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 1jz4_1_C DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.054 176.300 -0.409 0.000 0.893 13 R CA 0.000 55.944 56.100 -0.260 0.000 0.921 13 R CB 0.000 30.149 30.300 -0.251 0.000 0.687 14 R N 1.962 122.070 120.500 -0.653 0.000 3.225 14 R HA -0.169 4.186 4.340 0.025 0.000 0.245 14 R C -0.189 175.488 176.300 -1.038 0.000 0.928 14 R CA 0.866 56.157 56.100 -1.348 0.000 0.632 14 R CB -1.199 28.575 30.300 -0.878 0.000 1.038 14 R HN 0.278 nan 8.270 nan 0.000 0.461 15 D N -0.083 119.888 120.400 -0.715 0.000 2.221 15 D HA -0.186 4.469 4.640 0.025 0.000 0.204 15 D C 1.631 177.826 176.300 -0.175 0.000 0.982 15 D CA 1.777 55.503 54.000 -0.458 0.000 0.857 15 D CB -0.143 40.199 40.800 -0.763 0.000 0.934 15 D HN 0.730 nan 8.370 nan 0.000 0.475 16 W N 1.300 122.624 121.300 0.040 0.000 3.204 16 W HA 0.186 4.861 4.660 0.024 0.000 0.249 16 W C 0.432 177.045 176.519 0.156 0.000 1.322 16 W CA -0.241 57.225 57.345 0.201 0.000 1.593 16 W CB -0.320 29.301 29.460 0.268 0.000 1.122 16 W HN -0.183 nan 8.180 nan 0.000 0.710 17 E N 1.262 121.346 120.200 -0.194 0.000 3.385 17 E HA 0.065 4.430 4.350 0.025 0.000 0.206 17 E C -0.707 175.763 176.600 -0.218 0.000 0.997 17 E CA -0.217 56.101 56.400 -0.136 0.000 1.278 17 E CB -0.202 29.419 29.700 -0.131 0.000 1.165 17 E HN 0.033 nan 8.360 nan 0.000 0.452 18 N N 0.963 119.563 118.700 -0.167 0.000 2.812 18 N HA 0.106 4.861 4.740 0.025 0.000 0.262 18 N C -2.510 172.859 175.510 -0.235 0.000 1.241 18 N CA -1.672 51.238 53.050 -0.235 0.000 0.854 18 N CB 1.378 39.733 38.487 -0.220 0.000 1.506 18 N HN -0.173 nan 8.380 nan 0.000 0.576 19 P HA 0.085 nan 4.420 nan 0.000 0.239 19 P C 1.078 178.133 177.300 -0.408 0.000 1.184 19 P CA 0.582 63.346 63.100 -0.560 0.000 0.760 19 P CB 0.062 30.906 31.700 -1.426 0.000 0.884 20 G N -0.683 107.927 108.800 -0.316 0.000 2.623 20 G HA2 0.066 4.041 3.960 0.025 0.000 0.214 20 G HA3 0.066 4.041 3.960 0.025 0.000 0.214 20 G C 0.214 175.032 174.900 -0.138 0.000 1.138 20 G CA 0.208 45.174 45.100 -0.224 0.000 0.794 20 G HN 0.217 nan 8.290 nan 0.000 0.535 21 V N 1.579 121.428 119.914 -0.109 0.000 2.357 21 V HA 0.276 4.411 4.120 0.025 0.000 0.281 21 V C 0.802 176.947 176.094 0.084 0.000 1.015 21 V CA 0.069 62.356 62.300 -0.021 0.000 0.827 21 V CB 1.265 33.059 31.823 -0.049 0.000 1.018 21 V HN 0.320 nan 8.190 nan 0.000 0.432 22 T N 0.729 115.325 114.554 0.070 0.000 3.022 22 T HA 0.336 4.701 4.350 0.025 0.000 0.250 22 T C 0.299 175.046 174.700 0.079 0.000 1.060 22 T CA 0.187 62.336 62.100 0.081 0.000 1.013 22 T CB 0.286 69.157 68.868 0.005 0.000 0.982 22 T HN 0.694 nan 8.240 nan 0.000 0.508 23 Q N 0.208 120.095 119.800 0.145 0.000 2.702 23 Q HA 0.687 5.042 4.340 0.025 0.000 0.289 23 Q C -2.198 173.938 176.000 0.227 0.000 0.923 23 Q CA -1.119 54.762 55.803 0.130 0.000 0.787 23 Q CB 1.034 29.778 28.738 0.010 0.000 1.476 23 Q HN 0.210 nan 8.270 nan 0.000 0.402 24 L N 1.646 123.032 121.223 0.272 0.000 2.439 24 L HA 0.611 4.966 4.340 0.025 0.000 0.270 24 L C -0.627 176.383 176.870 0.233 0.000 0.972 24 L CA -0.898 54.108 54.840 0.278 0.000 0.836 24 L CB 1.853 44.179 42.059 0.445 0.000 1.255 24 L HN 0.835 nan 8.230 nan 0.000 0.404 25 N N 0.753 119.557 118.700 0.173 0.000 2.800 25 N HA -0.198 4.557 4.740 0.025 0.000 0.250 25 N C 0.179 175.795 175.510 0.177 0.000 1.078 25 N CA 0.785 53.931 53.050 0.159 0.000 0.804 25 N CB -0.760 37.774 38.487 0.077 0.000 1.135 25 N HN 0.676 nan 8.380 nan 0.000 0.565 26 R N 0.837 121.356 120.500 0.032 0.000 2.539 26 R HA 0.433 4.787 4.340 0.025 0.000 0.275 26 R C 0.428 176.591 176.300 -0.228 0.000 1.077 26 R CA -0.342 55.548 56.100 -0.350 0.000 1.097 26 R CB 0.544 30.658 30.300 -0.310 0.000 1.018 26 R HN 0.125 nan 8.270 nan 0.000 0.483 27 L N 2.989 124.039 121.223 -0.288 0.000 2.439 27 L HA 0.355 4.710 4.340 0.025 0.000 0.261 27 L C 0.630 177.448 176.870 -0.087 0.000 1.153 27 L CA -0.639 54.130 54.840 -0.120 0.000 0.808 27 L CB 0.965 42.986 42.059 -0.064 0.000 1.126 27 L HN 0.764 nan 8.230 nan 0.000 0.460 28 A N 1.541 124.353 122.820 -0.014 0.000 2.507 28 A HA 0.445 4.780 4.320 0.025 0.000 0.235 28 A C 0.376 177.966 177.584 0.010 0.000 1.070 28 A CA 0.132 52.171 52.037 0.003 0.000 0.768 28 A CB 0.040 19.069 19.000 0.049 0.000 1.011 28 A HN 0.816 nan 8.150 nan 0.000 0.502 29 A N 1.371 124.154 122.820 -0.061 0.000 2.332 29 A HA 0.704 5.038 4.320 0.025 0.000 0.258 29 A C 0.064 177.555 177.584 -0.156 0.000 1.087 29 A CA 0.411 52.337 52.037 -0.185 0.000 0.802 29 A CB 0.002 18.891 19.000 -0.185 0.000 1.042 29 A HN 1.939 nan 8.150 nan 0.000 0.489 30 H N -2.164 116.767 119.070 -0.232 0.000 2.950 30 H HA 0.626 5.197 4.556 0.025 0.000 0.307 30 H C -3.423 171.648 175.328 -0.429 0.000 1.403 30 H CA -1.803 54.056 56.048 -0.314 0.000 1.145 30 H CB 0.068 29.542 29.762 -0.480 0.000 1.844 30 H HN 0.382 nan 8.280 nan 0.000 0.515 31 P HA 0.224 nan 4.420 nan 0.000 0.274 31 P C -2.591 174.576 177.300 -0.221 0.000 1.246 31 P CA -1.460 61.467 63.100 -0.288 0.000 0.795 31 P CB -0.282 31.183 31.700 -0.392 0.000 1.006 32 P HA 0.029 nan 4.420 nan 0.000 0.261 32 P C -0.776 176.692 177.300 0.280 0.000 1.183 32 P CA 1.199 64.327 63.100 0.046 0.000 0.761 32 P CB -0.110 31.649 31.700 0.097 0.000 0.785 33 F N 1.095 121.141 119.950 0.160 0.000 2.631 33 F HA 0.636 5.178 4.527 0.025 0.000 0.328 33 F C 0.906 176.627 175.800 -0.132 0.000 1.067 33 F CA -1.088 56.947 58.000 0.059 0.000 0.969 33 F CB 2.185 41.178 39.000 -0.011 0.000 1.332 33 F HN 0.194 nan 8.300 nan 0.000 0.490 34 A N -0.024 122.719 122.820 -0.129 0.000 2.710 34 A HA 0.260 4.594 4.320 0.025 0.000 0.212 34 A C 0.509 177.808 177.584 -0.475 0.000 1.358 34 A CA 0.494 52.236 52.037 -0.492 0.000 1.048 34 A CB -0.129 18.117 19.000 -1.257 0.000 1.345 34 A HN 0.783 nan 8.150 nan 0.000 0.583 35 S N 0.501 116.028 115.700 -0.288 0.000 3.524 35 S HA -0.150 4.335 4.470 0.025 0.000 0.377 35 S C -0.019 174.530 174.600 -0.086 0.000 0.949 35 S CA 0.454 58.550 58.200 -0.173 0.000 1.264 35 S CB -1.572 61.532 63.200 -0.161 0.000 0.918 35 S HN 0.470 nan 8.310 nan 0.000 0.517 36 W N 1.976 123.255 121.300 -0.036 0.000 2.181 36 W HA 0.212 4.886 4.660 0.024 0.000 0.335 36 W C 1.325 177.821 176.519 -0.039 0.000 1.310 36 W CA -0.547 56.782 57.345 -0.026 0.000 1.226 36 W CB 0.256 29.702 29.460 -0.023 0.000 1.155 36 W HN 0.357 nan 8.180 nan 0.000 0.565 37 R N 1.973 122.599 120.500 0.210 0.000 2.468 37 R HA 0.072 4.427 4.340 0.025 0.000 0.280 37 R C 0.028 176.381 176.300 0.089 0.000 0.963 37 R CA -0.094 56.069 56.100 0.106 0.000 1.083 37 R CB -0.307 30.021 30.300 0.047 0.000 1.200 37 R HN 0.362 nan 8.270 nan 0.000 0.541 38 N N 0.066 118.834 118.700 0.113 0.000 2.430 38 N HA 0.117 4.872 4.740 0.025 0.000 0.290 38 N C -0.222 175.251 175.510 -0.061 0.000 1.063 38 N CA -0.030 53.034 53.050 0.024 0.000 0.883 38 N CB 1.868 40.370 38.487 0.025 0.000 1.465 38 N HN -0.256 nan 8.380 nan 0.000 0.493 39 S N 2.272 117.920 115.700 -0.086 0.000 2.402 39 S HA -0.131 4.354 4.470 0.025 0.000 0.229 39 S C 1.388 175.832 174.600 -0.260 0.000 1.021 39 S CA 0.865 58.975 58.200 -0.149 0.000 0.974 39 S CB 0.004 63.155 63.200 -0.083 0.000 0.800 39 S HN 0.734 nan 8.310 nan 0.000 0.484 40 E N 1.916 121.981 120.200 -0.226 0.000 2.110 40 E HA -0.146 4.219 4.350 0.025 0.000 0.193 40 E C 1.727 178.107 176.600 -0.367 0.000 0.988 40 E CA 1.356 57.584 56.400 -0.286 0.000 0.804 40 E CB -0.233 29.351 29.700 -0.193 0.000 0.745 40 E HN 0.589 nan 8.360 nan 0.000 0.458 41 E N -0.190 119.794 120.200 -0.362 0.000 2.110 41 E HA -0.143 4.222 4.350 0.025 0.000 0.193 41 E C 2.016 178.022 176.600 -0.989 0.000 0.988 41 E CA 1.007 57.135 56.400 -0.454 0.000 0.804 41 E CB -0.212 29.347 29.700 -0.235 0.000 0.745 41 E HN 0.379 nan 8.360 nan 0.000 0.458 42 A N 1.468 123.445 122.820 -1.405 0.000 1.933 42 A HA -0.205 4.130 4.320 0.025 0.000 0.218 42 A C 2.093 179.072 177.584 -1.008 0.000 1.175 42 A CA 1.453 52.325 52.037 -1.942 0.000 0.628 42 A CB -0.426 17.975 19.000 -0.999 0.000 0.814 42 A HN 0.079 nan 8.150 nan 0.000 0.444 43 R N -0.261 119.833 120.500 -0.677 0.000 2.083 43 R HA -0.140 4.215 4.340 0.025 0.000 0.237 43 R C 2.021 178.055 176.300 -0.444 0.000 1.137 43 R CA 2.133 57.887 56.100 -0.578 0.000 0.951 43 R CB -0.419 29.412 30.300 -0.782 0.000 0.851 43 R HN 0.626 nan 8.270 nan 0.000 0.434 44 T N -2.867 111.444 114.554 -0.404 0.000 3.107 44 T HA 0.059 4.424 4.350 0.025 0.000 0.249 44 T C 0.221 174.836 174.700 -0.142 0.000 1.096 44 T CA 0.491 62.445 62.100 -0.243 0.000 1.012 44 T CB 0.143 68.891 68.868 -0.200 0.000 0.977 44 T HN 0.389 nan 8.240 nan 0.000 0.527 45 D N 0.687 120.972 120.400 -0.192 0.000 2.907 45 D HA -0.157 4.498 4.640 0.025 0.000 0.226 45 D C -0.096 176.344 176.300 0.233 0.000 1.141 45 D CA 0.389 54.440 54.000 0.085 0.000 0.779 45 D CB -1.374 39.509 40.800 0.139 0.000 1.095 45 D HN 0.584 nan 8.370 nan 0.000 0.430 46 R N 0.482 121.081 120.500 0.164 0.000 2.582 46 R HA 0.469 4.823 4.340 0.025 0.000 0.271 46 R C -1.981 174.568 176.300 0.414 0.000 1.078 46 R CA -1.266 54.966 56.100 0.221 0.000 1.127 46 R CB 0.360 30.726 30.300 0.110 0.000 1.038 46 R HN 0.093 nan 8.270 nan 0.000 0.500 47 P HA -0.083 nan 4.420 nan 0.000 0.266 47 P C -0.773 176.672 177.300 0.240 0.000 1.193 47 P CA 0.182 63.409 63.100 0.211 0.000 0.770 47 P CB 0.708 32.487 31.700 0.133 0.000 0.836 48 S N 1.431 117.170 115.700 0.065 0.000 2.451 48 S HA 0.126 4.611 4.470 0.025 0.000 0.301 48 S C 1.063 175.675 174.600 0.020 0.000 1.116 48 S CA -0.617 57.560 58.200 -0.039 0.000 1.093 48 S CB 0.494 63.343 63.200 -0.586 0.000 1.017 48 S HN 0.289 nan 8.310 nan 0.000 0.482 49 Q N 2.740 122.586 119.800 0.077 0.000 2.291 49 Q HA -0.098 4.257 4.340 0.025 0.000 0.205 49 Q C 0.910 177.006 176.000 0.160 0.000 0.970 49 Q CA 1.123 56.999 55.803 0.122 0.000 0.876 49 Q CB -0.100 28.713 28.738 0.125 0.000 0.935 49 Q HN 0.717 nan 8.270 nan 0.000 0.455 50 Q N 0.094 119.903 119.800 0.015 0.000 2.444 50 Q HA 0.069 4.424 4.340 0.025 0.000 0.206 50 Q C -0.061 175.969 176.000 0.050 0.000 0.948 50 Q CA 0.294 56.041 55.803 -0.093 0.000 0.946 50 Q CB 0.271 28.887 28.738 -0.203 0.000 1.027 50 Q HN 0.088 nan 8.270 nan 0.000 0.513 51 L N 0.766 122.033 121.223 0.074 0.000 2.345 51 L HA 0.420 4.775 4.340 0.025 0.000 0.274 51 L C -1.201 175.749 176.870 0.132 0.000 0.999 51 L CA -0.424 54.468 54.840 0.086 0.000 0.849 51 L CB 0.976 43.000 42.059 -0.058 0.000 1.220 51 L HN -0.119 nan 8.230 nan 0.000 0.422 52 R N 2.717 123.334 120.500 0.196 0.000 2.460 52 R HA 0.586 4.941 4.340 0.025 0.000 0.303 52 R C -0.454 175.863 176.300 0.029 0.000 0.968 52 R CA -0.683 55.478 56.100 0.102 0.000 0.889 52 R CB 1.903 32.219 30.300 0.026 0.000 1.123 52 R HN 0.653 nan 8.270 nan 0.000 0.455 53 S N 2.400 118.106 115.700 0.010 0.000 2.525 53 S HA 0.266 4.750 4.470 0.025 0.000 0.278 53 S C 0.765 175.352 174.600 -0.022 0.000 1.234 53 S CA -0.695 57.501 58.200 -0.007 0.000 1.058 53 S CB 0.580 63.788 63.200 0.014 0.000 0.983 53 S HN 0.597 nan 8.310 nan 0.000 0.495 54 L N 3.442 124.649 121.223 -0.028 0.000 2.640 54 L HA 0.251 4.605 4.340 0.025 0.000 0.230 54 L C 0.385 177.391 176.870 0.226 0.000 1.123 54 L CA -0.298 54.546 54.840 0.008 0.000 0.900 54 L CB -0.356 41.641 42.059 -0.104 0.000 1.146 54 L HN 0.534 nan 8.230 nan 0.000 0.484 55 N N 1.070 119.852 118.700 0.137 0.000 2.381 55 N HA 0.377 5.132 4.740 0.025 0.000 0.241 55 N C 0.739 176.383 175.510 0.224 0.000 1.279 55 N CA 1.171 54.320 53.050 0.164 0.000 0.896 55 N CB 0.961 39.477 38.487 0.047 0.000 1.118 55 N HN 0.279 nan 8.380 nan 0.000 0.438 56 G N 0.344 109.291 108.800 0.245 0.000 2.250 56 G HA2 -0.124 3.851 3.960 0.025 0.000 0.189 56 G HA3 -0.124 3.851 3.960 0.025 0.000 0.189 56 G C -1.413 173.701 174.900 0.356 0.000 1.298 56 G CA -0.740 44.493 45.100 0.222 0.000 1.246 56 G HN 0.497 nan 8.290 nan 0.000 0.513 57 E N 0.238 120.612 120.200 0.291 0.000 2.194 57 E HA 0.487 4.851 4.350 0.025 0.000 0.284 57 E C -0.904 175.933 176.600 0.395 0.000 1.035 57 E CA -0.271 56.321 56.400 0.321 0.000 0.836 57 E CB 0.964 30.768 29.700 0.172 0.000 1.070 57 E HN 0.368 nan 8.360 nan 0.000 0.401 58 W N 1.767 123.156 121.300 0.149 0.000 2.804 58 W HA 0.432 5.107 4.660 0.025 0.000 0.352 58 W C 0.105 176.758 176.519 0.224 0.000 1.153 58 W CA -0.743 56.725 57.345 0.205 0.000 1.119 58 W CB 0.802 30.438 29.460 0.293 0.000 1.448 58 W HN 0.161 nan 8.180 nan 0.000 0.600 59 R N 1.616 122.405 120.500 0.481 0.000 2.393 59 R HA 0.535 4.890 4.340 0.025 0.000 0.310 59 R C -1.578 174.990 176.300 0.447 0.000 0.968 59 R CA -0.900 55.417 56.100 0.362 0.000 0.867 59 R CB 1.289 31.742 30.300 0.255 0.000 1.124 59 R HN 0.476 nan 8.270 nan 0.000 0.450 60 F N 0.953 120.967 119.950 0.106 0.000 2.569 60 F HA 0.682 5.223 4.527 0.024 0.000 0.312 60 F C -1.402 174.237 175.800 -0.269 0.000 1.109 60 F CA -0.622 57.291 58.000 -0.144 0.000 0.919 60 F CB 1.955 40.778 39.000 -0.296 0.000 1.211 60 F HN 0.623 nan 8.300 nan 0.000 0.446 61 A N 4.535 126.649 122.820 -1.175 0.000 2.475 61 A HA 0.617 4.952 4.320 0.025 0.000 0.301 61 A C -2.370 174.171 177.584 -1.739 0.000 1.059 61 A CA -0.602 50.772 52.037 -1.105 0.000 0.710 61 A CB 0.857 19.496 19.000 -0.601 0.000 1.288 61 A HN 0.964 nan 8.150 nan 0.000 0.408 62 W N 1.901 122.238 121.300 -1.606 0.000 2.551 62 W HA 0.747 5.422 4.660 0.024 0.000 0.330 62 W C -1.801 173.955 176.519 -1.272 0.000 1.063 62 W CA -0.345 56.189 57.345 -1.352 0.000 1.222 62 W CB 1.157 30.134 29.460 -0.806 0.000 1.349 62 W HN 0.508 nan 8.180 nan 0.000 0.536 63 F N 5.422 124.625 119.950 -1.245 0.000 2.613 63 F HA 0.387 4.929 4.527 0.024 0.000 0.314 63 F C -1.370 173.505 175.800 -1.542 0.000 1.075 63 F CA -2.062 55.346 58.000 -0.987 0.000 0.945 63 F CB 1.836 40.446 39.000 -0.650 0.000 1.310 63 F HN 0.183 nan 8.300 nan 0.000 0.467 64 P HA 0.135 nan 4.420 nan 0.000 0.227 64 P C -0.383 176.786 177.300 -0.219 0.000 1.161 64 P CA 0.776 63.614 63.100 -0.437 0.000 0.788 64 P CB 0.792 32.517 31.700 0.042 0.000 0.822 65 A N -0.238 122.466 122.820 -0.192 0.000 2.574 65 A HA 0.548 4.883 4.320 0.025 0.000 0.297 65 A C -2.365 175.105 177.584 -0.190 0.000 1.062 65 A CA -1.247 50.718 52.037 -0.121 0.000 0.686 65 A CB 0.751 19.740 19.000 -0.018 0.000 1.285 65 A HN -0.274 nan 8.150 nan 0.000 0.403 66 P HA -0.131 nan 4.420 nan 0.000 0.219 66 P C 0.665 177.859 177.300 -0.177 0.000 1.146 66 P CA 1.401 64.357 63.100 -0.240 0.000 0.808 66 P CB 0.303 31.832 31.700 -0.286 0.000 0.779 67 E N 0.080 120.230 120.200 -0.085 0.000 2.338 67 E HA -0.027 4.338 4.350 0.025 0.000 0.197 67 E C 2.040 178.549 176.600 -0.152 0.000 1.007 67 E CA 1.044 57.402 56.400 -0.070 0.000 0.849 67 E CB -0.859 28.838 29.700 -0.005 0.000 0.774 67 E HN 0.229 nan 8.360 nan 0.000 0.506 68 A N 0.372 123.065 122.820 -0.212 0.000 2.208 68 A HA 0.070 4.405 4.320 0.025 0.000 0.209 68 A C 0.729 177.966 177.584 -0.577 0.000 1.161 68 A CA -0.074 51.814 52.037 -0.249 0.000 0.782 68 A CB 0.154 19.091 19.000 -0.105 0.000 0.816 68 A HN 0.036 nan 8.150 nan 0.000 0.477 69 V N 3.020 122.511 119.914 -0.705 0.000 2.521 69 V HA 0.192 4.327 4.120 0.025 0.000 0.286 69 V C -2.041 173.704 176.094 -0.582 0.000 1.034 69 V CA -1.258 60.427 62.300 -1.025 0.000 1.045 69 V CB 0.545 31.842 31.823 -0.876 0.000 0.974 69 V HN 0.356 nan 8.190 nan 0.000 0.480 70 P HA 0.315 nan 4.420 nan 0.000 0.279 70 P C 0.466 177.692 177.300 -0.124 0.000 1.239 70 P CA -0.488 62.474 63.100 -0.230 0.000 0.789 70 P CB 1.339 32.958 31.700 -0.136 0.000 0.933 71 E N 1.013 121.164 120.200 -0.083 0.000 2.118 71 E HA -0.210 4.155 4.350 0.025 0.000 0.195 71 E C 1.968 178.550 176.600 -0.031 0.000 0.992 71 E CA 2.003 58.367 56.400 -0.059 0.000 0.804 71 E CB -0.350 29.320 29.700 -0.051 0.000 0.741 71 E HN 0.582 nan 8.360 nan 0.000 0.458 72 S N -0.196 115.500 115.700 -0.007 0.000 2.392 72 S HA -0.266 4.219 4.470 0.025 0.000 0.232 72 S C 1.843 176.467 174.600 0.040 0.000 1.041 72 S CA 1.342 59.549 58.200 0.011 0.000 1.026 72 S CB -0.717 62.497 63.200 0.024 0.000 0.845 72 S HN 0.605 nan 8.310 nan 0.000 0.465 73 W N 1.955 123.163 121.300 -0.152 0.000 2.350 73 W HA 0.012 4.687 4.660 0.024 0.000 0.289 73 W C 1.852 178.260 176.519 -0.184 0.000 1.215 73 W CA 1.231 58.485 57.345 -0.152 0.000 1.236 73 W CB -0.446 28.898 29.460 -0.194 0.000 1.130 73 W HN 0.311 nan 8.180 nan 0.000 0.541 74 L N 0.154 121.219 121.223 -0.263 0.000 2.079 74 L HA -0.203 4.152 4.340 0.025 0.000 0.210 74 L C 2.085 178.724 176.870 -0.386 0.000 1.081 74 L CA 1.898 56.406 54.840 -0.552 0.000 0.752 74 L CB -0.595 41.188 42.059 -0.461 0.000 0.896 74 L HN -0.038 nan 8.230 nan 0.000 0.433 75 E N -2.259 117.811 120.200 -0.218 0.000 2.447 75 E HA 0.063 4.428 4.350 0.025 0.000 0.204 75 E C -0.267 176.257 176.600 -0.127 0.000 0.977 75 E CA -0.032 56.280 56.400 -0.147 0.000 0.950 75 E CB 0.769 30.422 29.700 -0.078 0.000 0.975 75 E HN 0.251 nan 8.360 nan 0.000 0.496 76 C N 0.323 119.552 119.300 -0.119 0.000 2.698 76 C HA 0.366 4.841 4.460 0.025 0.000 0.309 76 C C -0.810 174.163 174.990 -0.028 0.000 1.186 76 C CA -1.192 57.786 59.018 -0.066 0.000 1.474 76 C CB 0.942 28.667 27.740 -0.024 0.000 2.020 76 C HN 0.312 nan 8.230 nan 0.000 0.474 77 D N 2.167 122.565 120.400 -0.003 0.000 2.506 77 D HA 0.193 4.847 4.640 0.025 0.000 0.234 77 D C -0.478 175.893 176.300 0.119 0.000 1.143 77 D CA 0.661 54.703 54.000 0.069 0.000 0.871 77 D CB 0.583 41.417 40.800 0.056 0.000 1.190 77 D HN 0.488 nan 8.370 nan 0.000 0.459 78 L N 5.508 126.845 121.223 0.190 0.000 2.276 78 L HA 0.286 4.640 4.340 0.025 0.000 0.286 78 L C -1.237 175.692 176.870 0.099 0.000 1.061 78 L CA -1.502 53.430 54.840 0.154 0.000 0.807 78 L CB 1.498 43.659 42.059 0.170 0.000 1.177 78 L HN 0.521 nan 8.230 nan 0.000 0.429 79 P HA -0.177 nan 4.420 nan 0.000 0.218 79 P C 0.938 178.266 177.300 0.048 0.000 1.149 79 P CA 1.031 64.163 63.100 0.053 0.000 0.817 79 P CB 0.098 31.822 31.700 0.041 0.000 0.785 80 E N 0.128 120.354 120.200 0.042 0.000 2.265 80 E HA 0.003 4.367 4.350 0.025 0.000 0.196 80 E C 0.975 177.584 176.600 0.015 0.000 0.996 80 E CA 0.250 56.663 56.400 0.022 0.000 0.832 80 E CB -0.752 28.951 29.700 0.005 0.000 0.756 80 E HN 0.129 nan 8.360 nan 0.000 0.491 81 A N 1.549 124.389 122.820 0.034 0.000 2.429 81 A HA 0.055 4.390 4.320 0.025 0.000 0.242 81 A C -0.106 177.530 177.584 0.086 0.000 1.088 81 A CA -0.100 51.959 52.037 0.038 0.000 0.784 81 A CB 0.304 19.353 19.000 0.083 0.000 1.038 81 A HN 0.092 nan 8.150 nan 0.000 0.501 82 D N -0.318 120.164 120.400 0.136 0.000 2.326 82 D HA 0.484 5.138 4.640 0.025 0.000 0.248 82 D C -0.503 175.910 176.300 0.188 0.000 1.001 82 D CA 0.030 54.131 54.000 0.169 0.000 0.961 82 D CB 1.324 42.274 40.800 0.249 0.000 1.183 82 D HN 0.402 nan 8.370 nan 0.000 0.502 83 T N 0.547 115.193 114.554 0.153 0.000 2.771 83 T HA 0.499 4.863 4.350 0.025 0.000 0.291 83 T C 0.042 174.834 174.700 0.153 0.000 0.954 83 T CA -0.507 61.691 62.100 0.163 0.000 1.045 83 T CB 0.643 69.581 68.868 0.117 0.000 0.917 83 T HN 0.270 nan 8.240 nan 0.000 0.484 84 V N 1.243 121.284 119.914 0.210 0.000 3.049 84 V HA 0.743 4.878 4.120 0.025 0.000 0.309 84 V C -0.243 175.971 176.094 0.201 0.000 1.148 84 V CA -1.110 61.267 62.300 0.129 0.000 0.990 84 V CB 1.516 33.428 31.823 0.149 0.000 1.039 84 V HN 0.535 nan 8.190 nan 0.000 0.430 85 V N 2.538 122.531 119.914 0.132 0.000 2.811 85 V HA 0.458 4.592 4.120 0.025 0.000 0.302 85 V C 0.132 176.326 176.094 0.166 0.000 1.063 85 V CA 0.113 62.510 62.300 0.162 0.000 1.088 85 V CB 1.408 33.294 31.823 0.105 0.000 0.982 85 V HN 0.779 nan 8.190 nan 0.000 0.485 86 V N 6.415 126.337 119.914 0.013 0.000 2.638 86 V HA 0.434 4.569 4.120 0.025 0.000 0.306 86 V C -2.321 173.655 176.094 -0.197 0.000 1.052 86 V CA -1.614 60.534 62.300 -0.254 0.000 0.885 86 V CB 2.359 33.622 31.823 -0.934 0.000 0.999 86 V HN 0.762 nan 8.190 nan 0.000 0.424 87 P HA 0.460 nan 4.420 nan 0.000 0.274 87 P C -0.731 176.505 177.300 -0.106 0.000 1.237 87 P CA -0.077 62.901 63.100 -0.205 0.000 