 0.000 0.494 358 H N 0.590 118.884 119.070 -1.293 0.000 2.467 358 H HA 0.303 4.859 4.556 -0.000 0.000 0.275 358 H C -1.425 173.723 175.328 -0.300 0.000 1.131 358 H CA 0.309 56.070 56.048 -0.478 0.000 0.989 358 H CB -0.065 29.656 29.762 -0.068 0.000 1.696 358 H HN 0.686 nan 8.280 nan 0.000 0.574 359 Y N -2.317 117.952 120.300 -0.051 0.000 2.677 359 Y HA 0.252 4.802 4.550 -0.000 0.000 0.334 359 Y C -0.264 175.676 175.900 0.067 0.000 1.196 359 Y CA -1.518 56.509 58.100 -0.122 0.000 1.059 359 Y CB 0.493 38.470 38.460 -0.805 0.000 1.315 359 Y HN -0.120 nan 8.280 nan 0.000 0.455 360 Q N 1.713 121.780 119.800 0.445 0.000 2.304 360 Q HA 0.174 4.514 4.340 -0.000 0.000 0.301 360 Q C -0.699 175.574 176.000 0.455 0.000 1.063 360 Q CA 0.472 56.556 55.803 0.468 0.000 0.947 360 Q CB 0.721 29.715 28.738 0.427 0.000 1.201 360 Q HN 0.784 nan 8.270 nan 0.000 0.389 361 Q N 1.118 121.024 119.800 0.177 0.000 2.990 361 Q HA 0.367 4.707 4.340 -0.000 0.000 0.255 361 Q C -0.834 174.881 176.000 -0.476 0.000 1.040 361 Q CA -0.817 54.933 55.803 -0.088 0.000 0.897 361 Q CB 1.609 30.242 28.738 -0.176 0.000 1.429 361 Q HN 0.706 nan 8.270 nan 0.000 0.497 362 S N 0.003 115.389 115.700 -0.523 0.000 2.564 362 S HA -0.045 4.424 4.470 -0.000 0.000 0.278 362 S C 0.373 174.612 174.600 -0.602 0.000 1.333 362 S CA 0.004 57.925 58.200 -0.464 0.000 1.048 362 S CB 0.578 63.457 63.200 -0.534 0.000 0.900 362 S HN 0.643 nan 8.310 nan 0.000 0.505 363 D N 2.144 122.375 120.400 -0.282 0.000 2.183 363 D HA -0.103 4.537 4.640 -0.000 0.000 0.203 363 D C 1.505 177.749 176.300 -0.093 0.000 0.969 363 D CA 1.285 55.200 54.000 -0.140 0.000 0.842 363 D CB -0.220 40.610 40.800 0.051 0.000 0.957 363 D HN 0.774 nan 8.370 nan 0.000 0.484 364 Y N 0.429 120.619 120.300 -0.185 0.000 2.181 364 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 364 Y C 1.964 177.759 175.900 -0.174 0.000 1.146 364 Y CA 1.437 59.465 58.100 -0.120 0.000 1.164 364 Y CB -0.436 37.980 38.460 -0.073 0.000 0.982 364 Y HN 0.075 nan 8.280 nan 0.000 0.515 365 L N -0.491 120.549 121.223 -0.305 0.000 1.956 365 L HA -0.303 4.037 4.340 -0.000 0.000 0.216 365 L C 2.189 178.875 176.870 -0.307 0.000 1.073 365 L CA 2.058 56.669 54.840 -0.383 0.000 0.762 365 L CB -1.200 40.505 42.059 -0.591 0.000 0.889 365 L HN 0.255 nan 8.230 nan 0.000 0.433 366 Y N -0.315 119.705 120.300 -0.466 0.000 2.151 366 Y HA -0.281 4.269 4.550 -0.000 0.000 0.284 366 Y C 3.129 178.671 175.900 -0.596 0.000 1.166 366 Y CA 1.244 59.007 58.100 -0.562 0.000 1.163 366 Y CB -1.581 36.404 38.460 -0.793 0.000 0.974 366 Y HN 0.436 nan 8.280 nan 0.000 0.511 367 S N 0.103 115.587 115.700 -0.361 0.000 2.359 367 S HA -0.210 4.260 4.470 -0.000 0.000 0.222 367 S C 2.255 176.785 174.600 -0.117 0.000 1.038 367 S CA 1.328 59.460 58.200 -0.113 0.000 1.051 367 S CB -0.084 63.120 63.200 0.007 0.000 0.944 367 S HN 0.345 nan 8.310 nan 0.000 0.433 368 R N 0.326 120.666 120.500 -0.268 0.000 2.159 368 R HA -0.057 4.283 4.340 -0.000 0.000 0.237 368 R C 2.521 178.813 176.300 -0.014 0.000 1.131 368 R CA 1.242 57.219 56.100 -0.205 0.000 0.982 368 R CB -1.662 28.423 30.300 -0.359 0.000 0.868 368 R HN 0.528 nan 8.270 nan 0.000 0.453 369 C N 1.063 120.386 119.300 0.038 0.000 2.432 369 C HA -0.094 4.366 4.460 -0.000 0.000 0.277 369 C C 2.130 177.261 174.990 0.235 0.000 1.249 369 C CA 0.586 59.701 59.018 0.161 0.000 1.725 369 C CB -0.794 27.075 27.740 0.214 0.000 2.028 369 C HN 0.464 nan 8.230 nan 0.000 0.477 370 D N 0.492 121.000 120.400 0.180 0.000 2.172 370 D HA -0.134 4.505 4.640 -0.000 0.000 0.196 370 D C 2.101 178.657 176.300 0.427 0.000 0.999 370 D CA 1.870 56.027 54.000 0.262 0.000 0.856 370 D CB -0.620 40.258 40.800 0.129 0.000 0.934 370 D HN 0.467 nan 8.370 nan 0.000 0.453 371 T N 0.347 115.033 114.554 0.220 0.000 2.937 371 T HA 0.076 4.426 4.350 -0.000 0.000 0.260 371 T C 2.115 176.886 174.700 0.118 0.000 1.051 371 T CA 0.239 62.426 62.100 0.146 0.000 1.141 371 T CB 0.107 69.005 68.868 0.049 0.000 0.879 371 T HN 0.094 nan 8.240 nan 0.000 0.459 372 L N 0.055 121.352 121.223 0.123 0.000 2.375 372 L HA 0.270 4.610 4.340 -0.000 0.000 0.215 372 L C 1.997 178.894 176.870 0.046 0.000 1.108 372 L CA 0.608 55.493 54.840 0.074 0.000 0.830 372 L CB -0.137 41.970 42.059 0.081 0.000 0.959 372 L HN 0.493 nan 8.230 nan 0.000 0.457 373 G N -0.397 108.480 108.800 0.129 0.000 2.159 373 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.227 373 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.227 373 G C 0.008 174.972 174.900 0.107 0.000 0.986 373 G CA -0.512 44.548 45.100 -0.067 0.000 0.651 373 G HN 0.030 nan 8.290 nan 0.000 0.523 374 L N 0.849 122.206 121.223 0.224 0.000 2.461 374 L HA 0.503 4.843 4.340 -0.000 0.000 0.272 374 L C 1.054 178.118 176.870 0.323 0.000 1.197 374 L CA -0.259 54.703 54.840 0.203 0.000 0.836 374 L CB 0.786 42.948 42.059 0.172 0.000 1.105 374 L HN 0.206 nan 8.230 nan 0.000 0.477 375 I N 4.712 125.404 120.570 0.203 0.000 2.339 375 I HA 0.396 4.565 4.170 -0.000 0.000 0.290 375 I C 0.052 176.274 176.117 0.176 0.000 0.994 375 I CA -0.425 60.985 61.300 0.182 0.000 1.191 375 I CB 1.080 39.035 38.000 -0.074 0.000 1.343 375 I HN 0.512 nan 8.210 nan 0.000 0.458 376 I N 3.063 123.770 120.570 0.228 0.000 2.892 376 I HA 0.628 4.798 4.170 -0.000 0.000 0.306 376 I C -1.417 174.764 176.117 0.107 0.000 1.078 376 I CA -0.654 60.767 61.300 0.201 0.000 1.032 376 I CB 2.426 40.595 38.000 0.282 0.000 1.229 376 I HN 0.604 nan 8.210 nan 0.000 0.435 377 W N 5.063 126.245 121.300 -0.198 0.000 2.587 377 W HA 0.860 5.520 4.660 -0.000 0.000 0.324 377 W C -1.645 174.746 176.519 -0.212 0.000 1.040 377 W CA -1.744 55.353 57.345 -0.413 0.000 1.222 377 W CB 1.485 30.641 29.460 -0.507 0.000 1.381 377 W HN 0.834 nan 8.180 nan 0.000 0.483 378 A N 4.469 127.419 122.820 0.217 0.000 2.386 378 A HA 0.714 5.034 4.320 -0.000 0.000 0.311 378 A C -1.401 176.413 177.584 0.384 0.000 1.068 378 A CA -0.638 51.585 52.037 0.310 0.000 0.743 378 A CB 1.902 20.966 19.000 0.107 0.000 1.258 378 A HN 0.696 nan 8.150 nan 0.000 0.429 379 E N 1.126 121.561 120.200 0.392 0.000 2.340 379 E HA 0.610 4.959 4.350 -0.000 0.000 0.273 379 E C -1.111 175.653 176.600 0.272 0.000 0.891 379 E CA -0.696 55.908 56.400 0.340 0.000 0.757 379 E CB 1.761 31.691 29.700 0.384 0.000 1.231 379 E HN 0.741 nan 8.360 nan 0.000 0.439 380 I N 0.167 120.881 120.570 0.240 0.000 2.566 380 I HA 0.532 4.702 4.170 -0.000 0.000 0.303 380 I C -2.057 174.206 176.117 0.243 0.000 0.983 380 I CA -2.462 58.976 61.300 0.230 0.000 1.235 380 I CB 1.665 39.777 38.000 0.187 0.000 1.386 380 I HN 0.342 nan 8.210 nan 0.000 0.494 381 P HA 0.041 nan 4.420 nan 0.000 0.246 381 P C -0.047 177.404 177.300 0.252 0.000 1.686 381 P CA -0.049 63.243 63.100 0.320 0.000 0.867 381 P CB -0.608 31.311 31.700 0.365 0.000 1.733 382 C N 2.163 121.587 119.300 0.207 0.000 2.289 382 C HA 0.511 4.971 4.460 -0.000 0.000 0.340 382 C C 0.265 175.324 174.990 0.115 0.000 1.152 382 C CA -0.180 58.933 59.018 0.158 0.000 1.650 382 C CB -1.833 26.003 27.740 0.161 0.000 2.203 382 C HN 0.362 nan 8.230 nan 0.000 0.511 383 V N 4.961 124.911 119.914 0.060 0.000 3.167 383 V HA 0.602 4.722 4.120 -0.000 0.000 0.293 383 V C 0.130 176.196 176.094 -0.047 0.000 1.379 383 V CA -0.020 62.272 62.300 -0.013 0.000 1.019 383 V CB 1.212 33.024 31.823 -0.019 0.000 1.115 383 V HN 0.923 nan 8.190 nan 0.000 0.442 384 N N 0.646 119.289 118.700 -0.096 0.000 1.712 384 N HA -0.173 4.567 4.740 -0.000 0.000 0.212 384 N C 0.058 175.548 175.510 -0.034 0.000 0.853 384 N CA 1.937 54.956 53.050 -0.053 0.000 4.255 384 N CB -0.456 38.024 38.487 -0.012 0.000 0.684 384 N HN 0.891 nan 8.380 nan 0.000 0.241 385 R N 0.746 121.233 120.500 -0.022 0.000 2.771 385 R HA 0.560 4.900 4.340 -0.000 0.000 0.274 385 R C -0.432 175.867 176.300 -0.002 0.000 0.987 385 R CA -0.409 55.692 56.100 0.002 0.000 0.908 385 R CB 1.942 32.258 30.300 0.028 0.000 1.213 385 R HN 0.166 nan 8.270 nan 0.000 0.468 386 V N -1.773 118.143 119.914 0.004 0.000 2.769 386 V HA 0.656 4.776 4.120 -0.000 0.000 0.312 386 V C 0.918 176.968 176.094 -0.075 0.000 1.058 386 V CA -0.343 61.961 62.300 0.006 0.000 0.952 386 V CB 1.700 33.577 31.823 0.089 0.000 1.019 386 V HN 0.993 nan 8.190 nan 0.000 0.445 387 T N -2.236 112.239 114.554 -0.131 0.000 2.955 387 T HA 0.456 4.806 4.350 -0.000 0.000 0.251 387 T C 1.447 175.863 174.700 -0.474 0.000 1.002 387 T CA 1.085 63.090 62.100 -0.158 0.000 0.970 387 T CB 0.488 69.370 68.868 0.023 0.000 1.091 387 T HN 2.395 nan 8.240 nan 0.000 0.495 388 G N 0.776 109.135 108.800 -0.736 0.000 2.176 388 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.232 388 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.232 388 G C 0.187 174.621 174.900 -0.776 0.000 0.986 388 G CA 0.221 44.522 45.100 -1.332 0.000 0.643 388 G HN 0.559 nan 8.290 nan 0.000 0.522 389 Y N 0.397 120.645 120.300 -0.087 0.000 2.641 389 Y HA 0.330 4.880 4.550 -0.000 0.000 0.248 389 Y C 1.637 177.573 175.900 0.060 0.000 1.170 389 Y CA 0.069 58.176 58.100 0.011 0.000 1.201 389 Y CB 0.660 39.113 38.460 -0.011 0.000 1.232 389 Y HN 0.422 nan 8.280 nan 0.000 0.537 390 E N -1.503 118.818 120.200 0.201 0.000 2.501 390 E HA 0.105 4.455 4.350 -0.000 0.000 0.200 390 E C 0.635 177.335 176.600 0.166 0.000 1.016 390 E CA 0.304 56.806 56.400 0.170 0.000 0.921 390 E CB -0.114 29.675 29.700 0.148 0.000 1.034 390 E HN 0.137 nan 8.360 nan 0.000 0.468 391 T N 2.036 116.706 114.554 0.193 0.000 2.708 391 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 391 T C 1.471 176.223 174.700 0.086 0.000 1.037 391 T CA 1.819 63.998 62.100 0.132 0.000 1.146 391 T CB -0.031 68.905 68.868 0.113 0.000 0.865 391 T HN 0.341 nan 8.240 nan 0.000 0.435 392 E N 1.056 121.307 120.200 0.085 0.000 2.085 392 E HA -0.150 4.199 4.350 -0.000 0.000 0.194 392 E C 2.306 178.935 176.600 0.047 0.000 0.994 392 E CA 0.850 57.284 56.400 0.056 0.000 0.801 392 E CB -0.171 29.560 29.700 0.052 0.000 0.743 392 E HN 0.450 nan 8.360 nan 0.000 0.453 393 N N 0.691 119.425 118.700 0.057 0.000 2.171 393 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 393 N C 1.956 177.503 175.510 0.061 0.000 1.021 393 N CA 1.119 54.196 53.050 0.044 0.000 0.854 393 N CB 0.006 38.522 38.487 0.048 0.000 0.994 393 N HN 0.099 nan 8.380 nan 0.000 0.426 394 A N 1.116 123.985 122.820 0.082 0.000 1.917 394 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 394 A C 2.165 179.789 177.584 0.066 0.000 1.182 394 A CA 1.505 53.596 52.037 0.090 0.000 0.633 394 A CB -0.718 18.341 19.000 0.098 0.000 0.819 394 A HN 0.514 nan 8.150 nan 0.000 0.448 395 Q N -1.146 118.682 119.800 0.047 0.000 2.079 395 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 395 Q C 2.468 178.480 176.000 0.019 0.000 0.974 395 Q CA 1.441 57.258 55.803 0.024 0.000 0.840 395 Q CB -0.223 28.525 28.738 0.016 0.000 0.898 395 Q HN 0.646 nan 8.270 nan 0.000 0.430 396 S N 0.362 116.079 115.700 0.028 0.000 2.368 396 S HA -0.204 4.266 4.470 -0.000 0.000 0.225 396 S C 1.883 176.517 174.600 0.056 0.000 1.030 396 S CA 1.291 59.510 58.200 0.030 0.000 0.999 396 S CB -0.001 63.208 63.200 0.015 0.000 0.844 396 S HN 0.334 nan 8.310 nan 0.000 0.459 397 Q N -0.175 119.670 119.800 0.075 0.000 2.079 397 Q HA -0.065 4.274 4.340 -0.000 0.000 0.200 397 Q C 2.163 178.215 176.000 0.087 0.000 0.974 397 Q CA 1.167 57.044 55.803 0.125 0.000 0.840 397 Q CB -0.293 28.547 28.738 0.169 0.000 0.898 397 Q HN 0.417 nan 8.270 nan 0.000 0.430 398 L N 1.419 122.665 121.223 0.039 0.000 2.012 398 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 398 L C 2.406 179.205 176.870 -0.119 0.000 1.073 398 L CA 2.068 56.883 54.840 -0.043 0.000 0.748 398 L CB -0.656 41.374 42.059 -0.049 0.000 0.891 398 L HN 0.100 nan 8.230 nan 0.000 0.431 399 R N -0.415 120.045 120.500 -0.067 0.000 2.081 399 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 399 R C 2.098 178.377 176.300 -0.034 0.000 1.131 399 R CA 1.884 57.940 56.100 -0.073 0.000 0.960 399 R CB -0.384 29.896 30.300 -0.034 0.000 0.856 399 R HN 0.529 nan 8.270 nan 0.000 0.436 400 E N 0.283 120.504 120.200 0.035 0.000 2.106 400 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 400 E C 1.935 178.585 176.600 0.083 0.000 0.984 400 E CA 1.182 57.639 56.400 0.094 0.000 0.806 400 E CB -0.171 29.634 29.700 0.175 0.000 0.750 400 E HN 0.292 nan 8.360 nan 0.000 0.458 401 L N 1.094 122.345 121.223 0.046 0.000 2.042 401 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 401 L C 1.923 178.737 176.870 -0.093 0.000 1.076 401 L CA 1.681 56.555 54.840 0.057 0.000 0.749 401 L CB -0.242 41.846 42.059 0.048 0.000 0.893 401 L HN 0.096 nan 8.230 nan 0.000 0.432 402 I N -0.912 119.444 120.570 -0.356 0.000 2.233 402 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 402 I C 2.677 178.841 176.117 0.077 0.000 1.093 402 I CA 1.031 62.029 61.300 -0.504 0.000 1.380 402 I CB -0.339 37.284 38.000 -0.629 0.000 1.067 402 I HN 0.219 nan 8.210 nan 0.000 0.413 403 R N 0.623 121.191 120.500 0.113 0.000 2.075 403 R HA -0.163 4.176 4.340 -0.000 0.000 0.232 403 R C 2.317 178.748 176.300 0.217 0.000 1.126 403 R CA 1.334 57.597 56.100 0.271 0.000 0.963 403 R CB -0.277 30.156 30.300 0.221 0.000 0.858 403 R HN 0.489 nan 8.270 nan 0.000 0.435 404 Q N -0.370 119.528 119.800 0.163 0.000 2.167 404 Q HA -0.043 4.297 4.340 -0.000 0.000 0.202 404 Q C 1.549 177.667 176.000 0.198 0.000 0.970 404 Q CA 1.402 57.290 55.803 0.142 0.000 0.855 404 Q CB 0.205 29.034 28.738 0.152 0.000 0.911 404 Q HN 0.179 nan 8.270 nan 0.000 0.438 405 S N -0.161 115.720 115.700 0.301 0.000 2.540 405 S HA 0.056 4.526 4.470 -0.000 0.000 0.218 405 S C 1.049 175.872 174.600 0.372 0.000 0.977 405 S CA -0.434 58.030 58.200 0.440 0.000 0.918 405 S CB -0.028 63.532 63.200 0.600 0.000 0.806 405 S HN 0.281 nan 8.310 nan 0.000 0.496 406 F N 4.016 124.081 119.950 0.193 0.000 2.082 406 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 406 F C 1.662 177.514 175.800 0.088 0.000 1.091 406 F CA 1.668 59.795 58.000 0.211 0.000 1.230 406 F CB -0.266 38.867 39.000 0.221 0.000 0.983 406 F HN 0.203 nan 8.300 nan 0.000 0.485 407 N N -0.920 117.811 118.700 0.051 0.000 2.515 407 N HA -0.089 4.651 4.740 -0.000 0.000 0.185 407 N C -0.208 175.175 175.510 -0.211 0.000 1.109 407 N CA 0.428 53.421 53.050 -0.096 0.000 0.903 407 N CB -0.618 37.795 38.487 -0.124 0.000 0.969 407 N HN 0.336 nan 8.380 nan 0.000 0.450 408 H N 1.575 120.609 119.070 -0.060 0.000 2.944 408 H HA 0.064 4.620 4.556 -0.000 0.000 0.278 408 H C -1.135 174.051 175.328 -0.238 0.000 1.083 408 H CA -1.265 54.713 56.048 -0.117 0.000 1.479 408 H CB 0.993 30.715 29.762 -0.067 0.000 1.486 408 H HN 0.105 nan 8.280 nan 0.000 0.493 409 P HA -0.186 nan 4.420 nan 0.000 0.217 409 P C 1.453 178.427 177.300 -0.544 0.000 1.148 409 P CA 1.346 64.135 63.100 -0.519 0.000 0.828 409 P CB 0.260 31.427 31.700 -0.888 0.000 0.783 410 S N -0.759 114.702 115.700 -0.399 0.000 2.423 410 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 410 S C 1.159 175.769 174.600 0.018 0.000 1.014 410 S CA 0.264 58.370 58.200 -0.157 0.000 0.965 410 S CB -1.194 62.036 63.200 0.049 0.000 0.785 410 S HN 0.072 nan 8.310 nan 0.000 0.495 411 I N 2.431 122.950 120.570 -0.084 0.000 2.471 411 I HA 0.119 4.289 4.170 -0.000 0.000 0.286 411 I C 0.916 176.955 176.117 -0.130 0.000 1.079 411 I CA -0.465 60.701 61.300 -0.223 0.000 1.398 411 I CB 0.900 38.614 38.000 -0.477 0.000 1.403 411 I HN 0.420 nan 8.210 nan 0.000 0.530 412 Y N 5.802 125.928 120.300 -0.290 0.000 2.430 412 Y HA 0.625 5.174 4.550 -0.000 0.000 0.248 412 Y C -0.157 175.564 175.900 -0.299 0.000 1.108 412 Y CA -0.366 57.585 58.100 -0.249 0.000 1.264 412 Y CB 0.384 38.443 38.460 -0.667 0.000 1.172 412 Y HN 0.289 nan 8.280 nan 0.000 0.520 413 V N 0.079 119.316 119.914 -1.129 0.000 3.120 413 V HA 0.439 4.559 4.120 -0.000 0.000 0.303 413 V C -2.267 173.173 176.094 -1.089 0.000 1.238 413 V CA -1.328 60.326 62.300 -1.077 0.000 1.008 413 V CB 1.642 32.719 31.823 -1.243 0.000 1.064 413 V HN 0.277 nan 8.190 nan 0.000 0.434 414 W N 3.264 124.308 121.300 -0.427 0.000 2.475 414 W HA 0.730 5.389 4.660 -0.000 0.000 0.317 414 W C 0.577 176.825 176.519 -0.451 0.000 1.046 414 W CA -0.833 56.307 57.345 -0.342 0.000 1.215 414 W CB 1.923 31.282 29.460 -0.169 0.000 1.335 414 W HN 0.886 nan 8.180 nan 0.000 0.471 415 G N 2.948 111.624 108.800 -0.206 0.000 2.327 415 G HA2 0.324 4.284 3.960 -0.000 0.000 0.302 415 G HA3 0.324 4.284 3.960 -0.000 0.000 0.302 415 G C 0.188 175.107 174.900 0.031 0.000 1.113 415 G CA -0.394 44.588 45.100 -0.196 0.000 0.921 415 G HN 0.479 nan 8.290 nan 0.000 0.425 416 L N 1.844 123.052 121.223 -0.026 0.000 2.095 416 L HA 0.179 4.519 4.340 -0.000 0.000 0.204 416 L C 1.551 178.492 176.870 0.117 0.000 1.080 416 L CA 1.289 56.148 54.840 0.032 0.000 0.759 416 L CB -0.944 41.111 42.059 -0.007 0.000 0.914 416 L HN 0.823 nan 8.230 nan 0.000 0.439 417 H N -2.981 116.137 119.070 0.079 0.000 3.042 417 H HA 0.377 4.933 4.556 -0.000 0.000 0.346 417 H C -1.370 173.991 175.328 0.055 0.000 1.294 417 H CA -0.936 55.147 56.048 0.059 0.000 1.141 417 H CB 1.447 31.217 29.762 0.012 0.000 1.872 417 H HN -0.021 nan 8.280 nan 0.000 0.541 418 N N 1.354 120.240 118.700 0.310 0.000 2.504 418 N HA 0.136 4.875 4.740 -0.000 0.000 0.280 418 N C -1.331 174.165 175.510 -0.023 0.000 1.052 418 N CA -0.376 52.775 53.050 0.169 0.000 0.887 418 N CB 1.171 39.690 38.487 0.052 0.000 1.323 418 N HN 0.785 nan 8.380 nan 0.000 0.509 419 E N 0.565 120.712 120.200 -0.089 0.000 2.246 419 E HA -0.160 4.190 4.350 -0.000 0.000 0.211 419 E C -0.839 175.281 176.600 -0.799 0.000 1.278 419 E CA 0.485 56.643 56.400 -0.403 0.000 0.694 419 E CB -1.440 28.183 29.700 -0.128 0.000 1.166 419 E HN 0.359 nan 8.360 nan 0.000 0.370 420 V N -2.087 117.245 119.914 -0.970 0.000 2.495 420 V HA 0.625 4.745 4.120 -0.000 0.000 0.298 420 V C 0.025 175.621 176.094 -0.830 0.000 1.031 420 V CA -0.591 61.245 62.300 -0.772 0.000 0.871 420 V CB 0.999 32.537 31.823 -0.475 0.000 0.988 420 V HN 0.232 nan 8.190 nan 0.000 0.432 421 Y N 1.424 121.772 120.300 0.080 0.000 2.941 421 Y HA 0.447 4.997 4.550 -0.000 0.000 0.133 421 Y C 0.923 177.016 175.900 0.321 0.000 0.874 421 Y CA -0.466 57.797 58.100 0.271 0.000 1.843 421 Y CB -0.227 38.457 38.460 0.374 0.000 1.233 421 Y HN 0.440 nan 8.280 nan 0.000 0.325 422 Q N 2.791 122.792 119.800 0.335 0.000 2.327 422 Q HA 0.262 4.602 4.340 -0.000 0.000 0.254 422 Q C -2.496 173.545 176.000 0.068 0.000 0.952 422 Q CA -1.742 54.096 55.803 0.059 0.000 0.884 422 Q CB 0.286 28.986 28.738 -0.062 0.000 1.224 422 Q HN 0.117 nan 8.270 nan 0.000 0.422 423 P HA 0.091 nan 4.420 nan 0.000 0.281 423 P C 0.274 177.683 177.300 0.182 0.000 1.286 423 P CA -0.171 62.950 63.100 0.034 0.000 0.772 423 P CB 0.529 32.242 31.700 0.023 0.000 0.862 424 H N 2.407 121.557 119.070 0.133 0.000 2.267 424 H HA -0.208 4.348 4.556 -0.000 0.000 0.291 424 H C 1.431 176.827 175.328 0.114 0.000 1.094 424 H CA 1.928 58.059 56.048 0.138 0.000 1.227 424 H CB -0.728 29.102 29.762 0.113 0.000 1.351 424 H HN 0.474 nan 8.280 nan 0.000 0.483 425 E N -0.126 120.210 120.200 0.227 0.000 2.086 425 E HA -0.217 4.133 4.350 -0.000 0.000 0.200 425 E C 2.259 178.930 176.600 0.118 0.000 1.012 425 E CA 1.511 57.996 56.400 0.143 0.000 0.812 425 E CB -0.681 29.088 29.700 0.114 0.000 0.743 425 E HN 0.558 nan 8.360 nan 0.000 0.453 426 Y N 1.286 121.613 120.300 0.044 0.000 2.070 426 Y HA -0.278 4.271 4.550 -0.000 0.000 0.280 426 Y C 2.362 178.279 175.900 0.028 0.000 1.148 426 Y CA 2.318 60.428 58.100 0.017 0.000 1.125 426 Y CB -0.686 37.764 38.460 -0.017 0.000 0.975 426 Y HN 0.005 nan 8.280 nan 0.000 0.492 427 T N 0.839 115.500 114.554 0.177 0.000 2.803 427 T HA -0.241 4.109 4.350 -0.000 0.000 0.269 427 T C 2.024 176.703 174.700 -0.035 0.000 1.052 427 T CA 1.387 63.523 62.100 0.061 0.000 1.136 427 T CB -0.783 68.149 68.868 0.106 0.000 0.864 427 T HN 0.531 nan 8.240 nan 0.000 0.467 428 A N 1.377 124.203 122.820 0.011 0.000 1.898 428 A HA 0.274 4.593 4.320 -0.000 0.000 0.216 428 A C 2.679 180.236 177.584 -0.047 0.000 1.181 428 A CA 1.611 53.654 52.037 0.010 0.000 0.620 428 A CB -1.127 17.897 19.000 0.040 0.000 0.819 428 A HN 0.499 nan 8.150 nan 0.000 0.442 429 A N -0.118 122.635 122.820 -0.111 0.000 1.851 429 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 429 A C 2.158 179.639 177.584 -0.172 0.000 1.195 429 A CA 1.900 53.852 52.037 -0.142 0.000 0.622 429 A CB -0.850 18.033 19.000 -0.196 0.000 0.831 429 A HN 0.753 nan 8.150 nan 0.000 0.444 430 L N -0.103 120.928 121.223 -0.320 0.000 1.990 430 L HA -0.168 4.172 4.340 -0.000 0.000 0.213 430 L C 2.506 179.340 176.870 -0.061 0.000 1.072 430 L CA 2.980 57.671 54.840 -0.247 0.000 0.755 430 L CB -1.167 40.691 42.059 -0.334 0.000 0.889 430 L HN 0.422 nan 8.230 nan 0.000 0.432 431 T N -0.556 113.999 114.554 0.002 0.000 2.759 431 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 431 T C 2.017 176.757 174.700 0.067 0.000 1.042 431 T CA 1.689 63.843 62.100 0.091 0.000 1.140 431 T CB -0.280 68.691 68.868 0.171 0.000 0.864 431 T HN 0.347 nan 8.240 nan 0.000 0.455 432 R N 1.057 121.575 120.500 0.031 0.000 2.081 432 R HA -0.093 4.246 4.340 -0.000 0.000 0.235 432 R C 3.000 179.340 176.300 0.068 0.000 1.131 432 R CA 1.726 57.855 56.100 0.049 0.000 0.960 432 R CB -0.345 29.965 30.300 0.016 0.000 0.856 432 R HN 0.534 nan 8.270 nan 0.000 0.436 433 S N 0.624 116.335 115.700 0.020 0.000 2.383 433 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 433 S C 2.046 176.660 174.600 0.023 0.000 1.026 433 S CA 0.764 58.972 58.200 0.013 0.000 0.981 433 S CB -0.396 62.795 63.200 -0.016 0.000 0.818 433 S HN 0.187 nan 8.310 nan 0.000 0.472 434 L N 1.002 122.247 121.223 0.038 0.000 2.005 434 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 434 L C 2.873 179.771 176.870 0.047 0.000 1.072 434 L CA 1.924 56.786 54.840 0.037 0.000 0.744 434 L CB -0.990 41.102 42.059 0.055 0.000 0.895 434 L HN 0.419 nan 8.230 nan 0.000 0.433 435 H N 0.044 119.115 119.070 0.001 0.000 2.353 435 H HA -0.266 4.290 4.556 -0.000 0.000 0.298 435 H C 2.061 177.395 175.328 0.010 0.000 1.103 435 H CA 2.241 58.293 56.048 0.008 0.000 1.293 435 H CB -0.172 29.594 29.762 0.005 0.000 1.372 435 H HN 0.342 nan 8.280 nan 0.000 0.501 436 D N 0.012 120.393 120.400 -0.033 0.000 2.117 436 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 436 D C 2.372 178.606 176.300 -0.109 0.000 0.982 436 D CA 1.097 55.042 54.000 -0.090 0.000 0.828 436 D CB -0.282 40.529 40.800 0.018 0.000 0.967 436 D HN 0.516 nan 8.370 nan 0.000 0.464 437 L N 0.426 121.606 121.223 -0.071 0.000 2.131 437 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 437 L C 2.388 179.195 176.870 -0.104 0.000 1.092 437 L CA 1.773 56.569 54.840 -0.074 0.000 0.759 437 L CB -0.275 41.750 42.059 -0.056 0.000 0.903 437 L HN 0.045 nan 8.230 nan 0.000 0.435 438 A N -0.747 121.996 122.820 -0.128 0.000 1.930 438 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 438 A C 2.185 179.723 177.584 -0.077 0.000 1.176 438 A CA 1.069 53.031 52.037 -0.125 0.000 0.632 438 A CB -0.309 18.648 19.000 -0.072 0.000 0.819 438 A HN 0.289 nan 8.150 nan 0.000 0.445 439 K N -0.143 120.161 120.400 -0.160 0.000 2.097 439 K HA -0.068 4.251 4.320 -0.000 0.000 0.205 439 K C 1.972 178.534 176.600 -0.065 0.000 1.050 439 K CA 1.750 57.961 56.287 -0.127 0.000 0.938 439 K CB -1.138 31.231 32.500 -0.218 0.000 0.718 439 K HN 0.467 nan 8.250 nan 0.000 0.442 440 T N 1.030 115.539 114.554 -0.074 0.000 2.746 440 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 440 T C 1.703 176.373 174.700 -0.050 0.000 1.039 440 T CA 1.477 63.542 62.100 -0.059 0.000 1.142 440 T CB -0.042 68.788 68.868 -0.064 0.000 0.866 440 T HN 0.218 nan 8.240 nan 0.000 0.444 441 E N 0.520 120.693 120.200 -0.045 0.000 2.447 441 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 441 E C -0.048 176.610 176.600 