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 1bgm_1_L DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWCQ K 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.145 176.117 0.047 0.000 1.063 3 I CA 0.000 61.328 61.300 0.046 0.000 1.566 3 I CB 0.000 38.016 38.000 0.026 0.000 1.214 4 T N -2.604 111.985 114.554 0.058 0.000 3.107 4 T HA 0.281 4.631 4.350 -0.000 0.000 0.249 4 T C 0.554 175.298 174.700 0.074 0.000 1.096 4 T CA 0.701 62.827 62.100 0.042 0.000 1.012 4 T CB -0.356 68.533 68.868 0.035 0.000 0.977 4 T HN 0.262 nan 8.240 nan 0.000 0.527 5 D N 1.983 122.475 120.400 0.152 0.000 2.424 5 D HA 0.147 4.787 4.640 -0.000 0.000 0.220 5 D C 0.323 176.847 176.300 0.373 0.000 1.150 5 D CA -0.037 54.151 54.000 0.312 0.000 0.831 5 D CB 0.531 41.555 40.800 0.372 0.000 0.981 5 D HN 0.514 nan 8.370 nan 0.000 0.500 6 S N 0.539 116.344 115.700 0.176 0.000 2.430 6 S HA 0.168 4.638 4.470 -0.000 0.000 0.289 6 S C 1.398 176.063 174.600 0.108 0.000 1.143 6 S CA -0.617 57.654 58.200 0.118 0.000 1.067 6 S CB 1.190 64.423 63.200 0.055 0.000 0.964 6 S HN -0.101 nan 8.310 nan 0.000 0.485 7 L N 4.566 125.859 121.223 0.117 0.000 2.095 7 L HA -0.295 4.045 4.340 -0.000 0.000 0.229 7 L C 2.975 179.881 176.870 0.061 0.000 1.097 7 L CA 2.809 57.714 54.840 0.109 0.000 0.813 7 L CB -1.481 40.596 42.059 0.030 0.000 0.907 7 L HN 0.966 nan 8.230 nan 0.000 0.445 8 A N -1.396 121.444 122.820 0.033 0.000 1.915 8 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 8 A C 2.339 179.924 177.584 0.000 0.000 1.198 8 A CA 2.620 54.668 52.037 0.019 0.000 0.647 8 A CB -1.134 17.873 19.000 0.012 0.000 0.825 8 A HN 0.276 nan 8.150 nan 0.000 0.456 9 V N -0.566 119.339 119.914 -0.015 0.000 2.231 9 V HA -0.219 3.901 4.120 -0.000 0.000 0.240 9 V C 2.584 178.603 176.094 -0.125 0.000 1.039 9 V CA 1.861 64.125 62.300 -0.060 0.000 0.998 9 V CB -0.922 30.871 31.823 -0.049 0.000 0.639 9 V HN 0.408 nan 8.190 nan 0.000 0.451 10 V N 0.905 120.713 119.914 -0.176 0.000 2.250 10 V HA -0.332 3.788 4.120 -0.000 0.000 0.253 10 V C 2.139 178.095 176.094 -0.229 0.000 1.065 10 V CA 2.508 64.585 62.300 -0.372 0.000 1.039 10 V CB -1.033 30.532 31.823 -0.431 0.000 0.647 10 V HN 0.552 nan 8.190 nan 0.000 0.446 11 L N -0.277 120.941 121.223 -0.007 0.000 2.610 11 L HA -0.012 4.328 4.340 -0.000 0.000 0.232 11 L C 2.349 179.244 176.870 0.041 0.000 1.149 11 L CA 0.586 55.523 54.840 0.162 0.000 0.872 11 L CB -0.710 41.556 42.059 0.345 0.000 0.992 11 L HN 0.335 nan 8.230 nan 0.000 0.447 12 Q N 1.673 121.444 119.800 -0.049 0.000 2.124 12 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 12 Q C 2.299 178.223 176.000 -0.126 0.000 0.977 12 Q CA 1.718 57.483 55.803 -0.063 0.000 0.850 12 Q CB 0.034 28.730 28.738 -0.070 0.000 0.901 12 Q HN 0.470 nan 8.270 nan 0.000 0.429 13 R N -0.171 120.212 120.500 -0.195 0.000 2.066 13 R HA 0.086 4.426 4.340 -0.000 0.000 0.232 13 R C 0.227 176.304 176.300 -0.371 0.000 1.131 13 R CA 0.878 56.827 56.100 -0.253 0.000 0.955 13 R CB -0.321 29.811 30.300 -0.281 0.000 0.851 13 R HN 0.064 nan 8.270 nan 0.000 0.432 14 R N 1.009 121.174 120.500 -0.558 0.000 2.958 14 R HA -0.105 4.235 4.340 -0.000 0.000 0.277 14 R C -0.716 174.978 176.300 -1.010 0.000 0.940 14 R CA 0.160 55.532 56.100 -1.214 0.000 0.664 14 R CB -1.090 28.684 30.300 -0.878 0.000 1.551 14 R HN 0.366 nan 8.270 nan 0.000 0.455 15 D N -0.024 119.897 120.400 -0.797 0.000 2.269 15 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 15 D C 1.601 177.688 176.300 -0.356 0.000 0.963 15 D CA 1.391 55.042 54.000 -0.582 0.000 0.864 15 D CB -0.096 40.264 40.800 -0.733 0.000 0.936 15 D HN 0.719 nan 8.370 nan 0.000 0.505 16 W N 1.664 122.987 121.300 0.038 0.000 2.961 16 W HA 0.122 4.782 4.660 -0.000 0.000 0.240 16 W C 0.444 177.061 176.519 0.162 0.000 1.305 16 W CA -0.047 57.422 57.345 0.206 0.000 1.465 16 W CB -0.429 29.181 29.460 0.251 0.000 1.135 16 W HN -0.158 nan 8.180 nan 0.000 0.688 17 E N 0.727 120.686 120.200 -0.401 0.000 2.995 17 E HA 0.061 4.411 4.350 -0.000 0.000 0.203 17 E C -0.707 175.741 176.600 -0.253 0.000 0.980 17 E CA -0.192 56.087 56.400 -0.201 0.000 1.172 17 E CB -0.211 29.393 29.700 -0.160 0.000 1.088 17 E HN 0.025 nan 8.360 nan 0.000 0.463 18 N N 1.058 119.630 118.700 -0.213 0.000 2.533 18 N HA 0.185 4.924 4.740 -0.000 0.000 0.289 18 N C -2.315 173.030 175.510 -0.275 0.000 1.103 18 N CA -2.116 50.775 53.050 -0.265 0.000 0.877 18 N CB 1.759 40.096 38.487 -0.251 0.000 1.419 18 N HN -0.222 nan 8.380 nan 0.000 0.517 19 P HA 0.038 nan 4.420 nan 0.000 0.222 19 P C 1.175 178.236 177.300 -0.397 0.000 1.147 19 P CA 0.734 63.462 63.100 -0.620 0.000 0.790 19 P CB 0.247 31.146 31.700 -1.336 0.000 0.780 20 G N -0.069 108.531 108.800 -0.333 0.000 2.402 20 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.216 20 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.216 20 G C 0.408 175.219 174.900 -0.149 0.000 1.162 20 G CA 0.432 45.395 45.100 -0.230 0.000 0.777 20 G HN 0.208 nan 8.290 nan 0.000 0.539 21 V N 0.661 120.499 119.914 -0.127 0.000 2.472 21 V HA 0.576 4.696 4.120 -0.000 0.000 0.290 21 V C 0.770 176.898 176.094 0.056 0.000 1.037 21 V CA 0.343 62.619 62.300 -0.040 0.000 0.908 21 V CB 1.446 33.221 31.823 -0.080 0.000 0.985 21 V HN 0.379 nan 8.190 nan 0.000 0.454 22 T N -0.028 114.597 114.554 0.117 0.000 3.412 22 T HA 0.385 4.735 4.350 -0.000 0.000 0.305 22 T C -0.164 174.596 174.700 0.099 0.000 0.892 22 T CA 0.309 62.483 62.100 0.122 0.000 0.936 22 T CB 0.171 69.059 68.868 0.033 0.000 1.202 22 T HN 0.952 nan 8.240 nan 0.000 0.621 23 Q N 0.292 120.201 119.800 0.182 0.000 3.052 23 Q HA 0.694 5.034 4.340 -0.000 0.000 0.309 23 Q C -2.684 173.467 176.000 0.252 0.000 0.876 23 Q CA -1.024 54.868 55.803 0.149 0.000 0.796 23 Q CB 0.334 29.068 28.738 -0.006 0.000 1.564 23 Q HN 0.139 nan 8.270 nan 0.000 0.469 24 L N 2.533 123.901 121.223 0.242 0.000 2.969 24 L HA 0.467 4.807 4.340 -0.000 0.000 0.250 24 L C -1.281 175.702 176.870 0.190 0.000 0.953 24 L CA 0.185 55.180 54.840 0.260 0.000 1.066 24 L CB 1.207 43.556 42.059 0.484 0.000 1.497 24 L HN 0.845 nan 8.230 nan 0.000 0.512 25 N N 0.648 119.394 118.700 0.077 0.000 2.937 25 N HA -0.186 4.554 4.740 -0.000 0.000 0.248 25 N C 0.265 175.711 175.510 -0.106 0.000 1.069 25 N CA 0.800 53.868 53.050 0.030 0.000 0.822 25 N CB -0.865 37.629 38.487 0.013 0.000 1.122 25 N HN 0.695 nan 8.380 nan 0.000 0.554 26 R N 1.305 121.645 120.500 -0.267 0.000 2.349 26 R HA 0.470 4.810 4.340 -0.000 0.000 0.299 26 R C 0.799 176.902 176.300 -0.329 0.000 1.027 26 R CA -0.585 55.140 56.100 -0.624 0.000 0.958 26 R CB 0.673 30.615 30.300 -0.597 0.000 1.047 26 R HN 0.119 nan 8.270 nan 0.000 0.468 27 L N 2.463 123.511 121.223 -0.292 0.000 2.456 27 L HA 0.104 4.444 4.340 -0.000 0.000 0.266 27 L C 0.801 177.642 176.870 -0.048 0.000 1.258 27 L CA -0.059 54.725 54.840 -0.093 0.000 0.823 27 L CB -0.112 41.950 42.059 0.004 0.000 1.100 27 L HN 0.761 nan 8.230 nan 0.000 0.531 28 A N 0.323 123.168 122.820 0.042 0.000 2.304 28 A HA 0.613 4.933 4.320 -0.000 0.000 0.271 28 A C 0.211 177.874 177.584 0.131 0.000 1.091 28 A CA -0.089 51.986 52.037 0.063 0.000 0.812 28 A CB 0.658 19.712 19.000 0.090 0.000 1.056 28 A HN 0.800 nan 8.150 nan 0.000 0.489 29 A N 0.627 123.473 122.820 0.044 0.000 2.386 29 A HA 0.652 4.972 4.320 -0.000 0.000 0.246 29 A C 0.107 177.722 177.584 0.052 0.000 1.089 29 A CA 0.713 52.720 52.037 -0.050 0.000 0.790 29 A CB -0.177 18.777 19.000 -0.076 0.000 1.042 29 A HN 2.033 nan 8.150 nan 0.000 0.497 30 H N -3.197 115.812 119.070 -0.102 0.000 2.951 30 H HA 0.496 5.052 4.556 -0.000 0.000 0.292 30 H C -3.339 171.790 175.328 -0.333 0.000 1.412 30 H CA -1.508 54.454 56.048 -0.144 0.000 1.206 30 H CB -0.284 29.431 29.762 -0.078 0.000 1.862 30 H HN 0.403 nan 8.280 nan 0.000 0.502 31 P HA 0.088 nan 4.420 nan 0.000 0.278 31 P C -2.488 174.571 177.300 -0.402 0.000 1.268 31 P CA -0.768 62.163 63.100 -0.282 0.000 0.813 31 P CB -0.489 31.042 31.700 -0.282 0.000 1.180 32 P HA 0.291 nan 4.420 nan 0.000 0.292 32 P C -1.013 176.327 177.300 0.067 0.000 1.287 32 P CA 0.254 63.282 63.100 -0.121 0.000 0.800 32 P CB 0.213 31.935 31.700 0.037 0.000 0.945 33 F N 1.159 121.264 119.950 0.258 0.000 2.538 33 F HA 0.663 5.190 4.527 -0.000 0.000 0.325 33 F C 1.101 176.930 175.800 0.047 0.000 1.066 33 F CA -1.164 56.942 58.000 0.176 0.000 0.946 33 F CB 1.105 40.171 39.000 0.110 0.000 1.199 33 F HN 0.316 nan 8.300 nan 0.000 0.473 34 A N 0.215 123.130 122.820 0.159 0.000 2.048 34 A HA 0.355 4.675 4.320 -0.000 0.000 0.197 34 A C 0.905 178.378 177.584 -0.185 0.000 1.486 34 A CA 0.702 52.611 52.037 -0.213 0.000 1.029 34 A CB -0.336 18.132 19.000 -0.887 0.000 1.101 34 A HN 1.020 nan 8.150 nan 0.000 0.470 35 S N -0.706 114.981 115.700 -0.022 0.000 3.749 35 S HA -0.135 4.335 4.470 -0.000 0.000 0.348 35 S C -0.259 174.363 174.600 0.036 0.000 1.045 35 S CA 0.345 58.537 58.200 -0.014 0.000 1.051 35 S CB -1.984 61.172 63.200 -0.073 0.000 0.898 35 S HN 0.500 nan 8.310 nan 0.000 0.472 36 W N 2.090 123.407 121.300 0.029 0.000 2.385 36 W HA 0.097 4.757 4.660 -0.000 0.000 0.336 36 W C 1.235 177.763 176.519 0.014 0.000 1.351 36 W CA -0.160 57.204 57.345 0.032 0.000 1.295 36 W CB 0.186 29.663 29.460 0.029 0.000 1.239 36 W HN 0.351 nan 8.180 nan 0.000 0.565 37 R N 2.761 123.411 120.500 0.250 0.000 2.480 37 R HA 0.011 4.351 4.340 -0.000 0.000 0.277 37 R C -0.169 176.223 176.300 0.154 0.000 1.008 37 R CA -0.111 56.085 56.100 0.160 0.000 1.090 37 R CB -0.635 29.732 30.300 0.112 0.000 1.234 37 R HN 0.421 nan 8.270 nan 0.000 0.549 38 N N -1.255 117.564 118.700 0.199 0.000 2.648 38 N HA -0.070 4.670 4.740 -0.000 0.000 0.272 38 N C 0.446 175.972 175.510 0.026 0.000 1.118 38 N CA 0.020 53.136 53.050 0.110 0.000 0.973 38 N CB 1.357 39.895 38.487 0.085 0.000 1.565 38 N HN -0.139 nan 8.380 nan 0.000 0.542 39 S N 2.804 118.489 115.700 -0.026 0.000 2.401 39 S HA -0.357 4.113 4.470 -0.000 0.000 0.236 39 S C 1.381 175.858 174.600 -0.204 0.000 1.058 39 S CA 2.236 60.374 58.200 -0.103 0.000 1.151 39 S CB -0.747 62.422 63.200 -0.052 0.000 1.049 39 S HN 0.748 nan 8.310 nan 0.000 0.432 40 E N 0.689 120.805 120.200 -0.139 0.000 2.147 40 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 40 E C 2.051 178.521 176.600 -0.217 0.000 1.005 40 E CA 1.874 58.168 56.400 -0.177 0.000 0.810 40 E CB -0.211 29.417 29.700 -0.119 0.000 0.736 40 E HN 0.833 nan 8.360 nan 0.000 0.460 41 E N -0.128 119.972 120.200 -0.166 0.000 2.016 41 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 41 E C 2.176 178.380 176.600 -0.661 0.000 0.985 41 E CA 0.725 57.067 56.400 -0.097 0.000 0.802 41 E CB -0.264 29.652 29.700 0.359 0.000 0.762 41 E HN 0.347 nan 8.360 nan 0.000 0.448 42 A N 2.136 123.961 122.820 -1.659 0.000 1.909 42 A HA -0.361 3.959 4.320 -0.000 0.000 0.221 42 A C 2.145 178.956 177.584 -1.289 0.000 1.223 42 A CA 2.372 52.759 52.037 -2.750 0.000 0.658 42 A CB -0.854 17.192 19.000 -1.591 0.000 0.831 42 A HN 0.193 nan 8.150 nan 0.000 0.462 43 R N -0.720 119.357 120.500 -0.706 0.000 2.103 43 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 43 R C 2.287 178.359 176.300 -0.380 0.000 1.132 43 R CA 2.657 58.467 56.100 -0.484 0.000 0.925 43 R CB -0.834 29.147 30.300 -0.533 0.000 0.842 43 R HN 0.634 nan 8.270 nan 0.000 0.430 44 T N -1.493 112.872 114.554 -0.315 0.000 3.163 44 T HA -0.081 4.269 4.350 -0.000 0.000 0.260 44 T C 0.430 175.105 174.700 -0.042 0.000 1.156 44 T CA 0.921 62.923 62.100 -0.162 0.000 1.072 44 T CB -0.293 68.501 68.868 -0.123 0.000 0.937 44 T HN 0.541 nan 8.240 nan 0.000 0.528 45 D N 0.848 121.216 120.400 -0.054 0.000 2.772 45 D HA -0.167 4.473 4.640 -0.000 0.000 0.233 45 D C 0.127 176.649 176.300 0.369 0.000 1.143 45 D CA 0.409 54.562 54.000 0.257 0.000 0.700 45 D CB -1.162 39.764 40.800 0.210 0.000 1.076 45 D HN 0.632 nan 8.370 nan 0.000 0.430 46 R N -0.039 120.692 120.500 0.384 0.000 2.783 46 R HA 0.416 4.756 4.340 -0.000 0.000 0.276 46 R C -1.861 174.646 176.300 0.346 0.000 1.223 46 R CA -0.737 55.557 56.100 0.323 0.000 1.173 46 R CB -0.355 30.093 30.300 0.247 0.000 1.157 46 R HN 0.206 nan 8.270 nan 0.000 0.600 47 P HA 0.084 nan 4.420 nan 0.000 0.282 47 P C -0.897 176.400 177.300 -0.004 0.000 1.249 47 P CA -0.271 62.877 63.100 0.081 0.000 0.806 47 P CB 1.193 32.935 31.700 0.069 0.000 0.984 48 S N 0.714 116.317 115.700 -0.162 0.000 2.449 48 S HA 0.120 4.590 4.470 -0.000 0.000 0.310 48 S C 1.284 175.854 174.600 -0.050 0.000 1.096 48 S CA -0.595 57.468 58.200 -0.227 0.000 1.095 48 S CB 0.561 63.392 63.200 -0.614 0.000 1.007 48 S HN 0.330 nan 8.310 nan 0.000 0.474 49 Q N 2.930 122.749 119.800 0.032 0.000 2.234 49 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 49 Q C 0.897 177.050 176.000 0.256 0.000 0.980 49 Q CA 1.265 57.145 55.803 0.129 0.000 0.869 49 Q CB -0.235 28.590 28.738 0.145 0.000 0.912 49 Q HN 0.628 nan 8.270 nan 0.000 0.436 50 Q N 0.084 119.983 119.800 0.165 0.000 2.432 50 Q HA 0.124 4.464 4.340 -0.000 0.000 0.205 50 Q C -0.100 176.016 176.000 0.193 0.000 0.945 50 Q CA 0.400 56.308 55.803 0.175 0.000 0.924 50 Q CB 0.232 28.964 28.738 -0.010 0.000 1.016 50 Q HN 0.182 nan 8.270 nan 0.000 0.503 51 L N 0.498 121.797 121.223 0.126 0.000 2.309 51 L HA 0.489 4.829 4.340 -0.000 0.000 0.282 51 L C -0.893 176.065 176.870 0.147 0.000 1.036 51 L CA -0.181 54.722 54.840 0.106 0.000 0.806 51 L CB 1.222 43.274 42.059 -0.012 0.000 1.220 51 L HN -0.109 nan 8.230 nan 0.000 0.429 52 R N 2.542 123.130 120.500 0.148 0.000 2.535 52 R HA 0.336 4.676 4.340 -0.000 0.000 0.274 52 R C -1.407 174.921 176.300 0.047 0.000 1.090 52 R CA -0.410 55.747 56.100 0.094 0.000 0.930 52 R CB 2.125 32.492 30.300 0.112 0.000 1.223 52 R HN 0.722 nan 8.270 nan 0.000 0.441 53 S N 3.268 118.983 115.700 0.025 0.000 2.586 53 S HA 0.430 4.900 4.470 -0.000 0.000 0.274 53 S C 0.471 175.076 174.600 0.007 0.000 1.281 53 S CA -0.499 57.708 58.200 0.013 0.000 1.035 53 S CB 0.603 63.815 63.200 0.020 0.000 0.962 53 S HN 0.552 nan 8.310 nan 0.000 0.512 54 L N 3.812 125.042 121.223 0.013 0.000 3.154 54 L HA 0.375 4.715 4.340 -0.000 0.000 0.266 54 L C -0.213 176.808 176.870 0.250 0.000 1.300 54 L CA -0.407 54.476 54.840 0.071 0.000 1.028 54 L CB -0.174 41.867 42.059 -0.030 0.000 1.412 54 L HN 0.476 nan 8.230 nan 0.000 0.564 55 N N 1.480 120.253 118.700 0.122 0.000 2.434 55 N HA 0.646 5.386 4.740 -0.000 0.000 0.272 55 N C 0.398 175.983 175.510 0.126 0.000 1.040 55 N CA 0.406 53.495 53.050 0.066 0.000 0.956 55 N CB 2.016 40.506 38.487 0.005 0.000 1.108 55 N HN 0.428 nan 8.380 nan 0.000 0.481 56 G N 1.579 110.460 108.800 0.134 0.000 2.513 56 G HA2 0.018 3.978 3.960 -0.000 0.000 0.182 56 G HA3 0.018 3.978 3.960 -0.000 0.000 0.182 56 G C -1.419 173.635 174.900 0.257 0.000 1.190 56 G CA -0.671 44.536 45.100 0.178 0.000 0.987 56 G HN 0.427 nan 8.290 nan 0.000 0.479 57 E N -0.610 119.763 120.200 0.288 0.000 2.331 57 E HA 0.556 4.906 4.350 -0.000 0.000 0.272 57 E C -1.369 175.543 176.600 0.520 0.000 1.036 57 E CA 0.135 56.712 56.400 0.295 0.000 0.864 57 E CB 1.182 30.982 29.700 0.168 0.000 1.035 57 E HN 0.406 nan 8.360 nan 0.000 0.408 58 W N 1.065 122.424 121.300 0.097 0.000 3.363 58 W HA 0.271 4.931 4.660 -0.000 0.000 0.306 58 W C -0.585 176.021 176.519 0.145 0.000 1.253 58 W CA -0.749 56.679 57.345 0.140 0.000 1.195 58 W CB 0.957 30.532 29.460 0.192 0.000 1.366 58 W HN 0.291 nan 8.180 nan 0.000 0.551 59 R N 1.867 122.576 120.500 0.349 0.000 2.531 59 R HA 0.648 4.988 4.340 -0.000 0.000 0.273 59 R C -1.033 175.448 176.300 0.301 0.000 1.070 59 R CA -0.476 55.785 56.100 0.269 0.000 1.112 59 R CB 1.089 31.499 30.300 0.183 0.000 1.049 59 R HN 0.442 nan 8.270 nan 0.000 0.508 60 F N -0.287 119.661 119.950 -0.005 0.000 2.613 60 F HA 0.618 5.145 4.527 -0.000 0.000 0.310 60 F C -1.614 174.067 175.800 -0.198 0.000 1.085 60 F CA -0.606 57.270 58.000 -0.208 0.000 0.945 60 F CB 2.112 40.861 39.000 -0.419 0.000 1.298 60 F HN 0.654 nan 8.300 nan 0.000 0.455 61 A N 3.391 125.375 122.820 -1.394 0.000 2.574 61 A HA 0.581 4.901 4.320 -0.000 0.000 0.297 61 A C -2.552 174.301 177.584 -1.219 0.000 1.062 61 A CA -0.520 50.982 52.037 -0.893 0.000 0.686 61 A CB 0.753 19.547 19.000 -0.344 0.000 1.285 61 A HN 1.018 nan 8.150 nan 0.000 0.403 62 W N 2.477 123.219 121.300 -0.929 0.000 2.666 62 W HA 0.789 5.449 4.660 -0.000 0.000 0.334 62 W C -2.144 174.043 176.519 -0.553 0.000 1.051 62 W CA -0.640 56.274 57.345 -0.718 0.000 1.224 62 W CB 1.331 30.512 29.460 -0.465 0.000 1.405 62 W HN 0.510 nan 8.180 nan 0.000 0.513 63 F N 5.279 124.510 119.950 -1.198 0.000 2.588 63 F HA 0.402 4.929 4.527 -0.000 0.000 0.314 63 F C -1.514 173.350 175.800 -1.560 0.000 1.069 63 F CA -2.784 54.627 58.000 -0.982 0.000 0.931 63 F CB 1.365 40.023 39.000 -0.570 0.000 1.260 63 F HN 0.162 nan 8.300 nan 0.000 0.465 64 P HA 0.092 nan 4.420 nan 0.000 0.226 64 P C -0.348 176.806 177.300 -0.244 0.000 1.153 64 P CA 1.043 63.906 63.100 -0.395 0.000 0.777 64 P CB 0.423 32.128 31.700 0.008 0.000 0.794 65 A N -1.813 120.862 122.820 -0.241 0.000 2.586 65 A HA 0.513 4.833 4.320 -0.000 0.000 0.291 65 A C -2.469 174.982 177.584 -0.221 0.000 1.062 65 A CA -0.938 50.989 52.037 -0.184 0.000 0.666 65 A CB 0.384 19.343 19.000 -0.069 0.000 1.281 65 A HN -0.301 nan 8.150 nan 0.000 0.421 66 P HA -0.089 nan 4.420 nan 0.000 0.214 66 P C 1.059 178.254 177.300 -0.175 0.000 1.162 66 P CA 1.833 64.774 63.100 -0.265 0.000 0.874 66 P CB -0.068 31.458 31.700 -0.290 0.000 0.784 67 E N 0.855 121.012 120.200 -0.071 0.000 2.136 67 E HA -0.228 4.122 4.350 -0.000 0.000 0.208 67 E C 1.409 177.984 176.600 -0.042 0.000 1.035 67 E CA 1.747 58.140 56.400 -0.012 0.000 0.838 67 E CB -1.223 28.497 29.700 0.034 0.000 0.748 67 E HN 0.191 nan 8.360 nan 0.000 0.459 68 A N 2.129 124.923 122.820 -0.044 0.000 2.728 68 A HA 0.311 4.631 4.320 -0.000 0.000 0.258 68 A C 0.316 177.855 177.584 -0.076 0.000 1.454 68 A CA -0.187 51.853 52.037 0.005 0.000 1.146 68 A CB -0.232 18.823 19.000 0.090 0.000 0.985 68 A HN 0.005 nan 8.150 nan 0.000 0.603 69 V N 0.513 120.246 119.914 -0.301 0.000 2.966 69 V HA 0.406 4.526 4.120 -0.000 0.000 0.317 69 V C -2.400 173.537 176.094 -0.260 0.000 1.070 69 V CA -1.662 60.243 62.300 -0.659 0.000 1.008 69 V CB 1.683 32.968 31.823 -0.897 0.000 1.070 69 V HN 0.378 nan 8.190 nan 0.000 0.457 70 P HA 0.408 nan 4.420 nan 0.000 0.300 70 P C 0.254 177.564 177.300 0.017 0.000 1.356 70 P CA -0.459 62.633 63.100 -0.013 0.000 0.823 70 P CB 1.472 33.215 31.700 0.071 0.000 0.934 71 E N 2.305 122.498 120.200 -0.011 0.000 2.136 71 E HA -0.267 4.083 4.350 -0.000 0.000 0.202 71 E C 1.537 178.109 176.600 -0.047 0.000 1.019 71 E CA 2.456 58.836 56.400 -0.033 0.000 0.819 71 E CB -0.221 29.464 29.700 -0.025 0.000 0.739 71 E HN 0.454 nan 8.360 nan 0.000 0.458 72 S N -0.619 115.076 115.700 -0.009 0.000 2.442 72 S HA -0.203 4.267 4.470 -0.000 0.000 0.236 72 S C 1.613 176.198 174.600 -0.025 0.000 1.007 72 S CA 0.876 59.065 58.200 -0.018 0.000 0.965 72 S CB -0.752 62.458 63.200 0.016 0.000 0.773 72 S HN 0.581 nan 8.310 nan 0.000 0.504 73 W N 2.629 123.841 121.300 -0.148 0.000 2.331 73 W HA -0.101 4.559 4.660 -0.000 0.000 0.291 73 W C 1.518 177.920 176.519 -0.196 0.000 1.214 73 W CA 0.819 58.063 57.345 -0.167 0.000 1.228 73 W CB -0.699 28.621 29.460 -0.234 0.000 1.135 73 W HN 0.290 nan 8.180 nan 0.000 0.537 74 L N 0.176 121.054 121.223 -0.576 0.000 2.012 74 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 74 L C 2.755 179.339 176.870 -0.477 0.000 1.073 74 L CA 1.832 56.225 54.840 -0.746 0.000 0.748 74 L CB -0.742 40.978 42.059 -0.564 0.000 0.891 74 L HN -0.038 nan 8.230 nan 0.000 0.431 75 E N -1.325 118.708 120.200 -0.279 0.000 2.065 75 E HA 0.042 4.392 4.350 -0.000 0.000 0.191 75 E C 0.267 176.785 176.600 -0.138 0.000 0.960 75 E CA 0.473 56.772 56.400 -0.169 0.000 0.824 75 E CB 0.160 29.802 29.700 -0.096 0.000 0.793 75 E HN 0.321 nan 8.360 nan 0.000 0.459 76 C N 2.758 122.004 119.300 -0.089 0.000 2.298 76 C HA 0.266 4.726 4.460 -0.000 0.000 0.323 76 C C -0.035 174.982 174.990 0.046 0.000 1.284 76 C CA -1.294 57.709 59.018 -0.025 0.000 1.577 76 C CB 0.442 28.179 27.740 -0.004 0.000 2.249 76 C HN 0.221 nan 8.230 nan 0.000 0.497 77 D N 3.761 124.197 120.400 0.060 0.000 2.502 77 D HA 0.035 4.675 4.640 -0.000 0.000 0.249 77 D C 0.460 176.841 176.300 0.134 0.000 1.188 77 D CA 0.575 54.658 54.000 0.139 0.000 0.890 77 D CB 0.645 41.507 40.800 0.104 0.000 1.140 77 D HN 0.475 nan 8.370 nan 0.000 0.505 78 L N 5.214 126.545 121.223 0.179 0.000 2.558 78 L HA -0.109 4.231 4.340 -0.000 0.000 0.301 78 L C -0.774 176.141 176.870 0.074 0.000 1.267 78 L CA -0.770 54.139 54.840 0.115 0.000 0.854 78 L CB -0.178 41.942 42.059 0.101 0.000 1.103 78 L HN 0.331 nan 8.230 nan 0.000 0.522 79 P HA -0.112 nan 4.420 nan 0.000 0.213 79 P C 0.498 177.816 177.300 0.029 0.000 1.169 79 P CA 0.996 64.118 63.100 0.037 0.000 0.885 79 P CB -0.021 31.695 31.700 0.027 0.000 0.779 80 E N 0.248 120.459 120.200 0.019 0.000 2.441 80 E HA 0.349 4.699 4.350 -0.000 0.000 0.210 80 E C 0.179 176.784 176.600 0.008 0.000 1.306 80 E CA -0.416 55.986 56.400 0.004 0.000 1.307 80 E CB -0.634 29.054 29.700 -0.020 0.000 1.297 80 E HN 0.125 nan 8.360 nan 0.000 0.440 81 A N 1.166 124.005 122.820 0.032 0.000 2.312 81 A HA 0.299 4.619 4.320 -0.000 0.000 0.328 81 A C -0.542 177.091 177.584 0.081 0.000 1.158 81 A CA -0.758 51.307 52.037 0.046 0.000 0.821 81 A CB 0.893 19.930 19.000 0.062 0.000 1.170 81 A HN 0.175 nan 8.150 nan 0.000 0.490 82 D N 1.007 121.485 120.400 0.130 0.000 2.256 82 D HA 0.357 4.997 4.640 -0.000 0.000 0.246 82 D C -0.564 175.828 176.300 0.153 0.000 1.042 82 D CA 0.158 54.247 54.000 0.149 0.000 0.841 82 D CB 1.794 42.737 40.800 0.239 0.000 1.223 82 D HN 0.434 nan 8.370 nan 0.000 0.470 83 T N 1.678 116.299 114.554 0.111 0.000 2.814 83 T HA 0.335 4.685 4.350 -0.000 0.000 0.297 83 T C 0.331 175.086 174.700 0.090 0.000 0.956 83 T CA -0.276 61.896 62.100 0.121 0.000 1.123 83 T CB 0.825 69.751 68.868 0.096 0.000 0.902 83 T HN 0.051 nan 8.240 nan 0.000 0.528 84 V N 3.399 123.383 119.914 0.116 0.000 3.155 84 V HA 0.575 4.695 4.120 -0.000 0.000 0.313 84 V C -0.240 175.903 176.094 0.081 0.000 1.162 84 V CA -0.899 61.421 62.300 0.034 0.000 1.048 84 V CB 2.386 34.197 31.823 -0.020 0.000 1.092 84 V HN 0.553 nan 8.190 nan 0.000 0.447 85 V N 1.319 121.259 119.914 0.042 0.000 2.483 85 V HA 0.569 4.689 4.120 -0.000 0.000 0.295 85 V C -0.493 175.576 176.094 -0.040 0.000 1.035 85 V CA -0.358 61.957 62.300 0.024 0.000 0.896 85 V CB 1.829 33.655 31.823 0.004 0.000 0.986 85 V HN 0.563 nan 8.190 nan 0.000 0.447 86 V N 7.378 127.188 119.914 -0.173 0.000 2.604 86 V HA 0.520 4.640 4.120 -0.000 0.000 0.305 86 V C -2.238 173.700 176.094 -0.260 0.000 1.043 86 V CA -1.758 60.342 62.300 -0.333 0.000 0.888 86 V CB 2.463 33.788 31.823 -0.830 0.000 0.995 86 V HN 0.746 nan 8.190 nan 0.000 0.429 87 P HA 0.507 nan 4.420 nan 0.000 0.276 87 P C -0.801 176.428 177.300 -0.118 0.000 1.261 87 P CA -0.209 62.780 63.100 -0.185 0.000 0.800 87 P CB 1.378 32.998 31.700 -0.134 0.000 1.066 88 S N -0.689 114.970 115.700 -0.067 0.000 2.627 88 S HA 0.363 4.833 4.470 -0.000 0.000 0.268 88 S C -1.488 173.059 174.600 -0.088 0.000 1.130 88 S CA -0.983 57.160 58.200 -0.094 0.000 0.819 88 S CB 0.136 63.299 63.200 -0.062 0.000 1.100 88 S HN 0.315 nan 8.310 nan 0.000 0.465 89 N N 1.381 119.939 118.700 -0.235 0.000 2.511 89 N HA 0.386 5.126 4.740 -0.000 0.000 0.249 89 N C 0.647 175.992 175.510 -0.275 0.000 0.971 89 N CA -0.731 52.150 53.050 -0.281 0.000 0.938 89 N CB 0.582 38.860 38.487 -0.347 0.000 1.131 89 N HN 0.795 nan 8.380 nan 0.000 0.505 90 W N 3.211 124.400 121.300 -0.185 0.000 2.292 90 W HA -0.309 4.351 4.660 -0.000 0.000 0.304 90 W C 0.949 177.429 176.519 -0.066 0.000 1.228 90 W CA 1.434 58.670 57.345 -0.181 0.000 1.241 90 W CB -0.628 28.668 29.460 -0.273 0.000 1.142 90 W HN 0.485 nan 8.180 nan 0.000 0.520 91 Q N 0.206 119.991 119.800 -0.025 0.000 2.170 91 Q HA -0.138 4.202 4.340 -0.000 0.000 0.203 91 Q C 2.090 178.016 176.000 -0.123 0.000 0.976 91 Q CA 1.938 57.714 55.803 -0.044 0.000 0.858 91 Q CB -0.773 27.843 28.738 -0.204 0.000 0.907 91 Q HN 0.284 nan 8.270 nan 0.000 0.433 92 M N -0.229 119.230 119.600 -0.235 0.000 2.700 92 M HA -0.052 4.428 4.480 -0.000 0.000 0.249 92 M C 0.111 176.354 176.300 -0.095 0.000 1.082 92 M CA 1.240 56.392 55.300 -0.247 0.000 1.077 92 M CB -0.719 31.663 32.600 -0.363 0.000 1.477 92 M HN 0.341 nan 8.290 nan 0.000 0.529 93 H N -1.321 117.780 119.070 0.051 0.000 2.637 93 H HA 0.338 4.894 4.556 -0.000 0.000 0.245 93 H C 1.216 176.459 175.328 -0.142 0.000 1.190 93 H CA -0.207 55.856 56.048 0.025 0.000 0.934 93 H CB 0.269 30.163 29.762 0.220 0.000 1.950 93 H HN 0.460 nan 8.280 nan 0.000 0.614 94 G N 0.738 109.548 108.800 0.017 0.000 2.280 94 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.282 94 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.282 94 G C 0.560 175.346 174.900 -0.189 0.000 1.000 94 G CA 1.200 46.246 45.100 -0.089 0.000 0.751 94 G HN 0.553 nan 8.290 nan 0.000 0.515 95 Y N 1.148 121.403 120.300 -0.076 0.000 2.333 95 Y HA 0.195 4.745 4.550 -0.000 0.000 0.290 95 Y C 1.540 177.123 175.900 -0.529 0.000 1.144 95 Y CA 1.361 59.256 58.100 -0.343 0.000 1.228 95 Y CB 0.072 38.319 38.460 -0.355 0.000 0.985 95 Y HN 0.673 nan 8.280 nan 0.000 0.542 96 D N -2.311 118.114 120.400 0.041 0.000 2.653 96 D HA 0.494 5.134 4.640 -0.000 0.000 0.258 96 D C -1.344 175.014 176.300 0.096 0.000 1.252 96 D CA -0.841 53.200 54.000 0.069 0.000 0.777 96 D CB 0.773 41.744 40.800 0.286 0.000 1.339 96 D HN -0.046 nan 8.370 nan 0.000 0.422 97 A N 0.730 123.601 122.820 0.085 0.000 2.274 97 A HA 0.690 5.010 4.320 -0.000 0.000 0.309 97 A C -2.313 175.252 177.584 -0.032 0.000 1.226 97 A CA -1.276 50.773 52.037 0.019 0.000 0.853 97 A CB 0.006 19.084 19.000 0.130 0.000 1.146 97 A HN 0.517 nan 8.150 nan 0.000 0.518 98 P HA 0.157 nan 4.420 nan 0.000 0.266 98 P C -0.633 176.699 177.300 0.053 0.000 1.193 98 P CA 0.502 63.460 63.100 -0.236 0.000 0.770 98 P CB 0.387 31.675 31.700 -0.687 0.000 0.836 99 I N 1.849 122.588 120.570 0.281 0.000 2.474 99 I HA 0.289 4.459 4.170 -0.000 0.000 0.294 99 I C -0.558 175.891 176.117 0.554 0.000 1.005 99 I CA -0.898 60.651 61.300 0.415 0.000 1.113 99 I CB 1.739 39.929 38.000 0.317 0.000 1.289 99 I HN 0.306 nan 8.210 nan 0.000 0.436 100 Y N 5.583 126.085 120.300 0.336 0.000 2.555 100 Y HA 0.435 4.985 4.550 -0.000 0.000 0.326 100 Y C -0.567 175.303 175.900 -0.050 0.000 0.984 100 Y CA -0.486 57.585 58.100 -0.048 0.000 1.298 100 Y CB 0.916 38.822 38.460 -0.922 0.000 1.094 100 Y HN 0.609 nan 8.280 nan 0.000 0.500 101 T N 2.159 116.321 114.554 -0.654 0.000 2.908 101 T HA 0.312 4.662 4.350 -0.000 0.000 0.290 101 T C 0.297 174.512 174.700 -0.808 0.000 1.034 101 T CA -0.935 60.791 62.100 -0.624 0.000 1.010 101 T CB 2.282 70.965 68.868 -0.308 0.000 1.068 101 T HN 0.737 nan 8.240 nan 0.000 0.481 102 N N 0.577 118.882 118.700 -0.659 0.000 2.349 102 N HA -0.005 4.735 4.740 -0.000 0.000 0.202 102 N C 1.220 176.456 175.510 -0.457 0.000 1.041 102 N CA 0.378 53.118 53.050 -0.516 0.000 0.970 102 N CB 0.227 38.431 38.487 -0.472 0.000 1.173 102 N HN 0.324 nan 8.380 nan 0.000 0.493 103 V N 0.945 120.516 119.914 -0.572 0.000 2.490 103 V HA 0.035 4.155 4.120 -0.000 0.000 0.238 103 V C 0.530 176.248 176.094 -0.628 0.000 1.056 103 V CA 0.728 62.557 62.300 -0.786 0.000 1.075 103 V CB -0.140 31.135 31.823 -0.912 0.000 0.746 103 V HN 0.394 nan 8.190 nan 0.000 0.479 104 T N 0.736 115.010 114.554 -0.468 0.000 2.939 104 T HA 0.024 4.374 4.350 -0.000 0.000 0.319 104 T C -0.589 173.928 174.700 -0.306 0.000 1.082 104 T CA 0.586 62.494 62.100 -0.320 0.000 1.133 104 T CB -0.106 68.629 68.868 -0.220 0.000 1.019 104 T HN 0.184 nan 8.240 nan 0.000 0.548 105 Y N 2.962 123.135 120.300 -0.211 0.000 2.308 105 Y HA 0.267 4.817 4.550 -0.000 0.000 0.329 105 Y C -1.157 174.574 175.900 -0.283 0.000 1.111 105 Y CA -2.286 55.658 58.100 -0.261 0.000 1.179 105 Y CB 0.791 39.070 38.460 -0.302 0.000 1.201 105 Y HN 0.496 nan 8.280 nan 0.000 0.483 106 P HA -0.145 nan 4.420 nan 0.000 0.221 106 P C 0.055 177.148 177.300 -0.346 0.000 1.145 106 P CA 1.466 64.430 63.100 -0.227 0.000 0.795 106 P CB 0.250 31.785 31.700 -0.274 0.000 0.775 107 I N -4.801 115.466 120.570 -0.506 0.000 2.910 107 I HA 0.413 4.583 4.170 -0.000 0.000 0.310 107 I C -0.626 175.329 176.117 -0.270 0.000 1.043 107 I CA -0.980 60.029 61.300 -0.486 0.000 1.053 107 I CB 1.814 39.262 38.000 -0.919 0.000 1.242 107 I HN -0.389 nan 8.210 nan 0.000 0.452 108 T N 2.445 116.908 114.554 -0.152 0.000 2.940 108 T HA 0.151 4.501 4.350 -0.000 0.000 0.309 108 T C 0.195 174.861 174.700 -0.057 0.000 1.056 108 T CA -0.284 61.780 62.100 -0.060 0.000 1.137 108 T CB 1.188 70.059 68.868 0.005 0.000 0.976 108 T HN 0.408 nan 8.240 nan 0.000 0.547 109 V N 3.822 123.732 119.914 -0.007 0.000 2.370 109 V HA 0.309 4.429 4.120 -0.000 0.000 0.257 109 V C 0.254 176.428 176.094 0.132 0.000 1.064 109 V CA -0.027 62.305 62.300 0.053 0.000 0.975 109 V CB 0.074 31.920 31.823 0.039 0.000 1.067 109 V HN 0.942 nan 8.190 nan 0.000 0.485 110 N N 6.490 125.342 118.700 0.254 0.000 3.029 110 N HA 0.252 4.992 4.740 -0.000 0.000 0.198 110 N C -3.038 172.600 175.510 0.214 0.000 1.444 110 N CA -0.812 52.365 53.050 0.212 0.000 0.784 110 N CB 1.681 40.300 38.487 0.220 0.000 1.539 110 N HN 0.271 nan 8.380 nan 0.000 0.582 111 P HA 0.292 nan 4.420 nan 0.000 0.271 111 P C -2.401 174.705 177.300 -0.324 0.000 1.216 111 P CA -0.941 61.742 63.100 -0.694 0.000 0.776 111 P CB 0.650 31.756 31.700 -0.990 0.000 0.881 112 P HA 0.278 nan 4.420 nan 0.000 0.241 112 P C -0.841 176.357 177.300 -0.171 0.000 1.783 112 P CA -0.445 62.428 63.100 -0.378 0.000 1.052 112 P CB -0.274 31.230 31.700 -0.328 0.000 1.594 113 F N -0.155 119.876 119.950 0.134 0.000 2.420 113 F HA 0.180 4.707 4.527 -0.000 0.000 0.352 113 F C 1.310 177.313 175.800 0.340 0.000 1.108 113 F CA -0.553 57.578 58.000 0.219 0.000 1.162 113 F CB 0.726 39.807 39.000 0.135 0.000 1.118 113 F HN -0.199 nan 8.300 nan 0.000 0.510 114 V N 4.850 125.098 119.914 0.557 0.000 3.556 114 V HA 0.405 4.525 4.120 -0.000 0.000 0.292 114 V C -1.896 174.421 176.094 0.372 0.000 1.030 114 V CA -1.497 61.076 62.300 0.454 0.000 1.009 114 V CB 1.458 33.627 31.823 0.577 0.000 1.242 114 V HN 0.563 nan 8.190 nan 0.000 0.431 115 P HA 0.232 nan 4.420 nan 0.000 0.298 115 P C 0.372 177.835 177.300 0.272 0.000 1.314 115 P CA -0.202 63.061 63.100 0.272 0.000 0.854 115 P CB 1.259 33.114 31.700 0.258 0.000 1.019 116 T N -0.578 114.098 114.554 0.203 0.000 2.918 116 T HA -0.185 4.165 4.350 -0.000 0.000 0.271 116 T C 0.272 175.053 174.700 0.134 0.000 1.104 116 T CA 1.300 63.501 62.100 0.168 0.000 1.114 116 T CB -0.705 68.239 68.868 0.127 0.000 0.855 116 T HN 0.407 nan 8.240 nan 0.000 0.518 117 E N 2.185 122.479 120.200 0.157 0.000 2.042 117 E HA 0.384 4.734 4.350 -0.000 0.000 0.260 117 E C -0.769 175.911 176.600 0.134 0.000 0.975 117 E CA -0.405 56.075 56.400 0.133 0.000 0.799 117 E CB 0.502 30.299 29.700 0.161 0.000 1.131 117 E HN 0.202 nan 8.360 nan 0.000 0.423 118 N N 3.503 122.206 118.700 0.005 0.000 2.524 118 N HA 0.242 4.982 4.740 -0.000 0.000 0.261 118 N C -2.644 172.731 175.510 -0.225 0.000 0.998 118 N CA -2.514 50.479 53.050 -0.095 0.000 0.915 118 N CB 1.275 39.681 38.487 -0.134 0.000 1.187 118 N HN 0.034 nan 8.380 nan 0.000 0.507 119 P HA -0.009 nan 4.420 nan 0.000 0.245 119 P C -0.630 176.540 177.300 -0.217 0.000 1.347 119 P CA 0.510 63.479 63.100 -0.219 0.000 1.314 119 P CB -0.547 31.326 31.700 0.289 0.000 1.679 120 T N 2.151 116.380 114.554 -0.542 0.000 2.817 120 T HA 0.479 4.828 4.350 -0.000 0.000 0.293 120 T C 0.876 175.159 174.700 -0.695 0.000 0.964 120 T CA -0.238 61.607 62.100 -0.425 0.000 1.085 120 T CB 1.048 69.661 68.868 -0.425 0.000 0.921 120 T HN 0.242 nan 8.240 nan 0.000 0.502 121 G N 1.039 109.574 108.800 -0.441 0.000 2.728 121 G HA2 0.426 4.386 3.960 -0.000 0.000 0.296 121 G HA3 0.426 4.386 3.960 -0.000 0.000 0.296 121 G C 0.012 174.832 174.900 -0.134 0.000 1.401 121 G CA -0.680 44.087 45.100 -0.554 0.000 1.007 121 G HN 0.930 nan 8.290 nan 0.000 0.527 122 C N 3.866 122.769 119.300 -0.661 0.000 2.615 122 C HA 0.301 4.761 4.460 -0.000 0.000 0.503 122 C C 0.425 175.231 174.990 -0.307 0.000 1.039 122 C CA -1.675 56.889 59.018 -0.757 0.000 1.226 122 C CB -2.683 24.000 27.740 -1.760 0.000 1.447 122 C HN 0.551 nan 8.230 nan 0.000 0.572 123 Y N 1.523 121.894 120.300 0.119 0.000 2.469 123 Y HA 0.374 4.924 4.550 -0.000 0.000 0.353 123 Y C 1.078 177.358 175.900 0.635 0.000 1.269 123 Y CA 0.725 59.127 58.100 0.504 0.000 1.504 123 Y CB 0.225 39.087 38.460 0.670 0.000 1.369 123 Y HN 0.617 nan 8.280 nan 0.000 0.654 124 S N 0.752 116.916 115.700 0.775 0.000 2.608 124 S HA 0.612 5.082 4.470 -0.000 0.000 0.285 124 S C -2.071 172.547 174.600 0.030 0.000 1.108 124 S CA -0.812 57.658 58.200 0.450 0.000 0.858 124 S CB 0.686 64.195 63.200 0.515 0.000 1.077 124 S HN 1.112 nan 8.310 nan 0.000 0.450 125 L N 1.024 122.124 121.223 -0.204 0.000 2.643 125 L HA 0.782 5.122 4.340 -0.000 0.000 0.257 125 L C -1.175 175.643 176.870 -0.087 0.000 0.922 125 L CA -0.089 54.512 54.840 -0.400 0.000 0.909 125 L CB 1.780 43.109 42.059 -1.216 0.000 1.424 125 L HN 0.622 nan 8.230 nan 0.000 0.422 126 T N 4.826 119.364 114.554 -0.026 0.000 2.749 126 T HA 0.788 5.138 4.350 -0.000 0.000 0.287 126 T C -0.801 173.987 174.700 0.147 0.000 0.970 126 T CA 0.100 62.224 62.100 0.041 0.000 0.980 126 T CB 0.192 69.045 68.868 -0.025 0.000 0.924 126 T HN 0.560 nan 8.240 nan 0.000 0.456 127 F N 1.567 121.450 119.950 -0.112 0.000 2.692 127 F HA 0.726 5.253 4.527 -0.000 0.000 0.320 127 F C -0.763 174.994 175.800 -0.072 0.000 1.123 127 F CA -1.793 56.150 58.000 -0.095 0.000 0.961 127 F CB 1.076 40.013 39.000 -0.105 0.000 1.383 127 F HN 0.287 nan 8.300 nan 0.000 0.483 128 N N -0.437 118.275 118.700 0.020 0.000 2.370 128 N HA 0.759 5.499 4.740 -0.000 0.000 0.303 128 N C -1.803 173.702 175.510 -0.007 0.000 1.103 128 N CA -0.732 52.273 53.050 -0.075 0.000 0.848 128 N CB 2.294 40.750 38.487 -0.052 0.000 1.235 128 N HN 0.643 nan 8.380 nan 0.000 0.496 129 V N -0.266 119.598 119.914 -0.083 0.000 2.638 129 V HA 0.376 4.496 4.120 -0.000 0.000 0.306 129 V C -0.567 175.445 176.094 -0.136 0.000 1.052 129 V CA -1.102 61.142 62.300 -0.094 0.000 0.885 129 V CB 1.635 33.478 31.823 0.033 0.000 0.999 129 V HN 0.592 nan 8.190 nan 0.000 0.424 130 D N 3.116 123.343 120.400 -0.289 0.000 2.472 130 D HA 0.030 4.670 4.640 -0.000 0.000 0.248 130 D C 1.326 177.588 176.300 -0.064 0.000 1.174 130 D CA 0.424 54.278 54.000 -0.244 0.000 0.883 130 D CB 1.260 41.781 40.800 -0.466 0.000 1.149 130 D HN 0.802 nan 8.370 nan 0.000 0.488 131 E N 1.845 122.035 120.200 -0.015 0.000 2.086 131 E HA -0.315 4.035 4.350 -0.000 0.000 0.200 131 E C 1.886 178.543 176.600 0.095 0.000 1.012 131 E CA 1.840 58.264 56.400 0.039 0.000 0.812 131 E CB -0.440 29.272 29.700 0.021 0.000 0.743 131 E HN 0.557 nan 8.360 nan 0.000 0.453 132 S N 0.205 115.964 115.700 0.098 0.000 2.402 132 S HA -0.217 4.253 4.470 -0.000 0.000 0.233 132 S C 1.474 176.208 174.600 0.223 0.000 1.030 132 S CA 1.108 59.396 58.200 0.147 0.000 1.003 132 S CB -0.628 62.658 63.200 0.143 0.000 0.813 132 S HN 0.433 nan 8.310 nan 0.000 0.477 133 W N 0.680 121.886 121.300 -0.156 0.000 2.937 133 W HA 0.472 5.132 4.660 -0.000 0.000 0.245 133 W C 1.450 177.991 176.519 0.038 0.000 1.306 133 W CA -0.454 56.677 57.345 -0.357 0.000 1.470 133 W CB -0.431 28.774 29.460 -0.426 0.000 1.132 133 W HN 0.338 nan 8.180 nan 0.000 0.675 134 L N -0.903 120.476 121.223 0.261 0.000 2.731 134 L HA 0.127 4.467 4.340 -0.000 0.000 0.240 134 L C 2.154 179.111 176.870 0.145 0.000 1.120 134 L CA 0.488 55.448 54.840 0.200 0.000 0.913 134 L CB -0.044 42.107 42.059 0.155 0.000 1.213 134 L HN -0.161 nan 8.230 nan 0.000 0.515 135 Q N 0.387 120.274 