0.793 87 P CB 1.266 32.862 31.700 -0.175 0.000 0.977 88 S N -0.139 115.509 115.700 -0.087 0.000 2.611 88 S HA 0.375 4.860 4.470 0.025 0.000 0.270 88 S C -1.370 173.168 174.600 -0.104 0.000 1.131 88 S CA -1.045 57.087 58.200 -0.112 0.000 0.826 88 S CB 0.289 63.356 63.200 -0.222 0.000 1.095 88 S HN 0.357 nan 8.310 nan 0.000 0.461 89 N N 0.957 119.534 118.700 -0.206 0.000 2.424 89 N HA 0.449 5.204 4.740 0.025 0.000 0.271 89 N C 0.572 175.927 175.510 -0.258 0.000 0.985 89 N CA -0.833 52.078 53.050 -0.231 0.000 0.921 89 N CB 0.735 39.053 38.487 -0.282 0.000 1.149 89 N HN 0.853 nan 8.380 nan 0.000 0.492 90 W N 2.717 123.878 121.300 -0.231 0.000 2.364 90 W HA -0.139 4.536 4.660 0.025 0.000 0.281 90 W C 1.040 177.520 176.519 -0.065 0.000 1.219 90 W CA 0.888 58.109 57.345 -0.207 0.000 1.220 90 W CB -0.370 28.991 29.460 -0.164 0.000 1.127 90 W HN 0.506 nan 8.180 nan 0.000 0.556 91 Q N 0.331 120.130 119.800 -0.002 0.000 2.181 91 Q HA -0.161 4.194 4.340 0.025 0.000 0.205 91 Q C 2.140 178.085 176.000 -0.092 0.000 0.980 91 Q CA 1.965 57.745 55.803 -0.038 0.000 0.862 91 Q CB -0.644 27.949 28.738 -0.242 0.000 0.905 91 Q HN 0.244 nan 8.270 nan 0.000 0.429 92 M N -0.833 118.677 119.600 -0.151 0.000 2.557 92 M HA -0.041 4.454 4.480 0.025 0.000 0.259 92 M C 0.651 176.982 176.300 0.053 0.000 1.086 92 M CA 1.339 56.569 55.300 -0.117 0.000 1.096 92 M CB -0.589 31.920 32.600 -0.151 0.000 1.424 92 M HN 0.372 nan 8.290 nan 0.000 0.488 93 H N -1.327 117.746 119.070 0.006 0.000 2.586 93 H HA 0.344 4.915 4.556 0.025 0.000 0.273 93 H C 1.282 176.464 175.328 -0.243 0.000 0.997 93 H CA 0.120 56.136 56.048 -0.053 0.000 1.177 93 H CB 0.396 30.195 29.762 0.062 0.000 1.471 93 H HN 0.515 nan 8.280 nan 0.000 0.538 94 G N 0.590 109.360 108.800 -0.049 0.000 2.141 94 G HA2 -0.365 3.609 3.960 0.025 0.000 0.242 94 G HA3 -0.365 3.609 3.960 0.025 0.000 0.242 94 G C 0.398 175.145 174.900 -0.255 0.000 0.982 94 G CA 0.260 45.272 45.100 -0.148 0.000 0.662 94 G HN 0.500 nan 8.290 nan 0.000 0.527 95 Y N 1.473 121.764 120.300 -0.015 0.000 2.439 95 Y HA 0.283 4.848 4.550 0.025 0.000 0.292 95 Y C 1.583 177.230 175.900 -0.421 0.000 1.130 95 Y CA 1.412 59.371 58.100 -0.236 0.000 1.254 95 Y CB 0.354 38.734 38.460 -0.133 0.000 1.000 95 Y HN 0.640 nan 8.280 nan 0.000 0.554 96 D N -1.768 118.693 120.400 0.102 0.000 2.692 96 D HA 0.420 5.075 4.640 0.025 0.000 0.290 96 D C -1.256 175.129 176.300 0.141 0.000 1.281 96 D CA -0.837 53.239 54.000 0.126 0.000 0.804 96 D CB 0.680 41.691 40.800 0.353 0.000 1.331 96 D HN -0.089 nan 8.370 nan 0.000 0.432 97 A N 0.403 123.314 122.820 0.152 0.000 2.363 97 A HA 0.662 4.997 4.320 0.025 0.000 0.270 97 A C -2.270 175.339 177.584 0.043 0.000 1.121 97 A CA -1.063 51.041 52.037 0.111 0.000 0.800 97 A CB -0.036 19.094 19.000 0.216 0.000 1.052 97 A HN 0.525 nan 8.150 nan 0.000 0.493 98 P HA 0.416 nan 4.420 nan 0.000 0.274 98 P C -0.865 176.575 177.300 0.233 0.000 1.231 98 P CA 0.064 63.080 63.100 -0.139 0.000 0.790 98 P CB 0.778 32.096 31.700 -0.636 0.000 0.951 99 I N 2.401 123.224 120.570 0.422 0.000 2.436 99 I HA 0.232 4.417 4.170 0.025 0.000 0.289 99 I C -0.525 175.783 176.117 0.317 0.000 1.010 99 I CA -0.990 60.555 61.300 0.408 0.000 1.098 99 I CB 1.540 39.712 38.000 0.286 0.000 1.266 99 I HN 0.279 nan 8.210 nan 0.000 0.434 100 Y N 6.435 126.642 120.300 -0.155 0.000 2.504 100 Y HA 0.494 5.058 4.550 0.024 0.000 0.339 100 Y C -0.283 175.451 175.900 -0.277 0.000 0.974 100 Y CA -0.693 57.032 58.100 -0.624 0.000 1.232 100 Y CB 0.982 38.671 38.460 -1.286 0.000 1.108 100 Y HN 0.528 nan 8.280 nan 0.000 0.509 101 T N 5.324 119.431 114.554 -0.745 0.000 2.841 101 T HA 0.260 4.625 4.350 0.025 0.000 0.283 101 T C 0.403 174.613 174.700 -0.817 0.000 1.000 101 T CA -0.583 61.046 62.100 -0.785 0.000 0.977 101 T CB 0.969 69.621 68.868 -0.359 0.000 0.979 101 T HN 0.776 nan 8.240 nan 0.000 0.446 102 N N 3.192 121.418 118.700 -0.789 0.000 2.202 102 N HA 0.017 4.771 4.740 0.025 0.000 0.191 102 N C 1.578 176.827 175.510 -0.435 0.000 1.054 102 N CA 1.652 54.426 53.050 -0.460 0.000 0.877 102 N CB -0.677 37.584 38.487 -0.377 0.000 1.057 102 N HN 0.383 nan 8.380 nan 0.000 0.456 103 V N 0.198 119.788 119.914 -0.539 0.000 2.426 103 V HA 0.090 4.225 4.120 0.025 0.000 0.242 103 V C 0.413 176.210 176.094 -0.496 0.000 1.036 103 V CA 0.964 62.869 62.300 -0.658 0.000 1.044 103 V CB -0.726 30.607 31.823 -0.817 0.000 0.688 103 V HN 0.357 nan 8.190 nan 0.000 0.462 104 T N 1.101 115.433 114.554 -0.370 0.000 2.871 104 T HA 0.099 4.464 4.350 0.025 0.000 0.296 104 T C -0.382 174.206 174.700 -0.187 0.000 0.998 104 T CA 0.269 62.230 62.100 -0.232 0.000 1.162 104 T CB -0.300 68.457 68.868 -0.186 0.000 0.947 104 T HN 0.191 nan 8.240 nan 0.000 0.536 105 Y N 5.132 125.343 120.300 -0.148 0.000 2.610 105 Y HA 0.108 4.672 4.550 0.024 0.000 0.332 105 Y C -0.757 175.025 175.900 -0.197 0.000 1.201 105 Y CA -1.742 56.266 58.100 -0.154 0.000 1.465 105 Y CB 0.431 38.812 38.460 -0.132 0.000 1.283 105 Y HN 0.527 nan 8.280 nan 0.000 0.563 106 P HA -0.054 nan 4.420 nan 0.000 0.239 106 P C -0.232 176.847 177.300 -0.368 0.000 1.184 106 P CA 1.165 64.161 63.100 -0.173 0.000 0.760 106 P CB 0.006 31.635 31.700 -0.118 0.000 0.884 107 I N -5.359 114.982 120.570 -0.380 0.000 3.042 107 I HA 0.478 4.662 4.170 0.025 0.000 0.310 107 I C -0.639 175.352 176.117 -0.210 0.000 1.117 107 I CA -1.222 59.814 61.300 -0.440 0.000 1.003 107 I CB 1.880 39.443 38.000 -0.728 0.000 1.228 107 I HN -0.465 nan 8.210 nan 0.000 0.443 108 T N 2.994 117.463 114.554 -0.141 0.000 2.933 108 T HA 0.119 4.484 4.350 0.025 0.000 0.306 108 T C 0.248 174.940 174.700 -0.014 0.000 1.045 108 T CA -0.166 61.903 62.100 -0.051 0.000 1.143 108 T CB 0.413 69.271 68.868 -0.016 0.000 1.003 108 T HN 0.385 nan 8.240 nan 0.000 0.540 109 V N 5.064 124.980 119.914 0.004 0.000 2.352 109 V HA 0.235 4.369 4.120 0.025 0.000 0.253 109 V C 0.725 176.852 176.094 0.055 0.000 1.083 109 V CA -0.253 62.060 62.300 0.022 0.000 0.993 109 V CB -0.302 31.510 31.823 -0.019 0.000 1.111 109 V HN 0.820 nan 8.190 nan 0.000 0.490 110 N N 5.802 124.595 118.700 0.155 0.000 2.666 110 N HA 0.254 5.009 4.740 0.025 0.000 0.253 110 N C -2.944 172.648 175.510 0.136 0.000 1.621 110 N CA -1.382 51.760 53.050 0.153 0.000 0.785 110 N CB 1.564 40.203 38.487 0.253 0.000 1.332 110 N HN 0.265 nan 8.380 nan 0.000 0.514 111 P HA 0.159 nan 4.420 nan 0.000 0.264 111 P C -2.328 174.763 177.300 -0.348 0.000 1.183 111 P CA -0.612 62.105 63.100 -0.639 0.000 0.763 111 P CB 0.535 31.712 31.700 -0.871 0.000 0.807 112 P HA 0.257 nan 4.420 nan 0.000 0.274 112 P C -0.348 176.889 177.300 -0.105 0.000 1.673 112 P CA -0.398 62.544 63.100 -0.263 0.000 1.193 112 P CB 0.067 31.589 31.700 -0.296 0.000 1.571 113 F N 1.063 121.159 119.950 0.243 0.000 2.406 113 F HA 0.294 4.836 4.527 0.025 0.000 0.327 113 F C 1.398 177.365 175.800 0.279 0.000 1.153 113 F CA -0.502 57.630 58.000 0.220 0.000 1.218 113 F CB 0.991 40.068 39.000 0.128 0.000 1.215 113 F HN -0.178 nan 8.300 nan 0.000 0.570 114 V N -0.562 119.647 119.914 0.491 0.000 3.141 114 V HA 0.671 4.806 4.120 0.025 0.000 0.312 114 V C -2.788 173.468 176.094 0.270 0.000 1.157 114 V CA -2.702 59.786 62.300 0.313 0.000 1.041 114 V CB 1.576 33.613 31.823 0.356 0.000 1.071 114 V HN 0.461 nan 8.190 nan 0.000 0.441 115 P HA 0.195 nan 4.420 nan 0.000 0.267 115 P C 0.991 178.417 177.300 0.210 0.000 1.200 115 P CA 0.618 63.806 63.100 0.146 0.000 0.772 115 P CB 0.657 32.412 31.700 0.091 0.000 0.855 116 T N -1.351 113.298 114.554 0.158 0.000 2.904 116 T HA -0.079 4.286 4.350 0.025 0.000 0.267 116 T C 0.536 175.330 174.700 0.155 0.000 1.059 116 T CA 0.746 62.945 62.100 0.165 0.000 1.137 116 T CB -0.540 68.395 68.868 0.111 0.000 0.879 116 T HN 0.333 nan 8.240 nan 0.000 0.467 117 E N 2.633 122.923 120.200 0.150 0.000 2.003 117 E HA 0.307 4.672 4.350 0.025 0.000 0.279 117 E C -0.684 176.048 176.600 0.219 0.000 1.132 117 E CA -0.294 56.198 56.400 0.154 0.000 0.888 117 E CB 0.179 29.979 29.700 0.166 0.000 1.056 117 E HN 0.261 nan 8.360 nan 0.000 0.399 118 N N 4.718 123.520 118.700 0.170 0.000 2.531 118 N HA 0.275 5.030 4.740 0.025 0.000 0.268 118 N C -2.857 172.674 175.510 0.035 0.000 1.023 118 N CA -2.598 50.591 53.050 0.231 0.000 0.896 118 N CB 1.204 39.815 38.487 0.206 0.000 1.233 118 N HN 0.054 nan 8.380 nan 0.000 0.512 119 P HA 0.016 nan 4.420 nan 0.000 0.260 119 P C -0.798 176.431 177.300 -0.118 0.000 1.172 119 P CA 0.490 63.542 63.100 -0.079 0.000 0.760 119 P CB 0.349 32.312 31.700 0.439 0.000 0.773 120 T N 3.035 117.252 114.554 -0.561 0.000 2.786 120 T HA 0.559 4.924 4.350 0.025 0.000 0.283 120 T C 0.292 174.474 174.700 -0.863 0.000 0.992 120 T CA -0.522 61.296 62.100 -0.470 0.000 0.954 120 T CB 1.379 70.006 68.868 -0.402 0.000 0.934 120 T HN 0.344 nan 8.240 nan 0.000 0.440 121 G N 1.173 109.557 108.800 -0.693 0.000 2.384 121 G HA2 0.473 4.448 3.960 0.025 0.000 0.316 121 G HA3 0.473 4.448 3.960 0.025 0.000 0.316 121 G C -0.275 174.319 174.900 -0.510 0.000 1.160 121 G CA -0.373 44.141 45.100 -0.977 0.000 0.936 121 G HN 0.852 nan 8.290 nan 0.000 0.455 122 C N 3.513 122.280 119.300 -0.889 0.000 2.176 122 C HA 0.435 4.910 4.460 0.025 0.000 0.329 122 C C -0.493 174.451 174.990 -0.077 0.000 1.113 122 C CA -1.016 57.670 59.018 -0.554 0.000 1.562 122 C CB -1.933 25.105 27.740 -1.170 0.000 2.040 122 C HN 0.620 nan 8.230 nan 0.000 0.460 123 Y N 2.004 122.594 120.300 0.482 0.000 2.352 123 Y HA 0.619 5.184 4.550 0.025 0.000 0.326 123 Y C 0.865 177.212 175.900 0.745 0.000 1.166 123 Y CA -0.187 58.300 58.100 0.646 0.000 1.182 123 Y CB 1.254 40.078 38.460 0.607 0.000 1.216 123 Y HN 0.660 nan 8.280 nan 0.000 0.474 124 S N 2.226 118.392 115.700 0.777 0.000 2.607 124 S HA 0.843 5.328 4.470 0.025 0.000 0.273 124 S C -1.869 172.795 174.600 0.106 0.000 1.148 124 S CA -0.836 57.595 58.200 0.386 0.000 0.833 124 S CB 2.220 65.511 63.200 0.152 0.000 1.130 124 S HN 0.650 nan 8.310 nan 0.000 0.470 125 L N 0.482 121.603 121.223 -0.171 0.000 2.549 125 L HA 0.704 5.059 4.340 0.025 0.000 0.259 125 L C -1.235 175.576 176.870 -0.098 0.000 0.934 125 L CA 0.115 54.706 54.840 -0.415 0.000 0.865 125 L CB 2.190 43.487 42.059 -1.270 0.000 1.352 125 L HN 0.907 nan 8.230 nan 0.000 0.410 126 T N 5.424 119.947 114.554 -0.051 0.000 2.767 126 T HA 0.775 5.139 4.350 0.025 0.000 0.284 126 T C -0.822 173.928 174.700 0.082 0.000 0.973 126 T CA 0.020 62.124 62.100 0.007 0.000 0.996 126 T CB 0.352 69.188 68.868 -0.054 0.000 0.927 126 T HN 0.486 nan 8.240 nan 0.000 0.456 127 F N 0.757 120.604 119.950 -0.171 0.000 2.686 127 F HA 0.714 5.256 4.527 0.025 0.000 0.311 127 F C -0.816 174.901 175.800 -0.139 0.000 1.128 127 F CA -1.573 56.326 58.000 -0.168 0.000 0.946 127 F CB 1.367 40.244 39.000 -0.205 0.000 1.336 127 F HN 0.381 nan 8.300 nan 0.000 0.457 128 N N 0.431 119.050 118.700 -0.135 0.000 2.473 128 N HA 0.617 5.372 4.740 0.025 0.000 0.291 128 N C -1.887 173.498 175.510 -0.207 0.000 1.083 128 N CA -0.413 52.499 53.050 -0.230 0.000 0.951 128 N CB 1.888 40.298 38.487 -0.129 0.000 1.164 128 N HN 0.647 nan 8.380 nan 0.000 0.480 129 V N 2.661 122.423 119.914 -0.254 0.000 2.487 129 V HA 0.264 4.398 4.120 0.025 0.000 0.298 129 V C -0.301 175.689 176.094 -0.172 0.000 1.028 129 V CA -0.985 61.182 62.300 -0.222 0.000 0.860 129 V CB 1.445 33.186 31.823 -0.137 0.000 0.991 129 V HN 0.763 nan 8.190 nan 0.000 0.427 130 D N 2.727 122.998 120.400 -0.215 0.000 2.302 130 D HA 0.075 4.729 4.640 0.025 0.000 0.248 130 D C 0.934 177.255 176.300 0.035 0.000 1.094 130 D CA -0.254 53.698 54.000 -0.080 0.000 0.897 130 D CB 1.918 42.685 40.800 -0.055 0.000 1.200 130 D HN 0.692 nan 8.370 nan 0.000 0.429 131 E N 1.674 121.901 120.200 0.045 0.000 2.171 131 E HA -0.216 4.148 4.350 0.025 0.000 0.197 131 E C 1.826 178.501 176.600 0.126 0.000 0.997 131 E CA 1.751 58.196 56.400 0.075 0.000 0.810 131 E CB -0.207 29.520 29.700 0.046 0.000 0.738 131 E HN 0.482 nan 8.360 nan 0.000 0.467 132 S N -0.999 114.789 115.700 0.146 0.000 2.383 132 S HA -0.187 4.298 4.470 0.025 0.000 0.229 132 S C 1.844 176.541 174.600 0.163 0.000 1.030 132 S CA 1.138 59.423 58.200 0.142 0.000 1.002 132 S CB -0.955 62.323 63.200 0.129 0.000 0.829 132 S HN 0.407 nan 8.310 nan 0.000 0.467 133 W N 1.813 123.070 121.300 -0.071 0.000 2.425 133 W HA 0.319 4.994 4.660 0.025 0.000 0.277 133 W C 1.956 178.577 176.519 0.169 0.000 1.231 133 W CA 0.083 57.397 57.345 -0.051 0.000 1.248 133 W CB -0.473 29.017 29.460 0.049 0.000 1.117 133 W HN 0.312 nan 8.180 nan 0.000 0.568 134 L N -0.926 120.490 121.223 0.322 0.000 2.513 134 L HA 0.093 4.448 4.340 0.025 0.000 0.222 134 L C 2.118 179.081 176.870 0.156 0.000 1.096 134 L CA 0.370 55.346 54.840 0.226 0.000 0.857 134 L CB -0.666 41.492 42.059 0.167 0.000 1.026 134 L HN -0.106 nan 8.230 nan 0.000 0.469 135 Q N 0.243 120.125 119.800 0.137 0.000 2.172 135 Q HA 0.014 4.369 4.340 0.025 0.000 0.200 135 Q C 0.244 176.299 176.000 0.092 0.000 0.964 135 Q CA 1.033 56.892 55.803 0.093 0.000 0.855 135 Q CB 0.620 29.400 28.738 0.070 0.000 0.918 135 Q HN 0.255 nan 8.270 nan 0.000 0.444 136 E N -1.708 118.567 120.200 0.125 0.000 2.393 136 E HA 0.504 4.869 4.350 0.025 0.000 0.273 136 E C -0.283 176.423 176.600 0.177 0.000 0.918 136 E CA 0.167 56.637 56.400 0.117 0.000 0.773 136 E CB 1.761 31.520 29.700 0.099 0.000 1.275 136 E HN 0.277 nan 8.360 nan 0.000 0.451 137 G N 1.522 110.356 108.800 0.056 0.000 2.693 137 G HA2 -0.242 3.733 3.960 0.025 0.000 0.226 137 G HA3 -0.242 3.733 3.960 0.025 0.000 0.226 137 G C -0.602 174.193 174.900 -0.174 0.000 1.354 137 G CA -0.007 45.024 45.100 -0.117 0.000 0.873 137 G HN 0.504 nan 8.290 nan 0.000 0.562 138 Q N -0.537 118.999 119.800 -0.439 0.000 2.337 138 Q HA 0.643 4.997 4.340 0.025 0.000 0.270 138 Q C -1.013 174.834 176.000 -0.255 0.000 1.043 138 Q CA -0.483 55.181 55.803 -0.233 0.000 0.794 138 Q CB 1.629 30.272 28.738 -0.158 0.000 1.281 138 Q HN 0.644 nan 8.270 nan 0.000 0.446 139 T N 4.926 119.505 114.554 0.041 0.000 2.772 139 T HA 0.460 4.825 4.350 0.025 0.000 0.288 139 T C -0.524 174.295 174.700 0.198 0.000 0.994 139 T CA -0.653 61.580 62.100 0.222 0.000 0.951 139 T CB 0.508 69.645 68.868 0.449 0.000 0.933 139 T HN 0.621 nan 8.240 nan 0.000 0.447 140 R N 2.866 123.471 120.500 0.175 0.000 2.873 140 R HA 0.780 5.135 4.340 0.025 0.000 0.264 140 R C -1.063 175.331 176.300 0.157 0.000 1.026 140 R CA -0.983 55.211 56.100 0.158 0.000 1.002 140 R CB 1.459 31.827 30.300 0.113 0.000 1.174 140 R HN 0.547 nan 8.270 nan 0.000 0.488 141 I N 2.094 122.754 120.570 0.151 0.000 2.460 141 I HA 0.426 4.611 4.170 0.025 0.000 0.298 141 I C -1.036 175.109 176.117 0.047 0.000 0.989 141 I CA -1.208 60.125 61.300 0.056 0.000 1.173 141 I CB 1.343 39.366 38.000 0.039 0.000 1.338 141 I HN 0.592 nan 8.210 nan 0.000 0.456 142 I N 7.309 127.804 120.570 -0.124 0.000 2.447 142 I HA 0.281 4.466 4.170 0.025 0.000 0.287 142 I C -1.261 174.687 176.117 -0.282 0.000 1.023 142 I CA -0.369 60.880 61.300 -0.085 0.000 1.083 142 I CB 1.458 39.426 38.000 -0.053 0.000 1.245 142 I HN 0.387 nan 8.210 nan 0.000 0.434 143 F N 4.666 124.597 119.950 -0.032 0.000 2.313 143 F HA 0.256 4.798 4.527 0.024 0.000 0.369 143 F C 1.333 177.019 175.800 -0.190 0.000 1.109 143 F CA -0.410 57.494 58.000 -0.159 0.000 1.132 143 F CB 0.601 39.448 39.000 -0.255 0.000 1.291 143 F HN 0.470 nan 8.300 nan 0.000 0.496 144 D N 2.286 122.609 120.400 -0.129 0.000 2.219 144 D HA 0.009 4.664 4.640 0.025 0.000 0.205 144 D C 1.062 177.205 176.300 -0.262 0.000 0.970 144 D CA 0.939 54.818 54.000 -0.201 0.000 0.851 144 D CB 0.363 40.986 40.800 -0.296 0.000 0.943 144 D HN 0.601 nan 8.370 nan 0.000 0.488 145 G N -0.448 108.133 108.800 -0.365 0.000 2.684 145 G HA2 0.463 4.438 3.960 0.025 0.000 0.289 145 G HA3 0.463 4.438 3.960 0.025 0.000 0.289 145 G C -1.459 173.205 174.900 -0.393 0.000 1.416 145 G CA -0.355 44.416 45.100 -0.549 0.000 1.235 145 G HN -0.058 nan 8.290 nan 0.000 0.576 146 V N 2.671 122.560 119.914 -0.043 0.000 2.567 146 V HA 0.485 4.619 4.120 0.025 0.000 0.298 146 V C -0.948 175.243 176.094 0.162 0.000 1.047 146 V CA -1.155 61.128 62.300 -0.028 0.000 0.880 146 V CB 1.911 33.477 31.823 -0.428 0.000 1.009 146 V HN 0.713 nan 8.190 nan 0.000 0.429 147 N N 2.448 121.239 118.700 0.151 0.000 2.417 147 N HA 0.345 5.100 4.740 0.025 0.000 0.274 147 N C 0.658 176.095 175.510 -0.121 0.000 0.987 147 N CA 0.118 53.160 53.050 -0.014 0.000 0.912 147 N CB 2.264 40.588 38.487 -0.270 0.000 1.177 147 N HN 0.660 nan 8.380 nan 0.000 0.490 148 S N 1.780 117.438 115.700 -0.071 0.000 2.512 148 S HA 0.571 5.056 4.470 0.025 0.000 0.216 148 S C 0.366 175.020 174.600 0.090 0.000 1.006 148 S CA 0.008 58.223 58.200 0.026 0.000 0.915 148 S CB 0.305 63.533 63.200 0.046 0.000 0.824 148 S HN 0.673 nan 8.310 nan 0.000 0.497 149 A N 0.871 123.753 122.820 0.104 0.000 2.609 149 A HA 0.802 5.136 4.320 0.025 0.000 0.291 149 A C -1.298 176.361 177.584 0.125 0.000 1.096 149 A CA -1.031 51.026 52.037 0.033 0.000 0.684 149 A CB 0.889 19.934 19.000 0.076 0.000 1.282 149 A HN 1.008 nan 8.150 nan 0.000 0.412 150 F N -0.956 118.808 119.950 -0.309 0.000 2.693 150 F HA 0.745 5.287 4.527 0.024 0.000 0.309 150 F C -1.075 174.624 175.800 -0.169 0.000 1.129 150 F CA -0.806 57.113 58.000 -0.135 0.000 0.948 150 F CB 1.186 40.097 39.000 -0.149 0.000 1.315 150 F HN 0.620 nan 8.300 nan 0.000 0.447 151 H N 1.757 120.972 119.070 0.243 0.000 2.492 151 H HA 0.702 5.273 4.556 0.025 0.000 0.345 151 H C -1.485 173.849 175.328 0.010 0.000 1.136 151 H CA -0.720 55.375 56.048 0.078 0.000 1.202 151 H CB 2.537 32.355 29.762 0.092 0.000 1.524 151 H HN 0.779 nan 8.280 nan 0.000 0.506 152 L N 3.152 124.201 121.223 -0.290 0.000 2.365 152 L HA 0.436 4.790 4.340 0.025 0.000 0.273 152 L C -1.568 175.022 176.870 -0.466 0.000 1.000 152 L CA -0.463 54.261 54.840 -0.194 0.000 0.819 152 L CB 1.549 43.365 42.059 -0.405 0.000 1.284 152 L HN 0.527 nan 8.230 nan 0.000 0.418 153 W N 4.083 125.355 121.300 -0.047 0.000 2.950 153 W HA 0.629 5.304 4.660 0.025 0.000 0.340 153 W C -1.192 175.274 176.519 -0.089 0.000 1.139 153 W CA -0.852 56.453 57.345 -0.067 0.000 1.188 153 W CB 2.007 31.484 29.460 0.028 0.000 1.426 153 W HN 0.655 nan 8.180 nan 0.000 0.531 154 C N 3.693 123.085 119.300 0.154 0.000 2.535 154 C HA 0.313 4.788 4.460 0.025 0.000 0.319 154 C C 0.288 175.402 174.990 0.208 0.000 1.171 154 C CA -0.379 58.714 59.018 0.125 0.000 1.394 154 C CB 0.016 27.744 27.740 -0.020 0.000 1.990 154 C HN 0.822 nan 8.230 nan 0.000 0.466 155 N N 3.254 122.033 118.700 0.132 0.000 2.710 155 N HA -0.199 4.556 4.740 0.025 0.000 0.249 155 N C 1.038 176.614 175.510 0.111 0.000 1.059 155 N CA 2.166 55.270 53.050 0.090 0.000 0.720 155 N CB -1.225 37.319 38.487 0.095 0.000 0.983 155 N HN 1.914 nan 8.380 nan 0.000 0.544 156 G N -1.325 107.536 108.800 0.101 0.000 2.205 156 G HA2 -0.371 3.604 3.960 0.025 0.000 0.261 156 G HA3 -0.371 3.604 3.960 0.025 0.000 0.261 156 G C 0.156 175.228 174.900 0.287 0.000 0.980 156 G CA 0.657 45.813 45.100 0.093 0.000 0.632 156 G HN 0.563 nan 8.290 nan 0.000 0.533 157 R N -0.961 119.773 120.500 0.389 0.000 2.407 157 R HA 0.445 4.800 4.340 0.025 0.000 0.303 157 R C -0.124 176.533 176.300 0.594 0.000 0.981 157 R CA -0.881 55.525 56.100 0.510 0.000 0.905 157 R CB 1.060 31.655 30.300 0.493 0.000 1.099 157 R HN 0.245 nan 8.270 nan 0.000 0.459 158 W N 3.715 125.219 121.300 0.340 0.000 2.251 158 W HA 0.070 4.744 4.660 0.024 0.000 0.327 158 W C -0.030 176.437 176.519 -0.087 0.000 1.361 158 W CA 0.072 57.300 57.345 -0.195 0.000 1.234 158 W CB 0.654 29.909 29.460 -0.342 0.000 1.212 158 W HN 0.330 nan 8.180 nan 0.000 0.557 159 V N 5.259 124.424 119.914 -1.249 0.000 2.721 159 V HA 0.540 4.675 4.120 0.025 0.000 0.236 159 V C 1.036 176.134 176.094 -1.660 0.000 1.116 159 V CA 0.980 62.530 62.300 -1.251 0.000 1.148 159 V CB -0.361 30.766 31.823 -1.159 0.000 0.886 159 V HN 0.815 nan 8.190 nan 0.000 0.490 160 G N -1.851 105.778 108.800 -1.951 0.000 2.490 160 G HA2 