0.097 0.000 1.028 441 E CA 0.223 56.599 56.400 -0.040 0.000 0.876 441 E CB 0.444 30.096 29.700 -0.080 0.000 0.885 441 E HN 0.287 nan 8.360 nan 0.000 0.500 442 D N -1.358 119.138 120.400 0.160 0.000 3.785 442 D HA 0.020 4.660 4.640 -0.000 0.000 0.241 442 D C -2.346 174.066 176.300 0.188 0.000 1.488 442 D CA -0.582 53.628 54.000 0.350 0.000 0.912 442 D CB 0.446 41.559 40.800 0.522 0.000 1.418 442 D HN -0.089 nan 8.370 nan 0.000 0.749 443 P HA 0.011 nan 4.420 nan 0.000 0.236 443 P C 0.252 177.546 177.300 -0.010 0.000 1.172 443 P CA 0.505 63.618 63.100 0.023 0.000 0.759 443 P CB 0.402 32.103 31.700 0.002 0.000 0.843 444 D N -0.535 119.867 120.400 0.004 0.000 2.350 444 D HA 0.060 4.700 4.640 -0.000 0.000 0.213 444 D C 0.876 177.094 176.300 -0.138 0.000 1.031 444 D CA 0.429 54.385 54.000 -0.073 0.000 0.861 444 D CB 0.372 41.134 40.800 -0.063 0.000 0.926 444 D HN 0.290 nan 8.370 nan 0.000 0.520 445 R N -0.167 120.276 120.500 -0.096 0.000 2.732 445 R HA 0.364 4.703 4.340 -0.000 0.000 0.278 445 R C -0.526 175.688 176.300 -0.143 0.000 0.976 445 R CA -0.767 55.236 56.100 -0.162 0.000 0.963 445 R CB 1.172 31.305 30.300 -0.279 0.000 1.150 445 R HN -0.108 nan 8.270 nan 0.000 0.478 446 Y N 0.427 120.686 120.300 -0.068 0.000 2.357 446 Y HA 0.055 4.605 4.550 -0.000 0.000 0.340 446 Y C 1.199 177.021 175.900 -0.129 0.000 1.260 446 Y CA 0.288 58.355 58.100 -0.055 0.000 1.425 446 Y CB 0.755 39.202 38.460 -0.022 0.000 1.326 446 Y HN 0.519 nan 8.280 nan 0.000 0.580 447 T N -0.600 114.042 114.554 0.146 0.000 2.888 447 T HA 0.730 5.079 4.350 -0.000 0.000 0.284 447 T C -0.887 173.755 174.700 -0.097 0.000 1.017 447 T CA -0.840 61.288 62.100 0.046 0.000 1.022 447 T CB 1.663 70.659 68.868 0.213 0.000 1.013 447 T HN 0.554 nan 8.240 nan 0.000 0.465 448 V N 0.872 120.616 119.914 -0.283 0.000 3.160 448 V HA 0.935 5.055 4.120 -0.000 0.000 0.310 448 V C -1.129 174.787 176.094 -0.296 0.000 1.181 448 V CA -0.204 61.881 62.300 -0.358 0.000 1.047 448 V CB 2.357 33.746 31.823 -0.723 0.000 1.068 448 V HN 1.535 nan 8.190 nan 0.000 0.441 449 S N 2.421 117.968 115.700 -0.255 0.000 2.550 449 S HA 0.810 5.279 4.470 -0.000 0.000 0.270 449 S C -1.731 172.744 174.600 -0.208 0.000 1.145 449 S CA -0.586 57.382 58.200 -0.386 0.000 0.852 449 S CB 1.760 64.548 63.200 -0.686 0.000 1.119 449 S HN 0.985 nan 8.310 nan 0.000 0.465 450 V N 2.658 122.479 119.914 -0.154 0.000 2.444 450 V HA 0.534 4.654 4.120 -0.000 0.000 0.294 450 V C -0.224 175.960 176.094 0.150 0.000 1.022 450 V CA -0.702 61.647 62.300 0.080 0.000 0.850 450 V CB 1.231 33.148 31.823 0.156 0.000 0.992 450 V HN 0.987 nan 8.190 nan 0.000 0.426 451 N N 2.838 121.620 118.700 0.137 0.000 2.443 451 N HA 0.517 5.257 4.740 -0.000 0.000 0.295 451 N C 1.182 176.786 175.510 0.157 0.000 1.076 451 N CA 0.184 53.334 53.050 0.166 0.000 0.919 451 N CB 1.943 40.499 38.487 0.115 0.000 1.176 451 N HN 0.691 nan 8.380 nan 0.000 0.487 452 G N 1.266 110.210 108.800 0.240 0.000 2.421 452 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.217 452 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.217 452 G C -0.037 174.824 174.900 -0.065 0.000 1.143 452 G CA 0.685 45.829 45.100 0.072 0.000 0.784 452 G HN 0.523 nan 8.290 nan 0.000 0.541 453 Y N -0.418 119.900 120.300 0.029 0.000 2.299 453 Y HA 0.416 4.966 4.550 -0.000 0.000 0.335 453 Y C 1.729 177.671 175.900 0.070 0.000 1.287 453 Y CA 0.262 58.384 58.100 0.036 0.000 1.424 453 Y CB 1.080 39.584 38.460 0.074 0.000 1.326 453 Y HN -0.058 nan 8.280 nan 0.000 0.567 454 G N -0.526 108.488 108.800 0.356 0.000 3.088 454 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.217 454 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.217 454 G C -0.118 175.192 174.900 0.684 0.000 1.159 454 G CA -0.078 45.297 45.100 0.459 0.000 0.760 454 G HN 0.706 nan 8.290 nan 0.000 0.550 455 H N -0.967 118.341 119.070 0.397 0.000 2.488 455 H HA 0.406 4.962 4.556 -0.000 0.000 0.322 455 H C 1.217 176.642 175.328 0.161 0.000 1.078 455 H CA -1.135 55.081 56.048 0.279 0.000 1.260 455 H CB 1.576 31.467 29.762 0.215 0.000 1.425 455 H HN -0.104 nan 8.280 nan 0.000 0.471 456 M N 2.265 121.892 119.600 0.044 0.000 2.108 456 M HA -0.210 4.270 4.480 -0.000 0.000 0.257 456 M C 0.799 177.031 176.300 -0.114 0.000 1.071 456 M CA 1.926 57.101 55.300 -0.208 0.000 1.093 456 M CB -0.453 31.636 32.600 -0.853 0.000 1.345 456 M HN 0.796 nan 8.290 nan 0.000 0.403 457 D N -1.226 119.195 120.400 0.035 0.000 2.881 457 D HA -0.044 4.596 4.640 -0.000 0.000 0.240 457 D C -0.062 176.308 176.300 0.117 0.000 1.249 457 D CA -0.169 53.888 54.000 0.094 0.000 0.839 457 D CB -1.258 39.638 40.800 0.160 0.000 1.042 457 D HN 0.395 nan 8.370 nan 0.000 0.475 458 H N 1.700 120.684 119.070 -0.144 0.000 2.928 458 H HA 0.052 4.608 4.556 -0.000 0.000 0.338 458 H C -1.564 173.677 175.328 -0.145 0.000 1.047 458 H CA -1.024 54.889 56.048 -0.224 0.000 1.435 458 H CB 1.565 31.098 29.762 -0.382 0.000 1.428 458 H HN -0.048 nan 8.280 nan 0.000 0.590 459 P HA -0.088 nan 4.420 nan 0.000 0.236 459 P C 0.930 178.245 177.300 0.025 0.000 1.172 459 P CA 0.517 63.557 63.100 -0.100 0.000 0.759 459 P CB 0.342 31.909 31.700 -0.223 0.000 0.843 460 V N -2.009 118.023 119.914 0.197 0.000 3.605 460 V HA 0.149 4.269 4.120 -0.000 0.000 0.284 460 V C 0.727 176.886 176.094 0.109 0.000 1.386 460 V CA 0.150 62.523 62.300 0.121 0.000 1.053 460 V CB -0.326 31.540 31.823 0.072 0.000 0.857 460 V HN 0.094 nan 8.190 nan 0.000 0.436 461 N N 0.317 119.068 118.700 0.085 0.000 2.347 461 N HA 0.459 5.199 4.740 -0.000 0.000 0.253 461 N C 0.652 176.169 175.510 0.012 0.000 1.274 461 N CA -0.190 52.885 53.050 0.041 0.000 0.941 461 N CB 0.591 39.086 38.487 0.013 0.000 1.200 461 N HN 0.057 nan 8.380 nan 0.000 0.514 462 L N -1.447 119.764 121.223 -0.020 0.000 4.800 462 L HA -0.254 4.086 4.340 -0.000 0.000 0.412 462 L C 0.272 177.096 176.870 -0.077 0.000 1.063 462 L CA 0.231 55.047 54.840 -0.041 0.000 1.114 462 L CB -1.336 40.712 42.059 -0.020 0.000 2.089 462 L HN 0.582 nan 8.230 nan 0.000 0.686 463 N N 0.079 118.728 118.700 -0.084 0.000 2.336 463 N HA 0.346 5.086 4.740 -0.000 0.000 0.189 463 N C 0.666 175.999 175.510 -0.294 0.000 1.113 463 N CA 0.927 53.893 53.050 -0.141 0.000 0.858 463 N CB 0.765 39.222 38.487 -0.049 0.000 0.970 463 N HN 0.535 nan 8.380 nan 0.000 0.471 464 A N -0.034 122.642 122.820 -0.240 0.000 2.437 464 A HA 0.406 4.726 4.320 -0.000 0.000 0.288 464 A C 0.427 177.931 177.584 -0.133 0.000 1.201 464 A CA -0.546 51.359 52.037 -0.221 0.000 0.795 464 A CB 1.073 20.037 19.000 -0.060 0.000 1.359 464 A HN -0.142 nan 8.150 nan 0.000 0.435 465 D N -0.330 120.101 120.400 0.051 0.000 2.123 465 D HA -0.052 4.588 4.640 -0.000 0.000 0.196 465 D C 0.211 176.518 176.300 0.013 0.000 0.992 465 D CA 1.864 55.931 54.000 0.112 0.000 0.833 465 D CB -0.024 40.967 40.800 0.317 0.000 0.954 465 D HN 0.456 nan 8.370 nan 0.000 0.455 466 I N 0.377 120.919 120.570 -0.047 0.000 2.498 466 I HA 0.155 4.325 4.170 -0.000 0.000 0.290 466 I C -0.277 175.796 176.117 -0.074 0.000 1.032 466 I CA -0.873 60.376 61.300 -0.086 0.000 1.073 466 I CB 2.244 40.165 38.000 -0.132 0.000 1.251 466 I HN -0.318 nan 8.210 nan 0.000 0.426 467 Q N 4.090 123.863 119.800 -0.046 0.000 2.303 467 Q HA 0.615 4.955 4.340 -0.000 0.000 0.257 467 Q C -0.362 175.662 176.000 0.040 0.000 0.941 467 Q CA -0.266 55.526 55.803 -0.019 0.000 0.931 467 Q CB 1.735 30.462 28.738 -0.019 0.000 1.215 467 Q HN 0.791 nan 8.270 nan 0.000 0.437 468 G N 3.425 112.277 108.800 0.086 0.000 2.417 468 G HA2 0.730 4.689 3.960 -0.000 0.000 0.334 468 G HA3 0.730 4.689 3.960 -0.000 0.000 0.334 468 G C -1.009 173.987 174.900 0.159 0.000 1.150 468 G CA -0.707 44.499 45.100 0.177 0.000 0.923 468 G HN 0.619 nan 8.290 nan 0.000 0.485 469 M N 1.312 121.022 119.600 0.182 0.000 2.386 469 M HA 0.281 4.761 4.480 -0.000 0.000 0.293 469 M C -1.115 175.215 176.300 0.050 0.000 1.120 469 M CA -0.972 54.418 55.300 0.150 0.000 0.909 469 M CB 2.526 35.289 32.600 0.272 0.000 1.661 469 M HN 0.308 nan 8.290 nan 0.000 0.452 470 N N 3.580 122.262 118.700 -0.029 0.000 2.488 470 N HA 0.407 5.147 4.740 -0.000 0.000 0.274 470 N C -1.025 174.321 175.510 -0.273 0.000 1.111 470 N CA -0.092 52.861 53.050 -0.160 0.000 0.974 470 N CB 0.891 39.309 38.487 -0.115 0.000 1.089 470 N HN 0.473 nan 8.380 nan 0.000 0.465 471 R N 2.564 122.791 120.500 -0.456 0.000 2.510 471 R HA 0.209 4.548 4.340 -0.000 0.000 0.294 471 R C -1.020 174.930 176.300 -0.583 0.000 1.056 471 R CA -0.462 55.260 56.100 -0.629 0.000 0.918 471 R CB 0.798 30.567 30.300 -0.884 0.000 1.187 471 R HN 0.578 nan 8.270 nan 0.000 0.437 472 Y N 1.972 122.103 120.300 -0.282 0.000 2.696 472 Y HA 0.306 4.856 4.550 -0.000 0.000 0.378 472 Y C -0.040 175.815 175.900 -0.075 0.000 1.012 472 Y CA -0.737 57.309 58.100 -0.090 0.000 1.396 472 Y CB 0.104 38.569 38.460 0.008 0.000 1.415 472 Y HN 0.414 nan 8.280 nan 0.000 0.569 473 F N 1.117 121.123 119.950 0.092 0.000 2.623 473 F HA 0.261 4.788 4.527 -0.000 0.000 0.383 473 F C 1.542 177.438 175.800 0.159 0.000 1.077 473 F CA 1.220 59.270 58.000 0.084 0.000 1.268 473 F CB 0.259 39.265 39.000 0.011 0.000 1.053 473 F HN 0.584 nan 8.300 nan 0.000 0.571 474 G N 2.371 111.387 108.800 0.361 0.000 2.179 474 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 474 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 474 G C 0.723 175.853 174.900 0.383 0.000 0.977 474 G CA 0.317 45.623 45.100 0.344 0.000 0.641 474 G HN 0.763 nan 8.290 nan 0.000 0.533 475 W N -0.879 120.457 121.300 0.060 0.000 4.168 475 W HA 0.298 4.958 4.660 -0.000 0.000 0.211 475 W C 1.432 177.738 176.519 -0.355 0.000 1.002 475 W CA 1.164 58.401 57.345 -0.180 0.000 1.903 475 W CB 0.218 29.472 29.460 -0.343 0.000 0.828 475 W HN 0.210 nan 8.180 nan 0.000 0.876 476 Y N 0.872 121.235 120.300 0.106 0.000 2.458 476 Y HA 0.242 4.791 4.550 -0.000 0.000 0.254 476 Y C 0.137 176.064 175.900 0.045 0.000 1.120 476 Y CA 0.568 58.613 58.100 -0.091 0.000 1.282 476 Y CB 0.813 39.136 38.460 -0.229 0.000 1.109 476 Y HN -0.223 nan 8.280 nan 0.000 0.526 477 E N 0.700 121.009 120.200 0.183 0.000 2.415 477 E HA 0.279 4.629 4.350 -0.000 0.000 0.302 477 E C -1.063 175.664 176.600 0.211 0.000 0.907 477 E CA -0.470 56.025 56.400 0.157 0.000 0.798 477 E CB 0.868 30.610 29.700 0.068 0.000 1.315 477 E HN 0.109 nan 8.360 nan 0.000 0.396 478 K N 0.916 121.434 120.400 0.198 0.000 1.682 478 K HA -0.180 4.140 4.320 -0.000 0.000 0.585 478 K C -0.622 176.104 176.600 0.210 0.000 1.828 478 K CA 1.061 57.474 56.287 0.210 0.000 0.967 478 K CB -0.564 32.104 32.500 0.280 0.000 1.624 478 K HN 0.406 nan 8.250 nan 0.000 0.656 479 K N 0.724 121.226 120.400 0.171 0.000 2.087 479 K HA 0.293 4.613 4.320 -0.000 0.000 0.255 479 K C 1.467 178.137 176.600 0.117 0.000 0.988 479 K CA -0.208 56.151 56.287 0.120 0.000 0.915 479 K CB 0.449 32.973 32.500 0.041 0.000 1.043 479 K HN 0.489 nan 8.250 nan 0.000 0.457 480 I N 1.252 121.860 120.570 0.064 0.000 2.248 480 I HA -0.341 3.829 4.170 -0.000 0.000 0.248 480 I C 1.360 177.437 176.117 -0.068 0.000 1.107 480 I CA 1.567 62.877 61.300 0.016 0.000 1.373 480 I CB -0.038 37.887 38.000 -0.125 0.000 1.055 480 I HN 0.481 nan 8.210 nan 0.000 0.418 481 Q N 0.008 119.678 119.800 -0.218 0.000 2.451 481 Q HA -0.081 4.259 4.340 -0.000 0.000 0.206 481 Q C 1.292 177.227 176.000 -0.108 0.000 0.947 481 Q CA 0.609 56.290 55.803 -0.204 0.000 0.937 481 Q CB -0.210 28.328 28.738 -0.333 0.000 1.025 481 Q HN 0.376 nan 8.270 nan 0.000 0.511 482 D N 0.249 120.529 120.400 -0.200 0.000 2.378 482 D HA -0.084 4.556 4.640 -0.000 0.000 0.222 482 D C 1.446 177.246 176.300 -0.834 0.000 0.980 482 D CA 0.320 54.095 54.000 -0.374 0.000 0.907 482 D CB 0.080 40.720 40.800 -0.266 0.000 0.899 482 D HN 0.320 nan 8.370 nan 0.000 0.527 483 I N 0.732 120.834 120.570 -0.779 0.000 2.226 483 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 483 I C 2.301 178.321 176.117 -0.163 0.000 1.100 