119.800 0.144 0.000 1.961 135 Q HA -0.030 4.310 4.340 -0.000 0.000 0.197 135 Q C -0.152 175.909 176.000 0.101 0.000 0.977 135 Q CA 1.149 57.015 55.803 0.105 0.000 0.830 135 Q CB 0.253 29.050 28.738 0.098 0.000 0.896 135 Q HN 0.449 nan 8.270 nan 0.000 0.437 136 E N -1.512 118.764 120.200 0.127 0.000 2.336 136 E HA 0.645 4.995 4.350 -0.000 0.000 0.267 136 E C -0.185 176.467 176.600 0.086 0.000 0.906 136 E CA -0.463 55.989 56.400 0.087 0.000 0.781 136 E CB 1.919 31.652 29.700 0.056 0.000 1.261 136 E HN 0.331 nan 8.360 nan 0.000 0.436 137 G N 0.486 109.260 108.800 -0.044 0.000 2.582 137 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.222 137 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.222 137 G C -1.218 173.583 174.900 -0.164 0.000 1.311 137 G CA -0.255 44.710 45.100 -0.225 0.000 0.915 137 G HN 0.837 nan 8.290 nan 0.000 0.528 138 Q N -0.832 118.800 119.800 -0.280 0.000 2.375 138 Q HA 0.730 5.070 4.340 -0.000 0.000 0.271 138 Q C -1.282 174.629 176.000 -0.148 0.000 1.074 138 Q CA -0.562 55.164 55.803 -0.128 0.000 0.808 138 Q CB 2.234 30.917 28.738 -0.091 0.000 1.327 138 Q HN 0.621 nan 8.270 nan 0.000 0.441 139 T N 3.734 118.325 114.554 0.062 0.000 2.815 139 T HA 0.481 4.831 4.350 -0.000 0.000 0.289 139 T C -1.037 173.778 174.700 0.192 0.000 1.000 139 T CA -0.716 61.490 62.100 0.177 0.000 0.958 139 T CB 0.676 69.780 68.868 0.393 0.000 0.944 139 T HN 0.673 nan 8.240 nan 0.000 0.442 140 R N 3.401 124.006 120.500 0.173 0.000 2.740 140 R HA 0.697 5.037 4.340 -0.000 0.000 0.282 140 R C -1.075 175.356 176.300 0.218 0.000 0.969 140 R CA -0.937 55.283 56.100 0.200 0.000 0.918 140 R CB 1.509 31.916 30.300 0.178 0.000 1.175 140 R HN 0.494 nan 8.270 nan 0.000 0.464 141 I N 4.431 125.156 120.570 0.259 0.000 2.336 141 I HA 0.315 4.485 4.170 -0.000 0.000 0.292 141 I C -0.860 175.447 176.117 0.318 0.000 0.991 141 I CA -1.170 60.276 61.300 0.244 0.000 1.227 141 I CB 1.037 39.207 38.000 0.282 0.000 1.366 141 I HN 0.662 nan 8.210 nan 0.000 0.466 142 I N 7.832 128.494 120.570 0.155 0.000 2.354 142 I HA 0.223 4.393 4.170 -0.000 0.000 0.286 142 I C -0.959 175.156 176.117 -0.004 0.000 1.007 142 I CA -0.416 60.977 61.300 0.156 0.000 1.167 142 I CB 1.012 39.061 38.000 0.082 0.000 1.320 142 I HN 0.372 nan 8.210 nan 0.000 0.458 143 F N 4.734 124.716 119.950 0.053 0.000 2.351 143 F HA 0.219 4.746 4.527 -0.000 0.000 0.362 143 F C 1.482 177.210 175.800 -0.121 0.000 1.131 143 F CA -0.409 57.560 58.000 -0.051 0.000 1.187 143 F CB 0.175 39.142 39.000 -0.056 0.000 1.434 143 F HN 0.487 nan 8.300 nan 0.000 0.553 144 D N 2.106 122.470 120.400 -0.060 0.000 2.311 144 D HA -0.026 4.614 4.640 -0.000 0.000 0.212 144 D C 1.024 177.191 176.300 -0.222 0.000 0.972 144 D CA 0.976 54.896 54.000 -0.133 0.000 0.887 144 D CB 0.380 41.068 40.800 -0.186 0.000 0.915 144 D HN 0.627 nan 8.370 nan 0.000 0.497 145 G N -0.740 107.870 108.800 -0.318 0.000 2.682 145 G HA2 0.419 4.379 3.960 -0.000 0.000 0.300 145 G HA3 0.419 4.379 3.960 -0.000 0.000 0.300 145 G C -1.532 172.997 174.900 -0.619 0.000 1.396 145 G CA -0.522 44.221 45.100 -0.596 0.000 1.104 145 G HN -0.049 nan 8.290 nan 0.000 0.587 146 V N 2.261 121.939 119.914 -0.393 0.000 2.655 146 V HA 0.575 4.695 4.120 -0.000 0.000 0.301 146 V C -0.908 175.167 176.094 -0.032 0.000 1.082 146 V CA -1.233 60.892 62.300 -0.291 0.000 0.899 146 V CB 1.932 33.367 31.823 -0.648 0.000 1.014 146 V HN 0.760 nan 8.190 nan 0.000 0.429 147 N N 2.083 120.836 118.700 0.089 0.000 2.342 147 N HA 0.381 5.121 4.740 -0.000 0.000 0.293 147 N C 0.746 176.240 175.510 -0.027 0.000 1.026 147 N CA 0.344 53.453 53.050 0.098 0.000 0.857 147 N CB 2.576 41.130 38.487 0.112 0.000 1.256 147 N HN 0.717 nan 8.380 nan 0.000 0.484 148 S N 2.744 118.463 115.700 0.031 0.000 2.452 148 S HA 0.342 4.812 4.470 -0.000 0.000 0.225 148 S C 0.923 175.615 174.600 0.153 0.000 1.057 148 S CA 0.594 58.865 58.200 0.118 0.000 0.949 148 S CB -0.014 63.292 63.200 0.177 0.000 0.836 148 S HN 0.609 nan 8.310 nan 0.000 0.518 149 A N 0.950 123.876 122.820 0.176 0.000 3.444 149 A HA 0.870 5.190 4.320 -0.000 0.000 0.189 149 A C -0.366 177.431 177.584 0.354 0.000 1.542 149 A CA -0.364 51.783 52.037 0.184 0.000 0.867 149 A CB 0.011 19.165 19.000 0.258 0.000 1.712 149 A HN 1.567 nan 8.150 nan 0.000 0.556 150 F N -3.303 116.569 119.950 -0.131 0.000 2.401 150 F HA 0.286 4.813 4.527 -0.000 0.000 0.322 150 F C -1.821 173.934 175.800 -0.074 0.000 1.109 150 F CA -1.002 56.973 58.000 -0.041 0.000 0.846 150 F CB -0.454 38.518 39.000 -0.046 0.000 3.389 150 F HN 0.674 nan 8.300 nan 0.000 0.330 151 H N 3.038 122.312 119.070 0.341 0.000 2.492 151 H HA 0.839 5.395 4.556 -0.000 0.000 0.345 151 H C -1.143 174.390 175.328 0.342 0.000 1.136 151 H CA -0.686 55.546 56.048 0.307 0.000 1.202 151 H CB 2.154 32.185 29.762 0.448 0.000 1.524 151 H HN 0.854 nan 8.280 nan 0.000 0.506 152 L N 3.125 124.442 121.223 0.157 0.000 2.386 152 L HA 0.452 4.792 4.340 -0.000 0.000 0.271 152 L C -1.533 175.321 176.870 -0.028 0.000 0.993 152 L CA -0.607 54.320 54.840 0.144 0.000 0.819 152 L CB 1.439 43.367 42.059 -0.218 0.000 1.294 152 L HN 0.531 nan 8.230 nan 0.000 0.414 153 W N 3.984 125.288 121.300 0.007 0.000 2.799 153 W HA 0.667 5.327 4.660 -0.000 0.000 0.349 153 W C -1.091 175.363 176.519 -0.108 0.000 1.100 153 W CA -0.893 56.414 57.345 -0.064 0.000 1.174 153 W CB 2.156 31.580 29.460 -0.060 0.000 1.427 153 W HN 0.726 nan 8.180 nan 0.000 0.547 154 C N 3.666 123.053 119.300 0.145 0.000 2.551 154 C HA 0.278 4.738 4.460 -0.000 0.000 0.332 154 C C 0.070 175.164 174.990 0.173 0.000 1.139 154 C CA -0.491 58.584 59.018 0.096 0.000 1.328 154 C CB -0.233 27.474 27.740 -0.055 0.000 1.903 154 C HN 0.828 nan 8.230 nan 0.000 0.459 155 N N 3.615 122.374 118.700 0.099 0.000 2.716 155 N HA -0.196 4.544 4.740 -0.000 0.000 0.250 155 N C 1.067 176.629 175.510 0.086 0.000 1.033 155 N CA 2.206 55.291 53.050 0.059 0.000 0.727 155 N CB -1.286 37.239 38.487 0.062 0.000 0.950 155 N HN 1.979 nan 8.380 nan 0.000 0.541 156 G N -1.372 107.477 108.800 0.083 0.000 2.268 156 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.240 156 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.240 156 G C 0.094 175.178 174.900 0.307 0.000 1.010 156 G CA 0.452 45.611 45.100 0.099 0.000 0.618 156 G HN 0.555 nan 8.290 nan 0.000 0.516 157 R N -0.675 120.042 120.500 0.362 0.000 2.346 157 R HA 0.459 4.799 4.340 -0.000 0.000 0.311 157 R C -0.012 176.457 176.300 0.283 0.000 0.983 157 R CA -0.840 55.511 56.100 0.419 0.000 0.880 157 R CB 1.014 31.555 30.300 0.401 0.000 1.100 157 R HN 0.231 nan 8.270 nan 0.000 0.453 158 W N 3.854 125.066 121.300 -0.148 0.000 2.343 158 W HA -0.039 4.621 4.660 -0.000 0.000 0.337 158 W C -0.088 176.199 176.519 -0.385 0.000 1.320 158 W CA 0.283 57.162 57.345 -0.777 0.000 1.290 158 W CB 0.466 29.485 29.460 -0.734 0.000 1.206 158 W HN 0.386 nan 8.180 nan 0.000 0.565 159 V N 5.291 124.268 119.914 -1.562 0.000 2.870 159 V HA 0.569 4.689 4.120 -0.000 0.000 0.232 159 V C 1.044 176.117 176.094 -1.701 0.000 1.161 159 V CA 1.005 62.465 62.300 -1.401 0.000 1.204 159 V CB -0.334 30.809 31.823 -1.133 0.000 1.003 159 V HN 0.774 nan 8.190 nan 0.000 0.499 160 G N -1.923 105.936 108.800 -1.569 0.000 2.634 160 G HA2 0.571 4.531 3.960 -0.000 0.000 0.309 160 G HA3 0.571 4.531 3.960 -0.000 0.000 0.309 160 G C -2.303 172.612 174.900 0.024 0.000 1.299 160 G CA -0.210 44.462 45.100 -0.713 0.000 0.798 160 G HN 0.106 nan 8.290 nan 0.000 0.490 161 Y N -1.195 119.152 120.300 0.078 0.000 2.677 161 Y HA 0.620 5.170 4.550 -0.000 0.000 0.334 161 Y C -0.339 175.475 175.900 -0.144 0.000 1.196 161 Y CA 0.158 58.176 58.100 -0.136 0.000 1.059 161 Y CB 1.894 40.433 38.460 0.132 0.000 1.315 161 Y HN 1.652 nan 8.280 nan 0.000 0.455 162 G N 3.047 110.995 108.800 -1.421 0.000 2.429 162 G HA2 0.421 4.381 3.960 -0.000 0.000 0.300 162 G HA3 0.421 4.381 3.960 -0.000 0.000 0.300 162 G C -2.340 172.234 174.900 -0.543 0.000 1.598 162 G CA -1.023 43.659 45.100 -0.697 0.000 0.863 162 G HN 0.654 nan 8.290 nan 0.000 0.614 163 Q N -0.194 119.491 119.800 -0.192 0.000 2.286 163 Q HA 0.635 4.975 4.340 -0.000 0.000 0.250 163 Q C -0.665 175.371 176.000 0.059 0.000 1.021 163 Q CA -0.599 55.201 55.803 -0.006 0.000 0.930 163 Q CB 1.705 30.489 28.738 0.078 0.000 1.266 163 Q HN 0.749 nan 8.270 nan 0.000 0.491 164 D N -0.173 120.293 120.400 0.109 0.000 4.288 164 D HA -0.108 4.532 4.640 -0.000 0.000 0.248 164 D C -0.130 176.237 176.300 0.111 0.000 1.054 164 D CA 0.692 54.763 54.000 0.118 0.000 1.179 164 D CB -0.833 40.022 40.800 0.093 0.000 0.859 164 D HN 0.575 nan 8.370 nan 0.000 0.402 165 S N 1.898 117.684 115.700 0.143 0.000 2.537 165 S HA -0.134 4.336 4.470 -0.000 0.000 0.240 165 S C 1.668 176.356 174.600 0.148 0.000 0.981 165 S CA 0.692 58.989 58.200 0.161 0.000 0.948 165 S CB 0.229 63.564 63.200 0.224 0.000 0.759 165 S HN 0.425 nan 8.310 nan 0.000 0.531 166 R N 0.008 120.579 120.500 0.118 0.000 2.308 166 R HA 0.506 4.846 4.340 -0.000 0.000 0.202 166 R C 0.132 176.461 176.300 0.049 0.000 0.898 166 R CA 0.062 56.217 56.100 0.091 0.000 1.046 166 R CB -0.072 30.314 30.300 0.144 0.000 1.026 166 R HN 0.388 nan 8.270 nan 0.000 0.512 167 L N 1.132 122.376 121.223 0.035 0.000 2.330 167 L HA 0.517 4.857 4.340 -0.000 0.000 0.271 167 L C -2.098 174.757 176.870 -0.025 0.000 1.013 167 L CA -2.411 52.434 54.840 0.008 0.000 0.816 167 L CB 1.854 43.923 42.059 0.017 0.000 1.287 167 L HN -0.089 nan 8.230 nan 0.000 0.435 168 P HA 0.141 nan 4.420 nan 0.000 0.272 168 P C -1.193 176.104 177.300 -0.005 0.000 1.240 168 P CA -0.363 62.716 63.100 -0.036 0.000 0.791 168 P CB 0.739 32.391 31.700 -0.081 0.000 0.978 169 S N 0.109 115.856 115.700 0.078 0.000 2.733 169 S HA 0.297 4.767 4.470 -0.000 0.000 0.294 169 S C -0.822 173.851 174.600 0.123 0.000 1.149 169 S CA -0.650 57.594 58.200 0.073 0.000 1.034 169 S CB 0.829 64.170 63.200 0.234 0.000 1.015 169 S HN 0.339 nan 8.310 nan 0.000 0.486 170 E N 1.981 122.101 120.200 -0.132 0.000 2.235 170 E HA 0.699 5.049 4.350 -0.000 0.000 0.265 170 E C -1.404 175.005 176.600 -0.317 0.000 0.940 170 E CA -0.781 55.617 56.400 -0.002 0.000 0.819 170 E CB 1.678 31.427 29.700 0.082 0.000 1.206 170 E HN 0.411 nan 8.360 nan 0.000 0.409 171 F N 0.397 120.424 119.950 0.129 0.000 2.604 171 F HA 0.142 4.669 4.527 -0.000 0.000 0.316 171 F C -0.472 175.377 175.800 0.082 0.000 1.136 171 F CA -1.105 56.934 58.000 0.065 0.000 0.989 171 F CB 1.741 40.752 39.000 0.017 0.000 1.258 171 F HN 0.296 nan 8.300 nan 0.000 0.451 172 D N 3.488 124.034 120.400 0.244 0.000 2.325 172 D HA 0.236 4.876 4.640 -0.000 0.000 0.251 172 D C 0.549 176.981 176.300 0.219 0.000 1.196 172 D CA 0.319 54.435 54.000 0.193 0.000 0.866 172 D CB 1.101 41.989 40.800 0.146 0.000 1.101 172 D HN 0.581 nan 8.370 nan 0.000 0.476 173 L N 2.642 124.002 121.223 0.229 0.000 2.084 173 L HA -0.130 4.210 4.340 -0.000 0.000 0.202 173 L C 2.292 179.406 176.870 0.406 0.000 1.074 173 L CA 0.213 55.214 54.840 0.268 0.000 0.757 173 L CB -0.579 41.632 42.059 0.253 0.000 0.918 173 L HN 0.432 nan 8.230 nan 0.000 0.444 174 S N 0.768 116.638 115.700 0.284 0.000 2.674 174 S HA -0.448 4.022 4.470 -0.000 0.000 0.389 174 S C 1.739 176.454 174.600 0.192 0.000 1.310 174 S CA 2.221 60.553 58.200 0.219 0.000 1.629 174 S CB -1.176 62.110 63.200 0.143 0.000 1.500 174 S HN 0.596 nan 8.310 nan 0.000 0.478 175 A N -0.463 122.457 122.820 0.166 0.000 2.255 175 A HA 0.362 4.682 4.320 -0.000 0.000 0.206 175 A C 1.232 178.638 177.584 -0.297 0.000 1.193 175 A CA 0.882 52.863 52.037 -0.093 0.000 0.794 175 A CB -0.606 18.240 19.000 -0.257 0.000 0.794 175 A HN 0.541 nan 8.150 nan 0.000 0.481 176 F N -1.385 118.594 119.950 0.049 0.000 2.789 176 F HA 0.336 4.863 4.527 -0.000 0.000 0.320 176 F C 0.642 176.469 175.800 0.045 0.000 1.079 176 F CA -0.706 57.320 58.000 0.043 0.000 1.205 176 F CB -0.010 39.016 39.000 0.044 0.000 1.046 176 F HN -0.079 nan 8.300 nan 0.000 0.586 177 L N 1.915 123.294 121.223 0.260 0.000 2.439 177 L HA 0.296 4.636 4.340 -0.000 0.000 0.269 177 L C 0.527 177.447 176.870 0.083 0.000 1.179 177 L CA 0.167 55.105 54.840 0.162 0.000 0.828 177 L CB 0.756 42.934 42.059 0.197 0.000 1.106 177 L HN 0.125 nan 8.230 nan 0.000 0.467 178 R N 0.945 121.457 120.500 0.021 0.000 2.981 178 R HA 0.767 5.107 4.340 -0.000 0.000 0.228 178 R C -0.708 175.584 176.300 -0.014 0.000 1.421 178 R CA -0.840 55.256 56.100 -0.005 0.000 1.073 178 R CB 1.319 31.594 30.300 -0.042 0.000 1.568 178 R HN 0.708 nan 8.270 nan 0.000 0.514 179 A N -0.065 122.741 122.820 -0.023 0.000 2.312 179 A HA 0.675 4.995 4.320 -0.000 0.000 0.328 179 A C 0.253 177.800 177.584 -0.062 0.000 1.158 179 A CA 0.218 52.238 52.037 -0.029 0.000 0.821 179 A CB 0.732 19.724 19.000 -0.012 0.000 1.170 179 A HN 0.805 nan 8.150 nan 0.000 0.490 180 G N 0.565 109.320 108.800 -0.075 0.000 2.562 180 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.250 180 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.250 180 G C -0.053 174.755 174.900 -0.152 0.000 1.269 180 G CA 0.039 45.083 45.100 -0.093 0.000 0.919 180 G HN 1.037 nan 8.290 nan 0.000 0.574 181 E N 1.335 121.447 120.200 -0.148 0.000 2.653 181 E HA 0.052 4.402 4.350 -0.000 0.000 0.264 181 E C 0.179 176.601 176.600 -0.296 0.000 0.949 181 E CA 0.912 57.191 56.400 -0.201 0.000 0.953 181 E CB 0.007 29.627 29.700 -0.134 0.000 0.925 181 E HN 0.459 nan 8.360 nan 0.000 0.475 182 N N 2.371 120.773 118.700 -0.498 0.000 2.484 182 N HA 0.314 5.053 4.740 -0.000 0.000 0.269 182 N C -1.024 174.141 175.510 -0.576 0.000 1.237 182 N CA -0.621 52.040 53.050 -0.648 0.000 0.838 182 N CB 2.316 40.162 38.487 -1.068 0.000 1.593 182 N HN 0.305 nan 8.380 nan 0.000 0.485 183 R N 1.372 121.720 120.500 -0.254 0.000 2.628 183 R HA 0.587 4.927 4.340 -0.000 0.000 0.288 183 R C -1.392 174.971 176.300 0.104 0.000 0.980 183 R CA -0.525 55.547 56.100 -0.046 0.000 0.891 183 R CB 1.352 31.608 30.300 -0.074 0.000 1.188 183 R HN 0.467 nan 8.270 nan 0.000 0.450 184 L N 2.352 123.688 121.223 0.188 0.000 2.334 184 L HA 0.786 5.126 4.340 -0.000 0.000 0.273 184 L C -0.463 176.491 176.870 0.141 0.000 1.013 184 L CA -0.805 54.151 54.840 0.192 0.000 0.816 184 L CB 2.144 44.334 42.059 0.218 0.000 1.278 184 L HN 0.700 nan 8.230 nan 0.000 0.431 185 A N 2.371 125.300 122.820 0.181 0.000 2.522 185 A HA 0.709 5.029 4.320 -0.000 0.000 0.285 185 A C -0.818 177.108 177.584 0.570 0.000 1.198 185 A CA -0.524 51.605 52.037 0.153 0.000 0.742 185 A CB 0.849 19.364 19.000 -0.809 0.000 1.176 185 A HN 0.385 nan 8.150 nan 0.000 0.444 186 V N 1.834 122.244 119.914 0.827 0.000 2.465 186 V HA 0.583 4.703 4.120 -0.000 0.000 0.279 186 V C 0.253 176.859 176.094 0.852 0.000 1.045 186 V CA -0.412 62.376 62.300 0.813 0.000 0.938 186 V CB 1.250 33.485 31.823 0.686 0.000 0.986 186 V HN 0.926 nan 8.190 nan 0.000 0.467 187 M N 5.813 125.884 119.600 0.784 0.000 2.023 187 M HA 0.555 5.035 4.480 -0.000 0.000 0.325 187 M C -1.260 175.302 176.300 0.436 0.000 0.963 187 M CA -0.355 55.263 55.300 0.530 0.000 0.928 187 M CB 1.102 34.073 32.600 0.618 0.000 1.429 187 M HN 0.526 nan 8.290 nan 0.000 0.404 188 V N 5.405 125.523 119.914 0.341 0.000 2.607 188 V HA 0.486 4.606 4.120 -0.000 0.000 0.289 188 V C -0.252 176.016 176.094 0.290 0.000 1.053 188 V CA -0.666 61.821 62.300 0.311 0.000 0.996 188 V CB 1.213 33.186 31.823 0.251 0.000 0.995 188 V HN 0.761 nan 8.190 nan 0.000 0.476 189 L N 3.594 124.936 121.223 0.199 0.000 2.341 189 L HA 0.603 4.943 4.340 -0.000 0.000 0.267 189 L C 1.119 178.003 176.870 0.024 0.000 1.009 189 L CA -0.249 54.643 54.840 0.086 0.000 0.819 189 L CB 1.650 43.681 42.059 -0.047 0.000 1.323 189 L HN 0.459 nan 8.230 nan 0.000 0.425 190 R N 0.917 121.346 120.500 -0.119 0.000 2.046 190 R HA 0.094 4.434 4.340 -0.000 0.000 0.223 190 R C -0.471 175.670 176.300 -0.265 0.000 1.179 190 R CA 0.901 56.739 56.100 -0.437 0.000 0.952 190 R CB 0.038 29.815 30.300 -0.872 0.000 0.843 190 R HN 0.574 nan 8.270 nan 0.000 0.439 191 W N 0.675 122.023 121.300 0.079 0.000 2.315 191 W HA 0.305 4.965 4.660 -0.000 0.000 0.316 191 W C 0.312 176.938 176.519 0.178 0.000 1.211 191 W CA -0.662 56.744 57.345 0.101 0.000 1.201 191 W CB 1.016 30.530 29.460 0.090 0.000 1.184 191 W HN 0.074 nan 8.180 nan 0.000 0.544 192 S N 0.298 116.305 115.700 0.512 0.000 2.596 192 S HA 0.150 4.620 4.470 -0.000 0.000 0.270 192 S C 0.462 175.353 174.600 0.486 0.000 1.155 192 S CA -0.285 58.222 58.200 0.513 0.000 0.827 192 S CB 1.007 64.462 63.200 0.425 0.000 1.130 192 S HN 0.662 nan 8.310 nan 0.000 0.467 193 D N 1.809 122.488 120.400 0.464 0.000 2.133 193 D HA -0.029 4.611 4.640 -0.000 0.000 0.195 193 D C 1.934 178.553 176.300 0.532 0.000 0.997 193 D CA 1.805 56.098 54.000 0.489 0.000 0.840 193 D CB -0.919 40.024 40.800 0.238 0.000 0.947 193 D HN 0.708 nan 8.370 nan 0.000 0.452 194 G N 0.024 109.062 108.800 0.396 0.000 2.547 194 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.221 194 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.221 194 G C 1.793 176.898 174.900 0.343 0.000 1.140 194 G CA 1.338 46.641 45.100 0.338 0.000 0.760 194 G HN 0.358 nan 8.290 nan 0.000 0.583 195 S N 0.282 116.184 115.700 0.337 0.000 2.389 195 S HA -0.239 4.231 4.470 -0.000 0.000 0.229 195 S C 1.988 176.714 174.600 0.209 0.000 1.048 195 S CA 1.774 60.126 58.200 0.253 0.000 1.117 195 S CB -0.651 62.662 63.200 0.188 0.000 1.020 195 S HN 0.523 nan 8.310 nan 0.000 0.430 196 Y N 1.103 121.474 120.300 0.118 0.000 2.405 196 Y HA -0.114 4.436 4.550 -0.000 0.000 0.282 196 Y C 1.494 177.486 175.900 0.153 0.000 1.182 196 Y CA 0.717 58.813 58.100 -0.006 0.000 1.312 196 Y CB -0.480 37.855 38.460 -0.208 0.000 0.971 196 Y HN 0.221 nan 8.280 nan 0.000 0.560 197 L N -0.310 121.103 121.223 0.316 0.000 2.910 197 L HA 0.186 4.526 4.340 -0.000 0.000 0.252 197 L C 0.140 177.156 176.870 0.243 0.000 1.195 197 L CA 0.207 55.193 54.840 0.244 0.000 1.003 197 L CB 0.169 42.369 42.059 0.235 0.000 1.328 197 L HN 0.115 nan 8.230 nan 0.000 0.540 198 E N -0.225 120.133 120.200 0.263 0.000 3.858 198 E HA 0.054 4.404 4.350 -0.000 0.000 0.208 198 E C -0.527 176.190 176.600 0.195 0.000 1.041 198 E CA -0.045 56.499 56.400 0.240 0.000 1.368 198 E CB 0.616 30.462 29.700 0.243 0.000 1.176 198 E HN 0.043 nan 8.360 nan 0.000 0.448 199 D N 1.496 121.974 120.400 0.129 0.000 2.690 199 D HA 0.027 4.667 4.640 -0.000 0.000 0.236 199 D C -0.292 175.987 176.300 -0.035 0.000 1.218 199 D CA 0.010 53.959 54.000 -0.085 0.000 0.829 199 D CB 0.085 40.592 40.800 -0.489 0.000 1.009 199 D HN 0.077 nan 8.370 nan 0.000 0.482 200 Q N 0.576 120.444 119.800 0.112 0.000 2.327 200 Q HA 0.133 4.473 4.340 -0.000 0.000 0.254 200 Q C 0.025 176.092 176.000 0.111 0.000 0.952 200 Q CA -0.257 55.657 55.803 0.186 0.000 0.884 200 Q CB 0.949 29.893 28.738 0.344 0.000 1.224 200 Q HN 0.146 nan 8.270 nan 0.000 0.422 201 D N 3.857 124.319 120.400 0.103 0.000 2.349 201 D HA 0.135 4.775 4.640 -0.000 0.000 0.266 201 D C -0.507 175.872 176.300 0.131 0.000 1.293 201 D CA 0.430 54.443 54.000 0.020 0.000 0.926 201 D CB -0.002 40.823 40.800 0.042 0.000 1.090 201 D HN 0.618 nan 8.370 nan 0.000 0.502 202 M N 1.395 121.029 119.600 0.058 0.000 3.417 202 M HA 0.240 4.720 4.480 -0.000 0.000 0.309 202 M C -1.797 174.605 176.300 0.169 0.000 1.072 202 M CA -1.131 54.224 55.300 0.091 0.000 0.882 202 M CB 1.045 33.692 32.600 0.078 0.000 1.786 202 M HN 0.045 nan 8.290 nan 0.000 0.556 203 W N 2.238 123.656 121.300 0.196 0.000 2.356 203 W HA 0.447 5.107 4.660 -0.000 0.000 0.311 203 W C 0.231 176.773 176.519 0.038 0.000 1.328 203 W CA -0.474 56.959 57.345 0.146 0.000 1.251 203 W CB 0.625 30.122 29.460 0.062 0.000 1.280 203 W HN 0.267 nan 8.180 nan 0.000 0.524 204 R N 5.063 125.748 120.500 0.309 0.000 3.247 204 R HA 0.142 4.482 4.340 -0.000 0.000 0.212 204 R C 0.141 176.498 176.300 0.096 0.000 1.604 204 R CA 0.152 56.378 56.100 0.210 0.000 1.279 204 R CB -0.875 29.600 30.300 0.291 0.000 1.277 204 R HN 0.605 nan 8.270 nan 0.000 0.669 205 M N 0.002 119.564 119.600 -0.063 0.000 2.277 205 M HA 0.269 4.749 4.480 -0.000 0.000 0.210 205 M C 0.333 176.398 176.300 -0.392 0.000 0.951 205 M CA -0.016 55.130 55.300 -0.258 0.000 1.743 205 M CB 0.543 32.929 32.600 -0.358 0.000 1.103 205 M HN 0.534 nan 8.290 nan 0.000 0.856 206 S N -1.801 113.545 115.700 -0.589 0.000 2.686 206 S HA 0.705 5.175 4.470 -0.000 0.000 0.273 206 S C -0.689 173.465 174.600 -0.743 0.000 1.060 206 S CA -0.547 57.211 58.200 -0.736 0.000 0.845 206 S CB 0.853 63.516 63.200 -0.894 0.000 1.086 206 S HN 1.446 nan 8.310 nan 0.000 0.461 207 G N -0.067 108.433 108.800 -0.499 0.000 2.353 207 G HA2 0.226 4.186 3.960 -0.000 0.000 0.615 207 G HA3 0.226 4.186 3.960 -0.000 0.000 0.615 207 G C -1.278 173.576 174.900 -0.077 0.000 1.280 207 G CA -0.558 44.465 45.100 -0.128 0.000 1.000 207 G HN 1.319 nan 8.290 nan 0.000 0.516 208 I N 2.077 122.512 120.570 -0.225 0.000 2.243 208 I HA 0.236 4.406 4.170 -0.000 0.000 0.289 208 I C 1.393 177.415 176.117 -0.158 0.000 1.140 208 I CA -0.334 60.782 61.300 -0.307 0.000 1.289 208 I CB -0.199 37.477 38.000 -0.539 0.000 1.498 208 I HN 0.496 nan 8.210 nan 0.000 0.561 209 F N 2.664 122.486 119.950 -0.214 0.000 2.802 209 F HA 0.337 4.864 4.527 -0.000 0.000 0.300 209 F C 0.872 176.600 175.800 -0.121 0.000 1.168 209 F CA -0.176 57.722 58.000 -0.170 0.000 1.433 209 F CB -0.284 38.613 39.000 -0.171 0.000 1.115 209 F HN 0.125 nan 8.300 nan 0.000 0.582 210 R N 0.315 120.567 120.500 -0.414 0.000 2.950 210 R HA 0.253 4.593 4.340 -0.000 0.000 0.253 210 R C -0.584 175.603 176.300 -0.188 0.000 1.168 210 R CA -0.941 54.999 56.100 -0.266 0.000 1.014 210 R CB 0.873 30.951 30.300 -0.371 0.000 1.228 210 R HN 0.056 nan 8.270 nan 0.000 0.487 211 D N 0.116 120.458 120.400 -0.098 0.000 2.364 211 D HA 0.168 4.808 4.640 -0.000 0.000 0.236 211 D C -0.653 175.531 176.300 -0.193 0.000 1.221 211 D CA 0.096 54.030 54.000 -0.110 0.000 0.891 211 D CB 0.395 41.178 40.800 -0.030 0.000 1.190 211 D HN 0.006 nan 8.370 nan 0.000 0.449 212 V N 0.170 119.963 119.914 -0.201 0.000 2.567 212 V HA 0.515 4.635 4.120 -0.000 0.000 0.298 212 V C -0.442 175.557 176.094 -0.159 0.000 1.047 212 V CA -0.651 61.471 62.300 -0.296 0.000 0.880 212 V CB 1.227 32.797 31.823 -0.420 0.000 1.009 212 V HN 0.785 nan 8.190 nan 0.000 0.429 213 S N 4.932 120.551 115.700 -0.135 0.000 2.811 213 S HA 0.915 5.385 4.470 -0.000 0.000 0.311 213 S C -1.030 173.570 174.600 -0.000 0.000 1.152 213 S CA -1.025 57.150 58.200 -0.042 0.000 0.864 213 S CB 2.272 65.471 63.200 -0.003 0.000 1.226 213 S HN 0.444 nan 8.310 nan 0.000 0.541 214 L N 1.065 122.340 121.223 0.086 0.000 2.436 214 L HA 0.582 4.922 4.340 -0.000 0.000 0.268 214 L C -1.699 175.317 176.870 0.245 0.000 0.974 214 L CA -0.776 54.175 54.840 0.186 0.000 0.826 214 L CB 1.920 44.146 42.059 0.278 0.000 1.291 214 L HN 0.530 nan 8.230 nan 0.000 0.406 215 L N 2.572 123.909 121.223 0.190 0.000 2.322 215 L HA 0.468 4.808 4.340 -0.000 0.000 0.281 215 L C -0.811 176.037 176.870 -0.037 0.000 1.014 215 L CA -0.171 54.729 54.840 0.101 0.000 0.815 215 L CB 1.201 43.322 42.059 0.103 0.000 1.247 215 L HN 0.444 nan 8.230 nan 0.000 0.421 216 H N 4.120 122.954 119.070 -0.393 0.000 2.673 216 H HA 0.493 5.049 4.556 -0.000 0.000 0.293 216 H C -1.032 174.053 175.328 -0.405 0.000 1.065 216 H CA -0.218 55.407 56.048 -0.704 0.000 1.236 216 H CB 0.528 29.238 29.762 -1.753 0.000 1.389 216 H HN 0.552 nan 8.280 nan 0.000 0.481 217 K N 5.434 125.511 120.400 -0.538 0.000 2.259 217 K HA 0.370 4.690 4.320 -0.000 0.000 0.252 217 K C -2.625 173.710 176.600 -0.443 0.000 0.936 217 K CA -2.315 53.743 56.287 -0.382 0.000 0.810 217 K CB 1.633 33.983 32.500 -0.250 0.000 1.143 217 K HN 0.423 nan 8.250 nan 0.000 0.427 218 P HA -0.024 nan 4.420 nan 0.000 0.270 218 P C 0.334 177.517 177.300 -0.195 0.000 1.223 218 P CA -0.082 62.879 63.100 -0.232 0.000 0.785 218 P CB 0.398 32.014 31.700 -0.139 0.000 0.923 219 T N -2.218 112.247 114.554 -0.148 0.000 2.833 219 T HA -0.067 4.283 4.350 -0.000 0.000 0.269 219 T C 0.742 175.373 174.700 -0.116 0.000 1.054 219 T CA 1.371 63.401 62.100 -0.116 0.000 1.135 219 T CB -0.773 68.046 68.868 -0.080 0.000 0.869 219 T HN 0.346 nan 8.240 nan 0.000 0.466 220 T N 3.248 117.732 114.554 -0.117 0.000 2.821 220 T HA 0.452 4.802 4.350 -0.000 0.000 0.307 220 T C -0.352 174.262 174.700 -0.143 0.000 1.034 220 T CA -0.805 61.214 62.100 -0.134 0.000 0.953 220 T CB 0.788 69.580 68.868 -0.126 0.000 0.968 220 T HN 0.580 nan 8.240 nan 0.000 0.462 221 Q N 3.086 122.787 119.800 -0.165 0.000 2.687 221 Q HA 0.573 4.913 4.340 -0.000 0.000 0.305 221 Q C -1.149 174.733 176.000 -0.197 0.000 1.006 221 Q CA -1.136 54.557 55.803 -0.182 0.000 0.763 221 Q CB 1.275 29.882 28.738 -0.218 0.000 1.506 221 Q HN 0.442 nan 8.270 nan 0.000 0.459 222 I N 2.350 122.768 120.570 -0.254 0.000 2.471 222 I HA 0.060 4.230 4.170 -0.000 0.000 0.286 222 I C 0.417 176.271 176.117 -0.438 0.000 1.079 222 I CA -0.069 61.056 61.300 -0.292 0.000 1.398 222 I CB 1.070 38.844 38.000 -0.376 0.000 1.403 222 I HN 0.791 nan 8.210 nan 0.000 0.530 223 S N 2.505 118.064 115.700 -0.235 0.000 2.559 223 S HA 0.244 4.714 4.470 -0.000 0.000 0.226 223 S C -0.018 174.661 174.600 0.133 0.000 1.000 223 S CA -0.405 57.700 58.200 -0.158 0.000 0.948 223 S CB 0.300 63.468 63.200 -0.052 0.000 0.870 223 S HN 0.794 nan 8.310 nan 0.000 0.497 224 D N -0.069 120.475 120.400 0.240 0.000 2.997 224 D HA 0.420 5.060 4.640 -0.000 0.000 0.276 224 D C -2.039 174.577 176.300 0.527 0.000 1.141 224 D CA -0.525 53.782 54.000 0.512 0.000 0.727 224 D CB 0.986 41.983 40.800 0.327 0.000 1.306 224 D HN 0.130 nan 8.370 nan 0.000 0.439 225 F N -0.740 119.336 119.950 0.209 0.000 2.746 225 F HA 0.602 5.129 4.527 -0.000 0.000 0.311 225 F C -1.576 174.399 175.800 0.291 0.000 1.135 225 F CA -0.743 57.309 58.000 0.086 0.000 0.954 225 F CB 0.648 39.690 39.000 0.069 0.000 1.276 225 F HN 0.356 nan 8.300 nan 0.000 0.440 226 H N 0.302 119.365 119.070 -0.012 0.000 2.894 226 H HA 0.925 5.481 4.556 -0.000 0.000 0.368 226 H C -1.296 173.979 175.328 -0.089 0.000 1.181 226 H CA -1.701 54.262 56.048 -0.142 0.000 1.146 226 H CB 2.822 32.528 29.762 -0.094 0.000 1.839 226 H HN 0.635 nan 8.280 nan 0.000 0.557 227 V N -0.511 119.404 119.914 0.003 0.000 2.925 227 V HA 0.886 5.006 4.120 -0.000 0.000 0.311 227 V C -0.667 175.373 176.094 -0.090 0.000 1.104 227 V CA -0.944 61.326 62.300 -0.051 0.000 0.954 227 V CB 1.485 33.255 31.823 -0.089 0.000 1.022 227 V HN 1.001 nan 8.190 nan 0.000 0.427 228 A N 1.887 124.633 122.820 -0.123 0.000 2.589 228 A HA 0.965 5.285 4.320 -0.000 0.000 0.296 228 A C -0.432 177.017 177.584 -0.225 0.000 1.062 228 A CA -0.128 51.823 52.037 -0.143 0.000 0.686 228 A CB 2.073 21.015 19.000 -0.096 0.000 1.282 228 A HN 1.474 nan 8.150 nan 0.000 0.404 229 T N -0.276 114.121 114.554 -0.261 0.000 2.893 229 T HA 0.867 5.216 4.350 -0.000 0.000 0.291 229 T C -0.490 173.924 174.700 -0.477 0.000 1.028 229 T CA -0.870 60.963 62.100 -0.444 0.000 0.995 229 T CB 1.587 70.049 68.868 -0.677 0.000 1.051 229 T HN 0.816 nan 8.240 nan 0.000 0.470 230 R N 0.993 121.105 120.500 -0.648 0.000 2.795 230 R HA 0.785 5.125 4.340 -0.000 0.000 0.275 230 R C -1.444 174.378 176.300 -0.797 0.000 0.981 230 R CA -0.878 54.910 56.100 -0.519 0.000 0.917 230 R CB 1.628 31.797 30.300 -0.218 0.000 1.202 230 R HN 0.550 nan 8.270 nan 0.000 0.469 231 F N -0.132 119.768 119.950 -0.083 0.000 2.664 231 F HA 0.414 4.941 4.527 -0.000 0.000 0.329 231 F C 0.228 175.868 175.800 -0.267 0.000 1.090 231 F CA -1.289 56.605 58.000 -0.177 0.000 0.978 231 F CB 0.769 39.546 39.000 -0.371 0.000 1.378 231 F HN 0.469 nan 8.300 nan 0.000 0.495 232 N N 0.030 118.686 118.700 -0.073 0.000 2.458 232 N HA 0.109 4.849 4.740 -0.000 0.000 0.271 232 N C 0.360 175.727 175.510 -0.239 0.000 1.210 232 N CA -0.322 52.661 53.050 -0.112 0.000 0.978 232 N CB 0.290 38.751 38.487 -0.043 0.000 1.206 232 N HN 0.706 nan 8.380 nan 0.000 0.536 233 D N -1.219 119.099 120.400 -0.136 0.000 2.362 233 D HA -0.243 4.397 4.640 -0.000 0.000 0.215 233 D C 0.293 176.547 176.300 -0.077 0.000 0.978 233 D CA 1.419 55.352 54.000 -0.112 0.000 0.921 233 D CB -0.238 40.543 40.800 -0.033 0.000 0.895 233 D HN 0.733 nan 8.370 nan 0.000 0.494 234 D N -1.979 118.390 120.400 -0.052 0.000 2.520 234 D HA -0.027 4.613 4.640 -0.000 0.000 0.223 234 D C 0.413 176.952 176.300 0.399 0.000 1.186 234 D CA -0.514 53.589 54.000 0.172 0.000 0.821 234 D CB -0.668 40.212 40.800 0.133 0.000 1.072 234 D HN 0.159 nan 8.370 nan 0.000 0.518 235 F N 0.367 120.381 119.950 0.106 0.000 2.628 235 F HA -0.273 4.254 4.527 -0.000 0.000 0.319 235 F C 1.676 177.569 175.800 0.156 0.000 0.645 235 F CA 0.707 58.800 58.000 0.154 0.000 1.499 235 F CB -2.484 36.525 39.000 0.015 0.000 1.900 235 F HN 0.095 nan 8.300 nan 0.000 0.308 236 S N -0.732 115.097 115.700 0.214 0.000 2.481 236 S HA 0.077 4.547 4.470 -0.000 0.000 0.231 236 S C 0.768 175.437 174.600 0.116 0.000 0.996 236 S CA 0.439 58.727 58.200 0.147 0.000 0.942 236 S CB 0.158 63.415 63.200 0.095 0.000 0.768 236 S HN 0.352 nan 8.310 nan 0.000 0.520 237 R N 0.784 121.356 120.500 0.119 0.000 2.686 237 R HA 0.832 5.172 4.340 -0.000 0.000 0.283 237 R C -1.015 175.335 176.300 0.083 0.000 0.978 237 R CA -0.344 55.797 56.100 0.068 0.000 0.897 237 R CB 1.797 32.107 30.300 0.016 0.000 1.192 237 R HN 0.216 nan 8.270 nan 0.000 0.457 238 A N 1.342 124.175 122.820 0.021 0.000 2.479 238 A HA 0.781 5.101 4.320 -0.000 0.000 0.296 238 A C -1.187 176.346 177.584 -0.084 0.000 1.121 238 A CA -0.743 51.244 52.037 -0.084 0.000 0.743 238 A CB 2.260 21.262 19.000 0.003 0.000 1.323 238 A HN 0.345 nan 8.150 nan 0.000 0.415 239 V N 1.148 120.966 119.914 -0.159 0.000 2.638 239 V HA 0.516 4.636 4.120 -0.000 0.000 0.306 239 V C -1.180 174.839 176.094 -0.126 0.000 1.052 239 V CA -0.448 61.785 62.300 -0.111 0.000 0.885 239 V CB 1.550 33.297 31.823 -0.126 0.000 0.999 239 V HN 0.936 nan 8.190 nan 0.000 0.424 240 L N 4.946 126.131 121.223 -0.063 0.000 2.287 240 L HA 0.656 4.996 4.340 -0.000 0.000 0.287 240 L C -0.295 176.520 176.870 -0.091 0.000 1.022 240 L CA 0.456 55.233 54.840 -0.105 0.000 0.814 240 L CB 1.405 43.438 42.059 -0.044 0.000 1.217 240 L HN 0.685 nan 8.230 nan 0.000 0.420 241 E N 4.157 124.294 120.200 -0.104 0.000 2.129 241 E HA 0.637 4.987 4.350 -0.000 0.000 0.268 241 E C -1.161 175.412 176.600 -0.046 0.000 0.900 241 E CA -0.781 55.575 56.400 -0.073 0.000 0.755 241 E CB 1.581 31.235 29.700 -0.076 0.000 1.117 241 E HN 0.824 nan 8.360 nan 0.000 0.410 242 A N 4.691 127.494 122.820 -0.028 0.000 2.316 242 A HA 0.175 4.495 4.320 -0.000 0.000 0.324 242 A C -0.243 177.334 177.584 -0.012 0.000 1.375 242 A CA -0.577 51.469 52.037 0.015 0.000 0.882 242 A CB 0.458 19.478 19.000 0.033 0.000 1.152 242 A HN 0.660 nan 8.150 nan 0.000 0.512 243 E N 3.448 123.636 120.200 -0.020 0.000 2.089 243 E HA 0.438 4.788 4.350 -0.000 0.000 0.284 243 E C -1.073 175.469 176.600 -0.096 0.000 1.023 243 E CA -0.271 56.068 56.400 -0.103 0.000 0.819 243 E CB 0.807 30.404 29.700 -0.172 0.000 1.076 243 E HN 0.363 nan 8.360 nan 0.000 0.396 244 V N 4.248 124.106 119.914 -0.094 0.000 2.612 244 V HA 0.326 4.446 4.120 -0.000 0.000 0.301 244 V C -0.159 175.916 176.094 -0.032 0.000 1.046 244 V CA -0.673 61.601 62.300 -0.044 0.000 0.946 244 V CB 1.558 33.323 31.823 -0.095 0.000 1.003 244 V HN 0.734 nan 8.190 nan 0.000 0.459 245 Q N 3.282 123.116 119.800 0.057 0.000 2.305 245 Q HA 0.688 5.027 4.340 -0.000 0.000 0.271 245 Q C -0.970 175.105 176.000 0.125 0.000 1.046 245 Q CA -0.742 55.126 55.803 0.107 0.000 0.798 245 Q CB 2.621 31.359 28.738 0.000 0.000 1.286 245 Q HN 0.851 nan 8.270 nan 0.000 0.435 246 M N -0.660 119.026 119.600 0.144 0.000 2.654 246 M HA 0.803 5.283 4.480 -0.000 0.000 0.310 246 M C -1.006 175.223 176.300 -0.118 0.000 1.211 246 M CA -0.314 54.943 55.300 -0.071 0.000 0.947 246 M CB 1.762 34.148 32.600 -0.356 0.000 1.647 246 M HN 0.535 nan 8.290 nan 0.000 0.481 247 C N 1.020 120.230 119.300 -0.150 0.000 2.802 247 C HA 0.999 5.459 4.460 -0.000 0.000 0.307 247 C C 0.536 175.431 174.990 -0.159 0.000 1.222 247 C CA 0.800 59.742 59.018 -0.127 0.000 1.580 247 C CB 1.078 28.760 27.740 -0.098 0.000 2.119 247 C HN 1.360 nan 8.230 nan 0.000 0.479 248 G N 2.429 111.150 108.800 -0.132 0.000 2.428 248 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.202 248 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.202 248 G C -0.827 173.990 174.900 -0.138 0.000 1.247 248 G CA -0.593 44.429 45.100 -0.130 0.000 1.020 248 G HN 0.817 nan 8.290 nan 0.000 0.529 249 E N 0.709 120.831 120.200 -0.129 0.000 1.932 249 E HA 0.409 4.759 4.350 -0.000 0.000 0.275 249 E C 0.913 177.412 176.600 -0.168 0.000 1.159 249 E CA -0.305 56.026 56.400 -0.116 0.000 0.905 249 E CB 0.115 29.775 29.700 -0.067 0.000 1.059 249 E HN 0.434 nan 8.360 nan 0.000 0.400 250 L N 3.547 124.657 121.223 -0.188 0.000 2.543 250 L HA 0.025 4.365 4.340 -0.000 0.000 0.285 250 L C 0.608 177.359 176.870 -0.198 0.000 1.236 250 L CA 0.976 55.673 54.840 -0.239 0.000 0.871 250 L CB 0.298 42.241 42.059 -0.193 0.000 1.121 250 L HN 0.542 nan 8.230 nan 0.000 0.501 251 R N 2.196 122.527 120.500 -0.281 0.000 3.066 251 R HA -0.013 4.327 4.340 -0.000 0.000 0.201 251 R C 0.584 176.641 176.300 -0.405 0.000 1.606 251 R CA -0.156 55.782 56.100 -0.269 0.000 1.062 251 R CB 0.230 30.420 30.300 -0.183 0.000 1.545 251 R HN 0.929 nan 8.270 nan 0.000 0.543 252 D N 1.303 121.612 120.400 -0.152 0.000 7.648 252 D HA -0.368 4.272 4.640 -0.000 0.000 0.223 252 D C 0.774 177.033 176.300 -0.069 0.000 2.149 252 D CA 2.673 56.638 54.000 -0.057 0.000 0.379 252 D CB -0.692 40.135 40.800 0.044 0.000 0.319 252 D HN 0.699 nan 8.370 nan 0.000 1.128 253 Y N 0.367 120.651 120.300 -0.027 0.000 2.465 253 Y HA 0.531 5.081 4.550 -0.000 0.000 0.311 253 Y C 0.761 176.625 175.900 -0.061 0.000 1.204 253 Y CA -0.880 57.196 58.100 -0.040 0.000 1.272 253 Y CB -0.378 38.059 38.460 -0.038 0.000 1.083 253 Y HN -0.027 nan 8.280 nan 0.000 0.508 254 L N 1.892 122.831 121.223 -0.475 0.000 2.334 254 L HA 0.574 4.914 4.340 -0.000 0.000 0.277 254 L C -0.109 176.686 176.870 -0.125 0.000 1.075 254 L CA -0.742 53.906 54.840 -0.319 0.000 0.804 254 L CB 1.279 43.144 42.059 -0.322 0.000 1.174 254 L HN 0.116 nan 8.230 nan 0.000 0.438 255 R N 1.133 121.523 120.500 -0.183 0.000 2.869 255 R HA 0.802 5.142 4.340 -0.000 0.000 0.263 255 R C -1.571 174.693 176.300 -0.059 0.000 1.066 255 R CA -0.783 55.197 56.100 -0.200 0.000 0.960 255 R CB 2.293 32.290 30.300 -0.506 0.000 1.221 255 R HN 0.278 nan 8.270 nan 0.000 0.474 256 V N 0.282 120.202 119.914 0.011 0.000 2.777 256 V HA 0.562 4.682 4.120 -0.000 0.000 0.306 256 V C -1.156 174.995 176.094 0.095 0.000 1.112 256 V CA -0.600 61.739 62.300 0.065 0.000 0.917 256 V CB 2.575 34.314 31.823 -0.141 0.000 1.018 256 V HN 0.790 nan 8.190 nan 0.000 0.426 257 T N 3.734 118.343 114.554 0.092 0.000 2.881 257 T HA 0.529 4.879 4.350 -0.000 0.000 0.291 257 T C -0.701 173.970 174.700 -0.048 0.000 0.990 257 T CA -0.409 61.694 62.100 0.006 0.000 0.976 257 T CB 1.693 70.545 68.868 -0.026 0.000 0.970 257 T HN 0.313 nan 8.240 nan 0.000 0.438 258 V N 4.062 123.944 119.914 -0.053 0.000 2.394 258 V HA 0.624 4.744 4.120 -0.000 0.000 0.282 258 V C 0.023 176.079 176.094 -0.064 0.000 1.031 258 V CA -0.522 61.751 62.300 -0.047 0.000 0.881 258 V CB 1.598 33.398 31.823 -0.037 0.000 0.982 258 V HN 1.070 nan 8.190 nan 0.000 0.451 259 S N 5.819 121.489 115.700 -0.051 0.000 2.500 259 S HA 0.806 5.276 4.470 -0.000 0.000 0.301 259 S C -0.985 173.549 174.600 -0.110 0.000 1.092 259 S CA -0.756 57.355 58.200 -0.148 0.000 1.030 259 S CB 2.113 65.210 63.200 -0.173 0.000 1.031 259 S HN 0.436 nan 8.310 nan 0.000 0.483 260 L N 2.447 123.535 121.223 -0.224 0.000 2.325 260 L HA 0.662 5.002 4.340 -0.000 0.000 0.281 260 L C -1.844 174.963 176.870 -0.104 0.000 1.004 260 L CA -0.305 54.494 54.840 -0.069 0.000 0.823 260 L CB 0.720 42.746 