0.514 4.489 3.960 0.025 0.000 0.308 160 G HA3 0.514 4.489 3.960 0.025 0.000 0.308 160 G C -2.440 172.024 174.900 -0.727 0.000 1.286 160 G CA -0.299 44.013 45.100 -1.313 0.000 0.825 160 G HN 0.021 nan 8.290 nan 0.000 0.479 161 Y N -0.712 119.315 120.300 -0.456 0.000 2.544 161 Y HA 0.664 5.228 4.550 0.024 0.000 0.342 161 Y C -0.149 175.528 175.900 -0.372 0.000 1.062 161 Y CA 0.022 57.817 58.100 -0.509 0.000 1.023 161 Y CB 2.209 40.482 38.460 -0.313 0.000 1.308 161 Y HN 1.230 nan 8.280 nan 0.000 0.457 162 G N 3.785 111.715 108.800 -1.449 0.000 2.720 162 G HA2 0.583 4.557 3.960 0.025 0.000 0.295 162 G HA3 0.583 4.557 3.960 0.025 0.000 0.295 162 G C -2.171 172.253 174.900 -0.794 0.000 1.437 162 G CA -0.813 43.740 45.100 -0.912 0.000 0.886 162 G HN 0.621 nan 8.290 nan 0.000 0.509 163 Q N -0.449 119.156 119.800 -0.325 0.000 2.683 163 Q HA 0.573 4.928 4.340 0.025 0.000 0.302 163 Q C -1.473 174.528 176.000 0.001 0.000 1.042 163 Q CA -0.788 54.947 55.803 -0.115 0.000 0.773 163 Q CB 2.778 31.494 28.738 -0.037 0.000 1.508 163 Q HN 0.720 nan 8.270 nan 0.000 0.459 164 D N -0.180 120.257 120.400 0.061 0.000 4.303 164 D HA -0.097 4.558 4.640 0.025 0.000 0.230 164 D C -0.631 175.732 176.300 0.105 0.000 1.172 164 D CA 0.560 54.612 54.000 0.086 0.000 1.001 164 D CB -0.720 40.116 40.800 0.060 0.000 0.641 164 D HN 0.514 nan 8.370 nan 0.000 0.296 165 S N 3.453 119.228 115.700 0.125 0.000 2.595 165 S HA -0.048 4.436 4.470 0.025 0.000 0.235 165 S C 1.468 176.186 174.600 0.196 0.000 0.974 165 S CA 0.476 58.775 58.200 0.165 0.000 0.942 165 S CB 0.197 63.467 63.200 0.116 0.000 0.766 165 S HN 0.483 nan 8.310 nan 0.000 0.536 166 R N 0.203 120.786 120.500 0.138 0.000 2.596 166 R HA 0.422 4.777 4.340 0.025 0.000 0.369 166 R C -0.539 175.813 176.300 0.087 0.000 1.042 166 R CA 0.046 56.224 56.100 0.130 0.000 1.120 166 R CB 0.221 30.621 30.300 0.167 0.000 1.353 166 R HN 0.313 nan 8.270 nan 0.000 0.564 167 L N 1.383 122.632 121.223 0.043 0.000 2.350 167 L HA 0.524 4.878 4.340 0.025 0.000 0.260 167 L C -2.401 174.447 176.870 -0.036 0.000 1.015 167 L CA -2.361 52.475 54.840 -0.007 0.000 0.821 167 L CB 2.780 44.826 42.059 -0.022 0.000 1.370 167 L HN -0.218 nan 8.230 nan 0.000 0.416 168 P HA 0.085 nan 4.420 nan 0.000 0.271 168 P C -0.941 176.324 177.300 -0.058 0.000 1.220 168 P CA -0.116 62.935 63.100 -0.082 0.000 0.768 168 P CB 0.953 32.561 31.700 -0.153 0.000 0.848 169 S N 2.728 118.459 115.700 0.052 0.000 2.438 169 S HA 0.261 4.746 4.470 0.025 0.000 0.316 169 S C -0.192 174.378 174.600 -0.049 0.000 1.084 169 S CA -0.550 57.668 58.200 0.030 0.000 1.107 169 S CB 0.546 63.939 63.200 0.321 0.000 0.981 169 S HN 0.357 nan 8.310 nan 0.000 0.466 170 E N 2.304 122.258 120.200 -0.410 0.000 2.199 170 E HA 0.545 4.910 4.350 0.025 0.000 0.269 170 E C -1.351 174.818 176.600 -0.718 0.000 0.899 170 E CA -0.536 55.671 56.400 -0.322 0.000 0.772 170 E CB 1.555 31.186 29.700 -0.116 0.000 1.155 170 E HN 0.403 nan 8.360 nan 0.000 0.408 171 F N 0.604 120.615 119.950 0.100 0.000 2.565 171 F HA 0.183 4.725 4.527 0.025 0.000 0.313 171 F C 0.122 175.947 175.800 0.041 0.000 1.091 171 F CA -1.148 56.874 58.000 0.036 0.000 0.915 171 F CB 1.467 40.454 39.000 -0.021 0.000 1.208 171 F HN 0.280 nan 8.300 nan 0.000 0.453 172 D N 2.978 123.504 120.400 0.211 0.000 2.338 172 D HA 0.155 4.810 4.640 0.025 0.000 0.255 172 D C 0.358 176.789 176.300 0.219 0.000 1.237 172 D CA 0.374 54.482 54.000 0.180 0.000 0.883 172 D CB 0.820 41.712 40.800 0.153 0.000 1.087 172 D HN 0.572 nan 8.370 nan 0.000 0.485 173 L N 2.969 124.322 121.223 0.217 0.000 2.628 173 L HA 0.018 4.373 4.340 0.025 0.000 0.229 173 L C 2.121 179.217 176.870 0.376 0.000 1.137 173 L CA -0.204 54.792 54.840 0.259 0.000 0.909 173 L CB -0.014 42.167 42.059 0.205 0.000 1.137 173 L HN 0.283 nan 8.230 nan 0.000 0.470 174 S N 1.461 117.333 115.700 0.286 0.000 2.381 174 S HA -0.293 4.192 4.470 0.025 0.000 0.230 174 S C 1.984 176.707 174.600 0.206 0.000 1.052 174 S CA 1.946 60.280 58.200 0.222 0.000 1.068 174 S CB -0.147 63.138 63.200 0.142 0.000 0.918 174 S HN 0.585 nan 8.310 nan 0.000 0.448 175 A N -0.927 122.015 122.820 0.202 0.000 2.238 175 A HA 0.356 4.691 4.320 0.025 0.000 0.208 175 A C 1.150 178.659 177.584 -0.125 0.000 1.177 175 A CA 0.306 52.340 52.037 -0.006 0.000 0.804 175 A CB -0.375 18.536 19.000 -0.149 0.000 0.823 175 A HN 0.495 nan 8.150 nan 0.000 0.482 176 F N -1.274 118.718 119.950 0.071 0.000 2.784 176 F HA 0.396 4.938 4.527 0.025 0.000 0.323 176 F C 0.549 176.385 175.800 0.061 0.000 1.085 176 F CA -0.175 57.865 58.000 0.067 0.000 1.196 176 F CB 0.323 39.369 39.000 0.077 0.000 1.053 176 F HN -0.027 nan 8.300 nan 0.000 0.578 177 L N 0.958 122.333 121.223 0.253 0.000 2.365 177 L HA 0.602 4.957 4.340 0.025 0.000 0.267 177 L C 0.029 176.945 176.870 0.077 0.000 1.033 177 L CA -0.952 53.973 54.840 0.142 0.000 0.802 177 L CB 1.336 43.491 42.059 0.159 0.000 1.267 177 L HN -0.058 nan 8.230 nan 0.000 0.457 178 R N 0.966 121.473 120.500 0.013 0.000 2.740 178 R HA 0.717 5.072 4.340 0.025 0.000 0.273 178 R C -1.231 175.048 176.300 -0.035 0.000 0.998 178 R CA -0.706 55.392 56.100 -0.003 0.000 0.900 178 R CB 1.622 31.912 30.300 -0.017 0.000 1.223 178 R HN 0.593 nan 8.270 nan 0.000 0.466 179 A N 1.300 124.110 122.820 -0.017 0.000 2.520 179 A HA 0.459 4.794 4.320 0.025 0.000 0.235 179 A C 1.060 178.599 177.584 -0.075 0.000 1.065 179 A CA 1.309 53.325 52.037 -0.034 0.000 0.764 179 A CB -0.714 18.280 19.000 -0.011 0.000 1.002 179 A HN 1.558 nan 8.150 nan 0.000 0.502 180 G N 0.922 109.659 108.800 -0.104 0.000 2.484 180 G HA2 -0.065 3.910 3.960 0.025 0.000 0.225 180 G HA3 -0.065 3.910 3.960 0.025 0.000 0.225 180 G C -0.427 174.346 174.900 -0.212 0.000 1.250 180 G CA -0.050 44.973 45.100 -0.129 0.000 0.926 180 G HN 0.958 nan 8.290 nan 0.000 0.581 181 E N 2.126 122.207 120.200 -0.198 0.000 2.366 181 E HA 0.357 4.722 4.350 0.025 0.000 0.266 181 E C 0.504 176.905 176.600 -0.332 0.000 1.015 181 E CA 0.153 56.395 56.400 -0.262 0.000 0.906 181 E CB 0.269 29.866 29.700 -0.171 0.000 0.979 181 E HN 0.481 nan 8.360 nan 0.000 0.443 182 N N 2.451 120.804 118.700 -0.577 0.000 2.321 182 N HA 0.410 5.165 4.740 0.025 0.000 0.290 182 N C -0.667 174.554 175.510 -0.483 0.000 1.212 182 N CA -0.709 52.000 53.050 -0.569 0.000 0.767 182 N CB 2.509 40.523 38.487 -0.788 0.000 1.494 182 N HN 0.159 nan 8.380 nan 0.000 0.479 183 R N 1.399 121.798 120.500 -0.168 0.000 2.513 183 R HA 0.489 4.844 4.340 0.025 0.000 0.301 183 R C -1.225 175.137 176.300 0.104 0.000 0.968 183 R CA -0.462 55.634 56.100 -0.006 0.000 0.872 183 R CB 1.074 31.333 30.300 -0.068 0.000 1.177 183 R HN 0.489 nan 8.270 nan 0.000 0.444 184 L N 2.857 124.184 121.223 0.173 0.000 2.334 184 L HA 0.753 5.108 4.340 0.025 0.000 0.275 184 L C -0.477 176.436 176.870 0.072 0.000 1.036 184 L CA -0.671 54.271 54.840 0.169 0.000 0.807 184 L CB 1.952 44.113 42.059 0.171 0.000 1.231 184 L HN 0.774 nan 8.230 nan 0.000 0.438 185 A N 3.154 126.030 122.820 0.094 0.000 2.398 185 A HA 0.769 5.104 4.320 0.025 0.000 0.301 185 A C -1.350 176.477 177.584 0.405 0.000 1.041 185 A CA -0.452 51.506 52.037 -0.132 0.000 0.711 185 A CB 1.713 20.107 19.000 -1.010 0.000 1.240 185 A HN 0.350 nan 8.150 nan 0.000 0.420 186 V N 2.913 123.254 119.914 0.712 0.000 2.443 186 V HA 0.490 4.625 4.120 0.025 0.000 0.293 186 V C -0.146 176.510 176.094 0.936 0.000 1.021 186 V CA -0.306 62.455 62.300 0.768 0.000 0.848 186 V CB 1.528 33.620 31.823 0.449 0.000 0.998 186 V HN 0.974 nan 8.190 nan 0.000 0.424 187 M N 6.013 126.168 119.600 0.924 0.000 2.080 187 M HA 0.603 5.098 4.480 0.025 0.000 0.350 187 M C -1.424 175.139 176.300 0.438 0.000 1.173 187 M CA -0.339 55.301 55.300 0.567 0.000 1.052 187 M CB 1.088 34.022 32.600 0.557 0.000 1.577 187 M HN 0.503 nan 8.290 nan 0.000 0.455 188 V N 6.225 126.353 119.914 0.358 0.000 2.398 188 V HA 0.409 4.544 4.120 0.025 0.000 0.286 188 V C -0.234 176.032 176.094 0.287 0.000 1.026 188 V CA -0.994 61.535 62.300 0.382 0.000 0.868 188 V CB 1.355 33.488 31.823 0.516 0.000 0.982 188 V HN 0.665 nan 8.190 nan 0.000 0.443 189 L N 4.837 126.152 121.223 0.155 0.000 2.292 189 L HA 0.478 4.833 4.340 0.025 0.000 0.284 189 L C 1.391 178.255 176.870 -0.010 0.000 1.065 189 L CA 0.272 55.119 54.840 0.012 0.000 0.806 189 L CB 0.795 42.788 42.059 -0.111 0.000 1.175 189 L HN 0.732 nan 8.230 nan 0.000 0.431 190 R N 3.014 123.441 120.500 -0.122 0.000 2.062 190 R HA -0.058 4.297 4.340 0.025 0.000 0.229 190 R C -0.298 175.650 176.300 -0.587 0.000 1.128 190 R CA 1.134 56.902 56.100 -0.554 0.000 0.960 190 R CB 0.248 30.063 30.300 -0.808 0.000 0.855 190 R HN 0.581 nan 8.270 nan 0.000 0.432 191 W N 0.379 121.718 121.300 0.066 0.000 2.606 191 W HA 0.425 5.099 4.660 0.024 0.000 0.332 191 W C -0.367 176.239 176.519 0.145 0.000 1.052 191 W CA -0.819 56.572 57.345 0.077 0.000 1.223 191 W CB 1.818 31.326 29.460 0.080 0.000 1.383 191 W HN 0.055 nan 8.180 nan 0.000 0.524 192 S N -1.055 114.902 115.700 0.428 0.000 2.672 192 S HA 0.209 4.694 4.470 0.025 0.000 0.271 192 S C 0.076 174.899 174.600 0.372 0.000 1.171 192 S CA -0.489 57.971 58.200 0.433 0.000 0.817 192 S CB 1.188 64.630 63.200 0.403 0.000 1.150 192 S HN 0.635 nan 8.310 nan 0.000 0.478 193 D N 0.279 120.923 120.400 0.407 0.000 2.309 193 D HA 0.073 4.728 4.640 0.025 0.000 0.212 193 D C 1.699 178.315 176.300 0.525 0.000 0.968 193 D CA 1.131 55.436 54.000 0.509 0.000 0.882 193 D CB -0.608 40.378 40.800 0.309 0.000 0.918 193 D HN 0.692 nan 8.370 nan 0.000 0.503 194 G N 0.064 109.082 108.800 0.363 0.000 2.443 194 G HA2 -0.220 3.755 3.960 0.025 0.000 0.219 194 G HA3 -0.220 3.755 3.960 0.025 0.000 0.219 194 G C 1.680 176.761 174.900 0.301 0.000 1.131 194 G CA 0.501 45.793 45.100 0.320 0.000 0.775 194 G HN 0.286 nan 8.290 nan 0.000 0.547 195 S N -0.040 115.814 115.700 0.256 0.000 2.440 195 S HA -0.123 4.362 4.470 0.025 0.000 0.238 195 S C 1.863 176.565 174.600 0.169 0.000 1.010 195 S CA 0.735 59.060 58.200 0.208 0.000 0.972 195 S CB -0.410 62.928 63.200 0.229 0.000 0.774 195 S HN 0.588 nan 8.310 nan 0.000 0.501 196 Y N 1.000 121.446 120.300 0.243 0.000 2.333 196 Y HA 0.040 4.605 4.550 0.024 0.000 0.290 196 Y C 1.690 177.709 175.900 0.198 0.000 1.144 196 Y CA 0.641 58.809 58.100 0.113 0.000 1.228 196 Y CB -0.114 38.279 38.460 -0.113 0.000 0.985 196 Y HN 0.198 nan 8.280 nan 0.000 0.542 197 L N -0.230 121.194 121.223 0.336 0.000 2.628 197 L HA 0.096 4.451 4.340 0.025 0.000 0.229 197 L C 0.054 177.065 176.870 0.235 0.000 1.137 197 L CA 0.473 55.463 54.840 0.249 0.000 0.909 197 L CB 0.052 42.264 42.059 0.255 0.000 1.137 197 L HN 0.188 nan 8.230 nan 0.000 0.470 198 E N -0.228 120.125 120.200 0.255 0.000 3.646 198 E HA 0.037 4.402 4.350 0.025 0.000 0.211 198 E C -0.471 176.239 176.600 0.183 0.000 1.034 198 E CA -0.075 56.459 56.400 0.223 0.000 1.341 198 E CB 0.483 30.307 29.700 0.206 0.000 1.202 198 E HN 0.025 nan 8.360 nan 0.000 0.447 199 D N 1.291 121.754 120.400 0.104 0.000 2.690 199 D HA 0.027 4.682 4.640 0.025 0.000 0.236 199 D C -0.223 176.072 176.300 -0.007 0.000 1.218 199 D CA -0.076 53.873 54.000 -0.085 0.000 0.829 199 D CB 0.087 40.565 40.800 -0.537 0.000 1.009 199 D HN 0.052 nan 8.370 nan 0.000 0.482 200 Q N 0.364 120.253 119.800 0.148 0.000 2.421 200 Q HA 0.106 4.461 4.340 0.025 0.000 0.255 200 Q C 0.063 176.186 176.000 0.205 0.000 1.013 200 Q CA 0.047 56.000 55.803 0.250 0.000 0.895 200 Q CB 0.533 29.578 28.738 0.512 0.000 1.271 200 Q HN 0.022 nan 8.270 nan 0.000 0.460 201 D N 2.761 123.302 120.400 0.235 0.000 2.540 201 D HA 0.107 4.762 4.640 0.025 0.000 0.237 201 D C -0.764 175.710 176.300 0.289 0.000 1.181 201 D CA 0.229 54.366 54.000 0.227 0.000 1.119 201 D CB -0.531 40.385 40.800 0.194 0.000 1.119 201 D HN 0.505 nan 8.370 nan 0.000 0.498 202 M N -0.253 119.495 119.600 0.247 0.000 2.949 202 M HA 0.393 4.888 4.480 0.025 0.000 0.270 202 M C -1.301 175.107 176.300 0.181 0.000 1.221 202 M CA -1.150 54.197 55.300 0.078 0.000 0.818 202 M CB 1.155 33.735 32.600 -0.033 0.000 1.635 202 M HN -0.136 nan 8.290 nan 0.000 0.492 203 W N 2.114 123.483 121.300 0.116 0.000 2.223 203 W HA 0.281 4.956 4.660 0.025 0.000 0.334 203 W C 0.277 176.820 176.519 0.042 0.000 1.334 203 W CA -0.195 57.218 57.345 0.113 0.000 1.246 203 W CB 0.393 29.858 29.460 0.008 0.000 1.184 203 W HN 0.307 nan 8.180 nan 0.000 0.563 204 R N 4.942 125.632 120.500 0.318 0.000 2.196 204 R HA 0.418 4.772 4.340 0.025 0.000 0.340 204 R C -0.130 176.178 176.300 0.013 0.000 1.043 204 R CA -0.168 56.033 56.100 0.168 0.000 0.883 204 R CB 0.194 30.664 30.300 0.283 0.000 1.078 204 R HN 0.570 nan 8.270 nan 0.000 0.462 205 M N 0.276 119.772 119.600 -0.174 0.000 2.752 205 M HA 0.507 5.001 4.480 0.025 0.000 0.285 205 M C -0.113 175.829 176.300 -0.596 0.000 1.140 205 M CA -0.798 54.279 55.300 -0.372 0.000 0.767 205 M CB 2.345 34.727 32.600 -0.363 0.000 1.736 205 M HN 0.682 nan 8.290 nan 0.000 0.452 206 S N -1.230 113.998 115.700 -0.788 0.000 2.636 206 S HA 0.942 5.427 4.470 0.025 0.000 0.268 206 S C -0.621 173.522 174.600 -0.762 0.000 1.159 206 S CA -0.185 57.482 58.200 -0.887 0.000 0.815 206 S CB 1.724 64.180 63.200 -1.239 0.000 1.130 206 S HN 1.480 nan 8.310 nan 0.000 0.471 207 G N -0.142 108.439 108.800 -0.364 0.000 2.353 207 G HA2 0.182 4.157 3.960 0.025 0.000 0.615 207 G HA3 0.182 4.157 3.960 0.025 0.000 0.615 207 G C -1.357 173.576 174.900 0.055 0.000 1.280 207 G CA -0.588 44.589 45.100 0.128 0.000 1.000 207 G HN 1.218 nan 8.290 nan 0.000 0.516 208 I N 2.011 122.466 120.570 -0.192 0.000 2.257 208 I HA 0.265 4.450 4.170 0.025 0.000 0.290 208 I C 1.166 177.159 176.117 -0.208 0.000 1.137 208 I CA -0.241 60.833 61.300 -0.376 0.000 1.255 208 I CB -0.326 37.166 38.000 -0.847 0.000 1.485 208 I HN 0.505 nan 8.210 nan 0.000 0.534 209 F N 3.074 122.875 119.950 -0.248 0.000 2.727 209 F HA 0.441 4.982 4.527 0.024 0.000 0.302 209 F C 0.741 176.461 175.800 -0.132 0.000 1.097 209 F CA -0.543 57.345 58.000 -0.187 0.000 1.330 209 F CB 0.084 38.981 39.000 -0.171 0.000 1.084 209 F HN 0.116 nan 8.300 nan 0.000 0.578 210 R N 0.603 120.670 120.500 -0.721 0.000 2.912 210 R HA 0.240 4.594 4.340 0.025 0.000 0.262 210 R C -0.642 175.447 176.300 -0.352 0.000 1.057 210 R CA -1.130 54.652 56.100 -0.531 0.000 0.981 210 R CB 0.862 30.770 30.300 -0.652 0.000 1.201 210 R HN 0.005 nan 8.270 nan 0.000 0.484 211 D N 0.793 121.036 120.400 -0.262 0.000 2.419 211 D HA 0.105 4.760 4.640 0.025 0.000 0.236 211 D C -0.383 175.770 176.300 -0.244 0.000 1.165 211 D CA 0.375 54.255 54.000 -0.201 0.000 0.882 211 D CB 0.767 41.486 40.800 -0.134 0.000 1.201 211 D HN -0.013 nan 8.370 nan 0.000 0.443 212 V N 0.893 120.668 119.914 -0.231 0.000 2.604 212 V HA 0.561 4.696 4.120 0.025 0.000 0.305 212 V C -0.014 175.951 176.094 -0.215 0.000 1.043 212 V CA -0.561 61.539 62.300 -0.334 0.000 0.888 212 V CB 1.766 33.368 31.823 -0.368 0.000 0.995 212 V HN 0.753 nan 8.190 nan 0.000 0.429 213 S N 4.264 119.814 115.700 -0.251 0.000 2.671 213 S HA 0.877 5.361 4.470 0.025 0.000 0.277 213 S C -1.491 173.042 174.600 -0.112 0.000 1.165 213 S CA -0.842 57.279 58.200 -0.133 0.000 0.822 213 S CB 2.109 65.274 63.200 -0.059 0.000 1.150 213 S HN 0.386 nan 8.310 nan 0.000 0.479 214 L N 1.346 122.568 121.223 -0.002 0.000 2.385 214 L HA 0.764 5.119 4.340 0.025 0.000 0.273 214 L C -1.525 175.526 176.870 0.302 0.000 0.990 214 L CA -0.612 54.304 54.840 0.126 0.000 0.821 214 L CB 1.627 43.736 42.059 0.083 0.000 1.279 214 L HN 0.786 nan 8.230 nan 0.000 0.412 215 L N 3.994 125.393 121.223 0.294 0.000 2.385 215 L HA 0.504 4.859 4.340 0.025 0.000 0.273 215 L C -1.115 175.826 176.870 0.118 0.000 0.990 215 L CA -0.207 54.751 54.840 0.197 0.000 0.821 215 L CB 1.447 43.568 42.059 0.103 0.000 1.279 215 L HN 0.619 nan 8.230 nan 0.000 0.412 216 H N 5.172 124.069 119.070 -0.289 0.000 2.476 216 H HA 0.497 5.068 4.556 0.025 0.000 0.328 216 H C -1.234 173.900 175.328 -0.322 0.000 1.073 216 H CA -0.615 55.146 56.048 -0.477 0.000 1.229 216 H CB 1.222 30.221 29.762 -1.271 0.000 1.432 216 H HN 0.527 nan 8.280 nan 0.000 0.477 217 K N 5.257 125.311 120.400 -0.577 0.000 2.328 217 K HA 0.383 4.717 4.320 0.025 0.000 0.246 217 K C -2.713 173.630 176.600 -0.428 0.000 0.955 217 K CA -2.055 54.016 56.287 -0.359 0.000 0.817 217 K CB 2.084 34.439 32.500 -0.243 0.000 1.208 217 K HN 0.480 nan 8.250 nan 0.000 0.432 218 P HA 0.151 nan 4.420 nan 0.000 0.274 218 P C 0.513 177.733 177.300 -0.134 0.000 1.246 218 P CA -0.167 62.858 63.100 -0.124 0.000 0.795 218 P CB 0.449 32.121 31.700 -0.045 0.000 1.006 219 T N -1.010 113.490 114.554 -0.089 0.000 2.788 219 T HA -0.045 4.319 4.350 0.025 0.000 0.268 219 T C 0.554 175.213 174.700 -0.069 0.000 1.044 219 T CA 1.608 63.665 62.100 -0.072 0.000 1.139 219 T CB -0.583 68.261 68.868 -0.040 0.000 0.867 219 T HN 0.455 nan 8.240 nan 0.000 0.454 220 T N 3.594 118.114 114.554 -0.058 0.000 2.749 220 T HA 0.519 4.883 4.350 0.025 0.000 0.287 220 T C -0.273 174.384 174.700 -0.072 0.000 0.970 220 T CA -0.731 61.328 62.100 -0.068 0.000 0.980 220 T CB 1.012 69.853 68.868 -0.045 0.000 0.924 220 T HN 0.477 nan 8.240 nan 0.000 0.456 221 Q N 1.983 121.727 119.800 -0.094 0.000 2.590 221 Q HA 0.569 4.924 4.340 0.025 0.000 0.295 221 Q C -1.385 174.557 176.000 -0.096 0.000 0.973 221 Q CA -1.182 54.557 55.803 -0.106 0.000 0.768 221 Q CB 1.124 29.774 28.738 -0.147 0.000 1.479 221 Q HN 0.486 nan 8.270 nan 0.000 0.419 222 I N 2.702 123.187 120.570 -0.142 0.000 2.406 222 I HA 0.026 4.211 4.170 0.025 0.000 0.293 222 I C 0.876 176.888 176.117 -0.175 0.000 1.101 222 I CA 0.082 61.305 61.300 -0.128 0.000 1.334 222 I CB 0.860 38.736 38.000 -0.207 0.000 1.421 222 I HN 0.835 nan 8.210 nan 0.000 0.513 223 S N 2.648 118.368 115.700 0.033 0.000 2.503 223 S HA 0.183 4.668 4.470 0.025 0.000 0.215 223 S C 0.271 175.097 174.600 0.376 0.000 1.003 223 S CA -0.180 58.113 58.200 0.156 0.000 0.910 223 S CB 0.246 63.488 63.200 0.071 0.000 0.790 223 S HN 0.703 nan 8.310 nan 0.000 0.514 224 D N -0.419 120.201 120.400 0.367 0.000 2.783 224 D HA 0.457 5.112 4.640 0.025 0.000 0.253 224 D C -1.970 174.532 176.300 0.336 0.000 1.206 224 D CA -0.672 53.558 54.000 0.383 0.000 0.740 224 D CB 1.356 42.260 40.800 0.173 0.000 1.313 224 D HN 0.227 nan 8.370 nan 0.000 0.427 225 F N -0.458 119.553 119.950 0.101 0.000 2.635 225 F HA 0.598 5.140 4.527 0.025 0.000 0.314 225 F C -1.607 174.264 175.800 0.118 0.000 1.119 225 F CA -0.787 57.204 58.000 -0.016 0.000 1.000 225 F CB 1.132 40.161 39.000 0.048 0.000 1.278 225 F HN 0.234 nan 8.300 nan 0.000 0.446 226 H N 2.380 121.488 119.070 0.063 0.000 2.547 226 H HA 0.734 5.305 4.556 0.025 0.000 0.342 226 H C -1.218 174.133 175.328 0.038 0.000 1.048 226 H CA -1.529 54.501 56.048 -0.031 0.000 1.204 226 H CB 2.524 32.261 29.762 -0.041 0.000 1.493 226 H HN 0.606 nan 8.280 nan 0.000 0.511 227 V N 2.286 122.278 119.914 0.129 0.000 2.459 227 V HA 0.708 4.843 4.120 0.025 0.000 0.295 227 V C -0.104 175.980 176.094 -0.017 0.000 1.029 227 V CA -0.582 61.754 62.300 0.059 0.000 0.874 227 V CB 1.230 33.083 31.823 0.050 0.000 0.985 227 V HN 0.949 nan 8.190 nan 0.000 0.438 228 A N 3.269 126.057 122.820 -0.054 0.000 2.475 228 A HA 0.960 5.294 4.320 0.025 0.000 0.301 228 A C -0.250 177.230 177.584 -0.173 0.000 1.059 228 A CA -0.517 51.468 52.037 -0.087 0.000 0.710 228 A CB 2.159 21.131 19.000 -0.047 0.000 1.288 228 A HN 0.939 nan 8.150 nan 0.000 0.408 229 T N -0.493 113.936 114.554 -0.209 0.000 2.879 229 T HA 0.710 5.075 4.350 0.025 0.000 0.290 229 T C -0.532 173.956 174.700 -0.353 0.000 0.993 229 T CA -0.805 61.069 62.100 -0.377 0.000 0.975 229 T CB 1.166 69.682 68.868 -0.586 0.000 0.981 229 T HN 1.058 nan 8.240 nan 0.000 0.439 230 R N 2.189 122.396 120.500 -0.488 0.000 2.740 230 R HA 0.794 5.148 4.340 0.025 0.000 0.282 230 R C -1.772 174.144 176.300 -0.640 0.000 0.969 230 R CA -0.879 55.008 56.100 -0.354 0.000 0.918 230 R CB 1.301 31.524 30.300 -0.128 0.000 1.175 230 R HN 0.504 nan 8.270 nan 0.000 0.464 231 F N 0.857 