483 I CA 1.183 62.110 61.300 -0.623 0.000 1.374 483 I CB 0.096 38.037 38.000 -0.098 0.000 1.057 483 I HN -0.117 nan 8.210 nan 0.000 0.413 484 K N 1.240 121.568 120.400 -0.120 0.000 1.977 484 K HA -0.202 4.118 4.320 -0.000 0.000 0.218 484 K C -0.556 176.002 176.600 -0.070 0.000 1.051 484 K CA 2.544 58.769 56.287 -0.104 0.000 0.953 484 K CB -1.473 31.010 32.500 -0.029 0.000 0.727 484 K HN 0.209 nan 8.250 nan 0.000 0.445 485 P HA -0.217 nan 4.420 nan 0.000 0.218 485 P C 1.243 178.562 177.300 0.033 0.000 1.154 485 P CA 1.583 64.680 63.100 -0.006 0.000 0.872 485 P CB -0.450 31.248 31.700 -0.002 0.000 0.790 486 W N 0.819 122.026 121.300 -0.154 0.000 2.332 486 W HA -0.178 4.482 4.660 -0.000 0.000 0.321 486 W C 2.336 178.857 176.519 0.003 0.000 1.219 486 W CA 1.690 59.010 57.345 -0.041 0.000 1.277 486 W CB -1.173 28.260 29.460 -0.044 0.000 1.161 486 W HN -0.203 nan 8.180 nan 0.000 0.476 487 V N 1.379 121.205 119.914 -0.148 0.000 2.490 487 V HA -0.257 3.863 4.120 -0.000 0.000 0.250 487 V C 2.025 177.947 176.094 -0.286 0.000 1.061 487 V CA 2.702 64.752 62.300 -0.416 0.000 1.064 487 V CB -0.520 31.140 31.823 -0.271 0.000 0.670 487 V HN 0.335 nan 8.190 nan 0.000 0.461 488 E N -0.631 119.471 120.200 -0.163 0.000 2.110 488 E HA -0.279 4.071 4.350 -0.000 0.000 0.193 488 E C 2.206 178.722 176.600 -0.140 0.000 0.988 488 E CA 1.486 57.839 56.400 -0.079 0.000 0.804 488 E CB -0.101 29.594 29.700 -0.010 0.000 0.745 488 E HN 0.583 nan 8.360 nan 0.000 0.458 489 Q N 0.750 120.465 119.800 -0.142 0.000 2.049 489 Q HA -0.119 4.221 4.340 -0.000 0.000 0.198 489 Q C 2.021 177.928 176.000 -0.155 0.000 0.971 489 Q CA 0.941 56.675 55.803 -0.115 0.000 0.833 489 Q CB -0.315 28.399 28.738 -0.040 0.000 0.896 489 Q HN 0.167 nan 8.270 nan 0.000 0.434 490 L N 1.402 122.478 121.223 -0.244 0.000 1.990 490 L HA -0.236 4.104 4.340 -0.000 0.000 0.213 490 L C 2.270 178.948 176.870 -0.321 0.000 1.072 490 L CA 2.597 57.324 54.840 -0.189 0.000 0.755 490 L CB -0.914 40.880 42.059 -0.441 0.000 0.889 490 L HN 0.582 nan 8.230 nan 0.000 0.432 491 E N -0.975 118.805 120.200 -0.698 0.000 2.150 491 E HA -0.293 4.057 4.350 -0.000 0.000 0.193 491 E C 2.187 178.433 176.600 -0.591 0.000 0.985 491 E CA 1.408 57.071 56.400 -1.227 0.000 0.814 491 E CB -0.379 28.725 29.700 -0.994 0.000 0.752 491 E HN 0.522 nan 8.360 nan 0.000 0.466 492 K N 0.699 120.888 120.400 -0.351 0.000 2.031 492 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 492 K C 1.514 177.964 176.600 -0.250 0.000 1.049 492 K CA 1.689 57.828 56.287 -0.247 0.000 0.939 492 K CB 0.117 32.513 32.500 -0.173 0.000 0.717 492 K HN 0.031 nan 8.250 nan 0.000 0.438 493 D N -0.792 119.449 120.400 -0.265 0.000 2.317 493 D HA -0.076 4.564 4.640 -0.000 0.000 0.211 493 D C -0.221 175.610 176.300 -0.782 0.000 0.966 493 D CA 0.975 54.683 54.000 -0.487 0.000 0.876 493 D CB 0.289 40.778 40.800 -0.517 0.000 0.927 493 D HN 0.272 nan 8.370 nan 0.000 0.519 494 Y N -0.755 119.503 120.300 -0.070 0.000 2.512 494 Y HA 0.214 4.764 4.550 -0.000 0.000 0.326 494 Y C -1.810 174.122 175.900 0.053 0.000 1.008 494 Y CA -1.534 56.595 58.100 0.047 0.000 1.139 494 Y CB 1.309 39.838 38.460 0.116 0.000 1.137 494 Y HN -0.118 nan 8.280 nan 0.000 0.630 495 P HA -0.160 nan 4.420 nan 0.000 0.228 495 P C 0.390 177.647 177.300 -0.072 0.000 1.151 495 P CA 1.580 64.586 63.100 -0.157 0.000 0.770 495 P CB 0.139 31.592 31.700 -0.412 0.000 0.786 496 Y N -1.236 119.195 120.300 0.217 0.000 2.458 496 Y HA 0.242 4.792 4.550 -0.000 0.000 0.254 496 Y C 1.225 177.215 175.900 0.150 0.000 1.120 496 Y CA -0.262 57.936 58.100 0.164 0.000 1.282 496 Y CB -0.342 38.185 38.460 0.111 0.000 1.109 496 Y HN -0.093 nan 8.280 nan 0.000 0.526 497 Q N 1.891 121.880 119.800 0.316 0.000 2.296 497 Q HA 0.115 4.455 4.340 -0.000 0.000 0.262 497 Q C -0.363 175.633 176.000 -0.008 0.000 0.981 497 Q CA 0.079 55.974 55.803 0.154 0.000 0.905 497 Q CB 0.433 29.253 28.738 0.136 0.000 1.186 497 Q HN 0.182 nan 8.270 nan 0.000 0.399 498 K N 2.981 123.361 120.400 -0.034 0.000 2.412 498 K HA 0.236 4.555 4.320 -0.000 0.000 0.284 498 K C -0.518 175.993 176.600 -0.148 0.000 1.046 498 K CA -0.086 56.128 56.287 -0.121 0.000 0.999 498 K CB 0.278 32.709 32.500 -0.115 0.000 0.941 498 K HN 0.484 nan 8.250 nan 0.000 0.474 499 L N 3.368 124.448 121.223 -0.239 0.000 2.445 499 L HA 0.526 4.866 4.340 -0.000 0.000 0.262 499 L C -1.534 175.274 176.870 -0.103 0.000 0.974 499 L CA -0.569 54.162 54.840 -0.181 0.000 0.822 499 L CB 1.852 43.734 42.059 -0.294 0.000 1.339 499 L HN 0.632 nan 8.230 nan 0.000 0.409 500 M N 4.716 124.347 119.600 0.051 0.000 2.501 500 M HA 0.389 4.869 4.480 -0.000 0.000 0.293 500 M C -1.447 174.978 176.300 0.208 0.000 1.192 500 M CA -0.711 54.676 55.300 0.145 0.000 0.886 500 M CB 2.389 35.161 32.600 0.287 0.000 1.710 500 M HN 0.504 nan 8.290 nan 0.000 0.457 501 L N 2.548 123.890 121.223 0.198 0.000 2.302 501 L HA 0.306 4.646 4.340 -0.000 0.000 0.285 501 L C 1.042 178.045 176.870 0.221 0.000 1.090 501 L CA 0.448 55.406 54.840 0.197 0.000 0.866 501 L CB 0.475 42.605 42.059 0.119 0.000 1.244 501 L HN 0.906 nan 8.230 nan 0.000 0.435 502 T N 0.429 115.087 114.554 0.173 0.000 3.113 502 T HA 0.236 4.586 4.350 -0.000 0.000 0.256 502 T C 0.448 175.143 174.700 -0.007 0.000 1.131 502 T CA 0.211 62.368 62.100 0.094 0.000 1.074 502 T CB -0.091 68.802 68.868 0.042 0.000 0.944 502 T HN 0.604 nan 8.240 nan 0.000 0.516 503 E N -0.248 119.959 120.200 0.011 0.000 2.537 503 E HA 0.457 4.806 4.350 -0.000 0.000 0.301 503 E C -1.964 174.507 176.600 -0.215 0.000 0.990 503 E CA -1.069 55.267 56.400 -0.107 0.000 0.828 503 E CB 1.925 31.397 29.700 -0.379 0.000 1.243 503 E HN 0.529 nan 8.360 nan 0.000 0.414 504 Y N 0.595 120.686 120.300 -0.348 0.000 2.677 504 Y HA 0.794 5.344 4.550 -0.000 0.000 0.334 504 Y C -0.233 175.641 175.900 -0.043 0.000 1.196 504 Y CA -0.106 57.708 58.100 -0.476 0.000 1.059 504 Y CB 1.321 39.666 38.460 -0.191 0.000 1.315 504 Y HN 0.763 nan 8.280 nan 0.000 0.455 505 G N 0.330 109.054 108.800 -0.126 0.000 2.340 505 G HA2 0.581 4.541 3.960 -0.000 0.000 0.282 505 G HA3 0.581 4.541 3.960 -0.000 0.000 0.282 505 G C -1.898 172.928 174.900 -0.123 0.000 1.312 505 G CA -0.101 44.914 45.100 -0.142 0.000 0.942 505 G HN 1.948 nan 8.290 nan 0.000 0.495 506 A N -0.781 121.861 122.820 -0.298 0.000 2.606 506 A HA 0.767 5.087 4.320 -0.000 0.000 0.293 506 A C -0.890 176.227 177.584 -0.778 0.000 1.082 506 A CA -0.126 51.432 52.037 -0.798 0.000 0.685 506 A CB 1.343 20.185 19.000 -0.264 0.000 1.284 506 A HN 0.842 nan 8.150 nan 0.000 0.408 507 D N 0.253 119.826 120.400 -1.378 0.000 2.368 507 D HA 0.520 5.160 4.640 -0.000 0.000 0.240 507 D C 0.160 176.359 176.300 -0.168 0.000 1.169 507 D CA 1.380 55.027 54.000 -0.588 0.000 0.906 507 D CB 0.938 41.416 40.800 -0.538 0.000 1.187 507 D HN 0.952 nan 8.370 nan 0.000 0.435 508 A N 1.661 124.471 122.820 -0.016 0.000 2.547 508 A HA 0.294 4.614 4.320 -0.000 0.000 0.279 508 A C -1.091 176.506 177.584 0.022 0.000 1.088 508 A CA -0.777 51.294 52.037 0.056 0.000 0.796 508 A CB 0.718 19.752 19.000 0.056 0.000 1.308 508 A HN 0.408 nan 8.150 nan 0.000 0.415 509 N N 3.176 121.860 118.700 -0.026 0.000 2.521 509 N HA 0.193 4.932 4.740 -0.000 0.000 0.236 509 N C 0.808 176.237 175.510 -0.135 0.000 1.067 509 N CA -0.573 52.362 53.050 -0.191 0.000 0.939 509 N CB 0.476 38.591 38.487 -0.621 0.000 1.201 509 N HN 0.529 nan 8.380 nan 0.000 0.511 510 L N 3.042 124.237 121.223 -0.047 0.000 2.171 510 L HA -0.233 4.107 4.340 -0.000 0.000 0.216 510 L C 2.138 179.029 176.870 0.034 0.000 1.084 510 L CA 1.798 56.646 54.840 0.012 0.000 0.771 510 L CB -0.886 41.186 42.059 0.022 0.000 0.890 510 L HN 0.654 nan 8.230 nan 0.000 0.437 511 A N -2.686 120.141 122.820 0.012 0.000 2.209 511 A HA -0.070 4.250 4.320 -0.000 0.000 0.212 511 A C 0.305 178.082 177.584 0.321 0.000 1.158 511 A CA 0.474 52.591 52.037 0.133 0.000 0.742 511 A CB -0.773 18.308 19.000 0.134 0.000 0.790 511 A HN 0.416 nan 8.150 nan 0.000 0.472 512 H N 0.297 119.331 119.070 -0.059 0.000 2.476 512 H HA 0.665 5.221 4.556 -0.000 0.000 0.328 512 H C -0.254 175.005 175.328 -0.115 0.000 1.073 512 H CA -0.657 55.264 56.048 -0.212 0.000 1.229 512 H CB 0.803 30.140 29.762 -0.708 0.000 1.432 512 H HN 0.304 nan 8.280 nan 0.000 0.477 513 Q N 1.225 121.114 119.800 0.147 0.000 2.418 513 Q HA 0.643 4.983 4.340 -0.000 0.000 0.282 513 Q C -0.619 175.533 176.000 0.254 0.000 1.044 513 Q CA -0.734 55.164 55.803 0.158 0.000 0.813 513 Q CB 3.656 32.465 28.738 0.119 0.000 1.428 513 Q HN 0.704 nan 8.270 nan 0.000 0.402 514 T N -0.552 114.129 114.554 0.212 0.000 2.800 514 T HA 0.112 4.462 4.350 -0.000 0.000 0.327 514 T C -1.117 173.694 174.700 0.185 0.000 1.838 514 T CA -0.272 61.977 62.100 0.249 0.000 1.024 514 T CB 0.855 69.958 68.868 0.391 0.000 1.755 514 T HN 0.759 nan 8.240 nan 0.000 0.507 515 E N 1.022 121.320 120.200 0.165 0.000 2.526 515 E HA 0.137 4.487 4.350 -0.000 0.000 0.208 515 E C -0.621 175.958 176.600 -0.035 0.000 0.997 515 E CA -0.258 56.161 56.400 0.031 0.000 0.961 515 E CB 0.127 29.772 29.700 -0.091 0.000 1.030 515 E HN 0.568 nan 8.360 nan 0.000 0.483 516 Y N 2.108 122.463 120.300 0.091 0.000 2.735 516 Y HA 0.269 4.819 4.550 -0.000 0.000 0.354 516 Y C -0.167 175.806 175.900 0.123 0.000 1.288 516 Y CA -0.212 57.938 58.100 0.084 0.000 1.836 516 Y CB -0.076 38.415 38.460 0.051 0.000 1.920 516 Y HN 0.024 nan 8.280 nan 0.000 0.438 517 L N 0.842 122.183 121.223 0.196 0.000 2.282 517 L HA 0.586 4.926 4.340 -0.000 0.000 0.288 517 L C 1.084 178.078 176.870 0.207 0.000 1.033 517 L CA -0.622 54.373 54.840 0.258 0.000 0.807 517 L CB 1.170 43.398 42.059 0.282 0.000 1.209 517 L HN 0.488 nan 8.230 nan 0.000 0.423 518 G N 0.907 109.842 108.800 0.225 0.000 2.582 518 G HA2 0.121 4.081 3.960 -0.000 0.000 0.232 518 G HA3 0.121 4.081 3.960 -0.000 0.000 0.232 518 G C 0.058 175.100 174.900 0.235 0.000 1.458 518 G CA -0.253 44.952 45.100 0.175 0.000 1.062 518 G HN 0.649 nan 8.290 nan 0.000 0.566 519 D N 0.068 120.577 120.400 0.182 0.000 2.402 519 D HA 0.449 5.089 4.640 -0.000 0.000 0.216 519 D C 0.688 177.148 176.300 0.267 0.000 1.128 519 D CA 0.319 54.422 54.000 0.173 0.000 0.833 519 D CB 0.990 41.818 40.800 0.046 0.000 0.971 519 D HN 0.437 nan 8.370 nan 0.000 0.503 520 A N 0.419 123.404 122.820 0.276 0.000 2.569 520 A HA 0.759 5.079 4.320 -0.000 0.000 0.290 520 A C -1.734 175.777 177.584 -0.123 0.000 1.136 520 A CA -0.678 51.466 52.037 0.179 0.000 0.710 520 A CB 1.745 20.790 19.000 0.074 0.000 1.303 520 A HN 0.084 nan 8.150 nan 0.000 0.413 521 L N 1.023 121.998 121.223 -0.413 0.000 2.568 521 L HA 0.423 4.763 4.340 -0.000 0.000 0.262 521 L C -0.525 175.999 176.870 -0.576 0.000 0.980 521 L CA -0.367 54.042 54.840 -0.718 0.000 0.882 521 L CB 1.302 42.477 42.059 -1.473 0.000 1.198 521 L HN 0.769 nan 8.230 nan 0.000 0.425 522 N N 3.844 122.342 118.700 -0.337 0.000 2.052 522 N HA -0.181 4.559 4.740 -0.000 0.000 0.283 522 N C 0.423 175.718 175.510 -0.360 0.000 1.272 522 N CA 1.070 53.944 53.050 -0.294 0.000 0.810 522 N CB 0.407 38.769 38.487 -0.210 0.000 1.042 522 N HN 0.777 nan 8.380 nan 0.000 0.483 523 W N 2.299 123.328 121.300 -0.452 0.000 3.103 523 W HA 0.405 5.064 4.660 -0.000 0.000 0.325 523 W C 0.923 177.460 176.519 0.029 0.000 1.170 523 W CA 0.216 57.348 57.345 -0.355 0.000 1.712 523 W CB -0.791 28.333 29.460 -0.561 0.000 1.068 523 W HN 0.502 nan 8.180 nan 0.000 0.592 524 G N 1.639 110.104 108.800 -0.558 0.000 2.511 524 G HA2 0.053 4.013 3.960 -0.000 0.000 0.217 524 G HA3 0.053 4.013 3.960 -0.000 0.000 0.217 524 G C 0.932 175.710 174.900 -0.204 0.000 1.133 524 G CA 0.891 45.702 45.100 -0.483 0.000 0.792 524 G HN 0.260 nan 8.290 nan 0.000 0.539 525 K N 1.064 121.388 120.400 -0.125 0.000 2.107 525 K HA 0.535 4.855 4.320 -0.000 0.000 0.251 525 K C -1.895 174.695 176.600 -0.017 0.000 1.012 525 K CA -1.198 55.055 56.287 -0.056 0.000 0.920 525 K CB -0.133 32.344 32.500 -0.039 