42.059 -0.056 0.000 1.236 260 L HN 0.871 nan 8.230 nan 0.000 0.415 261 W N 4.004 125.381 121.300 0.128 0.000 2.656 261 W HA 0.476 5.136 4.660 -0.000 0.000 0.327 261 W C -0.142 176.520 176.519 0.239 0.000 1.041 261 W CA -0.574 56.856 57.345 0.142 0.000 1.229 261 W CB 1.623 31.126 29.460 0.072 0.000 1.397 261 W HN 0.417 nan 8.180 nan 0.000 0.479 262 Q N 3.355 123.451 119.800 0.492 0.000 2.834 262 Q HA 0.410 4.750 4.340 -0.000 0.000 0.271 262 Q C 1.008 177.105 176.000 0.161 0.000 1.196 262 Q CA 0.761 56.720 55.803 0.259 0.000 1.063 262 Q CB -0.066 28.781 28.738 0.182 0.000 1.265 262 Q HN 0.827 nan 8.270 nan 0.000 0.526 263 G N 2.047 110.928 108.800 0.134 0.000 5.426 263 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.297 263 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.297 263 G C 0.732 175.624 174.900 -0.013 0.000 1.422 263 G CA 0.443 45.564 45.100 0.035 0.000 0.938 263 G HN 0.530 nan 8.290 nan 0.000 0.754 264 E N 0.543 120.780 120.200 0.063 0.000 2.572 264 E HA 0.209 4.559 4.350 -0.000 0.000 0.220 264 E C -0.109 176.651 176.600 0.267 0.000 0.945 264 E CA 0.371 56.790 56.400 0.032 0.000 1.070 264 E CB 0.934 30.640 29.700 0.010 0.000 1.090 264 E HN 0.369 nan 8.360 nan 0.000 0.506 265 T N 1.264 116.043 114.554 0.376 0.000 2.758 265 T HA 0.162 4.512 4.350 -0.000 0.000 0.285 265 T C -0.323 174.648 174.700 0.451 0.000 0.981 265 T CA -0.300 62.028 62.100 0.379 0.000 0.965 265 T CB 1.475 70.460 68.868 0.195 0.000 0.927 265 T HN 0.021 nan 8.240 nan 0.000 0.448 266 Q N 3.951 123.759 119.800 0.014 0.000 2.323 266 Q HA 0.262 4.602 4.340 -0.000 0.000 0.257 266 Q C 0.308 176.122 176.000 -0.309 0.000 1.022 266 Q CA -0.290 55.067 55.803 -0.743 0.000 0.919 266 Q CB 0.509 28.485 28.738 -1.269 0.000 1.220 266 Q HN 0.490 nan 8.270 nan 0.000 0.427 267 V N 3.257 123.047 119.914 -0.206 0.000 2.535 267 V HA 0.203 4.323 4.120 -0.000 0.000 0.246 267 V C 0.531 176.524 176.094 -0.169 0.000 1.045 267 V CA 1.408 63.640 62.300 -0.113 0.000 1.058 267 V CB 0.097 31.907 31.823 -0.021 0.000 0.689 267 V HN 0.845 nan 8.190 nan 0.000 0.461 268 A N -0.522 122.164 122.820 -0.223 0.000 2.594 268 A HA 0.809 5.129 4.320 -0.000 0.000 0.291 268 A C -0.623 176.829 177.584 -0.221 0.000 1.105 268 A CA 0.103 52.027 52.037 -0.188 0.000 0.694 268 A CB 1.887 20.803 19.000 -0.141 0.000 1.291 268 A HN 0.342 nan 8.150 nan 0.000 0.410 269 S N -0.836 114.764 115.700 -0.166 0.000 2.588 269 S HA 0.918 5.388 4.470 -0.000 0.000 0.275 269 S C -0.419 174.120 174.600 -0.103 0.000 1.130 269 S CA -0.284 57.824 58.200 -0.153 0.000 0.855 269 S CB 1.754 64.861 63.200 -0.154 0.000 1.116 269 S HN 2.329 nan 8.310 nan 0.000 0.472 270 G N 0.856 109.605 108.800 -0.085 0.000 2.635 270 G HA2 0.542 4.502 3.960 -0.000 0.000 0.295 270 G HA3 0.542 4.502 3.960 -0.000 0.000 0.295 270 G C -1.272 173.600 174.900 -0.047 0.000 1.359 270 G CA -0.552 44.509 45.100 -0.065 0.000 1.232 270 G HN 0.749 nan 8.290 nan 0.000 0.597 271 T N 0.517 115.052 114.554 -0.032 0.000 2.829 271 T HA 0.888 5.238 4.350 -0.000 0.000 0.280 271 T C 0.001 174.680 174.700 -0.035 0.000 0.999 271 T CA -0.054 62.042 62.100 -0.007 0.000 0.983 271 T CB 1.891 70.786 68.868 0.045 0.000 0.968 271 T HN 1.580 nan 8.240 nan 0.000 0.446 272 A N 3.728 126.515 122.820 -0.055 0.000 2.612 272 A HA 0.909 5.229 4.320 -0.000 0.000 0.293 272 A C -3.179 174.330 177.584 -0.126 0.000 1.075 272 A CA -1.627 50.354 52.037 -0.094 0.000 0.680 272 A CB 1.604 20.524 19.000 -0.133 0.000 1.279 272 A HN 0.535 nan 8.150 nan 0.000 0.411 273 P HA 0.612 nan 4.420 nan 0.000 0.292 273 P C -0.758 176.480 177.300 -0.103 0.000 1.300 273 P CA -0.544 62.520 63.100 -0.061 0.000 0.900 273 P CB 0.579 32.268 31.700 -0.017 0.000 1.139 274 F N 1.149 121.052 119.950 -0.079 0.000 2.628 274 F HA 0.365 4.892 4.527 -0.000 0.000 0.362 274 F C 1.602 177.378 175.800 -0.040 0.000 1.148 274 F CA 2.151 60.114 58.000 -0.061 0.000 1.352 274 F CB -0.247 38.708 39.000 -0.074 0.000 1.081 274 F HN 0.610 nan 8.300 nan 0.000 0.605 275 G N 1.785 110.649 108.800 0.107 0.000 2.952 275 G HA2 0.428 4.388 3.960 -0.000 0.000 0.431 275 G HA3 0.428 4.388 3.960 -0.000 0.000 0.431 275 G C -0.730 174.186 174.900 0.028 0.000 1.325 275 G CA -0.704 44.446 45.100 0.082 0.000 1.146 275 G HN 1.036 nan 8.290 nan 0.000 0.581 276 G N 0.631 109.468 108.800 0.062 0.000 2.509 276 G HA2 0.800 4.760 3.960 -0.000 0.000 0.328 276 G HA3 0.800 4.760 3.960 -0.000 0.000 0.328 276 G C 0.237 175.160 174.900 0.039 0.000 1.194 276 G CA -0.365 44.762 45.100 0.045 0.000 0.967 276 G HN 0.948 nan 8.290 nan 0.000 0.488 277 E N -0.557 119.658 120.200 0.025 0.000 2.458 277 E HA 0.055 4.405 4.350 -0.000 0.000 0.264 277 E C -0.527 176.082 176.600 0.014 0.000 1.097 277 E CA -0.223 56.185 56.400 0.013 0.000 0.973 277 E CB 0.550 30.252 29.700 0.004 0.000 0.963 277 E HN 0.198 nan 8.360 nan 0.000 0.451 278 I N 1.981 122.548 120.570 -0.004 0.000 2.556 278 I HA -0.062 4.108 4.170 -0.000 0.000 0.284 278 I C 1.156 177.265 176.117 -0.013 0.000 1.114 278 I CA 0.329 61.618 61.300 -0.019 0.000 1.418 278 I CB 0.276 38.263 38.000 -0.022 0.000 1.394 278 I HN 0.607 nan 8.210 nan 0.000 0.552 279 I N 1.824 122.379 120.570 -0.025 0.000 4.471 279 I HA 0.331 4.501 4.170 -0.000 0.000 0.326 279 I C -0.422 175.682 176.117 -0.021 0.000 1.300 279 I CA 0.331 61.625 61.300 -0.010 0.000 1.237 279 I CB 0.363 38.376 38.000 0.022 0.000 1.195 279 I HN 0.681 nan 8.210 nan 0.000 0.427 280 D N 0.277 120.653 120.400 -0.040 0.000 2.946 280 D HA 0.162 4.802 4.640 -0.000 0.000 0.337 280 D C 0.452 176.729 176.300 -0.039 0.000 1.332 280 D CA -0.292 53.688 54.000 -0.035 0.000 0.935 280 D CB 0.626 41.408 40.800 -0.030 0.000 1.440 280 D HN -0.180 nan 8.370 nan 0.000 0.540 281 E N -0.520 119.661 120.200 -0.033 0.000 2.097 281 E HA -0.134 4.216 4.350 -0.000 0.000 0.196 281 E C 1.499 178.075 176.600 -0.041 0.000 1.000 281 E CA 1.547 57.928 56.400 -0.032 0.000 0.804 281 E CB -0.161 29.524 29.700 -0.025 0.000 0.740 281 E HN 0.330 nan 8.360 nan 0.000 0.454 282 R N 0.096 120.564 120.500 -0.053 0.000 2.319 282 R HA 0.276 4.616 4.340 -0.000 0.000 0.204 282 R C 0.914 177.165 176.300 -0.081 0.000 0.954 282 R CA 0.583 56.644 56.100 -0.064 0.000 1.066 282 R CB 0.247 30.506 30.300 -0.067 0.000 0.991 282 R HN 0.213 nan 8.270 nan 0.000 0.486 283 G N -0.057 108.696 108.800 -0.079 0.000 2.594 283 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.217 283 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.217 283 G C -0.226 174.609 174.900 -0.109 0.000 1.163 283 G CA -0.643 44.407 45.100 -0.082 0.000 1.074 283 G HN 0.518 nan 8.290 nan 0.000 0.589 284 G N -1.979 106.743 108.800 -0.130 0.000 2.975 284 G HA2 0.661 4.621 3.960 -0.000 0.000 0.291 284 G HA3 0.661 4.621 3.960 -0.000 0.000 0.291 284 G C -1.685 173.070 174.900 -0.241 0.000 1.334 284 G CA -0.646 44.368 45.100 -0.143 0.000 0.843 284 G HN 0.795 nan 8.290 nan 0.000 0.548 285 Y N 0.726 121.032 120.300 0.009 0.000 2.350 285 Y HA 0.470 5.020 4.550 -0.000 0.000 0.340 285 Y C 1.386 177.313 175.900 0.045 0.000 1.006 285 Y CA 0.272 58.386 58.100 0.024 0.000 1.166 285 Y CB 1.937 40.414 38.460 0.028 0.000 1.168 285 Y HN 0.577 nan 8.280 nan 0.000 0.502 286 A N 1.944 124.858 122.820 0.156 0.000 1.898 286 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 286 A C 1.514 179.234 177.584 0.227 0.000 1.183 286 A CA 1.478 53.594 52.037 0.131 0.000 0.622 286 A CB -0.352 18.679 19.000 0.052 0.000 0.824 286 A HN 0.816 nan 8.150 nan 0.000 0.444 287 D N -0.466 120.060 120.400 0.211 0.000 2.323 287 D HA 0.059 4.699 4.640 -0.000 0.000 0.239 287 D C 0.620 177.207 176.300 0.478 0.000 1.129 287 D CA 0.059 54.167 54.000 0.180 0.000 0.865 287 D CB -0.135 40.675 40.800 0.018 0.000 0.913 287 D HN 0.396 nan 8.370 nan 0.000 0.517 288 R N -0.791 119.971 120.500 0.437 0.000 2.930 288 R HA 0.752 5.092 4.340 -0.000 0.000 0.257 288 R C -1.371 174.890 176.300 -0.064 0.000 1.107 288 R CA -1.269 54.935 56.100 0.173 0.000 0.999 288 R CB 2.920 33.224 30.300 0.006 0.000 1.209 288 R HN -0.023 nan 8.270 nan 0.000 0.486 289 V N 0.330 120.103 119.914 -0.236 0.000 2.809 289 V HA 0.256 4.376 4.120 -0.000 0.000 0.290 289 V C -1.579 174.385 176.094 -0.218 0.000 1.305 289 V CA -0.317 61.800 62.300 -0.306 0.000 0.939 289 V CB 2.286 33.744 31.823 -0.608 0.000 1.081 289 V HN 0.787 nan 8.190 nan 0.000 0.439 290 T N 8.288 122.755 114.554 -0.144 0.000 2.749 290 T HA 0.701 5.051 4.350 -0.000 0.000 0.287 290 T C -0.391 174.248 174.700 -0.102 0.000 0.970 290 T CA -0.137 61.897 62.100 -0.110 0.000 0.980 290 T CB 0.971 69.792 68.868 -0.078 0.000 0.924 290 T HN 0.516 nan 8.240 nan 0.000 0.456 291 L N 3.346 124.513 121.223 -0.094 0.000 2.375 291 L HA 0.637 4.977 4.340 -0.000 0.000 0.268 291 L C 0.691 177.521 176.870 -0.066 0.000 1.058 291 L CA -0.509 54.282 54.840 -0.081 0.000 0.803 291 L CB 0.883 42.894 42.059 -0.080 0.000 1.212 291 L HN 0.403 nan 8.230 nan 0.000 0.451 292 R N 2.443 122.904 120.500 -0.064 0.000 2.539 292 R HA 0.512 4.852 4.340 -0.000 0.000 0.295 292 R C -1.674 174.590 176.300 -0.061 0.000 1.138 292 R CA -0.556 55.506 56.100 -0.062 0.000 0.936 292 R CB 1.208 31.471 30.300 -0.061 0.000 1.182 292 R HN 0.466 nan 8.270 nan 0.000 0.459 293 L N 2.224 123.412 121.223 -0.058 0.000 2.325 293 L HA 0.472 4.812 4.340 -0.000 0.000 0.279 293 L C 0.121 176.957 176.870 -0.057 0.000 1.054 293 L CA -1.069 53.736 54.840 -0.060 0.000 0.804 293 L CB 0.951 42.973 42.059 -0.062 0.000 1.200 293 L HN 0.306 nan 8.230 nan 0.000 0.436 294 N N 1.707 120.368 118.700 -0.065 0.000 2.421 294 N HA 0.530 5.270 4.740 -0.000 0.000 0.285 294 N C -0.972 174.489 175.510 -0.082 0.000 1.027 294 N CA -0.295 52.716 53.050 -0.065 0.000 0.918 294 N CB 2.386 40.838 38.487 -0.058 0.000 1.152 294 N HN 0.228 nan 8.380 nan 0.000 0.485 295 V N 1.199 121.059 119.914 -0.090 0.000 2.588 295 V HA 0.324 4.444 4.120 -0.000 0.000 0.304 295 V C 0.122 176.158 176.094 -0.097 0.000 1.042 295 V CA -0.869 61.346 62.300 -0.142 0.000 0.877 295 V CB 2.141 33.785 31.823 -0.298 0.000 0.996 295 V HN 0.532 nan 8.190 nan 0.000 0.425 296 E N 3.314 123.469 120.200 -0.075 0.000 2.249 296 E HA 0.330 4.680 4.350 -0.000 0.000 0.280 296 E C -0.236 176.355 176.600 -0.014 0.000 1.016 296 E CA -0.423 55.959 56.400 -0.030 0.000 0.830 296 E CB 0.507 30.197 29.700 -0.017 0.000 1.081 296 E HN 0.710 nan 8.360 nan 0.000 0.395 297 N N 2.786 121.502 118.700 0.026 0.000 2.669 297 N HA -0.131 4.609 4.740 -0.000 0.000 0.266 297 N C -2.493 173.037 175.510 0.033 0.000 1.024 297 N CA 0.339 53.419 53.050 0.049 0.000 0.766 297 N CB -1.138 37.374 38.487 0.040 0.000 0.898 297 N HN 0.369 nan 8.380 nan 0.000 0.548 298 P HA 0.128 nan 4.420 nan 0.000 0.274 298 P C -0.042 177.304 177.300 0.076 0.000 1.246 298 P CA 0.015 63.062 63.100 -0.089 0.000 0.795 298 P CB 0.980 32.489 31.700 -0.318 0.000 1.006 299 K N 1.542 122.054 120.400 0.186 0.000 2.264 299 K HA 0.337 4.657 4.320 -0.000 0.000 0.277 299 K C 0.187 176.915 176.600 0.213 0.000 1.067 299 K CA -0.498 55.871 56.287 0.137 0.000 0.900 299 K CB 0.281 32.791 32.500 0.017 0.000 1.124 299 K HN 0.397 nan 8.250 nan 0.000 0.469 300 L N 1.867 123.170 121.223 0.134 0.000 2.476 300 L HA 0.233 4.573 4.340 -0.000 0.000 0.264 300 L C 0.094 177.061 176.870 0.163 0.000 1.224 300 L CA -0.443 54.484 54.840 0.144 0.000 0.821 300 L CB 0.209 42.194 42.059 -0.123 0.000 1.101 300 L HN 0.611 nan 8.230 nan 0.000 0.488 301 W N 1.258 122.551 121.300 -0.011 0.000 2.573 301 W HA 0.513 5.173 4.660 -0.000 0.000 0.326 301 W C -0.626 175.829 176.519 -0.107 0.000 1.049 301 W CA -0.077 57.261 57.345 -0.013 0.000 1.220 301 W CB 1.585 31.096 29.460 0.083 0.000 1.373 301 W HN 0.577 nan 8.180 nan 0.000 0.507 302 S N 2.785 118.136 115.700 -0.582 0.000 2.596 302 S HA 0.600 5.070 4.470 -0.000 0.000 0.270 302 S C 0.087 174.044 174.600 -1.070 0.000 1.155 302 S CA -0.406 57.490 58.200 -0.507 0.000 0.827 302 S CB 1.355 64.454 63.200 -0.168 0.000 1.130 302 S HN 0.815 nan 8.310 nan 0.000 0.467 303 A N 0.287 122.620 122.820 -0.811 0.000 2.121 303 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 303 A C 1.610 178.873 177.584 -0.534 0.000 1.154 303 A CA 1.231 52.704 52.037 -0.940 0.000 0.679 303 A CB -0.719 17.533 19.000 -1.247 0.000 0.795 303 A HN 0.854 nan 8.150 nan 0.000 0.458 304 E N -0.789 119.227 120.200 -0.306 0.000 2.170 304 E HA 0.110 4.460 4.350 -0.000 0.000 0.191 304 E C -0.287 176.181 176.600 -0.220 0.000 0.981 304 E CA 0.654 56.928 56.400 -0.210 0.000 0.830 304 E CB 0.094 29.768 29.700 -0.044 0.000 0.775 304 E HN 0.640 nan 8.360 nan 0.000 0.470 305 I N 1.190 121.592 120.570 -0.279 0.000 2.602 305 I HA 0.137 4.307 4.170 -0.000 0.000 0.274 305 I C -2.680 173.205 176.117 -0.387 0.000 1.191 305 I CA -1.649 59.510 61.300 -0.235 0.000 1.068 305 I CB 2.031 39.952 38.000 -0.133 0.000 1.274 305 I HN -0.248 nan 8.210 nan 0.000 0.485 306 P HA 0.097 nan 4.420 nan 0.000 0.226 306 P C -0.473 176.788 177.300 -0.065 0.000 1.783 306 P CA -0.015 62.727 63.100 -0.597 0.000 0.980 306 P CB -0.226 31.273 31.700 -0.335 0.000 1.967 307 N N 1.809 120.514 118.700 0.008 0.000 2.492 307 N HA 0.213 4.953 4.740 -0.000 0.000 0.260 307 N C 0.126 175.798 175.510 0.270 0.000 1.215 307 N CA 0.269 53.370 53.050 0.085 0.000 0.923 307 N CB 0.992 39.495 38.487 0.026 0.000 1.092 307 N HN 0.250 nan 8.380 nan 0.000 0.448 308 L N 1.633 122.925 121.223 0.116 0.000 2.359 308 L HA 0.519 4.859 4.340 -0.000 0.000 0.256 308 L C -1.178 175.675 176.870 -0.028 0.000 1.026 308 L CA -0.877 54.067 54.840 0.173 0.000 0.828 308 L CB 1.495 43.663 42.059 0.182 0.000 1.406 308 L HN 0.415 nan 8.230 nan 0.000 0.413 309 Y N -0.315 120.118 120.300 0.222 0.000 2.576 309 Y HA 0.606 5.156 4.550 -0.000 0.000 0.346 309 Y C -0.354 175.664 175.900 0.196 0.000 1.018 309 Y CA -0.799 57.430 58.100 0.215 0.000 1.050 309 Y CB 2.219 40.846 38.460 0.278 0.000 1.280 309 Y HN 0.387 nan 8.280 nan 0.000 0.474 310 R N 1.386 122.111 120.500 0.375 0.000 2.407 310 R HA 0.849 5.189 4.340 -0.000 0.000 0.303 310 R C -1.530 174.957 176.300 0.311 0.000 0.981 310 R CA -0.455 55.807 56.100 0.270 0.000 0.905 310 R CB 1.081 31.470 30.300 0.149 0.000 1.099 310 R HN 0.752 nan 8.270 nan 0.000 0.459 311 A N 3.707 126.667 122.820 0.235 0.000 2.343 311 A HA 0.599 4.919 4.320 -0.000 0.000 0.308 311 A C -1.368 176.313 177.584 0.162 0.000 1.092 311 A CA -0.687 51.480 52.037 0.216 0.000 0.751 311 A CB 1.457 20.573 19.000 0.193 0.000 1.203 311 A HN 0.472 nan 8.150 nan 0.000 0.452 312 V N 2.800 122.801 119.914 0.145 0.000 2.495 312 V HA 0.449 4.569 4.120 -0.000 0.000 0.298 312 V C -0.283 175.808 176.094 -0.005 0.000 1.031 312 V CA -0.605 61.720 62.300 0.043 0.000 0.871 312 V CB 1.659 33.507 31.823 0.041 0.000 0.988 312 V HN 0.626 nan 8.190 nan 0.000 0.432 313 V N 3.945 123.805 119.914 -0.090 0.000 2.294 313 V HA 0.370 4.490 4.120 -0.000 0.000 0.272 313 V C 0.117 176.137 176.094 -0.123 0.000 1.027 313 V CA -0.606 61.604 62.300 -0.150 0.000 0.823 313 V CB 0.757 32.369 31.823 -0.351 0.000 1.030 313 V HN 0.911 nan 8.190 nan 0.000 0.457 314 E N 3.516 123.663 120.200 -0.089 0.000 2.259 314 E HA 0.387 4.737 4.350 -0.000 0.000 0.281 314 E C -0.679 175.937 176.600 0.025 0.000 1.027 314 E CA -0.644 55.705 56.400 -0.085 0.000 0.838 314 E CB 1.719 31.293 29.700 -0.211 0.000 1.066 314 E HN 0.491 nan 8.360 nan 0.000 0.401 315 L N 6.370 127.637 121.223 0.074 0.000 2.371 315 L HA 0.239 4.579 4.340 -0.000 0.000 0.262 315 L C -0.921 176.102 176.870 0.255 0.000 1.054 315 L CA -0.256 54.680 54.840 0.160 0.000 0.924 315 L CB -0.408 41.676 42.059 0.042 0.000 1.295 315 L HN 0.575 nan 8.230 nan 0.000 0.441 316 H N 0.947 120.028 119.070 0.019 0.000 3.160 316 H HA 0.791 5.347 4.556 -0.000 0.000 0.297 316 H C -0.714 174.645 175.328 0.052 0.000 1.605 316 H CA -0.438 55.630 56.048 0.033 0.000 1.418 316 H CB 0.466 30.248 29.762 0.034 0.000 1.846 316 H HN 0.319 nan 8.280 nan 0.000 0.754 317 T N -3.368 111.176 114.554 -0.018 0.000 2.856 317 T HA 0.574 4.924 4.350 -0.000 0.000 0.283 317 T C 1.353 176.024 174.700 -0.048 0.000 1.008 317 T CA -0.248 61.859 62.100 0.012 0.000 0.997 317 T CB 1.853 70.855 68.868 0.223 0.000 0.992 317 T HN 0.824 nan 8.240 nan 0.000 0.454 318 A N 2.876 125.691 122.820 -0.008 0.000 1.935 318 A HA -0.318 4.002 4.320 -0.000 0.000 0.224 318 A C 2.061 179.666 177.584 0.034 0.000 1.324 318 A CA 2.716 54.748 52.037 -0.009 0.000 0.686 318 A CB -1.380 17.651 19.000 0.051 0.000 0.837 318 A HN 1.047 nan 8.150 nan 0.000 0.481 319 D N -2.457 117.977 120.400 0.057 0.000 2.182 319 D HA 0.074 4.714 4.640 -0.000 0.000 0.201 319 D C 1.395 177.750 176.300 0.093 0.000 0.986 319 D CA 1.862 55.897 54.000 0.058 0.000 0.847 319 D CB -0.449 40.374 40.800 0.039 0.000 0.942 319 D HN 1.121 nan 8.370 nan 0.000 0.467 320 G N -0.337 108.551 108.800 0.148 0.000 2.421 320 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.188 320 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.188 320 G C 0.378 175.401 174.900 0.204 0.000 1.001 320 G CA 0.099 45.335 45.100 0.227 0.000 0.693 320 G HN 0.326 nan 8.290 nan 0.000 0.479 321 T N 2.669 117.311 114.554 0.147 0.000 2.666 321 T HA 0.265 4.615 4.350 -0.000 0.000 0.265 321 T C 0.748 175.545 174.700 0.162 0.000 1.009 321 T CA 0.339 62.513 62.100 0.124 0.000 1.238 321 T CB 0.533 69.458 68.868 0.095 0.000 0.969 321 T HN 0.504 nan 8.240 nan 0.000 0.515 322 L N 4.430 125.728 121.223 0.125 0.000 2.456 322 L HA 0.234 4.574 4.340 -0.000 0.000 0.272 322 L C 0.865 177.792 176.870 0.095 0.000 1.189 322 L CA 0.124 55.033 54.840 0.114 0.000 0.846 322 L CB 0.383 42.471 42.059 0.048 0.000 1.111 322 L HN 0.683 nan 8.230 nan 0.000 0.475 323 I N 2.172 122.796 120.570 0.090 0.000 3.883 323 I HA 0.271 4.441 4.170 -0.000 0.000 0.305 323 I C 0.204 176.334 176.117 0.022 0.000 1.247 323 I CA 0.162 61.493 61.300 0.051 0.000 1.350 323 I CB 0.509 38.534 38.000 0.042 0.000 1.194 323 I HN 0.636 nan 8.210 nan 0.000 0.441 324 E N 0.241 120.456 120.200 0.025 0.000 2.389 324 E HA 0.634 4.984 4.350 -0.000 0.000 0.281 324 E C -1.903 174.709 176.600 0.019 0.000 1.072 324 E CA -0.589 55.817 56.400 0.009 0.000 0.845 324 E CB 1.929 31.598 29.700 -0.052 0.000 1.239 324 E HN 0.028 nan 8.360 nan 0.000 0.434 325 A N 2.856 125.722 122.820 0.076 0.000 2.435 325 A HA 0.804 5.124 4.320 -0.000 0.000 0.304 325 A C -1.202 176.506 177.584 0.207 0.000 1.064 325 A CA -0.593 51.498 52.037 0.090 0.000 0.727 325 A CB 1.842 20.882 19.000 0.066 0.000 1.284 325 A HN 0.443 nan 8.150 nan 0.000 0.415 326 E N -0.459 119.800 120.200 0.098 0.000 2.390 326 E HA 0.739 5.089 4.350 -0.000 0.000 0.277 326 E C -0.638 176.015 176.600 0.088 0.000 0.939 326 E CA -0.438 56.083 56.400 0.202 0.000 0.769 326 E CB 2.456 32.135 29.700 -0.035 0.000 1.251 326 E HN 1.093 nan 8.360 nan 0.000 0.450 327 A N 0.231 123.225 122.820 0.291 0.000 2.533 327 A HA 0.911 5.231 4.320 -0.000 0.000 0.293 327 A C -1.018 176.786 177.584 0.366 0.000 1.228 327 A CA -0.173 51.980 52.037 0.193 0.000 0.689 327 A CB 1.286 20.230 19.000 -0.094 0.000 1.303 327 A HN 1.006 nan 8.150 nan 0.000 0.444 328 C N -0.886 118.572 119.300 0.263 0.000 3.176 328 C HA 0.652 5.112 4.460 -0.000 0.000 0.343 328 C C -2.154 172.942 174.990 0.176 0.000 1.332 328 C CA -0.892 58.266 59.018 0.235 0.000 1.200 328 C CB 0.686 28.567 27.740 0.236 0.000 1.440 328 C HN 0.845 nan 8.230 nan 0.000 0.458 329 D N 1.360 121.847 120.400 0.145 0.000 2.177 329 D HA 0.539 5.179 4.640 -0.000 0.000 0.247 329 D C -0.586 175.794 176.300 0.133 0.000 1.063 329 D CA 0.012 54.104 54.000 0.153 0.000 0.867 329 D CB 2.186 43.073 40.800 0.145 0.000 1.168 329 D HN 0.546 nan 8.370 nan 0.000 0.445 330 V N 1.497 121.540 119.914 0.215 0.000 2.384 330 V HA 0.547 4.667 4.120 -0.000 0.000 0.287 330 V C 0.588 176.882 176.094 0.333 0.000 1.020 330 V CA -0.651 61.771 62.300 0.203 0.000 0.850 330 V CB 1.747 33.722 31.823 0.254 0.000 0.987 330 V HN 0.633 nan 8.190 nan 0.000 0.436 331 G N 3.777 112.650 108.800 0.121 0.000 2.422 331 G HA2 0.604 4.564 3.960 -0.000 0.000 0.317 331 G HA3 0.604 4.564 3.960 -0.000 0.000 0.317 331 G C -1.038 173.967 174.900 0.175 0.000 1.210 331 G CA -0.355 44.853 45.100 0.181 0.000 0.930 331 G HN 0.436 nan 8.290 nan 0.000 0.468 332 F N 2.481 122.619 119.950 0.314 0.000 2.368 332 F HA 0.507 5.034 4.527 -0.000 0.000 0.362 332 F C 0.970 176.994 175.800 0.374 0.000 1.137 332 F CA -0.509 57.724 58.000 0.388 0.000 1.161 332 F CB 0.902 40.177 39.000 0.457 0.000 1.265 332 F HN 0.579 nan 8.300 nan 0.000 0.530 333 R N 0.849 121.583 120.500 0.390 0.000 2.734 333 R HA 0.610 4.950 4.340 -0.000 0.000 0.271 333 R C -1.606 174.798 176.300 0.174 0.000 1.021 333 R CA -1.100 55.098 56.100 0.163 0.000 0.893 333 R CB 1.813 32.222 30.300 0.182 0.000 1.244 333 R HN 0.366 nan 8.270 nan 0.000 0.464 334 E N 1.720 121.931 120.200 0.018 0.000 2.218 334 E HA 0.350 4.700 4.350 -0.000 0.000 0.263 334 E C -1.376 175.260 176.600 0.059 0.000 0.879 334 E CA -0.912 55.562 56.400 0.124 0.000 0.762 334 E CB 2.212 32.023 29.700 0.186 0.000 1.166 334 E HN 0.443 nan 8.360 nan 0.000 0.415 335 V N 5.662 125.609 119.914 0.055 0.000 2.333 335 V HA 0.484 4.603 4.120 -0.000 0.000 0.274 335 V C 0.044 176.158 176.094 0.033 0.000 1.028 335 V CA -0.423 61.888 62.300 0.018 0.000 0.851 335 V CB 1.022 32.843 31.823 -0.004 0.000 1.000 335 V HN 0.592 nan 8.190 nan 0.000 0.456 336 R N 4.336 124.855 120.500 0.033 0.000 2.744 336 R HA 0.656 4.996 4.340 -0.000 0.000 0.279 336 R C -1.175 175.139 176.300 0.023 0.000 0.977 336 R CA -0.854 55.269 56.100 0.038 0.000 0.906 336 R CB 2.836 33.171 30.300 0.059 0.000 1.197 336 R HN 0.553 nan 8.270 nan 0.000 0.463 337 I N 1.877 122.461 120.570 0.025 0.000 2.337 337 I HA 0.203 4.373 4.170 -0.000 0.000 0.285 337 I C -0.257 175.873 176.117 0.020 0.000 1.041 337 I CA -0.010 61.300 61.300 0.017 0.000 1.199 337 I CB 1.161 39.173 38.000 0.021 0.000 1.370 337 I HN 0.490 nan 8.210 nan 0.000 0.470 338 E N 7.036 127.245 120.200 0.017 0.000 2.267 338 E HA 0.177 4.527 4.350 -0.000 0.000 0.248 338 E C -0.679 175.928 176.600 0.011 0.000 0.899 338 E CA -0.524 55.887 56.400 0.018 0.000 0.764 338 E CB 0.674 30.390 29.700 0.026 0.000 1.227 338 E HN 0.544 nan 8.360 nan 0.000 0.421 339 N N 3.474 122.180 118.700 0.010 0.000 2.688 339 N HA -0.186 4.554 4.740 -0.000 0.000 0.261 339 N C 0.424 175.934 175.510 0.000 0.000 1.116 339 N CA 1.505 54.558 53.050 0.006 0.000 0.689 339 N CB -1.275 37.215 38.487 0.005 0.000 0.882 339 N HN 0.960 nan 8.380 nan 0.000 0.554 340 G N -1.022 107.778 108.800 -0.000 0.000 2.220 340 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.269 340 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.269 340 G C 0.144 175.034 174.900 -0.018 0.000 0.977 340 G CA 0.948 46.043 45.100 -0.008 0.000 0.634 340 G HN 0.558 nan 8.290 nan 0.000 0.539 341 L N -0.431 120.783 121.223 -0.015 0.000 2.319 341 L HA 0.787 5.127 4.340 -0.000 0.000 0.267 341 L C -0.016 176.840 176.870 -0.023 0.000 1.011 341 L CA -1.383 53.441 54.840 -0.026 0.000 0.818 341 L CB 1.810 43.854 42.059 -0.025 0.000 1.316 341 L HN 0.108 nan 8.230 nan 0.000 0.432 342 L N 3.541 124.740 121.223 -0.039 0.000 2.262 342 L HA 0.530 4.870 4.340 -0.000 0.000 0.288 342 L C -0.991 175.855 176.870 -0.040 0.000 1.035 342 L CA -0.146 54.672 54.840 -0.037 0.000 0.820 342 L CB 0.788 42.817 42.059 -0.050 0.000 1.204 342 L HN 0.376 nan 8.230 nan 0.000 0.424 343 L N 3.903 125.116 121.223 -0.017 0.000 2.325 343 L HA 0.677 5.017 4.340 -0.000 0.000 0.278 343 L C -0.610 176.256 176.870 -0.006 0.000 1.023 343 L CA -0.798 54.038 54.840 -0.008 0.000 0.811 343 L CB 1.437 43.507 42.059 0.018 0.000 1.249 343 L HN 0.576 nan 8.230 nan 0.000 0.431 344 L N 3.202 124.425 121.223 0.001 0.000 2.296 344 L HA 0.544 4.884 4.340 -0.000 0.000 0.286 344 L C -0.240 176.632 176.870 0.003 0.000 1.023 344 L CA -0.018 54.823 54.840 0.002 0.000 0.812 344 L CB 0.836 42.883 42.059 -0.020 0.000 1.223 344 L HN 0.742 nan 8.230 nan 0.000 0.421 345 N N 4.033 122.631 118.700 -0.170 0.000 2.701 345 N HA -0.238 4.502 4.740 -0.000 0.000 0.252 345 N C 0.897 176.196 175.510 -0.352 0.000 1.002 345 N CA 1.260 53.989 53.050 -0.534 0.000 0.758 345 N CB -1.557 36.381 38.487 -0.915 0.000 0.937 345 N HN 1.119 nan 8.380 nan 0.000 0.538 346 G N -2.325 106.458 108.800 -0.028 0.000 2.179 346 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.260 346 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.260 346 G C -0.096 174.838 174.900 0.056 0.000 0.977 346 G CA 0.817 45.965 45.100 0.080 0.000 0.641 346 G HN 0.531 nan 8.290 nan 0.000 0.533 347 K N 0.324 120.758 120.400 0.057 0.000 2.267 347 K HA 0.563 4.883 4.320 -0.000 0.000 0.246 347 K C -3.091 173.500 176.600 -0.015 0.000 0.954 347 K CA -2.199 54.094 56.287 0.009 0.000 0.824 347 K CB 2.395 34.862 32.500 -0.055 0.000 1.167 347 K HN -0.038 nan 8.250 nan 0.000 0.431 348 P HA 0.201 nan 4.420 nan 0.000 0.281 348 P C -0.090 177.163 177.300 -0.078 0.000 1.286 348 P CA -0.250 62.817 63.100 -0.055 0.000 0.772 348 P CB 0.385 32.053 31.700 -0.053 0.000 0.862 349 L N 3.841 125.013 121.223 -0.084 0.000 2.456 349 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 349 L C 0.489 177.299 176.870 -0.099 0.000 1.189 349 L CA -0.337 54.446 54.840 -0.096 0.000 0.846 349 L CB 0.479 42.451 42.059 -0.146 0.000 1.111 349 L HN 0.269 nan 8.230 nan 0.000 0.475 350 L N 5.646 126.833 121.223 -0.059 0.000 2.324 350 L HA 0.425 4.765 4.340 -0.000 0.000 0.274 350 L C -0.235 176.619 176.870 -0.026 0.000 1.012 350 L CA -0.041 54.751 54.840 -0.080 0.000 0.859 350 L CB 0.866 42.927 42.059 0.003 0.000 1.224 350 L HN 0.317 nan 8.230 nan 0.000 0.429 351 I N 5.120 125.598 120.570 -0.152 0.000 2.363 351 I HA 0.208 4.378 4.170 -0.000 0.000 0.292 351 I C 0.485 176.563 176.117 -0.066 0.000 1.075 351 I CA 0.097 61.330 61.300 -0.112 0.000 1.333 351 I CB 0.293 38.180 38.000 -0.189 0.000 1.415 351 I HN 0.472 nan 8.210 nan 0.000 0.502 352 R N 5.411 125.991 120.500 0.133 0.000 3.570 352 R HA 0.381 4.721 4.340 -0.000 0.000 0.233 352 R C 0.308 176.732 176.300 0.206 0.000 1.492 352 R CA -0.324 55.920 56.100 0.239 0.000 1.504 352 R CB 0.563 30.889 30.300 0.042 0.000 1.314 352 R HN 0.769 nan 8.270 nan 0.000 0.687 353 G N -0.229 108.588 108.800 0.028 0.000 2.788 353 G HA2 0.617 4.577 3.960 -0.000 0.000 0.293 353 G HA3 0.617 4.577 3.960 -0.000 0.000 0.293 353 G C -1.470 173.652 174.900 0.371 0.000 1.305 353 G CA -0.456 44.705 45.100 0.102 0.000 1.005 353 G HN 0.190 nan 8.290 nan 0.000 0.496 354 V N -0.264 119.886 119.914 0.393 0.000 2.971 354 V HA 0.477 4.597 4.120 -0.000 0.000 0.309 354 V C -0.660 175.618 176.094 0.307 0.000 1.130 354 V CA -1.152 61.324 62.300 0.293 0.000 0.964 354 V CB 2.097 33.852 31.823 -0.115 0.000 1.029 354 V HN 0.799 nan 8.190 nan 0.000 0.427 355 N N 3.566 122.424 118.700 0.265 0.000 2.354 355 N HA 0.464 5.204 4.740 -0.000 0.000 0.246 355 N C -0.487 174.958 175.510 -0.108 0.000 1.285 355 N CA -0.216 52.915 53.050 0.136 0.000 0.925 355 N CB 0.783 39.449 38.487 0.299 0.000 1.174 355 N HN 0.668 nan 8.380 nan 0.000 0.478 356 R N 1.192 121.575 120.500 -0.195 0.000 3.321 356 R HA 0.106 4.446 4.340 -0.000 0.000 0.285 356 R C -1.457 174.706 176.300 -0.229 0.000 1.149 356 R CA -0.405 55.576 56.100 -0.199 0.000 1.191 356 R CB -0.129 30.030 30.300 -0.235 0.000 1.276 356 R HN 0.678 nan 8.270 nan 0.000 0.429 357 H N 1.397 120.366 119.070 -0.168 0.000 2.509 357 H HA 0.245 4.801 4.556 -0.000 0.000 0.360 357 H C -0.239 175.086 175.328 -0.006 0.000 1.398 357 H CA 0.321 56.348 56.048 -0.035 0.000 1.429 357 H CB 0.911 30.699 29.762 0.043 0.000 1.611 357 H HN 0.418 nan 8.280 nan 0.000 0.606 358 E N 0.786 121.161 120.200 0.291 0.000 2.173 358 E HA 0.150 4.500 4.350 -0.000 0.000 0.249 358 E C -1.150 175.554 176.600 0.173 0.000 0.923 358 E CA -0.188 56.289 56.400 0.130 0.000 0.754 358 E CB 0.788 30.539 29.700 0.086 0.000 1.177 358 E HN 0.447 nan 8.360 nan 0.000 0.430 359 H N 1.180 120.299 119.070 0.080 0.000 2.771 359 H HA 0.274 4.830 4.556 -0.000 0.000 0.361 359 H C -1.476 173.898 175.328 0.076 0.000 1.108 359 H CA -0.619 55.477 56.048 0.079 0.000 1.201 359 H CB 1.275 31.070 29.762 0.056 0.000 1.681 359 H HN 0.353 nan 8.280 nan 0.000 0.534 360 H N 6.081 125.004 119.070 -0.246 0.000 2.689 360 H HA 0.174 4.730 4.556 -0.000 0.000 0.346 360 H C -2.238 172.967 175.328 -0.205 0.000 1.037 360 H CA -2.332 53.656 56.048 -0.099 0.000 1.234 360 H CB 2.666 32.358 29.762 -0.117 0.000 1.572 360 H HN 0.569 nan 8.280 nan 0.000 0.524 361 P HA -0.062 nan 4.420 nan 0.000 0.221 361 P C 1.217 178.543 177.300 0.042 0.000 1.150 361 P CA 0.688 63.863 63.100 0.125 0.000 0.800 361 P CB 0.880 32.576 31.700 -0.007 0.000 0.787 362 L N -1.864 119.457 121.223 0.162 0.000 2.316 362 L HA 0.101 4.441 4.340 -0.000 0.000 0.207 362 L C 2.312 179.177 176.870 -0.009 0.000 1.070 362 L CA 0.729 55.593 54.840 0.040 0.000 0.820 362 L CB -0.560 41.419 42.059 -0.133 0.000 0.992 362 L HN 0.039 nan 8.230 nan 0.000 0.466 363 H N -0.865 118.255 119.070 0.083 0.000 2.592 363 H HA 0.219 4.775 4.556 -0.000 0.000 0.265 363 H C 1.464 176.653 175.328 -0.232 0.000 0.955 363 H CA 0.113 56.021 56.048 -0.233 0.000 1.175 363 H CB 0.568 30.046 29.762 -0.473 0.000 1.433 363 H HN 0.390 nan 8.280 nan 0.000 0.537 364 G N 1.467 110.157 108.800 -0.184 0.000 2.523 364 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.271 364 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.271 364 G C 0.655 175.355 174.900 -0.333 0.000 1.146 364 G CA 0.430 45.316 45.100 -0.357 0.000 0.961 364 G HN 0.425 nan 8.290 nan 0.000 0.549 365 Q N 0.072 119.693 119.800 -0.297 0.000 2.425 365 Q HA 0.409 4.749 4.340 -0.000 0.000 0.204 365 Q C 1.236 177.204 176.000 -0.053 0.000 0.933 365 Q CA 0.400 56.055 55.803 -0.247 0.000 0.939 365 Q CB 0.456 28.908 28.738 -0.477 0.000 1.044 365 Q HN 0.516 nan 8.270 nan 0.000 0.513 366 V N 1.668 121.567 119.914 -0.025 0.000 2.872 366 V HA 0.013 4.133 4.120 -0.000 0.000 0.307 366 V C 0.289 176.406 176.094 0.039 0.000 1.072 366 V CA 0.431 62.764 62.300 0.055 0.000 1.148 366 V CB 0.533 32.334 31.823 -0.036 0.000 0.954 366 V HN 0.298 nan 8.190 nan 0.000 0.490 367 M N 3.429 123.039 119.600 0.016 0.000 2.591 367 M HA 0.570 5.050 4.480 -0.000 0.000 0.306 367 M C -0.927 175.297 176.300 -0.126 0.000 1.190 367 M CA -0.719 54.558 55.300 -0.039 0.000 0.889 367 M CB 1.985 34.538 32.600 -0.078 0.000 1.728 367 M HN 1.022 nan 8.290 nan 0.000 0.458 368 D N -1.675 118.688 120.400 -0.063 0.000 2.596 368 D HA 0.322 4.962 4.640 -0.000 0.000 0.262 368 D C 0.241 176.552 176.300 0.018 0.000 1.210 368 D CA -0.661 53.308 54.000 -0.052 0.000 0.873 368 D CB 1.436 42.242 40.800 0.009 0.000 1.408 368 D HN 0.556 nan 8.370 nan 0.000 0.441 369 E N -0.398 119.828 120.200 0.043 0.000 2.035 369 E HA -0.315 4.035 4.350 -0.000 0.000 0.204 369 E C 1.623 178.303 176.600 0.134 0.000 1.025 369 E CA 1.822 58.283 56.400 0.102 0.000 0.835 369 E CB -0.055 29.709 29.700 0.107 0.000 0.764 369 E HN 0.477 nan 8.360 nan 0.000 0.457 370 Q N -0.302 119.571 119.800 0.121 0.000 1.991 370 Q HA -0.228 4.112 4.340 -0.000 0.000 0.213 370 Q C 2.359 178.449 176.000 0.150 0.000 1.022 370 Q CA 2.491 58.372 55.803 0.130 0.000 0.877 370 Q CB -0.960 27.851 28.738 0.122 0.000 0.970 370 Q HN 0.351 nan 8.270 nan 0.000 0.414 371 T N 1.538 116.191 114.554 0.164 0.000 2.653 371 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 371 T C 1.915 176.738 174.700 0.205 0.000 1.035 371 T CA 1.890 64.099 62.100 0.183 0.000 1.154 371 T CB -0.336 68.657 68.868 0.208 0.000 0.862 371 T HN 0.215 nan 8.240 nan 0.000 0.441 372 M N 0.470 120.201 119.600 0.218 0.000 2.163 372 M HA -0.162 4.318 4.480 -0.000 0.000 0.258 372 M C 2.342 178.844 176.300 0.335 0.000 1.071 372 M CA 1.719 57.230 55.300 0.350 0.000 1.093 372 M CB -0.543 32.260 32.600 0.339 0.000 1.285 372 M HN 0.070 nan 8.290 nan 0.000 0.420 373 V N -0.086 119.967 119.914 0.231 0.000 2.392 373 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 373 V C 2.174 178.328 176.094 0.099 0.000 1.059 373 V CA 1.814 64.206 62.300 0.153 0.000 1.051 373 V CB -0.819 31.100 31.823 0.160 0.000 0.658 373 V HN 0.551 nan 8.190 nan 0.000 0.455 374 Q N -0.172 119.716 119.800 0.146 0.000 1.800 374 Q HA -0.303 4.037 4.340 -0.000 0.000 0.289 374 Q C 2.156 178.269 176.000 0.189 0.000 1.015 374 Q CA 2.373 58.266 55.803 0.148 0.000 0.890 374 Q CB -0.420 28.412 28.738 0.156 0.000 0.958 374 Q HN 0.567 nan 8.270 nan 0.000 0.416 375 D N 0.160 120.734 120.400 0.291 0.000 2.347 375 D HA -0.257 4.383 4.640 -0.000 0.000 0.189 375 D C 1.850 178.244 176.300 0.157 0.000 1.020 375 D CA 1.579 55.820 54.000 0.401 0.000 0.875 375 D CB -0.511 40.501 40.800 0.354 0.000 0.928 375 D HN 0.322 nan 8.370 nan 0.000 0.454 376 I N 0.554 121.186 120.570 0.102 0.000 2.087 376 I HA -0.314 3.856 4.170 -0.000 0.000 0.240 376 I C 2.595 178.659 176.117 -0.088 0.000 1.054 376 I CA 1.033 62.292 61.300 -0.067 0.000 1.311 376 I CB -0.329 37.570 38.000 -0.169 0.000 1.024 376 I HN 0.051 nan 8.210 nan 0.000 0.402 377 L N 0.008 121.185 121.223 -0.078 0.000 2.042 377 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 377 L C 2.601 179.558 176.870 0.145 0.000 1.076 377 L CA 1.308 56.153 54.840 0.008 0.000 0.749 377 L CB -0.735 41.321 42.059 -0.006 0.000 0.893 377 L HN 0.328 nan 8.230 nan 0.000 0.432 378 L N -0.703 120.645 121.223 0.209 0.000 1.971 378 L HA -0.307 4.033 4.340 -0.000 0.000 0.215 378 L C 2.788 179.885 176.870 0.377 0.000 1.072 378 L CA 1.850 56.894 54.840 0.339 0.000 0.758 378 L CB -0.401 41.990 42.059 0.553 0.000 0.889 378 L HN 0.333 nan 8.230 nan 0.000 0.433 379 M N -0.747 118.986 119.600 0.222 0.000 2.108 379 M HA -0.292 4.188 4.480 -0.000 0.000 0.257 379 M C 2.288 178.724 176.300 0.227 0.000 1.071 379 M CA 1.886 57.235 55.300 0.081 0.000 1.093 379 M CB -0.345 32.065 32.600 -0.316 0.000 1.345 379 M HN 0.161 nan 8.290 nan 0.000 0.403 380 K N -0.212 120.233 120.400 0.074 0.000 2.025 380 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 380 K C 1.986 178.649 176.600 0.104 0.000 1.049 380 K CA 1.406 57.634 56.287 -0.098 0.000 0.933 380 K CB -0.302 31.931 32.500 -0.445 0.000 0.714 380 K HN 0.443 nan 8.250 nan 0.000 0.438 381 Q N 0.594 120.605 119.800 0.352 0.000 2.197 381 Q HA -0.113 4.227 4.340 -0.000 0.000 0.207 381 Q C 0.911 177.208 176.000 0.495 0.000 0.984 381 Q CA 1.101 57.185 55.803 0.468 0.000 0.869 381 Q CB 0.019 28.965 28.738 0.346 0.000 0.906 381 Q HN 0.293 nan 8.270 nan 0.000 0.426 382 N N 0.754 119.695 118.700 0.401 0.000 2.295 382 N HA 0.026 4.766 4.740 -0.000 0.000 0.221 382 N C -0.742 174.815 175.510 0.078 0.000 1.129 382 N CA -0.017 53.237 53.050 0.340 0.000 0.836 382 N CB 0.499 39.294 38.487 0.513 0.000 1.040 382 N HN 0.160 nan 8.380 nan 0.000 0.494 383 N N 0.576 119.319 118.700 0.071 0.000 2.725 383 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 383 N C -1.048 174.219 175.510 -0.405 0.000 1.031 383 N CA 0.922 53.870 53.050 -0.171 0.000 0.720 383 N CB -1.735 36.528 38.487 -0.373 0.000 0.930 383 N HN 0.273 nan 8.380 nan 0.000 0.543 384 F N 0.075 120.012 119.950 -0.021 0.000 2.399 384 F HA 0.345 4.872 4.527 -0.000 0.000 0.328 384 F C 1.842 177.635 175.800 -0.012 0.000 1.084 384 F CA -0.551 57.437 58.000 -0.021 0.000 1.053 384 F CB 1.064 40.034 39.000 -0.050 0.000 1.209 384 F HN -0.035 nan 8.300 nan 0.000 0.502 385 N N 0.092 118.933 118.700 0.235 0.000 2.622 385 N HA 0.412 5.152 4.740 -0.000 0.000 0.213 385 N C -0.528 175.054 175.510 0.121 0.000 1.037 385 N CA 0.079 53.224 53.050 0.158 0.000 0.999 385 N CB 0.382 39.014 38.487 0.241 0.000 1.342 385 N HN 0.583 nan 8.380 nan 0.000 0.465 386 A N 0.499 123.470 122.820 0.252 0.000 2.435 386 A HA 0.694 5.014 4.320 -0.000 0.000 0.296 386 A C -1.412 176.406 177.584 0.390 0.000 1.147 386 A CA -0.444 51.809 52.037 0.361 0.000 0.775 386 A CB 1.804 21.118 19.000 0.523 0.000 1.340 386 A HN 0.031 nan 8.150 nan 0.000 0.427 387 V N 0.465 120.629 119.914 0.416 0.000 2.808 387 V HA 0.766 