120.782 119.950 -0.041 0.000 2.598 231 F HA 0.358 4.898 4.527 0.023 0.000 0.327 231 F C 0.329 175.987 175.800 -0.238 0.000 1.057 231 F CA -0.974 56.940 58.000 -0.144 0.000 0.957 231 F CB 1.494 40.299 39.000 -0.324 0.000 1.278 231 F HN 0.690 nan 8.300 nan 0.000 0.484 232 N N 0.010 118.676 118.700 -0.057 0.000 2.379 232 N HA 0.052 4.807 4.740 0.025 0.000 0.260 232 N C 0.440 175.798 175.510 -0.254 0.000 1.254 232 N CA -0.218 52.767 53.050 -0.109 0.000 0.958 232 N CB 0.218 38.673 38.487 -0.053 0.000 1.208 232 N HN 0.682 nan 8.380 nan 0.000 0.532 233 D N -1.002 119.307 120.400 -0.152 0.000 2.190 233 D HA -0.254 4.401 4.640 0.025 0.000 0.200 233 D C 0.298 176.514 176.300 -0.140 0.000 0.992 233 D CA 1.677 55.594 54.000 -0.139 0.000 0.854 233 D CB -0.463 40.314 40.800 -0.039 0.000 0.936 233 D HN 0.742 nan 8.370 nan 0.000 0.462 234 D N -1.791 118.563 120.400 -0.077 0.000 2.440 234 D HA 0.027 4.681 4.640 0.025 0.000 0.216 234 D C 0.128 176.567 176.300 0.231 0.000 1.150 234 D CA -0.863 53.202 54.000 0.108 0.000 0.832 234 D CB -0.934 39.940 40.800 0.124 0.000 0.992 234 D HN 0.221 nan 8.370 nan 0.000 0.502 235 F N 0.434 120.451 119.950 0.112 0.000 2.988 235 F HA -0.276 4.264 4.527 0.022 0.000 0.287 235 F C 1.577 177.462 175.800 0.142 0.000 0.781 235 F CA 0.754 58.836 58.000 0.136 0.000 1.221 235 F CB -2.599 36.362 39.000 -0.064 0.000 1.392 235 F HN 0.203 nan 8.300 nan 0.000 0.425 236 S N -0.685 115.122 115.700 0.178 0.000 2.548 236 S HA 0.311 4.795 4.470 0.025 0.000 0.215 236 S C 0.565 175.220 174.600 0.092 0.000 0.976 236 S CA -0.033 58.244 58.200 0.127 0.000 0.908 236 S CB 0.340 63.591 63.200 0.085 0.000 0.781 236 S HN 0.495 nan 8.310 nan 0.000 0.519 237 R N 0.194 120.754 120.500 0.101 0.000 2.651 237 R HA 0.830 5.185 4.340 0.025 0.000 0.278 237 R C -1.327 174.996 176.300 0.039 0.000 1.010 237 R CA -0.619 55.505 56.100 0.040 0.000 0.896 237 R CB 1.910 32.209 30.300 -0.002 0.000 1.211 237 R HN 0.173 nan 8.270 nan 0.000 0.456 238 A N 1.524 124.305 122.820 -0.065 0.000 2.515 238 A HA 0.764 5.099 4.320 0.025 0.000 0.296 238 A C -1.291 176.201 177.584 -0.154 0.000 1.094 238 A CA -0.801 51.099 52.037 -0.230 0.000 0.718 238 A CB 2.266 21.146 19.000 -0.201 0.000 1.307 238 A HN 0.342 nan 8.150 nan 0.000 0.408 239 V N 1.683 121.477 119.914 -0.201 0.000 2.443 239 V HA 0.403 4.538 4.120 0.025 0.000 0.293 239 V C -0.599 175.417 176.094 -0.129 0.000 1.021 239 V CA -0.326 61.900 62.300 -0.124 0.000 0.848 239 V CB 1.345 33.100 31.823 -0.113 0.000 0.998 239 V HN 0.808 nan 8.190 nan 0.000 0.424 240 L N 4.761 125.949 121.223 -0.059 0.000 2.276 240 L HA 0.626 4.981 4.340 0.025 0.000 0.286 240 L C -0.011 176.815 176.870 -0.073 0.000 1.061 240 L CA 0.020 54.805 54.840 -0.091 0.000 0.807 240 L CB 1.148 43.187 42.059 -0.034 0.000 1.177 240 L HN 0.789 nan 8.230 nan 0.000 0.429 241 E N 4.460 124.612 120.200 -0.079 0.000 2.155 241 E HA 0.626 4.991 4.350 0.025 0.000 0.264 241 E C -1.347 175.242 176.600 -0.017 0.000 0.886 241 E CA -0.674 55.698 56.400 -0.046 0.000 0.752 241 E CB 1.622 31.294 29.700 -0.046 0.000 1.133 241 E HN 0.714 nan 8.360 nan 0.000 0.414 242 A N 4.814 127.632 122.820 -0.004 0.000 2.285 242 A HA 0.289 4.624 4.320 0.025 0.000 0.310 242 A C -0.561 177.032 177.584 0.014 0.000 1.266 242 A CA -0.673 51.386 52.037 0.035 0.000 0.832 242 A CB 0.857 19.887 19.000 0.049 0.000 1.163 242 A HN 0.739 nan 8.150 nan 0.000 0.499 243 E N 2.710 122.921 120.200 0.019 0.000 2.229 243 E HA 0.505 4.870 4.350 0.025 0.000 0.283 243 E C -1.256 175.309 176.600 -0.059 0.000 1.030 243 E CA -0.271 56.102 56.400 -0.045 0.000 0.836 243 E CB 0.955 30.609 29.700 -0.076 0.000 1.068 243 E HN 0.371 nan 8.360 nan 0.000 0.401 244 V N 4.806 124.698 119.914 -0.036 0.000 2.656 244 V HA 0.297 4.432 4.120 0.025 0.000 0.307 244 V C -0.479 175.681 176.094 0.109 0.000 1.051 244 V CA -0.862 61.458 62.300 0.034 0.000 0.893 244 V CB 1.738 33.558 31.823 -0.005 0.000 0.999 244 V HN 0.731 nan 8.190 nan 0.000 0.426 245 Q N 4.229 124.106 119.800 0.128 0.000 2.345 245 Q HA 0.855 5.209 4.340 0.025 0.000 0.268 245 Q C -0.902 175.184 176.000 0.143 0.000 1.054 245 Q CA -0.906 54.982 55.803 0.142 0.000 0.835 245 Q CB 2.822 31.573 28.738 0.022 0.000 1.339 245 Q HN 0.827 nan 8.270 nan 0.000 0.447 246 M N -0.983 118.622 119.600 0.008 0.000 2.727 246 M HA 0.777 5.272 4.480 0.025 0.000 0.300 246 M C -1.322 174.887 176.300 -0.151 0.000 1.246 246 M CA -0.486 54.740 55.300 -0.124 0.000 0.835 246 M CB 1.680 34.054 32.600 -0.376 0.000 1.755 246 M HN 0.543 nan 8.290 nan 0.000 0.473 247 C N 0.460 119.681 119.300 -0.132 0.000 2.779 247 C HA 1.033 5.508 4.460 0.025 0.000 0.314 247 C C 0.606 175.517 174.990 -0.131 0.000 1.231 247 C CA 0.580 59.533 59.018 -0.108 0.000 1.652 247 C CB 1.125 28.832 27.740 -0.054 0.000 2.198 247 C HN 1.421 nan 8.230 nan 0.000 0.483 248 G N 1.466 110.200 108.800 -0.110 0.000 2.483 248 G HA2 0.002 3.977 3.960 0.025 0.000 0.521 248 G HA3 0.002 3.977 3.960 0.025 0.000 0.521 248 G C -0.938 173.889 174.900 -0.121 0.000 1.278 248 G CA -0.420 44.620 45.100 -0.100 0.000 0.965 248 G HN 0.921 nan 8.290 nan 0.000 0.504 249 E N 0.238 120.377 120.200 -0.102 0.000 2.180 249 E HA 0.375 4.740 4.350 0.025 0.000 0.283 249 E C 0.465 176.967 176.600 -0.164 0.000 1.061 249 E CA -0.474 55.859 56.400 -0.110 0.000 0.861 249 E CB 0.328 29.989 29.700 -0.066 0.000 1.056 249 E HN 0.458 nan 8.360 nan 0.000 0.407 250 L N 5.235 126.347 121.223 -0.186 0.000 2.499 250 L HA 0.131 4.485 4.340 0.025 0.000 0.273 250 L C 0.517 177.252 176.870 -0.225 0.000 1.195 250 L CA 0.371 55.074 54.840 -0.228 0.000 0.882 250 L CB 0.185 42.134 42.059 -0.184 0.000 1.133 250 L HN 0.403 nan 8.230 nan 0.000 0.483 251 R N 1.889 122.201 120.500 -0.313 0.000 2.651 251 R HA 0.185 4.540 4.340 0.025 0.000 0.278 251 R C -0.191 175.841 176.300 -0.447 0.000 1.010 251 R CA -0.840 54.982 56.100 -0.463 0.000 0.896 251 R CB 1.436 31.211 30.300 -0.875 0.000 1.211 251 R HN 0.482 nan 8.270 nan 0.000 0.456 252 D N 0.909 121.131 120.400 -0.297 0.000 2.182 252 D HA -0.172 4.483 4.640 0.025 0.000 0.201 252 D C 1.578 177.818 176.300 -0.100 0.000 0.986 252 D CA 1.704 55.622 54.000 -0.137 0.000 0.847 252 D CB -0.023 40.754 40.800 -0.038 0.000 0.942 252 D HN 0.608 nan 8.370 nan 0.000 0.467 253 Y N -0.212 120.101 120.300 0.023 0.000 2.561 253 Y HA 0.236 4.801 4.550 0.025 0.000 0.291 253 Y C 0.634 176.543 175.900 0.015 0.000 1.141 253 Y CA -0.406 57.706 58.100 0.020 0.000 1.303 253 Y CB -0.999 37.473 38.460 0.021 0.000 1.015 253 Y HN -0.174 nan 8.280 nan 0.000 0.547 254 L N 2.788 123.943 121.223 -0.112 0.000 2.485 254 L HA 0.197 4.552 4.340 0.025 0.000 0.275 254 L C 0.266 177.130 176.870 -0.010 0.000 1.207 254 L CA 0.238 55.101 54.840 0.038 0.000 0.855 254 L CB 0.331 42.428 42.059 0.063 0.000 1.114 254 L HN 0.196 nan 8.230 nan 0.000 0.485 255 R N 1.974 122.352 120.500 -0.203 0.000 2.774 255 R HA 0.651 5.006 4.340 0.025 0.000 0.272 255 R C -1.483 174.461 176.300 -0.595 0.000 1.000 255 R CA -0.832 55.014 56.100 -0.423 0.000 0.906 255 R CB 2.168 32.118 30.300 -0.583 0.000 1.227 255 R HN 0.253 nan 8.270 nan 0.000 0.468 256 V N 1.189 120.804 119.914 -0.497 0.000 2.487 256 V HA 0.413 4.548 4.120 0.025 0.000 0.298 256 V C -0.281 175.731 176.094 -0.137 0.000 1.028 256 V CA -0.499 61.589 62.300 -0.354 0.000 0.860 256 V CB 2.130 33.683 31.823 -0.450 0.000 0.991 256 V HN 0.681 nan 8.190 nan 0.000 0.427 257 T N 4.640 119.224 114.554 0.050 0.000 2.770 257 T HA 0.533 4.898 4.350 0.025 0.000 0.283 257 T C -0.440 174.268 174.700 0.013 0.000 0.988 257 T CA -0.276 61.883 62.100 0.098 0.000 0.957 257 T CB 1.394 70.376 68.868 0.191 0.000 0.930 257 T HN 0.328 nan 8.240 nan 0.000 0.443 258 V N 4.508 124.410 119.914 -0.020 0.000 2.384 258 V HA 0.576 4.710 4.120 0.025 0.000 0.287 258 V C 0.111 176.199 176.094 -0.010 0.000 1.020 258 V CA -0.722 61.564 62.300 -0.023 0.000 0.850 258 V CB 1.456 33.257 31.823 -0.036 0.000 0.987 258 V HN 1.040 nan 8.190 nan 0.000 0.436 259 S N 5.475 121.191 115.700 0.027 0.000 2.532 259 S HA 0.880 5.365 4.470 0.025 0.000 0.301 259 S C -1.006 173.610 174.600 0.027 0.000 1.083 259 S CA -0.814 57.376 58.200 -0.017 0.000 1.025 259 S CB 2.313 65.501 63.200 -0.019 0.000 1.056 259 S HN 0.492 nan 8.310 nan 0.000 0.494 260 L N 1.842 122.978 121.223 -0.144 0.000 2.362 260 L HA 0.789 5.144 4.340 0.025 0.000 0.275 260 L C -2.054 174.737 176.870 -0.132 0.000 0.998 260 L CA -0.267 54.590 54.840 0.028 0.000 0.820 260 L CB 1.152 43.255 42.059 0.073 0.000 1.270 260 L HN 0.910 nan 8.230 nan 0.000 0.415 261 W N 3.724 125.134 121.300 0.182 0.000 2.915 261 W HA 0.554 5.228 4.660 0.024 0.000 0.337 261 W C -0.694 175.920 176.519 0.158 0.000 1.102 261 W CA -0.478 56.949 57.345 0.135 0.000 1.224 261 W CB 1.531 31.024 29.460 0.055 0.000 1.416 261 W HN 0.347 nan 8.180 nan 0.000 0.503 262 Q N 2.726 122.697 119.800 0.286 0.000 2.381 262 Q HA 0.471 4.825 4.340 0.025 0.000 0.263 262 Q C 0.683 176.716 176.000 0.054 0.000 1.030 262 Q CA 0.647 56.431 55.803 -0.031 0.000 0.772 262 Q CB 1.016 29.630 28.738 -0.207 0.000 1.232 262 Q HN 0.830 nan 8.270 nan 0.000 0.476 263 G N 4.509 113.332 108.800 0.039 0.000 2.596 263 G HA2 -0.343 3.632 3.960 0.025 0.000 0.304 263 G HA3 -0.343 3.632 3.960 0.025 0.000 0.304 263 G C 0.465 175.430 174.900 0.108 0.000 1.189 263 G CA 0.419 45.542 45.100 0.039 0.000 0.986 263 G HN 0.675 nan 8.290 nan 0.000 0.548 264 E N 1.294 121.555 120.200 0.102 0.000 2.489 264 E HA 0.129 4.494 4.350 0.025 0.000 0.193 264 E C 0.479 177.275 176.600 0.326 0.000 1.057 264 E CA 0.721 57.208 56.400 0.145 0.000 0.866 264 E CB 0.136 29.873 29.700 0.060 0.000 0.916 264 E HN 0.397 nan 8.360 nan 0.000 0.500 265 T N 1.215 115.944 114.554 0.293 0.000 2.795 265 T HA 0.153 4.517 4.350 0.025 0.000 0.282 265 T C -0.060 174.719 174.700 0.132 0.000 0.980 265 T CA -0.388 61.837 62.100 0.208 0.000 1.012 265 T CB 1.990 70.911 68.868 0.088 0.000 0.936 265 T HN -0.030 nan 8.240 nan 0.000 0.457 266 Q N 2.773 122.425 119.800 -0.245 0.000 2.295 266 Q HA 0.259 4.614 4.340 0.025 0.000 0.259 266 Q C 0.357 176.137 176.000 -0.367 0.000 0.976 266 Q CA -0.276 55.042 55.803 -0.808 0.000 0.923 266 Q CB 0.814 28.893 28.738 -1.098 0.000 1.185 266 Q HN 0.548 nan 8.270 nan 0.000 0.410 267 V N 2.758 122.510 119.914 -0.270 0.000 2.685 267 V HA 0.263 4.398 4.120 0.025 0.000 0.244 267 V C 0.296 176.298 176.094 -0.154 0.000 1.054 267 V CA 1.264 63.492 62.300 -0.120 0.000 1.076 267 V CB 0.427 32.250 31.823 0.000 0.000 0.725 267 V HN 0.817 nan 8.190 nan 0.000 0.467 268 A N -1.265 121.427 122.820 -0.213 0.000 2.566 268 A HA 0.760 5.095 4.320 0.025 0.000 0.290 268 A C -0.828 176.640 177.584 -0.192 0.000 1.071 268 A CA 0.193 52.128 52.037 -0.171 0.000 0.658 268 A CB 1.630 20.564 19.000 -0.110 0.000 1.285 268 A HN 0.131 nan 8.150 nan 0.000 0.427 269 S N -1.173 114.446 115.700 -0.136 0.000 2.543 269 S HA 0.756 5.241 4.470 0.025 0.000 0.274 269 S C -0.615 173.941 174.600 -0.072 0.000 1.149 269 S CA 0.300 58.434 58.200 -0.111 0.000 0.866 269 S CB 1.478 64.599 63.200 -0.131 0.000 1.111 269 S HN 2.426 nan 8.310 nan 0.000 0.457 270 G N 1.637 110.405 108.800 -0.053 0.000 2.706 270 G HA2 0.670 4.645 3.960 0.025 0.000 0.297 270 G HA3 0.670 4.645 3.960 0.025 0.000 0.297 270 G C -1.353 173.528 174.900 -0.032 0.000 1.403 270 G CA -0.450 44.623 45.100 -0.044 0.000 0.954 270 G HN 0.744 nan 8.290 nan 0.000 0.500 271 T N -0.264 114.274 114.554 -0.028 0.000 2.900 271 T HA 0.862 5.227 4.350 0.025 0.000 0.295 271 T C -0.373 174.293 174.700 -0.058 0.000 1.044 271 T CA -0.090 61.998 62.100 -0.020 0.000 0.995 271 T CB 1.881 70.774 68.868 0.041 0.000 1.072 271 T HN 1.593 nan 8.240 nan 0.000 0.473 272 A N 3.138 125.891 122.820 -0.111 0.000 2.605 272 A HA 0.872 5.207 4.320 0.025 0.000 0.294 272 A C -3.141 174.312 177.584 -0.220 0.000 1.062 272 A CA -1.526 50.428 52.037 -0.137 0.000 0.682 272 A CB 1.373 20.291 19.000 -0.136 0.000 1.278 272 A HN 0.531 nan 8.150 nan 0.000 0.410 273 P HA 0.538 nan 4.420 nan 0.000 0.278 273 P C -0.555 176.638 177.300 -0.179 0.000 1.258 273 P CA -0.305 62.711 63.100 -0.140 0.000 0.811 273 P CB 0.474 32.150 31.700 -0.040 0.000 1.063 274 F N 0.117 120.024 119.950 -0.072 0.000 2.444 274 F HA 0.454 4.995 4.527 0.024 0.000 0.331 274 F C 1.462 177.240 175.800 -0.036 0.000 1.167 274 F CA 1.615 59.583 58.000 -0.054 0.000 1.262 274 F CB 0.313 39.274 39.000 -0.064 0.000 1.196 274 F HN 0.592 nan 8.300 nan 0.000 0.583 275 G N 1.527 110.462 108.800 0.224 0.000 2.951 275 G HA2 0.360 4.335 3.960 0.025 0.000 0.508 275 G HA3 0.360 4.335 3.960 0.025 0.000 0.508 275 G C -0.660 174.293 174.900 0.090 0.000 1.203 275 G CA -0.717 44.460 45.100 0.129 0.000 1.209 275 G HN 1.029 nan 8.290 nan 0.000 0.552 276 G N 0.771 109.642 108.800 0.119 0.000 2.502 276 G HA2 0.766 4.741 3.960 0.025 0.000 0.305 276 G HA3 0.766 4.741 3.960 0.025 0.000 0.305 276 G C 0.430 175.374 174.900 0.072 0.000 1.190 276 G CA -0.049 45.108 45.100 0.095 0.000 0.933 276 G HN 1.099 nan 8.290 nan 0.000 0.503 277 E N -0.353 119.881 120.200 0.057 0.000 2.438 277 E HA -0.008 4.357 4.350 0.025 0.000 0.261 277 E C -0.296 176.331 176.600 0.045 0.000 1.103 277 E CA -0.559 55.864 56.400 0.040 0.000 0.959 277 E CB 0.466 30.186 29.700 0.032 0.000 0.958 277 E HN 0.061 nan 8.360 nan 0.000 0.447 278 I N 2.292 122.876 120.570 0.023 0.000 2.752 278 I HA -0.162 4.022 4.170 0.025 0.000 0.289 278 I C 1.214 177.344 176.117 0.022 0.000 1.197 278 I CA 0.060 61.366 61.300 0.011 0.000 1.432 278 I CB -0.143 37.859 38.000 0.003 0.000 1.359 278 I HN 0.665 nan 8.210 nan 0.000 0.571 279 I N 3.991 124.570 120.570 0.014 0.000 3.300 279 I HA 0.062 4.247 4.170 0.025 0.000 0.279 279 I C 0.616 176.739 176.117 0.010 0.000 1.172 279 I CA 0.833 62.153 61.300 0.034 0.000 1.431 279 I CB -0.435 37.591 38.000 0.044 0.000 1.240 279 I HN 0.661 nan 8.210 nan 0.000 0.453 280 D N -1.314 119.077 120.400 -0.016 0.000 3.057 280 D HA 0.124 4.779 4.640 0.025 0.000 0.328 280 D C 0.474 176.760 176.300 -0.023 0.000 1.317 280 D CA -0.406 53.585 54.000 -0.015 0.000 0.973 280 D CB 0.568 41.359 40.800 -0.015 0.000 1.424 280 D HN -0.265 nan 8.370 nan 0.000 0.569 281 E N -1.013 119.175 120.200 -0.020 0.000 2.209 281 E HA -0.068 4.297 4.350 0.025 0.000 0.196 281 E C 1.463 178.045 176.600 -0.029 0.000 0.993 281 E CA 1.053 57.441 56.400 -0.020 0.000 0.819 281 E CB -0.015 29.676 29.700 -0.015 0.000 0.745 281 E HN 0.194 nan 8.360 nan 0.000 0.477 282 R N -0.417 120.057 120.500 -0.043 0.000 2.310 282 R HA 0.255 4.610 4.340 0.025 0.000 0.202 282 R C 0.836 177.095 176.300 -0.068 0.000 0.933 282 R CA 0.760 56.827 56.100 -0.055 0.000 1.054 282 R CB 0.477 30.737 30.300 -0.067 0.000 0.985 282 R HN 0.233 nan 8.270 nan 0.000 0.489 283 G N -0.918 107.843 108.800 -0.064 0.000 2.358 283 G HA2 -0.078 3.897 3.960 0.025 0.000 0.198 283 G HA3 -0.078 3.897 3.960 0.025 0.000 0.198 283 G C -0.281 174.569 174.900 -0.083 0.000 1.220 283 G CA -0.601 44.460 45.100 -0.064 0.000 1.187 283 G HN 0.462 nan 8.290 nan 0.000 0.544 284 G N -1.927 106.819 108.800 -0.091 0.000 3.105 284 G HA2 0.639 4.614 3.960 0.025 0.000 0.277 284 G HA3 0.639 4.614 3.960 0.025 0.000 0.277 284 G C -1.532 173.267 174.900 -0.169 0.000 1.375 284 G CA -0.731 44.321 45.100 -0.080 0.000 0.962 284 G HN 0.756 nan 8.290 nan 0.000 0.541 285 Y N 1.141 121.452 120.300 0.019 0.000 2.556 285 Y HA 0.406 4.970 4.550 0.024 0.000 0.352 285 Y C 1.500 177.421 175.900 0.036 0.000 1.006 285 Y CA 0.171 58.286 58.100 0.024 0.000 1.277 285 Y CB 1.465 39.945 38.460 0.033 0.000 1.136 285 Y HN 0.544 nan 8.280 nan 0.000 0.523 286 A N 1.700 124.574 122.820 0.091 0.000 2.121 286 A HA -0.145 4.190 4.320 0.025 0.000 0.218 286 A C 1.345 178.983 177.584 0.090 0.000 1.154 286 A CA 1.381 53.462 52.037 0.073 0.000 0.679 286 A CB -0.273 18.731 19.000 0.006 0.000 0.795 286 A HN 0.770 nan 8.150 nan 0.000 0.458 287 D N -0.718 119.732 120.400 0.084 0.000 2.358 287 D HA 0.138 4.793 4.640 0.025 0.000 0.224 287 D C 0.477 176.868 176.300 0.153 0.000 1.123 287 D CA -0.051 53.920 54.000 -0.049 0.000 0.833 287 D CB -0.046 40.714 40.800 -0.067 0.000 0.946 287 D HN 0.411 nan 8.370 nan 0.000 0.505 288 R N -0.822 119.889 120.500 0.352 0.000 2.867 288 R HA 0.783 5.137 4.340 0.025 0.000 0.268 288 R C -1.496 174.973 176.300 0.282 0.000 1.014 288 R CA -1.179 55.130 56.100 0.348 0.000 0.946 288 R CB 2.994 33.373 30.300 0.131 0.000 1.208 288 R HN -0.037 nan 8.270 nan 0.000 0.477 289 V N 0.292 120.250 119.914 0.072 0.000 3.077 289 V HA 0.466 4.601 4.120 0.025 0.000 0.299 289 V C -1.573 174.470 176.094 -0.085 0.000 1.276 289 V CA -0.311 61.936 62.300 -0.088 0.000 0.993 289 V CB 2.807 34.443 31.823 -0.313 0.000 1.076 289 V HN 0.830 nan 8.190 nan 0.000 0.434 290 T N 7.058 121.571 114.554 -0.068 0.000 2.847 290 T HA 0.552 4.916 4.350 0.025 0.000 0.291 290 T C -0.912 173.751 174.700 -0.062 0.000 0.998 290 T CA -0.395 61.673 62.100 -0.053 0.000 0.967 290 T CB 1.010 69.861 68.868 -0.028 0.000 0.954 290 T HN 0.408 nan 8.240 nan 0.000 0.441 291 L N 3.566 124.750 121.223 -0.064 0.000 2.357 291 L HA 0.587 4.942 4.340 0.025 0.000 0.273 291 L C 0.549 177.391 176.870 -0.046 0.000 1.080 291 L CA -0.377 54.426 54.840 -0.061 0.000 0.803 291 L CB 1.075 43.095 42.059 -0.065 0.000 1.174 291 L HN 0.531 nan 8.230 nan 0.000 0.443 292 R N 4.175 124.648 120.500 -0.045 0.000 2.476 292 R HA 0.672 5.027 4.340 0.025 0.000 0.305 292 R C -1.261 175.012 176.300 -0.045 0.000 0.965 292 R CA -0.745 55.329 56.100 -0.044 0.000 0.867 292 R CB 2.071 32.345 30.300 -0.043 0.000 1.176 292 R HN 0.470 nan 8.270 nan 0.000 0.447 293 L N 2.729 123.926 121.223 -0.043 0.000 2.356 293 L HA 0.444 4.799 4.340 0.025 0.000 0.277 293 L C -0.470 176.373 176.870 -0.044 0.000 0.996 293 L CA -1.114 53.700 54.840 -0.043 0.000 0.822 293 L CB 1.942 43.979 42.059 -0.036 0.000 1.256 293 L HN 0.479 nan 8.230 nan 0.000 0.413 294 N N 1.641 120.308 118.700 -0.054 0.000 2.520 294 N HA 0.456 5.210 4.740 0.025 0.000 0.273 294 N C -0.992 174.470 175.510 -0.080 0.000 1.155 294 N CA -0.268 52.745 53.050 -0.063 0.000 0.967 294 N CB 1.668 40.121 38.487 -0.058 0.000 1.092 294 N HN 0.220 nan 8.380 nan 0.000 0.457 295 V N 1.606 121.458 119.914 -0.103 0.000 2.525 295 V HA 0.252 4.387 4.120 0.025 0.000 0.299 295 V C -0.452 175.557 176.094 -0.143 0.000 1.034 295 V CA -0.867 61.333 62.300 -0.167 0.000 0.863 295 V CB 1.556 33.185 31.823 -0.324 0.000 0.999 295 V HN 0.560 nan 8.190 nan 0.000 0.423 296 E N 2.880 123.019 120.200 -0.103 0.000 2.283 296 E HA 0.293 4.658 4.350 0.025 0.000 0.278 296 E C 0.260 176.828 176.600 -0.053 0.000 1.027 296 E CA -0.362 56.002 56.400 -0.060 0.000 0.843 296 E CB 0.592 30.268 29.700 -0.040 0.000 1.062 296 E HN 0.748 nan 8.360 nan 0.000 0.401 297 N N 1.358 120.050 118.700 -0.015 0.000 2.686 297 N HA -0.161 4.593 4.740 0.025 0.000 0.261 297 N C -2.448 173.056 175.510 -0.010 0.000 1.001 297 N CA 0.163 53.221 53.050 0.014 0.000 0.764 297 N CB -1.031 37.468 38.487 0.020 0.000 0.898 297 N HN 0.314 nan 8.380 nan 0.000 0.544 298 P HA 0.016 nan 4.420 nan 0.000 0.270 298 P C -0.486 176.843 177.300 0.048 0.000 1.223 298 P CA 0.200 63.192 63.100 -0.179 0.000 0.785 298 P CB 0.748 32.114 31.700 -0.557 0.000 0.923 299 K N 2.065 122.591 120.400 0.210 0.000 2.285 299 K HA 0.317 4.651 4.320 0.025 0.000 0.286 299 K C 0.177 176.948 176.600 0.284 0.000 1.072 299 K CA -0.481 55.922 56.287 0.194 0.000 0.913 299 K CB 0.230 32.815 32.500 0.142 0.000 1.067 299 K HN 0.405 nan 8.250 nan 0.000 0.479 300 L N 2.561 123.882 121.223 0.163 0.000 2.426 300 L HA 0.178 4.532 4.340 0.025 0.000 0.271 300 L C 0.134 177.094 176.870 0.149 0.000 1.169 300 L CA -0.547 54.387 54.840 0.157 0.000 0.836 300 L CB 0.271 42.254 42.059 -0.127 0.000 1.112 300 L HN 0.604 nan 8.230 nan 0.000 0.465 301 W N 3.558 124.902 121.300 0.073 0.000 2.381 301 W HA 0.465 5.139 4.660 0.023 0.000 0.329 301 W C 0.081 176.555 176.519 -0.074 0.000 1.157 301 W CA 0.144 57.514 57.345 0.040 0.000 1.240 301 W CB 1.289 30.823 29.460 0.123 0.000 