0.000 1.033 525 K HN 0.124 nan 8.250 nan 0.000 0.478 526 P HA 0.211 nan 4.420 nan 0.000 0.243 526 P C -1.158 176.216 177.300 0.123 0.000 1.672 526 P CA -0.068 62.993 63.100 -0.066 0.000 1.000 526 P CB -0.372 31.325 31.700 -0.005 0.000 1.562 527 F N 1.777 121.741 119.950 0.023 0.000 2.363 527 F HA 0.332 4.859 4.527 -0.000 0.000 0.366 527 F C -0.565 175.558 175.800 0.538 0.000 1.083 527 F CA -1.291 56.849 58.000 0.232 0.000 1.176 527 F CB 0.610 39.608 39.000 -0.004 0.000 1.432 527 F HN -0.157 nan 8.300 nan 0.000 0.482 528 Y N 5.544 125.967 120.300 0.206 0.000 2.888 528 Y HA 0.306 4.856 4.550 -0.000 0.000 0.341 528 Y C -2.253 173.601 175.900 -0.078 0.000 1.241 528 Y CA -3.575 54.571 58.100 0.078 0.000 1.440 528 Y CB -1.013 37.519 38.460 0.120 0.000 1.517 528 Y HN 0.315 nan 8.280 nan 0.000 0.518 529 P HA 0.019 nan 4.420 nan 0.000 0.271 529 P C 0.949 178.322 177.300 0.121 0.000 1.216 529 P CA 0.117 63.171 63.100 -0.077 0.000 0.771 529 P CB 1.480 33.102 31.700 -0.129 0.000 0.864 530 E N 2.450 122.708 120.200 0.098 0.000 2.097 530 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 530 E C 1.408 178.105 176.600 0.161 0.000 1.000 530 E CA 2.334 58.810 56.400 0.127 0.000 0.804 530 E CB -0.295 29.475 29.700 0.117 0.000 0.740 530 E HN 0.575 nan 8.360 nan 0.000 0.454 531 T N -1.248 113.405 114.554 0.165 0.000 2.803 531 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 531 T C 1.692 176.499 174.700 0.177 0.000 1.052 531 T CA 1.260 63.457 62.100 0.161 0.000 1.136 531 T CB -0.599 68.363 68.868 0.157 0.000 0.864 531 T HN 0.273 nan 8.240 nan 0.000 0.467 532 F N 1.541 121.558 119.950 0.112 0.000 2.206 532 F HA 0.101 4.627 4.527 -0.000 0.000 0.298 532 F C 2.767 178.630 175.800 0.105 0.000 1.090 532 F CA 1.138 59.213 58.000 0.126 0.000 1.323 532 F CB -0.339 38.767 39.000 0.177 0.000 1.028 532 F HN 0.141 nan 8.300 nan 0.000 0.492 533 Q N -0.054 119.870 119.800 0.207 0.000 1.975 533 Q HA -0.219 4.121 4.340 -0.000 0.000 0.205 533 Q C 2.004 178.002 176.000 -0.004 0.000 0.990 533 Q CA 2.937 58.786 55.803 0.076 0.000 0.845 533 Q CB -0.515 28.296 28.738 0.123 0.000 0.913 533 Q HN 0.404 nan 8.270 nan 0.000 0.420 534 T N 1.388 115.975 114.554 0.055 0.000 2.567 534 T HA -0.320 4.029 4.350 -0.000 0.000 0.261 534 T C 1.683 176.285 174.700 -0.163 0.000 1.123 534 T CA 2.191 64.291 62.100 -0.000 0.000 1.166 534 T CB -0.527 68.382 68.868 0.067 0.000 0.860 534 T HN 0.381 nan 8.240 nan 0.000 0.436 535 K N 0.314 120.609 120.400 -0.175 0.000 2.113 535 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 535 K C 2.407 178.824 176.600 -0.306 0.000 1.047 535 K CA 1.798 57.946 56.287 -0.232 0.000 0.928 535 K CB -0.396 31.951 32.500 -0.255 0.000 0.716 535 K HN 0.314 nan 8.250 nan 0.000 0.446 536 T N 0.327 114.634 114.554 -0.412 0.000 2.746 536 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 536 T C 1.538 176.101 174.700 -0.229 0.000 1.039 536 T CA 1.250 63.147 62.100 -0.339 0.000 1.142 536 T CB -0.274 68.366 68.868 -0.380 0.000 0.866 536 T HN 0.363 nan 8.240 nan 0.000 0.444 537 H N 0.946 119.933 119.070 -0.139 0.000 2.372 537 H HA 0.109 4.665 4.556 -0.000 0.000 0.301 537 H C 2.365 177.431 175.328 -0.436 0.000 1.065 537 H CA 0.997 56.990 56.048 -0.092 0.000 1.364 537 H CB -0.147 29.584 29.762 -0.052 0.000 1.406 537 H HN 0.500 nan 8.280 nan 0.000 0.521 538 E N -0.034 119.602 120.200 -0.940 0.000 2.171 538 E HA -0.232 4.117 4.350 -0.000 0.000 0.197 538 E C 1.700 178.071 176.600 -0.381 0.000 0.997 538 E CA 1.344 56.882 56.400 -1.438 0.000 0.810 538 E CB -0.039 28.996 29.700 -1.108 0.000 0.738 538 E HN 0.459 nan 8.360 nan 0.000 0.467 539 Y N 0.637 120.740 120.300 -0.328 0.000 2.301 539 Y HA -0.025 4.524 4.550 -0.000 0.000 0.295 539 Y C 2.148 177.937 175.900 -0.185 0.000 1.126 539 Y CA 0.899 58.757 58.100 -0.403 0.000 1.154 539 Y CB 0.326 38.506 38.460 -0.466 0.000 1.075 539 Y HN -0.111 nan 8.280 nan 0.000 0.534 540 Q N -0.257 119.545 119.800 0.003 0.000 2.123 540 Q HA -0.236 4.103 4.340 -0.000 0.000 0.199 540 Q C 2.102 178.131 176.000 0.048 0.000 0.966 540 Q CA 1.449 57.255 55.803 0.006 0.000 0.845 540 Q CB -0.639 28.208 28.738 0.181 0.000 0.907 540 Q HN 0.723 nan 8.270 nan 0.000 0.439 541 W N 1.939 123.325 121.300 0.142 0.000 2.321 541 W HA -0.266 4.394 4.660 -0.000 0.000 0.306 541 W C 2.171 178.716 176.519 0.043 0.000 1.217 541 W CA 1.889 59.359 57.345 0.209 0.000 1.257 541 W CB -0.144 29.505 29.460 0.315 0.000 1.145 541 W HN 0.234 nan 8.180 nan 0.000 0.509 542 S N 0.288 115.843 115.700 -0.242 0.000 2.447 542 S HA -0.189 4.281 4.470 -0.000 0.000 0.233 542 S C 1.548 175.884 174.600 -0.439 0.000 1.006 542 S CA 1.278 59.245 58.200 -0.389 0.000 0.957 542 S CB -0.637 62.459 63.200 -0.173 0.000 0.773 542 S HN 0.136 nan 8.310 nan 0.000 0.507 543 I N 1.938 122.229 120.570 -0.465 0.000 2.333 543 I HA 0.109 4.279 4.170 -0.000 0.000 0.246 543 I C 2.370 178.312 176.117 -0.292 0.000 1.106 543 I CA 0.012 61.101 61.300 -0.352 0.000 1.411 543 I CB -1.315 36.467 38.000 -0.364 0.000 1.082 543 I HN 0.303 nan 8.210 nan 0.000 0.420 544 I N 0.771 121.123 120.570 -0.363 0.000 2.127 544 I HA -0.352 3.818 4.170 -0.000 0.000 0.241 544 I C 2.581 178.446 176.117 -0.420 0.000 1.075 544 I CA 1.491 62.594 61.300 -0.328 0.000 1.334 544 I CB -0.466 37.370 38.000 -0.274 0.000 1.040 544 I HN 0.214 nan 8.210 nan 0.000 0.405 545 K N 0.626 120.516 120.400 -0.850 0.000 2.173 545 K HA -0.263 4.057 4.320 -0.000 0.000 0.207 545 K C 1.047 177.476 176.600 -0.285 0.000 1.046 545 K CA 2.087 57.948 56.287 -0.709 0.000 0.929 545 K CB -0.061 31.906 32.500 -0.888 0.000 0.720 545 K HN 0.296 nan 8.250 nan 0.000 0.453 546 D N -0.841 119.457 120.400 -0.169 0.000 2.339 546 D HA 0.027 4.667 4.640 -0.000 0.000 0.217 546 D C -0.424 175.827 176.300 -0.083 0.000 1.050 546 D CA 0.486 54.439 54.000 -0.079 0.000 0.856 546 D CB 0.257 41.019 40.800 -0.064 0.000 0.922 546 D HN 0.227 nan 8.370 nan 0.000 0.518 547 H N -0.061 118.935 119.070 -0.124 0.000 2.632 547 H HA 0.217 4.773 4.556 -0.000 0.000 0.258 547 H C -1.572 173.741 175.328 -0.024 0.000 1.278 547 H CA -1.920 54.096 56.048 -0.053 0.000 1.352 547 H CB 1.283 31.029 29.762 -0.027 0.000 1.418 547 H HN -0.128 nan 8.280 nan 0.000 0.513 548 P HA -0.248 nan 4.420 nan 0.000 0.222 548 P C 1.358 178.694 177.300 0.060 0.000 1.142 548 P CA 1.011 64.120 63.100 0.015 0.000 0.788 548 P CB 0.228 31.924 31.700 -0.007 0.000 0.767 549 Y N 0.890 121.189 120.300 -0.001 0.000 2.333 549 Y HA -0.060 4.490 4.550 -0.000 0.000 0.290 549 Y C 1.129 177.032 175.900 0.005 0.000 1.144 549 Y CA 0.643 58.742 58.100 -0.002 0.000 1.228 549 Y CB -0.736 37.719 38.460 -0.008 0.000 0.985 549 Y HN -0.199 nan 8.280 nan 0.000 0.542 550 I N 2.184 122.772 120.570 0.029 0.000 2.389 550 I HA -0.121 4.048 4.170 -0.000 0.000 0.295 550 I C 0.911 176.985 176.117 -0.071 0.000 1.117 550 I CA -0.174 61.100 61.300 -0.043 0.000 1.317 550 I CB 0.418 38.437 38.000 0.031 0.000 1.431 550 I HN 0.267 nan 8.210 nan 0.000 0.521 551 I N 5.110 125.609 120.570 -0.119 0.000 2.361 551 I HA -0.097 4.073 4.170 -0.000 0.000 0.251 551 I C 1.200 177.275 176.117 -0.069 0.000 1.133 551 I CA 1.030 62.283 61.300 -0.079 0.000 1.413 551 I CB -0.961 36.997 38.000 -0.069 0.000 1.073 551 I HN 0.634 nan 8.210 nan 0.000 0.424 552 A N -0.146 122.648 122.820 -0.043 0.000 2.612 552 A HA 0.614 4.934 4.320 -0.000 0.000 0.293 552 A C -0.528 177.016 177.584 -0.067 0.000 1.075 552 A CA -0.222 51.743 52.037 -0.120 0.000 0.680 552 A CB 1.400 20.288 19.000 -0.187 0.000 1.279 552 A HN 0.145 nan 8.150 nan 0.000 0.411 553 S N 0.006 115.601 115.700 -0.175 0.000 2.557 553 S HA 0.785 5.255 4.470 -0.000 0.000 0.291 553 S C -1.490 172.997 174.600 -0.188 0.000 1.116 553 S CA -0.446 57.742 58.200 -0.021 0.000 0.992 553 S CB 0.871 64.138 63.200 0.113 0.000 1.028 553 S HN 0.642 nan 8.310 nan 0.000 0.484 554 Y N 2.865 123.257 120.300 0.154 0.000 2.328 554 Y HA 0.516 5.065 4.550 -0.000 0.000 0.336 554 Y C 0.057 176.053 175.900 0.159 0.000 0.960 554 Y CA -1.211 56.926 58.100 0.061 0.000 1.134 554 Y CB 1.347 39.713 38.460 -0.158 0.000 1.166 554 Y HN 0.806 nan 8.280 nan 0.000 0.464 555 L N 0.640 121.936 121.223 0.122 0.000 2.421 555 L HA 0.457 4.797 4.340 -0.000 0.000 0.263 555 L C -0.732 176.117 176.870 -0.034 0.000 1.122 555 L CA -1.224 53.461 54.840 -0.257 0.000 0.804 555 L CB 0.988 42.672 42.059 -0.624 0.000 1.150 555 L HN 0.728 nan 8.230 nan 0.000 0.457 556 W N 3.516 124.649 121.300 -0.278 0.000 2.411 556 W HA 0.511 5.171 4.660 -0.000 0.000 0.317 556 W C -0.981 175.486 176.519 -0.087 0.000 1.030 556 W CA -0.462 56.821 57.345 -0.104 0.000 1.239 556 W CB 1.820 31.323 29.460 0.071 0.000 1.304 556 W HN 0.872 nan 8.180 nan 0.000 0.437 557 N N 3.218 121.762 118.700 -0.260 0.000 2.647 557 N HA 0.242 4.981 4.740 -0.000 0.000 0.266 557 N C 0.598 175.863 175.510 -0.409 0.000 1.373 557 N CA -0.516 52.239 53.050 -0.491 0.000 0.807 557 N CB 1.760 39.770 38.487 -0.797 0.000 1.513 557 N HN 0.340 nan 8.380 nan 0.000 0.505 558 M N 0.507 119.820 119.600 -0.479 0.000 2.296 558 M HA 0.332 4.812 4.480 -0.000 0.000 0.265 558 M C -1.168 174.591 176.300 -0.901 0.000 1.064 558 M CA 1.611 56.484 55.300 -0.712 0.000 1.109 558 M CB 0.005 32.106 32.600 -0.831 0.000 1.396 558 M HN 0.432 nan 8.290 nan 0.000 0.430 559 F N -0.399 119.484 119.950 -0.113 0.000 2.591 559 F HA 0.334 4.861 4.527 -0.000 0.000 0.309 559 F C -0.342 175.456 175.800 -0.004 0.000 1.098 559 F CA -2.035 55.941 58.000 -0.039 0.000 0.937 559 F CB 0.726 39.733 39.000 0.011 0.000 1.250 559 F HN -0.259 nan 8.300 nan 0.000 0.447 560 D N 2.446 122.933 120.400 0.146 0.000 2.449 560 D HA 0.274 4.914 4.640 -0.000 0.000 0.236 560 D C -0.410 175.726 176.300 -0.273 0.000 1.149 560 D CA 0.811 54.769 54.000 -0.071 0.000 0.878 560 D CB 0.529 41.278 40.800 -0.085 0.000 1.198 560 D HN 0.376 nan 8.370 nan 0.000 0.446 561 F N -1.537 118.054 119.950 -0.599 0.000 2.664 561 F HA 0.700 5.227 4.527 -0.000 0.000 0.317 561 F C -0.505 174.901 175.800 -0.656 0.000 1.108 561 F CA -1.660 55.774 58.000 -0.944 0.000 0.957 561 F CB 0.702 39.475 39.000 -0.378 0.000 1.365 561 F HN 0.268 nan 8.300 nan 0.000 0.475 562 A N 0.728 123.370 122.820 -0.297 0.000 2.462 562 A HA 0.567 4.887 4.320 -0.000 0.000 0.243 562 A C -0.565 177.029 177.584 0.017 0.000 1.076 562 A CA -0.334 51.710 52.037 0.011 0.000 0.773 562 A CB 0.251 19.421 19.000 0.282 0.000 1.010 562 A HN 0.938 nan 8.150 nan 0.000 0.493 563 V N 4.779 124.691 119.914 -0.003 0.000 2.467 563 V HA 0.191 4.311 4.120 -0.000 0.000 0.260 563 V C -2.090 174.016 176.094 0.020 0.000 0.963 563 V CA -0.594 61.741 62.300 0.058 0.000 0.856 563 V CB 1.159 33.053 31.823 0.118 0.000 1.087 563 V HN 0.779 nan 8.190 nan 0.000 0.467 564 P HA -0.107 nan 4.420 nan 0.000 0.225 564 P C 1.741 179.008 177.300 -0.054 0.000 1.148 564 P CA 0.716 63.749 63.100 -0.110 0.000 0.779 564 P CB 0.241 31.662 31.700 -0.464 0.000 0.780 565 M N -2.165 117.304 119.600 -0.218 0.000 2.213 565 M HA -0.019 4.461 4.480 -0.000 0.000 0.263 565 M C 0.032 175.888 176.300 -0.740 0.000 1.062 565 M CA 1.411 56.332 55.300 -0.631 0.000 1.105 565 M CB -0.559 31.381 32.600 -1.099 0.000 1.385 565 M HN -0.121 nan 8.290 nan 0.000 0.417 566 W N -2.832 118.542 121.300 0.124 0.000 3.032 566 W HA 0.487 5.147 4.660 -0.000 0.000 0.341 566 W C -0.595 175.990 176.519 0.111 0.000 1.202 566 W CA -1.107 56.311 57.345 0.120 0.000 1.132 566 W CB 0.909 30.450 29.460 0.135 0.000 1.465 566 W HN -0.290 nan 8.180 nan 0.000 0.576 567 T N 1.916 116.716 114.554 0.409 0.000 2.934 567 T HA 0.587 4.937 4.350 -0.000 0.000 0.328 567 T C -0.784 174.038 174.700 0.203 0.000 1.068 567 T CA -0.441 61.807 62.100 0.247 0.000 1.018 567 T CB -0.082 68.893 68.868 0.178 0.000 1.009 567 T HN 0.377 nan 8.240 nan 0.000 0.471 568 R N 1.747 122.363 120.500 0.193 0.000 2.856 568 R HA 0.771 5.111 4.340 -0.000 0.000 0.258 568 R C 1.428 177.689 176.300 -0.064 0.000 1.066 568 R CA 0.382 56.567 56.100 