4.886 4.120 -0.000 0.000 0.308 387 V C -0.768 175.468 176.094 0.236 0.000 1.099 387 V CA -0.746 61.757 62.300 0.338 0.000 0.920 387 V CB 1.768 33.733 31.823 0.237 0.000 1.014 387 V HN 1.088 nan 8.190 nan 0.000 0.425 388 R N 5.482 126.020 120.500 0.063 0.000 2.295 388 R HA 0.482 4.822 4.340 -0.000 0.000 0.324 388 R C -0.660 175.598 176.300 -0.071 0.000 0.968 388 R CA -0.465 55.537 56.100 -0.164 0.000 0.837 388 R CB 1.033 31.023 30.300 -0.517 0.000 1.133 388 R HN 0.882 nan 8.270 nan 0.000 0.450 389 C N 4.272 123.545 119.300 -0.046 0.000 3.329 389 C HA 0.105 4.565 4.460 -0.000 0.000 0.537 389 C C 0.603 175.423 174.990 -0.284 0.000 1.034 389 C CA -0.629 58.313 59.018 -0.127 0.000 1.086 389 C CB -2.329 25.430 27.740 0.032 0.000 1.392 389 C HN 0.695 nan 8.230 nan 0.000 0.612 390 S N 1.293 116.771 115.700 -0.370 0.000 2.481 390 S HA 0.158 4.628 4.470 -0.000 0.000 0.282 390 S C -0.184 173.549 174.600 -1.444 0.000 1.243 390 S CA 0.095 57.998 58.200 -0.495 0.000 1.078 390 S CB 0.111 63.068 63.200 -0.406 0.000 0.916 390 S HN 0.721 nan 8.310 nan 0.000 0.495 391 H N 3.575 121.925 119.070 -1.200 0.000 2.439 391 H HA 0.362 4.918 4.556 -0.000 0.000 0.228 391 H C -0.984 174.165 175.328 -0.298 0.000 1.423 391 H CA -0.556 55.207 56.048 -0.475 0.000 1.386 391 H CB -0.309 29.364 29.762 -0.149 0.000 1.641 391 H HN 0.852 nan 8.280 nan 0.000 0.508 392 Y N -2.535 117.863 120.300 0.164 0.000 2.717 392 Y HA 0.431 4.981 4.550 -0.000 0.000 0.345 392 Y C -3.354 172.652 175.900 0.178 0.000 1.187 392 Y CA -3.141 55.062 58.100 0.172 0.000 1.128 392 Y CB 0.001 38.561 38.460 0.166 0.000 1.360 392 Y HN -0.079 nan 8.280 nan 0.000 0.467 393 P HA 0.183 nan 4.420 nan 0.000 0.270 393 P C -0.838 176.750 177.300 0.481 0.000 1.227 393 P CA 0.125 63.489 63.100 0.440 0.000 0.788 393 P CB 0.662 32.546 31.700 0.307 0.000 0.926 394 N N -0.968 118.035 118.700 0.504 0.000 2.381 394 N HA 0.123 4.863 4.740 -0.000 0.000 0.294 394 N C -0.446 175.281 175.510 0.362 0.000 1.216 394 N CA -0.631 52.616 53.050 0.329 0.000 0.803 394 N CB 0.805 39.314 38.487 0.036 0.000 1.372 394 N HN 0.574 nan 8.380 nan 0.000 0.500 395 H N 3.151 122.312 119.070 0.151 0.000 3.243 395 H HA -0.039 4.517 4.556 -0.000 0.000 0.267 395 H C -1.511 173.977 175.328 0.266 0.000 0.875 395 H CA -0.300 55.841 56.048 0.154 0.000 1.413 395 H CB 0.713 30.532 29.762 0.096 0.000 1.459 395 H HN 0.464 nan 8.280 nan 0.000 0.536 396 P HA -0.312 nan 4.420 nan 0.000 0.225 396 P C 1.948 179.473 177.300 0.375 0.000 1.154 396 P CA 1.308 64.550 63.100 0.236 0.000 0.933 396 P CB 0.105 31.780 31.700 -0.040 0.000 0.790 397 L N -1.245 120.236 121.223 0.430 0.000 2.081 397 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 397 L C 2.585 179.647 176.870 0.321 0.000 1.080 397 L CA 1.790 56.889 54.840 0.431 0.000 0.754 397 L CB -1.265 41.100 42.059 0.510 0.000 0.893 397 L HN 0.060 nan 8.230 nan 0.000 0.433 398 W N -0.424 120.940 121.300 0.107 0.000 2.290 398 W HA -0.388 4.272 4.660 -0.000 0.000 0.318 398 W C 2.246 178.613 176.519 -0.253 0.000 1.248 398 W CA 2.179 59.438 57.345 -0.143 0.000 1.263 398 W CB -0.465 28.772 29.460 -0.371 0.000 1.147 398 W HN 0.282 nan 8.180 nan 0.000 0.494 399 Y N 0.567 120.813 120.300 -0.091 0.000 2.165 399 Y HA -0.248 4.302 4.550 -0.000 0.000 0.286 399 Y C 2.833 178.426 175.900 -0.513 0.000 1.155 399 Y CA 2.309 60.106 58.100 -0.505 0.000 1.164 399 Y CB -1.345 36.531 38.460 -0.975 0.000 0.978 399 Y HN -0.197 nan 8.280 nan 0.000 0.513 400 T N 0.629 115.110 114.554 -0.121 0.000 2.833 400 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 400 T C 1.969 176.628 174.700 -0.068 0.000 1.054 400 T CA 1.237 63.336 62.100 -0.002 0.000 1.135 400 T CB -0.512 68.430 68.868 0.122 0.000 0.869 400 T HN 0.215 nan 8.240 nan 0.000 0.466 401 L N 0.618 121.757 121.223 -0.139 0.000 1.988 401 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 401 L C 2.908 179.684 176.870 -0.156 0.000 1.071 401 L CA 1.124 55.877 54.840 -0.145 0.000 0.744 401 L CB -0.959 41.051 42.059 -0.081 0.000 0.893 401 L HN 0.319 nan 8.230 nan 0.000 0.433 402 C N -0.222 118.875 119.300 -0.338 0.000 2.410 402 C HA -0.165 4.295 4.460 -0.000 0.000 0.281 402 C C 2.372 177.398 174.990 0.060 0.000 1.318 402 C CA 0.348 59.241 59.018 -0.210 0.000 1.776 402 C CB -1.029 26.497 27.740 -0.358 0.000 1.942 402 C HN 0.542 nan 8.230 nan 0.000 0.508 403 D N 0.443 120.867 120.400 0.039 0.000 2.097 403 D HA -0.074 4.566 4.640 -0.000 0.000 0.197 403 D C 2.442 178.905 176.300 0.271 0.000 0.984 403 D CA 1.164 55.286 54.000 0.204 0.000 0.826 403 D CB -0.303 40.561 40.800 0.106 0.000 0.973 403 D HN 0.454 nan 8.370 nan 0.000 0.460 404 R N -0.984 119.538 120.500 0.036 0.000 2.093 404 R HA -0.028 4.312 4.340 -0.000 0.000 0.224 404 R C 2.072 178.275 176.300 -0.161 0.000 1.101 404 R CA 0.697 56.740 56.100 -0.093 0.000 0.979 404 R CB -0.115 30.022 30.300 -0.271 0.000 0.877 404 R HN 0.223 nan 8.270 nan 0.000 0.441 405 Y N -0.706 119.598 120.300 0.006 0.000 2.314 405 Y HA 0.231 4.781 4.550 -0.000 0.000 0.294 405 Y C 1.076 176.892 175.900 -0.139 0.000 1.119 405 Y CA 0.907 58.980 58.100 -0.045 0.000 1.179 405 Y CB 0.266 38.681 38.460 -0.076 0.000 1.025 405 Y HN 0.197 nan 8.280 nan 0.000 0.541 406 G N 0.593 109.381 108.800 -0.021 0.000 2.698 406 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.360 406 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.360 406 G C -1.239 173.472 174.900 -0.316 0.000 1.005 406 G CA -0.564 44.363 45.100 -0.289 0.000 1.293 406 G HN 0.146 nan 8.290 nan 0.000 0.590 407 L N 1.648 122.758 121.223 -0.189 0.000 2.516 407 L HA 0.369 4.709 4.340 -0.000 0.000 0.267 407 L C -0.374 176.485 176.870 -0.018 0.000 0.957 407 L CA -1.318 53.398 54.840 -0.205 0.000 0.860 407 L CB 1.658 43.643 42.059 -0.124 0.000 1.265 407 L HN 0.340 nan 8.230 nan 0.000 0.403 408 Y N 2.507 122.945 120.300 0.231 0.000 2.632 408 Y HA 0.179 4.729 4.550 -0.000 0.000 0.329 408 Y C 0.520 176.549 175.900 0.215 0.000 1.174 408 Y CA -0.250 58.011 58.100 0.270 0.000 1.469 408 Y CB 0.262 38.866 38.460 0.241 0.000 1.242 408 Y HN 0.162 nan 8.280 nan 0.000 0.540 409 V N 4.139 124.234 119.914 0.300 0.000 2.630 409 V HA 0.462 4.582 4.120 -0.000 0.000 0.305 409 V C -0.342 175.823 176.094 0.119 0.000 1.046 409 V CA -1.048 61.371 62.300 0.199 0.000 0.934 409 V CB 2.055 33.974 31.823 0.159 0.000 1.003 409 V HN 0.438 nan 8.190 nan 0.000 0.451 410 V N 2.728 122.683 119.914 0.069 0.000 2.305 410 V HA 0.280 4.399 4.120 -0.000 0.000 0.275 410 V C -0.269 175.843 176.094 0.031 0.000 1.020 410 V CA -0.540 61.743 62.300 -0.028 0.000 0.811 410 V CB 1.214 32.936 31.823 -0.168 0.000 1.031 410 V HN 0.885 nan 8.190 nan 0.000 0.439 411 D N 3.829 124.259 120.400 0.051 0.000 2.425 411 D HA 0.138 4.778 4.640 -0.000 0.000 0.247 411 D C -0.000 176.438 176.300 0.231 0.000 1.147 411 D CA 0.510 54.629 54.000 0.199 0.000 0.879 411 D CB 1.069 41.966 40.800 0.162 0.000 1.179 411 D HN 0.691 nan 8.370 nan 0.000 0.456 412 E N 1.726 122.067 120.200 0.236 0.000 2.241 412 E HA 0.532 4.882 4.350 -0.000 0.000 0.263 412 E C -1.100 175.640 176.600 0.234 0.000 0.882 412 E CA -1.004 55.521 56.400 0.209 0.000 0.769 412 E CB 1.238 31.009 29.700 0.119 0.000 1.185 412 E HN 0.447 nan 8.360 nan 0.000 0.415 413 A N 4.026 126.986 122.820 0.233 0.000 2.555 413 A HA -0.021 4.299 4.320 -0.000 0.000 0.233 413 A C 0.478 178.195 177.584 0.222 0.000 1.060 413 A CA -0.092 52.071 52.037 0.210 0.000 0.759 413 A CB 0.106 19.201 19.000 0.158 0.000 0.995 413 A HN 0.704 nan 8.150 nan 0.000 0.506 414 N N 1.249 120.093 118.700 0.241 0.000 2.971 414 N HA 0.235 4.975 4.740 -0.000 0.000 0.294 414 N C -1.011 174.633 175.510 0.224 0.000 1.210 414 N CA 0.327 53.544 53.050 0.278 0.000 1.157 414 N CB -0.966 37.690 38.487 0.282 0.000 1.450 414 N HN 0.483 nan 8.380 nan 0.000 0.527 415 I N 0.801 121.496 120.570 0.209 0.000 2.586 415 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 415 I C -0.658 175.567 176.117 0.181 0.000 1.147 415 I CA -0.593 60.817 61.300 0.183 0.000 1.047 415 I CB 2.116 40.203 38.000 0.144 0.000 1.244 415 I HN 0.188 nan 8.210 nan 0.000 0.429 416 E N 3.638 123.939 120.200 0.169 0.000 2.311 416 E HA 0.409 4.759 4.350 -0.000 0.000 0.281 416 E C -0.657 176.017 176.600 0.124 0.000 0.905 416 E CA -0.406 56.072 56.400 0.130 0.000 0.778 416 E CB 1.727 31.505 29.700 0.129 0.000 1.240 416 E HN 0.636 nan 8.360 nan 0.000 0.410 417 T N 0.465 115.079 114.554 0.101 0.000 3.393 417 T HA 0.131 4.480 4.350 -0.000 0.000 0.298 417 T C 0.979 175.734 174.700 0.092 0.000 1.004 417 T CA -0.192 61.984 62.100 0.126 0.000 0.956 417 T CB -0.355 68.559 68.868 0.077 0.000 1.182 417 T HN 0.675 nan 8.240 nan 0.000 0.497 418 H N 1.314 120.312 119.070 -0.120 0.000 2.362 418 H HA -0.105 4.451 4.556 -0.000 0.000 0.294 418 H C 1.975 177.168 175.328 -0.226 0.000 1.113 418 H CA 1.285 57.221 56.048 -0.186 0.000 1.253 418 H CB -0.229 29.392 29.762 -0.234 0.000 1.363 418 H HN 0.561 nan 8.280 nan 0.000 0.494 419 G N 0.334 108.956 108.800 -0.297 0.000 3.374 419 G HA2 0.138 4.098 3.960 -0.000 0.000 0.252 419 G HA3 0.138 4.098 3.960 -0.000 0.000 0.252 419 G C -0.067 174.900 174.900 0.113 0.000 1.326 419 G CA -0.240 44.698 45.100 -0.270 0.000 1.133 419 G HN 0.148 nan 8.290 nan 0.000 0.528 420 M N 0.206 119.878 119.600 0.121 0.000 2.537 420 M HA 0.442 4.922 4.480 -0.000 0.000 0.324 420 M C -0.909 175.417 176.300 0.044 0.000 1.187 420 M CA -0.772 54.600 55.300 0.120 0.000 0.993 420 M CB 2.194 34.854 32.600 0.099 0.000 1.666 420 M HN -0.225 nan 8.290 nan 0.000 0.461 421 V N 3.371 123.300 119.914 0.025 0.000 2.380 421 V HA 0.372 4.492 4.120 -0.000 0.000 0.286 421 V C -2.194 173.897 176.094 -0.005 0.000 1.015 421 V CA -1.210 61.092 62.300 0.003 0.000 0.834 421 V CB 1.479 33.300 31.823 -0.004 0.000 1.009 421 V HN 0.693 nan 8.190 nan 0.000 0.428 422 P HA 0.341 nan 4.420 nan 0.000 0.279 422 P C 0.998 178.299 177.300 0.002 0.000 1.276 422 P CA -0.742 62.354 63.100 -0.005 0.000 0.801 422 P CB 0.726 32.423 31.700 -0.005 0.000 1.127 423 M N 0.209 119.813 119.600 0.007 0.000 2.623 423 M HA -0.180 4.300 4.480 -0.000 0.000 0.258 423 M C 1.200 177.518 176.300 0.031 0.000 1.067 423 M CA 1.443 56.755 55.300 0.021 0.000 1.068 423 M CB -0.541 32.060 32.600 0.000 0.000 1.409 423 M HN 0.358 nan 8.290 nan 0.000 0.504 424 N N -0.140 118.571 118.700 0.018 0.000 2.093 424 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 424 N C 1.252 176.733 175.510 -0.048 0.000 1.062 424 N CA 1.105 54.159 53.050 0.007 0.000 0.854 424 N CB 0.092 38.575 38.487 -0.007 0.000 1.043 424 N HN 0.132 nan 8.380 nan 0.000 0.438 425 R N 0.122 120.588 120.500 -0.058 0.000 2.547 425 R HA -0.295 4.045 4.340 -0.000 0.000 0.238 425 R C 1.785 177.983 176.300 -0.170 0.000 0.765 425 R CA 2.467 58.509 56.100 -0.096 0.000 0.190 425 R CB -1.330 28.910 30.300 -0.100 0.000 0.584 425 R HN 0.314 nan 8.270 nan 0.000 0.225 426 L N -1.071 119.975 121.223 -0.296 0.000 2.179 426 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 426 L C 2.456 179.162 176.870 -0.273 0.000 1.096 426 L CA 1.433 55.954 54.840 -0.532 0.000 0.779 426 L CB -0.708 40.668 42.059 -1.138 0.000 0.922 426 L HN 0.609 nan 8.230 nan 0.000 0.443 427 T N -3.970 110.464 114.554 -0.201 0.000 2.951 427 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 427 T C 1.254 175.829 174.700 -0.208 0.000 1.073 427 T CA 1.254 63.215 62.100 -0.231 0.000 1.134 427 T CB -0.248 68.422 68.868 -0.330 0.000 0.884 427 T HN 0.135 nan 8.240 nan 0.000 0.479 428 D N 1.246 121.571 120.400 -0.126 0.000 2.388 428 D HA 0.169 4.809 4.640 -0.000 0.000 0.221 428 D C -0.594 175.679 176.300 -0.046 0.000 1.133 428 D CA -0.265 53.677 54.000 -0.097 0.000 0.831 428 D CB -0.049 40.705 40.800 -0.077 0.000 0.962 428 D HN 0.328 nan 8.370 nan 0.000 0.502 429 D N -0.294 120.100 120.400 -0.010 0.000 2.425 429 D HA 0.166 4.806 4.640 -0.000 0.000 0.240 429 D C -1.799 174.555 176.300 0.091 0.000 1.080 429 D CA -2.212 51.828 54.000 0.068 0.000 0.836 429 D CB 2.291 43.188 40.800 0.161 0.000 1.125 429 D HN -0.103 nan 8.370 nan 0.000 0.525 430 P HA -0.157 nan 4.420 nan 0.000 0.216 430 P C 1.015 178.311 177.300 -0.006 0.000 1.153 430 P CA 1.212 64.312 63.100 0.001 0.000 0.858 430 P CB 0.292 31.983 31.700 -0.014 0.000 0.789 431 R N -2.020 118.479 120.500 -0.002 0.000 2.200 431 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 431 R C 1.938 178.104 176.300 -0.224 0.000 1.127 431 R CA 1.390 57.418 56.100 -0.120 0.000 0.989 431 R CB -0.910 29.281 30.300 -0.182 0.000 0.869 431 R HN 0.345 nan 8.270 nan 0.000 0.459 432 W N -0.597 120.644 121.300 -0.099 0.000 2.942 432 W HA 0.147 4.807 4.660 -0.000 0.000 0.263 432 W C 1.565 178.025 176.519 -0.099 0.000 1.296 432 W CA -0.442 56.845 57.345 -0.098 0.000 1.504 432 W CB -0.205 29.196 29.460 -0.098 0.000 1.096 432 W HN -0.015 nan 8.180 nan 0.000 0.639 433 L N 2.493 123.754 121.223 0.063 0.000 2.011 433 L HA -0.227 4.113 4.340 -0.000 0.000 0.225 433 L C -0.601 176.237 176.870 -0.052 0.000 1.084 433 L CA 2.526 57.355 54.840 -0.018 0.000 0.791 433 L CB -2.071 39.963 42.059 -0.042 0.000 0.898 433 L HN -0.143 nan 8.230 nan 0.000 0.440 434 P HA -0.126 nan 4.420 nan 0.000 0.216 434 P C 1.561 178.813 177.300 -0.080 0.000 1.150 434 P CA 2.228 65.269 63.100 -0.098 0.000 0.837 434 P CB -0.251 31.380 31.700 -0.115 0.000 0.786 435 A N -0.622 122.170 122.820 -0.047 0.000 1.872 435 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 435 A C 2.261 179.868 177.584 0.039 0.000 1.187 435 A CA 1.705 53.749 52.037 0.012 0.000 0.614 435 A CB -1.441 17.607 19.000 0.079 0.000 0.826 435 A HN 0.050 nan 8.150 nan 0.000 0.442 436 M N 0.756 120.394 119.600 0.063 0.000 2.106 436 M HA -0.194 4.286 4.480 -0.000 0.000 0.259 436 M C 2.486 178.751 176.300 -0.059 0.000 1.068 436 M CA 2.009 57.320 55.300 0.019 0.000 1.100 436 M CB -0.675 31.916 32.600 -0.014 0.000 1.351 436 M HN 0.676 nan 8.290 nan 0.000 0.404 437 S N 0.013 115.646 115.700 -0.113 0.000 2.399 437 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 437 S C 1.609 176.054 174.600 -0.258 0.000 1.022 437 S CA 0.987 59.052 58.200 -0.224 0.000 0.983 437 S CB -0.488 62.550 63.200 -0.269 0.000 0.803 437 S HN 0.467 nan 8.310 nan 0.000 0.480 438 E N 1.383 121.485 120.200 -0.163 0.000 2.204 438 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 438 E C 2.270 178.805 176.600 -0.107 0.000 0.990 438 E CA 0.779 57.095 56.400 -0.140 0.000 0.821 438 E CB -0.134 29.515 29.700 -0.084 0.000 0.750 438 E HN 0.635 nan 8.360 nan 0.000 0.477 439 R N 0.129 120.590 120.500 -0.064 0.000 2.062 439 R HA -0.040 4.300 4.340 -0.000 0.000 0.226 439 R C 2.532 178.816 176.300 -0.026 0.000 1.125 439 R CA 0.878 56.974 56.100 -0.008 0.000 0.966 439 R CB -0.200 30.132 30.300 0.052 0.000 0.861 439 R HN -0.023 nan 8.270 nan 0.000 0.433 440 V N 0.871 120.737 119.914 -0.081 0.000 2.323 440 V HA -0.230 3.890 4.120 -0.000 0.000 0.244 440 V C 2.549 178.542 176.094 -0.167 0.000 1.041 440 V CA 2.247 64.497 62.300 -0.083 0.000 1.025 440 V CB -0.955 30.822 31.823 -0.077 0.000 0.656 440 V HN 0.546 nan 8.190 nan 0.000 0.451 441 T N -0.636 113.679 114.554 -0.397 0.000 2.746 441 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 441 T C 1.989 176.586 174.700 -0.172 0.000 1.039 441 T CA 1.592 63.368 62.100 -0.541 0.000 1.142 441 T CB -0.421 67.921 68.868 -0.876 0.000 0.866 441 T HN 0.393 nan 8.240 nan 0.000 0.444 442 R N -0.013 120.398 120.500 -0.148 0.000 2.115 442 R HA 0.172 4.512 4.340 -0.000 0.000 0.230 442 R C 2.685 178.952 176.300 -0.054 0.000 1.111 442 R CA 1.328 57.376 56.100 -0.086 0.000 0.976 442 R CB -0.425 29.826 30.300 -0.081 0.000 0.870 442 R HN 0.438 nan 8.270 nan 0.000 0.445 443 M N 0.569 120.154 119.600 -0.025 0.000 2.066 443 M HA -0.190 4.290 4.480 -0.000 0.000 0.259 443 M C 2.018 178.331 176.300 0.021 0.000 1.074 443 M CA 1.867 57.191 55.300 0.040 0.000 1.114 443 M CB -0.040 32.629 32.600 0.114 0.000 1.306 443 M HN 0.010 nan 8.290 nan 0.000 0.411 444 V N 0.658 120.493 119.914 -0.131 0.000 2.332 444 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 444 V C 2.224 178.247 176.094 -0.117 0.000 1.055 444 V CA 2.093 64.197 62.300 -0.326 0.000 1.038 444 V CB -1.117 30.410 31.823 -0.493 0.000 0.651 444 V HN 0.589 nan 8.190 nan 0.000 0.450 445 Q N -0.619 119.146 119.800 -0.058 0.000 2.096 445 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 445 Q C 2.552 178.495 176.000 -0.094 0.000 0.982 445 Q CA 1.898 57.668 55.803 -0.056 0.000 0.850 445 Q CB -0.194 28.538 28.738 -0.009 0.000 0.901 445 Q HN 0.555 nan 8.270 nan 0.000 0.422 446 R N 0.260 120.702 120.500 -0.097 0.000 2.055 446 R HA -0.124 4.216 4.340 -0.000 0.000 0.228 446 R C 1.147 177.368 176.300 -0.132 0.000 1.143 446 R CA 1.700 57.716 56.100 -0.140 0.000 0.945 446 R CB 0.115 30.335 30.300 -0.133 0.000 0.841 446 R HN 0.223 nan 8.270 nan 0.000 0.429 447 D N 0.207 120.580 120.400 -0.046 0.000 2.249 447 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 447 D C 1.750 178.041 176.300 -0.016 0.000 0.962 447 D CA 0.764 54.731 54.000 -0.055 0.000 0.860 447 D CB -0.204 40.507 40.800 -0.148 0.000 0.955 447 D HN 0.318 nan 8.370 nan 0.000 0.505 448 R N 1.492 122.077 120.500 0.142 0.000 2.293 448 R HA -0.201 4.139 4.340 -0.000 0.000 0.270 448 R C 0.900 177.150 176.300 -0.083 0.000 1.192 448 R CA 1.627 57.809 56.100 0.138 0.000 1.017 448 R CB -0.659 29.663 30.300 0.038 0.000 0.887 448 R HN 0.091 nan 8.270 nan 0.000 0.480 449 N N 0.022 118.579 118.700 -0.237 0.000 2.280 449 N HA -0.013 4.727 4.740 -0.000 0.000 0.192 449 N C -0.521 174.818 175.510 -0.284 0.000 1.109 449 N CA 0.165 53.045 53.050 -0.282 0.000 0.855 449 N CB 0.086 38.369 38.487 -0.340 0.000 0.974 449 N HN 0.371 nan 8.380 nan 0.000 0.482 450 H N 1.355 120.327 119.070 -0.163 0.000 2.800 450 H HA 0.111 4.667 4.556 -0.000 0.000 0.291 450 H C -1.240 173.915 175.328 -0.288 0.000 1.076 450 H CA -1.313 54.627 56.048 -0.180 0.000 1.452 450 H CB 1.346 31.044 29.762 -0.108 0.000 1.461 450 H HN 0.002 nan 8.280 nan 0.000 0.488 451 P HA -0.194 nan 4.420 nan 0.000 0.217 451 P C 1.608 178.407 177.300 -0.835 0.000 1.148 451 P CA 1.566 64.279 63.100 -0.644 0.000 0.828 451 P CB 0.219 31.273 31.700 -1.075 0.000 0.783 452 S N -1.481 113.865 115.700 -0.589 0.000 2.447 452 S HA -0.034 4.436 4.470 -0.000 0.000 0.233 452 S C 0.957 175.529 174.600 -0.046 0.000 1.006 452 S CA 0.316 58.368 58.200 -0.247 0.000 0.957 452 S CB -1.373 61.850 63.200 0.040 0.000 0.773 452 S HN -0.083 nan 8.310 nan 0.000 0.507 453 V N 2.988 122.837 119.914 -0.109 0.000 2.686 453 V HA 0.340 4.460 4.120 -0.000 0.000 0.295 453 V C 0.980 176.945 176.094 -0.215 0.000 1.055 453 V CA 0.168 62.368 62.300 -0.166 0.000 1.050 453 V CB 0.907 32.519 31.823 -0.352 0.000 0.984 453 V HN 0.664 nan 8.190 nan 0.000 0.482 454 I N 1.428 121.884 120.570 -0.190 0.000 4.620 454 I HA 0.500 4.670 4.170 -0.000 0.000 0.347 454 I C -0.066 175.939 176.117 -0.187 0.000 1.302 454 I CA 0.163 61.372 61.300 -0.152 0.000 1.277 454 I CB 0.444 38.426 38.000 -0.031 0.000 1.566 454 I HN 0.329 nan 8.210 nan 0.000 0.547 455 I N 0.193 120.603 120.570 -0.266 0.000 2.894 455 I HA 0.430 4.600 4.170 -0.000 0.000 0.302 455 I C -1.802 174.165 176.117 -0.249 0.000 1.188 455 I CA -0.437 60.755 61.300 -0.181 0.000 1.014 455 I CB 2.181 40.158 38.000 -0.038 0.000 1.242 455 I HN 0.013 nan 8.210 nan 0.000 0.430 456 W N 2.777 124.112 121.300 0.057 0.000 2.656 456 W HA 0.597 5.257 4.660 -0.000 0.000 0.327 456 W C 0.091 176.660 176.519 0.084 0.000 1.041 456 W CA -0.685 56.702 57.345 0.071 0.000 1.229 456 W CB 2.063 31.563 29.460 0.068 0.000 1.397 456 W HN 0.302 nan 8.180 nan 0.000 0.479 457 S N 2.852 118.752 115.700 0.333 0.000 2.503 457 S HA 0.507 4.977 4.470 -0.000 0.000 0.301 457 S C -0.107 174.648 174.600 0.257 0.000 1.087 457 S CA -0.654 57.688 58.200 0.237 0.000 1.042 457 S CB 0.677 63.953 63.200 0.126 0.000 1.043 457 S HN 0.542 nan 8.310 nan 0.000 0.489 458 L N 4.610 125.988 121.223 0.258 0.000 2.888 458 L HA 0.406 4.746 4.340 -0.000 0.000 0.237 458 L C 1.240 178.229 176.870 0.199 0.000 1.288 458 L CA 0.078 55.020 54.840 0.171 0.000 1.110 458 L CB -1.267 40.795 42.059 0.006 0.000 1.441 458 L HN 1.028 nan 8.230 nan 0.000 0.474 459 G N 0.585 109.529 108.800 0.239 0.000 2.451 459 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.208 459 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.208 459 G C -1.057 173.940 174.900 0.163 0.000 1.248 459 G CA -0.531 44.697 45.100 0.214 0.000 0.989 459 G HN 0.362 nan 8.290 nan 0.000 0.559 460 N N 1.120 119.869 118.700 0.081 0.000 2.308 460 N HA 0.464 5.204 4.740 -0.000 0.000 0.283 460 N C -0.399 175.006 175.510 -0.176 0.000 1.105 460 N CA 0.268 53.186 53.050 -0.220 0.000 0.840 460 N CB 1.288 39.348 38.487 -0.712 0.000 1.633 460 N HN 1.107 nan 8.380 nan 0.000 0.476 461 E N 0.972 120.962 120.200 -0.350 0.000 1.839 461 E HA -0.213 4.137 4.350 -0.000 0.000 0.229 461 E C -0.866 175.664 176.600 -0.117 0.000 1.512 461 E CA 0.702 56.893 56.400 -0.349 0.000 0.767 461 E CB -1.524 27.778 29.700 -0.664 0.000 0.942 461 E HN 0.432 nan 8.360 nan 0.000 0.301 462 S N 0.637 116.386 115.700 0.081 0.000 2.993 462 S HA 0.399 4.869 4.470 -0.000 0.000 0.257 462 S C 0.769 175.528 174.600 0.265 0.000 0.997 462 S CA -0.020 58.301 58.200 0.203 0.000 1.191 462 S CB 1.441 64.830 63.200 0.316 0.000 1.143 462 S HN 1.067 nan 8.310 nan 0.000 0.655 463 G N 2.068 110.962 108.800 0.157 0.000 2.552 463 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.265 463 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.265 463 G C -0.512 174.588 174.900 0.333 0.000 1.234 463 G CA 0.081 45.270 45.100 0.149 0.000 0.944 463 G HN 0.621 nan 8.290 nan 0.000 0.568 464 H N 0.694 119.876 119.070 0.187 0.000 3.013 464 H HA 0.556 5.112 4.556 -0.000 0.000 0.326 464 H C 0.171 175.661 175.328 0.271 0.000 0.973 464 H CA 0.106 56.302 56.048 0.248 0.000 1.369 464 H CB 0.641 30.480 29.762 0.128 0.000 1.598 464 H HN 1.145 nan 8.280 nan 0.000 0.518 465 G N 1.483 110.306 108.800 0.039 0.000 2.569 465 G HA2 0.463 4.423 3.960 -0.000 0.000 0.300 465 G HA3 0.463 4.423 3.960 -0.000 0.000 0.300 465 G C 0.685 175.372 174.900 -0.355 0.000 1.269 465 G CA -0.145 44.792 45.100 -0.271 0.000 0.959 465 G HN 0.659 nan 8.290 nan 0.000 0.478 466 A N 0.852 123.523 122.820 -0.248 0.000 1.927 466 A HA -0.192 4.127 4.320 -0.000 0.000 0.220 466 A C 2.176 179.697 177.584 -0.105 0.000 1.185 466 A CA 2.314 54.268 52.037 -0.138 0.000 0.639 466 A CB -0.617 18.331 19.000 -0.085 0.000 0.820 466 A HN 0.596 nan 8.150 nan 0.000 0.451 467 N N -0.300 118.298 118.700 -0.170 0.000 2.258 467 N HA -0.172 4.568 4.740 -0.000 0.000 0.187 467 N C 1.277 176.688 175.510 -0.166 0.000 1.012 467 N CA 1.814 54.759 53.050 -0.175 0.000 0.870 467 N CB -0.775 37.590 38.487 -0.204 0.000 0.977 467 N HN 0.820 nan 8.380 nan 0.000 0.434 468 H N 0.371 119.397 119.070 -0.073 0.000 2.299 468 H HA -0.018 4.538 4.556 -0.000 0.000 0.302 468 H C 1.303 176.674 175.328 0.071 0.000 1.078 468 H CA 1.375 57.390 56.048 -0.056 0.000 1.323 468 H CB 0.047 29.773 29.762 -0.060 0.000 1.381 468 H HN 0.155 nan 8.280 nan 0.000 0.498 469 D N 0.784 121.325 120.400 0.235 0.000 2.106 469 D HA -0.218 4.422 4.640 -0.000 0.000 0.191 469 D C 2.327 178.768 176.300 0.234 0.000 0.997 469 D CA 1.348 55.491 54.000 0.238 0.000 0.834 469 D CB -0.771 40.142 40.800 0.188 0.000 0.956 469 D HN 0.428 nan 8.370 nan 0.000 0.448 470 A N 1.275 124.177 122.820 0.137 0.000 1.869 470 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 470 A C 2.449 180.129 177.584 0.160 0.000 1.203 470 A CA 1.484 53.591 52.037 0.117 0.000 0.638 470 A CB -1.061 17.968 19.000 0.047 0.000 0.831 470 A HN 0.242 nan 8.150 nan 0.000 0.450 471 L N -2.073 119.230 121.223 0.133 0.000 2.079 471 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 471 L C 2.640 179.655 176.870 0.242 0.000 1.081 471 L CA 2.118 57.049 54.840 0.151 0.000 0.752 471 L CB -0.750 41.342 42.059 0.055 0.000 0.896 471 L HN 0.684 nan 8.230 nan 0.000 0.433 472 Y N 0.784 121.148 120.300 0.108 0.000 2.070 472 Y HA -0.265 4.285 4.550 -0.000 0.000 0.280 472 Y C 2.907 178.860 175.900 0.088 0.000 1.148 472 Y CA 1.533 59.692 58.100 0.099 0.000 1.125 472 Y CB -0.328 38.191 38.460 0.098 0.000 0.975 472 Y HN -0.056 nan 8.280 nan 0.000 0.492 473 R N -0.356 120.181 120.500 0.063 0.000 2.094 473 R HA -0.275 4.065 4.340 -0.000 0.000 0.239 473 R C 2.144 178.407 176.300 -0.062 0.000 1.137 473 R CA 2.073 58.131 56.100 -0.071 0.000 0.943 473 R CB -1.619 28.725 30.300 0.073 0.000 0.850 473 R HN 0.657 nan 8.270 nan 0.000 0.433 474 W N 1.729 122.973 121.300 -0.093 0.000 2.290 474 W HA -0.284 4.376 4.660 -0.000 0.000 0.328 474 W C 1.962 178.379 176.519 -0.170 0.000 1.272 474 W CA 2.313 59.591 57.345 -0.112 0.000 1.262 474 W CB -0.544 28.859 29.460 -0.095 0.000 1.151 474 W HN 0.056 nan 8.180 nan 0.000 0.473 475 I N 0.374 120.868 120.570 -0.127 0.000 2.208 475 I HA -0.333 3.837 4.170 -0.000 0.000 0.245 475 I C 2.388 178.241 176.117 -0.440 0.000 1.097 475 I CA 1.401 62.461 61.300 -0.400 0.000 1.363 475 I CB -1.112 36.741 38.000 -0.245 0.000 1.051 475 I HN -0.075 nan 8.210 nan 0.000 0.413 476 K N 1.178 121.348 120.400 -0.383 0.000 2.173 476 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 476 K C 2.231 178.659 176.600 -0.287 0.000 1.046 476 K CA 1.554 57.630 56.287 -0.352 0.000 0.929 476 K CB -0.453 31.791 32.500 -0.426 0.000 0.720 476 K HN 0.357 nan 8.250 nan 0.000 0.453 477 S N -0.179 115.316 115.700 -0.342 0.000 2.412 477 S HA -0.004 4.466 4.470 -0.000 0.000 0.223 477 S C 2.094 176.472 174.600 -0.370 0.000 1.048 477 S CA 0.554 58.571 58.200 -0.305 0.000 0.954 477 S CB -0.063 62.967 63.200 -0.283 0.000 0.840 477 S HN -0.017 nan 8.310 nan 0.000 0.503 478 V N 1.569 121.114 119.914 -0.615 0.000 2.626 478 V HA 0.003 4.123 4.120 -0.000 0.000 0.252 478 V C 0.427 176.261 176.094 -0.433 0.000 1.067 478 V CA 1.351 63.278 62.300 -0.622 0.000 1.081 478 V CB -0.401 30.756 31.823 -1.110 0.000 0.686 478 V HN 0.374 nan 8.190 nan 0.000 0.468 479 D N -0.658 119.511 120.400 -0.385 0.000 2.472 479 D HA 0.223 4.863 4.640 -0.000 0.000 0.248 479 D C -2.203 174.038 176.300 -0.097 0.000 1.271 479 D CA -1.401 52.480 54.000 -0.199 0.000 0.888 479 D CB 1.414 42.141 40.800 -0.123 0.000 1.337 479 D HN 0.126 nan 8.370 nan 0.000 0.526 480 P HA 0.009 nan 4.420 nan 0.000 0.253 480 P C 0.818 178.117 177.300 -0.002 0.000 1.281 480 P CA 0.277 63.343 63.100 -0.056 0.000 0.792 480 P CB 0.077 31.738 31.700 -0.065 0.000 1.193 481 S N -0.592 115.124 115.700 0.027 0.000 2.524 481 S HA 0.096 4.566 4.470 -0.000 0.000 0.216 481 S C 0.791 175.424 174.600 0.055 0.000 0.987 481 S CA -0.492 57.733 58.200 0.041 0.000 0.909 481 S CB -0.323 62.893 63.200 0.027 0.000 0.781 481 S HN 0.213 nan 8.310 nan 0.000 0.521 482 R N 0.492 121.051 120.500 0.097 0.000 2.626 482 R HA 0.599 4.939 4.340 -0.000 0.000 0.274 482 R C -3.475 172.906 176.300 0.136 0.000 1.031 482 R CA -2.177 53.966 56.100 0.071 0.000 0.898 482 R CB 0.565 30.838 30.300 -0.046 0.000 1.222 482 R HN 0.028 nan 8.270 nan 0.000 0.455 483 P HA 0.154 nan 4.420 nan 0.000 0.273 483 P C -0.500 176.916 177.300 0.193 0.000 1.250 483 P CA -0.520 62.653 63.100 0.121 0.000 0.793 483 P CB 0.647 32.399 31.700 0.086 0.000 1.011 484 V N 0.607 120.663 119.914 0.236 0.000 2.815 484 V HA 0.489 4.609 4.120 -0.000 0.000 0.314 484 V C 0.236 176.490 176.094 0.266 0.000 1.064 484 V CA -0.443 62.042 62.300 0.308 0.000 0.952 484 V CB 1.505 33.541 31.823 0.354 0.000 1.020 484 V HN 0.722 nan 8.190 nan 0.000 0.439 485 Q N 2.294 122.229 119.800 0.224 0.000 2.544 485 Q HA 0.834 5.174 4.340 -0.000 0.000 0.291 485 Q C -1.821 174.299 176.000 0.199 0.000 1.068 485 Q CA -0.961 54.927 55.803 0.142 0.000 0.785 485 Q CB 2.933 31.698 28.738 0.045 0.000 1.481 485 Q HN 0.670 nan 8.270 nan 0.000 0.430 486 Y N -0.368 119.885 120.300 -0.078 0.000 2.288 486 Y HA 0.072 4.622 4.550 -0.000 0.000 0.319 486 Y C -0.527 175.261 175.900 -0.187 0.000 1.349 486 Y CA -0.554 57.465 58.100 -0.135 0.000 1.287 486 Y CB 1.538 39.913 38.460 -0.142 0.000 1.296 486 Y HN 0.943 nan 8.280 nan 0.000 0.431 487 E N 3.683 123.404 120.200 -0.798 0.000 2.170 487 E HA 0.099 4.449 4.350 -0.000 0.000 0.191 487 E C 0.959 177.143 176.600 -0.693 0.000 0.981 487 E CA 0.971 56.992 56.400 -0.631 0.000 0.830 487 E CB 0.058 29.459 29.700 -0.499 0.000 0.775 487 E HN 0.946 nan 8.360 nan 0.000 0.470 488 G N 0.325 108.351 108.800 -1.289 0.000 2.863 488 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.225 488 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.225 488 G C 0.896 175.662 174.900 -0.223 0.000 1.152 488 G CA 0.525 45.216 45.100 -0.682 0.000 0.857 488 G HN 0.395 nan 8.290 nan 0.000 0.527 489 G N -0.230 108.525 108.800 -0.074 0.000 2.468 489 G HA2 0.180 4.140 3.960 -0.000 0.000 0.311 489 G HA3 0.180 4.140 3.960 -0.000 0.000 0.311 489 G C 1.370 176.260 174.900 -0.016 0.000 0.942 489 G CA 1.541 46.642 45.100 0.002 0.000 0.893 489 G HN 2.573 nan 8.290 nan 0.000 0.513 490 G N -2.465 106.314 108.800 -0.035 0.000 2.672 490 G HA2 0.386 4.346 3.960 -0.000 0.000 0.197 490 G HA3 0.386 4.346 3.960 -0.000 0.000 0.197 490 G C 1.037 176.036 174.900 0.165 0.000 0.995 490 G CA 1.171 46.318 45.100 0.079 0.000 0.754 490 G HN 2.186 nan 8.290 nan 0.000 0.505 491 A N 0.198 122.999 122.820 -0.033 0.000 3.413 491 A HA -0.138 4.182 4.320 -0.000 0.000 0.268 491 A C 1.144 178.686 177.584 -0.070 0.000 1.128 491 A CA 2.697 54.667 52.037 -0.112 0.000 1.062 491 A CB -1.796 17.102 19.000 -0.169 0.000 1.121 491 A HN 2.051 nan 8.150 nan 0.000 0.895 492 D N -1.886 118.550 120.400 0.060 0.000 2.651 492 D HA 0.277 4.917 4.640 -0.000 0.000 0.280 492 D C 0.156 176.464 176.300 0.013 0.000 1.496 492 D CA 0.656 54.705 54.000 0.082 0.000 0.792 492 D CB -1.021 39.984 40.800 0.341 0.000 1.144 492 D HN 0.214 nan 8.370 nan 0.000 0.470 493 T N 0.351 114.844 114.554 -0.100 0.000 2.734 493 T HA 0.145 4.495 4.350 -0.000 0.000 0.314 493 T C 1.792 176.353 174.700 -0.231 0.000 1.057 493 T CA 0.930 62.892 62.100 -0.230 0.000 1.047 493 T CB 1.110 69.694 68.868 -0.473 0.000 0.991 493 T HN 0.321 nan 8.240 nan 0.000 0.540 494 T N -1.124 113.291 114.554 -0.230 0.000 3.051 494 T HA 0.042 4.392 4.350 -0.000 0.000 0.269 494 T C 1.660 176.108 174.700 -0.421 0.000 1.127 494 T CA 0.599 62.584 62.100 -0.191 0.000 1.107 494 T CB -0.207 68.630 68.868 -0.052 0.000 0.898 494 T HN 0.564 nan 8.240 nan 0.000 0.517 495 A N 0.314 122.854 122.820 -0.467 0.000 2.278 495 A HA 0.427 4.747 4.320 -0.000 0.000 0.212 495 A C 1.049 178.268 177.584 -0.608 0.000 1.213 495 A CA 0.027 51.699 52.037 -0.609 0.000 0.840 495 A CB -0.072 18.804 19.000 -0.206 0.000 0.866 495 A HN 0.451 nan 8.150 nan 0.000 0.489 496 T N -1.331 112.966 114.554 -0.429 0.000 2.916 496 T HA 0.381 4.731 4.350 -0.000 0.000 0.298 496 T C -0.248 174.412 174.700 -0.067 0.000 1.031 496 T CA -0.526 61.475 62.100 -0.165 0.000 0.993 496 T CB 1.230 70.049 68.868 -0.081 0.000 1.045 496 T HN 0.123 nan 8.240 nan 0.000 0.454 497 D N 2.630 123.088 120.400 0.098 0.000 2.162 497 D HA 0.153 4.793 4.640 -0.000 0.000 0.203 497 D C 0.605 176.920 176.300 0.025 0.000 0.967 497 D CA 1.088 55.152 54.000 0.106 0.000 0.840 497 D CB 0.253 41.147 40.800 0.157 0.000 0.972 497 D HN 0.536 nan 8.370 nan 0.000 0.482 498 I N 1.272 121.841 120.570 -0.001 0.000 2.441 498 I HA 0.240 4.410 4.170 -0.000 0.000 0.295 498 I C -0.121 175.929 176.117 -0.113 0.000 0.994 498 I CA -0.931 60.337 61.300 -0.054 0.000 1.144 498 I CB 2.247 40.219 38.000 -0.047 0.000 1.314 498 I HN -0.281 nan 8.210 nan 0.000 0.445 499 I N 5.564 126.028 120.570 -0.177 0.000 2.421 499 I HA 0.129 4.299 4.170 -0.000 0.000 0.291 499 I C -0.005 175.902 176.117 -0.351 0.000 1.089 499 I CA -0.233 60.887 61.300 -0.300 0.000 1.354 499 I CB -0.070 37.658 38.000 -0.454 0.000 1.413 499 I HN 0.594 nan 8.210 nan 0.000 0.513 500 C N 5.598 124.711 119.300 -0.312 0.000 2.816 500 C HA 0.572 5.032 4.460 -0.000 0.000 0.255 500 C C -2.300 172.513 174.990 -0.294 0.000 1.141 500 C CA -2.268 56.590 59.018 -0.268 0.000 1.554 500 C CB -0.567 27.069 27.740 -0.172 0.000 1.778 500 C HN 0.442 nan 8.230 nan 0.000 0.429 501 P HA 0.379 nan 4.420 nan 0.000 0.276 501 P C -0.397 176.783 177.300 -0.201 0.000 1.261 501 P CA -0.162 62.789 63.100 -0.247 0.000 0.800 501 P CB 0.726 32.297 31.700 -0.214 0.000 1.066 502 M N 0.551 120.034 119.600 -0.196 0.000 2.227 502 M HA 0.401 4.881 4.480 -0.000 0.000 0.335 502 M C -0.962 175.184 176.300 -0.257 0.000 1.053 502 M CA -0.561 54.484 55.300 -0.426 0.000 0.973 502 M CB 1.064 33.285 32.600 -0.632 0.000 1.623 502 M HN 0.247 nan 8.290 nan 0.000 0.434 503 Y N -0.006 120.411 120.300 0.196 0.000 4.324 503 Y HA -0.218 4.332 4.550 -0.000 0.000 0.224 503 Y C 0.472 176.520 175.900 0.248 0.000 1.113 503 Y CA 0.616 58.853 58.100 0.229 0.000 1.887 503 Y CB -2.633 35.960 38.460 0.221 0.000 1.602 503 Y HN 0.922 nan 8.280 nan 0.000 0.654 504 A N 0.727 123.728 122.820 0.302 0.000 2.401 504 A HA 0.612 4.932 4.320 -0.000 0.000 0.259 504 A C 0.678 178.493 177.584 0.386 0.000 1.103 504 A CA -0.546 51.688 52.037 0.328 0.000 0.789 504 A CB 0.362 19.579 19.000 0.361 0.000 1.035 504 A HN 0.372 nan 8.150 nan 0.000 0.491 505 R N 1.659 122.335 120.500 0.294 0.000 2.459 505 R HA 0.321 4.661 4.340 -0.000 0.000 0.281 505 R C 1.119 177.487 176.300 0.112 0.000 1.050 505 R CA -0.585 55.643 56.100 0.214 0.000 1.055 505 R CB 1.094 31.454 30.300 0.099 0.000 1.045 505 R HN 0.515 nan 8.270 nan 0.000 0.495 506 V N 1.540 121.397 119.914 -0.094 0.000 2.317 506 V HA -0.278 3.842 4.120 -0.000 0.000 0.251 506 V C 0.700 176.747 176.094 -0.079 0.000 1.065 506 V CA 2.078 64.285 62.300 -0.155 0.000 1.049 506 V CB -0.288 31.309 31.823 -0.376 0.000 0.651 506 V HN 0.858 nan 8.190 nan 0.000 0.450 507 D N -1.971 118.397 120.400 -0.053 0.000 2.538 507 D HA 0.151 4.791 4.640 -0.000 0.000 0.241 507 D C 0.468 176.775 176.300 0.012 0.000 1.297 507 D CA -0.042 53.948 54.000 -0.017 0.000 0.804 507 D CB 1.006 41.791 40.800 -0.025 0.000 1.122 507 D HN 0.438 nan 8.370 nan 0.000 0.519 508 E N 1.850 122.061 120.200 0.019 0.000 2.129 508 E HA 0.151 4.501 4.350 -0.000 0.000 0.268 508 E C -1.116 175.502 176.600 0.029 0.000 0.900 508 E CA -0.567 55.843 56.400 0.018 0.000 0.755 508 E CB 1.424 31.124 29.700 0.000 0.000 1.117 508 E HN -0.130 nan 8.360 nan 0.000 0.410 509 D N 3.480 123.896 120.400 0.026 0.000 2.308 509 D HA 0.084 4.724 4.640 -0.000 0.000 0.251 509 D C -0.493 175.708 176.300 -0.165 0.000 1.127 509 D CA 0.133 54.137 54.000 0.007 0.000 0.876 509 D CB 1.079 41.956 40.800 0.128 0.000 1.176 509 D HN 0.333 nan 8.370 nan 0.000 0.446 510 Q N 2.876 122.483 119.800 -0.321 0.000 2.506 510 Q HA 0.286 4.626 4.340 -0.000 0.000 0.242 510 Q C -2.198 173.224 176.000 -0.963 0.000 1.060 510 Q CA -1.732 53.691 55.803 -0.632 0.000 0.826 510 Q CB 1.702 30.079 28.738 -0.602 0.000 1.169 510 Q HN 0.150 nan 8.270 nan 0.000 0.521 511 P HA 0.093 nan 4.420 nan 0.000 0.231 511 P C -0.958 176.019 177.300 -0.537 0.000 1.811 511 P CA -0.279 62.417 63.100 -0.673 0.000 1.051 511 P CB -0.269 31.207 31.700 -0.373 0.000 1.951 512 F N 3.924 123.720 119.950 -0.258 0.000 2.429 512 F HA 0.264 4.791 4.527 -0.000 0.000 0.348 512 F C -1.225 174.465 175.800 -0.184 0.000 1.109 512 F CA -2.691 55.206 58.000 -0.173 0.000 1.232 512 F CB -0.532 38.379 39.000 -0.149 0.000 1.157 512 F HN 0.150 nan 8.300 nan 0.000 0.564 513 P HA 0.071 nan 4.420 nan 0.000 0.267 513 P C 0.357 177.665 177.300 0.013 0.000 1.200 513 P CA 0.931 64.043 63.100 0.019 0.000 0.772 513 P CB 0.908 32.621 31.700 0.023 0.000 0.855 514 A N 2.488 125.304 122.820 -0.006 0.000 4.411 514 A HA -0.243 4.077 4.320 -0.000 0.000 0.252 514 A C 0.725 178.302 177.584 -0.013 0.000 0.659 514 A CA 2.148 54.184 52.037 -0.002 0.000 1.147 514 A CB -2.579 16.422 19.000 0.002 0.000 1.142 514 A HN 0.650 nan 8.150 nan 0.000 0.682 515 V N -3.972 115.930 119.914 -0.021 0.000 3.076 515 V