1.199 301 W HN 0.612 nan 8.180 nan 0.000 0.579 302 S N 2.722 117.858 115.700 -0.940 0.000 2.643 302 S HA 0.619 5.104 4.470 0.025 0.000 0.270 302 S C 0.010 173.765 174.600 -1.409 0.000 1.166 302 S CA -0.347 57.340 58.200 -0.855 0.000 0.815 302 S CB 1.014 64.043 63.200 -0.285 0.000 1.139 302 S HN 1.050 nan 8.310 nan 0.000 0.472 303 A N 0.430 122.642 122.820 -1.014 0.000 2.066 303 A HA 0.098 4.433 4.320 0.025 0.000 0.218 303 A C 1.732 178.988 177.584 -0.546 0.000 1.157 303 A CA 1.345 52.819 52.037 -0.938 0.000 0.670 303 A CB -0.907 17.407 19.000 -1.144 0.000 0.804 303 A HN 0.862 nan 8.150 nan 0.000 0.453 304 E N -0.680 119.330 120.200 -0.318 0.000 2.072 304 E HA 0.059 4.424 4.350 0.025 0.000 0.190 304 E C -0.190 176.249 176.600 -0.267 0.000 0.982 304 E CA 0.685 56.948 56.400 -0.228 0.000 0.803 304 E CB 0.024 29.708 29.700 -0.026 0.000 0.755 304 E HN 0.575 nan 8.360 nan 0.000 0.453 305 I N 1.978 122.370 120.570 -0.297 0.000 2.542 305 I HA 0.156 4.341 4.170 0.025 0.000 0.278 305 I C -2.483 173.387 176.117 -0.412 0.000 1.069 305 I CA -1.978 59.168 61.300 -0.258 0.000 1.100 305 I CB 2.279 40.187 38.000 -0.153 0.000 1.204 305 I HN -0.205 nan 8.210 nan 0.000 0.470 306 P HA 0.079 nan 4.420 nan 0.000 0.225 306 P C -0.573 176.694 177.300 -0.054 0.000 1.768 306 P CA -0.300 62.475 63.100 -0.542 0.000 0.943 306 P CB -0.326 31.259 31.700 -0.192 0.000 1.936 307 N N 1.606 120.291 118.700 -0.023 0.000 2.411 307 N HA 0.054 4.808 4.740 0.025 0.000 0.261 307 N C 0.109 175.814 175.510 0.324 0.000 1.248 307 N CA 0.608 53.726 53.050 0.113 0.000 0.885 307 N CB 0.664 39.220 38.487 0.116 0.000 1.062 307 N HN 0.316 nan 8.380 nan 0.000 0.471 308 L N 2.532 123.862 121.223 0.178 0.000 2.362 308 L HA 0.458 4.813 4.340 0.025 0.000 0.271 308 L C -0.646 176.276 176.870 0.087 0.000 1.002 308 L CA -0.862 54.127 54.840 0.248 0.000 0.818 308 L CB 1.179 43.369 42.059 0.218 0.000 1.298 308 L HN 0.394 nan 8.230 nan 0.000 0.420 309 Y N 0.618 121.080 120.300 0.269 0.000 2.602 309 Y HA 0.626 5.191 4.550 0.025 0.000 0.330 309 Y C -0.087 175.941 175.900 0.214 0.000 1.114 309 Y CA -0.749 57.512 58.100 0.269 0.000 1.182 309 Y CB 1.651 40.348 38.460 0.396 0.000 1.305 309 Y HN 0.395 nan 8.280 nan 0.000 0.502 310 R N 1.039 121.771 120.500 0.386 0.000 2.439 310 R HA 0.775 5.130 4.340 0.025 0.000 0.310 310 R C -1.608 174.888 176.300 0.327 0.000 0.955 310 R CA -0.476 55.788 56.100 0.273 0.000 0.853 310 R CB 1.014 31.405 30.300 0.151 0.000 1.171 310 R HN 0.738 nan 8.270 nan 0.000 0.449 311 A N 3.910 126.869 122.820 0.231 0.000 2.274 311 A HA 0.588 4.923 4.320 0.025 0.000 0.309 311 A C -0.950 176.704 177.584 0.117 0.000 1.226 311 A CA -0.601 51.549 52.037 0.188 0.000 0.853 311 A CB 1.122 20.210 19.000 0.148 0.000 1.146 311 A HN 0.488 nan 8.150 nan 0.000 0.518 312 V N 3.708 123.693 119.914 0.118 0.000 2.409 312 V HA 0.363 4.498 4.120 0.025 0.000 0.291 312 V C -0.371 175.709 176.094 -0.024 0.000 1.020 312 V CA -0.510 61.806 62.300 0.028 0.000 0.848 312 V CB 1.549 33.419 31.823 0.079 0.000 0.990 312 V HN 0.612 nan 8.190 nan 0.000 0.430 313 V N 4.776 124.605 119.914 -0.143 0.000 2.328 313 V HA 0.426 4.561 4.120 0.025 0.000 0.278 313 V C -0.004 176.026 176.094 -0.105 0.000 1.021 313 V CA -0.556 61.632 62.300 -0.188 0.000 0.838 313 V CB 1.171 32.721 31.823 -0.455 0.000 0.999 313 V HN 0.913 nan 8.190 nan 0.000 0.447 314 E N 3.764 123.956 120.200 -0.014 0.000 2.166 314 E HA 0.524 4.889 4.350 0.025 0.000 0.275 314 E C -1.072 175.601 176.600 0.121 0.000 0.941 314 E CA -0.883 55.562 56.400 0.074 0.000 0.784 314 E CB 2.516 32.305 29.700 0.148 0.000 1.115 314 E HN 0.457 nan 8.360 nan 0.000 0.399 315 L N 4.638 125.915 121.223 0.089 0.000 2.272 315 L HA 0.410 4.765 4.340 0.025 0.000 0.289 315 L C -0.992 175.962 176.870 0.140 0.000 1.032 315 L CA 0.111 54.985 54.840 0.056 0.000 0.810 315 L CB 0.083 42.170 42.059 0.047 0.000 1.205 315 L HN 0.705 nan 8.230 nan 0.000 0.422 316 H N 0.141 119.248 119.070 0.062 0.000 2.902 316 H HA 0.734 5.304 4.556 0.025 0.000 0.297 316 H C -0.877 174.521 175.328 0.116 0.000 1.406 316 H CA -0.533 55.556 56.048 0.069 0.000 1.134 316 H CB 0.601 30.384 29.762 0.035 0.000 1.833 316 H HN 0.470 nan 8.280 nan 0.000 0.527 317 T N -2.104 112.622 114.554 0.287 0.000 2.927 317 T HA 0.586 4.951 4.350 0.025 0.000 0.281 317 T C 1.354 176.233 174.700 0.300 0.000 0.998 317 T CA -0.388 61.868 62.100 0.261 0.000 1.019 317 T CB 1.630 70.573 68.868 0.125 0.000 1.061 317 T HN 0.945 nan 8.240 nan 0.000 0.518 318 A N 1.174 124.130 122.820 0.227 0.000 1.933 318 A HA -0.073 4.262 4.320 0.025 0.000 0.218 318 A C 1.810 179.468 177.584 0.123 0.000 1.175 318 A CA 1.886 54.029 52.037 0.177 0.000 0.628 318 A CB -1.244 17.848 19.000 0.152 0.000 0.814 318 A HN 1.028 nan 8.150 nan 0.000 0.444 319 D N -2.521 117.922 120.400 0.072 0.000 2.371 319 D HA 0.291 4.946 4.640 0.025 0.000 0.221 319 D C 1.043 177.362 176.300 0.031 0.000 0.986 319 D CA 1.015 55.032 54.000 0.028 0.000 0.899 319 D CB -0.304 40.485 40.800 -0.020 0.000 0.902 319 D HN 0.784 nan 8.370 nan 0.000 0.530 320 G N -1.147 107.697 108.800 0.073 0.000 2.135 320 G HA2 -0.191 3.783 3.960 0.025 0.000 0.183 320 G HA3 -0.191 3.783 3.960 0.025 0.000 0.183 320 G C 0.045 174.949 174.900 0.007 0.000 1.004 320 G CA -0.028 45.081 45.100 0.014 0.000 0.677 320 G HN 0.368 nan 8.290 nan 0.000 0.512 321 T N 1.127 115.713 114.554 0.054 0.000 2.767 321 T HA 0.550 4.915 4.350 0.025 0.000 0.288 321 T C 0.240 174.991 174.700 0.085 0.000 0.963 321 T CA -0.369 61.754 62.100 0.038 0.000 1.019 321 T CB 1.898 70.778 68.868 0.020 0.000 0.923 321 T HN 0.547 nan 8.240 nan 0.000 0.468 322 L N 4.724 125.977 121.223 0.050 0.000 2.367 322 L HA 0.370 4.725 4.340 0.025 0.000 0.275 322 L C 0.692 177.609 176.870 0.079 0.000 1.129 322 L CA 0.425 55.313 54.840 0.079 0.000 0.839 322 L CB 0.102 42.181 42.059 0.033 0.000 1.133 322 L HN 0.717 nan 8.230 nan 0.000 0.453 323 I N 2.544 123.173 120.570 0.099 0.000 2.685 323 I HA 0.149 4.334 4.170 0.025 0.000 0.251 323 I C 0.261 176.403 176.117 0.041 0.000 1.102 323 I CA 0.466 61.806 61.300 0.067 0.000 1.442 323 I CB 0.174 38.219 38.000 0.074 0.000 1.194 323 I HN 0.820 nan 8.210 nan 0.000 0.448 324 E N 0.077 120.302 120.200 0.042 0.000 2.422 324 E HA 0.692 5.057 4.350 0.025 0.000 0.280 324 E C -1.575 175.045 176.600 0.034 0.000 1.091 324 E CA -1.081 55.336 56.400 0.028 0.000 0.849 324 E CB 1.590 31.274 29.700 -0.026 0.000 1.353 324 E HN -0.014 nan 8.360 nan 0.000 0.449 325 A N 1.104 123.966 122.820 0.070 0.000 2.449 325 A HA 0.708 5.043 4.320 0.025 0.000 0.302 325 A C -1.003 176.683 177.584 0.170 0.000 1.048 325 A CA -0.724 51.359 52.037 0.077 0.000 0.708 325 A CB 1.686 20.733 19.000 0.078 0.000 1.274 325 A HN 0.504 nan 8.150 nan 0.000 0.410 326 E N -0.275 119.944 120.200 0.031 0.000 2.370 326 E HA 0.887 5.251 4.350 0.025 0.000 0.259 326 E C -0.310 176.318 176.600 0.047 0.000 0.947 326 E CA -0.344 56.119 56.400 0.105 0.000 0.809 326 E CB 2.265 31.884 29.700 -0.137 0.000 1.300 326 E HN 1.366 nan 8.360 nan 0.000 0.419 327 A N -0.454 122.501 122.820 0.224 0.000 2.490 327 A HA 0.656 4.991 4.320 0.025 0.000 0.292 327 A C -1.322 176.490 177.584 0.380 0.000 1.047 327 A CA -0.226 51.902 52.037 0.152 0.000 0.632 327 A CB 0.428 19.453 19.000 0.043 0.000 1.323 327 A HN 0.962 nan 8.150 nan 0.000 0.448 328 C N -0.828 118.641 119.300 0.282 0.000 3.312 328 C HA 0.774 5.249 4.460 0.025 0.000 0.332 328 C C -1.525 173.565 174.990 0.167 0.000 1.340 328 C CA -0.902 58.264 59.018 0.247 0.000 1.265 328 C CB 0.902 28.799 27.740 0.261 0.000 1.563 328 C HN 0.856 nan 8.230 nan 0.000 0.471 329 D N 1.060 121.535 120.400 0.125 0.000 2.350 329 D HA 0.552 5.207 4.640 0.025 0.000 0.249 329 D C -0.310 176.048 176.300 0.096 0.000 1.119 329 D CA 0.215 54.289 54.000 0.123 0.000 0.886 329 D CB 1.754 42.625 40.800 0.117 0.000 1.195 329 D HN 0.573 nan 8.370 nan 0.000 0.437 330 V N 1.207 121.215 119.914 0.157 0.000 2.540 330 V HA 0.667 4.802 4.120 0.025 0.000 0.302 330 V C 0.561 176.763 176.094 0.181 0.000 1.035 330 V CA -0.889 61.467 62.300 0.093 0.000 0.873 330 V CB 2.082 33.952 31.823 0.079 0.000 0.992 330 V HN 0.606 nan 8.190 nan 0.000 0.428 331 G N 3.153 111.953 108.800 -0.000 0.000 2.533 331 G HA2 0.575 4.550 3.960 0.025 0.000 0.310 331 G HA3 0.575 4.550 3.960 0.025 0.000 0.310 331 G C -0.866 174.142 174.900 0.180 0.000 1.266 331 G CA -0.377 44.794 45.100 0.118 0.000 0.967 331 G HN 0.444 nan 8.290 nan 0.000 0.493 332 F N 4.409 124.576 119.950 0.362 0.000 2.490 332 F HA 0.384 4.926 4.527 0.024 0.000 0.357 332 F C 1.136 177.186 175.800 0.417 0.000 1.166 332 F CA 0.019 58.283 58.000 0.440 0.000 1.116 332 F CB 0.392 39.658 39.000 0.442 0.000 1.171 332 F HN 0.464 nan 8.300 nan 0.000 0.576 333 R N 2.938 123.712 120.500 0.458 0.000 2.664 333 R HA 0.365 4.720 4.340 0.025 0.000 0.266 333 R C -1.878 174.546 176.300 0.205 0.000 1.046 333 R CA -0.771 55.425 56.100 0.161 0.000 0.885 333 R CB 1.280 31.707 30.300 0.210 0.000 1.254 333 R HN 0.539 nan 8.270 nan 0.000 0.465 334 E N 2.136 122.369 120.200 0.054 0.000 2.199 334 E HA 0.529 4.894 4.350 0.025 0.000 0.269 334 E C -1.196 175.460 176.600 0.094 0.000 0.899 334 E CA -0.928 55.584 56.400 0.186 0.000 0.772 334 E CB 2.123 32.030 29.700 0.346 0.000 1.155 334 E HN 0.392 nan 8.360 nan 0.000 0.408 335 V N 5.279 125.250 119.914 0.094 0.000 2.487 335 V HA 0.615 4.750 4.120 0.025 0.000 0.298 335 V C -0.196 175.933 176.094 0.058 0.000 1.028 335 V CA -0.638 61.690 62.300 0.046 0.000 0.860 335 V CB 1.443 33.272 31.823 0.010 0.000 0.991 335 V HN 0.767 nan 8.190 nan 0.000 0.427 336 R N 4.211 124.740 120.500 0.049 0.000 2.690 336 R HA 0.684 5.038 4.340 0.025 0.000 0.269 336 R C -2.344 173.981 176.300 0.040 0.000 1.037 336 R CA -0.893 55.240 56.100 0.056 0.000 0.877 336 R CB 1.742 32.092 30.300 0.083 0.000 1.255 336 R HN 0.531 nan 8.270 nan 0.000 0.467 337 I N 1.319 121.915 120.570 0.042 0.000 2.389 337 I HA 0.379 4.564 4.170 0.025 0.000 0.288 337 I C -0.721 175.419 176.117 0.039 0.000 0.999 337 I CA -0.469 60.851 61.300 0.033 0.000 1.129 337 I CB 1.962 39.983 38.000 0.035 0.000 1.288 337 I HN 0.684 nan 8.210 nan 0.000 0.444 338 E N 5.568 125.788 120.200 0.032 0.000 2.292 338 E HA 0.280 4.645 4.350 0.025 0.000 0.272 338 E C -0.125 176.491 176.600 0.025 0.000 0.881 338 E CA -0.553 55.868 56.400 0.035 0.000 0.754 338 E CB 1.140 30.867 29.700 0.045 0.000 1.201 338 E HN 0.525 nan 8.360 nan 0.000 0.425 339 N N 2.928 121.643 118.700 0.025 0.000 2.693 339 N HA -0.247 4.508 4.740 0.025 0.000 0.249 339 N C 0.440 175.958 175.510 0.013 0.000 1.119 339 N CA 2.133 55.194 53.050 0.018 0.000 0.717 339 N CB -1.117 37.380 38.487 0.016 0.000 1.071 339 N HN 0.967 nan 8.380 nan 0.000 0.555 340 G N -2.494 106.314 108.800 0.013 0.000 2.157 340 G HA2 -0.264 3.711 3.960 0.025 0.000 0.248 340 G HA3 -0.264 3.711 3.960 0.025 0.000 0.248 340 G C -0.142 174.755 174.900 -0.004 0.000 0.979 340 G CA 0.399 45.502 45.100 0.007 0.000 0.650 340 G HN 0.449 nan 8.290 nan 0.000 0.529 341 L N -0.127 121.094 121.223 -0.003 0.000 2.354 341 L HA 0.726 5.081 4.340 0.025 0.000 0.269 341 L C 0.106 176.966 176.870 -0.017 0.000 1.005 341 L CA -1.369 53.460 54.840 -0.018 0.000 0.819 341 L CB 1.895 43.944 42.059 -0.018 0.000 1.311 341 L HN 0.078 nan 8.230 nan 0.000 0.423 342 L N 4.047 125.247 121.223 -0.037 0.000 2.325 342 L HA 0.406 4.761 4.340 0.025 0.000 0.284 342 L C -0.787 176.055 176.870 -0.047 0.000 1.089 342 L CA 0.381 55.197 54.840 -0.039 0.000 0.836 342 L CB 0.141 42.163 42.059 -0.062 0.000 1.184 342 L HN 0.364 nan 8.230 nan 0.000 0.444 343 L N 5.954 127.165 121.223 -0.020 0.000 2.317 343 L HA 0.535 4.890 4.340 0.025 0.000 0.281 343 L C -0.696 176.169 176.870 -0.009 0.000 1.024 343 L CA -0.794 54.041 54.840 -0.009 0.000 0.810 343 L CB 1.784 43.860 42.059 0.027 0.000 1.240 343 L HN 0.533 nan 8.230 nan 0.000 0.427 344 L N 4.095 125.322 121.223 0.006 0.000 2.349 344 L HA 0.485 4.840 4.340 0.025 0.000 0.278 344 L C -0.272 176.581 176.870 -0.029 0.000 0.996 344 L CA -0.063 54.785 54.840 0.013 0.000 0.825 344 L CB 0.930 43.005 42.059 0.027 0.000 1.243 344 L HN 0.611 nan 8.230 nan 0.000 0.412 345 N N 4.159 122.679 118.700 -0.300 0.000 2.725 345 N HA -0.217 4.538 4.740 0.025 0.000 0.251 345 N C 0.945 176.002 175.510 -0.754 0.000 1.031 345 N CA 1.254 53.760 53.050 -0.905 0.000 0.720 345 N CB -1.337 36.525 38.487 -1.041 0.000 0.930 345 N HN 1.188 nan 8.380 nan 0.000 0.543 346 G N -1.866 106.788 108.800 -0.244 0.000 2.189 346 G HA2 -0.377 3.598 3.960 0.025 0.000 0.267 346 G HA3 -0.377 3.598 3.960 0.025 0.000 0.267 346 G C 0.033 174.951 174.900 0.030 0.000 0.975 346 G CA 1.147 46.270 45.100 0.039 0.000 0.644 346 G HN 0.499 nan 8.290 nan 0.000 0.537 347 K N 0.560 120.980 120.400 0.033 0.000 2.267 347 K HA 0.547 4.882 4.320 0.025 0.000 0.246 347 K C -2.923 173.659 176.600 -0.031 0.000 0.954 347 K CA -2.233 54.051 56.287 -0.004 0.000 0.824 347 K CB 2.393 34.835 32.500 -0.096 0.000 1.167 347 K HN 0.030 nan 8.250 nan 0.000 0.431 348 P HA 0.201 nan 4.420 nan 0.000 0.276 348 P C -0.221 177.011 177.300 -0.113 0.000 1.253 348 P CA -0.197 62.856 63.100 -0.079 0.000 0.766 348 P CB 0.361 32.019 31.700 -0.070 0.000 0.845 349 L N 3.505 124.656 121.223 -0.121 0.000 2.453 349 L HA 0.331 4.686 4.340 0.025 0.000 0.261 349 L C 0.679 177.462 176.870 -0.145 0.000 1.179 349 L CA -0.613 54.141 54.840 -0.144 0.000 0.813 349 L CB 0.191 42.119 42.059 -0.218 0.000 1.110 349 L HN 0.253 nan 8.230 nan 0.000 0.466 350 L N 3.392 124.544 121.223 -0.117 0.000 2.442 350 L HA 0.421 4.776 4.340 0.025 0.000 0.261 350 L C -0.555 176.259 176.870 -0.095 0.000 1.000 350 L CA -0.270 54.485 54.840 -0.142 0.000 0.882 350 L CB 0.788 42.793 42.059 -0.089 0.000 1.207 350 L HN 0.249 nan 8.230 nan 0.000 0.443 351 I N 4.510 124.957 120.570 -0.205 0.000 2.505 351 I HA 0.162 4.347 4.170 0.025 0.000 0.287 351 I C 0.588 176.668 176.117 -0.061 0.000 1.104 351 I CA 0.284 61.486 61.300 -0.162 0.000 1.387 351 I CB 0.256 38.048 38.000 -0.348 0.000 1.404 351 I HN 0.556 nan 8.210 nan 0.000 0.528 352 R N 4.859 125.421 120.500 0.103 0.000 2.666 352 R HA 0.480 4.835 4.340 0.025 0.000 0.275 352 R C 0.479 176.926 176.300 0.245 0.000 1.266 352 R CA -0.273 55.955 56.100 0.213 0.000 1.401 352 R CB 0.966 31.236 30.300 -0.050 0.000 1.145 352 R HN 0.793 nan 8.270 nan 0.000 0.581 353 G N 0.211 109.086 108.800 0.126 0.000 2.597 353 G HA2 0.611 4.586 3.960 0.025 0.000 0.317 353 G HA3 0.611 4.586 3.960 0.025 0.000 0.317 353 G C -1.337 173.828 174.900 0.442 0.000 1.230 353 G CA -0.496 44.676 45.100 0.120 0.000 0.996 353 G HN 0.249 nan 8.290 nan 0.000 0.490 354 V N -0.159 120.002 119.914 0.411 0.000 3.012 354 V HA 0.478 4.613 4.120 0.025 0.000 0.307 354 V C -0.978 175.262 176.094 0.244 0.000 1.166 354 V CA -1.202 61.248 62.300 0.249 0.000 0.974 354 V CB 2.144 33.833 31.823 -0.224 0.000 1.040 354 V HN 0.787 nan 8.190 nan 0.000 0.428 355 N N 4.113 122.883 118.700 0.118 0.000 2.530 355 N HA 0.449 5.204 4.740 0.025 0.000 0.277 355 N C -0.714 174.617 175.510 -0.299 0.000 1.168 355 N CA -0.340 52.637 53.050 -0.122 0.000 0.979 355 N CB 1.314 39.684 38.487 -0.194 0.000 1.141 355 N HN 0.643 nan 8.380 nan 0.000 0.459 356 R N 1.694 121.973 120.500 -0.368 0.000 2.512 356 R HA 0.196 4.551 4.340 0.025 0.000 0.291 356 R C -1.174 174.893 176.300 -0.388 0.000 1.097 356 R CA -0.524 55.385 56.100 -0.320 0.000 0.940 356 R CB 0.817 30.906 30.300 -0.353 0.000 1.198 356 R HN 0.619 nan 8.270 nan 0.000 0.429 357 H N 2.006 120.946 119.070 -0.217 0.000 2.509 357 H HA 0.158 4.729 4.556 0.025 0.000 0.359 357 H C -0.470 174.861 175.328 0.005 0.000 1.253 357 H CA -0.095 55.914 56.048 -0.065 0.000 1.373 357 H CB 1.528 31.320 29.762 0.051 0.000 1.555 357 H HN 0.566 nan 8.280 nan 0.000 0.586 358 E N 1.676 122.070 120.200 0.323 0.000 1.861 358 E HA 0.070 4.435 4.350 0.025 0.000 0.263 358 E C -0.757 175.997 176.600 0.257 0.000 1.137 358 E CA -0.003 56.518 56.400 0.201 0.000 0.944 358 E CB -0.026 29.816 29.700 0.235 0.000 1.092 358 E HN 0.314 nan 8.360 nan 0.000 0.420 359 H N 1.316 120.458 119.070 0.120 0.000 2.679 359 H HA 0.278 4.849 4.556 0.025 0.000 0.360 359 H C -1.514 173.875 175.328 0.102 0.000 1.105 359 H CA -0.677 55.435 56.048 0.107 0.000 1.196 359 H CB 0.998 30.808 29.762 0.080 0.000 1.636 359 H HN 0.330 nan 8.280 nan 0.000 0.531 360 H N 6.413 125.062 119.070 -0.702 0.000 2.840 360 H HA 0.201 4.772 4.556 0.024 0.000 0.340 360 H C -2.306 172.648 175.328 -0.624 0.000 1.004 360 H CA -2.356 53.442 56.048 -0.417 0.000 1.288 360 H CB 2.547 32.217 29.762 -0.154 0.000 1.607 360 H HN 0.532 nan 8.280 nan 0.000 0.522 361 P HA -0.111 nan 4.420 nan 0.000 0.219 361 P C 1.163 178.375 177.300 -0.147 0.000 1.146 361 P CA 0.951 63.916 63.100 -0.226 0.000 0.808 361 P CB 0.712 32.317 31.700 -0.158 0.000 0.779 362 L N -2.071 119.162 121.223 0.017 0.000 2.388 362 L HA 0.117 4.472 4.340 0.025 0.000 0.209 362 L C 2.107 178.754 176.870 -0.371 0.000 1.061 362 L CA 0.655 55.362 54.840 -0.220 0.000 0.834 362 L CB -0.841 40.981 42.059 -0.395 0.000 1.029 362 L HN -0.001 nan 8.230 nan 0.000 0.473 363 H N -0.151 118.877 119.070 -0.069 0.000 2.539 363 H HA 0.284 4.855 4.556 0.024 0.000 0.269 363 H C 1.441 176.654 175.328 -0.191 0.000 0.980 363 H CA 0.256 56.157 56.048 -0.244 0.000 1.152 363 H CB 0.345 29.822 29.762 -0.475 0.000 1.407 363 H HN 0.386 nan 8.280 nan 0.000 0.564 364 G N 1.470 110.170 108.800 -0.166 0.000 2.557 364 G HA2 -0.392 3.583 3.960 0.025 0.000 0.292 364 G HA3 -0.392 3.583 3.960 0.025 0.000 0.292 364 G C 0.690 175.502 174.900 -0.146 0.000 1.162 364 G CA 0.415 45.375 45.100 -0.233 0.000 0.964 364 G HN 0.480 nan 8.290 nan 0.000 0.541 365 Q N -0.087 119.666 119.800 -0.080 0.000 2.220 365 Q HA 0.461 4.816 4.340 0.025 0.000 0.205 365 Q C 0.233 176.354 176.000 0.201 0.000 0.865 365 Q CA -0.120 55.695 55.803 0.021 0.000 0.960 365 Q CB 1.386 30.036 28.738 -0.146 0.000 1.097 365 Q HN 0.360 nan 8.270 nan 0.000 0.493 366 V N 2.233 122.228 119.914 0.133 0.000 2.455 366 V HA 0.148 4.282 4.120 0.025 0.000 0.273 366 V C 0.171 176.305 176.094 0.068 0.000 1.045 366 V CA 0.105 62.478 62.300 0.121 0.000 0.976 366 V CB 0.774 32.602 31.823 0.008 0.000 0.993 366 V HN 0.333 nan 8.190 nan 0.000 0.475 367 M N 5.522 125.164 119.600 0.071 0.000 2.318 367 M HA 0.470 4.965 4.480 0.025 0.000 0.347 367 M C -0.269 175.979 176.300 -0.088 0.000 1.175 367 M CA -0.400 54.897 55.300 -0.005 0.000 1.075 367 M CB 1.606 34.163 32.600 -0.072 0.000 1.614 367 M HN 0.841 nan 8.290 nan 0.000 0.456 368 D N 0.564 120.926 120.400 -0.063 0.000 2.671 368 D HA 0.195 4.850 4.640 0.025 0.000 0.232 368 D C 0.074 176.361 176.300 -0.022 0.000 1.114 368 D CA -0.408 53.559 54.000 -0.056 0.000 0.858 368 D CB 1.982 42.762 40.800 -0.034 0.000 1.544 368 D HN 0.737 nan 8.370 nan 0.000 0.471 369 E N 0.826 121.019 120.200 -0.011 0.000 2.097 369 E HA -0.299 4.066 4.350 0.025 0.000 0.196 369 E C 1.723 178.372 176.600 0.082 0.000 1.000 369 E CA 1.385 57.810 56.400 0.042 0.000 0.804 369 E CB 0.163 29.900 29.700 0.062 0.000 0.740 369 E HN 0.547 nan 8.360 nan 0.000 0.454 370 Q N -0.366 119.481 119.800 0.080 0.000 2.096 370 Q HA -0.158 4.197 4.340 0.025 0.000 0.204 370 Q C 1.957 178.023 176.000 0.111 0.000 0.982 370 Q CA 2.148 58.008 55.803 0.095 0.000 0.850 370 Q CB -0.005 28.789 28.738 0.093 0.000 0.901 370 Q HN 0.334 nan 8.270 nan 0.000 0.422 371 T N 0.744 115.373 114.554 0.125 0.000 2.812 371 T HA -0.067 4.298 4.350 0.025 0.000 0.264 371 T C 1.880 176.670 174.700 0.150 0.000 1.042 371 T CA 1.216 63.401 62.100 0.143 0.000 1.140 371 T CB -0.119 68.858 68.868 0.181 0.000 0.870 371 T HN 0.281 nan 8.240 nan 0.000 0.445 372 M N 0.723 120.415 119.600 0.153 0.000 2.108 372 M HA -0.094 4.400 4.480 0.025 0.000 0.261 372 M C 2.437 178.899 176.300 0.270 0.000 1.066 372 M CA 1.291 56.762 55.300 0.284 0.000 1.107 372 M CB -0.667 32.145 32.600 0.355 0.000 1.356 372 M HN 0.091 nan 8.290 nan 0.000 0.406 373 V N 0.217 120.216 119.914 0.140 0.000 