0.141 0.000 1.045 568 R CB 0.856 31.378 30.300 0.369 0.000 1.178 568 R HN 0.738 nan 8.270 nan 0.000 0.499 569 G N -0.217 108.277 108.800 -0.511 0.000 2.186 569 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.266 569 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.266 569 G C 0.891 175.609 174.900 -0.304 0.000 0.982 569 G CA 1.034 45.605 45.100 -0.882 0.000 0.670 569 G HN 1.295 nan 8.290 nan 0.000 0.533 570 G N -3.002 105.724 108.800 -0.124 0.000 2.179 570 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.260 570 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.260 570 G C 0.330 175.231 174.900 0.002 0.000 0.977 570 G CA 0.688 45.783 45.100 -0.009 0.000 0.641 570 G HN 1.673 nan 8.290 nan 0.000 0.533 571 V N 3.158 123.064 119.914 -0.013 0.000 2.378 571 V HA 0.521 4.641 4.120 -0.000 0.000 0.288 571 V C -1.778 174.357 176.094 0.069 0.000 1.016 571 V CA -1.585 60.728 62.300 0.020 0.000 0.840 571 V CB 2.156 33.972 31.823 -0.012 0.000 0.994 571 V HN 0.192 nan 8.190 nan 0.000 0.431 572 P HA 0.214 nan 4.420 nan 0.000 0.271 572 P C 0.206 177.603 177.300 0.161 0.000 1.216 572 P CA 0.580 63.762 63.100 0.136 0.000 0.771 572 P CB 1.167 32.951 31.700 0.139 0.000 0.864 573 A N 1.165 124.083 122.820 0.162 0.000 2.846 573 A HA -0.209 4.111 4.320 -0.000 0.000 0.287 573 A C 0.255 177.906 177.584 0.111 0.000 1.469 573 A CA 1.112 53.236 52.037 0.145 0.000 0.757 573 A CB -2.367 16.727 19.000 0.157 0.000 1.033 573 A HN 0.697 nan 8.150 nan 0.000 0.516 574 R N 0.472 121.010 120.500 0.064 0.000 2.538 574 R HA 0.523 4.863 4.340 -0.000 0.000 0.292 574 R C -0.788 175.427 176.300 -0.142 0.000 1.008 574 R CA -0.431 55.638 56.100 -0.052 0.000 0.896 574 R CB 0.810 31.115 30.300 0.008 0.000 1.187 574 R HN 0.425 nan 8.270 nan 0.000 0.440 575 N N 4.880 123.311 118.700 -0.448 0.000 2.422 575 N HA 0.192 4.932 4.740 -0.000 0.000 0.266 575 N C -0.335 174.934 175.510 -0.400 0.000 1.007 575 N CA -0.055 52.689 53.050 -0.509 0.000 0.941 575 N CB 0.995 38.789 38.487 -1.155 0.000 1.115 575 N HN 0.713 nan 8.380 nan 0.000 0.492 576 M N 3.085 122.583 119.600 -0.169 0.000 2.560 576 M HA 0.162 4.641 4.480 -0.000 0.000 0.297 576 M C 0.918 177.150 176.300 -0.113 0.000 1.201 576 M CA -0.074 55.164 55.300 -0.103 0.000 0.973 576 M CB 0.468 33.070 32.600 0.002 0.000 1.401 576 M HN 0.293 nan 8.290 nan 0.000 0.497 577 K N 0.431 120.741 120.400 -0.150 0.000 2.487 577 K HA 0.145 4.465 4.320 -0.000 0.000 0.192 577 K C 0.957 177.489 176.600 -0.113 0.000 1.027 577 K CA -0.050 56.159 56.287 -0.131 0.000 1.054 577 K CB -0.144 32.316 32.500 -0.068 0.000 0.824 577 K HN 0.340 nan 8.250 nan 0.000 0.510 578 G N 1.074 109.807 108.800 -0.111 0.000 2.554 578 G HA2 0.058 4.018 3.960 -0.000 0.000 0.238 578 G HA3 0.058 4.018 3.960 -0.000 0.000 0.238 578 G C 0.711 175.535 174.900 -0.126 0.000 1.259 578 G CA -0.488 44.535 45.100 -0.129 0.000 0.843 578 G HN 0.124 nan 8.290 nan 0.000 0.582 579 L N 0.521 121.625 121.223 -0.199 0.000 2.492 579 L HA 0.308 4.648 4.340 -0.000 0.000 0.223 579 L C 0.645 177.464 176.870 -0.086 0.000 1.132 579 L CA 0.563 55.322 54.840 -0.136 0.000 0.850 579 L CB -0.389 41.562 42.059 -0.180 0.000 0.966 579 L HN 0.308 nan 8.230 nan 0.000 0.454 580 I N -0.914 119.593 120.570 -0.104 0.000 2.769 580 I HA 0.190 4.360 4.170 -0.000 0.000 0.298 580 I C 0.238 176.416 176.117 0.102 0.000 1.128 580 I CA -0.720 60.573 61.300 -0.012 0.000 1.031 580 I CB 2.467 40.485 38.000 0.031 0.000 1.235 580 I HN -0.073 nan 8.210 nan 0.000 0.423 581 T N 0.803 115.404 114.554 0.078 0.000 2.898 581 T HA 0.088 4.438 4.350 -0.000 0.000 0.301 581 T C 1.033 175.815 174.700 0.136 0.000 1.049 581 T CA -0.257 61.887 62.100 0.073 0.000 1.095 581 T CB 0.754 69.623 68.868 0.002 0.000 0.976 581 T HN 0.436 nan 8.240 nan 0.000 0.539 582 F N 2.286 122.201 119.950 -0.059 0.000 2.147 582 F HA -0.136 4.391 4.527 -0.000 0.000 0.301 582 F C 1.853 177.568 175.800 -0.143 0.000 1.084 582 F CA 1.941 59.916 58.000 -0.041 0.000 1.268 582 F CB -0.811 38.217 39.000 0.047 0.000 1.009 582 F HN 0.806 nan 8.300 nan 0.000 0.486 583 D N -0.826 119.515 120.400 -0.097 0.000 2.336 583 D HA -0.102 4.538 4.640 -0.000 0.000 0.229 583 D C 0.970 177.025 176.300 -0.409 0.000 1.061 583 D CA 0.202 54.072 54.000 -0.215 0.000 0.875 583 D CB -0.423 40.291 40.800 -0.144 0.000 0.904 583 D HN 0.146 nan 8.370 nan 0.000 0.525 584 R N -0.834 119.412 120.500 -0.423 0.000 3.989 584 R HA -0.176 4.164 4.340 -0.000 0.000 0.377 584 R C 0.950 177.168 176.300 -0.138 0.000 1.158 584 R CA 1.212 57.062 56.100 -0.416 0.000 1.035 584 R CB -2.240 27.368 30.300 -1.153 0.000 1.557 584 R HN 0.348 nan 8.270 nan 0.000 0.551 585 K N -1.170 119.176 120.400 -0.089 0.000 2.308 585 K HA 0.172 4.492 4.320 -0.000 0.000 0.197 585 K C -0.066 176.547 176.600 0.021 0.000 1.049 585 K CA 0.992 57.269 56.287 -0.016 0.000 0.991 585 K CB 0.787 33.271 32.500 -0.026 0.000 0.836 585 K HN 0.075 nan 8.250 nan 0.000 0.500 586 T N 1.880 116.440 114.554 0.010 0.000 2.840 586 T HA 0.285 4.635 4.350 -0.000 0.000 0.287 586 T C -0.818 173.881 174.700 -0.002 0.000 0.991 586 T CA -0.723 61.392 62.100 0.025 0.000 0.964 586 T CB 2.042 70.932 68.868 0.036 0.000 0.954 586 T HN -0.104 nan 8.240 nan 0.000 0.438 587 K N 2.737 123.114 120.400 -0.038 0.000 2.276 587 K HA 0.395 4.715 4.320 -0.000 0.000 0.283 587 K C 0.288 176.935 176.600 0.079 0.000 1.044 587 K CA -0.543 55.649 56.287 -0.158 0.000 0.944 587 K CB 1.098 33.248 32.500 -0.584 0.000 1.012 587 K HN 0.414 nan 8.250 nan 0.000 0.472 588 K N 1.126 121.575 120.400 0.081 0.000 2.179 588 K HA 0.093 4.413 4.320 -0.000 0.000 0.238 588 K C 0.408 177.192 176.600 0.306 0.000 1.033 588 K CA -0.800 55.600 56.287 0.188 0.000 0.926 588 K CB 0.515 33.088 32.500 0.121 0.000 1.151 588 K HN 0.426 nan 8.250 nan 0.000 0.492 589 D N 0.299 120.916 120.400 0.361 0.000 2.144 589 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 589 D C 1.672 178.203 176.300 0.383 0.000 0.978 589 D CA 1.352 55.647 54.000 0.491 0.000 0.833 589 D CB -0.196 40.888 40.800 0.475 0.000 0.961 589 D HN 0.336 nan 8.370 nan 0.000 0.470 590 S N 0.134 115.973 115.700 0.231 0.000 2.387 590 S HA -0.230 4.240 4.470 -0.000 0.000 0.230 590 S C 1.793 176.392 174.600 -0.003 0.000 1.035 590 S CA 0.753 59.025 58.200 0.120 0.000 1.014 590 S CB -0.544 62.676 63.200 0.032 0.000 0.836 590 S HN 0.382 nan 8.310 nan 0.000 0.466 591 Y N 1.383 121.569 120.300 -0.190 0.000 2.102 591 Y HA -0.258 4.292 4.550 -0.000 0.000 0.280 591 Y C 1.628 177.183 175.900 -0.573 0.000 1.178 591 Y CA 1.693 59.520 58.100 -0.454 0.000 1.146 591 Y CB -0.416 37.652 38.460 -0.653 0.000 0.968 591 Y HN 0.238 nan 8.280 nan 0.000 0.504 592 F N -1.431 118.410 119.950 -0.182 0.000 2.615 592 F HA -0.086 4.440 4.527 -0.000 0.000 0.297 592 F C 2.285 177.934 175.800 -0.252 0.000 1.124 592 F CA 0.673 58.481 58.000 -0.320 0.000 1.451 592 F CB -0.794 37.725 39.000 -0.801 0.000 1.103 592 F HN 0.340 nan 8.300 nan 0.000 0.569 593 W N -0.187 120.916 121.300 -0.328 0.000 2.407 593 W HA -0.236 4.424 4.660 -0.000 0.000 0.305 593 W C 1.454 177.344 176.519 -1.048 0.000 1.196 593 W CA 1.526 58.358 57.345 -0.855 0.000 1.311 593 W CB -0.845 28.116 29.460 -0.833 0.000 1.135 593 W HN 0.078 nan 8.180 nan 0.000 0.514 594 Y N 1.422 121.056 120.300 -1.110 0.000 2.200 594 Y HA -0.175 4.375 4.550 -0.000 0.000 0.290 594 Y C 2.734 177.825 175.900 -1.347 0.000 1.137 594 Y CA 2.435 59.475 58.100 -1.766 0.000 1.163 594 Y CB -0.973 36.268 38.460 -2.031 0.000 0.988 594 Y HN -0.091 nan 8.280 nan 0.000 0.518 595 K N 0.369 120.266 120.400 -0.838 0.000 2.009 595 K HA -0.238 4.082 4.320 -0.000 0.000 0.210 595 K C 2.314 178.647 176.600 -0.445 0.000 1.049 595 K CA 1.519 57.453 56.287 -0.588 0.000 0.929 595 K CB -0.401 31.776 32.500 -0.538 0.000 0.714 595 K HN 0.234 nan 8.250 nan 0.000 0.440 596 A N 1.448 123.999 122.820 -0.447 0.000 1.908 596 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 596 A C 1.842 179.136 177.584 -0.483 0.000 1.181 596 A CA 1.860 53.678 52.037 -0.363 0.000 0.627 596 A CB -0.688 18.146 19.000 -0.276 0.000 0.818 596 A HN 0.452 nan 8.150 nan 0.000 0.445 597 N N -2.067 116.127 118.700 -0.842 0.000 2.459 597 N HA -0.110 4.630 4.740 -0.000 0.000 0.181 597 N C 0.996 176.273 175.510 -0.389 0.000 1.046 597 N CA 1.101 53.682 53.050 -0.782 0.000 0.904 597 N CB -0.044 37.592 38.487 -1.419 0.000 0.964 597 N HN 0.726 nan 8.380 nan 0.000 0.444 598 W N 0.133 121.064 121.300 -0.615 0.000 3.772 598 W HA 0.306 4.965 4.660 -0.000 0.000 0.224 598 W C 1.398 177.754 176.519 -0.271 0.000 1.009 598 W CA -0.427 56.580 57.345 -0.563 0.000 1.889 598 W CB -1.071 28.001 29.460 -0.647 0.000 0.909 598 W HN -0.311 nan 8.180 nan 0.000 0.794 599 S N 1.089 116.781 115.700 -0.013 0.000 2.608 599 S HA 0.087 4.557 4.470 -0.000 0.000 0.261 599 S C 0.680 175.253 174.600 -0.046 0.000 1.314 599 S CA 0.251 58.430 58.200 -0.034 0.000 0.992 599 S CB 0.792 63.948 63.200 -0.074 0.000 0.935 599 S HN 0.262 nan 8.310 nan 0.000 0.564 600 E N -0.021 120.156 120.200 -0.037 0.000 2.660 600 E HA 0.225 4.575 4.350 -0.000 0.000 0.216 600 E C -0.554 176.024 176.600 -0.036 0.000 0.986 600 E CA -0.217 56.162 56.400 -0.035 0.000 1.037 600 E CB 0.433 30.118 29.700 -0.025 0.000 1.041 600 E HN 0.599 nan 8.360 nan 0.000 0.480 601 E N 3.559 123.736 120.200 -0.039 0.000 2.313 601 E HA 0.145 4.495 4.350 -0.000 0.000 0.276 601 E C -2.252 174.302 176.600 -0.078 0.000 1.031 601 E CA -2.392 53.985 56.400 -0.037 0.000 0.857 601 E CB 0.579 30.271 29.700 -0.013 0.000 1.040 601 E HN -0.014 nan 8.360 nan 0.000 0.408 602 P HA -0.091 nan 4.420 nan 0.000 0.263 602 P C -0.704 176.469 177.300 -0.211 0.000 1.175 602 P CA 0.382 63.318 63.100 -0.274 0.000 0.761 602 P CB 0.527 31.861 31.700 -0.611 0.000 0.794 603 V N 4.781 124.602 119.914 -0.155 0.000 2.686 603 V HA 0.420 4.540 4.120 -0.000 0.000 0.306 603 V C -0.364 175.737 176.094 0.012 0.000 1.065 603 V CA -0.585 61.696 62.300 -0.033 0.000 0.894 603 V CB 2.053 33.893 31.823 0.028 0.000 1.004 603 V HN 0.401 nan 8.190 nan 0.000 0.424 604 L N 5.841 127.103 121.223 0.064 0.000 2.491 604 L HA 0.680 5.019 4.340 -0.000 0.000 0.267 604 L C -1.817 175.138 176.870 0.141 0.000 0.971 604 L CA -0.266 54.633 54.840 0.098 0.000 0.857 604 L CB 1.516 43.604 42.059 0.048 0.000 1.226 604 L HN 0.666 nan 8.230 nan 0.000 0.408 605 Y N 4.956 125.247 120.300 -0.016 0.000 2.362 605 Y HA 0.599 5.149 4.550 -0.000 0.000 0.326 605 Y C -1.643 174.148 175.900 -0.182 0.000 1.083 605 Y CA -0.752 57.267 58.100 -0.135 0.000 1.073 605 Y CB 1.519 39.889 38.460 -0.150 0.000 1.211 605 Y HN 0.563 nan 8.280 nan 0.000 0.433 606 L N 5.905 126.810 121.223 -0.529 0.000 2.331 606 L HA 0.416 4.756 4.340 -0.000 0.000 0.278 606 L C 0.622 177.106 176.870 -0.644 0.000 1.106 606 L CA -0.397 54.163 54.840 -0.467 0.000 0.824 606 L CB 1.272 43.093 42.059 -0.397 0.000 1.142 606 L HN 0.790 nan 8.230 nan 0.000 0.443 607 T N -0.509 113.841 114.554 -0.339 0.000 2.874 607 T HA 0.250 4.600 4.350 -0.000 0.000 0.281 607 T C 0.375 175.103 174.700 0.047 0.000 0.994 607 T CA -0.543 61.473 62.100 -0.140 0.000 1.015 607 T CB 1.443 70.274 68.868 -0.062 0.000 1.028 607 T HN 0.716 nan 8.240 nan 0.000 0.523 608 Q N -1.111 118.770 119.800 0.135 0.000 2.385 608 Q HA -0.260 4.079 4.340 -0.000 0.000 0.215 608 Q C 1.503 177.687 176.000 0.307 0.000 0.671 608 Q CA 1.001 56.937 55.803 0.222 0.000 1.335 608 Q CB -1.334 27.572 28.738 0.280 0.000 1.425 608 Q HN 0.954 nan 8.270 nan 0.000 0.781 609 R N 1.716 122.320 120.500 0.175 0.000 2.204 609 R HA -0.177 4.163 4.340 -0.000 0.000 0.253 609 R C 1.502 177.912 176.300 0.183 0.000 1.172 609 R CA 2.134 58.318 56.100 0.140 0.000 0.994 609 R CB -0.043 30.225 30.300 -0.054 0.000 0.874 609 R HN 0.342 nan 8.270 nan 0.000 0.462 610 R N -0.254 120.342 120.500 0.159 0.000 2.334 610 R HA 0.069 4.408 4.340 -0.000 0.000 0.216 610 R C 0.292 176.657 176.300 0.110 0.000 0.905 610 R CA 0.030 56.208 56.100 0.130 