HA 0.403 4.523 4.120 -0.000 0.000 0.374 515 V C -2.767 173.300 176.094 -0.045 0.000 1.303 515 V CA -0.947 61.336 62.300 -0.030 0.000 1.602 515 V CB 0.449 32.264 31.823 -0.014 0.000 1.167 515 V HN 0.331 nan 8.190 nan 0.000 0.596 516 P HA 0.180 nan 4.420 nan 0.000 0.267 516 P C -0.422 176.461 177.300 -0.695 0.000 1.200 516 P CA 0.530 63.257 63.100 -0.622 0.000 0.772 516 P CB 0.667 31.548 31.700 -1.364 0.000 0.855 517 K N 2.768 122.852 120.400 -0.527 0.000 2.414 517 K HA 0.218 4.538 4.320 -0.000 0.000 0.251 517 K C -0.457 175.953 176.600 -0.317 0.000 1.037 517 K CA -0.302 55.854 56.287 -0.218 0.000 0.980 517 K CB 0.514 33.100 32.500 0.145 0.000 1.280 517 K HN 0.463 nan 8.250 nan 0.000 0.451 518 W N 1.163 122.309 121.300 -0.256 0.000 2.129 518 W HA 0.117 4.777 4.660 -0.000 0.000 0.349 518 W C 1.354 177.924 176.519 0.086 0.000 1.279 518 W CA -0.493 56.745 57.345 -0.178 0.000 1.306 518 W CB 0.445 29.681 29.460 -0.375 0.000 1.140 518 W HN 0.368 nan 8.180 nan 0.000 0.613 519 S N 2.079 117.978 115.700 0.332 0.000 2.558 519 S HA -0.075 4.394 4.470 -0.000 0.000 0.287 519 S C 1.042 175.822 174.600 0.301 0.000 1.321 519 S CA -0.189 58.146 58.200 0.224 0.000 1.048 519 S CB 0.149 63.425 63.200 0.126 0.000 0.844 519 S HN 0.487 nan 8.310 nan 0.000 0.512 520 I N 1.203 121.905 120.570 0.220 0.000 3.251 520 I HA 0.040 4.210 4.170 -0.000 0.000 0.277 520 I C 1.637 177.815 176.117 0.101 0.000 1.268 520 I CA 0.560 61.992 61.300 0.220 0.000 1.449 520 I CB -0.358 37.715 38.000 0.123 0.000 1.083 520 I HN 0.553 nan 8.210 nan 0.000 0.464 521 K N 2.392 122.794 120.400 0.004 0.000 2.155 521 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 521 K C 2.165 178.825 176.600 0.099 0.000 1.052 521 K CA 1.425 57.675 56.287 -0.061 0.000 0.948 521 K CB -0.121 32.288 32.500 -0.151 0.000 0.728 521 K HN 0.440 nan 8.250 nan 0.000 0.448 522 K N 0.087 120.542 120.400 0.090 0.000 2.314 522 K HA -0.091 4.229 4.320 -0.000 0.000 0.198 522 K C 1.660 178.261 176.600 0.002 0.000 1.045 522 K CA 0.194 56.494 56.287 0.022 0.000 0.988 522 K CB 0.008 32.475 32.500 -0.055 0.000 0.783 522 K HN 0.150 nan 8.250 nan 0.000 0.484 523 W N 2.243 123.504 121.300 -0.065 0.000 2.354 523 W HA -0.100 4.560 4.660 -0.000 0.000 0.315 523 W C 1.605 178.090 176.519 -0.057 0.000 1.206 523 W CA 0.943 58.247 57.345 -0.069 0.000 1.290 523 W CB -0.567 28.947 29.460 0.090 0.000 1.152 523 W HN 0.041 nan 8.180 nan 0.000 0.489 524 L N 1.070 122.454 121.223 0.268 0.000 2.137 524 L HA -0.289 4.051 4.340 -0.000 0.000 0.213 524 L C 2.453 179.384 176.870 0.101 0.000 1.085 524 L CA 2.217 57.146 54.840 0.149 0.000 0.760 524 L CB -1.020 41.127 42.059 0.145 0.000 0.893 524 L HN 0.083 nan 8.230 nan 0.000 0.434 525 S N -1.304 114.438 115.700 0.069 0.000 2.548 525 S HA 0.101 4.571 4.470 -0.000 0.000 0.215 525 S C 0.825 175.402 174.600 -0.039 0.000 0.976 525 S CA -0.465 57.742 58.200 0.013 0.000 0.908 525 S CB -0.288 62.915 63.200 0.004 0.000 0.781 525 S HN 0.227 nan 8.310 nan 0.000 0.519 526 L N 2.659 123.845 121.223 -0.063 0.000 2.615 526 L HA 0.138 4.478 4.340 -0.000 0.000 0.284 526 L C -2.206 174.626 176.870 -0.062 0.000 1.237 526 L CA -1.242 53.524 54.840 -0.124 0.000 0.905 526 L CB -0.353 41.605 42.059 -0.168 0.000 1.149 526 L HN 0.103 nan 8.230 nan 0.000 0.499 527 P HA -0.006 nan 4.420 nan 0.000 0.254 527 P C 0.758 178.044 177.300 -0.023 0.000 1.186 527 P CA 0.999 64.072 63.100 -0.045 0.000 0.868 527 P CB 0.387 32.057 31.700 -0.050 0.000 0.856 528 G N 2.307 111.103 108.800 -0.007 0.000 2.909 528 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.198 528 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.198 528 G C 0.217 175.130 174.900 0.022 0.000 1.124 528 G CA -0.511 44.594 45.100 0.008 0.000 0.796 528 G HN 0.474 nan 8.290 nan 0.000 0.489 529 E N 1.408 121.629 120.200 0.035 0.000 2.459 529 E HA 0.425 4.775 4.350 -0.000 0.000 0.264 529 E C 1.438 178.059 176.600 0.035 0.000 1.055 529 E CA 1.218 57.651 56.400 0.055 0.000 0.957 529 E CB 0.923 30.684 29.700 0.100 0.000 0.952 529 E HN 0.865 nan 8.360 nan 0.000 0.448 530 T N -0.926 113.645 114.554 0.029 0.000 3.259 530 T HA 0.251 4.601 4.350 -0.000 0.000 0.287 530 T C 0.611 175.315 174.700 0.006 0.000 0.874 530 T CA -0.426 61.684 62.100 0.016 0.000 0.878 530 T CB 0.243 69.120 68.868 0.015 0.000 1.223 530 T HN 0.226 nan 8.240 nan 0.000 0.630 531 R N 1.870 122.370 120.500 -0.001 0.000 2.668 531 R HA 0.577 4.917 4.340 -0.000 0.000 0.268 531 R C -2.618 173.656 176.300 -0.043 0.000 1.232 531 R CA -1.761 54.326 56.100 -0.021 0.000 1.166 531 R CB -0.186 30.095 30.300 -0.033 0.000 1.179 531 R HN 0.204 nan 8.270 nan 0.000 0.606 532 P HA 0.152 nan 4.420 nan 0.000 0.278 532 P C -1.363 175.852 177.300 -0.142 0.000 1.258 532 P CA -0.374 62.673 63.100 -0.089 0.000 0.811 532 P CB 0.636 32.284 31.700 -0.087 0.000 1.063 533 L N 2.396 123.511 121.223 -0.179 0.000 2.376 533 L HA 0.573 4.913 4.340 -0.000 0.000 0.275 533 L C -1.359 175.345 176.870 -0.276 0.000 0.987 533 L CA -0.581 54.106 54.840 -0.255 0.000 0.828 533 L CB 0.196 42.104 42.059 -0.252 0.000 1.249 533 L HN 0.288 nan 8.230 nan 0.000 0.409 534 I N 6.017 126.424 120.570 -0.270 0.000 2.534 534 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 534 I C -0.690 175.293 176.117 -0.223 0.000 1.094 534 I CA -0.654 60.477 61.300 -0.281 0.000 1.055 534 I CB 2.205 40.114 38.000 -0.150 0.000 1.225 534 I HN 0.486 nan 8.210 nan 0.000 0.435 535 L N 5.441 126.493 121.223 -0.286 0.000 2.455 535 L HA 0.048 4.388 4.340 -0.000 0.000 0.272 535 L C 1.451 178.331 176.870 0.017 0.000 1.174 535 L CA -0.159 54.570 54.840 -0.184 0.000 0.869 535 L CB 0.856 42.753 42.059 -0.269 0.000 1.130 535 L HN 0.861 nan 8.230 nan 0.000 0.474 536 C N 0.861 120.153 119.300 -0.012 0.000 2.495 536 C HA 0.178 4.638 4.460 -0.000 0.000 0.275 536 C C 0.724 175.807 174.990 0.154 0.000 1.392 536 C CA -0.199 58.860 59.018 0.067 0.000 1.766 536 C CB -0.771 26.907 27.740 -0.104 0.000 1.933 536 C HN 0.834 nan 8.230 nan 0.000 0.519 537 E N -0.268 119.949 120.200 0.029 0.000 2.294 537 E HA 0.520 4.870 4.350 -0.000 0.000 0.272 537 E C -1.493 175.121 176.600 0.023 0.000 0.896 537 E CA -0.313 56.102 56.400 0.025 0.000 0.802 537 E CB 1.748 31.184 29.700 -0.439 0.000 1.267 537 E HN 0.572 nan 8.360 nan 0.000 0.406 538 Y N 0.372 120.806 120.300 0.224 0.000 2.571 538 Y HA 0.675 5.225 4.550 -0.000 0.000 0.341 538 Y C -0.541 175.625 175.900 0.443 0.000 1.076 538 Y CA -1.337 56.922 58.100 0.264 0.000 1.029 538 Y CB 0.850 39.232 38.460 -0.130 0.000 1.308 538 Y HN 0.581 nan 8.280 nan 0.000 0.461 539 A N 2.421 125.287 122.820 0.077 0.000 2.429 539 A HA -0.260 4.060 4.320 -0.000 0.000 0.290 539 A C -0.169 177.527 177.584 0.187 0.000 1.439 539 A CA 0.903 52.976 52.037 0.060 0.000 0.731 539 A CB -2.700 16.227 19.000 -0.121 0.000 1.138 539 A HN 1.268 nan 8.150 nan 0.000 0.384 540 H N 0.862 120.008 119.070 0.126 0.000 3.596 540 H HA 0.198 4.754 4.556 -0.000 0.000 0.231 540 H C 1.388 176.727 175.328 0.018 0.000 1.234 540 H CA 0.374 56.491 56.048 0.116 0.000 1.498 540 H CB 0.015 29.713 29.762 -0.107 0.000 1.668 540 H HN 0.937 nan 8.280 nan 0.000 0.555 541 A N 6.063 128.818 122.820 -0.108 0.000 2.167 541 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 541 A C 0.997 178.346 177.584 -0.391 0.000 1.548 541 A CA 0.088 51.968 52.037 -0.261 0.000 1.583 541 A CB -0.777 18.061 19.000 -0.270 0.000 0.761 541 A HN 0.753 nan 8.150 nan 0.000 0.627 542 M N 1.131 120.425 119.600 -0.510 0.000 2.220 542 M HA 0.342 4.822 4.480 -0.000 0.000 0.343 542 M C 1.357 177.397 176.300 -0.435 0.000 1.470 542 M CA 1.103 56.089 55.300 -0.523 0.000 1.161 542 M CB -0.164 32.073 32.600 -0.605 0.000 1.737 542 M HN 0.801 nan 8.290 nan 0.000 0.464 543 G N 4.297 112.850 108.800 -0.412 0.000 2.634 543 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.309 543 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.309 543 G C 0.038 174.499 174.900 -0.732 0.000 1.265 543 G CA 0.110 44.852 45.100 -0.596 0.000 0.998 543 G HN 0.760 nan 8.290 nan 0.000 0.551 544 N N 1.306 119.418 118.700 -0.979 0.000 2.402 544 N HA 0.513 5.253 4.740 -0.000 0.000 0.259 544 N C -0.040 175.205 175.510 -0.441 0.000 1.167 544 N CA 1.092 53.728 53.050 -0.690 0.000 0.949 544 N CB 0.671 38.764 38.487 -0.655 0.000 1.212 544 N HN 0.801 nan 8.380 nan 0.000 0.493 545 S N 2.184 117.690 115.700 -0.323 0.000 2.880 545 S HA 0.591 5.061 4.470 -0.000 0.000 0.308 545 S C -0.361 174.123 174.600 -0.192 0.000 1.195 545 S CA -0.375 57.676 58.200 -0.249 0.000 0.866 545 S CB 0.083 63.138 63.200 -0.242 0.000 1.254 545 S HN 0.382 nan 8.310 nan 0.000 0.571 546 L N 0.148 121.285 121.223 -0.144 0.000 4.793 546 L HA -0.055 4.285 4.340 -0.000 0.000 0.404 546 L C 0.476 177.329 176.870 -0.028 0.000 1.022 546 L CA 1.105 55.878 54.840 -0.110 0.000 1.242 546 L CB -1.761 40.158 42.059 -0.234 0.000 2.049 546 L HN 0.753 nan 8.230 nan 0.000 0.637 547 G N -0.769 107.987 108.800 -0.074 0.000 2.343 547 G HA2 0.497 4.457 3.960 -0.000 0.000 0.254 547 G HA3 0.497 4.457 3.960 -0.000 0.000 0.254 547 G C 1.221 176.105 174.900 -0.027 0.000 1.277 547 G CA 0.216 45.254 45.100 -0.103 0.000 0.909 547 G HN 1.436 nan 8.290 nan 0.000 0.502 548 G N 1.763 110.557 108.800 -0.010 0.000 2.176 548 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.232 548 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.232 548 G C 1.009 176.046 174.900 0.228 0.000 0.986 548 G CA 0.560 45.689 45.100 0.049 0.000 0.643 548 G HN 0.737 nan 8.290 nan 0.000 0.522 549 F N 1.805 121.830 119.950 0.126 0.000 2.346 549 F HA 0.124 4.651 4.527 -0.000 0.000 0.301 549 F C 2.437 178.389 175.800 0.254 0.000 1.070 549 F CA 1.971 60.117 58.000 0.243 0.000 1.407 549 F CB -0.200 38.885 39.000 0.141 0.000 1.072 549 F HN 0.399 nan 8.300 nan 0.000 0.543 550 A N -1.114 121.825 122.820 0.200 0.000 2.030 550 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 550 A C 2.275 179.862 177.584 0.005 0.000 1.164 550 A CA 0.630 52.726 52.037 0.097 0.000 0.697 550 A CB -0.400 18.675 19.000 0.125 0.000 0.827 550 A HN 0.296 nan 8.150 nan 0.000 0.457 551 K N -1.140 119.236 120.400 -0.039 0.000 2.026 551 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 551 K C 1.706 178.121 176.600 -0.308 0.000 1.048 551 K CA 1.833 58.025 56.287 -0.159 0.000 0.929 551 K CB -0.350 32.014 32.500 -0.227 0.000 0.713 551 K HN 0.519 nan 8.250 nan 0.000 0.439 552 Y N -0.469 119.601 120.300 -0.382 0.000 2.030 552 Y HA -0.277 4.273 4.550 -0.000 0.000 0.274 552 Y C 2.073 177.098 175.900 -1.458 0.000 1.153 552 Y CA 1.723 59.281 58.100 -0.904 0.000 1.115 552 Y CB -0.884 37.049 38.460 -0.878 0.000 0.969 552 Y HN 0.212 nan 8.280 nan 0.000 0.488 553 W N 0.357 121.119 121.300 -0.897 0.000 2.424 553 W HA -0.167 4.493 4.660 -0.000 0.000 0.264 553 W C 2.562 178.913 176.519 -0.280 0.000 1.229 553 W CA 1.605 58.591 57.345 -0.598 0.000 1.208 553 W CB -0.489 28.720 29.460 -0.418 0.000 1.127 553 W HN 0.211 nan 8.180 nan 0.000 0.588 554 Q N 0.033 119.756 119.800 -0.129 0.000 2.096 554 Q HA -0.121 4.219 4.340 -0.000 0.000 0.197 554 Q C 2.293 178.266 176.000 -0.045 0.000 0.964 554 Q CA 1.619 57.397 55.803 -0.041 0.000 0.838 554 Q CB -0.224 28.493 28.738 -0.035 0.000 0.906 554 Q HN 0.232 nan 8.270 nan 0.000 0.444 555 A N 0.688 123.418 122.820 -0.151 0.000 1.854 555 A HA -0.144 4.176 4.320 -0.000 0.000 0.214 555 A C 1.746 179.341 177.584 0.019 0.000 1.192 555 A CA 1.020 52.983 52.037 -0.124 0.000 0.611 555 A CB -0.918 17.925 19.000 -0.261 0.000 0.832 555 A HN 0.412 nan 8.150 nan 0.000 0.442 556 F N 0.368 120.141 119.950 -0.296 0.000 2.063 556 F HA -0.251 4.276 4.527 -0.000 0.000 0.297 556 F C 2.503 178.197 175.800 -0.176 0.000 1.099 556 F CA 1.770 59.547 58.000 -0.372 0.000 1.220 556 F CB -1.130 37.414 39.000 -0.761 0.000 0.972 556 F HN 0.221 nan 8.300 nan 0.000 0.487 557 R N -0.439 120.140 120.500 0.131 0.000 2.189 557 R HA -0.159 4.181 4.340 -0.000 0.000 0.223 557 R C 2.090 178.449 176.300 0.099 0.000 1.092 557 R CA 1.144 57.306 56.100 0.105 0.000 0.989 557 R CB -0.295 30.069 30.300 0.106 0.000 0.876 557 R HN 0.470 nan 8.270 nan 0.000 0.457 558 Q N -0.766 119.130 119.800 0.159 0.000 2.396 558 Q HA 0.030 4.370 4.340 -0.000 0.000 0.220 558 Q C -0.616 175.535 176.000 0.252 0.000 0.900 558 Q CA 0.284 56.205 55.803 0.195 0.000 0.925 558 Q CB 0.679 29.564 28.738 0.246 0.000 1.065 558 Q HN 0.139 nan 8.270 nan 0.000 0.535 559 Y N 0.652 120.946 120.300 -0.009 0.000 2.342 559 Y HA 0.292 4.842 4.550 -0.000 0.000 0.338 559 Y C -1.769 174.106 175.900 -0.042 0.000 0.965 559 Y CA -3.040 55.048 58.100 -0.020 0.000 1.159 559 Y CB 1.305 39.757 38.460 -0.012 0.000 1.157 559 Y HN 0.108 nan 8.280 nan 0.000 0.486 560 P HA -0.207 nan 4.420 nan 0.000 0.217 560 P C 1.093 178.391 177.300 -0.004 0.000 1.151 560 P CA 1.719 64.825 63.100 0.009 0.000 0.849 560 P CB 0.368 32.056 31.700 -0.019 0.000 0.787 561 R N -1.276 119.240 120.500 0.027 0.000 2.317 561 R HA 0.206 4.546 4.340 -0.000 0.000 0.208 561 R C 0.352 176.619 176.300 -0.055 0.000 0.914 561 R CA -0.092 56.001 56.100 -0.011 0.000 1.060 561 R CB -0.181 30.124 30.300 0.008 0.000 1.015 561 R HN 0.271 nan 8.270 nan 0.000 0.498 562 L N 1.586 122.778 121.223 -0.052 0.000 2.257 562 L HA 0.217 4.557 4.340 -0.000 0.000 0.290 562 L C 0.689 177.362 176.870 -0.329 0.000 1.044 562 L CA -0.017 54.715 54.840 -0.180 0.000 0.810 562 L CB 1.601 43.606 42.059 -0.089 0.000 1.193 562 L HN 0.025 nan 8.230 nan 0.000 0.425 563 Q N 2.677 122.197 119.800 -0.466 0.000 2.159 563 Q HA 0.420 4.760 4.340 -0.000 0.000 0.217 563 Q C 0.650 176.206 176.000 -0.739 0.000 0.818 563 Q CA 0.047 55.562 55.803 -0.480 0.000 1.008 563 Q CB 1.550 30.128 28.738 -0.268 0.000 1.148 563 Q HN 0.925 nan 8.270 nan 0.000 0.491 564 G N -0.218 107.753 108.800 -1.381 0.000 2.280 564 G HA2 0.303 4.263 3.960 -0.000 0.000 0.277 564 G HA3 0.303 4.263 3.960 -0.000 0.000 0.277 564 G C -0.738 173.396 174.900 -1.277 0.000 1.288 564 G CA -0.583 43.566 45.100 -1.586 0.000 1.075 564 G HN 0.500 nan 8.290 nan 0.000 0.480 565 G N -2.002 106.316 108.800 -0.803 0.000 2.349 565 G HA2 0.633 4.593 3.960 -0.000 0.000 0.294 565 G HA3 0.633 4.593 3.960 -0.000 0.000 0.294 565 G C -1.861 172.821 174.900 -0.363 0.000 1.380 565 G CA -0.488 44.281 45.100 -0.552 0.000 0.811 565 G HN 1.041 nan 8.290 nan 0.000 0.519 566 F N 0.533 120.687 119.950 0.340 0.000 2.388 566 F HA 0.550 5.077 4.527 -0.000 0.000 0.358 566 F C 0.764 176.924 175.800 0.600 0.000 1.122 566 F CA -0.748 57.514 58.000 0.437 0.000 1.056 566 F CB 2.009 41.176 39.000 0.278 0.000 1.155 566 F HN 0.225 nan 8.300 nan 0.000 0.461 567 V N 3.891 124.175 119.914 0.616 0.000 2.686 567 V HA -0.017 4.103 4.120 -0.000 0.000 0.295 567 V C -0.443 175.887 176.094 0.393 0.000 1.055 567 V CA -0.482 62.027 62.300 0.347 0.000 1.050 567 V CB 1.125 33.111 31.823 0.273 0.000 0.984 567 V HN 0.776 nan 8.190 nan 0.000 0.482 568 W N 6.626 128.078 121.300 0.252 0.000 2.278 568 W HA 0.427 5.087 4.660 -0.000 0.000 0.317 568 W C -1.057 175.577 176.519 0.191 0.000 1.030 568 W CA -0.809 56.720 57.345 0.307 0.000 1.334 568 W CB 1.353 31.134 29.460 0.535 0.000 1.215 568 W HN 0.855 nan 8.180 nan 0.000 0.405 569 D N 2.613 122.654 120.400 -0.598 0.000 2.758 569 D HA 0.152 4.792 4.640 -0.000 0.000 0.279 569 D C 0.835 176.968 176.300 -0.278 0.000 1.111 569 D CA -0.595 53.032 54.000 -0.622 0.000 1.109 569 D CB 0.334 40.454 40.800 -1.133 0.000 1.428 569 D HN 0.470 nan 8.370 nan 0.000 0.586 570 W N 0.367 121.401 121.300 -0.443 0.000 2.418 570 W HA 0.055 4.715 4.660 -0.000 0.000 0.319 570 W C -0.039 176.253 176.519 -0.378 0.000 1.183 570 W CA 0.888 58.007 57.345 -0.377 0.000 1.327 570 W CB 0.255 29.537 29.460 -0.298 0.000 1.163 570 W HN 0.155 nan 8.180 nan 0.000 0.479 571 V N 0.785 120.577 119.914 -0.204 0.000 2.769 571 V HA 0.297 4.417 4.120 -0.000 0.000 0.312 571 V C -0.413 175.448 176.094 -0.388 0.000 1.058 571 V CA -1.022 61.047 62.300 -0.386 0.000 0.952 571 V CB 1.356 33.043 31.823 -0.227 0.000 1.019 571 V HN -0.085 nan 8.190 nan 0.000 0.445 572 D N 2.164 122.316 120.400 -0.413 0.000 2.348 572 D HA 0.143 4.783 4.640 -0.000 0.000 0.253 572 D C -0.055 175.991 176.300 -0.423 0.000 1.161 572 D CA 0.395 54.180 54.000 -0.359 0.000 0.876 572 D CB 1.497 42.154 40.800 -0.239 0.000 1.160 572 D HN 0.637 nan 8.370 nan 0.000 0.459 573 Q N 1.617 121.153 119.800 -0.440 0.000 3.150 573 Q HA 0.115 4.455 4.340 -0.000 0.000 0.297 573 Q C -0.299 175.561 176.000 -0.232 0.000 1.382 573 Q CA -0.387 55.035 55.803 -0.634 0.000 1.059 573 Q CB 0.244 28.742 28.738 -0.399 0.000 1.559 573 Q HN 0.355 nan 8.270 nan 0.000 0.548 574 S N 0.485 116.079 115.700 -0.177 0.000 2.525 574 S HA 0.618 5.088 4.470 -0.000 0.000 0.290 574 S C -0.297 174.447 174.600 0.240 0.000 1.152 574 S CA -0.791 57.491 58.200 0.137 0.000 1.072 574 S CB 1.210 64.474 63.200 0.105 0.000 1.027 574 S HN 0.366 nan 8.310 nan 0.000 0.500 575 L N 2.757 124.148 121.223 0.281 0.000 2.334 575 L HA 0.574 4.914 4.340 -0.000 0.000 0.273 575 L C -0.171 176.665 176.870 -0.057 0.000 1.013 575 L CA -1.060 53.843 54.840 0.104 0.000 0.816 575 L CB 1.467 43.484 42.059 -0.069 0.000 1.278 575 L HN 0.650 nan 8.230 nan 0.000 0.431 576 I N 2.326 122.808 120.570 -0.145 0.000 2.474 576 I HA 0.168 4.338 4.170 -0.000 0.000 0.287 576 I C 0.261 176.017 176.117 -0.601 0.000 1.048 576 I CA 0.339 61.428 61.300 -0.353 0.000 1.383 576 I CB 0.719 38.544 38.000 -0.292 0.000 1.412 576 I HN 0.614 nan 8.210 nan 0.000 0.531 577 K N 4.835 124.591 120.400 -1.074 0.000 2.149 577 K HA 0.672 4.992 4.320 -0.000 0.000 0.241 577 K C -1.770 173.989 176.600 -1.403 0.000 1.083 577 K CA -0.843 54.670 56.287 -1.289 0.000 0.885 577 K CB 2.017 33.425 32.500 -1.820 0.000 1.374 577 K HN 0.286 nan 8.250 nan 0.000 0.511 578 Y N 0.084 120.207 120.300 -0.296 0.000 2.558 578 Y HA 0.167 4.717 4.550 -0.000 0.000 0.333 578 Y C -1.129 174.944 175.900 0.287 0.000 1.125 578 Y CA -1.515 56.647 58.100 0.104 0.000 1.039 578 Y CB 1.248 39.727 38.460 0.033 0.000 1.331 578 Y HN 0.626 nan 8.280 nan 0.000 0.456 579 D N -1.259 119.411 120.400 0.451 0.000 2.442 579 D HA 0.338 4.978 4.640 -0.000 0.000 0.254 579 D C -0.743 175.653 176.300 0.160 0.000 1.069 579 D CA -1.168 52.998 54.000 0.277 0.000 1.017 579 D CB 0.642 41.550 40.800 0.181 0.000 1.172 579 D HN 0.590 nan 8.370 nan 0.000 0.561 580 E N -0.111 120.141 120.200 0.087 0.000 2.574 580 E HA 0.098 4.448 4.350 -0.000 0.000 0.306 580 E C -0.367 176.257 176.600 0.041 0.000 1.166 580 E CA -0.055 56.374 56.400 0.048 0.000 1.263 580 E CB -0.676 29.036 29.700 0.020 0.000 1.078 580 E HN 0.301 nan 8.360 nan 0.000 0.481 581 N N 0.176 118.912 118.700 0.060 0.000 2.034 581 N HA 0.007 4.747 4.740 -0.000 0.000 0.286 581 N C 0.770 176.322 175.510 0.072 0.000 1.316 581 N CA 0.668 53.750 53.050 0.054 0.000 0.854 581 N CB 0.591 39.110 38.487 0.054 0.000 1.582 581 N HN 0.439 nan 8.380 nan 0.000 0.719 582 G N 1.240 110.103 108.800 0.105 0.000 2.143 582 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.249 582 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.249 582 G C -0.284 174.748 174.900 0.220 0.000 0.981 582 G CA 0.415 45.579 45.100 0.107 0.000 0.665 582 G HN 0.650 nan 8.290 nan 0.000 0.528 583 N N 0.590 119.444 118.700 0.257 0.000 2.487 583 N HA 0.689 5.429 4.740 -0.000 0.000 0.292 583 N C -2.861 172.863 175.510 0.357 0.000 1.108 583 N CA -2.027 51.191 53.050 0.280 0.000 0.956 583 N CB 2.195 40.787 38.487 0.176 0.000 1.176 583 N HN 0.099 nan 8.380 nan 0.000 0.484 584 P HA 0.176 nan 4.420 nan 0.000 0.277 584 P C -0.819 176.499 177.300 0.030 0.000 1.240 584 P CA -0.395 62.610 63.100 -0.158 0.000 0.798 584 P CB 0.379 31.966 31.700 -0.189 0.000 0.979 585 W N -0.701 120.362 121.300 -0.395 0.000 3.372 585 W HA 0.358 5.018 4.660 -0.000 0.000 0.315 585 W C -1.535 174.795 176.519 -0.316 0.000 1.223 585 W CA -0.957 56.168 57.345 -0.367 0.000 1.202 585 W CB 0.229 29.327 29.460 -0.603 0.000 1.367 585 W HN 0.104 nan 8.180 nan 0.000 0.531 586 S N 2.254 117.995 115.700 0.068 0.000 2.429 586 S HA 0.459 4.929 4.470 -0.000 0.000 0.292 586 S C 0.373 175.115 174.600 0.236 0.000 1.183 586 S CA 0.057 58.309 58.200 0.086 0.000 1.088 586 S CB 0.249 63.536 63.200 0.145 0.000 1.018 586 S HN 0.595 nan 8.310 nan 0.000 0.511 587 A N 3.325 126.152 122.820 0.013 0.000 2.306 587 A HA 0.859 5.179 4.320 -0.000 0.000 0.330 587 A C -0.483 177.335 177.584 0.389 0.000 1.146 587 A CA -0.737 51.351 52.037 0.085 0.000 0.827 587 A CB 0.634 19.390 19.000 -0.405 0.000 1.178 587 A HN 0.829 nan 8.150 nan 0.000 0.490 588 Y N -0.758 119.801 120.300 0.431 0.000 2.944 588 Y HA 0.763 5.313 4.550 -0.000 0.000 0.312 588 Y C 0.582 176.716 175.900 0.390 0.000 1.417 588 Y CA -1.322 56.961 58.100 0.305 0.000 1.105 588 Y CB 0.008 38.482 38.460 0.024 0.000 1.364 588 Y HN 0.905 nan 8.280 nan 0.000 0.540 589 G N -0.084 108.974 108.800 0.430 0.000 2.265 589 G HA2 0.378 4.338 3.960 -0.000 0.000 0.240 589 G HA3 0.378 4.338 3.960 -0.000 0.000 0.240 589 G C 0.959 176.144 174.900 0.474 0.000 1.270 589 G CA 0.358 45.696 45.100 0.397 0.000 0.901 589 G HN 1.998 nan 8.290 nan 0.000 0.507 590 G N 2.295 111.373 108.800 0.463 0.000 2.234 590 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 590 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 590 G C 0.823 175.895 174.900 0.287 0.000 0.987 590 G CA 0.602 45.912 45.100 0.349 0.000 0.625 590 G HN 0.667 nan 8.290 nan 0.000 0.532 591 D N -0.307 120.260 120.400 0.278 0.000 2.379 591 D HA 0.206 4.846 4.640 -0.000 0.000 0.243 591 D C 1.086 177.263 176.300 -0.204 0.000 1.088 591 D CA 0.482 54.503 54.000 0.034 0.000 0.925 591 D CB -0.255 40.497 40.800 -0.081 0.000 0.888 591 D HN 0.495 nan 8.370 nan 0.000 0.529 592 F N -1.295 118.740 119.950 0.140 0.000 2.838 592 F HA 0.275 4.802 4.527 -0.000 0.000 0.329 592 F C 1.695 177.553 175.800 0.097 0.000 1.116 592 F CA -0.197 57.852 58.000 0.081 0.000 1.155 592 F CB 0.976 39.996 39.000 0.033 0.000 1.106 592 F HN -0.025 nan 8.300 nan 0.000 0.538 593 G N 0.952 109.900 108.800 0.247 0.000 2.141 593 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.242 593 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.242 593 G C -0.300 174.731 174.900 0.219 0.000 0.982 593 G CA 0.050 45.264 45.100 0.191 0.000 0.662 593 G HN 0.430 nan 8.290 nan 0.000 0.527 594 D N 1.064 121.639 120.400 0.293 0.000 2.371 594 D HA 0.422 5.062 4.640 -0.000 0.000 0.256 594 D C -0.111 176.332 176.300 0.238 0.000 1.193 594 D CA 0.482 54.657 54.000 0.291 0.000 0.881 594 D CB 1.140 42.174 40.800 0.389 0.000 1.143 594 D HN 0.118 nan 8.370 nan 0.000 0.473 595 T N 2.340 117.008 114.554 0.190 0.000 2.916 595 T HA 0.463 4.813 4.350 -0.000 0.000 0.298 595 T C -2.227 172.541 174.700 0.114 0.000 1.031 595 T CA -1.054 61.131 62.100 0.142 0.000 0.993 595 T CB 1.922 70.863 68.868 0.122 0.000 1.045 595 T HN 0.338 nan 8.240 nan 0.000 0.454 596 P HA 0.526 nan 4.420 nan 0.000 0.279 596 P C -0.876 176.471 177.300 0.077 0.000 1.282 596 P CA -0.665 62.473 63.100 0.062 0.000 0.788 596 P CB 0.461 32.169 31.700 0.014 0.000 1.139 597 N N -2.527 116.225 118.700 0.086 0.000 2.610 597 N HA 0.274 5.014 4.740 -0.000 0.000 0.264 597 N C -1.159 174.423 175.510 0.120 0.000 1.348 597 N CA -0.738 52.392 53.050 0.132 0.000 0.819 597 N CB 1.131 39.772 38.487 0.257 0.000 1.521 597 N HN 0.085 nan 8.380 nan 0.000 0.497 598 D N 0.156 120.678 120.400 0.204 0.000 2.772 598 D HA 0.140 4.780 4.640 -0.000 0.000 0.272 598 D C 0.388 176.960 176.300 0.454 0.000 1.314 598 D CA -0.141 54.019 54.000 0.267 0.000 0.835 598 D CB 0.350 41.174 40.800 0.039 0.000 1.080 598 D HN 0.697 nan 8.370 nan 0.000 0.482 599 R N 0.562 121.281 120.500 0.365 0.000 3.488 599 R HA -0.405 3.935 4.340 -0.000 0.000 0.590 599 R C 1.164 177.467 176.300 0.004 0.000 0.241 599 R CA 1.862 58.157 56.100 0.325 0.000 1.822 599 R CB -1.361 29.049 30.300 0.184 0.000 0.845 599 R HN 0.084 nan 8.270 nan 0.000 0.628 600 Q N 0.242 119.763 119.800 -0.465 0.000 2.291 600 Q HA 0.035 4.375 4.340 -0.000 0.000 0.205 600 Q C 2.022 177.718 176.000 -0.506 0.000 0.970 600 Q CA 1.857 57.182 55.803 -0.797 0.000 0.876 600 Q CB -0.274 27.788 28.738 -1.127 0.000 0.935 600 Q HN 0.495 nan 8.270 nan 0.000 0.455 601 F N 1.201 121.024 119.950 -0.212 0.000 2.323 601 F HA -0.224 4.303 4.527 -0.000 0.000 0.301 601 F C 1.857 177.614 175.800 -0.072 0.000 1.060 601 F CA 0.920 58.894 58.000 -0.044 0.000 1.398 601 F CB -0.452 38.608 39.000 0.099 0.000 1.075 601 F HN 0.382 nan 8.300 nan 0.000 0.540 602 C N -1.340 117.749 119.300 -0.352 0.000 2.573 602 C HA 0.376 4.836 4.460 -0.000 0.000 0.273 602 C C 0.730 175.496 174.990 -0.374 0.000 1.346 602 C CA -0.623 58.059 59.018 -0.561 0.000 1.702 602 C CB -1.901 24.880 27.740 -1.599 0.000 1.751 602 C HN 0.241 nan 8.230 nan 0.000 0.583 603 M N 3.276 122.687 119.600 -0.316 0.000 2.046 603 M HA 0.351 4.831 4.480 -0.000 0.000 0.309 603 M C -0.348 175.767 176.300 -0.309 0.000 0.935 603 M CA 0.204 55.323 55.300 -0.300 0.000 0.915 603 M CB 0.699 33.138 32.600 -0.270 0.000 1.474 603 M HN 0.321 nan 8.290 nan 0.000 0.415 604 N N 1.984 120.499 118.700 -0.309 0.000 2.471 604 N HA 0.179 4.919 4.740 -0.000 0.000 0.270 604 N C -0.081 175.165 175.510 -0.439 0.000 1.490 604 N CA -0.275 52.561 53.050 -0.356 0.000 0.850 604 N CB 1.366 39.750 38.487 -0.172 0.000 1.411 604 N HN 0.694 nan 8.380 nan 0.000 0.488 605 G N 0.140 108.615 108.800 -0.542 0.000 2.511 605 G HA2 0.527 4.487 3.960 -0.000 0.000 0.316 605 G HA3 0.527 4.487 3.960 -0.000 0.000 0.316 605 G C 0.683 175.054 174.900 -0.881 0.000 1.210 605 G CA -0.538 44.168 45.100 -0.657 0.000 0.969 605 G HN 0.107 nan 8.290 nan 0.000 0.492 606 L N -0.272 120.498 121.223 -0.754 0.000 2.607 606 L HA 0.238 4.578 4.340 -0.000 0.000 0.228 606 L C 0.364 176.741 176.870 -0.822 0.000 1.123 606 L CA 0.127 54.570 54.840 -0.661 0.000 0.890 606 L CB 0.110 41.951 42.059 -0.363 0.000 1.103 606 L HN 0.369 nan 8.230 nan 0.000 0.468 607 V N -5.036 114.244 119.914 -1.056 0.000 3.087 607 V HA 0.491 4.611 4.120 -0.000 0.000 0.306 607 V C -0.732 174.964 176.094 -0.663 0.000 1.187 607 V CA -1.057 60.764 62.300 -0.799 0.000 0.999 607 V CB 1.919 33.234 31.823 -0.847 0.000 1.049 607 V HN -0.120 nan 8.190 nan 0.000 0.431 608 F N 2.438 122.282 119.950 -0.177 0.000 2.459 608 F HA 0.627 5.154 4.527 -0.000 0.000 0.346 608 F C 1.887 177.566 175.800 -0.202 0.000 1.128 608 F CA 0.630 58.571 58.000 -0.098 0.000 1.268 608 F CB 1.444 40.418 39.000 -0.044 0.000 1.161 608 F HN 0.891 nan 8.300 nan 0.000 0.583 609 A N 1.509 124.340 122.820 0.018 0.000 2.171 609 A HA -0.277 4.043 4.320 -0.000 0.000 0.223 609 A C 1.631 179.167 177.584 -0.080 0.000 1.166 609 A CA 2.169 54.162 52.037 -0.073 0.000 0.668 609 A CB -0.982 17.990 19.000 -0.047 0.000 0.807 609 A HN 0.794 nan 8.150 nan 0.000 0.475 610 D N -3.505 116.878 120.400 -0.028 0.000 2.340 610 D HA 0.197 4.837 4.640 -0.000 0.000 0.217 610 D C 0.548 176.820 176.300 -0.046 0.000 1.081 610 D CA -0.113 53.850 54.000 -0.061 0.000 0.842 610 D CB -0.059 40.708 40.800 -0.056 0.000 0.934 610 D HN 0.170 nan 8.370 nan 0.000 0.511 611 R N -0.722 119.741 120.500 -0.062 0.000 3.762 611 R HA -0.106 4.234 4.340 -0.000 0.000 0.328 611 R C -0.529 175.744 176.300 -0.045 0.000 1.164 611 R CA 1.070 57.117 56.100 -0.088 0.000 0.861 611 R CB -3.295 26.993 30.300 -0.021 0.000 1.408 611 R HN 0.507 nan 8.270 nan 0.000 0.502 612 T N -2.114 112.458 114.554 0.031 0.000 2.771 612 T HA 0.700 5.050 4.350 -0.000 0.000 0.281 612 T C -2.487 172.335 174.700 0.204 0.000 0.982 612 T CA -2.392 59.763 62.100 0.091 0.000 0.978 612 T CB 2.499 71.400 68.868 0.054 0.000 0.930 612 T HN -0.207 nan 8.240 nan 0.000 0.447 613 P HA 0.097 nan 4.420 nan 0.000 0.266 613 P C 0.044 177.426 177.300 0.138 0.000 1.195 613 P CA -0.044 63.072 63.100 0.026 0.000 0.768 613 P CB 0.327 32.029 31.700 0.003 0.000 0.838 614 H N 3.018 121.944 119.070 -0.240 0.000 2.505 614 H HA 0.150 4.706 4.556 -0.000 0.000 0.358 614 H C -1.260 173.977 175.328 -0.152 0.000 1.304 614 H CA -1.888 54.001 56.048 -0.266 0.000 1.393 614 H CB 0.591 30.130 29.762 -0.372 0.000 1.591 614 H HN 0.299 nan 8.280 nan 0.000 0.595 615 P HA -0.045 nan 4.420 nan 0.000 0.219 615 P C 1.229 178.513 177.300 -0.028 0.000 1.154 615 P CA 1.239 64.314 63.100 -0.042 0.000 0.826 615 P CB -0.039 31.620 31.700 -0.069 0.000 0.795 616 A N 0.642 123.442 122.820 -0.034 0.000 1.915 616 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 616 A C 2.145 179.674 177.584 -0.092 0.000 1.198 616 A CA 2.036 54.014 52.037 -0.097 0.000 0.647 616 A CB -1.868 17.031 19.000 -0.169 0.000 0.825 616 A HN 0.196 nan 8.150 nan 0.000 0.456 617 L N -0.230 120.957 121.223 -0.060 0.000 2.171 617 L HA -0.242 4.098 4.340 -0.000 0.000 0.216 617 L C 2.351 179.264 176.870 0.073 0.000 1.084 617 L CA 2.846 57.694 54.840 0.013 0.000 0.771 617 L CB -0.802 41.258 42.059 0.001 0.000 0.890 617 L HN 0.446 nan 8.230 nan 0.000 0.437 618 T N -1.548 113.045 114.554 0.065 0.000 2.896 618 T HA -0.128 4.222 4.350 -0.000 0.000 0.263 618 T C 1.650 176.460 174.700 0.183 0.000 1.050 618 T CA 1.159 63.348 62.100 0.147 0.000 1.140 618 T CB -0.044 68.871 68.868 0.079 0.000 0.877 618 T HN 0.400 nan 8.240 nan 0.000 0.457 619 E N 1.773 122.020 120.200 0.078 0.000 2.017 619 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 619 E C 2.321 178.957 176.600 0.060 0.000 0.997 619 E CA 1.360 57.816 56.400 0.093 0.000 0.804 619 E CB -0.603 29.111 29.700 0.023 0.000 0.757 619 E HN 0.357 nan 8.360 nan 0.000 0.448 620 A N 1.384 124.134 122.820 -0.117 0.000 1.884 620 A HA -0.372 3.948 4.320 -0.000 0.000 0.219 620 A C 2.210 179.711 177.584 -0.139 0.000 1.197 620 A CA 2.654 54.608 52.037 -0.137 0.000 0.637 620 A CB -0.946 17.964 19.000 -0.151 0.000 0.827 620 A HN 0.367 nan 8.150 nan 0.000 0.450 621 K N -1.293 119.073 120.400 -0.056 0.000 2.044 621 K HA -0.280 4.040 4.320 -0.000 0.000 0.210 621 K C 2.165 178.621 176.600 -0.240 0.000 1.049 621 K CA 1.911 58.143 56.287 -0.092 0.000 0.927 621 K CB -0.502 32.083 32.500 0.141 0.000 0.713 621 K HN 0.762 nan 8.250 nan 0.000 0.443 622 H N -0.176 118.707 119.070 -0.312 0.000 2.293 622 H HA -0.106 4.450 4.556 -0.000 0.000 0.300 622 H C 1.988 177.022 175.328 -0.489 0.000 1.082 622 H CA 1.686 57.352 56.048 -0.637 0.000 1.308 622 H CB 0.239 29.640 29.762 -0.602 0.000 1.375 622 H HN 0.306 nan 8.280 nan 0.000 0.495 623 Q N 0.886 120.381 119.800 -0.510 0.000 2.096 623 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 623 Q C 1.734 177.211 176.000 -0.871 0.000 0.982 623 Q CA 1.167 56.611 55.803 -0.598 0.000 0.850 623 Q CB -0.424 28.062 28.738 -0.420 0.000 0.901 623 Q HN 0.666 nan 8.270 nan 0.000 0.422 624 Q N 1.659 120.869 119.800 -0.983 0.000 2.319 624 Q HA -0.032 4.308 4.340 -0.000 0.000 0.217 624 Q C -0.091 175.328 176.000 -0.969 0.000 0.924 624 Q CA -0.114 54.987 55.803 -1.170 0.000 0.964 624 Q CB -0.287 27.818 28.738 -1.055 0.000 1.025 624 Q HN 0.393 nan 8.270 nan 0.000 0.465 625 Q N -1.441 117.878 119.800 -0.802 0.000 2.235 625 Q HA 0.172 4.512 4.340 -0.000 0.000 0.250 625 Q C -0.203 175.341 176.000 -0.759 0.000 0.909 625 Q CA -0.595 54.782 55.803 -0.711 0.000 0.910 625 Q CB 0.643 29.117 28.738 -0.439 0.000 1.223 625 Q HN 0.060 nan 8.270 nan 0.000 0.432 626 F N 0.532 120.222 119.950 -0.433 0.000 2.333 626 F HA 0.061 4.588 4.527 -0.000 0.000 0.300 626 F C 0.145 175.360 175.800 -0.975 0.000 1.083 626 F CA 0.535 58.012 58.000 -0.872 0.000 1.395 626 F CB -0.063 37.986 39.000 -1.585 0.000 1.056 626 F HN 0.394 nan 8.300 nan 0.000 0.529 627 F N -0.509 119.349 119.950 -0.153 0.000 2.507 627 F HA 0.540 5.067 4.527 -0.000 0.000 0.327 627 F C 0.095 175.658 175.800 -0.396 0.000 1.068 627 F CA -1.100 56.749 58.000 -0.252 0.000 0.965 627 F CB 1.035 39.911 39.000 -0.208 0.000 1.192 627 F HN -0.336 nan 8.300 nan 0.000 0.476 628 Q N 1.709 121.282 119.800 -0.378 0.000 2.423 628 Q HA 0.540 4.880 4.340 -0.000 0.000 0.278 628 Q C -1.670 174.006 176.000 -0.540 0.000 1.097 628 Q CA -0.766 54.845 55.803 -0.320 0.000 0.809 628 Q CB 3.223 31.884 28.738 -0.127 0.000 1.391 628 Q HN 0.499 nan 8.270 nan 0.000 0.428 629 F N 0.007 120.076 119.950 0.198 0.000 2.563 629 F HA 0.630 5.157 4.527 -0.000 0.000 0.316 629 F C 0.290 176.360 175.800 0.451 0.000 1.076 629 F CA -0.841 57.376 58.000 0.360 0.000 0.921 629 F CB 1.746 41.088 39.000 0.571 0.000 1.209 629 F HN 0.114 nan 8.300 nan 0.000 0.462 630 R N 1.612 122.447 120.500 0.558 0.000 2.673 630 R HA 0.651 4.991 4.340 -0.000 0.000 0.281 630 R C -1.995 174.322 176.300 0.027 0.000 0.991 630 R CA -1.144 55.160 56.100 0.339 0.000 0.896 630 R CB 2.989 33.394 30.300 0.176 0.000 1.201 630 R HN 0.743 nan 8.270 nan 0.000 0.457 631 L N 1.384 122.487 121.223 -0.201 0.000 2.319 631 L HA 0.437 4.777 4.340 -0.000 0.000 0.281 631 L C -1.036 175.653 176.870 -0.301 0.000 1.005 631 L CA 0.068 54.562 54.840 -0.577 0.000 0.828 631 L CB 1.875 43.042 42.059 -1.487 0.000 1.227 631 L HN 0.412 nan 8.230 nan 0.000 0.415 632 S N 3.520 119.081 115.700 -0.232 0.000 2.530 632 S HA 0.732 5.202 4.470 -0.000 0.000 0.322 632 S C 0.537 175.046 174.600 -0.151 0.000 1.085 632 S CA 0.200 58.312 58.200 -0.148 0.000 1.096 632 S CB 1.132 64.279 63.200 -0.089 0.000 0.988 632 S HN 1.227 nan 8.310 nan 0.000 0.466 633 G N 3.853 112.572 108.800 -0.134 0.000 2.602 633 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.310 633 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.310 633 G C 0.384 175.185 174.900 -0.166 0.000 1.183 633 G CA 0.683 45.709 45.100 -0.124 0.000 0.979 633 G HN 0.644 nan 8.290 nan 0.000 0.545 634 Q N 0.859 120.560 119.800 -0.165 0.000 2.194 634 Q HA 0.236 4.576 4.340 -0.000 0.000 0.214 634 Q C -0.065 175.803 176.000 -0.220 0.000 0.838 634 Q CA 0.469 56.150 55.803 -0.203 0.000 0.972 634 Q CB 0.837 29.471 28.738 -0.175 0.000 1.131 634 Q HN 0.546 nan 8.270 nan 0.000 0.498 635 T N 1.728 116.169 114.554 -0.188 0.000 2.743 635 T HA 0.382 4.732 4.350 -0.000 0.000 0.293 635 T C 0.228 174.823 174.700 -0.175 0.000 0.945 635 T CA -0.261 61.747 62.100 -0.153 0.000 1.030 635 T CB 0.949 69.757 68.868 -0.099 0.000 0.912 635 T HN 0.073 nan 8.240 nan 0.000 0.483 636 I N 2.846 123.341 120.570 -0.125 0.000 2.315 636 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 636 I C 0.515 176.660 176.117 0.046 0.000 1.006 636 I CA -0.577 60.692 61.300 -0.052 0.000 1.265 636 I CB 1.106 39.129 38.000 0.038 0.000 1.387 636 I HN 0.712 nan 8.210 nan 0.000 0.475 637 E N 6.810 127.054 120.200 0.074 0.000 2.092 637 E HA 0.423 4.773 4.350 -0.000 0.000 0.271 637 E C -1.398 175.259 176.600 0.096 0.000 0.919 637 E CA -0.598 55.844 56.400 0.071 0.000 0.760 637 E CB 1.602 31.326 29.700 0.040 0.000 1.106 637 E HN 0.472 nan 8.360 nan 0.000 0.408 638 V N 4.115 124.064 119.914 0.059 0.000 2.383 638 V HA 0.274 4.394 4.120 -0.000 0.000 0.275 638 V C 0.186 176.254 176.094 -0.043 0.000 1.036 638 V CA -0.593 61.675 62.300 -0.053 0.000 0.889 638 V CB 1.310 33.135 31.823 0.004 0.000 0.985 638 V HN 0.670 nan 8.190 nan 0.000 0.459 639 T N 3.802 118.296 114.554 -0.100 0.000 2.770 639 T HA 0.308 4.658 4.350 -0.000 0.000 0.283 639 T C 0.122 174.782 174.700 -0.067 0.000 0.988 639 T CA -0.056 62.008 62.100 -0.060 0.000 0.957 639 T CB 1.341 70.171 68.868 -0.063 0.000 0.930 639 T HN 0.761 nan 8.240 nan 0.000 0.443 640 S N 2.478 118.149 115.700 -0.047 0.000 2.565 640 S HA 0.242 4.712 4.470 -0.000 0.000 0.274 640 S C 0.616 175.086 174.600 -0.217 0.000 1.309 640 S CA -0.401 57.711 58.200 -0.148 0.000 1.043 640 S CB 0.556 63.717 63.200 -0.065 0.000 0.939 640 S HN 0.749 nan 8.310 nan 0.000 0.504 641 E N 2.589 122.573 120.200 -0.360 0.000 2.789 641 E HA 0.142 4.491 4.350 -0.000 0.000 0.208 641 E C -1.238 175.153 176.600 -0.349 0.000 0.988 641 E CA -0.129 56.109 56.400 -0.269 0.000 1.092 641 E CB 0.469 30.048 29.700 -0.201 0.000 1.066 641 E HN 0.621 nan 8.360 nan 0.000 0.465 642 Y N 0.359 120.458 120.300 -0.336 0.000 2.310 642 Y HA 0.169 4.719 4.550 -0.000 0.000 0.326 642 Y C 1.252 176.892 175.900 -0.433 0.000 1.151 642 Y CA -0.175 57.656 58.100 -0.449 0.000 1.195 642 Y CB 0.918 39.114 38.460 -0.440 0.000 1.210 642 Y HN -0.004 nan 8.280 nan 0.000 0.483 643 L N 1.221 122.187 121.223 -0.429 0.000 2.221 643 L HA -0.018 4.322 4.340 -0.000 0.000 0.202 643 L C 0.914 177.297 176.870 -0.811 0.000 1.074 643 L CA 0.880 55.227 54.840 -0.822 0.000 0.795 643 L CB -0.118 41.038 42.059 -1.505 0.000 0.960 643 L HN 0.544 nan 8.230 nan 0.000 0.458 644 F N -0.091 119.827 119.950 -0.054 0.000 2.602 644 F HA 0.180 4.707 4.527 -0.000 0.000 0.284 644 F C 1.451 177.200 175.800 -0.085 0.000 1.111 644 F CA -0.657 57.297 58.000 -0.077 0.000 1.405 644 F CB -0.207 38.733 39.000 -0.099 0.000 1.121 644 F HN -0.048 nan 8.300 nan 0.000 0.603 645 R N -0.287 120.186 120.500 -0.046 0.000 2.596 645 R HA 0.507 4.847 4.340 -0.000 0.000 0.267 645 R C -1.032 175.225 176.300 -0.072 0.000 1.026 645 R CA -0.657 55.380 56.100 -0.105 0.000 1.087 645 R CB 0.736 30.861 30.300 -0.291 0.000 1.132 645 R HN 0.119 nan 8.270 nan 0.000 0.531 646 H N -0.240 118.779 119.070 -0.085 0.000 2.544 646 H HA 0.200 4.756 4.556 -0.000 0.000 0.342 646 H C -0.377 174.950 175.328 -0.002 0.000 1.185 646 H CA -0.477 55.562 56.048 -0.016 0.000 1.264 646 H CB 1.543 31.310 29.762 0.009 0.000 1.607 646 H HN 0.746 nan 8.280 nan 0.000 0.550 647 S N 1.898 117.619 115.700 0.036 0.000 3.517 647 S HA 0.017 4.487 4.470 -0.000 0.000 0.284 647 S C -0.351 174.411 174.600 0.270 0.000 1.260 647 S CA -0.322 58.008 58.200 0.216 0.000 0.975 647 S CB -0.606 62.718 63.200 0.207 0.000 1.540 647 S HN 0.686 nan 8.310 nan 0.000 0.506 648 D N 0.785 121.297 120.400 0.188 0.000 2.559 648 D HA 0.186 4.826 4.640 -0.000 0.000 0.234 648 D C 0.190 176.542 176.300 0.087 0.000 1.226 648 D CA -0.514 53.565 54.000 0.131 0.000 0.830 648 D CB -0.245 40.609 40.800 0.090 0.000 1.028 648 D HN 0.456 nan 8.370 nan 0.000 0.492 649 N N 0.081 118.840 118.700 0.099 0.000 2.471 649 N HA 0.082 4.822 4.740 -0.000 0.000 0.264 649 N C -1.452 174.114 175.510 0.094 0.000 1.493 649 N CA -0.043 53.056 53.050 0.082 0.000 0.932 649 N CB 0.387 38.925 38.487 0.084 0.000 1.405 649 N HN -0.034 nan 8.380 nan 0.000 0.505 650 E N 0.167 120.409 120.200 0.069 0.000 2.224 650 E HA 0.536 4.886 4.350 -0.000 0.000 0.265 650 E C -1.465 175.117 176.600 -0.030 0.000 0.878 650 E CA -0.551 55.857 56.400 0.013 0.000 0.759 650 E CB 2.123 31.803 29.700 -0.032 0.000 1.164 650 E HN 0.094 nan 8.360 nan 0.000 0.414 651 L N 3.229 124.402 121.223 -0.082 0.000 2.386 651 L HA 0.552 4.892 4.340 -0.000 0.000 0.271 651 L C -1.713 175.037 176.870 -0.199 0.000 0.993 651 L CA -0.852 53.900 54.840 -0.146 0.000 0.819 651 L CB 1.760 43.689 42.059 -0.218 0.000 1.294 651 L HN 0.554 nan 8.230 nan 0.000 0.414 652 L N 4.285 125.434 121.223 -0.125 0.000 2.287 652 L HA 0.479 4.819 4.340 -0.000 0.000 0.287 652 L C -0.982 175.890 176.870 0.004 0.000 1.022 652 L CA 0.119 54.949 54.840 -0.018 0.000 0.814 652 L CB 0.764 42.899 42.059 0.127 0.000 1.217 652 L HN 0.626 nan 8.230 nan 0.000 0.420 653 H N 5.874 124.994 119.070 0.083 0.000 2.595 653 H HA 0.343 4.899 4.556 -0.000 0.000 0.313 653 H C -0.976 174.399 175.328 0.077 0.000 1.023 653 H CA -0.713 55.335 56.048 0.000 0.000 1.218 653 H CB 0.718 30.459 29.762 -0.035 0.000 1.403 653 H HN 0.685 nan 8.280 nan 0.000 0.477 654 W N 4.359 125.761 121.300 0.170 0.000 2.594 654 W HA 0.675 5.335 4.660 -0.000 0.000 0.365 654 W C -1.407 175.166 176.519 0.089 0.000 1.196 654 W CA -1.229 56.188 57.345 0.120 0.000 1.258 654 W CB 1.657 31.180 29.460 0.106 0.000 1.405 654 W HN 0.384 nan 8.180 nan 0.000 0.640 655 M N 2.807 122.755 119.600 0.580 0.000 2.363 655 M HA 0.209 4.689 4.480 -0.000 0.000 0.256 655 M C -2.404 174.125 176.300 0.382 0.000 1.005 655 M CA -0.211 55.246 55.300 0.262 0.000 0.890 655 M CB 1.328 33.925 32.600 -0.006 0.000 2.101 655 M HN 0.299 nan 8.290 nan 0.000 0.476 656 V N 3.573 123.733 119.914 0.409 0.000 2.539 656 V HA 0.963 5.083 4.120 -0.000 0.000 0.292 656 V C 0.177 176.386 176.094 0.191 0.000 1.045 656 V CA -0.342 62.138 62.300 0.300 0.000 0.945 656 V CB 1.388 33.375 31.823 0.273 0.000 0.993 656 V HN 0.901 nan 8.190 nan 0.000 0.464 657 A N 4.307 127.244 122.820 0.195 0.000 2.465 657 A HA 0.721 5.041 4.320 -0.000 0.000 0.292 657 A C -1.302 176.393 177.584 0.184 0.000 1.041 657 A CA -0.492 51.631 52.037 0.142 0.000 0.718 657 A CB 1.338 20.390 19.000 0.087 0.000 1.266 657 A HN 0.872 nan 8.150 nan 0.000 0.403 658 L N 2.413 123.713 121.223 0.128 0.000 2.265 658 L HA 0.399 4.739 4.340 -0.000 0.000 0.288 658 L C 0.053 177.008 176.870 0.142 0.000 1.058 658 L CA 0.146 55.072 54.840 0.142 0.000 0.809 658 L CB 0.356 42.472 42.059 0.095 0.000 1.179 658 L HN 0.820 nan 8.230 nan 0.000 0.429 659 D N 4.909 125.449 120.400 0.232 0.000 2.733 659 D HA -0.269 4.371 4.640 -0.000 0.000 0.228 659 D C 1.047 177.381 176.300 0.056 0.000 1.182 659 D CA 1.120 55.256 54.000 0.226 0.000 0.620 659 D CB -0.752 40.160 40.800 0.186 0.000 1.027 659 D HN 1.172 nan 8.370 nan 0.000 0.415 660 G N -0.685 108.112 108.800 -0.005 0.000 2.258 660 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.233 660 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.233 660 G C 0.296 175.123 174.900 -0.121 0.000 1.006 660 G CA 0.275 45.266 45.100 -0.182 0.000 0.620 660 G HN 0.377 nan 8.290 nan 0.000 0.511 661 K N 2.323 122.700 120.400 -0.038 0.000 2.312 661 K HA 0.518 4.838 4.320 -0.000 0.000 0.287 661 K C -2.543 174.054 176.600 -0.005 0.000 1.062 661 K CA -1.670 54.601 56.287 -0.026 0.000 0.934 661 K CB 1.372 33.871 32.500 -0.001 0.000 1.027 661 K HN 0.108 nan 8.250 nan 0.000 0.478 662 P HA 0.122 nan 4.420 nan 0.000 0.283 662 P C -0.188 177.115 177.300 0.005 0.000 1.412 662 P CA -0.173 62.918 63.100 -0.016 0.000 0.912 662 P CB 0.594 32.259 31.700 -0.058 0.000 1.132 663 L N 1.687 122.936 121.223 0.043 0.000 2.162 663 L HA 0.305 4.645 4.340 -0.000 0.000 0.205 663 L C 1.063 177.974 176.870 0.069 0.000 1.086 663 L CA 0.738 55.611 54.840 0.055 0.000 0.778 663 L CB -0.235 41.869 42.059 0.075 0.000 0.928 663 L HN 0.271 nan 8.230 nan 0.000 0.446 664 A N -0.889 121.993 122.820 0.103 0.000 2.513 664 A HA 0.695 5.015 4.320 -0.000 0.000 0.296 664 A C -0.873 176.684 177.584 -0.046 0.000 1.052 664 A CA -0.285 51.825 52.037 0.120 0.000 0.714 664 A CB 1.553 20.758 19.000 0.342 0.000 1.279 664 A HN -0.076 nan 8.150 nan 0.000 0.397 665 S N 0.373 115.825 115.700 -0.413 0.000 2.561 665 S HA 0.811 5.281 4.470 -0.000 0.000 0.303 665 S C 0.158 173.958 174.600 -1.333 0.000 1.110 665 S CA -0.062 57.627 58.200 -0.852 0.000 1.034 665 S CB 1.770 64.698 63.200 -0.455 0.000 1.010 665 S HN 1.478 nan 8.310 nan 0.000 0.482 666 G N 0.960 108.241 108.800 -2.530 0.000 2.600 666 G HA2 0.684 4.644 3.960 -0.000 0.000 0.303 666 G HA3 0.684 4.644 3.960 -0.000 0.000 0.303 666 G C -1.432 173.031 174.900 -0.728 0.000 1.253 666 G CA -0.573 43.604 45.100 -1.539 0.000 0.974 666 G HN 0.571 nan 8.290 nan 0.000 0.483 667 E N 0.086 120.225 120.200 -0.101 0.000 2.331 667 E HA 0.420 4.770 4.350 -0.000 0.000 0.243 667 E C -1.071 175.609 176.600 0.134 0.000 0.925 667 E CA -0.293 56.160 56.400 0.088 0.000 0.760 667 E CB 2.039 31.798 29.700 0.097 0.000 1.254 667 E HN 0.176 nan 8.360 nan 0.000 0.419 668 V N 4.793 124.809 119.914 0.171 0.000 2.547 668 V HA 0.458 4.578 4.120 -0.000 0.000 0.299 668 V C -2.254 173.882 176.094 0.071 0.000 1.040 668 V CA -1.968 60.419 62.300 0.144 0.000 0.913 668 V CB 1.829 33.763 31.823 0.186 0.000 0.992 668 V HN 0.520 nan 8.190 nan 0.000 0.449 669 P HA 0.407 nan 4.420 nan 0.000 0.292 669 P C -0.924 176.408 177.300 0.052 0.000 1.283 669 P CA -0.511 62.610 63.100 0.035 0.000 0.835 669 P CB 1.074 32.797 31.700 0.038 0.000 1.017 670 L N 2.767 124.012 121.223 0.037 0.000 2.349 670 L HA 0.315 4.655 4.340 -0.000 0.000 0.275 670 L C 0.412 177.355 176.870 0.121 0.000 1.115 670 L CA 0.440 55.310 54.840 0.051 0.000 0.820 670 L CB 0.381 42.420 42.059 -0.033 0.000 1.135 670 L HN 0.335 nan 8.230 nan 0.000 0.445 671 D N 2.967 123.455 120.400 0.148 0.000 2.330 671 D HA 0.417 5.057 4.640 -0.000 0.000 0.249 671 D C -1.323 175.088 176.300 0.184 0.000 1.306 671 D CA -0.091 54.086 54.000 0.295 0.000 0.956 671 D CB 1.266 42.211 40.800 0.241 0.000 1.261 671 D HN 0.096 nan 8.370 nan 0.000 0.544 672 V N 1.001 120.801 119.914 -0.189 0.000 2.686 672 V HA 0.854 4.974 4.120 -0.000 0.000 0.306 672 V C 0.397 175.974 176.094 -0.863 0.000 1.065 672 V CA -1.336 60.764 62.300 -0.332 0.000 0.894 672 V CB 1.431 33.237 31.823 -0.028 0.000 1.004 672 V HN 0.543 nan 8.190 nan 0.000 0.424 673 A N 5.846 128.459 122.820 -0.344 0.000 2.340 673 A HA 0.819 5.139 4.320 -0.000 0.000 0.268 673 A C -2.283 175.233 177.584 -0.113 0.000 1.100 673 A CA -1.596 50.344 52.037 -0.162 0.000 0.803 673 A CB 0.046 19.097 19.000 0.085 0.000 1.043 673 A HN 0.696 nan 8.150 nan 0.000 0.488 674 P HA -0.040 nan 4.420 nan 0.000 0.264 674 P C -0.381 176.875 177.300 -0.073 0.000 1.179 674 P CA 0.646 63.700 63.100 -0.076 0.000 0.763 674 P CB 0.185 31.829 31.700 -0.092 0.000 0.806 675 Q N -1.411 118.334 119.800 -0.092 0.000 2.439 675 Q HA -0.202 4.138 4.340 -0.000 0.000 0.247 675 Q C 0.805 176.775 176.000 -0.049 0.000 0.899 675 Q CA 1.273 57.029 55.803 -0.080 0.000 1.201 675 Q CB -2.347 26.342 28.738 -0.081 0.000 1.608 675 Q HN 0.785 nan 8.270 nan 0.000 0.563 676 G N 0.496 109.270 108.800 -0.043 0.000 2.568 676 G HA2 0.614 4.574 3.960 -0.000 0.000 0.293 676 G HA3 0.614 4.574 3.960 -0.000 0.000 0.293 676 G C -0.696 174.197 174.900 -0.012 0.000 1.347 676 G CA -0.542 44.546 45.100 -0.020 0.000 1.039 676 G HN -0.009 nan 8.290 nan 0.000 0.523 677 K N -0.451 119.952 120.400 0.005 0.000 2.513 677 K HA 0.326 4.646 4.320 -0.000 0.000 0.251 677 K C -1.048 175.570 176.600 0.029 0.000 0.939 677 K CA -0.456 55.839 56.287 0.013 0.000 0.793 677 K CB 2.384 34.890 32.500 0.010 0.000 1.241 677 K HN 0.548 nan 8.250 nan 0.000 0.431 678 Q N 3.980 123.804 119.800 0.039 0.000 2.345 678 Q HA 0.498 4.838 4.340 -0.000 0.000 0.268 678 Q C -1.318 174.712 176.000 0.049 0.000 1.054 678 Q CA -0.816 55.018 55.803 0.051 0.000 0.835 678 Q CB 1.381 30.160 28.738 0.068 0.000 1.339 678 Q HN 0.532 nan 8.270 nan 0.000 0.447 679 L N 4.181 125.429 121.223 0.043 0.000 2.322 679 L HA 0.548 4.888 4.340 -0.000 0.000 0.279 679 L C -0.613 176.277 176.870 0.034 0.000 1.036 679 L CA -0.783 54.076 54.840 0.032 0.000 0.807 679 L CB 1.496 43.563 42.059 0.014 0.000 1.226 679 L HN 0.625 nan 8.230 nan 0.000 0.433 680 I N 2.909 123.494 120.570 0.025 0.000 2.411 680 I HA 0.233 4.403 4.170 -0.000 0.000 0.284 680 I C -0.470 175.623 176.117 -0.039 0.000 1.012 680 I CA -0.633 60.677 61.300 0.016 0.000 1.119 680 I CB 1.760 39.794 38.000 0.057 0.000 1.261 680 I HN 0.469 nan 8.210 nan 0.000 0.448 681 E N 7.265 127.443 120.200 -0.036 0.000 2.089 681 E HA 0.435 4.785 4.350 -0.000 0.000 0.284 681 E C -0.586 175.958 176.600 -0.094 0.000 1.023 681 E CA -0.410 55.950 56.400 -0.066 0.000 0.819 681 E CB 1.787 31.465 29.700 -0.036 0.000 1.076 681 E HN 0.482 nan 8.360 nan 0.000 0.396 682 L N 4.663 125.777 121.223 -0.181 0.000 2.387 682 L HA 0.441 4.781 4.340 -0.000 0.000 0.266 682 L C -1.715 175.060 176.870 -0.159 0.000 1.059 682 L CA -1.792 52.894 54.840 -0.256 0.000 0.801 682 L CB 0.429 42.152 42.059 -0.560 0.000 1.223 682 L HN 0.316 nan 8.230 nan 0.000 0.456 683 P HA 0.070 nan 4.420 nan 0.000 0.279 683 P C -0.803 176.453 177.300 -0.073 0.000 1.282 683 P CA -0.659 62.415 63.100 -0.044 0.000 0.788 683 P CB 0.440 32.157 31.700 0.028 0.000 1.139 684 E N 0.031 120.208 120.200 -0.037 0.000 2.558 684 E HA 0.022 4.372 4.350 -0.000 0.000 0.255 684 E C -0.464 176.115 176.600 -0.035 0.000 0.968 684 E CA 0.024 56.400 56.400 -0.040 0.000 0.939 684 E CB -0.035 29.653 29.700 -0.020 0.000 0.921 684 E HN 0.278 nan 8.360 nan 0.000 0.477 685 L N 7.101 128.288 121.223 -0.060 0.000 2.290 685 L HA 0.295 4.635 4.340 -0.000 0.000 0.284 685 L C -1.876 174.991 176.870 -0.006 0.000 1.078 685 L CA -2.288 52.526 54.840 -0.043 0.000 0.815 685 L CB 0.671 42.677 42.059 -0.089 0.000 1.162 685 L HN 0.473 nan 8.230 nan 0.000 0.435 686 P HA -0.075 nan 4.420 nan 0.000 0.259 686 P C -0.897 176.417 177.300 0.022 0.000 1.163 686 P CA 0.231 63.353 63.100 0.036 0.000 0.760 686 P CB 0.155 31.895 31.700 0.066 0.000 0.762 687 Q N 2.668 122.477 119.800 0.014 0.000 2.851 687 Q HA 0.408 4.748 4.340 -0.000 0.000 0.331 687 Q C -2.404 173.602 176.000 0.010 0.000 0.979 687 Q CA -1.886 53.920 55.803 0.005 0.000 0.955 687 Q CB -0.112 28.622 28.738 -0.005 0.000 1.298 687 Q HN 0.285 nan 8.270 nan 0.000 0.432 688 P HA -0.029 nan 4.420 nan 0.000 0.269 688 P C 0.164 177.472 177.300 0.015 0.000 1.209 688 P CA -0.024 63.087 63.100 0.020 0.000 0.776 688 P CB 0.837 32.554 31.700 0.029 0.000 0.876 689 E N -0.425 119.784 120.200 0.014 0.000 2.415 689 E HA 0.056 4.406 4.350 -0.000 0.000 0.197 689 E C 0.070 176.680 176.600 0.016 0.000 1.007 689 E CA -0.137 56.270 56.400 0.012 0.000 0.890 689 E CB -0.124 29.582 29.700 0.010 0.000 0.891 689 E HN 0.279 nan 8.360 nan 0.000 0.496 690 S N 1.769 117.482 115.700 0.021 0.000 2.553 690 S HA 0.138 4.608 4.470 -0.000 0.000 0.293 690 S C 0.448 175.065 174.600 0.029 0.000 1.296 690 S CA 0.075 58.290 58.200 0.026 0.000 1.046 690 S CB 0.553 63.772 63.200 0.031 0.000 0.810 690 S HN 0.439 nan 8.310 nan 0.000 0.505 691 A N 1.816 124.655 122.820 0.032 0.000 2.346 691 A HA 0.713 5.033 4.320 -0.000 0.000 0.252 691 A C 0.974 178.586 177.584 0.046 0.000 1.089 691 A CA 0.355 52.413 52.037 0.035 0.000 0.797 691 A CB -0.325 18.697 19.000 0.037 0.000 1.047 691 A HN 1.626 nan 8.150 nan 0.000 0.494 692 G N -0.805 108.023 108.800 0.046 0.000 2.340 692 G HA2 0.334 4.294 3.960 -0.000 0.000 0.282 692 G HA3 0.334 4.294 3.960 -0.000 0.000 0.282 692 G C -1.326 173.600 174.900 0.044 0.000 1.312 692 G CA -0.704 44.437 45.100 0.067 0.000 0.942 692 G HN 0.847 nan 8.290 nan 0.000 0.495 693 Q N -0.273 119.577 119.800 0.083 0.000 2.341 693 Q HA 0.545 4.885 4.340 -0.000 0.000 0.268 693 Q C -1.034 175.018 176.000 0.086 0.000 1.013 693 Q CA -0.806 55.009 55.803 0.021 0.000 0.798 693 Q CB 2.273 31.062 28.738 0.086 0.000 1.253 693 Q HN 0.489 nan 8.270 nan 0.000 0.457 694 L N 3.979 125.153 121.223 -0.080 0.000 2.265 694 L HA 0.488 4.827 4.340 -0.000 0.000 0.288 694 L C -1.704 175.108 176.870 -0.096 0.000 1.058 694 L CA 0.002 54.841 54.840 -0.001 0.000 0.809 694 L CB 0.253 42.303 42.059 -0.014 0.000 1.179 694 L HN 0.540 nan 8.230 nan 0.000 0.429 695 W N 5.372 126.722 121.300 0.083 0.000 2.844 695 W HA 0.575 5.235 4.660 -0.000 0.000 0.340 695 W C -1.010 175.600 176.519 0.151 0.000 1.093 695 W CA -0.762 56.653 57.345 0.117 0.000 1.212 695 W CB 1.498 31.041 29.460 0.139 0.000 1.422 695 W HN 0.306 nan 8.180 nan 0.000 0.515 696 L N 2.580 124.076 121.223 0.455 0.000 2.296 696 L HA 0.768 5.108 4.340 -0.000 0.000 0.286 696 L C -0.384 176.756 176.870 0.450 0.000 1.023 696 L CA 0.125 55.212 54.840 0.412 0.000 0.812 696 L CB 1.328 43.605 42.059 0.364 0.000 1.223 696 L HN 0.359 nan 8.230 nan 0.000 0.421 697 T N 4.927 119.700 114.554 0.365 0.000 2.848 697 T HA 0.627 4.977 4.350 -0.000 0.000 0.285 697 T C -0.942 173.913 174.700 0.259 0.000 0.995 697 T CA -0.420 61.840 62.100 0.266 0.000 0.970 697 T CB 1.481 70.447 68.868 0.163 0.000 0.976 697 T HN 0.560 nan 8.240 nan 0.000 0.441 698 V N 2.218 122.229 119.914 0.163 0.000 2.495 698 V HA 0.824 4.944 4.120 -0.000 0.000 0.298 698 V C -0.572 175.551 176.094 0.049 0.000 1.031 698 V CA -1.055 61.297 62.300 0.088 0.000 0.871 698 V CB 1.565 33.335 31.823 -0.087 0.000 0.988 698 V HN 0.762 nan 8.190 nan 0.000 0.432 699 R N 2.878 123.449 120.500 0.117 0.000 2.575 699 R HA 0.746 5.086 4.340 -0.000 0.000 0.293 699 R C -1.308 175.067 176.300 0.124 0.000 0.983 699 R CA -0.589 55.610 56.100 0.165 0.000 0.887 699 R CB 2.520 32.935 30.300 0.192 0.000 1.184 699 R HN 0.734 nan 8.270 nan 0.000 0.445 700 V N 4.123 124.123 119.914 0.144 0.000 2.432 700 V HA 0.364 4.484 4.120 -0.000 0.000 0.275 700 V C -0.181 175.945 176.094 0.052 0.000 1.043 700 V CA -0.509 61.828 62.300 0.061 0.000 0.925 700 V CB 1.613 33.447 31.823 0.018 0.000 0.985 700 V HN 0.440 nan 8.190 nan 0.000 0.466 701 V N 5.029 124.923 119.914 -0.035 0.000 2.680 701 V HA 0.395 4.515 4.120 -0.000 0.000 0.309 701 V C -0.263 175.840 176.094 0.015 0.000 1.052 701 V CA -0.706 61.586 62.300 -0.013 0.000 0.908 701 V CB 2.147 33.912 31.823 -0.095 0.000 1.001 701 V HN 0.898 nan 8.190 nan 0.000 0.431 702 Q N 5.225 125.070 119.800 0.075 0.000 2.509 702 Q HA 0.250 4.590 4.340 -0.000 0.000 0.230 702 Q C -1.842 174.189 176.000 0.053 0.000 1.089 702 Q CA -1.755 54.102 55.803 0.091 0.000 0.901 702 Q CB 1.561 30.393 28.738 0.157 0.000 1.208 702 Q HN 0.478 nan 8.270 nan 0.000 0.529 703 P HA -0.214 nan 4.420 nan 0.000 0.215 703 P C -0.463 176.845 177.300 0.014 0.000 1.157 703 P CA 1.464 64.577 63.100 0.022 0.000 0.874 703 P CB 0.323 32.032 31.700 0.014 0.000 0.790 704 N N -1.249 117.454 118.700 0.004 0.000 2.477 704 N HA 0.479 5.219 4.740 -0.000 0.000 0.284 704 N C -0.402 175.077 175.510 -0.052 0.000 1.182 704 N CA -0.753 52.287 53.050 -0.016 0.000 0.949 704 N CB 0.652 39.132 38.487 -0.011 0.000 1.204 704 N HN -0.035 nan 8.380 nan 0.000 0.526 705 A N -0.149 122.629 122.820 -0.070 0.000 2.272 705 A HA 0.661 4.981 4.320 -0.000 0.000 0.275 705 A C 0.453 177.932 177.584 -0.175 0.000 1.096 705 A CA -0.132 51.824 52.037 -0.135 0.000 0.822 705 A CB 0.081 19.017 19.000 -0.107 0.000 1.088 705 A HN 0.748 nan 8.150 nan 0.000 0.495 706 T N -4.038 110.333 114.554 -0.305 0.000 2.716 706 T HA 0.609 4.959 4.350 -0.000 0.000 0.286 706 T C 0.822 175.374 174.700 -0.248 0.000 1.052 706 T CA 0.161 62.060 62.100 -0.334 0.000 1.024 706 T CB 1.014 69.451 68.868 -0.718 0.000 1.349 706 T HN 1.394 nan 8.240 nan 0.000 0.525 707 A N -0.154 122.621 122.820 -0.076 0.000 2.066 707 A HA 0.167 4.487 4.320 -0.000 0.000 0.218 707 A C 1.650 179.308 177.584 0.123 0.000 1.157 707 A CA 0.928 53.042 52.037 0.129 0.000 0.670 707 A CB -0.785 18.422 19.000 0.345 0.000 0.804 707 A HN 0.906 nan 8.150 nan 0.000 0.453 708 W N -0.600 120.696 121.300 -0.007 0.000 2.870 708 W HA 0.407 5.067 4.660 -0.000 0.000 0.358 708 W C -0.209 176.236 176.519 -0.124 0.000 1.043 708 W CA 0.516 57.793 57.345 -0.113 0.000 1.692 708 W CB -1.017 28.362 29.460 -0.135 0.000 1.100 708 W HN 0.389 nan 8.180 nan 0.000 0.557 709 S N 0.003 115.215 115.700 -0.814 0.000 2.579 709 S HA 0.511 4.981 4.470 -0.000 0.000 0.272 709 S C -1.232 173.104 174.600 -0.441 0.000 1.141 709 S CA -0.674 57.096 58.200 -0.718 0.000 0.843 709 S CB 2.838 65.261 63.200 -1.294 0.000 1.122 709 S HN 0.037 nan 8.310 nan 0.000 0.468 710 E N 0.653 120.711 120.200 -0.238 0.000 2.283 710 E HA 0.672 5.022 4.350 -0.000 0.000 0.267 710 E C 0.328 176.887 176.600 -0.068 0.000 1.045 710 E CA -0.640 55.692 56.400 -0.113 0.000 0.884 710 E CB 1.292 30.970 29.700 -0.038 0.000 1.106 710 E HN 0.918 nan 8.360 nan 0.000 0.408 711 A N 1.097 123.894 122.820 -0.039 0.000 2.507 711 A HA 0.377 4.697 4.320 -0.000 0.000 0.235 711 A C 0.987 178.595 177.584 0.041 0.000 1.070 711 A CA 0.574 52.609 52.037 -0.004 0.000 0.768 711 A CB -0.578 18.420 19.000 -0.003 0.000 1.011 711 A HN 0.879 nan 8.150 nan 0.000 0.502 712 G N 0.413 109.248 108.800 0.060 0.000 2.323 712 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.292 712 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.292 712 G C 0.171 175.139 174.900 0.113 0.000 1.040 712 G CA 0.689 45.837 45.100 0.081 0.000 0.942 712 G HN 1.434 nan 8.290 nan 0.000 0.506 713 H N -0.115 118.976 119.070 0.034 0.000 2.505 713 H HA 0.525 5.081 4.556 -0.000 0.000 0.351 713 H C -0.075 175.328 175.328 0.125 0.000 1.151 713 H CA -0.658 55.427 56.048 0.062 0.000 1.339 713 H CB 0.802 30.576 29.762 0.020 0.000 1.483 713 H HN 0.079 nan 8.280 nan 0.000 0.558 714 I N 4.211 124.459 120.570 -0.538 0.000 2.321 714 I HA -0.043 4.127 4.170 -0.000 0.000 0.291 714 I C 1.361 177.278 176.117 -0.333 0.000 0.998 714 I CA -0.111 61.022 61.300 -0.278 0.000 1.227 714 I CB 1.580 39.563 38.000 -0.028 0.000 1.368 714 I HN 0.663 nan 8.210 nan 0.000 0.466 715 S N 4.438 120.153 115.700 0.025 0.000 2.499 715 S HA 0.479 4.949 4.470 -0.000 0.000 0.225 715 S C 0.638 175.405 174.600 0.278 0.000 1.050 715 S CA 0.141 58.486 58.200 0.242 0.000 0.928 715 S CB 0.704 64.170 63.200 0.444 0.000 0.803 715 S HN 0.739 nan 8.310 nan 0.000 0.506 716 A N 0.300 123.311 122.820 0.318 0.000 2.612 716 A HA 0.679 4.999 4.320 -0.000 0.000 0.293 716 A C -2.014 175.787 177.584 0.361 0.000 1.075 716 A CA -0.853 51.303 52.037 0.198 0.000 0.680 716 A CB 0.559 19.722 19.000 0.272 0.000 1.279 716 A HN 0.947 nan 8.150 nan 0.000 0.411 717 W N -0.074 121.354 121.300 0.214 0.000 3.248 717 W HA 0.756 5.416 4.660 -0.000 0.000 0.311 717 W C -1.232 175.288 176.519 0.001 0.000 1.258 717 W CA -0.518 56.846 57.345 0.032 0.000 1.191 717 W CB 1.043 30.493 29.460 -0.018 0.000 1.389 717 W HN 1.007 nan 8.180 nan 0.000 0.561 718 Q N 2.051 121.810 119.800 -0.067 0.000 2.418 718 Q HA 0.578 4.918 4.340 -0.000 0.000 0.282 718 Q C -1.477 174.303 176.000 -0.366 0.000 1.044 718 Q CA -0.628 55.002 55.803 -0.290 0.000 0.813 718 Q CB 2.633 31.067 28.738 -0.507 0.000 1.428 718 Q HN 0.623 nan 8.270 nan 0.000 0.402 719 Q N 1.852 121.373 119.800 -0.464 0.000 2.345 719 Q HA 0.611 4.951 4.340 -0.000 0.000 0.275 719 Q C -1.480 174.390 176.000 -0.216 0.000 1.063 719 Q CA -0.763 54.936 55.803 -0.174 0.000 0.819 719 Q CB 1.834 30.642 28.738 0.118 0.000 1.356 719 Q HN 0.612 nan 8.270 nan 0.000 0.418 720 W N 1.984 123.470 121.300 0.309 0.000 2.819 720 W HA 0.465 5.125 4.660 -0.000 0.000 0.337 720 W C -0.347 176.223 176.519 0.085 0.000 1.077 720 W CA -0.890 56.573 57.345 0.197 0.000 1.226 720 W CB 2.183 31.691 29.460 0.079 0.000 1.419 720 W HN 0.699 nan 8.180 nan 0.000 0.502 721 R N 3.054 123.490 120.500 -0.106 0.000 2.308 721 R HA 0.188 4.528 4.340 -0.000 0.000 0.325 721 R C 1.040 177.126 176.300 -0.357 0.000 1.161 721 R CA -0.096 55.525 56.100 -0.799 0.000 1.022 721 R CB 0.041 29.502 30.300 -1.399 0.000 1.091 721 R HN 0.614 nan 8.270 nan 0.000 0.497 722 L N 2.434 123.528 121.223 -0.215 0.000 1.955 722 L HA -0.070 4.270 4.340 -0.000 0.000 0.213 722 L C 0.978 177.748 176.870 -0.166 0.000 1.072 722 L CA 1.694 56.456 54.840 -0.130 0.000 0.755 722 L CB -0.323 41.698 42.059 -0.063 0.000 0.888 722 L HN 0.660 nan 8.230 nan 0.000 0.432 723 A N -1.173 121.529 122.820 -0.198 0.000 2.602 723 A HA 0.609 4.929 4.320 -0.000 0.000 0.290 723 A C -1.326 176.161 177.584 -0.161 0.000 1.114 723 A CA -0.472 51.473 52.037 -0.154 0.000 0.683 723 A CB 1.832 20.778 19.000 -0.089 0.000 1.281 723 A HN 0.120 nan 8.150 nan 0.000 0.416 724 E N 0.532 120.664 120.200 -0.113 0.000 2.275 724 E HA 0.414 4.764 4.350 -0.000 0.000 0.270 724 E C -1.560 175.016 176.600 -0.041 0.000 0.882 724 E CA -0.701 55.649 56.400 -0.083 0.000 0.758 724 E CB 1.217 30.865 29.700 -0.086 0.000 1.195 724 E HN 0.577 nan 8.360 nan 0.000 0.419 725 N N 4.391 123.080 118.700 -0.017 0.000 2.469 725 N HA 0.285 5.024 4.740 -0.000 0.000 0.253 725 N C -0.669 174.847 175.510 0.010 0.000 0.970 725 N CA -0.290 52.759 53.050 -0.002 0.000 0.940 725 N CB 1.039 39.530 38.487 0.007 0.000 1.128 725 N HN 0.469 nan 8.380 nan 0.000 0.503 726 L N 1.128 122.355 121.223 0.008 0.000 2.410 726 L HA 0.120 4.460 4.340 -0.000 0.000 0.273 726 L C 1.146 178.029 176.870 0.022 0.000 1.144 726 L CA -0.180 54.670 54.840 0.017 0.000 0.863 726 L CB 0.626 42.694 42.059 0.014 0.000 1.140 726 L HN 0.420 nan 8.230 nan 0.000 0.463 727 S N 2.911 118.630 115.700 0.032 0.000 2.455 727 S HA 0.186 4.656 4.470 -0.000 0.000 0.278 727 S C 0.735 175.353 174.600 0.030 0.000 1.216 727 S CA -0.802 57.419 58.200 0.034 0.000 1.055 727 S CB 0.902 64.129 63.200 0.045 0.000 0.939 727 S HN 0.474 nan 8.310 nan 0.000 0.494 728 V N 2.498 122.427 119.914 0.025 0.000 3.661 728 V HA 0.245 4.365 4.120 -0.000 0.000 0.271 728 V C 1.154 177.261 176.094 0.021 0.000 1.315 728 V CA 0.386 62.698 62.300 0.021 0.000 1.072 728 V CB -1.374 30.458 31.823 0.016 0.000 0.830 728 V HN 0.944 nan 8.190 nan 0.000 0.443 729 T N 1.237 115.805 114.554 0.023 0.000 2.854 729 T HA 0.286 4.636 4.350 -0.000 0.000 0.336 729 T C -0.358 174.356 174.700 0.022 0.000 1.095 729 T CA 0.360 62.473 62.100 0.022 0.000 1.118 729 T CB 0.281 69.165 68.868 0.026 0.000 1.025 729 T HN 0.385 nan 8.240 nan 0.000 0.549 730 L N 2.885 124.119 121.223 0.018 0.000 2.356 730 L HA 0.481 4.821 4.340 -0.000 0.000 0.277 730 L C -1.840 175.040 176.870 0.016 0.000 0.996 730 L CA -2.214 52.635 54.840 0.015 0.000 0.822 730 L CB 1.413 43.477 42.059 0.009 0.000 1.256 730 L HN 0.649 nan 8.230 nan 0.000 0.413 731 P HA 0.123 nan 4.420 nan 0.000 0.264 731 P C -0.288 177.019 177.300 0.012 0.000 1.183 731 P CA -0.307 62.804 63.100 0.020 0.000 0.763 731 P CB 0.684 32.395 31.700 0.019 0.000 0.807 732 A N 2.847 125.677 122.820 0.016 0.000 2.466 732 A HA 0.436 4.756 4.320 -0.000 0.000 0.238 732 A C 0.695 178.277 177.584 -0.003 0.000 1.074 732 A CA 0.087 52.130 52.037 0.010 0.000 0.774 732 A CB -0.323 18.692 19.000 0.026 0.000 1.015 732 A HN 0.758 nan 8.150 nan 0.000 0.498 733 A N 1.784 124.585 122.820 -0.032 0.000 2.388 733 A HA 0.538 4.858 4.320 -0.000 0.000 0.257 733 A C 0.815 178.346 177.584 -0.089 0.000 1.095 733 A CA 0.256 52.254 52.037 -0.066 0.000 0.791 733 A CB -0.233 18.710 19.000 -0.096 0.000 1.029 733 A HN 1.723 nan 8.150 nan 0.000 0.489 734 S N 1.225 116.886 115.700 -0.065 0.000 2.616 734 S HA 0.436 4.906 4.470 -0.000 0.000 0.277 734 S C 0.444 174.985 174.600 -0.098 0.000 1.234 734 S CA -0.400 57.798 58.200 -0.003 0.000 1.028 734 S CB 0.657 63.878 63.200 0.036 0.000 0.988 734 S HN 0.693 nan 8.310 nan 0.000 0.522 735 H N 1.457 120.514 119.070 -0.022 0.000 2.317 735 H HA 0.340 4.896 4.556 -0.000 0.000 0.304 735 H C 1.530 176.836 175.328 -0.037 0.000 1.067 735 H CA 1.304 57.337 56.048 -0.024 0.000 1.352 735 H CB -0.700 29.052 29.762 -0.016 0.000 1.398 735 H HN 0.872 nan 8.280 nan 0.000 0.510 736 A N 1.172 124.057 122.820 0.108 0.000 2.387 736 A HA 0.382 4.702 4.320 -0.000 0.000 0.251 736 A C 0.247 177.804 177.584 -0.045 0.000 1.113 736 A CA 0.336 52.380 52.037 0.010 0.000 0.794 736 A CB -0.170 18.834 19.000 0.008 0.000 1.069 736 A HN 0.499 nan 8.150 nan 0.000 0.506 737 I N -0.432 120.074 120.570 -0.107 0.000 2.690 737 I HA 0.383 4.553 4.170 -0.000 0.000 0.286 737 I C -2.893 173.086 176.117 -0.230 0.000 1.313 737 I CA -2.045 59.169 61.300 -0.144 0.000 1.070 737 I CB 2.340 40.271 38.000 -0.116 0.000 1.323 737 I HN 0.471 nan 8.210 nan 0.000 0.432 738 P HA 0.132 nan 4.420 nan 0.000 0.268 738 P C -1.153 176.016 177.300 -0.219 0.000 1.208 738 P CA 0.438 63.422 63.100 -0.193 0.000 0.777 738 P CB 0.221 31.819 31.700 -0.170 0.000 0.875 739 H N 0.577 119.637 119.070 -0.016 0.000 2.527 739 H HA 0.408 4.964 4.556 -0.000 0.000 0.321 739 H C -0.097 175.218 175.328 -0.021 0.000 1.087 739 H CA -0.613 55.426 56.048 -0.015 0.000 1.337 739 H CB 0.666 30.431 29.762 0.005 0.000 1.440 739 H HN 0.246 nan 8.280 nan 0.000 0.490 740 L N 3.279 124.552 121.223 0.083 0.000 2.287 740 L HA 0.390 4.730 4.340 -0.000 0.000 0.287 740 L C -0.499 176.402 176.870 0.052 0.000 1.022 740 L CA -0.006 54.848 54.840 0.023 0.000 0.814 740 L CB 1.276 43.288 42.059 -0.079 0.000 1.217 740 L HN 0.559 nan 8.230 nan 0.000 0.420 741 T N 3.885 118.488 114.554 0.082 0.000 2.797 741 T HA 0.513 4.863 4.350 -0.000 0.000 0.279 741 T C -0.073 174.716 174.700 0.148 0.000 0.991 741 T CA -0.212 61.939 62.100 0.085 0.000 0.979 741 T CB 1.096 70.006 68.868 0.071 0.000 0.943 741 T HN 0.730 nan 8.240 nan 0.000 0.444 742 T N 2.192 116.832 114.554 0.142 0.000 2.944 742 T HA 0.720 5.070 4.350 -0.000 0.000 0.284 742 T C 0.112 174.870 174.700 0.097 0.000 1.010 742 T CA -0.508 61.721 62.100 0.215 0.000 1.025 742 T CB 1.553 70.564 68.868 0.237 0.000 1.079 742 T HN 0.631 nan 8.240 nan 0.000 0.516 743 S N -0.248 115.476 115.700 0.040 0.000 2.973 743 S HA 0.427 4.897 4.470 -0.000 0.000 0.317 743 S C 0.281 174.841 174.600 -0.068 0.000 1.196 743 S CA -0.530 57.660 58.200 -0.016 0.000 0.894 743 S CB 1.123 64.310 63.200 -0.022 0.000 1.292 743 S HN 0.679 nan 8.310 nan 0.000 0.614 744 E N -0.148 120.005 120.200 -0.078 0.000 2.244 744 E HA 0.259 4.609 4.350 -0.000 0.000 0.196 744 E C 1.593 178.101 176.600 -0.152 0.000 0.939 744 E CA 0.249 56.591 56.400 -0.097 0.000 0.884 744 E CB -0.004 29.661 29.700 -0.058 0.000 0.850 744 E HN 0.524 nan 8.360 nan 0.000 0.481 745 M N 1.201 120.728 119.600 -0.123 0.000 2.558 745 M HA 0.010 4.490 4.480 -0.000 0.000 0.255 745 M C -0.166 176.037 176.300 -0.163 0.000 1.113 745 M CA 0.763 55.994 55.300 -0.115 0.000 1.097 745 M CB -0.145 32.422 32.600 -0.055 0.000 1.426 745 M HN 0.118 nan 8.290 nan 0.000 0.488 746 D N -1.652 118.602 120.400 -0.244 0.000 3.376 746 D HA 0.347 4.987 4.640 -0.000 0.000 0.344 746 D C -1.226 174.804 176.300 -0.451 0.000 1.428 746 D CA -0.574 53.270 54.000 -0.260 0.000 0.949 746 D CB 0.907 41.698 40.800 -0.015 0.000 1.451 746 D HN -0.109 nan 8.370 nan 0.000 0.578 747 F N 0.026 120.032 119.950 0.094 0.000 3.483 747 F HA 0.342 4.869 4.527 -0.000 0.000 0.393 747 F C -0.437 175.435 175.800 0.121 0.000 1.240 747 F CA -1.685 56.347 58.000 0.054 0.000 1.320 747 F CB 1.090 40.068 39.000 -0.036 0.000 1.965 747 F HN 0.653 nan 8.300 nan 0.000 0.715 748 C N 4.277 123.751 119.300 0.290 0.000 2.500 748 C HA 0.811 5.271 4.460 -0.000 0.000 0.367 748 C C 0.136 175.269 174.990 0.239 0.000 1.283 748 C CA -0.196 58.980 59.018 0.264 0.000 2.456 748 C CB 0.097 27.938 27.740 0.168 0.000 2.457 748 C HN 0.620 nan 8.230 nan 0.000 0.632 749 I N 3.054 123.807 120.570 0.304 0.000 2.656 749 I HA 0.448 4.618 4.170 -0.000 0.000 0.292 749 I C -0.614 175.737 176.117 0.390 0.000 1.144 749 I CA -0.304 61.158 61.300 0.270 0.000 1.038 749 I CB 1.732 39.819 38.000 0.145 0.000 1.244 749 I HN 0.653 nan 8.210 nan 0.000 0.420 750 E N 5.218 125.597 120.200 0.299 0.000 2.314 750 E HA 0.761 5.111 4.350 -0.000 0.000 0.272 750 E C -1.965 174.818 176.600 0.305 0.000 0.884 750 E CA -0.751 55.856 56.400 0.346 0.000 0.753 750 E CB 3.440 33.303 29.700 0.272 0.000 1.213 750 E HN 0.435 nan 8.360 nan 0.000 0.432 751 L N 2.477 123.891 121.223 0.318 0.000 2.611 751 L HA 0.451 4.791 4.340 -0.000 0.000 0.260 751 L C 0.229 177.215 176.870 0.193 0.000 0.924 751 L CA 0.513 55.480 54.840 0.212 0.000 0.901 751 L CB 1.717 43.879 42.059 0.172 0.000 1.369 751 L HN 0.781 nan 8.230 nan 0.000 0.415 752 G N 3.409 112.282 108.800 0.122 0.000 2.632 752 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.322 752 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.322 752 G C 0.546 175.484 174.900 0.064 0.000 1.326 752 G CA 0.784 45.930 45.100 0.077 0.000 0.986 752 G HN 1.130 nan 8.290 nan 0.000 0.541 753 N N 1.010 119.726 118.700 0.026 0.000 2.521 753 N HA 0.042 4.782 4.740 -0.000 0.000 0.188 753 N C 0.502 175.998 175.510 -0.024 0.000 1.146 753 N CA 1.077 54.123 53.050 -0.007 0.000 0.893 753 N CB 0.051 38.525 38.487 -0.022 0.000 0.975 753 N HN 0.737 nan 8.380 nan 0.000 0.451 754 K N 0.940 121.340 120.400 -0.002 0.000 2.201 754 K HA 0.386 4.706 4.320 -0.000 0.000 0.278 754 K C -0.090 176.504 176.600 -0.010 0.000 1.027 754 K CA -0.433 55.781 56.287 -0.123 0.000 0.909 754 K CB 1.580 33.942 32.500 -0.229 0.000 1.062 754 K HN 0.078 nan 8.250 nan 0.000 0.465 755 R N 1.581 121.980 120.500 -0.169 0.000 2.854 755 R HA 0.467 4.807 4.340 -0.000 0.000 0.271 755 R C -0.919 175.411 176.300 0.051 0.000 0.994 755 R CA -0.906 55.282 56.100 0.148 0.000 0.945 755 R CB 2.000 32.378 30.300 0.130 0.000 1.194 755 R HN 0.576 nan 8.270 nan 0.000 0.476 756 W N 2.143 123.580 121.300 0.228 0.000 2.631 756 W HA 0.215 4.875 4.660 -0.000 0.000 0.321 756 W C -0.696 176.014 176.519 0.318 0.000 1.004 756 W CA -0.532 56.944 57.345 0.218 0.000 1.291 756 W CB 1.939 31.534 29.460 0.225 0.000 1.300 756 W HN 0.490 nan 8.180 nan 0.000 0.422 757 Q N 2.582 122.638 119.800 0.426 0.000 2.256 757 Q HA 0.421 4.761 4.340 -0.000 0.000 0.254 757 Q C -1.635 174.530 176.000 0.275 0.000 0.916 757 Q CA -0.147 55.894 55.803 0.397 0.000 0.932 757 Q CB 1.014 29.966 28.738 0.356 0.000 1.207 757 Q HN 0.296 nan 8.270 nan 0.000 0.426 758 F N 3.783 123.823 119.950 0.149 0.000 2.366 758 F HA 0.263 4.790 4.527 -0.000 0.000 0.366 758 F C 0.425 176.246 175.800 0.036 0.000 1.096 758 F CA -1.008 57.048 58.000 0.094 0.000 1.060 758 F CB 1.001 40.081 39.000 0.134 0.000 1.282 758 F HN 0.616 nan 8.300 nan 0.000 0.450 759 N N 2.632 121.405 118.700 0.122 0.000 2.329 759 N HA -0.052 4.688 4.740 -0.000 0.000 0.237 759 N C 1.087 176.583 175.510 -0.022 0.000 1.258 759 N CA 0.546 53.619 53.050 0.038 0.000 0.866 759 N CB 0.766 39.276 38.487 0.040 0.000 1.102 759 N HN 0.713 nan 8.380 nan 0.000 0.440 760 R N 1.078 121.499 120.500 -0.132 0.000 2.254 760 R HA 0.122 4.462 4.340 -0.000 0.000 0.193 760 R C 1.609 177.819 176.300 -0.151 0.000 0.929 760 R CA 0.369 56.329 56.100 -0.233 0.000 1.038 760 R CB 0.275 30.326 30.300 -0.415 0.000 1.009 760 R HN 0.682 nan 8.270 nan 0.000 0.512 761 Q N -0.549 119.189 119.800 -0.103 0.000 2.008 761 Q HA -0.073 4.267 4.340 -0.000 0.000 0.196 761 Q C 2.048 177.999 176.000 -0.082 0.000 0.973 761 Q CA 1.741 57.498 55.803 -0.077 0.000 0.826 761 Q CB -0.143 28.571 28.738 -0.040 0.000 0.894 761 Q HN 0.223 nan 8.270 nan 0.000 0.439 762 S N -0.327 115.343 115.700 -0.050 0.000 2.377 762 S HA 0.065 4.535 4.470 -0.000 0.000 0.223 762 S C 1.598 176.015 174.600 -0.304 0.000 1.030 762 S CA 1.189 59.360 58.200 -0.048 0.000 0.970 762 S CB -0.015 63.273 63.200 0.148 0.000 0.830 762 S HN 0.613 nan 8.310 nan 0.000 0.473 763 G N -0.033 108.608 108.800 -0.264 0.000 2.144 763 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.218 763 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.218 763 G C -0.204 174.504 174.900 -0.320 0.000 0.988 763 G CA 0.064 44.968 45.100 -0.326 0.000 0.659 763 G HN 0.490 nan 8.290 nan 0.000 0.522 764 F N -0.622 119.432 119.950 0.172 0.000 2.546 764 F HA 0.664 5.191 4.527 -0.000 0.000 0.320 764 F C 0.446 176.094 175.800 -0.253 0.000 1.076 764 F CA -1.676 56.347 58.000 0.038 0.000 0.928 764 F CB 1.469 40.515 39.000 0.076 0.000 1.189 764 F HN 0.001 nan 8.300 nan 0.000 0.465 765 L N 2.757 123.787 121.223 -0.322 0.000 2.774 765 L HA 0.067 4.407 4.340 -0.000 0.000 0.284 765 L C 1.170 177.909 176.870 -0.217 0.000 1.149 765 L CA 0.429 54.866 54.840 -0.671 0.000 1.069 765 L CB -0.705 41.001 42.059 -0.588 0.000 1.407 765 L HN 0.690 nan 8.230 nan 0.000 0.460 766 S N 2.066 117.679 115.700 -0.145 0.000 2.522 766 S HA 0.141 4.611 4.470 -0.000 0.000 0.227 766 S C 0.655 175.169 174.600 -0.144 0.000 0.986 766 S CA 0.430 58.591 58.200 -0.065 0.000 0.929 766 S CB -0.138 63.063 63.200 0.001 0.000 0.769 766 S HN 0.768 nan 8.310 nan 0.000 0.529 767 Q N -0.301 119.372 119.800 -0.211 0.000 2.959 767 Q HA 0.586 4.926 4.340 -0.000 0.000 0.288 767 Q C -1.777 173.965 176.000 -0.431 0.000 0.911 767 Q CA -0.439 55.139 55.803 -0.376 0.000 0.800 767 Q CB 1.034 29.462 28.738 -0.518 0.000 1.645 767 Q HN 0.547 nan 8.270 nan 0.000 0.454 768 M N 0.780 119.990 119.600 -0.651 0.000 2.471 768 M HA 0.791 5.271 4.480 -0.000 0.000 0.284 768 M C -1.974 173.938 176.300 -0.647 0.000 1.203 768 M CA -0.274 54.691 55.300 -0.559 0.000 0.915 768 M CB 1.832 34.056 32.600 -0.627 0.000 1.734 768 M HN 0.508 nan 8.290 nan 0.000 0.485 769 W N 3.495 124.586 121.300 -0.349 0.000 2.799 769 W HA 0.696 5.356 4.660 -0.000 0.000 0.349 769 W C -1.309 175.016 176.519 -0.323 0.000 1.100 769 W CA -0.906 56.281 57.345 -0.264 0.000 1.174 769 W CB 1.916 31.265 29.460 -0.186 0.000 1.427 769 W HN 0.568 nan 8.180 nan 0.000 0.547 770 I N 2.309 122.890 120.570 0.018 0.000 2.448 770 I HA 0.330 4.500 4.170 -0.000 0.000 0.281 770 I C 0.791 176.913 176.117 0.008 0.000 1.027 770 I CA 0.298 61.559 