2.307 373 V HA -0.293 3.841 4.120 0.025 0.000 0.245 373 V C 2.353 178.448 176.094 0.002 0.000 1.045 373 V CA 2.110 64.426 62.300 0.026 0.000 1.024 373 V CB -0.851 31.017 31.823 0.075 0.000 0.651 373 V HN 0.554 nan 8.190 nan 0.000 0.449 374 Q N -0.296 119.551 119.800 0.078 0.000 2.096 374 Q HA -0.289 4.066 4.340 0.025 0.000 0.204 374 Q C 1.970 178.056 176.000 0.144 0.000 0.982 374 Q CA 2.273 58.135 55.803 0.099 0.000 0.850 374 Q CB -0.166 28.644 28.738 0.121 0.000 0.901 374 Q HN 0.610 nan 8.270 nan 0.000 0.422 375 D N 0.214 120.727 120.400 0.188 0.000 2.097 375 D HA -0.131 4.524 4.640 0.025 0.000 0.195 375 D C 1.901 178.206 176.300 0.008 0.000 0.989 375 D CA 1.078 55.213 54.000 0.224 0.000 0.827 375 D CB -0.165 40.752 40.800 0.195 0.000 0.966 375 D HN 0.349 nan 8.370 nan 0.000 0.456 376 I N 0.522 121.081 120.570 -0.018 0.000 2.226 376 I HA -0.233 3.951 4.170 0.025 0.000 0.245 376 I C 2.329 178.326 176.117 -0.200 0.000 1.100 376 I CA 0.656 61.833 61.300 -0.206 0.000 1.374 376 I CB -0.058 37.694 38.000 -0.414 0.000 1.057 376 I HN -0.003 nan 8.210 nan 0.000 0.413 377 L N -0.077 121.052 121.223 -0.156 0.000 2.141 377 L HA -0.196 4.159 4.340 0.025 0.000 0.209 377 L C 2.455 179.396 176.870 0.119 0.000 1.094 377 L CA 1.100 55.926 54.840 -0.023 0.000 0.763 377 L CB -0.466 41.592 42.059 -0.002 0.000 0.908 377 L HN 0.286 nan 8.230 nan 0.000 0.437 378 L N -0.989 120.334 121.223 0.168 0.000 2.093 378 L HA -0.208 4.146 4.340 0.025 0.000 0.208 378 L C 2.667 179.738 176.870 0.335 0.000 1.085 378 L CA 1.191 56.225 54.840 0.323 0.000 0.755 378 L CB -0.350 42.044 42.059 0.559 0.000 0.904 378 L HN 0.298 nan 8.230 nan 0.000 0.435 379 M N -0.382 119.255 119.600 0.062 0.000 2.065 379 M HA -0.258 4.237 4.480 0.025 0.000 0.259 379 M C 2.313 178.776 176.300 0.273 0.000 1.069 379 M CA 1.925 57.207 55.300 -0.031 0.000 1.110 379 M CB -0.393 31.916 32.600 -0.484 0.000 1.328 379 M HN 0.089 nan 8.290 nan 0.000 0.405 380 K N -0.049 120.397 120.400 0.077 0.000 2.097 380 K HA -0.169 4.166 4.320 0.025 0.000 0.205 380 K C 1.968 178.629 176.600 0.101 0.000 1.050 380 K CA 1.292 57.545 56.287 -0.057 0.000 0.938 380 K CB -0.160 32.179 32.500 -0.269 0.000 0.718 380 K HN 0.458 nan 8.250 nan 0.000 0.442 381 Q N 0.268 120.264 119.800 0.326 0.000 2.291 381 Q HA -0.030 4.325 4.340 0.025 0.000 0.205 381 Q C 0.863 177.170 176.000 0.511 0.000 0.970 381 Q CA 0.715 56.805 55.803 0.478 0.000 0.876 381 Q CB 0.145 29.127 28.738 0.407 0.000 0.935 381 Q HN 0.306 nan 8.270 nan 0.000 0.455 382 N N 0.744 119.699 118.700 0.424 0.000 2.276 382 N HA 0.037 4.792 4.740 0.025 0.000 0.212 382 N C -0.508 175.040 175.510 0.064 0.000 1.127 382 N CA 0.037 53.301 53.050 0.357 0.000 0.834 382 N CB 0.585 39.366 38.487 0.491 0.000 1.014 382 N HN 0.177 nan 8.380 nan 0.000 0.491 383 N N 0.100 118.885 118.700 0.141 0.000 2.829 383 N HA -0.175 4.580 4.740 0.025 0.000 0.250 383 N C -0.802 174.561 175.510 -0.244 0.000 1.090 383 N CA 0.747 53.822 53.050 0.041 0.000 0.781 383 N CB -1.765 36.675 38.487 -0.078 0.000 1.124 383 N HN 0.260 nan 8.380 nan 0.000 0.559 384 F N 1.246 121.239 119.950 0.071 0.000 2.384 384 F HA 0.286 4.827 4.527 0.024 0.000 0.338 384 F C 1.769 177.585 175.800 0.028 0.000 1.103 384 F CA -0.460 57.562 58.000 0.036 0.000 1.157 384 F CB 0.790 39.775 39.000 -0.025 0.000 1.167 384 F HN 0.048 nan 8.300 nan 0.000 0.529 385 N N 0.878 119.708 118.700 0.218 0.000 2.160 385 N HA 0.404 5.159 4.740 0.025 0.000 0.226 385 N C -0.881 174.691 175.510 0.103 0.000 1.256 385 N CA -0.047 53.057 53.050 0.090 0.000 0.890 385 N CB 0.761 39.336 38.487 0.147 0.000 1.116 385 N HN 0.455 nan 8.380 nan 0.000 0.517 386 A N -0.404 122.553 122.820 0.229 0.000 2.574 386 A HA 0.753 5.088 4.320 0.025 0.000 0.297 386 A C -1.713 176.120 177.584 0.415 0.000 1.062 386 A CA -0.718 51.522 52.037 0.339 0.000 0.686 386 A CB 1.911 21.129 19.000 0.364 0.000 1.285 386 A HN 0.193 nan 8.150 nan 0.000 0.403 387 V N 1.573 121.771 119.914 0.474 0.000 2.971 387 V HA 0.807 4.942 4.120 0.025 0.000 0.309 387 V C -0.622 175.584 176.094 0.186 0.000 1.130 387 V CA -0.763 61.757 62.300 0.368 0.000 0.964 387 V CB 1.948 33.901 31.823 0.216 0.000 1.029 387 V HN 1.153 nan 8.190 nan 0.000 0.427 388 R N 4.974 125.421 120.500 -0.088 0.000 2.338 388 R HA 0.460 4.815 4.340 0.025 0.000 0.317 388 R C -0.812 175.332 176.300 -0.260 0.000 0.968 388 R CA -0.448 55.397 56.100 -0.424 0.000 0.849 388 R CB 1.015 30.770 30.300 -0.907 0.000 1.128 388 R HN 0.784 nan 8.270 nan 0.000 0.448 389 C N 4.619 123.799 119.300 -0.199 0.000 3.031 389 C HA 0.091 4.566 4.460 0.025 0.000 0.489 389 C C 0.651 175.360 174.990 -0.467 0.000 1.020 389 C CA -0.355 58.500 59.018 -0.272 0.000 1.104 389 C CB -2.031 25.655 27.740 -0.090 0.000 1.470 389 C HN 0.738 nan 8.230 nan 0.000 0.583 390 S N 1.865 117.167 115.700 -0.663 0.000 2.443 390 S HA 0.158 4.643 4.470 0.025 0.000 0.284 390 S C -0.117 173.623 174.600 -1.434 0.000 1.206 390 S CA 0.232 57.765 58.200 -1.111 0.000 1.074 390 S CB -0.015 62.515 63.200 -1.117 0.000 0.963 390 S HN 0.745 nan 8.310 nan 0.000 0.501 391 H N 3.743 122.222 119.070 -0.985 0.000 2.695 391 H HA 0.293 4.864 4.556 0.024 0.000 0.222 391 H C -1.182 174.047 175.328 -0.164 0.000 1.412 391 H CA -0.360 55.497 56.048 -0.320 0.000 1.347 391 H CB -0.080 29.696 29.762 0.024 0.000 1.858 391 H HN 0.898 nan 8.280 nan 0.000 0.519 392 Y N -2.624 117.786 120.300 0.184 0.000 2.765 392 Y HA 0.422 4.987 4.550 0.025 0.000 0.350 392 Y C -3.362 172.647 175.900 0.183 0.000 1.196 392 Y CA -2.929 55.283 58.100 0.187 0.000 1.119 392 Y CB 0.056 38.634 38.460 0.197 0.000 1.368 392 Y HN -0.086 nan 8.280 nan 0.000 0.463 393 P HA 0.217 nan 4.420 nan 0.000 0.275 393 P C -0.634 176.966 177.300 0.500 0.000 1.227 393 P CA 0.006 63.362 63.100 0.426 0.000 0.781 393 P CB 0.664 32.546 31.700 0.303 0.000 0.906 394 N N 0.576 119.587 118.700 0.519 0.000 2.413 394 N HA 0.066 4.821 4.740 0.025 0.000 0.266 394 N C 0.168 175.946 175.510 0.448 0.000 1.238 394 N CA -0.522 52.762 53.050 0.390 0.000 0.972 394 N CB 0.296 38.825 38.487 0.069 0.000 1.210 394 N HN 0.604 nan 8.380 nan 0.000 0.547 395 H N 2.196 121.394 119.070 0.212 0.000 2.964 395 H HA 0.017 4.587 4.556 0.024 0.000 0.328 395 H C -1.646 173.858 175.328 0.293 0.000 1.030 395 H CA -0.986 55.161 56.048 0.166 0.000 1.445 395 H CB 1.020 30.843 29.762 0.101 0.000 1.449 395 H HN 0.415 nan 8.280 nan 0.000 0.581 396 P HA -0.216 nan 4.420 nan 0.000 0.217 396 P C 1.761 179.387 177.300 0.543 0.000 1.148 396 P CA 0.741 64.084 63.100 0.405 0.000 0.828 396 P CB 0.217 31.996 31.700 0.131 0.000 0.783 397 L N -1.339 120.290 121.223 0.676 0.000 2.275 397 L HA -0.019 4.336 4.340 0.025 0.000 0.215 397 L C 2.381 179.440 176.870 0.314 0.000 1.119 397 L CA 1.298 56.387 54.840 0.416 0.000 0.790 397 L CB -1.310 40.933 42.059 0.307 0.000 0.919 397 L HN 0.001 nan 8.230 nan 0.000 0.443 398 W N -0.404 120.955 121.300 0.098 0.000 2.318 398 W HA -0.346 4.328 4.660 0.024 0.000 0.313 398 W C 2.122 178.530 176.519 -0.184 0.000 1.221 398 W CA 1.992 59.263 57.345 -0.123 0.000 1.266 398 W CB -0.353 28.921 29.460 -0.310 0.000 1.150 398 W HN 0.274 nan 8.180 nan 0.000 0.496 399 Y N 0.493 120.752 120.300 -0.068 0.000 2.181 399 Y HA -0.237 4.327 4.550 0.024 0.000 0.288 399 Y C 2.863 178.583 175.900 -0.300 0.000 1.146 399 Y CA 2.124 59.974 58.100 -0.417 0.000 1.164 399 Y CB -1.430 36.456 38.460 -0.956 0.000 0.982 399 Y HN -0.219 nan 8.280 nan 0.000 0.515 400 T N 0.691 115.302 114.554 0.096 0.000 2.708 400 T HA -0.157 4.207 4.350 0.025 0.000 0.266 400 T C 1.975 176.720 174.700 0.075 0.000 1.037 400 T CA 1.521 63.729 62.100 0.179 0.000 1.146 400 T CB -0.551 68.463 68.868 0.243 0.000 0.865 400 T HN 0.221 nan 8.240 nan 0.000 0.435 401 L N 0.250 121.476 121.223 0.006 0.000 2.056 401 L HA -0.088 4.267 4.340 0.025 0.000 0.207 401 L C 2.910 179.757 176.870 -0.038 0.000 1.078 401 L CA 0.906 55.764 54.840 0.029 0.000 0.749 401 L CB -0.772 41.283 42.059 -0.006 0.000 0.901 401 L HN 0.368 nan 8.230 nan 0.000 0.433 402 C N -0.173 118.939 119.300 -0.313 0.000 2.425 402 C HA -0.146 4.328 4.460 0.025 0.000 0.277 402 C C 2.445 177.475 174.990 0.065 0.000 1.280 402 C CA 0.407 59.277 59.018 -0.247 0.000 1.744 402 C CB -0.806 26.675 27.740 -0.431 0.000 1.989 402 C HN 0.541 nan 8.230 nan 0.000 0.491 403 D N 0.603 121.043 120.400 0.066 0.000 2.092 403 D HA -0.114 4.541 4.640 0.025 0.000 0.193 403 D C 2.396 178.895 176.300 0.330 0.000 0.994 403 D CA 1.292 55.388 54.000 0.159 0.000 0.828 403 D CB -0.393 40.472 40.800 0.108 0.000 0.963 403 D HN 0.525 nan 8.370 nan 0.000 0.450 404 R N -0.756 119.833 120.500 0.150 0.000 2.073 404 R HA -0.069 4.286 4.340 0.025 0.000 0.229 404 R C 2.423 178.691 176.300 -0.054 0.000 1.120 404 R CA 0.832 56.953 56.100 0.035 0.000 0.967 404 R CB -0.371 29.864 30.300 -0.108 0.000 0.862 404 R HN 0.327 nan 8.270 nan 0.000 0.436 405 Y N -0.021 120.302 120.300 0.038 0.000 2.337 405 Y HA 0.109 4.673 4.550 0.024 0.000 0.293 405 Y C 1.117 176.959 175.900 -0.098 0.000 1.123 405 Y CA 0.837 58.928 58.100 -0.015 0.000 1.201 405 Y CB 0.418 38.842 38.460 -0.060 0.000 1.011 405 Y HN 0.287 nan 8.280 nan 0.000 0.545 406 G N 1.113 109.968 108.800 0.092 0.000 2.858 406 G HA2 -0.137 3.838 3.960 0.025 0.000 0.272 406 G HA3 -0.137 3.838 3.960 0.025 0.000 0.272 406 G C -1.162 173.605 174.900 -0.222 0.000 1.003 406 G CA -0.566 44.463 45.100 -0.119 0.000 1.241 406 G HN 0.165 nan 8.290 nan 0.000 0.569 407 L N 0.784 121.957 121.223 -0.084 0.000 2.472 407 L HA 0.506 4.861 4.340 0.025 0.000 0.260 407 L C -0.087 176.782 176.870 -0.001 0.000 0.963 407 L CA -1.334 53.400 54.840 -0.177 0.000 0.829 407 L CB 2.098 44.078 42.059 -0.132 0.000 1.348 407 L HN 0.457 nan 8.230 nan 0.000 0.408 408 Y N 1.796 122.233 120.300 0.229 0.000 2.377 408 Y HA 0.387 4.953 4.550 0.028 0.000 0.330 408 Y C 0.143 176.167 175.900 0.206 0.000 1.108 408 Y CA -0.653 57.605 58.100 0.264 0.000 1.308 408 Y CB 1.245 39.843 38.460 0.230 0.000 1.216 408 Y HN 0.129 nan 8.280 nan 0.000 0.518 409 V N 4.355 124.449 119.914 0.301 0.000 2.604 409 V HA 0.311 4.446 4.120 0.025 0.000 0.305 409 V C -0.605 175.557 176.094 0.115 0.000 1.043 409 V CA -1.032 61.378 62.300 0.184 0.000 0.888 409 V CB 1.988 33.871 31.823 0.100 0.000 0.995 409 V HN 0.453 nan 8.190 nan 0.000 0.429 410 V N 3.223 123.172 119.914 0.058 0.000 2.333 410 V HA 0.327 4.461 4.120 0.025 0.000 0.274 410 V C -0.328 175.794 176.094 0.047 0.000 1.028 410 V CA -0.312 61.979 62.300 -0.014 0.000 0.851 410 V CB 1.359 33.068 31.823 -0.189 0.000 1.000 410 V HN 0.872 nan 8.190 nan 0.000 0.456 411 D N 4.181 124.663 120.400 0.135 0.000 2.280 411 D HA 0.348 5.002 4.640 0.025 0.000 0.243 411 D C -0.247 176.257 176.300 0.339 0.000 1.129 411 D CA -0.107 54.073 54.000 0.300 0.000 0.848 411 D CB 1.345 42.393 40.800 0.413 0.000 1.107 411 D HN 0.687 nan 8.370 nan 0.000 0.471 412 E N 1.872 122.227 120.200 0.258 0.000 2.210 412 E HA 0.638 5.003 4.350 0.025 0.000 0.266 412 E C -1.023 175.711 176.600 0.222 0.000 0.883 412 E CA -1.061 55.475 56.400 0.226 0.000 0.761 412 E CB 1.386 31.172 29.700 0.144 0.000 1.156 412 E HN 0.448 nan 8.360 nan 0.000 0.412 413 A N 3.723 126.662 122.820 0.199 0.000 2.483 413 A HA 0.078 4.413 4.320 0.025 0.000 0.238 413 A C 0.236 177.940 177.584 0.200 0.000 1.070 413 A CA -0.204 51.929 52.037 0.161 0.000 0.770 413 A CB 0.134 19.190 19.000 0.093 0.000 1.008 413 A HN 0.692 nan 8.150 nan 0.000 0.497 414 N N 1.175 120.004 118.700 0.215 0.000 2.968 414 N HA 0.323 5.078 4.740 0.025 0.000 0.271 414 N C -1.115 174.521 175.510 0.211 0.000 1.174 414 N CA 0.165 53.379 53.050 0.275 0.000 1.096 414 N CB -0.746 37.904 38.487 0.272 0.000 1.403 414 N HN 0.467 nan 8.380 nan 0.000 0.522 415 I N 1.197 121.885 120.570 0.196 0.000 2.531 415 I HA 0.244 4.429 4.170 0.025 0.000 0.283 415 I C -0.729 175.483 176.117 0.158 0.000 1.083 415 I CA -0.531 60.862 61.300 0.156 0.000 1.071 415 I CB 1.682 39.740 38.000 0.097 0.000 1.210 415 I HN 0.292 nan 8.210 nan 0.000 0.450 416 E N 4.416 124.706 120.200 0.149 0.000 2.294 416 E HA 0.368 4.733 4.350 0.025 0.000 0.272 416 E C -0.584 176.072 176.600 0.093 0.000 0.896 416 E CA -0.458 56.002 56.400 0.100 0.000 0.802 416 E CB 1.599 31.339 29.700 0.066 0.000 1.267 416 E HN 0.570 nan 8.360 nan 0.000 0.406 417 T N 0.671 115.272 114.554 0.078 0.000 3.415 417 T HA 0.151 4.516 4.350 0.025 0.000 0.282 417 T C 0.908 175.650 174.700 0.071 0.000 1.007 417 T CA -0.309 61.866 62.100 0.125 0.000 0.958 417 T CB -0.294 68.634 68.868 0.099 0.000 1.171 417 T HN 0.669 nan 8.240 nan 0.000 0.500 418 H N 1.242 120.220 119.070 -0.153 0.000 2.357 418 H HA -0.096 4.475 4.556 0.026 0.000 0.296 418 H C 2.352 177.557 175.328 -0.204 0.000 1.108 418 H CA 1.484 57.418 56.048 -0.190 0.000 1.273 418 H CB -0.267 29.344 29.762 -0.252 0.000 1.367 418 H HN 0.581 nan 8.280 nan 0.000 0.498 419 G N 0.401 109.057 108.800 -0.240 0.000 2.559 419 G HA2 -0.114 3.860 3.960 0.025 0.000 0.216 419 G HA3 -0.114 3.860 3.960 0.025 0.000 0.216 419 G C 0.548 175.599 174.900 0.253 0.000 1.126 419 G CA 0.043 45.033 45.100 -0.183 0.000 0.778 419 G HN 0.171 nan 8.290 nan 0.000 0.543 420 M N 0.374 120.168 119.600 0.322 0.000 2.226 420 M HA 0.281 4.776 4.480 0.025 0.000 0.324 420 M C -0.329 176.009 176.300 0.064 0.000 1.112 420 M CA -0.288 55.114 55.300 0.170 0.000 1.176 420 M CB 1.349 33.990 32.600 0.067 0.000 1.430 420 M HN -0.218 nan 8.290 nan 0.000 0.462 421 V N 4.580 124.505 119.914 0.019 0.000 2.376 421 V HA 0.373 4.507 4.120 0.025 0.000 0.287 421 V C -1.898 174.188 176.094 -0.015 0.000 1.015 421 V CA -1.291 61.007 62.300 -0.003 0.000 0.834 421 V CB 1.584 33.400 31.823 -0.012 0.000 1.001 421 V HN 0.728 nan 8.190 nan 0.000 0.428 422 P HA 0.282 nan 4.420 nan 0.000 0.279 422 P C 1.018 178.321 177.300 0.005 0.000 1.282 422 P CA -0.611 62.486 63.100 -0.005 0.000 0.788 422 P CB 1.058 32.758 31.700 -0.000 0.000 1.139 423 M N 0.475 120.082 119.600 0.012 0.000 2.267 423 M HA -0.180 4.315 4.480 0.025 0.000 0.263 423 M C 1.083 177.401 176.300 0.031 0.000 1.063 423 M CA 1.846 57.161 55.300 0.024 0.000 1.090 423 M CB -0.492 32.111 32.600 0.004 0.000 1.392 423 M HN 0.372 nan 8.290 nan 0.000 0.422 424 N N -0.270 118.449 118.700 0.033 0.000 2.295 424 N HA -0.042 4.713 4.740 0.025 0.000 0.221 424 N C 1.046 176.539 175.510 -0.028 0.000 1.129 424 N CA 0.050 53.121 53.050 0.034 0.000 0.836 424 N CB -0.669 37.865 38.487 0.079 0.000 1.040 424 N HN 0.340 nan 8.380 nan 0.000 0.494 425 R N 0.295 120.764 120.500 -0.052 0.000 2.105 425 R HA 0.024 4.379 4.340 0.025 0.000 0.239 425 R C 1.289 177.486 176.300 -0.171 0.000 1.135 425 R CA 1.238 57.282 56.100 -0.094 0.000 0.967 425 R CB -0.009 30.229 30.300 -0.102 0.000 0.861 425 R HN 0.296 nan 8.270 nan 0.000 0.442 426 L N -0.561 120.502 121.223 -0.268 0.000 2.249 426 L HA 0.005 4.360 4.340 0.025 0.000 0.207 426 L C 2.329 179.057 176.870 -0.236 0.000 1.090 426 L CA 1.194 55.763 54.840 -0.451 0.000 0.802 426 L CB -0.263 41.322 42.059 -0.789 0.000 0.947 426 L HN 0.347 nan 8.230 nan 0.000 0.453 427 T N -4.568 109.872 114.554 -0.189 0.000 3.072 427 T HA -0.146 4.219 4.350 0.025 0.000 0.266 427 T C 1.207 175.807 174.700 -0.167 0.000 1.127 427 T CA 1.032 62.995 62.100 -0.228 0.000 1.107 427 T CB -0.173 68.480 68.868 -0.358 0.000 0.910 427 T HN 0.094 nan 8.240 nan 0.000 0.513 428 D N 0.965 121.313 120.400 -0.088 0.000 2.349 428 D HA 0.097 4.751 4.640 0.025 0.000 0.214 428 D C -0.237 176.052 176.300 -0.019 0.000 1.063 428 D CA -0.220 53.751 54.000 -0.048 0.000 0.847 428 D CB -0.070 40.724 40.800 -0.011 0.000 0.933 428 D HN 0.265 nan 8.370 nan 0.000 0.513 429 D N -0.008 120.390 120.400 -0.003 0.000 2.347 429 D HA 0.106 4.761 4.640 0.025 0.000 0.235 429 D C -1.633 174.720 176.300 0.088 0.000 1.149 429 D CA -2.184 51.852 54.000 0.060 0.000 0.850 429 D CB 1.915 42.789 40.800 0.123 0.000 1.061 429 D HN -0.002 nan 8.370 nan 0.000 0.487 430 P HA -0.111 nan 4.420 nan 0.000 0.218 430 P C 1.082 178.385 177.300 0.005 0.000 1.149 430 P CA 0.753 63.863 63.100 0.016 0.000 0.817 430 P CB 0.268 31.966 31.700 -0.002 0.000 0.785 431 R N -1.675 118.832 120.500 0.011 0.000 2.249 431 R HA -0.116 4.239 4.340 0.025 0.000 0.230 431 R C 1.530 177.705 176.300 -0.208 0.000 1.121 431 R CA 1.192 57.234 56.100 -0.096 0.000 0.997 431 R CB -0.661 29.584 30.300 -0.091 0.000 0.867 431 R HN 0.350 nan 8.270 nan 0.000 0.465 432 W N -0.179 121.063 121.300 -0.098 0.000 3.220 432 W HA 0.132 4.806 4.660 0.024 0.000 0.328 432 W C 1.549 178.001 176.519 -0.112 0.000 1.205 432 W CA -0.537 56.748 57.345 -0.102 0.000 1.773 432 W CB 0.035 29.430 29.460 -0.107 0.000 1.086 432 W HN -0.011 nan 8.180 nan 0.000 0.622 433 L N 2.237 123.479 121.223 0.032 0.000 2.079 433 L HA -0.071 4.284 4.340 0.025 0.000 0.210 433 L C -0.742 176.084 176.870 -0.073 0.000 1.081 433 L CA 2.271 57.090 54.840 -0.034 0.000 0.752 433 L CB -1.604 40.426 42.059 -0.048 0.000 0.896 433 L HN -0.223 nan 8.230 nan 0.000 0.433 434 P HA -0.105 nan 4.420 nan 0.000 0.214 434 P C 1.629 178.868 177.300 -0.103 0.000 1.162 434 P CA 2.080 65.111 63.100 -0.114 0.000 0.879 434 P CB -0.236 31.388 31.700 -0.127 0.000 0.786 435 A N -0.849 121.921 122.820 -0.085 0.000 1.902 435 A HA -0.196 4.138 4.320 0.025 0.000 0.217 435 A C 2.280 179.868 177.584 0.007 0.000 1.181 435 A CA 1.975 53.996 52.037 -0.028 0.000 0.623 435 A CB -1.526 17.492 19.000 0.030 0.000 0.818 435 A HN 0.097 nan 8.150 nan 0.000 0.443 436 M N 0.184 119.795 119.600 0.019 0.000 2.132 436 M HA -0.153 4.342 4.480 0.025 0.000 0.263 436 M C 2.589 178.825 176.300 -0.107 0.000 1.065 436 M CA 1.764 57.052 55.300 -0.021 0.000 1.122 436 M CB -0.388 32.181 32.600 -0.053 0.000 1.365 436 M HN 0.681 nan 8.290 nan 0.000 0.411 437 S N 0.180 115.789 115.700 -0.152 0.000 2.374 437 S HA -0.221 4.264 4.470 0.025 0.000 0.227 437 S C 1.643 176.062 174.600 -0.302 0.000 1.037 437 S CA 1.689 59.731 58.200 -0.263 0.000 1.024 437 S CB -0.640 62.384 63.200 -0.292 0.000 0.861 437 S HN 0.519 nan 8.310 nan 0.000 0.456 438 E N 0.749 120.823 120.200 -0.209 0.000 2.204 438 E HA -0.045 4.320 4.350 0.025 0.000 0.195 438 E C 2.434 178.941 176.600 -0.155 0.000 0.990 438 E CA 0.718 57.004 56.400 -0.189 0.000 0.821 438 E CB -0.046 29.583 29.700 -0.118 0.000 0.750 438 E HN 0.546 nan 8.360 nan 0.000 0.477 439 R N -0.355 120.082 120.500 -0.105 0.000 2.115 439 R HA -0.063 4.292 4.340 0.025 0.000 0.226 439 R C 2.186 178.438 176.300 -0.081 0.000 1.100 439 R CA 0.721 56.793 56.100 -0.048 0.000 0.980 439 R CB 0.149 30.457 30.300 0.013 0.000 0.875 439 R HN 0.037 nan 8.270 nan 0.000 0.445 440 V N 0.028 119.847 119.914 -0.159 0.000 2.331 440 V HA -0.177 3.958 4.120 0.025 0.000 0.242 440 V C 2.464 178.350 176.094 -0.347 0.000 1.034 440 V CA 2.142 64.317 62.300 -0.209 0.000 1.027 440 V CB -0.383 31.306 31.823 -0.223 0.000 0.667 440 V HN 0.513 nan 8.190 nan 0.000 0.457 441 T N -0.781 113.436 114.554 -0.562 0.000 2.867 441 T HA -0.209 4.156 4.350 0.025 0.000 0.268 441 T C 1.913 176.442 174.700 -0.285 0.000 1.057 441 T CA 1.271 62.954 62.100 -0.694 0.000 1.136 441 T CB -0.394 67.860 68.868 -1.022 0.000 0.874 441 T HN 0.414 nan 8.240 nan 0.000 0.466 442 R N 0.235 120.600 120.500 -0.225 0.000 2.148 442 R HA 0.169 4.524 4.340 0.025 0.000 0.227 442 R C 2.611 178.830 176.300 -0.134 0.000 1.103 442 R CA 1.475 57.482 56.100 -0.155 0.000 0.983 442 R CB -0.480 29.739 30.300 -0.135 0.000 0.874 442 R HN 0.492 nan 8.270 nan 0.000 0.451 443 M N 0.495 120.020 119.600 -0.125 0.000 2.123 443 M HA -0.122 4.373 4.480 0.025 0.000 0.263 443 M C 1.855 178.075 176.300 -0.134 0.000 1.069 443 M CA 1.587 56.839 55.300 -0.081 0.000 1.133 443 M CB 0.119 32.709 32.600 -0.017 0.000 1.356 443 M HN -0.026 nan 8.290 nan 0.000 0.415 444 V N 1.204 120.941 119.914 -0.295 0.000 2.295 444 V HA -0.294 3.840 4.120 0.025 0.000 0.246 444 V C 2.280 178.274 176.094 -0.166 0.000 1.049 444 V CA 2.106 64.123 62.300 -0.471 0.000 1.024 444 V CB -0.976 30.515 31.823 -0.553 0.000 0.648 444 V HN 0.595 nan 8.190 nan 