0.000 1.064 610 R CB 0.173 30.546 30.300 0.121 0.000 1.046 610 R HN 0.090 nan 8.270 nan 0.000 0.508 611 N N 0.712 119.470 118.700 0.098 0.000 3.209 611 N HA 0.117 4.856 4.740 -0.000 0.000 0.309 611 N C 0.232 175.673 175.510 -0.115 0.000 1.384 611 N CA -0.190 52.858 53.050 -0.003 0.000 1.173 611 N CB 0.818 39.273 38.487 -0.054 0.000 1.460 611 N HN 0.120 nan 8.380 nan 0.000 0.534 612 A N -0.196 122.636 122.820 0.020 0.000 2.169 612 A HA 0.023 4.342 4.320 -0.000 0.000 0.212 612 A C 0.784 178.370 177.584 0.003 0.000 1.153 612 A CA 0.292 52.382 52.037 0.088 0.000 0.756 612 A CB 0.033 19.154 19.000 0.200 0.000 0.813 612 A HN 0.364 nan 8.150 nan 0.000 0.471 613 D N 1.313 121.695 120.400 -0.031 0.000 2.564 613 D HA 0.166 4.806 4.640 -0.000 0.000 0.226 613 D C -0.133 176.132 176.300 -0.058 0.000 1.149 613 D CA -0.340 53.647 54.000 -0.021 0.000 0.994 613 D CB 0.002 40.801 40.800 -0.001 0.000 1.029 613 D HN 0.037 nan 8.370 nan 0.000 0.517 614 R N 1.886 122.347 120.500 -0.065 0.000 2.590 614 R HA 0.108 4.448 4.340 -0.000 0.000 0.274 614 R C 1.090 177.422 176.300 0.052 0.000 1.061 614 R CA 0.117 56.182 56.100 -0.058 0.000 1.081 614 R CB 0.411 30.712 30.300 0.001 0.000 0.984 614 R HN 0.461 nan 8.270 nan 0.000 0.448 615 E N 1.845 122.096 120.200 0.086 0.000 2.065 615 E HA 0.020 4.370 4.350 -0.000 0.000 0.191 615 E C -0.231 176.550 176.600 0.302 0.000 0.960 615 E CA 0.769 57.262 56.400 0.155 0.000 0.824 615 E CB 0.190 30.030 29.700 0.235 0.000 0.793 615 E HN 0.357 nan 8.360 nan 0.000 0.459 616 K N 1.191 121.741 120.400 0.249 0.000 2.156 616 K HA 0.299 4.618 4.320 -0.000 0.000 0.271 616 K C 0.567 177.194 176.600 0.045 0.000 0.995 616 K CA -0.361 56.052 56.287 0.209 0.000 0.890 616 K CB 1.961 34.509 32.500 0.080 0.000 1.073 616 K HN -0.055 nan 8.250 nan 0.000 0.454 617 R N 0.996 121.414 120.500 -0.137 0.000 2.096 617 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 617 R C 0.205 176.347 176.300 -0.263 0.000 1.127 617 R CA 1.454 57.211 56.100 -0.572 0.000 0.968 617 R CB 0.096 30.111 30.300 -0.476 0.000 0.861 617 R HN 0.733 nan 8.270 nan 0.000 0.440 618 T N -1.191 113.292 114.554 -0.119 0.000 2.821 618 T HA 0.372 4.722 4.350 -0.000 0.000 0.307 618 T C -0.344 174.336 174.700 -0.033 0.000 1.034 618 T CA -0.721 61.342 62.100 -0.061 0.000 0.953 618 T CB 1.884 70.728 68.868 -0.038 0.000 0.968 618 T HN -0.074 nan 8.240 nan 0.000 0.462 619 T N 1.548 116.099 114.554 -0.004 0.000 2.888 619 T HA 0.773 5.123 4.350 -0.000 0.000 0.288 619 T C -0.183 174.558 174.700 0.069 0.000 1.063 619 T CA -0.408 61.698 62.100 0.010 0.000 1.010 619 T CB 1.334 70.193 68.868 -0.015 0.000 1.214 619 T HN 0.972 nan 8.240 nan 0.000 0.533 620 A N 0.813 123.678 122.820 0.076 0.000 2.257 620 A HA 0.744 5.064 4.320 -0.000 0.000 0.289 620 A C -0.926 176.788 177.584 0.216 0.000 1.095 620 A CA -0.404 51.707 52.037 0.123 0.000 0.836 620 A CB 0.555 19.607 19.000 0.087 0.000 1.111 620 A HN 0.650 nan 8.150 nan 0.000 0.497 621 V N 0.996 121.052 119.914 0.237 0.000 2.532 621 V HA 0.337 4.457 4.120 -0.000 0.000 0.294 621 V C -0.308 175.948 176.094 0.270 0.000 1.036 621 V CA -0.368 62.092 62.300 0.266 0.000 0.876 621 V CB 1.738 33.663 31.823 0.170 0.000 1.012 621 V HN 0.972 nan 8.190 nan 0.000 0.432 622 T N 4.452 119.129 114.554 0.204 0.000 2.837 622 T HA 0.633 4.983 4.350 -0.000 0.000 0.285 622 T C -0.536 174.226 174.700 0.103 0.000 0.984 622 T CA -0.212 62.001 62.100 0.188 0.000 1.049 622 T CB 1.775 70.759 68.868 0.193 0.000 0.947 622 T HN 0.489 nan 8.240 nan 0.000 0.472 623 V N 4.311 124.344 119.914 0.199 0.000 2.876 623 V HA 0.615 4.735 4.120 -0.000 0.000 0.312 623 V C -1.804 174.527 176.094 0.396 0.000 1.085 623 V CA -0.940 61.442 62.300 0.136 0.000 0.945 623 V CB 1.728 33.642 31.823 0.153 0.000 1.017 623 V HN 0.932 nan 8.190 nan 0.000 0.428 624 Y N 3.914 124.413 120.300 0.331 0.000 2.360 624 Y HA 0.698 5.248 4.550 -0.000 0.000 0.337 624 Y C 0.403 176.450 175.900 0.246 0.000 1.039 624 Y CA -0.556 57.744 58.100 0.334 0.000 1.109 624 Y CB 2.108 40.754 38.460 0.310 0.000 1.201 624 Y HN 0.665 nan 8.280 nan 0.000 0.458 625 S N 2.460 118.420 115.700 0.433 0.000 2.649 625 S HA 0.148 4.617 4.470 -0.000 0.000 0.274 625 S C -0.638 174.081 174.600 0.198 0.000 1.176 625 S CA -0.959 57.404 58.200 0.270 0.000 0.988 625 S CB 0.407 63.745 63.200 0.229 0.000 1.071 625 S HN 0.807 nan 8.310 nan 0.000 0.478 626 N N 4.375 123.111 118.700 0.061 0.000 2.251 626 N HA 0.164 4.904 4.740 -0.000 0.000 0.217 626 N C 0.568 176.083 175.510 0.007 0.000 1.124 626 N CA -0.136 52.918 53.050 0.007 0.000 0.843 626 N CB -0.388 38.062 38.487 -0.063 0.000 1.024 626 N HN 0.800 nan 8.380 nan 0.000 0.501 627 I N -4.374 116.209 120.570 0.022 0.000 3.241 627 I HA 0.654 4.824 4.170 -0.000 0.000 0.333 627 I C 0.127 176.264 176.117 0.033 0.000 1.534 627 I CA -0.701 60.600 61.300 0.002 0.000 0.979 627 I CB 0.595 38.552 38.000 -0.071 0.000 1.497 627 I HN 0.042 nan 8.210 nan 0.000 0.530 628 G N 1.797 110.643 108.800 0.076 0.000 2.788 628 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.686 628 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.686 628 G C -0.137 174.748 174.900 -0.026 0.000 1.147 628 G CA -0.504 44.635 45.100 0.064 0.000 0.755 628 G HN 0.743 nan 8.290 nan 0.000 0.634 629 T N 1.062 115.570 114.554 -0.076 0.000 2.905 629 T HA 0.494 4.844 4.350 -0.000 0.000 0.299 629 T C -1.464 172.984 174.700 -0.420 0.000 1.024 629 T CA 0.291 62.060 62.100 -0.552 0.000 1.151 629 T CB 1.296 70.033 68.868 -0.218 0.000 0.987 629 T HN 0.703 nan 8.240 nan 0.000 0.535 630 P HA 0.534 nan 4.420 nan 0.000 0.287 630 P C -1.035 176.177 177.300 -0.148 0.000 1.290 630 P CA -1.130 61.816 63.100 -0.256 0.000 0.889 630 P CB 1.375 32.941 31.700 -0.223 0.000 1.190 631 K N 0.200 120.507 120.400 -0.155 0.000 2.159 631 K HA 0.537 4.857 4.320 -0.000 0.000 0.266 631 K C -0.923 175.439 176.600 -0.397 0.000 0.975 631 K CA -0.854 55.304 56.287 -0.215 0.000 0.865 631 K CB 1.407 33.732 32.500 -0.292 0.000 1.087 631 K HN 0.166 nan 8.250 nan 0.000 0.446 632 V N 4.120 123.776 119.914 -0.430 0.000 2.407 632 V HA 0.273 4.392 4.120 -0.000 0.000 0.291 632 V C -1.119 174.641 176.094 -0.557 0.000 1.018 632 V CA -0.969 60.989 62.300 -0.569 0.000 0.842 632 V CB 0.552 31.960 31.823 -0.691 0.000 0.996 632 V HN 0.639 nan 8.190 nan 0.000 0.426 633 Y N 4.667 124.830 120.300 -0.228 0.000 2.341 633 Y HA 0.528 5.078 4.550 -0.000 0.000 0.340 633 Y C 0.057 175.827 175.900 -0.216 0.000 0.997 633 Y CA -0.882 57.100 58.100 -0.196 0.000 1.149 633 Y CB 1.574 39.954 38.460 -0.133 0.000 1.171 633 Y HN 0.489 nan 8.280 nan 0.000 0.494 634 L N 5.837 127.031 121.223 -0.049 0.000 2.265 634 L HA 0.312 4.652 4.340 -0.000 0.000 0.288 634 L C 0.126 176.968 176.870 -0.047 0.000 1.058 634 L CA -0.572 54.214 54.840 -0.090 0.000 0.809 634 L CB 0.056 42.052 42.059 -0.105 0.000 1.179 634 L HN 0.690 nan 8.230 nan 0.000 0.429 635 N N 4.776 123.445 118.700 -0.052 0.000 2.686 635 N HA -0.239 4.501 4.740 -0.000 0.000 0.261 635 N C 1.019 176.500 175.510 -0.049 0.000 1.001 635 N CA 1.074 54.100 53.050 -0.041 0.000 0.764 635 N CB -1.088 37.380 38.487 -0.032 0.000 0.898 635 N HN 1.185 nan 8.380 nan 0.000 0.544 636 G N -0.608 108.162 108.800 -0.049 0.000 2.189 636 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.267 636 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.267 636 G C -0.134 174.649 174.900 -0.194 0.000 0.975 636 G CA 0.684 45.712 45.100 -0.120 0.000 0.644 636 G HN 0.594 nan 8.290 nan 0.000 0.537 637 Q N 0.372 120.119 119.800 -0.088 0.000 2.363 637 Q HA 0.421 4.761 4.340 -0.000 0.000 0.265 637 Q C -0.008 176.034 176.000 0.070 0.000 1.032 637 Q CA -0.638 55.120 55.803 -0.076 0.000 0.746 637 Q CB 1.748 30.453 28.738 -0.054 0.000 1.237 637 Q HN 0.515 nan 8.270 nan 0.000 0.475 638 E N 2.951 123.281 120.200 0.217 0.000 2.696 638 E HA -0.125 4.225 4.350 -0.000 0.000 0.270 638 E C -0.739 175.918 176.600 0.095 0.000 0.958 638 E CA 0.460 57.132 56.400 0.453 0.000 0.964 638 E CB 0.608 30.557 29.700 0.414 0.000 0.948 638 E HN 0.474 nan 8.360 nan 0.000 0.472 639 L N 2.240 123.424 121.223 -0.064 0.000 2.448 639 L HA 0.388 4.727 4.340 -0.000 0.000 0.258 639 L C 0.415 177.310 176.870 0.043 0.000 1.104 639 L CA -0.391 54.371 54.840 -0.130 0.000 0.800 639 L CB 1.485 43.249 42.059 -0.492 0.000 1.241 639 L HN 0.663 nan 8.230 nan 0.000 0.472 640 S N -1.842 113.939 115.700 0.135 0.000 2.705 640 S HA 0.771 5.241 4.470 -0.000 0.000 0.280 640 S C 0.088 174.853 174.600 0.275 0.000 1.174 640 S CA -0.058 58.286 58.200 0.240 0.000 0.823 640 S CB 1.771 65.046 63.200 0.126 0.000 1.162 640 S HN 1.074 nan 8.310 nan 0.000 0.487 641 G N 0.003 108.908 108.800 0.176 0.000 2.179 641 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 641 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 641 G C 0.061 174.953 174.900 -0.014 0.000 0.990 641 G CA -0.184 44.977 45.100 0.102 0.000 0.646 641 G HN 1.215 nan 8.290 nan 0.000 0.517 642 I N 1.908 122.390 120.570 -0.147 0.000 2.919 642 I HA 0.315 4.485 4.170 -0.000 0.000 0.299 642 I C 0.794 176.736 176.117 -0.291 0.000 1.221 642 I CA 0.478 61.377 61.300 -0.668 0.000 1.424 642 I CB 0.154 37.662 38.000 -0.820 0.000 1.358 642 I HN 0.535 nan 8.210 nan 0.000 0.551 643 R N 4.762 125.106 120.500 -0.261 0.000 2.867 643 R HA 0.460 4.800 4.340 -0.000 0.000 0.268 643 R C -1.147 175.048 176.300 -0.175 0.000 1.014 643 R CA -0.876 55.132 56.100 -0.154 0.000 0.946 643 R CB 0.436 30.659 30.300 -0.128 0.000 1.208 643 R HN 0.549 nan 8.270 nan 0.000 0.477 644 N N -0.091 118.507 118.700 -0.170 0.000 2.483 644 N HA 0.237 4.977 4.740 -0.000 0.000 0.264 644 N C 0.157 175.452 175.510 -0.359 0.000 1.197 644 N CA 0.516 53.413 53.050 -0.254 0.000 0.927 644 N CB 1.108 39.487 38.487 -0.181 0.000 1.065 644 N HN 0.733 nan 8.380 nan 0.000 0.461 645 G N 0.636 109.128 108.800 -0.513 0.000 2.546 645 G HA2 0.004 3.963 3.960 -0.000 0.000 0.239 645 G HA3 0.004 3.963 3.960 -0.000 0.000 0.239 645 G C -0.094 174.635 174.900 -0.285 0.000 1.476 645 G CA -0.226 44.402 45.100 -0.787 0.000 1.064 645 G HN 0.695 nan 8.290 nan 0.000 0.561 646 Y N 0.205 120.734 120.300 0.381 0.000 2.471 646 Y HA 0.272 4.822 4.550 -0.000 0.000 0.286 646 Y C 1.455 177.461 175.900 0.177 0.000 1.188 646 Y CA 0.426 58.666 58.100 0.233 0.000 1.286 646 Y CB -0.082 38.506 38.460 0.214 0.000 1.072 646 Y HN 0.495 nan 8.280 nan 0.000 0.517 647 T N -4.497 110.236 114.554 0.300 0.000 2.840 647 T HA 0.074 4.423 4.350 -0.000 0.000 0.317 647 T C 0.122 174.814 174.700 -0.014 0.000 1.401 647 T CA -0.699 61.478 62.100 0.128 0.000 1.028 647 T CB 1.480 70.420 68.868 0.121 0.000 1.317 647 T HN 0.126 nan 8.240 nan 0.000 0.495 648 D N 0.905 121.266 120.400 -0.065 0.000 2.411 648 D HA -0.116 4.524 4.640 -0.000 0.000 0.226 648 D C 1.517 177.709 176.300 -0.181 0.000 0.988 648 D CA 1.231 55.153 54.000 -0.129 0.000 0.938 648 D CB -0.454 40.313 40.800 -0.056 0.000 0.883 648 D HN 0.693 nan 8.370 nan 0.000 0.525 649 V N -3.663 116.162 119.914 -0.149 0.000 3.427 649 V HA 0.253 4.372 4.120 -0.000 0.000 0.305 649 V C 0.433 176.542 176.094 0.025 0.000 1.412 649 V CA -0.647 61.609 62.300 -0.074 0.000 1.086 649 V CB -1.106 30.630 31.823 -0.144 0.000 0.964 649 V HN 0.234 nan 8.190 nan 0.000 0.439 650 H N 0.812 119.723 119.070 -0.265 0.000 2.673 650 H HA 0.559 5.115 4.556 -0.000 0.000 0.293 650 H C -1.606 173.558 175.328 -0.274 0.000 1.065 650 H CA -0.751 55.302 56.048 0.009 0.000 1.236 650 H CB 0.756 30.649 29.762 0.218 0.000 1.389 650 H HN 0.452 nan 8.280 nan 0.000 0.481 651 Y N 3.265 123.652 120.300 0.145 0.000 2.393 651 Y HA 0.395 4.945 4.550 -0.000 0.000 0.341 651 Y C -0.396 175.416 175.900 -0.147 0.000 0.988 651 Y CA -1.027 56.998 58.100 -0.125 0.000 1.078 651 Y CB 1.719 40.080 38.460 -0.164 0.000 1.203 651 Y HN 0.193 nan 8.280 nan 0.000 0.453 652 V N 3.089 122.916 119.914 -0.145 0.000 2.540 652 V HA 0.462 4.582 4.120 -0.000 0.000 0.302 652 V C -1.012 