61.300 -0.064 0.000 1.111 770 I CB 1.090 39.031 38.000 -0.099 0.000 1.236 770 I HN 0.726 nan 8.210 nan 0.000 0.452 771 G N 5.935 114.732 108.800 -0.005 0.000 2.591 771 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.298 771 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.298 771 G C 0.611 175.524 174.900 0.022 0.000 1.195 771 G CA 0.607 45.702 45.100 -0.007 0.000 0.989 771 G HN 0.658 nan 8.290 nan 0.000 0.551 772 D N 1.336 121.757 120.400 0.036 0.000 2.194 772 D HA 0.022 4.662 4.640 -0.000 0.000 0.204 772 D C 1.050 177.512 176.300 0.270 0.000 0.964 772 D CA 1.135 55.179 54.000 0.073 0.000 0.846 772 D CB -0.287 40.530 40.800 0.028 0.000 0.962 772 D HN 0.713 nan 8.370 nan 0.000 0.490 773 K N 1.333 121.842 120.400 0.182 0.000 2.436 773 K HA 0.157 4.477 4.320 -0.000 0.000 0.282 773 K C 0.008 176.604 176.600 -0.007 0.000 1.044 773 K CA 0.059 56.405 56.287 0.099 0.000 1.028 773 K CB 0.659 33.165 32.500 0.010 0.000 0.919 773 K HN -0.071 nan 8.250 nan 0.000 0.474 774 K N 2.499 122.784 120.400 -0.192 0.000 2.298 774 K HA 0.011 4.331 4.320 -0.000 0.000 0.280 774 K C 0.920 177.299 176.600 -0.368 0.000 1.032 774 K CA -0.168 55.770 56.287 -0.582 0.000 0.958 774 K CB 0.887 33.094 32.500 -0.487 0.000 0.978 774 K HN 0.457 nan 8.250 nan 0.000 0.472 775 Q N 1.678 121.230 119.800 -0.413 0.000 2.390 775 Q HA 0.148 4.488 4.340 -0.000 0.000 0.216 775 Q C 0.734 176.601 176.000 -0.222 0.000 0.916 775 Q CA 0.570 56.228 55.803 -0.242 0.000 0.911 775 Q CB 0.141 28.759 28.738 -0.201 0.000 1.035 775 Q HN 0.521 nan 8.270 nan 0.000 0.541 776 L N 0.031 121.086 121.223 -0.281 0.000 2.464 776 L HA 0.163 4.503 4.340 -0.000 0.000 0.224 776 L C 1.299 178.026 176.870 -0.239 0.000 1.219 776 L CA 0.108 54.810 54.840 -0.231 0.000 0.831 776 L CB 0.150 42.076 42.059 -0.222 0.000 1.284 776 L HN 0.080 nan 8.230 nan 0.000 0.522 777 L N -1.813 119.271 121.223 -0.232 0.000 3.927 777 L HA 0.153 4.493 4.340 -0.000 0.000 0.388 777 L C -0.494 176.254 176.870 -0.203 0.000 1.022 777 L CA 0.381 55.086 54.840 -0.225 0.000 1.497 777 L CB 1.141 43.035 42.059 -0.275 0.000 2.031 777 L HN 0.627 nan 8.230 nan 0.000 0.625 778 T N 1.019 115.445 114.554 -0.213 0.000 3.041 778 T HA 0.388 4.738 4.350 -0.000 0.000 0.321 778 T C -2.735 171.901 174.700 -0.107 0.000 1.184 778 T CA -0.892 61.120 62.100 -0.147 0.000 1.050 778 T CB 2.552 71.322 68.868 -0.163 0.000 1.159 778 T HN -0.241 nan 8.240 nan 0.000 0.469 779 P HA 0.127 nan 4.420 nan 0.000 0.272 779 P C -0.650 176.619 177.300 -0.051 0.000 1.243 779 P CA -0.554 62.525 63.100 -0.034 0.000 0.803 779 P CB 0.559 32.276 31.700 0.028 0.000 0.974 780 L N 1.201 122.413 121.223 -0.017 0.000 2.276 780 L HA 0.443 4.783 4.340 -0.000 0.000 0.286 780 L C -0.001 176.785 176.870 -0.140 0.000 1.024 780 L CA -0.260 54.586 54.840 0.010 0.000 0.826 780 L CB 0.306 42.468 42.059 0.172 0.000 1.211 780 L HN 0.355 nan 8.230 nan 0.000 0.422 781 R N 1.838 122.162 120.500 -0.294 0.000 2.867 781 R HA 0.613 4.953 4.340 -0.000 0.000 0.268 781 R C -1.049 175.087 176.300 -0.273 0.000 1.014 781 R CA -1.117 54.634 56.100 -0.582 0.000 0.946 781 R CB 0.671 30.354 30.300 -1.028 0.000 1.208 781 R HN 0.434 nan 8.270 nan 0.000 0.477 782 D N 0.771 121.068 120.400 -0.172 0.000 2.390 782 D HA -0.017 4.623 4.640 -0.000 0.000 0.236 782 D C -0.544 175.347 176.300 -0.681 0.000 1.189 782 D CA 0.627 54.406 54.000 -0.368 0.000 0.887 782 D CB 0.531 41.113 40.800 -0.363 0.000 1.198 782 D HN 0.284 nan 8.370 nan 0.000 0.444 783 Q N 1.079 120.230 119.800 -1.082 0.000 2.350 783 Q HA 0.219 4.559 4.340 -0.000 0.000 0.255 783 Q C -1.030 174.232 176.000 -1.230 0.000 0.951 783 Q CA -0.479 54.765 55.803 -0.932 0.000 0.751 783 Q CB 0.563 28.999 28.738 -0.504 0.000 1.296 783 Q HN 0.472 nan 8.270 nan 0.000 0.453 784 F N 0.264 119.924 119.950 -0.484 0.000 2.664 784 F HA 0.162 4.689 4.527 -0.000 0.000 0.303 784 F C 1.123 176.589 175.800 -0.556 0.000 1.092 784 F CA 0.018 57.649 58.000 -0.616 0.000 1.305 784 F CB 0.799 39.258 39.000 -0.902 0.000 1.054 784 F HN 0.338 nan 8.300 nan 0.000 0.565 785 T N -0.793 113.520 114.554 -0.401 0.000 2.693 785 T HA 0.866 5.216 4.350 -0.000 0.000 0.278 785 T C -0.592 173.898 174.700 -0.349 0.000 0.994 785 T CA -0.973 60.849 62.100 -0.464 0.000 1.033 785 T CB 2.818 71.431 68.868 -0.425 0.000 1.342 785 T HN 0.251 nan 8.240 nan 0.000 0.538 786 R N -0.908 119.449 120.500 -0.239 0.000 2.664 786 R HA 0.701 5.041 4.340 -0.000 0.000 0.266 786 R C -1.337 174.992 176.300 0.048 0.000 1.046 786 R CA -1.074 54.968 56.100 -0.096 0.000 0.885 786 R CB 1.080 31.335 30.300 -0.075 0.000 1.254 786 R HN 0.868 nan 8.270 nan 0.000 0.465 787 A N 3.096 125.924 122.820 0.013 0.000 2.655 787 A HA 0.321 4.641 4.320 -0.000 0.000 0.297 787 A C -1.945 175.667 177.584 0.047 0.000 1.461 787 A CA -1.458 50.577 52.037 -0.003 0.000 1.146 787 A CB -0.666 18.287 19.000 -0.080 0.000 1.108 787 A HN 0.538 nan 8.150 nan 0.000 0.550 788 P HA -0.094 nan 4.420 nan 0.000 0.258 788 P C -0.305 177.089 177.300 0.156 0.000 1.136 788 P CA 0.867 64.105 63.100 0.231 0.000 0.761 788 P CB 0.023 31.899 31.700 0.294 0.000 0.724 789 L N 2.883 124.176 121.223 0.116 0.000 2.466 789 L HA 0.194 4.534 4.340 -0.000 0.000 0.257 789 L C 2.000 178.881 176.870 0.018 0.000 1.189 789 L CA -0.204 54.641 54.840 0.008 0.000 0.813 789 L CB -0.092 41.900 42.059 -0.112 0.000 1.118 789 L HN 0.261 nan 8.230 nan 0.000 0.471 790 D N 0.296 120.642 120.400 -0.090 0.000 2.149 790 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 790 D C 1.517 177.727 176.300 -0.151 0.000 0.990 790 D CA 1.307 55.182 54.000 -0.208 0.000 0.839 790 D CB 0.055 40.624 40.800 -0.385 0.000 0.948 790 D HN 0.509 nan 8.370 nan 0.000 0.460 791 N N 0.937 119.561 118.700 -0.127 0.000 2.381 791 N HA -0.118 4.622 4.740 -0.000 0.000 0.182 791 N C 1.028 176.549 175.510 0.018 0.000 1.025 791 N CA 0.814 53.821 53.050 -0.071 0.000 0.888 791 N CB -0.138 38.290 38.487 -0.099 0.000 0.965 791 N HN 0.394 nan 8.380 nan 0.000 0.438 792 D N 0.243 120.681 120.400 0.064 0.000 2.213 792 D HA 0.040 4.680 4.640 -0.000 0.000 0.205 792 D C 1.867 178.241 176.300 0.122 0.000 0.961 792 D CA 0.400 54.490 54.000 0.149 0.000 0.853 792 D CB 0.021 40.995 40.800 0.290 0.000 0.967 792 D HN 0.212 nan 8.370 nan 0.000 0.496 793 I N 0.367 120.991 120.570 0.091 0.000 2.193 793 I HA 0.040 4.210 4.170 -0.000 0.000 0.240 793 I C 2.058 178.219 176.117 0.073 0.000 1.084 793 I CA 1.127 62.471 61.300 0.075 0.000 1.365 793 I CB -0.859 37.162 38.000 0.034 0.000 1.064 793 I HN 0.204 nan 8.210 nan 0.000 0.410 794 G N 0.754 109.599 108.800 0.075 0.000 2.559 794 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.282 794 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.282 794 G C 0.689 175.809 174.900 0.366 0.000 1.177 794 G CA 1.057 46.279 45.100 0.203 0.000 0.960 794 G HN 0.870 nan 8.290 nan 0.000 0.540 795 V N -2.316 117.774 119.914 0.294 0.000 3.276 795 V HA 0.716 4.836 4.120 -0.000 0.000 0.319 795 V C 0.949 177.117 176.094 0.124 0.000 1.427 795 V CA 1.052 63.502 62.300 0.250 0.000 1.102 795 V CB 0.379 32.246 31.823 0.072 0.000 1.020 795 V HN 1.180 nan 8.190 nan 0.000 0.456 796 S N 1.437 117.198 115.700 0.103 0.000 2.549 796 S HA 0.364 4.833 4.470 -0.000 0.000 0.286 796 S C -0.092 174.549 174.600 0.068 0.000 1.314 796 S CA 0.355 58.595 58.200 0.068 0.000 1.062 796 S CB 0.379 63.613 63.200 0.057 0.000 0.865 796 S HN 0.823 nan 8.310 nan 0.000 0.498 797 E N 1.129 121.361 120.200 0.054 0.000 2.340 797 E HA 0.537 4.887 4.350 -0.000 0.000 0.273 797 E C 0.519 177.150 176.600 0.052 0.000 0.891 797 E CA -0.444 55.990 56.400 0.057 0.000 0.757 797 E CB 1.398 31.131 29.700 0.054 0.000 1.231 797 E HN 0.570 nan 8.360 nan 0.000 0.439 798 A N 1.100 123.956 122.820 0.059 0.000 2.009 798 A HA -0.248 4.072 4.320 -0.000 0.000 0.222 798 A C 1.752 179.363 177.584 0.045 0.000 1.175 798 A CA 2.718 54.788 52.037 0.055 0.000 0.651 798 A CB -0.838 18.198 19.000 0.059 0.000 0.815 798 A HN 0.677 nan 8.150 nan 0.000 0.459 799 T N -3.081 111.498 114.554 0.041 0.000 3.031 799 T HA 0.205 4.555 4.350 -0.000 0.000 0.254 799 T C 1.048 175.762 174.700 0.024 0.000 1.060 799 T CA 0.449 62.568 62.100 0.032 0.000 1.135 799 T CB 0.123 69.008 68.868 0.030 0.000 0.896 799 T HN 0.353 nan 8.240 nan 0.000 0.472 800 R N 0.676 121.190 120.500 0.024 0.000 2.443 800 R HA 0.496 4.836 4.340 -0.000 0.000 0.287 800 R C -1.464 174.849 176.300 0.021 0.000 1.425 800 R CA -0.437 55.672 56.100 0.015 0.000 1.300 800 R CB 0.460 30.762 30.300 0.003 0.000 1.129 800 R HN 0.225 nan 8.270 nan 0.000 0.577 801 I N 1.767 122.350 120.570 0.021 0.000 2.416 801 I HA -0.005 4.165 4.170 -0.000 0.000 0.288 801 I C 0.248 176.371 176.117 0.010 0.000 1.051 801 I CA 0.152 61.467 61.300 0.024 0.000 1.375 801 I CB 0.838 38.855 38.000 0.028 0.000 1.407 801 I HN 0.313 nan 8.210 nan 0.000 0.516 802 D N 9.426 129.831 120.400 0.009 0.000 2.456 802 D HA 0.264 4.904 4.640 -0.000 0.000 0.219 802 D C -1.857 174.424 176.300 -0.031 0.000 1.126 802 D CA -2.363 51.632 54.000 -0.008 0.000 0.890 802 D CB 1.111 41.912 40.800 0.001 0.000 1.025 802 D HN 0.171 nan 8.370 nan 0.000 0.511 803 P HA -0.039 nan 4.420 nan 0.000 0.240 803 P C 0.344 177.572 177.300 -0.120 0.000 1.186 803 P CA 0.588 63.650 63.100 -0.063 0.000 0.755 803 P CB 0.249 31.919 31.700 -0.051 0.000 0.870 804 N N -0.931 117.689 118.700 -0.135 0.000 2.397 804 N HA 0.083 4.823 4.740 -0.000 0.000 0.190 804 N C 0.777 176.101 175.510 -0.309 0.000 1.099 804 N CA 0.010 52.926 53.050 -0.224 0.000 0.876 804 N CB 0.130 38.501 38.487 -0.193 0.000 1.143 804 N HN 0.034 nan 8.380 nan 0.000 0.468 805 A N 0.674 123.381 122.820 -0.188 0.000 2.586 805 A HA -0.085 4.235 4.320 -0.000 0.000 0.231 805 A C 0.856 178.277 177.584 -0.272 0.000 1.055 805 A CA 0.160 52.099 52.037 -0.163 0.000 0.756 805 A CB -0.035 18.945 19.000 -0.033 0.000 0.988 805 A HN 0.379 nan 8.150 nan 0.000 0.509 806 W N 1.499 122.572 121.300 -0.379 0.000 2.353 806 W HA -0.123 4.537 4.660 -0.000 0.000 0.319 806 W C 2.317 178.409 176.519 -0.711 0.000 1.207 806 W CA 1.550 58.410 57.345 -0.808 0.000 1.291 806 W CB -0.593 28.144 29.460 -1.204 0.000 1.159 806 W HN 0.565 nan 8.180 nan 0.000 0.478 807 V N 1.013 120.928 119.914 0.001 0.000 2.357 807 V HA -0.352 3.768 4.120 -0.000 0.000 0.257 807 V C 2.158 178.435 176.094 0.304 0.000 1.082 807 V CA 2.416 64.974 62.300 0.430 0.000 1.078 807 V CB -0.401 31.651 31.823 0.381 0.000 0.663 807 V HN 0.124 nan 8.190 nan 0.000 0.455 808 E N -0.532 119.730 120.200 0.104 0.000 2.216 808 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 808 E C 2.389 179.008 176.600 0.032 0.000 0.988 808 E CA 0.718 57.163 56.400 0.075 0.000 0.834 808 E CB -0.253 29.451 29.700 0.007 0.000 0.772 808 E HN 0.577 nan 8.360 nan 0.000 0.479 809 R N -0.683 119.769 120.500 -0.080 0.000 2.090 809 R HA -0.084 4.256 4.340 -0.000 0.000 0.228 809 R C 2.079 178.350 176.300 -0.049 0.000 1.110 809 R CA 0.753 56.761 56.100 -0.153 0.000 0.973 809 R CB -0.173 29.906 30.300 -0.367 0.000 0.869 809 R HN 0.256 nan 8.270 nan 0.000 0.440 810 W N 1.779 123.064 121.300 -0.025 0.000 2.353 810 W HA -0.087 4.573 4.660 -0.000 0.000 0.319 810 W C 2.070 178.571 176.519 -0.031 0.000 1.207 810 W CA 0.775 58.014 57.345 -0.177 0.000 1.291 810 W CB -0.757 28.669 29.460 -0.057 0.000 1.159 810 W HN 0.065 nan 8.180 nan 0.000 0.478 811 K N 0.040 120.694 120.400 0.423 0.000 2.044 811 K HA -0.147 4.173 4.320 -0.000 0.000 0.210 811 K C 2.114 178.835 176.600 0.202 0.000 1.049 811 K CA 1.895 58.411 56.287 0.383 0.000 0.927 811 K CB -0.696 31.999 32.500 0.324 0.000 0.713 811 K HN 0.011 nan 8.250 nan 0.000 0.443 812 A N 1.106 124.002 122.820 0.126 0.000 2.121 812 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 812 A C 2.204 179.784 177.584 -0.007 0.000 1.154 812 A CA 1.580 53.653 52.037 0.060 0.000 0.679 812 A CB -0.432 18.586 19.000 0.031 0.000 0.795 812 A HN 0.356 nan 8.150 nan 0.000 0.458 813 A N -2.021 120.800 122.820 0.002 0.000 1.975 813 A HA 0.386 4.706 4.320 -0.000 0.000 0.215 813 A C 2.023 179.482 177.584 -0.207 0.000 1.170 813 A CA 1.572 53.592 52.037 -0.028 0.000 0.656 813 A CB -0.545 18.456 19.000 0.001 0.000 0.821 813 A HN 1.718 nan 8.150 nan 0.000 0.449 814 G N -2.464 106.263 108.800 -0.123 0.000 2.238 814 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 814 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 814 G C 0.862 175.874 174.900 0.186 0.000 0.996 814 G CA 0.628 45.614 45.100 -0.191 0.000 0.632 814 G HN 0.590 nan 8.290 nan 0.000 0.503 815 H N -0.601 118.456 119.070 -0.020 0.000 2.337 815 H HA -0.270 4.286 4.556 -0.000 0.000 0.288 815 H C 2.163 177.455 175.328 -0.060 0.000 1.117 815 H CA 2.245 58.267 56.048 -0.043 0.000 1.205 815 H CB -0.069 29.597 29.762 -0.160 0.000 1.353 815 H HN 0.548 nan 8.280 nan 0.000 0.480 816 Y N 0.466 120.924 120.300 0.264 0.000 2.571 816 Y HA -0.107 4.443 4.550 -0.000 0.000 0.294 816 Y C 1.096 177.104 175.900 0.180 0.000 1.141 816 Y CA 1.036 59.243 58.100 0.177 0.000 1.308 816 Y CB 0.273 38.825 38.460 0.153 0.000 1.002 816 Y HN 0.437 nan 8.280 nan 0.000 0.551 817 Q N -1.604 118.404 119.800 0.347 0.000 2.163 817 Q HA 0.487 4.827 4.340 -0.000 0.000 0.267 817 Q C -0.492 175.699 176.000 0.318 0.000 0.833 817 Q CA -0.121 55.865 55.803 0.305 0.000 1.033 817 Q CB -0.004 28.896 28.738 0.270 0.000 1.318 817 Q HN 0.077 nan 8.270 nan 0.000 0.396 818 A N 1.327 124.355 122.820 0.346 0.000 2.309 818 A HA 0.523 4.843 4.320 -0.000 0.000 0.298 818 A C -0.117 177.685 177.584 0.363 0.000 1.165 818 A CA -0.532 51.709 52.037 0.340 0.000 0.821 818 A CB 0.458 19.617 19.000 0.264 0.000 1.102 818 A HN 0.374 nan 8.150 nan 0.000 0.500 819 E N 1.798 122.135 120.200 0.227 0.000 2.249 819 E HA 0.502 4.852 4.350 -0.000 0.000 0.280 819 E C -0.158 176.411 176.600 -0.051 0.000 1.016 819 E CA -0.596 55.885 56.400 0.135 0.000 0.830 819 E CB 1.277 31.019 29.700 0.071 0.000 1.081 819 E HN 0.648 nan 8.360 nan 0.000 0.395 820 A N 2.449 125.128 122.820 -0.234 0.000 2.454 820 A HA 0.456 4.776 4.320 -0.000 0.000 0.260 820 A C -0.146 177.277 177.584 -0.268 0.000 1.106 820 A CA -0.118 51.518 52.037 -0.669 0.000 0.780 820 A CB 0.170 18.904 19.000 -0.444 0.000 1.044 820 A HN 0.661 nan 8.150 nan 0.000 0.498 821 A N 3.309 125.964 122.820 -0.275 0.000 2.457 821 A HA 0.552 4.872 4.320 -0.000 0.000 0.283 821 A C -0.408 177.096 177.584 -0.132 0.000 1.166 821 A CA -0.537 51.422 52.037 -0.131 0.000 0.740 821 A CB 0.399 19.354 19.000 -0.075 0.000 1.181 821 A HN 1.242 nan 8.150 nan 0.000 0.446 822 L N 2.525 123.636 121.223 -0.186 0.000 2.559 822 L HA 0.175 4.515 4.340 -0.000 0.000 0.282 822 L C 0.430 177.197 176.870 -0.171 0.000 1.232 822 L CA 0.801 55.459 54.840 -0.303 0.000 0.885 822 L CB 0.380 42.247 42.059 -0.320 0.000 1.131 822 L HN 0.745 nan 8.230 nan 0.000 0.498 823 L N 3.147 124.275 121.223 -0.159 0.000 2.948 823 L HA 0.403 4.743 4.340 -0.000 0.000 0.259 823 L C -0.027 176.804 176.870 -0.064 0.000 1.136 823 L CA -0.215 54.581 54.840 -0.072 0.000 0.959 823 L CB -0.085 41.962 42.059 -0.018 0.000 1.370 823 L HN 0.730 nan 8.230 nan 0.000 0.552 824 Q N 0.288 120.026 119.800 -0.103 0.000 2.518 824 Q HA 0.371 4.711 4.340 -0.000 0.000 0.254 824 Q C -2.098 173.867 176.000 -0.058 0.000 0.962 824 Q CA -0.619 55.151 55.803 -0.055 0.000 0.982 824 Q CB 2.338 31.070 28.738 -0.009 0.000 1.516 824 Q HN 0.085 nan 8.270 nan 0.000 0.426 825 C N 3.679 122.975 119.300 -0.007 0.000 2.660 825 C HA 0.834 5.294 4.460 -0.000 0.000 0.336 825 C C -0.772 174.305 174.990 0.144 0.000 1.058 825 C CA 0.584 59.641 59.018 0.065 0.000 1.368 825 C CB 0.512 28.289 27.740 0.063 0.000 1.884 825 C HN 0.790 nan 8.230 nan 0.000 0.454 826 T N 2.891 117.488 114.554 0.071 0.000 2.893 826 T HA 0.850 5.200 4.350 -0.000 0.000 0.293 826 T C -0.426 174.138 174.700 -0.227 0.000 1.027 826 T CA -0.206 61.884 62.100 -0.017 0.000 0.988 826 T CB 1.802 70.656 68.868 -0.023 0.000 1.043 826 T HN 1.458 nan 8.240 nan 0.000 0.461 827 A N 2.461 124.995 122.820 -0.475 0.000 2.355 827 A HA 0.819 5.139 4.320 -0.000 0.000 0.324 827 A C -0.749 176.607 177.584 -0.380 0.000 1.117 827 A CA -0.662 50.979 52.037 -0.660 0.000 0.785 827 A CB 1.127 19.307 19.000 -1.367 0.000 1.254 827 A HN 0.947 nan 8.150 nan 0.000 0.453 828 D N 0.247 120.468 120.400 -0.298 0.000 2.655 828 D HA 0.422 5.062 4.640 -0.000 0.000 0.229 828 D C -1.293 174.907 176.300 -0.166 0.000 1.229 828 D CA -0.114 53.772 54.000 -0.190 0.000 0.807 828 D CB 2.457 43.179 40.800 -0.130 0.000 1.514 828 D HN 0.507 nan 8.370 nan 0.000 0.444 829 T N 1.056 115.535 114.554 -0.125 0.000 2.758 829 T HA 0.481 4.831 4.350 -0.000 0.000 0.285 829 T C -0.059 174.590 174.700 -0.085 0.000 0.981 829 T CA -0.757 61.278 62.100 -0.107 0.000 0.965 829 T CB 1.042 69.856 68.868 -0.091 0.000 0.927 829 T HN 0.060 nan 8.240 nan 0.000 0.448 830 L N 2.082 123.253 121.223 -0.086 0.000 2.334 830 L HA 0.651 4.991 4.340 -0.000 0.000 0.270 830 L C 1.702 178.533 176.870 -0.065 0.000 1.018 830 L CA -0.795 54.003 54.840 -0.069 0.000 0.811 830 L CB 0.463 42.482 42.059 -0.067 0.000 1.271 830 L HN 0.774 nan 8.230 nan 0.000 0.443 831 A N 2.001 124.788 122.820 -0.054 0.000 1.870 831 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 831 A C 1.282 178.831 177.584 -0.058 0.000 1.224 831 A CA 2.435 54.442 52.037 -0.051 0.000 0.650 831 A CB -0.909 18.065 19.000 -0.043 0.000 0.836 831 A HN 0.881 nan 8.150 nan 0.000 0.454 832 D N -1.794 118.571 120.400 -0.058 0.000 2.340 832 D HA 0.523 5.163 4.640 -0.000 0.000 0.220 832 D C 0.423 176.679 176.300 -0.073 0.000 1.039 832 D CA 0.812 54.776 54.000 -0.061 0.000 0.866 832 D CB 0.151 40.921 40.800 -0.049 0.000 0.913 832 D HN 0.798 nan 8.370 nan 0.000 0.523 833 A N -1.141 121.627 122.820 -0.085 0.000 2.343 833 A HA 0.484 4.804 4.320 -0.000 0.000 0.296 833 A C -1.824 175.687 177.584 -0.123 0.000 1.020 833 A CA -0.852 51.120 52.037 -0.109 0.000 0.579 833 A CB 0.296 19.233 19.000 -0.105 0.000 1.441 833 A HN 0.031 nan 8.150 nan 0.000 0.552 834 V N 0.477 120.297 119.914 -0.156 0.000 2.483 834 V HA 0.677 4.797 4.120 -0.000 0.000 0.295 834 V C -0.741 175.243 176.094 -0.183 0.000 1.035 834 V CA -0.397 61.794 62.300 -0.182 0.000 0.896 834 V CB 1.332 33.023 31.823 -0.220 0.000 0.986 834 V HN 1.115 nan 8.190 nan 0.000 0.447 835 L N 6.431 127.545 121.223 -0.183 0.000 2.349 835 L HA 0.638 4.978 4.340 -0.000 0.000 0.278 835 L C -0.712 176.036 176.870 -0.204 0.000 0.996 835 L CA 0.052 54.803 54.840 -0.148 0.000 0.825 835 L CB 1.231 43.234 42.059 -0.094 0.000 1.243 835 L HN 0.401 nan 8.230 nan 0.000 0.412 836 I N 3.549 124.009 120.570 -0.183 0.000 2.577 836 I HA 0.532 4.701 4.170 -0.000 0.000 0.305 836 I C -0.090 176.054 176.117 0.044 0.000 0.986 836 I CA -0.349 60.814 61.300 -0.228 0.000 1.189 836 I CB 1.784 39.434 38.000 -0.583 0.000 1.355 836 I HN 0.597 nan 8.210 nan 0.000 0.476 837 T N 2.718 117.300 114.554 0.046 0.000 3.170 837 T HA 0.338 4.688 4.350 -0.000 0.000 0.315 837 T C -0.094 174.701 174.700 0.157 0.000 0.967 837 T CA -0.562 61.617 62.100 0.131 0.000 1.024 837 T CB 1.443 70.343 68.868 0.055 0.000 1.018 837 T HN 0.833 nan 8.240 nan 0.000 0.449 838 T N 0.280 114.995 114.554 0.268 0.000 2.945 838 T HA 0.883 5.233 4.350 -0.000 0.000 0.286 838 T C -0.522 174.307 174.700 0.216 0.000 1.025 838 T CA -0.959 61.288 62.100 0.245 0.000 1.039 838 T CB 1.829 70.953 68.868 0.427 0.000 1.068 838 T HN 0.792 nan 8.240 nan 0.000 0.497 839 A N 2.384 125.273 122.820 0.116 0.000 2.579 839 A HA 0.590 4.910 4.320 -0.000 0.000 0.288 839 A C -1.260 176.340 177.584 0.027 0.000 1.079 839 A CA -0.907 51.218 52.037 0.147 0.000 0.889 839 A CB 0.177 19.216 19.000 0.065 0.000 1.439 839 A HN 0.976 nan 8.150 nan 0.000 0.399 840 H N 0.664 119.790 119.070 0.093 0.000 2.573 840 H HA 0.861 5.417 4.556 -0.000 0.000 0.351 840 H C 0.044 175.402 175.328 0.049 0.000 1.163 840 H CA -0.908 55.105 56.048 -0.058 0.000 1.205 840 H CB 1.752 31.294 29.762 -0.365 0.000 1.605 840 H HN 0.871 nan 8.280 nan 0.000 0.525 841 A N 2.002 124.860 122.820 0.063 0.000 2.335 841 A HA 0.386 4.706 4.320 -0.000 0.000 0.304 841 A C -1.207 176.435 177.584 0.097 0.000 1.118 841 A CA -0.763 51.371 52.037 0.163 0.000 0.757 841 A CB 0.843 19.902 19.000 0.099 0.000 1.188 841 A HN 0.602 nan 8.150 nan 0.000 0.460 842 W N 2.172 123.544 121.300 0.121 0.000 2.351 842 W HA 0.463 5.123 4.660 -0.000 0.000 0.311 842 W C -0.108 176.377 176.519 -0.057 0.000 1.168 842 W CA -0.027 57.358 57.345 0.067 0.000 1.200 842 W CB 1.636 31.143 29.460 0.078 0.000 1.221 842 W HN 0.816 nan 8.180 nan 0.000 0.519 843 Q N 1.220 121.131 119.800 0.184 0.000 2.687 843 Q HA 0.482 4.822 4.340 -0.000 0.000 0.305 843 Q C -1.118 174.986 176.000 0.173 0.000 1.006 843 Q CA -1.018 54.852 55.803 0.113 0.000 0.763 843 Q CB 3.392 32.176 28.738 0.075 0.000 1.506 843 Q HN 0.362 nan 8.270 nan 0.000 0.459 844 H N 0.941 120.026 119.070 0.025 0.000 3.155 844 H HA 0.047 4.603 4.556 -0.000 0.000 0.328 844 H C -1.243 174.109 175.328 0.040 0.000 1.059 844 H CA -0.099 55.975 56.048 0.043 0.000 1.378 844 H CB 1.434 31.226 29.762 0.049 0.000 1.998 844 H HN 0.864 nan 8.280 nan 0.000 0.480 845 Q N 3.277 123.062 119.800 -0.025 0.000 2.434 845 Q HA -0.246 4.094 4.340 -0.000 0.000 0.299 845 Q C 0.717 176.769 176.000 0.087 0.000 1.286 845 Q CA 1.773 57.616 55.803 0.066 0.000 0.872 845 Q CB -1.554 27.322 28.738 0.230 0.000 1.193 845 Q HN 1.285 nan 8.270 nan 0.000 0.466 846 G N -0.064 108.770 108.800 0.057 0.000 2.234 846 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.260 846 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.260 846 G C -0.024 174.912 174.900 0.060 0.000 0.987 846 G CA 0.792 45.923 45.100 0.050 0.000 0.625 846 G HN 0.583 nan 8.290 nan 0.000 0.532 847 K N 1.452 121.901 120.400 0.082 0.000 2.183 847 K HA 0.607 4.927 4.320 -0.000 0.000 0.274 847 K C 0.047 176.672 176.600 0.043 0.000 1.009 847 K CA -0.061 56.264 56.287 0.063 0.000 0.888 847 K CB 0.838 33.376 32.500 0.064 0.000 1.078 847 K HN 0.018 nan 8.250 nan 0.000 0.459 848 T N 6.098 120.668 114.554 0.028 0.000 2.727 848 T HA 0.167 4.517 4.350 -0.000 0.000 0.295 848 T C 1.222 175.883 174.700 -0.066 0.000 0.915 848 T CA -0.490 61.617 62.100 0.011 0.000 1.066 848 T CB 0.280 69.177 68.868 0.048 0.000 0.891 848 T HN 0.534 nan 8.240 nan 0.000 0.516 849 L N 1.849 122.924 121.223 -0.246 0.000 2.049 849 L HA 0.238 4.578 4.340 -0.000 0.000 0.203 849 L C 0.111 176.661 176.870 -0.534 0.000 1.074 849 L CA 1.071 55.544 54.840 -0.613 0.000 0.749 849 L CB -0.237 40.941 42.059 -1.469 0.000 0.907 849 L HN 0.470 nan 8.230 nan 0.000 0.439 850 F N -1.158 118.750 119.950 -0.069 0.000 2.640 850 F HA 0.619 5.146 4.527 -0.000 0.000 0.324 850 F C -0.314 175.574 175.800 0.146 0.000 1.077 850 F CA -1.374 56.540 58.000 -0.143 0.000 0.965 850 F CB 1.468 40.036 39.000 -0.720 0.000 1.351 850 F HN -0.294 nan 8.300 nan 0.000 0.487 851 I N 1.288 122.074 120.570 0.361 0.000 2.540 851 I HA 0.166 4.336 4.170 -0.000 0.000 0.280 851 I C -0.889 175.471 176.117 0.404 0.000 1.083 851 I CA -0.212 61.315 61.300 0.379 0.000 1.080 851 I CB 1.729 39.872 38.000 0.238 0.000 1.205 851 I HN 0.530 nan 8.210 nan 0.000 0.459 852 S N 6.489 122.567 115.700 0.630 0.000 2.438 852 S HA 0.501 4.971 4.470 -0.000 0.000 0.293 852 S C -0.265 174.607 174.600 0.452 0.000 1.141 852 S CA -0.524 58.023 58.200 0.578 0.000 1.080 852 S CB 0.366 64.008 63.200 0.737 0.000 0.978 852 S HN 0.483 nan 8.310 nan 0.000 0.479 853 R N 4.298 124.981 120.500 0.305 0.000 2.310 853 R HA 0.356 4.696 4.340 -0.000 0.000 0.316 853 R C -0.520 175.870 176.300 0.150 0.000 1.004 853 R CA -0.570 55.666 56.100 0.228 0.000 0.900 853 R CB 1.355 31.757 30.300 0.170 0.000 1.152 853 R HN 0.569 nan 8.270 nan 0.000 0.513 854 K N 0.721 121.229 120.400 0.179 0.000 2.280 854 K HA 0.575 4.895 4.320 -0.000 0.000 0.234 854 K C -0.132 176.507 176.600 0.066 0.000 1.028 854 K CA -0.916 55.391 56.287 0.033 0.000 0.882 854 K CB 1.794 34.241 32.500 -0.089 0.000 1.194 854 K HN 0.431 nan 8.250 nan 0.000 0.458 855 T N -1.171 113.329 114.554 -0.090 0.000 3.295 855 T HA 0.405 4.755 4.350 -0.000 0.000 0.331 855 T C -1.435 173.220 174.700 -0.075 0.000 1.142 855 T CA -0.860 61.261 62.100 0.036 0.000 1.078 855 T CB 0.180 69.063 68.868 0.026 0.000 1.150 855 T HN 0.400 nan 8.240 nan 0.000 0.465 856 Y N 1.568 121.912 120.300 0.073 0.000 2.453 856 Y HA 0.831 5.381 4.550 -0.000 0.000 0.326 856 Y C 0.838 176.725 175.900 -0.021 0.000 1.186 856 Y CA -1.621 56.532 58.100 0.088 0.000 1.200 856 Y CB 1.412 40.023 38.460 0.251 0.000 1.247 856 Y HN 0.906 nan 8.280 nan 0.000 0.482 857 R N 2.403 122.972 120.500 0.114 0.000 2.912 857 R HA 0.430 4.770 4.340 -0.000 0.000 0.278 857 R C -2.316 173.941 176.300 -0.071 0.000 1.533 857 R CA -0.161 55.933 56.100 -0.009 0.000 1.061 857 R CB 0.230 30.526 30.300 -0.006 0.000 1.313 857 R HN 0.764 nan 8.270 nan 0.000 0.443 858 I N 4.185 124.639 120.570 -0.194 0.000 2.331 858 I HA 0.272 4.442 4.170 -0.000 0.000 0.292 858 I C -0.004 175.973 176.117 -0.234 0.000 0.998 858 I CA -0.676 60.430 61.300 -0.324 0.000 1.267 858 I CB 1.083 38.691 38.000 -0.653 0.000 1.386 858 I HN 0.627 nan 8.210 nan 0.000 0.476 859 D N 4.315 124.615 120.400 -0.168 0.000 2.449 859 D HA 0.250 4.890 4.640 -0.000 0.000 0.250 859 D C 1.183 177.428 176.300 -0.091 0.000 1.050 859 D CA -0.756 53.179 54.000 -0.108 0.000 1.024 859 D CB 1.230 41.996 40.800 -0.058 0.000 1.218 859 D HN 0.535 nan 8.370 nan 0.000 0.566 860 G N -1.057 107.706 108.800 -0.062 0.000 2.501 860 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 860 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 860 G C 1.106 176.006 174.900 -0.000 0.000 1.114 860 G CA 1.158 46.236 45.100 -0.036 0.000 0.757 860 G HN 0.553 nan 8.290 nan 0.000 0.559 861 S N -1.132 114.570 115.700 0.003 0.000 2.548 861 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 861 S C 1.668 176.296 174.600 0.046 0.000 0.976 861 S CA 0.831 59.049 58.200 0.031 0.000 0.908 861 S CB 0.177 63.398 63.200 0.034 0.000 0.781 861 S HN 1.450 nan 8.310 nan 0.000 0.519 862 G N 0.932 109.750 108.800 0.029 0.000 2.182 862 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.248 862 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.248 862 G C -0.360 174.607 174.900 0.110 0.000 1.042 862 G CA -0.145 45.008 45.100 0.087 0.000 0.775 862 G HN 0.584 nan 8.290 nan 0.000 0.501 863 Q N -0.385 119.440 119.800 0.042 0.000 2.372 863 Q HA 0.586 4.926 4.340 -0.000 0.000 0.259 863 Q C 0.588 176.610 176.000 0.036 0.000 0.993 863 Q CA -0.522 55.325 55.803 0.074 0.000 0.854 863 Q CB 1.369 30.148 28.738 0.069 0.000 1.231 863 Q HN 0.566 nan 8.270 nan 0.000 0.462 864 M N 1.975 121.631 119.600 0.094 0.000 2.242 864 M HA 0.511 4.991 4.480 -0.000 0.000 0.344 864 M C -1.107 175.285 176.300 0.154 0.000 1.140 864 M CA -0.011 55.342 55.300 0.089 0.000 1.160 864 M CB 0.656 33.372 32.600 0.193 0.000 1.491 864 M HN 0.647 nan 8.290 nan 0.000 0.459 865 A N 7.190 130.084 122.820 0.122 0.000 2.410 865 A HA 0.585 4.905 4.320 -0.000 0.000 0.289 865 A C -0.814 176.805 177.584 0.058 0.000 1.200 865 A CA -0.835 51.264 52.037 0.102 0.000 0.751 865 A CB 0.417 19.457 19.000 0.066 0.000 1.161 865 A HN 0.890 nan 8.150 nan 0.000 0.459 866 I N 1.105 121.696 120.570 0.035 0.000 2.472 866 I HA 0.491 4.661 4.170 -0.000 0.000 0.290 866 I C -0.006 175.986 176.117 -0.209 0.000 1.016 866 I CA -0.155 61.057 61.300 -0.146 0.000 1.348 866 I CB 1.555 39.454 38.000 -0.168 0.000 1.417 866 I HN 0.443 nan 8.210 nan 0.000 0.521 867 T N 4.838 119.205 114.554 -0.313 0.000 3.050 867 T HA 0.394 4.744 4.350 -0.000 0.000 0.310 867 T C -0.465 174.003 174.700 -0.386 0.000 0.978 867 T CA -0.390 61.520 62.100 -0.317 0.000 1.013 867 T CB 1.497 70.271 68.868 -0.157 0.000 1.000 867 T HN 0.307 nan 8.240 nan 0.000 0.447 868 V N 3.194 122.749 119.914 -0.599 0.000 2.483 868 V HA 0.618 4.738 4.120 -0.000 0.000 0.295 868 V C -0.322 175.583 176.094 -0.314 0.000 1.035 868 V CA -0.792 61.205 62.300 -0.506 0.000 0.896 868 V CB 1.828 33.156 31.823 -0.825 0.000 0.986 868 V HN 0.791 nan 8.190 nan 0.000 0.447 869 D N 2.858 123.239 120.400 -0.033 0.000 2.336 869 D HA 0.332 4.972 4.640 -0.000 0.000 0.248 869 D C -0.555 175.855 176.300 0.183 0.000 1.326 869 D CA -0.062 53.999 54.000 0.101 0.000 0.973 869 D CB 2.276 43.148 40.800 0.119 0.000 1.255 869 D HN 0.342 nan 8.370 nan 0.000 0.558 870 V N 0.971 121.032 119.914 0.245 0.000 2.834 870 V HA 0.378 4.498 4.120 -0.000 0.000 0.301 870 V C 0.560 176.748 176.094 0.157 0.000 1.066 870 V CA -0.343 62.089 62.300 0.219 0.000 1.052 870 V CB 1.796 33.747 31.823 0.213 0.000 1.021 870 V HN 0.375 nan 8.190 nan 0.000 0.480 871 E N 1.374 121.647 120.200 0.123 0.000 2.317 871 E HA 0.483 4.833 4.350 -0.000 0.000 0.270 871 E C -1.859 174.807 176.600 0.108 0.000 0.899 871 E CA -0.325 56.136 56.400 0.102 0.000 0.814 871 E CB 2.225 31.994 29.700 0.115 0.000 1.296 871 E HN 0.545 nan 8.360 nan 0.000 0.404 872 V N 2.126 122.100 119.914 0.100 0.000 2.435 872 V HA 0.537 4.657 4.120 -0.000 0.000 0.290 872 V C 0.348 176.523 176.094 0.134 0.000 1.030 872 V CA -0.880 61.514 62.300 0.157 0.000 0.881 872 V CB 1.452 33.337 31.823 0.104 0.000 0.983 872 V HN 0.767 nan 8.190 nan 0.000 0.445 873 A N 3.493 126.406 122.820 0.154 0.000 2.454 873 A HA 0.406 4.726 4.320 -0.000 0.000 0.260 873 A C 1.588 179.248 177.584 0.126 0.000 1.106 873 A CA 0.397 52.500 52.037 0.111 0.000 0.780 873 A CB 0.228 19.279 19.000 0.085 0.000 1.044 873 A HN 1.306 nan 8.150 nan 0.000 0.498 874 S N 2.326 118.083 115.700 0.096 0.000 2.389 874 S HA -0.257 4.213 4.470 -0.000 0.000 0.229 874 S C 0.929 175.618 174.600 0.149 0.000 1.048 874 S CA 1.673 59.936 58.200 0.105 0.000 1.117 874 S CB -0.845 62.400 63.200 0.075 0.000 1.020 874 S HN 0.843 nan 8.310 nan 0.000 0.430 875 D N 1.414 121.886 120.400 0.120 0.000 2.636 875 D HA 0.160 4.799 4.640 -0.000 0.000 0.256 875 D C 0.031 176.420 176.300 0.148 0.000 1.280 875 D CA 0.287 54.358 54.000 0.118 0.000 0.910 875 D CB -0.873 39.975 40.800 0.079 0.000 1.045 875 D HN 0.359 nan 8.370 nan 0.000 0.472 876 T N 0.707 115.396 114.554 0.226 0.000 3.031 876 T HA 0.330 4.680 4.350 -0.000 0.000 0.305 876 T C -2.875 172.090 174.700 0.441 0.000 0.985 876 T CA -1.846 60.429 62.100 0.293 0.000 1.008 876 T CB 1.205 70.251 68.868 0.296 0.000 1.005 876 T HN -0.223 nan 8.240 nan 0.000 0.444 877 P HA -0.114 nan 4.420 nan 0.000 0.258 877 P C -0.481 177.230 177.300 0.685 0.000 1.128 877 P CA 0.348 63.684 63.100 0.394 0.000 0.760 877 P CB -0.075 31.738 31.700 0.188 0.000 0.715 878 H N 4.581 123.941 119.070 0.483 0.000 3.187 878 H HA 0.025 4.581 4.556 -0.000 0.000 0.286 878 H C -1.613 173.966 175.328 0.420 0.000 0.944 878 H CA -1.613 54.648 56.048 0.355 0.000 1.429 878 H CB -1.112 28.791 29.762 0.234 0.000 1.483 878 H HN 0.368 nan 8.280 nan 0.000 0.555 879 P HA -0.019 nan 4.420 nan 0.000 0.268 879 P C 0.509 177.823 177.300 0.023 0.000 1.208 879 P CA -0.045 63.191 63.100 0.227 0.000 0.777 879 P CB 0.802 32.408 31.700 -0.156 0.000 0.875 880 A N 3.397 126.052 122.820 -0.275 0.000 1.902 880 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 880 A C 1.179 178.563 177.584 -0.334 0.000 1.181 880 A CA 1.652 53.488 52.037 -0.336 0.000 0.623 880 A CB -0.540 17.925 19.000 -0.892 0.000 0.818 880 A HN 0.775 nan 8.150 nan 0.000 0.443 881 R N -2.615 117.621 120.500 -0.441 0.000 2.716 881 R HA 0.719 5.059 4.340 -0.000 0.000 0.271 881 R C -1.906 174.162 176.300 -0.386 0.000 1.028 881 R CA -0.777 55.017 56.100 -0.508 0.000 0.883 881 R CB 0.775 30.589 30.300 -0.810 0.000 1.250 881 R HN 0.048 nan 8.270 nan 0.000 0.465 882 I N 1.869 122.230 120.570 -0.348 0.000 2.542 882 I HA 0.567 4.737 4.170 -0.000 0.000 0.278 882 I C -0.431 175.454 176.117 -0.387 0.000 1.069 882 I CA -0.370 60.774 61.300 -0.260 0.000 1.100 882 I CB 1.694 39.562 38.000 -0.219 0.000 1.204 882 I HN 1.017 nan 8.210 nan 0.000 0.470 883 G N 5.849 114.393 108.800 -0.426 0.000 2.694 883 G HA2 0.740 4.700 3.960 -0.000 0.000 0.246 883 G HA3 0.740 4.700 3.960 -0.000 0.000 0.246 883 G C -1.639 173.114 174.900 -0.244 0.000 1.205 883 G CA -0.450 44.417 45.100 -0.389 0.000 0.891 883 G HN 0.263 nan 8.290 nan 0.000 0.515 884 L N 0.689 121.808 121.223 -0.173 0.000 2.403 884 L HA 0.624 4.964 4.340 -0.000 0.000 0.253 884 L C -1.091 175.701 176.870 -0.131 0.000 1.045 884 L CA -1.143 53.617 54.840 -0.133 0.000 0.845 884 L CB 2.722 44.788 42.059 0.012 0.000 1.447 884 L HN 0.852 nan 8.230 nan 0.000 0.411 885 N N 0.312 118.959 118.700 -0.088 0.000 2.708 885 N HA 0.708 5.448 4.740 -0.000 0.000 0.257 885 N C -1.345 174.195 175.510 0.051 0.000 1.373 885 N CA -0.559 52.486 53.050 -0.010 0.000 0.843 885 N CB 2.392 40.892 38.487 0.021 0.000 1.503 885 N HN 0.857 nan 8.380 nan 0.000 0.504 886 C N -1.364 117.993 119.300 0.095 0.000 3.302 886 C HA 0.535 4.995 4.460 -0.000 0.000 0.347 886 C C -1.166 173.686 174.990 -0.230 0.000 1.218 886 C CA -0.814 58.200 59.018 -0.007 0.000 1.234 886 C CB 0.936 28.701 27.740 0.041 0.000 1.551 886 C HN 0.878 nan 8.230 nan 0.000 0.501 887 Q N 2.032 121.502 119.800 -0.551 0.000 2.360 887 Q HA 0.594 4.934 4.340 -0.000 0.000 0.254 887 Q C -0.879 174.860 176.000 -0.436 0.000 0.975 887 Q CA -0.444 54.835 55.803 -0.873 0.000 0.912 887 Q CB 0.746 28.653 28.738 -1.385 0.000 1.212 887 Q HN 0.802 nan 8.270 nan 0.000 0.452 888 L N 3.429 124.470 121.223 -0.303 0.000 2.367 888 L HA 0.213 4.553 4.340 -0.000 0.000 0.275 888 L C 1.270 178.021 176.870 -0.197 0.000 1.129 888 L CA -0.242 54.495 54.840 -0.172 0.000 0.839 888 L CB 0.915 42.936 42.059 -0.064 0.000 1.133 888 L HN 0.853 nan 8.230 nan 0.000 0.453 889 A N 3.091 125.801 122.820 -0.182 0.000 1.978 889 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 889 A C 1.234 178.735 177.584 -0.138 0.000 1.170 889 A CA 0.979 52.917 52.037 -0.166 0.000 0.636 889 A CB -0.267 18.636 19.000 -0.162 0.000 0.810 889 A HN 0.814 nan 8.150 nan 0.000 0.448 890 Q N -0.993 118.722 119.800 -0.142 0.000 2.471 890 Q HA 0.455 4.795 4.340 -0.000 0.000 0.223 890 Q C -1.051 174.865 176.000 -0.141 0.000 1.045 890 Q CA 0.446 56.151 55.803 -0.163 0.000 0.956 890 Q CB 0.791 29.388 28.738 -0.235 0.000 1.249 890 Q HN 0.199 nan 8.270 nan 0.000 0.549 891 V N 1.959 121.774 119.914 -0.165 0.000 2.735 891 V HA 0.601 4.721 4.120 -0.000 0.000 0.276 891 V C -0.932 175.121 176.094 -0.068 0.000 1.083 891 V CA -0.049 62.230 62.300 -0.035 0.000 0.923 891 V CB 1.017 32.830 31.823 -0.018 0.000 1.053 891 V HN 0.917 nan 8.190 nan 0.000 0.471 892 A N 3.398 126.188 122.820 -0.051 0.000 2.420 892 A HA 0.876 5.196 4.320 -0.000 0.000 0.291 892 A C 0.737 178.438 177.584 0.195 0.000 1.228 892 A CA -0.241 51.797 52.037 0.002 0.000 0.933 892 A CB 0.973 19.861 19.000 -0.187 0.000 1.428 892 A HN 0.624 nan 8.150 nan 0.000 0.493 893 E N -0.428 119.865 120.200 0.154 0.000 2.340 893 E HA 0.099 4.449 4.350 -0.000 0.000 0.198 893 E C 0.122 176.814 176.600 0.152 0.000 0.961 893 E CA 0.505 56.981 56.400 0.128 0.000 0.905 893 E CB 0.341 30.085 29.700 0.074 0.000 0.884 893 E HN 0.491 nan 8.360 nan 0.000 0.491 894 R N 0.206 120.826 120.500 0.201 0.000 2.888 894 R HA 0.610 4.950 4.340 -0.000 0.000 0.266 894 R C -0.632 175.812 176.300 0.240 0.000 1.020 894 R CA -0.745 55.468 56.100 0.187 0.000 0.963 894 R CB 2.357 32.748 30.300 0.151 0.000 1.197 894 R HN -0.197 nan 8.270 nan 0.000 0.481 895 V N 1.453 121.491 119.914 0.206 0.000 2.769 895 V HA 0.455 4.575 4.120 -0.000 0.000 0.312 895 V C -0.601 175.714 176.094 0.368 0.000 1.061 895 V CA -0.881 61.553 62.300 0.224 0.000 0.931 895 V CB 2.069 33.944 31.823 0.087 0.000 1.010 895 V HN 0.781 nan 8.190 nan 0.000 0.433 896 N N 2.984 121.927 118.700 0.405 0.000 2.503 896 N HA 0.377 5.117 4.740 -0.000 0.000 0.287 896 N C -1.529 174.252 175.510 0.451 0.000 1.096 896 N CA -0.559 52.718 53.050 0.377 0.000 0.936 896 N CB 2.227 40.820 38.487 0.177 0.000 1.570 896 N HN 0.816 nan 8.380 nan 0.000 0.504 897 W N 3.094 124.445 121.300 0.083 0.000 3.062 897 W HA 0.714 5.374 4.660 -0.000 0.000 0.336 897 W C -1.921 174.578 176.519 -0.034 0.000 1.224 897 W CA -1.165 56.218 57.345 0.063 0.000 1.159 897 W CB 0.975 30.538 29.460 0.171 0.000 1.454 897 W HN 0.276 nan 8.180 nan 0.000 0.569 898 L N 3.693 124.861 121.223 -0.091 0.000 2.318 898 L HA 0.902 5.242 4.340 -0.000 0.000 0.277 898 L C -0.027 176.640 176.870 -0.338 0.000 1.008 898 L CA 0.336 54.942 54.840 -0.389 0.000 0.846 898 L CB 0.828 42.760 42.059 -0.212 0.000 1.220 898 L HN 1.022 nan 8.230 nan 0.000 0.423 899 G N 3.538 111.938 108.800 -0.667 0.000 2.360 899 G HA2 0.143 4.103 3.960 -0.000 0.000 0.276 899 G HA3 0.143 4.103 3.960 -0.000 0.000 0.276 899 G C -1.473 173.378 174.900 -0.081 0.000 1.256 899 G CA -1.090 43.798 45.100 -0.353 0.000 0.890 899 G HN 0.341 nan 8.290 nan 0.000 0.486 900 L N 1.956 123.303 121.223 0.206 0.000 2.565 900 L HA 0.485 4.825 4.340 -0.000 0.000 0.275 900 L C 1.069 177.960 176.870 0.036 0.000 1.137 900 L CA 0.821 55.752 54.840 0.153 0.000 0.915 900 L CB -0.521 41.586 42.059 0.080 0.000 1.232 900 L HN 0.957 nan 8.230 nan 0.000 0.473 901 G N 4.075 112.675 108.800 -0.332 0.000 2.706 901 G HA2 0.429 4.389 3.960 -0.000 0.000 0.307 901 G HA3 0.429 4.389 3.960 -0.000 0.000 0.307 901 G C -2.665 171.344 174.900 -1.485 0.000 1.307 901 G CA -0.331 44.104 45.100 -1.108 0.000 0.790 901 G HN 0.249 nan 8.290 nan 0.000 0.503 902 P HA 0.151 nan 4.420 nan 0.000 0.255 902 P C 0.139 177.199 177.300 -0.399 0.000 1.248 902 P CA 0.490 62.975 63.100 -1.025 0.000 0.807 902 P CB 0.554 31.805 31.700 -0.749 0.000 1.150 903 Q N 0.224 119.798 119.800 -0.376 0.000 2.195 903 Q HA 0.218 4.558 4.340 -0.000 0.000 0.250 903 Q C 0.120 175.976 176.000 -0.241 0.000 0.988 903 Q CA -0.912 54.739 55.803 -0.255 0.000 0.911 903 Q CB 1.321 29.937 28.738 -0.203 0.000 1.258 903 Q HN 0.098 nan 8.270 nan 0.000 0.475 904 E N 1.383 121.459 120.200 -0.208 0.000 2.568 904 E HA -0.125 4.225 4.350 -0.000 0.000 0.262 904 E C -1.118 175.405 176.600 -0.128 0.000 0.961 904 E CA 0.434 56.725 56.400 -0.182 0.000 0.945 904 E CB 0.203 29.862 29.700 -0.069 0.000 0.924 904 E HN 0.611 nan 8.360 nan 0.000 0.467 905 N N 2.628 121.196 118.700 -0.220 0.000 2.452 905 N HA 0.233 4.973 4.740 -0.000 0.000 0.277 905 N C -1.885 173.436 175.510 -0.316 0.000 1.078 905 N CA -0.687 52.288 53.050 -0.125 0.000 0.947 905 N CB 0.488 38.895 38.487 -0.133 0.000 1.655 905 N HN 0.191 nan 8.380 nan 0.000 0.490 906 Y N 0.821 121.011 120.300 -0.184 0.000 2.568 906 Y HA 0.532 5.082 4.550 -0.000 0.000 0.327 906 Y C -1.427 174.398 175.900 -0.125 0.000 1.163 906 Y CA -2.083 55.894 58.100 -0.206 0.000 1.219 906 Y CB 0.885 39.187 38.460 -0.264 0.000 1.308 906 Y HN 0.417 nan 8.280 nan 0.000 0.503 907 P HA -0.201 nan 4.420 nan 0.000 0.215 907 P C 0.451 177.799 177.300 0.080 0.000 1.163 907 P CA 2.174 65.357 63.100 0.138 0.000 0.894 907 P CB 0.101 31.965 31.700 0.273 0.000 0.791 908 D N -1.692 118.534 120.400 -0.289 0.000 2.370 908 D HA -0.013 4.627 4.640 -0.000 0.000 0.230 908 D C 0.653 176.791 176.300 -0.270 0.000 1.143 908 D CA -0.050 53.511 54.000 -0.731 0.000 0.834 908 D CB -0.433 39.441 40.800 -1.543 0.000 0.944 908 D HN 0.172 nan 8.370 nan 0.000 0.504 909 R N 0.958 121.411 120.500 -0.079 0.000 2.570 909 R HA 0.193 4.533 4.340 -0.000 0.000 0.246 909 R C -0.665 175.658 176.300 0.038 0.000 1.417 909 R CA -0.199 55.897 56.100 -0.006 0.000 1.525 909 R CB -0.181 30.101 30.300 -0.029 0.000 1.403 909 R HN 0.162 nan 8.270 nan 0.000 0.754 910 L N -2.036 119.221 121.223 0.056 0.000 3.510 910 L HA 0.398 4.738 4.340 -0.000 0.000 0.324 910 L C 1.045 177.956 176.870 0.069 0.000 1.307 910 L CA -0.157 54.711 54.840 0.046 0.000 1.011 910 L CB 0.613 42.690 42.059 0.030 0.000 1.422 910 L HN 0.040 nan 8.230 nan 0.000 0.617 911 T N -2.769 111.850 114.554 0.108 0.000 2.821 911 T HA -0.001 4.349 4.350 -0.000 0.000 0.267 911 T C 1.764 176.481 174.700 0.028 0.000 1.046 911 T CA 1.298 63.477 62.100 0.133 0.000 1.139 911 T CB -0.315 68.686 68.868 0.222 0.000 0.871 911 T HN 0.408 nan 8.240 nan 0.000 0.454 912 A N 1.629 124.486 122.820 0.061 0.000 2.119 912 A HA 0.647 4.967 4.320 -0.000 0.000 0.216 912 A C 1.575 179.203 177.584 0.074 0.000 1.152 912 A CA 0.437 52.507 52.037 0.055 0.000 0.708 912 A CB -0.905 18.274 19.000 0.299 0.000 0.805 912 A HN 0.818 nan 8.150 nan 0.000 0.460 913 A N -0.137 122.678 122.820 -0.007 0.000 2.440 913 A HA 0.438 4.758 4.320 -0.000 0.000 0.251 913 A C 0.468 178.022 177.584 -0.049 0.000 1.089 913 A CA 0.168 52.157 52.037 -0.080 0.000 0.779 913 A CB -0.573 18.384 19.000 -0.072 0.000 1.022 913 A HN 1.010 nan 8.150 nan 0.000 0.492 914 C N 0.858 120.109 119.300 -0.082 0.000 2.411 914 C HA 0.727 5.187 4.460 -0.000 0.000 0.330 914 C C -0.113 174.935 174.990 0.098 0.000 1.224 914 C CA -1.225 57.793 59.018 0.000 0.000 1.770 914 C CB -0.208 27.521 27.740 -0.018 0.000 2.297 914 C HN 0.766 nan 8.230 nan 0.000 0.507 915 F N 3.113 122.885 119.950 -0.296 0.000 2.438 915 F HA 0.532 5.059 4.527 -0.000 0.000 0.360 915 F C 0.113 175.591 175.800 -0.537 0.000 1.118 915 F CA 1.079 58.796 58.000 -0.472 0.000 1.164 915 F CB -0.214 38.132 39.000 -1.091 0.000 1.131 915 F HN 0.923 nan 8.300 nan 0.000 0.527 916 D N 3.130 122.934 120.400 -0.993 0.000 3.182 916 D HA 0.259 4.899 4.640 -0.000 0.000 0.352 916 D C -1.561 173.777 176.300 -1.602 0.000 1.421 916 D CA -0.758 52.530 54.000 -1.186 0.000 0.912 916 D CB 1.051 41.175 40.800 -1.127 0.000 1.461 916 D HN 0.482 nan 8.370 nan 0.000 0.548 917 R N 0.731 120.332 120.500 -1.498 0.000 2.215 917 R HA 0.485 4.825 4.340 -0.000 0.000 0.337 917 R C -1.207 174.245 176.300 -1.413 0.000 1.010 917 R CA -0.500 54.872 56.100 -1.214 0.000 0.871 917 R CB 0.225 30.122 30.300 -0.671 0.000 1.134 917 R HN 0.329 nan 8.270 nan 0.000 0.477 918 W N 3.407 124.134 121.300 -0.954 0.000 2.390 918 W HA 0.261 4.921 4.660 -0.000 0.000 0.312 918 W C -0.160 175.959 176.519 -0.666 0.000 1.123 918 W CA -0.741 55.919 57.345 -1.141 0.000 1.202 918 W CB 1.430 29.342 29.460 -2.581 0.000 1.251 918 W HN 0.439 nan 8.180 nan 0.000 0.511 919 D N 4.174 124.546 120.400 -0.047 0.000 2.378 919 D HA 0.363 5.003 4.640 -0.000 0.000 0.265 919 D C -1.122 175.285 176.300 0.179 0.000 1.229 919 D CA -0.082 53.980 54.000 0.103 0.000 0.914 919 D CB 0.159 40.977 40.800 0.029 0.000 1.140 919 D HN 0.248 nan 8.370 nan 0.000 0.516 920 L N 1.927 123.331 121.223 0.302 0.000 2.286 920 L HA 0.643 4.983 4.340 -0.000 0.000 0.265 920 L C -2.112 174.853 176.870 0.158 0.000 1.012 920 L CA -2.533 52.434 54.840 0.213 0.000 0.818 920 L CB 2.031 44.238 42.059 0.247 0.000 1.337 920 L HN 0.070 nan 8.230 nan 0.000 0.438 921 P HA 0.031 nan 4.420 nan 0.000 0.271 921 P C 0.532 177.864 177.300 0.053 0.000 1.226 921 P CA -0.105 63.038 63.100 0.072 0.000 0.765 921 P CB 0.780 32.509 31.700 0.049 0.000 0.835 922 L N 4.930 126.182 121.223 0.048 0.000 2.054 922 L HA -0.358 3.982 4.340 -0.000 0.000 0.220 922 L C 2.045 178.916 176.870 0.002 0.000 1.081 922 L CA 2.765 57.606 54.840 0.002 0.000 0.780 922 L CB -1.417 40.651 42.059 0.014 0.000 0.893 922 L HN 0.373 nan 8.230 nan 0.000 0.438 923 S N -1.345 114.369 115.700 0.023 0.000 2.374 923 S HA -0.219 4.251 4.470 -0.000 0.000 0.227 923 S C 1.465 176.093 174.600 0.046 0.000 1.037 923 S CA 1.343 59.570 58.200 0.046 0.000 1.024 923 S CB -0.952 62.271 63.200 0.038 0.000 0.861 923 S HN 0.549 nan 8.310 nan 0.000 0.456 924 D N 1.204 121.612 120.400 0.013 0.000 2.358 924 D HA 0.104 4.744 4.640 -0.000 0.000 0.241 924 D C 0.735 177.003 176.300 -0.053 0.000 1.094 924 D CA 0.517 54.505 54.000 -0.021 0.000 0.907 924 D CB -0.137 40.658 40.800 -0.008 0.000 0.893 924 D HN 0.496 nan 8.370 nan 0.000 0.528 925 M N -0.391 119.187 119.600 -0.036 0.000 2.502 925 M HA 0.135 4.615 4.480 -0.000 0.000 0.351 925 M C -0.499 175.789 176.300 -0.020 0.000 1.118 925 M CA -0.432 54.811 55.300 -0.095 0.000 0.952 925 M CB 0.391 32.907 32.600 -0.139 0.000 1.424 925 M HN -0.082 nan 8.290 nan 0.000 0.529 926 Y N 0.829 121.055 120.300 -0.123 0.000 2.346 926 Y HA 0.499 5.048 4.550 -0.000 0.000 0.332 926 Y C -0.853 174.948 175.900 -0.166 0.000 0.985 926 Y CA -0.839 57.203 58.100 -0.097 0.000 1.112 926 Y CB 1.279 39.743 38.460 0.006 0.000 1.170 926 Y HN 0.009 nan 8.280 nan 0.000 0.447 927 T N 8.650 122.697 114.554 -0.845 0.000 2.723 927 T HA 0.238 4.588 4.350 -0.000 0.000 0.297 927 T C -2.612 171.238 174.700 -1.418 0.000 0.925 927 T CA -1.537 59.923 62.100 -1.066 0.000 1.030 927 T CB 0.634 68.863 68.868 -1.065 0.000 0.905 927 T HN 0.464 nan 8.240 nan 0.000 0.502 928 P HA 0.051 nan 4.420 nan 0.000 0.235 928 P C -0.807 176.306 177.300 -0.313 0.000 1.670 928 P CA -0.269 62.377 63.100 -0.756 0.000 1.017 928 P CB -0.784 30.592 31.700 -0.541 0.000 1.945 929 Y N 0.147 120.317 120.300 -0.216 0.000 2.480 929 Y HA -0.022 4.528 4.550 -0.000 0.000 0.341 929 Y C 2.119 178.022 175.900 0.005 0.000 1.031 929 Y CA -0.402 57.658 58.100 -0.067 0.000 1.295 929 Y CB 0.170 38.539 38.460 -0.152 0.000 1.162 929 Y HN -0.083 nan 8.280 nan 0.000 0.523 930 V N 3.680 123.757 119.914 0.272 0.000 2.311 930 V HA -0.346 3.774 4.120 -0.000 0.000 0.259 930 V C 0.645 176.844 176.094 0.175 0.000 1.086 930 V CA 1.905 64.335 62.300 0.217 0.000 1.078 930 V CB -0.648 31.321 31.823 0.244 0.000 0.668 930 V HN 0.614 nan 8.190 nan 0.000 0.452 931 F N 2.678 122.603 119.950 -0.041 0.000 2.347 931 F HA 0.590 5.117 4.527 -0.000 0.000 0.366 931 F C -2.561 173.187 175.800 -0.087 0.000 1.107 931 F CA -3.637 54.287 58.000 -0.127 0.000 1.058 931 F CB 0.996 39.799 39.000 -0.329 0.000 1.236 931 F HN -0.056 nan 8.300 nan 0.000 0.456 932 P HA 0.255 nan 4.420 nan 0.000 0.266 932 P C -0.891 176.059 177.300 -0.583 0.000 1.195 932 P CA 0.281 63.091 63.100 -0.482 0.000 0.768 932 P CB 1.135 32.606 31.700 -0.381 0.000 0.838 933 S N -0.044 115.517 115.700 -0.232 0.000 2.660 933 S HA 0.325 4.795 4.470 -0.000 0.000 0.264 933 S C -0.834 173.747 174.600 -0.031 0.000 1.131 933 S CA -1.036 57.084 58.200 -0.134 0.000 0.846 933 S CB 0.136 63.290 63.200 -0.077 0.000 1.151 933 S HN 0.393 nan 8.310 nan 0.000 0.486 934 E N 1.197 121.394 120.200 -0.005 0.000 2.565 934 E HA 0.332 4.682 4.350 -0.000 0.000 0.268 934 E C 0.013 176.673 176.600 0.100 0.000 1.000 934 E CA 1.282 57.712 56.400 0.050 0.000 0.964 934 E CB -0.077 29.681 29.700 0.098 0.000 0.955 934 E HN 0.894 nan 8.360 nan 0.000 0.459 935 N N 0.476 119.265 118.700 0.148 0.000 3.387 935 N HA 0.357 5.097 4.740 -0.000 0.000 0.294 935 N C 0.444 176.011 175.510 0.093 0.000 1.519 935 N CA -0.470 52.691 53.050 0.186 0.000 0.875 935 N CB 0.142 38.718 38.487 0.148 0.000 1.657 935 N HN 0.736 nan 8.380 nan 0.000 0.527 936 G N -0.786 108.014 108.800 0.001 0.000 2.249 936 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.273 936 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.273 936 G C 0.200 174.882 174.900 -0.365 0.000 0.995 936 G CA 1.061 46.059 45.100 -0.170 0.000 0.671 936 G HN 0.734 nan 8.290 nan 0.000 0.539 937 L N -0.121 120.853 121.223 -0.414 0.000 2.510 937 L HA 0.311 4.651 4.340 -0.000 0.000 0.300 937 L C 0.796 177.142 176.870 -0.872 0.000 1.283 937 L CA 0.699 55.083 54.840 -0.761 0.000 0.834 937 L CB 0.318 41.691 42.059 -1.143 0.000 1.085 937 L HN 0.397 nan 8.230 nan 0.000 0.545 938 R N 2.632 122.568 120.500 -0.941 0.000 2.522 938 R HA 0.357 4.697 4.340 -0.000 0.000 0.273 938 R C -1.424 174.544 176.300 -0.553 0.000 1.133 938 R CA -0.736 54.898 56.100 -0.778 0.000 0.969 938 R CB 0.480 30.214 30.300 -0.943 0.000 1.235 938 R HN 0.578 nan 8.270 nan 0.000 0.433 939 C N -0.126 118.977 119.300 -0.328 0.000 2.328 939 C HA 0.701 5.161 4.460 -0.000 0.000 0.378 939 C C 1.426 176.385 174.990 -0.051 0.000 1.249 939 C CA 0.358 59.268 59.018 -0.180 0.000 2.204 939 C CB 0.971 28.637 27.740 -0.124 0.000 2.218 939 C HN 1.064 nan 8.230 nan 0.000 0.564 940 G N 2.172 110.958 108.800 -0.022 0.000 2.393 940 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.299 940 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.299 940 G C -0.123 174.843 174.900 0.109 0.000 0.990 940 G CA 0.465 45.606 45.100 0.069 0.000 1.118 940 G HN 0.923 nan 8.290 nan 0.000 0.513 941 T N -0.587 113.900 114.554 -0.113 0.000 2.744 941 T HA 0.546 4.896 4.350 -0.000 0.000 0.291 941 T C 1.402 175.863 174.700 -0.399 0.000 0.957 941 T CA -0.653 61.328 62.100 -0.198 0.000 1.002 941 T CB 2.099 70.901 68.868 -0.110 0.000 0.919 941 T HN 0.409 nan 8.240 nan 0.000 0.468 942 R N 1.280 121.760 120.500 -0.034 0.000 2.146 942 R HA 0.215 4.555 4.340 -0.000 0.000 0.206 942 R C 0.733 177.102 176.300 0.116 0.000 1.049 942 R CA 0.369 56.507 56.100 0.063 0.000 1.029 942 R CB 0.546 30.990 30.300 0.240 0.000 0.949 942 R HN 0.635 nan 8.270 nan 0.000 0.471 943 E N 0.965 121.246 120.200 0.135 0.000 2.275 943 E HA 0.275 4.625 4.350 -0.000 0.000 0.270 943 E C -1.910 174.853 176.600 0.272 0.000 0.882 943 E CA -0.662 55.874 56.400 0.228 0.000 0.758 943 E CB 1.818 31.623 29.700 0.174 0.000 1.195 943 E HN -0.142 nan 8.360 nan 0.000 0.419 944 L N 4.092 125.531 121.223 0.359 0.000 2.410 944 L HA 0.569 4.909 4.340 -0.000 0.000 0.270 944 L C -1.952 175.160 176.870 0.404 0.000 0.983 944 L CA -0.482 54.505 54.840 0.245 0.000 0.822 944 L CB 1.680 43.677 42.059 -0.102 0.000 1.285 944 L HN 0.416 nan 8.230 nan 0.000 0.409 945 N N 4.445 123.339 118.700 0.324 0.000 2.399 945 N HA 0.394 5.134 4.740 -0.000 0.000 0.284 945 N C -1.933 173.831 175.510 0.423 0.000 1.025 945 N CA -0.231 53.048 53.050 0.382 0.000 0.885 945 N CB 1.619 40.252 38.487 0.243 0.000 1.339 945 N HN 0.476 nan 8.380 nan 0.000 0.487 946 Y N 1.661 122.188 120.300 0.378 0.000 2.333 946 Y HA 0.530 5.080 4.550 -0.000 0.000 0.324 946 Y C 0.896 176.956 175.900 0.266 0.000 1.033 946 Y CA -0.134 58.123 58.100 0.261 0.000 1.224 946 Y CB 0.496 39.086 38.460 0.217 0.000 1.120 946 Y HN 0.804 nan 8.280 nan 0.000 0.457 947 G N 6.458 115.289 108.800 0.053 0.000 2.595 947 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.297 947 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.297 947 G C -1.767 173.170 174.900 0.061 0.000 1.181 947 G CA 0.269 45.336 45.100 -0.055 0.000 0.963 947 G HN 0.528 nan 8.290 nan 0.000 0.541 948 P HA 0.302 nan 4.420 nan 0.000 0.275 948 P C 0.115 177.282 177.300 -0.222 0.000 1.310 948 P CA 0.389 63.456 63.100 -0.055 0.000 0.904 948 P CB 0.283 31.902 31.700 -0.135 0.000 1.381 949 H N 0.404 119.442 119.070 -0.053 0.000 2.495 949 H HA 0.621 5.177 4.556 -0.000 0.000 0.350 949 H C 0.194 175.401 175.328 -0.202 0.000 1.202 949 H CA 0.038 55.948 56.048 -0.231 0.000 1.322 949 H CB 0.835 30.271 29.762 -0.543 0.000 1.544 949 H HN -0.086 nan 8.280 nan 0.000 0.565 950 Q N 1.584 121.165 119.800 -0.365 0.000 2.364 950 Q HA 0.213 4.553 4.340 -0.000 0.000 0.251 950 Q C -2.074 173.819 176.000 -0.178 0.000 0.927 950 Q CA -0.594 55.168 55.803 -0.069 0.000 0.924 950 Q CB 1.332 30.096 28.738 0.044 0.000 1.419 950 Q HN 0.669 nan 8.270 nan 0.000 0.427 951 W N 4.199 125.477 121.300 -0.036 0.000 2.702 951 W HA 0.649 5.309 4.660 -0.000 0.000 0.331 951 W C -0.184 176.425 176.519 0.149 0.000 1.049 951 W CA -1.025 56.272 57.345 -0.080 0.000 1.230 951 W CB 2.045 31.277 29.460 -0.380 0.000 1.408 951 W HN 0.463 nan 8.180 nan 0.000 0.492 952 R N 0.898 121.642 120.500 0.408 0.000 2.750 952 R HA 0.779 5.119 4.340 -0.000 0.000 0.281 952 R C 0.113 176.685 176.300 0.453 0.000 0.972 952 R CA -0.542 55.813 56.100 0.425 0.000 0.912 952 R CB 2.363 32.829 30.300 0.277 0.000 1.187 952 R HN 0.790 nan 8.270 nan 0.000 0.464 953 G N 0.875 109.974 108.800 0.498 0.000 2.491 953 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.183 953 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.183 953 G C -1.842 173.250 174.900 0.320 0.000 1.221 953 G CA -0.442 44.922 45.100 0.440 0.000 0.996 953 G HN 0.489 nan 8.290 nan 0.000 0.474 954 D N 0.284 120.883 120.400 0.332 0.000 2.336 954 D HA 0.596 5.236 4.640 -0.000 0.000 0.248 954 D C -0.924 175.425 176.300 0.082 0.000 1.326 954 D CA -0.314 53.736 54.000 0.083 0.000 0.973 954 D CB 0.651 41.518 40.800 0.111 0.000 1.255 954 D HN 0.561 nan 8.370 nan 0.000 0.558 955 F N 0.140 120.114 119.950 0.039 0.000 2.789 955 F HA 0.602 5.129 4.527 -0.000 0.000 0.319 955 F C -1.207 174.581 175.800 -0.021 0.000 1.168 955 F CA -1.034 56.934 58.000 -0.053 0.000 0.934 955 F CB 0.763 39.732 39.000 -0.051 0.000 1.375 955 F HN -0.123 nan 8.300 nan 0.000 0.480 956 Q N 1.584 121.425 119.800 0.067 0.000 2.348 956 Q HA 0.685 5.025 4.340 -0.000 0.000 0.271 956 Q C -1.317 174.767 176.000 0.141 0.000 1.067 956 Q CA -0.521 55.262 55.803 -0.033 0.000 0.839 956 Q CB 2.885 31.536 28.738 -0.146 0.000 1.354 956 Q HN 0.910 nan 8.270 nan 0.000 0.447 957 F N -1.091 118.751 119.950 -0.179 0.000 2.923 957 F HA 0.783 5.310 4.527 -0.000 0.000 0.323 957 F C -1.809 173.802 175.800 -0.314 0.000 1.189 957 F CA -1.013 56.862 58.000 -0.209 0.000 0.930 957 F CB 1.560 40.452 39.000 -0.180 0.000 1.414 957 F HN 0.670 nan 8.300 nan 0.000 0.496 958 N N 0.691 119.353 118.700 -0.063 0.000 2.859 958 N HA 0.627 5.367 4.740 -0.000 0.000 0.250 958 N C -2.231 173.313 175.510 0.057 0.000 1.341 958 N CA -0.710 52.253 53.050 -0.145 0.000 0.881 958 N CB 2.260 40.640 38.487 -0.178 0.000 1.516 958 N HN 1.159 nan 8.380 nan 0.000 0.503 959 I N 0.726 121.282 120.570 -0.023 0.000 2.702 959 I HA 0.574 4.744 4.170 -0.000 0.000 0.287 959 I C -1.536 174.513 176.117 -0.113 0.000 1.342 959 I CA 0.094 61.334 61.300 -0.099 0.000 1.063 959 I CB 1.114 38.967 38.000 -0.246 0.000 1.331 959 I HN 1.055 nan 8.210 nan 0.000 0.427 960 S N 7.001 122.663 115.700 -0.064 0.000 2.790 960 S HA 0.578 5.048 4.470 -0.000 0.000 0.292 960 S C -0.127 174.390 174.600 -0.139 0.000 1.197 960 S CA -0.903 57.233 58.200 -0.106 0.000 0.851 960 S CB 1.950 65.125 63.200 -0.041 0.000 1.217 960 S HN 0.652 nan 8.310 nan 0.000 0.526 961 R N 0.258 120.500 120.500 -0.429 0.000 2.449 961 R HA 0.269 4.609 4.340 -0.000 0.000 0.262 961 R C -1.010 174.901 176.300 -0.649 0.000 1.006 961 R CA 0.204 56.005 56.100 -0.497 0.000 1.104 961 R CB -1.019 28.910 30.300 -0.618 0.000 1.206 961 R HN 0.617 nan 8.270 nan 0.000 0.538 962 Y N -0.450 119.834 120.300 -0.027 0.000 2.462 962 Y HA 0.284 4.834 4.550 -0.000 0.000 0.346 962 Y C 0.560 176.178 175.900 -0.471 0.000 0.976 962 Y CA -1.314 56.664 58.100 -0.203 0.000 1.044 962 Y CB 1.369 39.652 38.460 -0.294 0.000 1.230 962 Y HN -0.107 nan 8.280 nan 0.000 0.455 963 S N 1.174 116.541 115.700 -0.555 0.000 2.610 963 S HA 0.141 4.611 4.470 -0.000 0.000 0.273 963 S C 0.737 175.007 174.600 -0.552 0.000 1.274 963 S CA -0.879 56.659 58.200 -1.104 0.000 1.023 963 S CB 1.381 63.893 63.200 -1.147 0.000 0.962 963 S HN 0.719 nan 8.310 nan 0.000 0.523 964 Q N 0.666 120.137 119.800 -0.549 0.000 2.197 964 Q HA -0.206 4.134 4.340 -0.000 0.000 0.207 964 Q C 2.004 177.856 176.000 -0.247 0.000 0.984 964 Q CA 1.612 57.231 55.803 -0.306 0.000 0.869 964 Q CB -0.351 28.242 28.738 -0.242 0.000 0.906 964 Q HN 0.873 nan 8.270 nan 0.000 0.426 965 Q N 0.439 120.070 119.800 -0.283 0.000 1.994 965 Q HA -0.165 4.175 4.340 -0.000 0.000 0.198 965 Q C 2.142 178.034 176.000 -0.180 0.000 0.976 965 Q CA 0.955 56.643 55.803 -0.191 0.000 0.828 965 Q CB 0.070 28.722 28.738 -0.144 0.000 0.894 965 Q HN 0.390 nan 8.270 nan 0.000 0.432 966 Q N 0.316 119.997 119.800 -0.198 0.000 2.012 966 Q HA -0.248 4.092 4.340 -0.000 0.000 0.211 966 Q C 2.305 178.179 176.000 -0.211 0.000 1.009 966 Q CA 1.983 57.676 55.803 -0.183 0.000 0.866 966 Q CB -0.348 28.267 28.738 -0.205 0.000 0.945 966 Q HN 0.432 nan 8.270 nan 0.000 0.414 967 L N -0.054 121.029 121.223 -0.233 0.000 2.010 967 L HA -0.285 4.055 4.340 -0.000 0.000 0.219 967 L C 2.660 179.384 176.870 -0.243 0.000 1.077 967 L CA 1.739 56.432 54.840 -0.244 0.000 0.773 967 L CB -0.450 41.493 42.059 -0.193 0.000 0.892 967 L HN 0.488 nan 8.230 nan 0.000 0.436 968 M N -0.783 118.698 119.600 -0.199 0.000 2.700 968 M HA -0.132 4.348 4.480 -0.000 0.000 0.249 968 M C 1.083 177.286 176.300 -0.160 0.000 1.082 968 M CA 1.363 56.554 55.300 -0.182 0.000 1.077 968 M CB 0.018 32.514 32.600 -0.174 0.000 1.477 968 M HN 0.278 nan 8.290 nan 0.000 0.529 969 E N -0.958 119.150 120.200 -0.153 0.000 2.541 969 E HA 0.113 4.463 4.350 -0.000 0.000 0.219 969 E C -0.182 176.363 176.600 -0.092 0.000 0.922 969 E CA 0.072 56.411 56.400 -0.101 0.000 1.095 969 E CB 0.726 30.381 29.700 -0.076 0.000 1.112 969 E HN 0.362 nan 8.360 nan 0.000 0.516 970 T N 0.841 115.307 114.554 -0.147 0.000 2.806 970 T HA 0.159 4.509 4.350 -0.000 0.000 0.290 970 T C 1.084 175.690 174.700 -0.156 0.000 0.966 970 T CA -0.361 61.660 62.100 -0.132 0.000 1.060 970 T CB 1.698 70.456 68.868 -0.183 0.000 0.927 970 T HN 0.007 nan 8.240 nan 0.000 0.485 971 S N 0.934 116.645 115.700 0.018 0.000 2.497 971 S HA 0.106 4.576 4.470 -0.000 0.000 0.218 971 S C 0.111 174.798 174.600 0.145 0.000 1.023 971 S CA -0.107 58.165 58.200 0.121 0.000 0.913 971 S CB -0.247 63.187 63.200 0.389 0.000 0.800 971 S HN 0.752 nan 8.310 nan 0.000 0.505 972 H N 1.146 120.260 119.070 0.074 0.000 2.589 972 H HA 0.512 5.068 4.556 -0.000 0.000 0.351 972 H C 0.888 176.273 175.328 0.094 0.000 1.074 972 H CA -0.677 55.471 56.048 0.165 0.000 1.203 972 H CB 1.445 31.340 29.762 0.222 0.000 1.558 972 H HN 0.168 nan 8.280 nan 0.000 0.522 973 R N 2.073 122.696 120.500 0.206 0.000 2.261 973 R HA -0.187 4.153 4.340 -0.000 0.000 0.236 973 R C 0.525 176.903 176.300 0.130 0.000 1.141 973 R CA 1.781 57.946 56.100 0.109 0.000 1.001 973 R CB -0.179 30.191 30.300 0.116 0.000 0.866 973 R HN 0.774 nan 8.270 nan 0.000 0.468 974 H N -0.213 118.853 119.070 -0.007 0.000 2.551 974 H HA 0.138 4.694 4.556 -0.000 0.000 0.271 974 H C 1.140 176.388 175.328 -0.133 0.000 0.984 974 H CA -0.052 55.954 56.048 -0.070 0.000 1.164 974 H CB 0.044 29.765 29.762 -0.069 0.000 1.437 974 H HN 0.298 nan 8.280 nan 0.000 0.550 975 L N 0.568 121.622 121.223 -0.281 0.000 2.664 975 L HA 0.281 4.621 4.340 -0.000 0.000 0.233 975 L C 0.672 177.438 176.870 -0.174 0.000 1.113 975 L CA -0.073 54.576 54.840 -0.318 0.000 0.896 975 L CB 0.407 42.288 42.059 -0.298 0.000 1.163 975 L HN 0.083 nan 8.230 nan 0.000 0.497 976 L N 1.456 122.543 121.223 -0.226 0.000 2.439 976 L HA 0.178 4.518 4.340 -0.000 0.000 0.269 976 L C 0.036 176.809 176.870 -0.162 0.000 1.179 976 L CA 0.064 54.684 54.840 -0.366 0.000 0.828 976 L CB 0.541 42.156 42.059 -0.740 0.000 1.106 976 L HN 0.253 nan 8.230 nan 0.000 0.467 977 H N 1.014 120.137 119.070 0.089 0.000 2.895 977 H HA 0.572 5.128 4.556 -0.000 0.000 0.373 977 H C -0.776 174.685 175.328 0.221 0.000 1.174 977 H CA -1.193 54.936 56.048 0.135 0.000 1.144 977 H CB 1.426 31.205 29.762 0.029 0.000 1.793 977 H HN 0.644 nan 8.280 nan 0.000 0.551 978 A N 2.351 125.295 122.820 0.207 0.000 2.511 978 A HA 0.110 4.430 4.320 -0.000 0.000 0.242 978 A C 0.406 178.054 177.584 0.107 0.000 1.069 978 A CA -0.167 51.843 52.037 -0.045 0.000 0.763 978 A CB -0.025 18.898 19.000 -0.128 0.000 1.001 978 A HN 0.797 nan 8.150 nan 0.000 0.498 979 E N 0.582 120.785 120.200 0.005 0.000 2.322 979 E HA 0.115 4.465 4.350 -0.000 0.000 0.257 979 E C 0.711 177.328 176.600 0.028 0.000 1.155 979 E CA -0.603 55.873 56.400 0.127 0.000 0.936 979 E CB 0.700 30.559 29.700 0.266 0.000 1.130 979 E HN 0.830 nan 8.360 nan 0.000 0.465 980 E N 0.463 120.671 120.200 0.014 0.000 2.012 980 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 980 E C 1.145 177.687 176.600 -0.097 0.000 1.007 980 E CA 1.458 57.830 56.400 -0.047 0.000 0.816 980 E CB -0.126 29.541 29.700 -0.055 0.000 0.762 980 E HN 0.570 nan 8.360 nan 0.000 0.451 981 G N -0.871 107.826 108.800 -0.172 0.000 3.286 981 G HA2 0.155 4.115 3.960 -0.000 0.000 0.173 981 G HA3 0.155 4.115 3.960 -0.000 0.000 0.173 981 G C -0.346 174.467 174.900 -0.145 0.000 1.704 981 G CA -0.037 44.957 45.100 -0.176 0.000 1.041 981 G HN 0.164 nan 8.290 nan 0.000 0.561 982 T N 0.039 114.497 114.554 -0.160 0.000 2.881 982 T HA 0.379 4.729 4.350 -0.000 0.000 0.290 982 T C -1.671 172.927 174.700 -0.169 0.000 1.000 982 T CA -0.147 61.917 62.100 -0.060 0.000 0.978 982 T CB 1.590 70.575 68.868 0.195 0.000 0.997 982 T HN 0.333 nan 8.240 nan 0.000 0.443 983 W N 3.050 124.286 121.300 -0.107 0.000 2.390 983 W HA 0.711 5.371 4.660 -0.000 0.000 0.312 983 W C -0.512 175.920 176.519 -0.145 0.000 1.123 983 W CA -0.675 56.604 57.345 -0.111 0.000 1.202 983 W CB 1.058 30.452 29.460 -0.110 0.000 1.251 983 W HN 0.365 nan 8.180 nan 0.000 0.511 984 L N 5.079 126.394 121.223 0.154 0.000 2.438 984 L HA 0.444 4.784 4.340 -0.000 0.000 0.270 984 L C -1.058 175.790 176.870 -0.037 0.000 0.972 984 L CA -0.346 54.464 54.840 -0.051 0.000 0.831 984 L CB 1.127 43.038 42.059 -0.247 0.000 1.273 984 L HN 0.358 nan 8.230 nan 0.000 0.405 985 N N 7.008 125.662 118.700 -0.076 0.000 2.479 985 N HA 0.452 5.192 4.740 -0.000 0.000 0.261 985 N C -1.118 174.311 175.510 -0.134 0.000 0.979 985 N CA -0.305 52.682 53.050 -0.104 0.000 0.930 985 N CB 2.108 40.536 38.487 -0.099 0.000 1.172 985 N HN 0.462 nan 8.380 nan 0.000 0.499 986 I N 1.641 122.092 120.570 -0.199 0.000 2.330 986 I HA 0.167 4.337 4.170 -0.000 0.000 0.286 986 I C -0.297 175.703 176.117 -0.196 0.000 1.025 986 I CA -0.481 60.680 61.300 -0.232 0.000 1.197 986 I CB 1.012 38.715 38.000 -0.494 0.000 1.358 986 I HN 0.203 nan 8.210 nan 0.000 0.467 987 D N 4.347 124.665 120.400 -0.137 0.000 2.168 987 D HA 0.302 4.942 4.640 -0.000 0.000 0.246 987 D C 0.798 176.893 176.300 -0.341 0.000 1.050 987 D CA -0.067 53.778 54.000 -0.258 0.000 0.857 987 D CB 2.486 43.181 40.800 -0.175 0.000 1.169 987 D HN 0.675 nan 8.370 nan 0.000 0.453 988 G N 1.401 109.758 108.800 -0.738 0.000 2.719 988 G HA2 0.111 4.071 3.960 -0.000 0.000 0.211 988 G HA3 0.111 4.071 3.960 -0.000 0.000 0.211 988 G C 0.013 174.093 174.900 -1.367 0.000 1.140 988 G CA 0.083 44.560 45.100 -1.038 0.000 0.790 988 G HN 0.384 nan 8.290 nan 0.000 0.529 989 F N -0.348 119.403 119.950 -0.331 0.000 2.651 989 F HA 0.410 4.937 4.527 -0.000 0.000 0.329 989 F C -0.901 174.762 175.800 -0.230 0.000 1.186 989 F CA -1.237 56.619 58.000 -0.241 0.000 1.046 989 F CB 1.563 40.331 39.000 -0.385 0.000 1.296 989 F HN -0.104 nan 8.300 nan 0.000 0.497 990 H N 4.011 123.072 119.070 -0.016 0.000 2.524 990 H HA 0.616 5.172 4.556 -0.000 0.000 0.353 990 H C -0.636 174.712 175.328 0.034 0.000 1.136 990 H CA -0.824 55.205 56.048 -0.032 0.000 1.193 990 H CB 2.205 31.931 29.762 -0.061 0.000 1.558 990 H HN 0.853 nan 8.280 nan 0.000 0.515 991 M N 2.514 122.350 119.600 0.394 0.000 2.227 991 M HA 0.463 4.943 4.480 -0.000 0.000 0.316 991 M C 0.294 176.728 176.300 0.223 0.000 1.144 991 M CA -0.029 55.412 55.300 0.235 0.000 1.121 991 M CB 0.791 33.434 32.600 0.071 0.000 1.440 991 M HN 0.524 nan 8.290 nan 0.000 0.473 992 G N 1.062 109.949 108.800 0.144 0.000 2.683 992 G HA2 0.365 4.325 3.960 -0.000 0.000 0.260 992 G HA3 0.365 4.325 3.960 -0.000 0.000 0.260 992 G C 0.500 175.350 174.900 -0.084 0.000 1.238 992 G CA -0.327 44.771 45.100 -0.002 0.000 0.934 992 G HN 1.034 nan 8.290 nan 0.000 0.534 993 I N -2.716 117.742 120.570 -0.186 0.000 3.339 993 I HA 0.439 4.609 4.170 -0.000 0.000 0.285 993 I C 1.310 177.332 176.117 -0.158 0.000 1.201 993 I CA 0.614 61.783 61.300 -0.218 0.000 1.434 993 I CB -0.393 37.380 38.000 -0.378 0.000 1.152 993 I HN 0.955 nan 8.210 nan 0.000 0.443 994 G N 1.715 110.424 108.800 -0.152 0.000 2.539 994 G HA2 0.008 3.968 3.960 -0.000 0.000 0.256 994 G HA3 0.008 3.968 3.960 -0.000 0.000 0.256 994 G C 0.701 175.553 174.900 -0.080 0.000 1.233 994 G CA 0.302 45.348 45.100 -0.089 0.000 0.936 994 G HN 1.579 nan 8.290 nan 0.000 0.571 995 G N -1.985 106.782 108.800 -0.055 0.000 2.173 995 G HA2 0.021 3.981 3.960 -0.000 0.000 0.142 995 G HA3 0.021 3.981 3.960 -0.000 0.000 0.142 995 G C 0.573 175.475 174.900 0.002 0.000 1.019 995 G CA 0.906 45.974 45.100 -0.053 0.000 0.699 995 G HN 1.036 nan 8.290 nan 0.000 0.495 996 D N 1.485 121.900 120.400 0.025 0.000 2.228 996 D HA 0.028 4.668 4.640 -0.000 0.000 0.203 996 D C 1.111 177.394 176.300 -0.028 0.000 0.988 996 D CA 2.072 56.143 54.000 0.118 0.000 0.864 996 D CB 0.205 41.079 40.800 0.124 0.000 0.928 996 D HN 0.806 nan 8.370 nan 0.000 0.469 997 D N -2.993 117.209 120.400 -0.331 0.000 2.713 997 D HA 0.160 4.800 4.640 -0.000 0.000 0.306 997 D C -0.857 174.976 176.300 -0.778 0.000 1.299 997 D CA -0.506 52.917 54.000 -0.961 0.000 0.823 997 D CB 0.838 40.592 40.800 -1.744 0.000 1.353 997 D HN -0.267 nan 8.370 nan 0.000 0.447 998 S N -0.586 114.503 115.700 -1.017 0.000 2.661 998 S HA 0.237 4.707 4.470 -0.000 0.000 0.245 998 S C -0.388 174.374 174.600 0.270 0.000 1.117 998 S CA -0.719 57.455 58.200 -0.043 0.000 1.091 998 S CB -0.517 62.973 63.200 0.484 0.000 0.887 998 S HN 0.581 nan 8.310 nan 0.000 0.491 999 W N 0.608 121.943 121.300 0.058 0.000 1.479 999 W HA 0.515 5.175 4.660 -0.000 0.000 0.224 999 W C -0.175 176.344 176.519 -0.001 0.000 0.799 999 W CA -0.537 56.825 57.345 0.028 0.000 1.149 999 W CB -0.565 28.858 29.460 -0.062 0.000 0.935 999 W HN 0.184 nan 8.180 nan 0.000 0.454 1000 S N -0.733 114.798 115.700 -0.281 0.000 2.535 1000 S HA 0.565 5.035 4.470 -0.000 0.000 0.272 1000 S C -3.041 171.460 174.600 -0.165 0.000 1.149 1000 S CA -1.581 56.517 58.200 -0.169 0.000 0.888 1000 S CB 1.644 64.766 63.200 -0.129 0.000 1.110 1000 S HN -0.161 nan 8.310 nan 0.000 0.463 1001 P HA 0.112 nan 4.420 nan 0.000 0.255 1001 P C 0.199 177.465 177.300 -0.057 0.000 1.173 1001 P CA 0.287 63.307 63.100 -0.133 0.000 0.780 1001 P CB 0.141 31.647 31.700 -0.324 0.000 0.758 1002 S N 1.884 117.587 115.700 0.004 0.000 2.668 1002 S HA 0.328 4.798 4.470 -0.000 0.000 0.244 1002 S C -0.224 174.414 174.600 0.062 0.000 1.140 1002 S CA -0.545 57.654 58.200 -0.001 0.000 1.134 1002 S CB -0.328 62.830 63.200 -0.070 0.000 0.954 1002 S HN 0.089 nan 8.310 nan 0.000 0.490 1003 V N 3.022 123.029 119.914 0.155 0.000 2.409 1003 V HA 0.517 4.637 4.120 -0.000 0.000 0.291 1003 V C 0.381 176.602 176.094 0.211 0.000 1.020 1003 V CA -0.671 61.728 62.300 0.164 0.000 0.848 1003 V CB 1.588 33.502 31.823 0.152 0.000 0.990 1003 V HN 0.739 nan 8.190 nan 0.000 0.430 1004 S N 3.904 119.739 115.700 0.225 0.000 2.572 1004 S HA 0.375 4.845 4.470 -0.000 0.000 0.279 1004 S C 1.518 176.299 174.600 0.302 0.000 1.341 1004 S CA 0.057 58.416 58.200 0.266 0.000 1.043 1004 S CB 1.407 64.759 63.200 0.253 0.000 0.887 1004 S HN 1.101 nan 8.310 nan 0.000 0.516 1005 A N 2.123 125.058 122.820 0.191 0.000 1.903 1005 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 1005 A C 1.896 179.529 177.584 0.082 0.000 1.191 1005 A CA 2.046 54.173 52.037 0.150 0.000 0.638 1005 A CB -1.185 17.875 19.000 0.099 0.000 0.823 1005 A HN 0.940 nan 8.150 nan 0.000 0.451 1006 E N -0.956 119.213 120.200 -0.051 0.000 2.401 1006 E HA -0.102 4.247 4.350 -0.000 0.000 0.199 1006 E C 0.698 176.998 176.600 -0.500 0.000 1.023 1006 E CA 0.944 57.159 56.400 -0.308 0.000 0.859 1006 E CB -0.365 29.006 29.700 -0.549 0.000 0.780 1006 E HN 0.730 nan 8.360 nan 0.000 0.523 1007 F N 0.735 120.744 119.950 0.098 0.000 2.664 1007 F HA 0.238 4.765 4.527 -0.000 0.000 0.303 1007 F C 0.113 175.971 175.800 0.097 0.000 1.092 1007 F CA -0.245 57.811 58.000 0.094 0.000 1.305 1007 F CB 0.222 39.267 39.000 0.074 0.000 1.054 1007 F HN -0.158 nan 8.300 nan 0.000 0.565 1008 Q N 1.359 121.308 119.800 0.249 0.000 2.348 1008 Q HA 0.410 4.750 4.340 -0.000 0.000 0.265 1008 Q C -0.364 175.766 176.000 0.217 0.000 0.998 1008 Q CA -0.581 55.368 55.803 0.243 0.000 0.831 1008 Q CB 1.884 30.837 28.738 0.358 0.000 1.251 1008 Q HN 0.223 nan 8.270 nan 0.000 0.456 1009 L N 2.220 123.508 121.223 0.109 0.000 2.827 1009 L HA -0.071 4.269 4.340 -0.000 0.000 0.293 1009 L C 0.715 177.563 176.870 -0.037 0.000 1.156 1009 L CA 0.182 55.024 54.840 0.002 0.000 1.145 1009 L CB -0.874 41.021 42.059 -0.275 0.000 1.474 1009 L HN 0.699 nan 8.230 nan 0.000 0.442 1010 S N -0.309 115.379 115.700 -0.020 0.000 2.650 1010 S HA 0.293 4.763 4.470 -0.000 0.000 0.240 1010 S C 1.479 175.992 174.600 -0.145 0.000 1.007 1010 S CA 0.041 58.013 58.200 -0.381 0.000 0.984 1010 S CB 0.930 64.076 63.200 -0.089 0.000 0.910 1010 S HN 0.581 nan 8.310 nan 0.000 0.509 1011 A N 1.744 124.536 122.820 -0.046 0.000 1.929 1011 A HA 0.489 4.809 4.320 -0.000 0.000 0.216 1011 A C 2.095 179.499 177.584 -0.299 0.000 1.176 1011 A CA 1.387 53.247 52.037 -0.294 0.000 0.628 1011 A CB -1.198 17.392 19.000 -0.684 0.000 0.816 1011 A HN 1.577 nan 8.150 nan 0.000 0.444 1012 G N -1.753 106.913 108.800 -0.222 0.000 2.317 1012 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.227 1012 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.227 1012 G C 0.399 175.201 174.900 -0.164 0.000 1.042 1012 G CA 0.209 45.239 45.100 -0.118 0.000 0.623 1012 G HN 0.613 nan 8.290 nan 0.000 0.509 1013 R N -0.099 120.138 120.500 -0.438 0.000 2.476 1013 R HA 0.622 4.962 4.340 -0.000 0.000 0.305 1013 R C -1.513 174.441 176.300 -0.578 0.000 0.965 1013 R CA -0.509 55.398 56.100 -0.323 0.000 0.867 1013 R CB 1.385 31.565 30.300 -0.199 0.000 1.176 1013 R HN 0.262 nan 8.270 nan 0.000 0.447 1014 Y N 0.380 120.639 120.300 -0.068 0.000 2.462 1014 Y HA 0.341 4.891 4.550 -0.000 0.000 0.346 1014 Y C -0.189 175.845 175.900 0.222 0.000 0.976 1014 Y CA -0.867 57.172 58.100 -0.103 0.000 1.044 1014 Y CB 2.250 40.447 38.460 -0.437 0.000 1.230 1014 Y HN 0.578 nan 8.280 nan 0.000 0.455 1015 H N 3.014 122.350 119.070 0.444 0.000 2.924 1015 H HA 0.504 5.060 4.556 -0.000 0.000 0.333 1015 H C -1.748 173.963 175.328 0.638 0.000 0.979 1015 H CA -0.790 55.527 56.048 0.449 0.000 1.326 1015 H CB 0.856 30.762 29.762 0.239 0.000 1.600 1015 H HN 0.570 nan 8.280 nan 0.000 0.520 1016 Y N 1.680 122.079 120.300 0.165 0.000 2.634 1016 Y HA 0.636 5.186 4.550 -0.000 0.000 0.340 1016 Y C -1.344 174.537 175.900 -0.032 0.000 1.058 1016 Y CA -1.532 56.669 58.100 0.167 0.000 1.081 1016 Y CB 1.434 39.958 38.460 0.107 0.000 1.295 1016 Y HN 0.596 nan 8.280 nan 0.000 0.487 1017 Q N 1.589 121.444 119.800 0.091 0.000 2.285 1017 Q HA 0.655 4.995 4.340 -0.000 0.000 0.269 1017 Q C -1.650 174.412 176.000 0.102 0.000 1.030 1017 Q CA -0.478 55.333 55.803 0.012 0.000 0.788 1017 Q CB 3.067 31.891 28.738 0.144 0.000 1.266 1017 Q HN 0.829 nan 8.270 nan 0.000 0.438 1018 L N 1.417 122.666 121.223 0.043 0.000 2.235 1018 L HA 0.813 5.152 4.340 -0.000 0.000 0.260 1018 L C -1.219 175.736 176.870 0.141 0.000 1.025 1018 L CA -1.142 53.765 54.840 0.111 0.000 0.836 1018 L CB 2.302 44.390 42.059 0.048 0.000 1.395 1018 L HN 0.362 nan 8.230 nan 0.000 0.443 1019 V N 0.333 120.361 119.914 0.190 0.000 2.610 1019 V HA 0.268 4.388 4.120 -0.000 0.000 0.298 1019 V C -1.509 174.731 176.094 0.243 0.000 1.067 1019 V CA -0.540 61.885 62.300 0.208 0.000 0.894 1019 V CB 1.833 33.763 31.823 0.179 0.000 1.015 1019 V HN 0.559 nan 8.190 nan 0.000 0.432 1020 W N 6.424 127.757 121.300 0.056 0.000 2.469 1020 W HA 0.781 5.441 4.660 -0.000 0.000 0.320 1020 W C -0.248 176.245 176.519 -0.044 0.000 1.086 1020 W CA -1.107 56.194 57.345 -0.072 0.000 1.211 1020 W CB 1.607 31.054 29.460 -0.022 0.000 1.298 1020 W HN 0.859 nan 8.180 nan 0.000 0.525 1021 C N 3.714 123.288 119.300 0.455 0.000 3.285 1021 C HA 0.739 5.199 4.460 -0.000 0.000 0.325 1021 C C -0.436 174.575 174.990 0.035 0.000 1.304 1021 C CA -0.830 58.299 59.018 0.185 0.000 1.319 1021 C CB 1.490 29.296 27.740 0.109 0.000 1.640 1021 C HN 0.641 nan 8.230 nan 0.000 0.477 1022 Q N 0.701 120.452 119.800 -0.082 0.000 2.934 1022 Q HA 0.898 5.238 4.340 -0.000 0.000 0.219 1022 Q C -0.606 175.325 176.000 -0.116 0.000 1.024 1022 Q CA -0.474 55.197 55.803 -0.220 0.000 0.928 1022 Q CB 0.966 29.518 28.738 -0.309 0.000 1.594 1022 Q HN 0.786 nan 8.270 nan 0.000 0.485 1023 K N 0.000 120.329 120.400 -0.118 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.250 56.287 -0.062 0.000 0.838 1023 K CB 0.000 32.474 32.500 -0.043 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543