174.970 176.094 -0.187 0.000 1.035 652 V CA -1.200 61.050 62.300 -0.082 0.000 0.873 652 V CB 1.253 33.013 31.823 -0.106 0.000 0.992 652 V HN 0.479 nan 8.190 nan 0.000 0.428 653 F N 3.387 123.347 119.950 0.017 0.000 2.361 653 F HA 0.643 5.170 4.527 -0.000 0.000 0.364 653 F C 0.026 175.832 175.800 0.011 0.000 1.120 653 F CA -1.114 56.890 58.000 0.006 0.000 1.102 653 F CB 0.979 39.978 39.000 -0.002 0.000 1.183 653 F HN 0.636 nan 8.300 nan 0.000 0.476 654 D N 1.390 121.881 120.400 0.152 0.000 2.649 654 D HA 0.389 5.029 4.640 -0.000 0.000 0.249 654 D C -1.269 175.077 176.300 0.076 0.000 1.112 654 D CA -0.908 53.153 54.000 0.102 0.000 0.850 654 D CB 0.988 41.820 40.800 0.054 0.000 1.399 654 D HN 0.471 nan 8.370 nan 0.000 0.503 655 N N 0.575 119.313 118.700 0.063 0.000 2.314 655 N HA 0.503 5.243 4.740 -0.000 0.000 0.294 655 N C -0.859 174.679 175.510 0.047 0.000 1.029 655 N CA -0.996 52.085 53.050 0.052 0.000 0.845 655 N CB 2.584 41.085 38.487 0.023 0.000 1.321 655 N HN 0.160 nan 8.380 nan 0.000 0.481 656 V N 1.109 121.055 119.914 0.053 0.000 2.686 656 V HA 0.313 4.433 4.120 -0.000 0.000 0.295 656 V C 0.269 176.364 176.094 0.003 0.000 1.057 656 V CA -0.240 62.077 62.300 0.028 0.000 1.012 656 V CB 1.506 33.357 31.823 0.046 0.000 1.006 656 V HN 0.628 nan 8.190 nan 0.000 0.477 657 S N 4.000 119.688 115.700 -0.021 0.000 2.449 657 S HA 0.606 5.076 4.470 -0.000 0.000 0.310 657 S C -0.634 173.926 174.600 -0.067 0.000 1.096 657 S CA -0.483 57.684 58.200 -0.056 0.000 1.095 657 S CB 1.003 64.173 63.200 -0.049 0.000 1.007 657 S HN 0.401 nan 8.310 nan 0.000 0.474 658 L N 3.050 124.192 121.223 -0.136 0.000 2.350 658 L HA 0.584 4.924 4.340 -0.000 0.000 0.275 658 L C 0.879 177.691 176.870 -0.096 0.000 1.099 658 L CA -0.222 54.550 54.840 -0.112 0.000 0.808 658 L CB 0.519 42.454 42.059 -0.207 0.000 1.149 658 L HN 0.762 nan 8.230 nan 0.000 0.442 659 A N 2.663 125.477 122.820 -0.010 0.000 2.310 659 A HA 0.274 4.594 4.320 -0.000 0.000 0.260 659 A C 0.055 177.695 177.584 0.093 0.000 1.112 659 A CA -0.406 51.646 52.037 0.025 0.000 0.804 659 A CB 0.076 19.095 19.000 0.032 0.000 1.081 659 A HN 0.718 nan 8.150 nan 0.000 0.499 660 D N -0.722 119.749 120.400 0.118 0.000 2.253 660 D HA 0.484 5.124 4.640 -0.000 0.000 0.249 660 D C 0.945 177.321 176.300 0.126 0.000 1.049 660 D CA 1.462 55.570 54.000 0.180 0.000 0.929 660 D CB 1.400 42.290 40.800 0.150 0.000 1.176 660 D HN 1.058 nan 8.370 nan 0.000 0.437 661 G N 1.084 109.960 108.800 0.127 0.000 2.539 661 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.256 661 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.256 661 G C -0.182 174.783 174.900 0.109 0.000 1.233 661 G CA -0.310 44.845 45.100 0.092 0.000 0.936 661 G HN 0.532 nan 8.290 nan 0.000 0.571 662 K N 1.637 122.085 120.400 0.080 0.000 2.484 662 K HA 0.302 4.622 4.320 -0.000 0.000 0.280 662 K C 0.496 177.143 176.600 0.078 0.000 1.013 662 K CA 0.500 56.834 56.287 0.079 0.000 1.029 662 K CB -0.087 32.442 32.500 0.048 0.000 0.902 662 K HN 0.607 nan 8.250 nan 0.000 0.481 663 N N 1.887 120.646 118.700 0.098 0.000 2.284 663 N HA 0.443 5.182 4.740 -0.000 0.000 0.300 663 N C -1.225 174.268 175.510 -0.028 0.000 1.047 663 N CA -0.747 52.337 53.050 0.056 0.000 0.821 663 N CB 1.578 40.139 38.487 0.124 0.000 1.337 663 N HN 0.204 nan 8.380 nan 0.000 0.482 664 I N 2.526 123.047 120.570 -0.082 0.000 2.410 664 I HA 0.341 4.511 4.170 -0.000 0.000 0.286 664 I C -0.421 175.575 176.117 -0.201 0.000 1.009 664 I CA -0.398 60.821 61.300 -0.136 0.000 1.111 664 I CB 1.415 39.366 38.000 -0.081 0.000 1.262 664 I HN 0.310 nan 8.210 nan 0.000 0.443 665 L N 6.531 127.557 121.223 -0.328 0.000 2.262 665 L HA 0.487 4.827 4.340 -0.000 0.000 0.288 665 L C 0.239 176.948 176.870 -0.269 0.000 1.035 665 L CA -0.493 54.134 54.840 -0.355 0.000 0.820 665 L CB 0.758 42.475 42.059 -0.569 0.000 1.204 665 L HN 0.461 nan 8.230 nan 0.000 0.424 666 K N 3.334 123.623 120.400 -0.185 0.000 2.274 666 K HA 0.749 5.069 4.320 -0.000 0.000 0.262 666 K C -1.098 175.371 176.600 -0.219 0.000 0.961 666 K CA -0.422 55.780 56.287 -0.141 0.000 0.833 666 K CB 1.959 34.448 32.500 -0.018 0.000 1.102 666 K HN 0.639 nan 8.250 nan 0.000 0.436 667 A N 3.595 126.294 122.820 -0.202 0.000 2.330 667 A HA 0.657 4.977 4.320 -0.000 0.000 0.327 667 A C -1.056 176.429 177.584 -0.165 0.000 1.155 667 A CA -0.653 51.252 52.037 -0.220 0.000 0.803 667 A CB 1.290 20.199 19.000 -0.152 0.000 1.208 667 A HN 0.420 nan 8.150 nan 0.000 0.477 668 V N 1.506 121.295 119.914 -0.209 0.000 2.876 668 V HA 0.822 4.942 4.120 -0.000 0.000 0.312 668 V C -0.715 175.335 176.094 -0.073 0.000 1.085 668 V CA -0.573 61.664 62.300 -0.105 0.000 0.945 668 V CB 1.756 33.531 31.823 -0.080 0.000 1.017 668 V HN 1.263 nan 8.190 nan 0.000 0.428 669 V N 2.387 122.307 119.914 0.009 0.000 2.882 669 V HA 0.633 4.753 4.120 -0.000 0.000 0.295 669 V C -0.866 175.294 176.094 0.111 0.000 1.273 669 V CA 0.070 62.390 62.300 0.033 0.000 0.949 669 V CB 2.639 34.471 31.823 0.015 0.000 1.071 669 V HN 0.924 nan 8.190 nan 0.000 0.432 670 S N 3.711 119.459 115.700 0.080 0.000 2.509 670 S HA 0.843 5.313 4.470 -0.000 0.000 0.297 670 S C -0.508 174.160 174.600 0.114 0.000 1.118 670 S CA -0.451 57.803 58.200 0.090 0.000 1.074 670 S CB 1.788 65.011 63.200 0.038 0.000 1.038 670 S HN 0.924 nan 8.310 nan 0.000 0.498 671 T N 2.401 117.048 114.554 0.156 0.000 2.965 671 T HA 0.592 4.942 4.350 -0.000 0.000 0.306 671 T C -0.111 174.653 174.700 0.107 0.000 0.991 671 T CA -0.625 61.556 62.100 0.134 0.000 1.001 671 T CB 1.164 70.130 68.868 0.164 0.000 0.984 671 T HN 0.891 nan 8.240 nan 0.000 0.446 672 K N 1.267 121.705 120.400 0.064 0.000 3.419 672 K HA 0.018 4.338 4.320 -0.000 0.000 0.272 672 K C 1.299 177.921 176.600 0.036 0.000 0.973 672 K CA 1.366 57.681 56.287 0.047 0.000 0.749 672 K CB -2.640 29.892 32.500 0.053 0.000 1.403 672 K HN 2.471 nan 8.250 nan 0.000 0.456 673 G N -1.563 107.249 108.800 0.020 0.000 2.168 673 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.263 673 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.263 673 G C 0.102 174.986 174.900 -0.027 0.000 0.977 673 G CA 0.816 45.915 45.100 -0.001 0.000 0.659 673 G HN 1.081 nan 8.290 nan 0.000 0.533 674 K N 0.308 120.688 120.400 -0.033 0.000 2.371 674 K HA 0.519 4.839 4.320 -0.000 0.000 0.251 674 K C -0.830 175.637 176.600 -0.222 0.000 0.934 674 K CA -0.598 55.596 56.287 -0.154 0.000 0.798 674 K CB 1.985 34.382 32.500 -0.171 0.000 1.204 674 K HN 0.317 nan 8.250 nan 0.000 0.427 675 E N 2.595 122.581 120.200 -0.357 0.000 2.212 675 E HA 0.337 4.687 4.350 -0.000 0.000 0.268 675 E C -1.286 175.044 176.600 -0.450 0.000 0.902 675 E CA -0.549 55.700 56.400 -0.253 0.000 0.779 675 E CB 1.103 30.736 29.700 -0.111 0.000 1.172 675 E HN 0.378 nan 8.360 nan 0.000 0.409 676 Y N 0.561 120.861 120.300 -0.001 0.000 2.598 676 Y HA 0.503 5.052 4.550 -0.000 0.000 0.340 676 Y C 0.068 175.958 175.900 -0.017 0.000 1.038 676 Y CA -0.682 57.418 58.100 -0.001 0.000 1.100 676 Y CB 2.647 41.112 38.460 0.010 0.000 1.281 676 Y HN 0.317 nan 8.280 nan 0.000 0.488 677 T N 1.365 116.008 114.554 0.147 0.000 3.172 677 T HA 0.255 4.605 4.350 -0.000 0.000 0.320 677 T C -2.236 172.474 174.700 0.016 0.000 1.085 677 T CA -0.676 61.449 62.100 0.042 0.000 1.052 677 T CB 0.926 69.804 68.868 0.017 0.000 1.107 677 T HN 0.564 nan 8.240 nan 0.000 0.458 678 D N 2.540 122.915 120.400 -0.042 0.000 2.620 678 D HA 0.405 5.045 4.640 -0.000 0.000 0.252 678 D C -0.813 175.400 176.300 -0.146 0.000 1.207 678 D CA -0.362 53.582 54.000 -0.093 0.000 0.884 678 D CB 1.369 42.096 40.800 -0.122 0.000 1.262 678 D HN 0.477 nan 8.370 nan 0.000 0.552 679 E N 3.961 124.078 120.200 -0.138 0.000 2.165 679 E HA 0.541 4.891 4.350 -0.000 0.000 0.266 679 E C -0.850 175.639 176.600 -0.185 0.000 0.889 679 E CA -0.814 55.492 56.400 -0.156 0.000 0.756 679 E CB 0.982 30.622 29.700 -0.100 0.000 1.131 679 E HN 0.574 nan 8.360 nan 0.000 0.411 680 I N 0.429 120.845 120.570 -0.257 0.000 2.892 680 I HA 0.612 4.782 4.170 -0.000 0.000 0.306 680 I C -0.998 174.948 176.117 -0.284 0.000 1.078 680 I CA -0.944 60.200 61.300 -0.260 0.000 1.032 680 I CB 2.168 39.974 38.000 -0.323 0.000 1.229 680 I HN 0.498 nan 8.210 nan 0.000 0.435 681 E N 4.092 124.199 120.200 -0.155 0.000 2.145 681 E HA 0.359 4.709 4.350 -0.000 0.000 0.270 681 E C -1.823 174.854 176.600 0.127 0.000 0.906 681 E CA -0.682 55.678 56.400 -0.066 0.000 0.761 681 E CB 1.025 30.729 29.700 0.007 0.000 1.116 681 E HN 0.529 nan 8.360 nan 0.000 0.408 682 W N 2.199 123.501 121.300 0.002 0.000 2.578 682 W HA 0.469 5.129 4.660 -0.000 0.000 0.364 682 W C -0.313 176.233 176.519 0.044 0.000 1.144 682 W CA -0.999 56.361 57.345 0.026 0.000 1.242 682 W CB 1.057 30.535 29.460 0.031 0.000 1.382 682 W HN 0.440 nan 8.180 nan 0.000 0.625 683 N N 1.441 120.322 118.700 0.301 0.000 2.397 683 N HA 0.201 4.941 4.740 -0.000 0.000 0.291 683 N C -2.066 173.559 175.510 0.191 0.000 1.065 683 N CA -0.535 52.632 53.050 0.195 0.000 0.884 683 N CB 2.629 41.187 38.487 0.118 0.000 1.551 683 N HN 0.419 nan 8.380 nan 0.000 0.487 684 Y N 1.239 121.581 120.300 0.069 0.000 2.462 684 Y HA 0.596 5.145 4.550 -0.000 0.000 0.346 684 Y C -0.948 174.971 175.900 0.032 0.000 0.976 684 Y CA -0.548 57.578 58.100 0.043 0.000 1.044 684 Y CB 1.534 40.025 38.460 0.051 0.000 1.230 684 Y HN 0.602 nan 8.280 nan 0.000 0.455 685 S N 3.552 118.756 115.700 -0.825 0.000 2.325 685 S HA 0.587 5.057 4.470 -0.000 0.000 0.228 685 S C -0.488 173.746 174.600 -0.611 0.000 0.942 685 S CA -0.436 57.458 58.200 -0.511 0.000 1.070 685 S CB 0.244 63.333 63.200 -0.185 0.000 1.232 685 S HN 1.927 nan 8.310 nan 0.000 0.405 686 G N 2.187 110.615 108.800 -0.621 0.000 2.716 686 G HA2 0.000 3.960 3.960 -0.000 0.000 0.686 686 G HA3 0.000 3.960 3.960 -0.000 0.000 0.686 686 G C -0.935 173.775 174.900 -0.318 0.000 1.337 686 G CA -0.911 44.019 45.100 -0.284 0.000 0.829 686 G HN 0.761 nan 8.290 nan 0.000 0.599 687 E N 1.443 121.623 120.200 -0.033 0.000 2.283 687 E HA 0.439 4.789 4.350 -0.000 0.000 0.278 687 E C 0.675 177.268 176.600 -0.011 0.000 1.027 687 E CA 0.000 56.436 56.400 0.060 0.000 0.843 687 E CB 1.583 31.360 29.700 0.128 0.000 1.062 687 E HN 0.528 nan 8.360 nan 0.000 0.401 688 K N 1.539 121.943 120.400 0.007 0.000 2.047 688 K HA 0.434 4.754 4.320 -0.000 0.000 0.244 688 K C -0.212 176.326 176.600 -0.104 0.000 1.048 688 K CA -0.878 55.377 56.287 -0.054 0.000 0.871 688 K CB 1.337 33.800 32.500 -0.062 0.000 1.445 688 K HN 0.386 nan 8.250 nan 0.000 0.514 689 N N 1.097 119.684 118.700 -0.187 0.000 4.193 689 N HA 0.024 4.764 4.740 -0.000 0.000 0.161 689 N C -0.606 174.721 175.510 -0.306 0.000 1.406 689 N CA 0.046 52.851 53.050 -0.408 0.000 0.884 689 N CB 0.533 38.558 38.487 -0.769 0.000 1.738 689 N HN 0.515 nan 8.380 nan 0.000 0.780 690 R N 0.339 120.729 120.500 -0.182 0.000 2.285 690 R HA -0.011 4.329 4.340 -0.000 0.000 0.213 690 R C 1.510 177.546 176.300 -0.441 0.000 1.068 690 R CA 0.611 56.573 56.100 -0.230 0.000 1.004 690 R CB 0.260 30.514 30.300 -0.076 0.000 0.873 690 R HN 0.467 nan 8.270 nan 0.000 0.467 691 E N 1.160 121.167 120.200 -0.322 0.000 2.152 691 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 691 E C 0.993 177.396 176.600 -0.330 0.000 0.983 691 E CA 0.745 56.957 56.400 -0.312 0.000 0.818 691 E CB 0.127 29.808 29.700 -0.031 0.000 0.758 691 E HN 0.301 nan 8.360 nan 0.000 0.467 692 I N 2.332 122.717 120.570 -0.307 0.000 3.496 692 I HA -0.104 4.065 4.170 -0.000 0.000 0.301 692 I C -0.431 175.538 176.117 -0.246 0.000 1.217 692 I CA 0.199 61.352 61.300 -0.245 0.000 1.258 692 I CB -0.235 37.629 38.000 -0.227 0.000 1.047 692 I HN -0.060 nan 8.210 nan 0.000 0.502 693 D N 0.000 120.208 120.400 -0.320 0.000 6.856 693 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 693 D CA 0.000 53.825 54.000 -0.292 0.000 0.868 693 D CB 0.000 40.591 40.800 -0.348 0.000 0.688 693 D HN 0.000 nan 8.370 nan 0.000 0.683