0.000 0.447 445 Q N -0.557 119.177 119.800 -0.111 0.000 2.181 445 Q HA -0.250 4.105 4.340 0.025 0.000 0.205 445 Q C 2.433 178.353 176.000 -0.133 0.000 0.980 445 Q CA 1.768 57.513 55.803 -0.097 0.000 0.862 445 Q CB -0.230 28.472 28.738 -0.061 0.000 0.905 445 Q HN 0.558 nan 8.270 nan 0.000 0.429 446 R N 0.289 120.701 120.500 -0.146 0.000 2.080 446 R HA -0.090 4.265 4.340 0.025 0.000 0.222 446 R C 0.672 176.902 176.300 -0.117 0.000 1.107 446 R CA 1.347 57.338 56.100 -0.182 0.000 0.980 446 R CB 0.403 30.588 30.300 -0.192 0.000 0.879 446 R HN 0.149 nan 8.270 nan 0.000 0.439 447 D N -0.024 120.370 120.400 -0.010 0.000 2.389 447 D HA -0.023 4.632 4.640 0.025 0.000 0.206 447 D C 1.426 177.869 176.300 0.238 0.000 1.055 447 D CA 0.168 54.228 54.000 0.101 0.000 0.856 447 D CB 0.110 40.920 40.800 0.016 0.000 0.957 447 D HN 0.353 nan 8.370 nan 0.000 0.509 448 R N 0.983 121.641 120.500 0.264 0.000 2.261 448 R HA -0.074 4.281 4.340 0.025 0.000 0.236 448 R C 0.646 176.962 176.300 0.028 0.000 1.141 448 R CA 1.019 57.265 56.100 0.243 0.000 1.001 448 R CB -0.389 29.986 30.300 0.124 0.000 0.866 448 R HN -0.026 nan 8.270 nan 0.000 0.468 449 N N 0.306 118.953 118.700 -0.088 0.000 2.280 449 N HA 0.013 4.768 4.740 0.025 0.000 0.192 449 N C -0.538 174.861 175.510 -0.185 0.000 1.109 449 N CA 0.190 53.146 53.050 -0.156 0.000 0.855 449 N CB 0.157 38.512 38.487 -0.220 0.000 0.974 449 N HN 0.345 nan 8.380 nan 0.000 0.482 450 H N 1.263 120.274 119.070 -0.098 0.000 2.668 450 H HA 0.118 4.688 4.556 0.024 0.000 0.303 450 H C -1.272 173.905 175.328 -0.252 0.000 1.074 450 H CA -1.209 54.760 56.048 -0.131 0.000 1.406 450 H CB 1.738 31.467 29.762 -0.054 0.000 1.442 450 H HN 0.039 nan 8.280 nan 0.000 0.482 451 P HA -0.148 nan 4.420 nan 0.000 0.221 451 P C 1.510 178.336 177.300 -0.790 0.000 1.150 451 P CA 0.978 63.729 63.100 -0.583 0.000 0.800 451 P CB 0.307 31.426 31.700 -0.969 0.000 0.787 452 S N -0.558 114.746 115.700 -0.660 0.000 2.399 452 S HA -0.050 4.435 4.470 0.025 0.000 0.231 452 S C 1.116 175.662 174.600 -0.091 0.000 1.022 452 S CA 0.426 58.403 58.200 -0.373 0.000 0.983 452 S CB -1.534 61.610 63.200 -0.093 0.000 0.803 452 S HN -0.062 nan 8.310 nan 0.000 0.480 453 V N 3.856 123.704 119.914 -0.110 0.000 2.421 453 V HA 0.194 4.329 4.120 0.025 0.000 0.271 453 V C 1.171 177.128 176.094 -0.229 0.000 1.031 453 V CA 0.185 62.395 62.300 -0.149 0.000 1.032 453 V CB 0.264 31.932 31.823 -0.259 0.000 1.009 453 V HN 0.654 nan 8.190 nan 0.000 0.477 454 I N 2.801 123.294 120.570 -0.128 0.000 4.181 454 I HA 0.500 4.685 4.170 0.025 0.000 0.331 454 I C 0.398 176.399 176.117 -0.194 0.000 1.312 454 I CA 0.546 61.776 61.300 -0.117 0.000 1.146 454 I CB 0.461 38.480 38.000 0.031 0.000 1.074 454 I HN 0.327 nan 8.210 nan 0.000 0.402 455 I N 0.099 120.523 120.570 -0.242 0.000 2.752 455 I HA 0.335 4.520 4.170 0.025 0.000 0.295 455 I C -1.637 174.359 176.117 -0.200 0.000 1.219 455 I CA -0.480 60.712 61.300 -0.181 0.000 1.030 455 I CB 2.236 40.233 38.000 -0.005 0.000 1.259 455 I HN 0.023 nan 8.210 nan 0.000 0.423 456 W N 3.624 124.973 121.300 0.083 0.000 2.496 456 W HA 0.594 5.266 4.660 0.021 0.000 0.327 456 W C 0.379 176.965 176.519 0.111 0.000 1.086 456 W CA -0.677 56.724 57.345 0.093 0.000 1.222 456 W CB 1.661 31.172 29.460 0.086 0.000 1.304 456 W HN 0.302 nan 8.180 nan 0.000 0.547 457 S N 2.999 118.932 115.700 0.387 0.000 2.482 457 S HA 0.377 4.862 4.470 0.025 0.000 0.303 457 S C 0.406 175.173 174.600 0.279 0.000 1.091 457 S CA -0.713 57.666 58.200 0.299 0.000 1.057 457 S CB 0.804 64.132 63.200 0.213 0.000 1.031 457 S HN 0.596 nan 8.310 nan 0.000 0.485 458 L N 4.173 125.558 121.223 0.270 0.000 2.622 458 L HA 0.289 4.644 4.340 0.025 0.000 0.233 458 L C 1.457 178.392 176.870 0.107 0.000 1.156 458 L CA 0.599 55.516 54.840 0.127 0.000 0.866 458 L CB -1.224 40.809 42.059 -0.044 0.000 0.980 458 L HN 1.006 nan 8.230 nan 0.000 0.448 459 G N -0.127 108.829 108.800 0.260 0.000 2.280 459 G HA2 -0.123 3.852 3.960 0.025 0.000 0.277 459 G HA3 -0.123 3.852 3.960 0.025 0.000 0.277 459 G C -1.617 173.492 174.900 0.349 0.000 1.288 459 G CA -0.537 44.719 45.100 0.260 0.000 1.075 459 G HN 0.165 nan 8.290 nan 0.000 0.480 460 N N 0.156 119.004 118.700 0.246 0.000 2.367 460 N HA 0.469 5.223 4.740 0.025 0.000 0.278 460 N C -0.466 175.008 175.510 -0.060 0.000 1.117 460 N CA 0.100 53.152 53.050 0.003 0.000 0.867 460 N CB 1.604 39.834 38.487 -0.429 0.000 1.649 460 N HN 0.877 nan 8.380 nan 0.000 0.479 461 E N 0.772 120.846 120.200 -0.209 0.000 2.160 461 E HA -0.180 4.185 4.350 0.025 0.000 0.180 461 E C -0.845 175.675 176.600 -0.134 0.000 1.452 461 E CA 0.787 56.976 56.400 -0.352 0.000 0.683 461 E CB -1.286 27.958 29.700 -0.761 0.000 1.072 461 E HN 0.432 nan 8.360 nan 0.000 0.332 462 S N 0.021 115.785 115.700 0.106 0.000 2.902 462 S HA 0.405 4.890 4.470 0.025 0.000 0.250 462 S C 0.651 175.409 174.600 0.263 0.000 1.046 462 S CA -0.170 58.140 58.200 0.184 0.000 1.069 462 S CB 1.386 64.747 63.200 0.267 0.000 0.967 462 S HN 0.847 nan 8.310 nan 0.000 0.530 463 G N 2.084 110.974 108.800 0.150 0.000 2.575 463 G HA2 -0.268 3.707 3.960 0.025 0.000 0.267 463 G HA3 -0.268 3.707 3.960 0.025 0.000 0.267 463 G C -0.518 174.551 174.900 0.282 0.000 1.264 463 G CA 0.002 45.192 45.100 0.150 0.000 0.935 463 G HN 0.627 nan 8.290 nan 0.000 0.568 464 H N 0.965 120.150 119.070 0.193 0.000 2.800 464 H HA 0.602 5.174 4.556 0.027 0.000 0.322 464 H C 0.281 175.782 175.328 0.287 0.000 0.979 464 H CA 0.373 56.562 56.048 0.235 0.000 1.277 464 H CB 0.661 30.500 29.762 0.128 0.000 1.484 464 H HN 1.131 nan 8.280 nan 0.000 0.512 465 G N 1.542 110.327 108.800 -0.025 0.000 2.600 465 G HA2 0.474 4.449 3.960 0.025 0.000 0.303 465 G HA3 0.474 4.449 3.960 0.025 0.000 0.303 465 G C 0.564 175.281 174.900 -0.304 0.000 1.253 465 G CA -0.178 44.827 45.100 -0.159 0.000 0.974 465 G HN 0.647 nan 8.290 nan 0.000 0.483 466 A N 0.350 123.093 122.820 -0.128 0.000 2.019 466 A HA -0.078 4.257 4.320 0.025 0.000 0.219 466 A C 2.110 179.646 177.584 -0.081 0.000 1.164 466 A CA 1.768 53.771 52.037 -0.057 0.000 0.644 466 A CB -0.408 18.595 19.000 0.004 0.000 0.805 466 A HN 0.533 nan 8.150 nan 0.000 0.449 467 N N -0.180 118.427 118.700 -0.155 0.000 2.223 467 N HA -0.145 4.610 4.740 0.025 0.000 0.185 467 N C 1.356 176.757 175.510 -0.181 0.000 1.016 467 N CA 1.685 54.630 53.050 -0.176 0.000 0.863 467 N CB -0.660 37.687 38.487 -0.233 0.000 0.983 467 N HN 0.787 nan 8.380 nan 0.000 0.429 468 H N 0.238 119.193 119.070 -0.191 0.000 2.357 468 H HA -0.022 4.549 4.556 0.025 0.000 0.301 468 H C 1.253 176.569 175.328 -0.020 0.000 1.082 468 H CA 1.223 57.151 56.048 -0.199 0.000 1.342 468 H CB 0.175 29.719 29.762 -0.365 0.000 1.389 468 H HN 0.184 nan 8.280 nan 0.000 0.511 469 D N 0.474 120.952 120.400 0.131 0.000 2.097 469 D HA -0.149 4.506 4.640 0.025 0.000 0.195 469 D C 2.348 178.784 176.300 0.227 0.000 0.989 469 D CA 1.224 55.339 54.000 0.192 0.000 0.827 469 D CB -0.505 40.398 40.800 0.170 0.000 0.966 469 D HN 0.416 nan 8.370 nan 0.000 0.456 470 A N 0.891 123.792 122.820 0.135 0.000 1.883 470 A HA -0.167 4.168 4.320 0.025 0.000 0.217 470 A C 2.451 180.131 177.584 0.160 0.000 1.186 470 A CA 1.203 53.314 52.037 0.123 0.000 0.624 470 A CB -0.863 18.167 19.000 0.049 0.000 0.822 470 A HN 0.215 nan 8.150 nan 0.000 0.444 471 L N -2.329 118.968 121.223 0.124 0.000 2.109 471 L HA -0.141 4.213 4.340 0.025 0.000 0.207 471 L C 2.574 179.575 176.870 0.219 0.000 1.086 471 L CA 1.560 56.468 54.840 0.113 0.000 0.760 471 L CB -0.705 41.344 42.059 -0.016 0.000 0.910 471 L HN 0.600 nan 8.230 nan 0.000 0.437 472 Y N 1.294 121.665 120.300 0.118 0.000 2.128 472 Y HA -0.348 4.213 4.550 0.019 0.000 0.284 472 Y C 2.831 178.817 175.900 0.144 0.000 1.154 472 Y CA 1.911 60.094 58.100 0.138 0.000 1.149 472 Y CB -0.168 38.378 38.460 0.143 0.000 0.976 472 Y HN -0.019 nan 8.280 nan 0.000 0.505 473 R N -0.185 120.450 120.500 0.225 0.000 2.096 473 R HA -0.209 4.146 4.340 0.025 0.000 0.235 473 R C 2.041 178.366 176.300 0.043 0.000 1.127 473 R CA 1.963 58.121 56.100 0.098 0.000 0.968 473 R CB -1.465 28.951 30.300 0.192 0.000 0.861 473 R HN 0.637 nan 8.270 nan 0.000 0.440 474 W N 0.656 121.920 121.300 -0.061 0.000 2.333 474 W HA -0.160 4.515 4.660 0.024 0.000 0.316 474 W C 1.677 178.110 176.519 -0.143 0.000 1.215 474 W CA 2.143 59.436 57.345 -0.087 0.000 1.278 474 W CB -0.344 29.061 29.460 -0.091 0.000 1.154 474 W HN 0.096 nan 8.180 nan 0.000 0.486 475 I N 0.748 121.357 120.570 0.065 0.000 2.179 475 I HA -0.360 3.824 4.170 0.025 0.000 0.242 475 I C 2.488 178.427 176.117 -0.298 0.000 1.088 475 I CA 1.385 62.557 61.300 -0.214 0.000 1.357 475 I CB -0.783 37.150 38.000 -0.112 0.000 1.051 475 I HN -0.105 nan 8.210 nan 0.000 0.409 476 K N 0.452 120.686 120.400 -0.278 0.000 2.113 476 K HA -0.167 4.168 4.320 0.025 0.000 0.208 476 K C 2.303 178.776 176.600 -0.213 0.000 1.047 476 K CA 1.404 57.538 56.287 -0.255 0.000 0.928 476 K CB -0.557 31.749 32.500 -0.323 0.000 0.716 476 K HN 0.205 nan 8.250 nan 0.000 0.446 477 S N 0.549 116.091 115.700 -0.264 0.000 2.357 477 S HA -0.086 4.399 4.470 0.025 0.000 0.221 477 S C 2.032 176.420 174.600 -0.352 0.000 1.031 477 S CA 1.222 59.261 58.200 -0.267 0.000 0.982 477 S CB -0.072 62.948 63.200 -0.300 0.000 0.853 477 S HN 0.269 nan 8.310 nan 0.000 0.458 478 V N -0.369 119.185 119.914 -0.600 0.000 2.719 478 V HA 0.155 4.290 4.120 0.025 0.000 0.252 478 V C 0.307 176.172 176.094 -0.383 0.000 1.065 478 V CA 1.446 63.382 62.300 -0.607 0.000 1.086 478 V CB -0.288 30.907 31.823 -1.046 0.000 0.700 478 V HN 0.373 nan 8.190 nan 0.000 0.467 479 D N 0.659 120.889 120.400 -0.283 0.000 2.381 479 D HA 0.360 5.014 4.640 0.025 0.000 0.245 479 D C -2.243 174.055 176.300 -0.004 0.000 1.297 479 D CA -1.707 52.240 54.000 -0.088 0.000 0.931 479 D CB 1.684 42.529 40.800 0.074 0.000 1.334 479 D HN 0.206 nan 8.370 nan 0.000 0.535 480 P HA -0.000 nan 4.420 nan 0.000 0.245 480 P C 1.033 178.350 177.300 0.029 0.000 1.212 480 P CA 0.307 63.401 63.100 -0.009 0.000 0.774 480 P CB 0.102 31.788 31.700 -0.024 0.000 0.999 481 S N -1.067 114.658 115.700 0.042 0.000 2.561 481 S HA 0.054 4.539 4.470 0.025 0.000 0.225 481 S C 0.853 175.472 174.600 0.031 0.000 0.977 481 S CA -0.117 58.110 58.200 0.044 0.000 0.926 481 S CB -0.437 62.784 63.200 0.034 0.000 0.769 481 S HN 0.100 nan 8.310 nan 0.000 0.533 482 R N 0.892 121.420 120.500 0.047 0.000 2.673 482 R HA 0.538 4.893 4.340 0.025 0.000 0.281 482 R C -3.297 173.036 176.300 0.054 0.000 0.991 482 R CA -2.292 53.797 56.100 -0.018 0.000 0.896 482 R CB 1.323 31.477 30.300 -0.242 0.000 1.201 482 R HN 0.117 nan 8.270 nan 0.000 0.457 483 P HA 0.101 nan 4.420 nan 0.000 0.272 483 P C -0.755 176.644 177.300 0.165 0.000 1.230 483 P CA -0.421 62.734 63.100 0.092 0.000 0.788 483 P CB 0.651 32.395 31.700 0.074 0.000 0.949 484 V N 2.513 122.553 119.914 0.211 0.000 2.459 484 V HA 0.415 4.550 4.120 0.025 0.000 0.295 484 V C 0.258 176.546 176.094 0.323 0.000 1.029 484 V CA -0.325 62.153 62.300 0.296 0.000 0.874 484 V CB 0.993 32.955 31.823 0.231 0.000 0.985 484 V HN 0.621 nan 8.190 nan 0.000 0.438 485 Q N 3.932 123.905 119.800 0.288 0.000 2.433 485 Q HA 0.801 5.156 4.340 0.025 0.000 0.279 485 Q C -1.876 174.300 176.000 0.294 0.000 1.105 485 Q CA -0.921 55.022 55.803 0.232 0.000 0.815 485 Q CB 2.998 31.817 28.738 0.135 0.000 1.403 485 Q HN 0.650 nan 8.270 nan 0.000 0.435 486 Y N 0.344 120.682 120.300 0.063 0.000 2.409 486 Y HA 0.154 4.717 4.550 0.022 0.000 0.321 486 Y C -0.733 175.142 175.900 -0.041 0.000 1.209 486 Y CA -0.758 57.349 58.100 0.011 0.000 1.086 486 Y CB 2.073 40.531 38.460 -0.004 0.000 1.320 486 Y HN 0.949 nan 8.280 nan 0.000 0.440 487 E N 3.313 123.028 120.200 -0.808 0.000 2.415 487 E HA 0.170 4.535 4.350 0.025 0.000 0.197 487 E C 0.587 176.773 176.600 -0.689 0.000 1.007 487 E CA 0.613 56.670 56.400 -0.571 0.000 0.890 487 E CB 0.352 29.833 29.700 -0.365 0.000 0.891 487 E HN 0.882 nan 8.360 nan 0.000 0.496 488 G N 0.024 107.995 108.800 -1.382 0.000 2.559 488 G HA2 0.243 4.217 3.960 0.025 0.000 0.235 488 G HA3 0.243 4.217 3.960 0.025 0.000 0.235 488 G C 0.784 175.574 174.900 -0.184 0.000 1.266 488 G CA 0.262 44.964 45.100 -0.664 0.000 0.847 488 G HN 0.329 nan 8.290 nan 0.000 0.583 489 G N -0.692 108.088 108.800 -0.034 0.000 2.221 489 G HA2 0.234 4.209 3.960 0.025 0.000 0.265 489 G HA3 0.234 4.209 3.960 0.025 0.000 0.265 489 G C 1.232 176.151 174.900 0.032 0.000 1.041 489 G CA 1.050 46.185 45.100 0.058 0.000 0.807 489 G HN 2.566 nan 8.290 nan 0.000 0.502 490 G N -1.807 107.012 108.800 0.031 0.000 2.296 490 G HA2 0.425 4.400 3.960 0.025 0.000 0.188 490 G HA3 0.425 4.400 3.960 0.025 0.000 0.188 490 G C 1.050 176.079 174.900 0.216 0.000 1.000 490 G CA 1.403 46.584 45.100 0.134 0.000 0.672 490 G HN 2.331 nan 8.290 nan 0.000 0.483 491 A N -0.080 122.752 122.820 0.020 0.000 3.396 491 A HA -0.112 4.223 4.320 0.025 0.000 0.267 491 A C 1.053 178.562 177.584 -0.125 0.000 1.139 491 A CA 2.650 54.625 52.037 -0.103 0.000 1.115 491 A CB -1.833 17.064 19.000 -0.172 0.000 1.133 491 A HN 2.137 nan 8.150 nan 0.000 0.920 492 D N -0.938 119.475 120.400 0.022 0.000 2.785 492 D HA 0.306 4.961 4.640 0.025 0.000 0.324 492 D C 0.414 176.723 176.300 0.015 0.000 1.523 492 D CA 0.906 54.923 54.000 0.028 0.000 0.789 492 D CB -1.119 39.808 40.800 0.212 0.000 1.171 492 D HN 0.813 nan 8.370 nan 0.000 0.447 493 T N -2.289 112.236 114.554 -0.049 0.000 2.773 493 T HA 0.209 4.574 4.350 0.025 0.000 0.337 493 T C 1.505 176.121 174.700 -0.140 0.000 1.086 493 T CA 0.598 62.608 62.100 -0.150 0.000 0.998 493 T CB 0.452 69.113 68.868 -0.345 0.000 1.281 493 T HN 0.067 nan 8.240 nan 0.000 0.525 494 T N -2.712 111.729 114.554 -0.189 0.000 3.148 494 T HA 0.379 4.744 4.350 0.025 0.000 0.253 494 T C 1.414 175.894 174.700 -0.367 0.000 1.134 494 T CA 0.080 62.064 62.100 -0.194 0.000 1.051 494 T CB -0.384 68.415 68.868 -0.115 0.000 0.959 494 T HN 0.797 nan 8.240 nan 0.000 0.525 495 A N 0.500 123.189 122.820 -0.219 0.000 2.460 495 A HA 0.521 4.856 4.320 0.025 0.000 0.258 495 A C 0.779 178.238 177.584 -0.208 0.000 1.300 495 A CA -0.338 51.504 52.037 -0.326 0.000 0.913 495 A CB 0.145 19.240 19.000 0.159 0.000 1.031 495 A HN 0.403 nan 8.150 nan 0.000 0.512 496 T N -1.151 113.308 114.554 -0.157 0.000 2.921 496 T HA 0.352 4.717 4.350 0.025 0.000 0.297 496 T C -0.542 174.213 174.700 0.090 0.000 1.013 496 T CA -0.426 61.718 62.100 0.074 0.000 0.990 496 T CB 1.217 70.117 68.868 0.054 0.000 1.023 496 T HN 0.093 nan 8.240 nan 0.000 0.447 497 D N 2.858 123.386 120.400 0.214 0.000 2.347 497 D HA 0.243 4.898 4.640 0.025 0.000 0.213 497 D C 0.326 176.669 176.300 0.073 0.000 0.985 497 D CA 0.801 54.902 54.000 0.167 0.000 0.879 497 D CB 0.348 41.266 40.800 0.197 0.000 0.919 497 D HN 0.534 nan 8.370 nan 0.000 0.526 498 I N 0.821 121.416 120.570 0.041 0.000 2.582 498 I HA 0.243 4.427 4.170 0.025 0.000 0.292 498 I C -0.211 175.849 176.117 -0.095 0.000 1.066 498 I CA -0.878 60.408 61.300 -0.023 0.000 1.053 498 I CB 2.892 40.891 38.000 -0.001 0.000 1.241 498 I HN -0.343 nan 8.210 nan 0.000 0.421 499 I N 5.517 125.980 120.570 -0.178 0.000 2.505 499 I HA 0.049 4.234 4.170 0.025 0.000 0.287 499 I C 0.328 176.244 176.117 -0.335 0.000 1.104 499 I CA 0.010 61.102 61.300 -0.345 0.000 1.387 499 I CB 0.164 37.850 38.000 -0.524 0.000 1.404 499 I HN 0.710 nan 8.210 nan 0.000 0.528 500 C N 5.413 124.529 119.300 -0.307 0.000 3.114 500 C HA 0.437 4.911 4.460 0.025 0.000 0.215 500 C C -2.066 172.797 174.990 -0.213 0.000 1.759 500 C CA -2.239 56.654 59.018 -0.208 0.000 1.455 500 C CB -0.967 26.712 27.740 -0.101 0.000 2.528 500 C HN 0.429 nan 8.230 nan 0.000 0.511 501 P HA 0.210 nan 4.420 nan 0.000 0.270 501 P C -0.312 176.942 177.300 -0.076 0.000 1.227 501 P CA 0.663 63.667 63.100 -0.160 0.000 0.788 501 P CB 0.623 32.263 31.700 -0.101 0.000 0.926 502 M N -0.168 119.411 119.600 -0.034 0.000 2.294 502 M HA 0.447 4.942 4.480 0.025 0.000 0.335 502 M C -0.530 175.715 176.300 -0.093 0.000 1.079 502 M CA -0.713 54.453 55.300 -0.223 0.000 0.982 502 M CB 1.255 33.722 32.600 -0.222 0.000 1.651 502 M HN 0.345 nan 8.290 nan 0.000 0.437 503 Y N -0.673 119.811 120.300 0.307 0.000 4.604 503 Y HA -0.235 4.330 4.550 0.026 0.000 0.230 503 Y C 0.614 176.707 175.900 0.323 0.000 1.066 503 Y CA 0.435 58.723 58.100 0.314 0.000 1.990 503 Y CB -2.281 36.343 38.460 0.272 0.000 1.619 503 Y HN 0.975 nan 8.280 nan 0.000 0.649 504 A N 1.145 124.195 122.820 0.383 0.000 2.462 504 A HA 0.538 4.873 4.320 0.025 0.000 0.243 504 A C 0.720 178.533 177.584 0.381 0.000 1.076 504 A CA -0.356 51.917 52.037 0.392 0.000 0.773 504 A CB 0.350 19.631 19.000 0.468 0.000 1.010 504 A HN 0.422 nan 8.150 nan 0.000 0.493 505 R N 1.293 121.941 120.500 0.247 0.000 2.543 505 R HA 0.338 4.693 4.340 0.025 0.000 0.268 505 R C 1.165 177.439 176.300 -0.044 0.000 1.067 505 R CA -0.665 55.507 56.100 0.120 0.000 1.142 505 R CB 0.630 30.973 30.300 0.072 0.000 1.110 505 R HN 0.489 nan 8.270 nan 0.000 0.549 506 V N 0.813 120.549 119.914 -0.295 0.000 2.237 506 V HA -0.257 3.878 4.120 0.025 0.000 0.245 506 V C 1.018 177.002 176.094 -0.185 0.000 1.046 506 V CA 1.960 64.045 62.300 -0.358 0.000 1.007 506 V CB -0.270 31.238 31.823 -0.526 0.000 0.638 506 V HN 0.767 nan 8.190 nan 0.000 0.445 507 D N -1.617 118.707 120.400 -0.126 0.000 2.455 507 D HA 0.094 4.749 4.640 0.025 0.000 0.228 507 D C 0.990 177.274 176.300 -0.026 0.000 1.070 507 D CA 0.052 54.012 54.000 -0.067 0.000 0.881 507 D CB 0.478 41.243 40.800 -0.059 0.000 1.087 507 D HN 0.463 nan 8.370 nan 0.000 0.498 508 E N 2.085 122.272 120.200 -0.020 0.000 2.152 508 E HA 0.067 4.431 4.350 0.025 0.000 0.285 508 E C -0.728 175.868 176.600 -0.007 0.000 1.043 508 E CA -0.497 55.897 56.400 -0.009 0.000 0.839 508 E CB 0.742 30.439 29.700 -0.004 0.000 1.069 508 E HN -0.083 nan 8.360 nan 0.000 0.399 509 D N 3.587 123.980 120.400 -0.011 0.000 2.339 509 D HA 0.096 4.751 4.640 0.025 0.000 0.245 509 D C -0.410 175.764 176.300 -0.210 0.000 1.115 509 D CA 0.245 54.222 54.000 -0.040 0.000 0.917 509 D CB 1.003 41.843 40.800 0.066 0.000 1.192 509 D HN 0.419 nan 8.370 nan 0.000 0.428 510 Q N 1.033 120.566 119.800 -0.446 0.000 2.932 510 Q HA 0.237 4.591 4.340 0.025 0.000 0.248 510 Q C -2.244 173.034 176.000 -1.203 0.000 0.982 510 Q CA -1.527 53.808 55.803 -0.780 0.000 0.730 510 Q CB 2.091 30.377 28.738 -0.754 0.000 1.249 510 Q HN 0.122 nan 8.270 nan 0.000 0.476 511 P HA -0.047 nan 4.420 nan 0.000 0.246 511 P C -0.719 176.213 177.300 -0.613 0.000 1.675 511 P CA 0.071 62.690 63.100 -0.803 0.000 0.908 511 P CB -0.764 30.687 31.700 -0.416 0.000 1.890 512 F N 1.498 121.262 119.950 -0.310 0.000 2.545 512 F HA 0.198 4.739 4.527 0.023 0.000 0.348 512 F C -1.218 174.465 175.800 -0.194 0.000 1.163 512 F CA -2.524 55.358 58.000 -0.198 0.000 1.331 512 F CB -0.961 37.951 39.000 -0.146 0.000 1.138 512 F HN 0.027 nan 8.300 nan 0.000 0.602 513 P HA 0.155 nan 4.420 nan 0.000 0.271 513 P C 0.373 177.689 177.300 0.027 0.000 1.218 513 P CA 0.814 63.926 63.100 0.021 0.000 0.780 513 P CB 1.263 32.976 31.700 0.021 0.000 0.901 514 A N 2.500 125.327 122.820 0.012 0.000 2.617 514 A HA -0.257 4.078 4.320 0.025 0.000 0.236 514 A C 0.782 178.377 177.584 0.017 0.000 0.514 514 A CA 2.203 54.251 52.037 0.018 0.000 1.126 514 A CB -2.761 16.250 19.000 0.019 0.000 1.393 514 A HN 0.677 nan 8.150 nan 0.000 0.693 515 V N -3.064 116.859 119.914 0.015 0.000 2.562 515 V HA 0.527 4.662 4.120 0.025 0.000 0.274 515 V C -2.061 174.039 176.094 0.010 0.000 1.075 515 V CA -1.253 61.062 62.300 0.025 0.000 1.204 515 V CB 0.399 32.239 31.823 0.029 0.000 1.478 515 V HN 0.551 nan 8.190 nan 0.000 0.622 516 P HA 0.132 nan 4.420 nan 0.000 0.269 516 P C -0.541 176.345 177.300 -0.690 0.000 1.211 516 P CA 0.332 63.045 63.100 -0.646 0.000 0.781 516 P CB 0.949 31.789 31.700 -1.434 0.000 0.877 517 K N 2.173 122.174 120.400 -0.664 0.000 2.484 517 K HA 0.193 4.528 4.320 0.025 0.000 0.226 517 K C -0.449 175.841 176.600 -0.516 0.000 1.031 517 K CA -0.290 55.820 56.287 -0.295 0.000 1.026 517 K CB 0.321 32.925 32.500 0.174 0.000 1.412 517 K HN 0.470 nan 8.250 nan 0.000 0.492 518 W N 1.316 122.206 121.300 -0.684 0.000 2.126 518 W HA 0.045 4.721 4.660 0.026 0.000 0.346 518 W C 1.365 177.852 176.519 -0.052 0.000 1.279 518 W CA -0.281 56.773 57.345 -0.484 0.000 1.259 518 W CB 0.446 29.380 29.460 -0.878 0.000 1.133 518 W HN 0.354 nan 8.180 nan 0.000 0.592 519 S N 3.115 118.945 115.700 0.215 0.000 2.558 519 S HA -0.092 4.393 4.470 0.025 0.000 0.291 519 S C 1.236 175.981 174.600 0.242 0.000 1.306 519 S CA -0.024 58.267 58.200 0.151 0.000 1.056 519 S CB 0.185 63.427 63.200 0.070 0.000 0.836 519 S HN 0.502 nan 8.310 nan 0.000 0.504 520 I N 2.213 122.891 120.570 0.181 0.000 2.286 520 I HA -0.144 4.041 4.170 0.025 0.000 0.248 520 I C 2.079 178.232 176.117 0.060 0.000 1.115 520 I CA 1.335 62.749 61.300 0.189 0.000 1.392 520 I CB -0.444 37.618 38.000 0.105 0.000 1.065 520 I HN 0.589 nan 8.210 nan 0.000 0.418 521 K N 1.446 121.774 120.400 -0.120 0.000 2.097 521 K HA -0.162 4.173 4.320 0.025 0.000 0.206 521 K C 2.294 178.891 176.600 -0.005 0.000 1.049 521 K CA 1.723 57.854 56.287 -0.260 0.000 0.933 521 K CB -0.200 32.050 32.500 -0.415 0.000 0.717 521 K HN 0.407 nan 8.250 nan 0.000 0.442 522 K N -0.071 120.353 120.400 0.040 0.000 2.167 522 K HA -0.150 4.185 4.320 0.025 0.000 0.203 522 K C 1.801 178.432 176.600 0.051 0.000 1.052 522 K CA 0.678 56.980 56.287 0.025 0.000 0.956 522 K CB -0.040 32.447 32.500 -0.020 0.000 0.735 522 K HN 0.204 nan 8.250 nan 0.000 0.451 523 W N 2.112 123.400 121.300 -0.019 0.000 2.338 523 W HA -0.174 4.497 4.660 0.018 0.000 0.304 523 W C 1.612 178.112 176.519 -0.032 0.000 1.212 523 W CA 1.099 58.440 57.345 -0.006 0.000 1.264 523 W CB -0.571 28.956 29.460 0.111 0.000 1.142 523 W HN 0.076 nan 8.180 nan 0.000 0.512 524 L N 0.740 122.127 121.223 0.273 0.000 2.083 524 L HA -0.220 4.135 4.340 0.025 0.000 0.209 524 L C 2.199 179.138 176.870 0.114 0.000 1.083 524 L CA 1.915 56.848 54.840 0.154 0.000 0.752 524 L CB -1.004 41.132 42.059 0.128 0.000 0.899 524 L HN -0.033 nan 8.230 nan 0.000 0.433 525 S N -1.004 114.749 115.700 0.088 0.000 2.622 525 S HA 0.253 4.738 4.470 0.025 0.000 0.236 525 S C 0.525 175.115 174.600 -0.015 0.000 0.956 525 S CA -0.535 57.688 58.200 0.038 0.000 0.971 525 S CB -0.604 62.619 63.200 0.039 0.000 0.782 525 S HN 0.150 nan 8.310 nan 0.000 0.468 526 L N 1.858 123.064 121.223 -0.029 0.000 2.506 526 L HA 0.220 4.574 4.340 0.025 0.000 0.281 526 L C -2.179 174.654 176.870 -0.061 0.000 1.228 526 L CA -1.733 53.036 54.840 -0.119 0.000 0.850 526 L CB -0.329 41.619 42.059 -0.186 0.000 1.110 526 L HN 0.058 nan 8.230 nan 0.000 0.496 527 P HA -0.031 nan 4.420 nan 0.000 0.260 527 P C 0.755 178.043 177.300 -0.020 0.000 1.172 527 P CA 1.060 64.132 63.100 -0.047 0.000 0.760 527 P CB 0.497 32.163 31.700 -0.057 0.000 0.773 528 G N 1.721 110.517 108.800 -0.007 0.000 2.234 528 G HA2 -0.284 3.691 3.960 0.025 0.000 0.260 528 G HA3 -0.284 3.691 3.960 0.025 0.000 0.260 528 G C 0.299 175.211 174.900 0.021 0.000 0.987 528 G CA 0.170 45.273 45.100 0.007 0.000 0.625 528 G HN 0.619 nan 8.290 nan 0.000 0.532 529 E N 1.011 121.229 120.200 0.030 0.000 2.338 529 E HA 0.591 4.956 4.350 0.025 0.000 0.272 529 E C 1.357 177.979 176.600 0.038 0.000 1.029 529 E CA 0.761 57.192 56.400 0.051 0.000 0.872 529 E CB 0.784 30.544 29.700 0.099 0.000 1.015 529 E HN 0.573 nan 8.360 nan 0.000 0.417 530 T N 0.372 114.945 114.554 0.032 0.000 3.131 530 T HA 0.313 4.677 4.350 0.025 0.000 0.283 530 T C 0.545 175.254 174.700 0.015 0.000 0.906 530 T CA -0.478 61.636 62.100 0.023 0.000 0.882 530 T CB 0.055 68.936 68.868 0.022 0.000 1.208 530 T HN 0.254 nan 8.240 nan 0.000 0.561 531 R N 2.350 122.855 120.500 0.007 0.000 2.707 531 R HA 0.456 4.811 4.340 0.025 0.000 0.270 531 R C -2.510 173.773 176.300 -0.029 0.000 1.083 531 R CA -1.683 54.412 56.100 -0.008 0.000 1.182 531 R CB -0.015 30.272 30.300 -0.020 0.000 1.084 531 R HN 0.235 nan 8.270 nan 0.000 0.528 532 P HA 0.097 nan 4.420 nan 0.000 0.276 532 P C -1.089 176.148 177.300 -0.106 0.000 1.244 532 P CA -0.167 62.896 63.100 -0.062 0.000 0.801 532 P CB 0.690 32.351 31.700 -0.065 0.000 1.006 533 L N 2.624 123.765 121.223 -0.136 0.000 2.325 533 L HA 0.577 4.932 4.340 0.025 0.000 0.281 533 L C -0.966 175.771 176.870 -0.221 0.000 1.004 533 L CA -0.616 54.107 54.840 -0.195 0.000 0.823 533 L CB 0.511 42.453 42.059 -0.194 0.000 1.236 533 L HN 0.235 nan 8.230 nan 0.000 0.415 534 I N 5.655 126.098 120.570 -0.212 0.000 2.500 534 I HA 0.243 4.427 4.170 0.025 0.000 0.286 534 I C -0.824 175.205 176.117 -0.147 0.000 1.063 534 I CA -0.572 60.584 61.300 -0.241 0.000 1.062 534 I CB 2.011 39.924 38.000 -0.145 0.000 1.223 534 I HN 0.459 nan 8.210 nan 0.000 0.435 535 L N 5.638 126.744 121.223 -0.195 0.000 2.462 535 L HA 0.018 4.373 4.340 0.025 0.000 0.272 535 L C 1.495 178.449 176.870 0.140 0.000 1.166 535 L CA -0.084 54.715 54.840 -0.068 0.000 0.880 535 L CB 0.510 42.504 42.059 -0.109 0.000 1.142 535 L HN 0.860 nan 8.230 nan 0.000 0.473 536 C N 0.235 119.600 119.300 0.108 0.000 2.448 536 C HA 0.136 4.610 4.460 0.025 0.000 0.280 536 C C 0.684 175.839 174.990 0.275 0.000 1.398 536 C CA -0.215 58.921 59.018 0.197 0.000 1.774 536 C CB -1.132 26.636 27.740 0.048 0.000 1.888 536 C HN 0.838 nan 8.230 nan 0.000 0.519 537 E N -0.877 119.411 120.200 0.147 0.000 2.321 537 E HA 0.623 4.988 4.350 0.025 0.000 0.281 537 E C -1.234 175.315 176.600 -0.086 0.000 0.910 537 E CA -0.410 56.048 56.400 0.096 0.000 0.770 537 E CB 1.985 31.549 29.700 -0.228 0.000 1.225 537 E HN 0.657 nan 8.360 nan 0.000 0.417 538 Y N -0.535 119.766 120.300 0.003 0.000 2.750 538 Y HA 0.627 5.193 4.550 0.027 0.000 0.335 538 Y C -0.756 175.328 175.900 0.307 0.000 1.252 538 Y CA -0.873 57.243 58.100 0.025 0.000 1.064 538 Y CB 0.745 39.047 38.460 -0.263 0.000 1.321 538 Y HN 0.624 nan 8.280 nan 0.000 0.451 539 A N 1.868 124.732 122.820 0.073 0.000 2.303 539 A HA -0.272 4.062 4.320 0.025 0.000 0.286 539 A C -0.314 177.395 177.584 0.209 0.000 1.429 539 A CA 1.089 53.181 52.037 0.091 0.000 0.738 539 A CB -2.465 16.514 19.000 -0.036 0.000 1.149 539 A HN 1.106 nan 8.150 nan 0.000 0.364 540 H N 0.806 120.031 119.070 0.258 0.000 3.276 540 H HA 0.246 4.817 4.556 0.024 0.000 0.247 540 H C 1.120 176.515 175.328 0.113 0.000 0.991 540 H CA 0.782 56.992 56.048 0.269 0.000 1.431 540 H CB 0.242 30.044 29.762 0.067 0.000 1.548 540 H HN 0.810 nan 8.280 nan 0.000 0.513 541 A N 6.824 129.560 122.820 -0.140 0.000 2.916 541 A HA 0.057 4.392 4.320 0.025 0.000 0.254 541 A C 0.847 178.260 177.584 -0.285 0.000 1.544 541 A CA -0.334 51.587 52.037 -0.194 0.000 1.224 541 A CB -0.695 18.205 19.000 -0.167 0.000 1.012 541 A HN 0.792 nan 8.150 nan 0.000 0.636 542 M N 1.422 120.841 119.600 -0.303 0.000 2.120 542 M HA 0.475 4.970 4.480 0.025 0.000 0.354 542 M C 0.907 176.989 176.300 -0.363 0.000 1.287 542 M CA 1.151 56.271 55.300 -0.299 0.000 1.103 542 M CB 0.119 32.614 32.600 -0.175 0.000 1.623 542 M HN 0.856 nan 8.290 nan 0.000 0.471 543 G N 4.342 112.861 108.800 -0.469 0.000 2.564 543 G HA2 -0.345 3.630 3.960 0.025 0.000 0.273 543 G HA3 -0.345 3.630 3.960 0.025 0.000 0.273 543 G C -0.254 174.071 174.900 -0.959 0.000 1.242 543 G CA 0.114 44.768 45.100 -0.745 0.000 0.951 543 G HN 0.883 nan 8.290 nan 0.000 0.564 544 N N 1.148 119.139 118.700 -1.182 0.000 2.549 544 N HA 0.476 5.231 4.740 0.025 0.000 0.267 544 N C 0.119 175.338 175.510 -0.485 0.000 1.182 544 N CA 1.117 53.658 53.050 -0.849 0.000 1.019 544 N CB 0.296 38.290 38.487 -0.822 0.000 1.380 544 N HN 0.793 nan 8.380 nan 0.000 0.505 545 S N 1.810 117.303 115.700 -0.346 0.000 3.132 545 S HA 0.587 5.072 4.470 0.025 0.000 0.322 545 S C 0.021 174.534 174.600 -0.146 0.000 1.124 545 S CA -0.368 57.699 58.200 -0.223 0.000 0.906 545 S CB 0.105 63.188 63.200 -0.195 0.000 1.349 545 S HN 0.346 nan 8.310 nan 0.000 0.686 546 L N 0.097 121.275 121.223 -0.075 0.000 4.800 546 L HA -0.082 4.272 4.340 0.025 0.000 0.412 546 L C 0.568 177.477 176.870 0.066 0.000 1.063 546 L CA 0.940 55.770 54.840 -0.016 0.000 1.114 546 L CB -1.834 40.124 42.059 -0.168 0.000 2.089 546 L HN 0.692 nan 8.230 nan 0.000 0.686 547 G N -0.722 108.081 108.800 0.005 0.000 2.343 547 G HA2 0.478 4.453 3.960 0.025 0.000 0.254 547 G HA3 0.478 4.453 3.960 0.025 0.000 0.254 547 G C 1.204 176.139 174.900 0.059 0.000 1.277 547 G CA 0.228 45.312 45.100 -0.028 0.000 0.909 547 G HN 1.368 nan 8.290 nan 0.000 0.502 548 G N 1.831 110.665 108.800 0.057 0.000 2.141 548 G HA2 -0.303 3.672 3.960 0.025 0.000 0.242 548 G HA3 -0.303 3.672 3.960 0.025 0.000 0.242 548 G C 0.918 175.998 174.900 0.300 0.000 0.982 548 G CA 0.640 45.825 45.100 0.141 0.000 0.662 548 G HN 0.750 nan 8.290 nan 0.000 0.527 549 F N 1.687 121.753 119.950 0.194 0.000 2.126 549 F HA 0.093 4.635 4.527 0.026 0.000 0.299 549 F C 2.662 178.687 175.800 0.375 0.000 1.096 549 F CA 2.638 60.829 58.000 0.319 0.000 1.255 549 F CB -0.420 38.707 39.000 0.212 0.000 0.997 549 F HN 0.353 nan 8.300 nan 0.000 0.479 550 A N -0.500 122.501 122.820 0.301 0.000 2.070 550 A HA -0.227 4.108 4.320 0.025 0.000 0.220 550 A C 2.253 179.871 177.584 0.057 0.000 1.159 550 A CA 1.657 53.801 52.037 0.178 0.000 0.656 550 A CB -0.807 18.295 19.000 0.170 0.000 0.800 550 A HN 0.464 nan 8.150 nan 0.000 0.453 551 K N -1.753 118.657 120.400 0.018 0.000 2.211 551 K HA -0.128 4.206 4.320 0.025 0.000 0.203 551 K C 1.549 177.921 176.600 -0.380 0.000 1.050 551 K CA 1.233 57.443 56.287 -0.130 0.000 0.945 551 K CB -0.248 32.184 32.500 -0.115 0.000 0.732 551 K HN 0.577 nan 8.250 nan 0.000 0.451 552 Y N -0.882 119.132 120.300 -0.477 0.000 2.184 552 Y HA -0.191 4.373 4.550 0.023 0.000 0.290 552 Y C 1.854 176.736 175.900 -1.696 0.000 1.129 552 Y CA 1.389 58.832 58.100 -1.096 0.000 1.144 552 Y CB -0.241 37.520 38.460 -1.165 0.000 0.995 552 Y HN 0.137 nan 8.280 nan 0.000 0.513 553 W N 0.107 120.979 121.300 -0.714 0.000 2.358 553 W HA -0.223 4.453 4.660 0.028 0.000 0.303 553 W C 2.632 178.989 176.519 -0.270 0.000 1.208 553 W CA 1.567 58.651 57.345 -0.436 0.000 1.274 553 W CB -0.609 28.674 29.460 -0.295 0.000 1.138 553 W HN 0.040 nan 8.180 nan 0.000 0.515 554 Q N 0.725 120.449 119.800 -0.126 0.000 2.050 554 Q HA -0.185 4.169 4.340 0.025 0.000 0.202 554 Q C 2.239 178.177 176.000 -0.104 0.000 0.980 554 Q CA 2.114 57.877 55.803 -0.068 0.000 0.840 554 Q CB -0.626 28.087 28.738 -0.042 0.000 0.898 554 Q HN 0.278 nan 8.270 nan 0.000 0.424 555 A N -0.060 122.601 122.820 -0.266 0.000 1.898 555 A HA -0.107 4.227 4.320 0.025 0.000 0.216 555 A C 2.033 179.580 177.584 -0.062 0.000 1.181 555 A CA 1.016 52.926 52.037 -0.211 0.000 0.620 555 A CB -1.016 17.740 19.000 -0.407 0.000 0.819 555 A HN 0.475 nan 8.150 nan 0.000 0.442 556 F N -0.401 119.370 119.950 -0.297 0.000 2.171 556 F HA -0.200 4.342 4.527 0.025 0.000 0.300 556 F C 2.761 178.464 175.800 -0.162 0.000 1.090 556 F CA 1.054 58.854 58.000 -0.333 0.000 1.293 556 F CB -0.146 38.436 39.000 -0.697 0.000 1.013 556 F HN 0.166 nan 8.300 nan 0.000 0.486 557 R N 0.043 120.598 120.500 0.091 0.000 2.090 557 R HA -0.162 4.193 4.340 0.025 0.000 0.228 557 R C 2.107 178.448 176.300 0.068 0.000 1.110 557 R CA 1.141 57.283 56.100 0.069 0.000 0.973 557 R CB -0.412 29.924 30.300 0.060 0.000 0.869 557 R HN 0.355 nan 8.270 nan 0.000 0.440 558 Q N -0.300 119.569 119.800 0.115 0.000 2.245 558 Q HA -0.057 4.298 4.340 0.025 0.000 0.201 558 Q C -0.511 175.537 176.000 0.079 0.000 0.955 558 Q CA 0.872 56.736 55.803 0.102 0.000 0.870 558 Q CB 0.404 29.234 28.738 0.154 0.000 0.945 558 Q HN 0.191 nan 8.270 nan 0.000 0.461 559 Y N -0.017 120.267 120.300 -0.026 0.000 2.342 559 Y HA 0.274 4.837 4.550 0.022 0.000 0.338 559 Y C -1.760 174.117 175.900 -0.038 0.000 0.965 559 Y CA -2.846 55.238 58.100 -0.026 0.000 1.159 559 Y CB 1.512 39.962 38.460 -0.017 0.000 1.157 559 Y HN 0.080 nan 8.280 nan 0.000 0.486 560 P HA -0.161 nan 4.420 nan 0.000 0.216 560 P C 0.977 178.284 177.300 0.011 0.000 1.153 560 P CA 1.809 64.915 63.100 0.011 0.000 0.858 560 P CB 0.315 32.006 31.700 -0.016 0.000 0.789 561 R N -1.211 119.317 120.500 0.046 0.000 2.323 561 R HA 0.124 4.479 4.340 0.025 0.000 0.198 561 R C 0.432 176.717 176.300 -0.024 0.000 0.988 561 R CA 0.085 56.191 56.100 0.011 0.000 1.041 561 R CB -0.431 29.883 30.300 0.022 0.000 0.926 561 R HN 0.236 nan 8.270 nan 0.000 0.476 562 L N 1.737 122.960 121.223 0.001 0.000 2.270 562 L HA 0.170 4.525 4.340 0.025 0.000 0.286 562 L C 0.527 177.252 176.870 -0.241 0.000 1.059 562 L CA 0.056 54.846 54.840 -0.083 0.000 0.839 562 L CB 1.239 43.320 42.059 0.038 0.000 1.221 562 L HN 0.072 nan 8.230 nan 0.000 0.431 563 Q N 2.697 122.281 119.800 -0.359 0.000 2.201 563 Q HA 0.302 4.657 4.340 0.025 0.000 0.217 563 Q C 0.822 176.387 176.000 -0.724 0.000 0.860 563 Q CA 0.094 55.644 55.803 -0.422 0.000 0.984 563 Q CB 0.915 29.501 28.738 -0.253 0.000 1.095 563 Q HN 0.952 nan 8.270 nan 0.000 0.477 564 G N -0.494 107.479 108.800 -1.379 0.000 2.416 564 G HA2 0.113 4.088 3.960 0.025 0.000 0.203 564 G HA3 0.113 4.088 3.960 0.025 0.000 0.203 564 G C -0.315 173.741 174.900 -1.406 0.000 1.227 564 G CA -0.763 43.163 45.100 -1.957 0.000 1.041 564 G HN 0.570 nan 8.290 nan 0.000 0.546 565 G N -2.209 106.056 108.800 -0.892 0.000 2.328 565 G HA2 0.628 4.603 3.960 0.025 0.000 0.295 565 G HA3 0.628 4.603 3.960 0.025 0.000 0.295 565 G C -1.791 172.992 174.900 -0.195 0.000 1.413 565 G CA -0.288 44.505 45.100 -0.513 0.000 0.817 565 G HN 1.156 nan 8.290 nan 0.000 0.546 566 F N 0.850 121.037 119.950 0.395 0.000 2.403 566 F HA 0.506 5.046 4.527 0.022 0.000 0.355 566 F C 0.834 176.931 175.800 0.495 0.000 1.119 566 F CA -0.742 57.511 58.000 0.423 0.000 1.007 566 F CB 1.946 41.096 39.000 0.250 0.000 1.194 566 F HN 0.256 nan 8.300 nan 0.000 0.443 567 V N 3.276 123.493 119.914 0.505 0.000 2.872 567 V HA -0.149 3.985 4.120 0.025 0.000 0.307 567 V C -0.201 176.069 176.094 0.293 0.000 1.072 567 V CA -0.216 62.183 62.300 0.166 0.000 1.148 567 V CB 0.727 32.636 31.823 0.144 0.000 0.954 567 V HN 0.764 nan 8.190 nan 0.000 0.490 568 W N 6.265 127.672 121.300 0.178 0.000 2.296 568 W HA 0.452 5.126 4.660 0.024 0.000 0.316 568 W C -0.855 175.706 176.519 0.070 0.000 1.022 568 W CA -0.641 56.846 57.345 0.238 0.000 1.324 568 W CB 1.366 31.133 29.460 0.512 0.000 1.227 568 W HN 0.930 nan 8.180 nan 0.000 0.409 569 D N 2.600 122.766 120.400 -0.391 0.000 2.895 569 D HA 0.098 4.752 4.640 0.025 0.000 0.320 569 D C 0.643 176.766 176.300 -0.294 0.000 1.249 569 D CA -0.529 53.090 54.000 -0.635 0.000 0.997 569 D CB 0.201 39.993 40.800 -1.681 0.000 1.430 569 D HN 0.401 nan 8.370 nan 0.000 0.558 570 W N 0.381 121.400 121.300 -0.468 0.000 2.413 570 W HA 0.144 4.819 4.660 0.025 0.000 0.315 570 W C -0.048 176.304 176.519 -0.279 0.000 1.186 570 W CA 1.253 58.388 57.345 -0.351 0.000 1.326 570 W CB 0.330 29.593 29.460 -0.329 0.000 1.153 570 W HN 0.159 nan 8.180 nan 0.000 0.489 571 V N 2.600 122.321 119.914 -0.322 0.000 2.709 571 V HA 0.253 4.387 4.120 0.025 0.000 0.308 571 V C -0.927 175.008 176.094 -0.265 0.000 1.062 571 V CA -0.825 61.235 62.300 -0.399 0.000 0.901 571 V CB 1.524 33.176 31.823 -0.285 0.000 1.003 571 V HN -0.087 nan 8.190 nan 0.000 0.425 572 D N 4.202 124.446 120.400 -0.259 0.000 2.493 572 D HA 0.089 4.744 4.640 0.025 0.000 0.240 572 D C 0.336 176.486 176.300 -0.250 0.000 1.142 572 D CA 0.655 54.543 54.000 -0.187 0.000 0.872 572 D CB 0.931 41.678 40.800 -0.088 0.000 1.173 572 D HN 0.633 nan 8.370 nan 0.000 0.467 573 Q N 1.100 120.689 119.800 -0.352 0.000 2.938 573 Q HA 0.098 4.453 4.340 0.025 0.000 0.343 573 Q C 0.079 175.983 176.000 -0.159 0.000 1.185 573 Q CA -0.296 55.069 55.803 -0.731 0.000 0.939 573 Q CB 0.039 28.442 28.738 -0.557 0.000 1.480 573 Q HN 0.371 nan 8.270 nan 0.000 0.442 574 S N -0.169 115.560 115.700 0.049 0.000 2.610 574 S HA 0.595 5.080 4.470 0.025 0.000 0.273 574 S C -0.163 174.621 174.600 0.307 0.000 1.274 574 S CA -0.703 57.660 58.200 0.271 0.000 1.023 574 S CB 1.192 64.534 63.200 0.237 0.000 0.962 574 S HN 0.330 nan 8.310 nan 0.000 0.523 575 L N 1.836 123.173 121.223 0.190 0.000 2.341 575 L HA 0.546 4.901 4.340 0.025 0.000 0.267 575 L C -0.374 176.404 176.870 -0.154 0.000 1.009 575 L CA -1.185 53.648 54.840 -0.011 0.000 0.819 575 L CB 1.562 43.506 42.059 -0.191 0.000 1.323 575 L HN 0.575 nan 8.230 nan 0.000 0.425 576 I N 2.161 122.592 120.570 -0.232 0.000 2.441 576 I HA 0.264 4.449 4.170 0.025 0.000 0.287 576 I C 0.064 175.794 176.117 -0.643 0.000 1.049 576 I CA -0.058 60.979 61.300 -0.438 0.000 1.381 576 I CB 0.975 38.739 38.000 -0.392 0.000 1.409 576 I HN 0.597 nan 8.210 nan 0.000 0.523 577 K N 5.494 125.230 120.400 -1.107 0.000 2.400 577 K HA 0.554 4.888 4.320 0.025 0.000 0.246 577 K C -1.535 174.225 176.600 -1.400 0.000 0.995 577 K CA -0.741 54.811 56.287 -1.225 0.000 0.840 577 K CB 2.142 33.763 32.500 -1.466 0.000 1.293 577 K HN 0.207 nan 8.250 nan 0.000 0.445 578 Y N 1.009 121.104 120.300 -0.342 0.000 2.377 578 Y HA 0.123 4.688 4.550 0.025 0.000 0.339 578 Y C 0.316 176.311 175.900 0.159 0.000 1.011 578 Y CA -1.002 57.055 58.100 -0.072 0.000 1.093 578 Y CB 1.030 39.461 38.460 -0.048 0.000 1.201 578 Y HN 0.675 nan 8.280 nan 0.000 0.455 579 D N 0.245 120.875 120.400 0.383 0.000 2.414 579 D HA 0.026 4.681 4.640 0.025 0.000 0.259 579 D C 0.560 176.970 176.300 0.184 0.000 1.269 579 D CA -0.337 53.840 54.000 0.294 0.000 1.028 579 D CB 0.602 41.510 40.800 0.181 0.000 1.093 579 D HN 0.639 nan 8.370 nan 0.000 0.545 580 E N -0.629 119.639 120.200 0.112 0.000 2.153 580 E HA -0.172 4.193 4.350 0.025 0.000 0.194 580 E C 1.140 177.782 176.600 0.069 0.000 0.988 580 E CA 1.034 57.479 56.400 0.075 0.000 0.811 580 E CB -0.468 29.258 29.700 0.042 0.000 0.746 580 E HN 0.329 nan 8.360 nan 0.000 0.466 581 N N 0.286 119.032 118.700 0.077 0.000 2.571 581 N HA 0.002 4.757 4.740 0.025 0.000 0.189 581 N C 1.057 176.617 175.510 0.085 0.000 1.154 581 N CA 1.045 54.135 53.050 0.067 0.000 0.907 581 N CB 0.641 39.167 38.487 0.064 0.000 0.977 581 N HN 0.424 nan 8.380 nan 0.000 0.449 582 G N 0.329 109.204 108.800 0.125 0.000 2.179 582 G HA2 -0.265 3.709 3.960 0.025 0.000 0.260 582 G HA3 -0.265 3.709 3.960 0.025 0.000 0.260 582 G C -0.038 175.021 174.900 0.265 0.000 0.977 582 G CA -0.258 44.928 45.100 0.143 0.000 0.641 582 G HN 0.312 nan 8.290 nan 0.000 0.533 583 N N 1.885 120.728 118.700 0.238 0.000 2.529 583 N HA 0.442 5.197 4.740 0.025 0.000 0.278 583 N C -2.513 173.135 175.510 0.230 0.000 1.146 583 N CA -1.041 52.149 53.050 0.233 0.000 0.980 583 N CB 1.349 39.932 38.487 0.160 0.000 1.124 583 N HN 0.171 nan 8.380 nan 0.000 0.458 584 P HA 0.199 nan 4.420 nan 0.000 0.275 584 P C -0.497 176.758 177.300 -0.074 0.000 1.228 584 P CA -0.246 62.699 63.100 -0.259 0.000 0.786 584 P CB 0.513 32.081 31.700 -0.219 0.000 0.927 585 W N -0.301 120.751 121.300 -0.414 0.000 3.127 585 W HA 0.449 5.124 4.660 0.025 0.000 0.330 585 W C -1.457 174.892 176.519 -0.283 0.000 1.187 585 W CA -1.059 56.058 57.345 -0.380 0.000 1.198 585 W CB 0.382 29.382 29.460 -0.767 0.000 1.408 585 W HN 0.117 nan 8.180 nan 0.000 0.529 586 S N 1.928 117.714 115.700 0.143 0.000 2.481 586 S HA 0.555 5.039 4.470 0.025 0.000 0.276 586 S C 0.167 174.950 174.600 0.304 0.000 1.247 586 S CA -0.133 58.151 58.200 0.141 0.000 1.053 586 S CB 0.861 64.194 63.200 0.222 0.000 0.925 586 S HN 0.619 nan 8.310 nan 0.000 0.491 587 A N 2.907 125.767 122.820 0.067 0.000 2.380 587 A HA 0.898 5.233 4.320 0.025 0.000 0.315 587 A C -0.776 177.054 177.584 0.410 0.000 1.101 587 A CA -0.836 51.275 52.037 0.123 0.000 0.771 587 A CB 0.851 19.586 19.000 -0.442 0.000 1.287 587 A HN 0.831 nan 8.150 nan 0.000 0.436 588 Y N -0.693 119.918 120.300 0.518 0.000 3.048 588 Y HA 0.784 5.349 4.550 0.025 0.000 0.305 588 Y C 0.749 177.007 175.900 0.597 0.000 1.538 588 Y CA -1.321 57.083 58.100 0.507 0.000 1.082 588 Y CB -0.141 38.452 38.460 0.222 0.000 1.388 588 Y HN 0.921 nan 8.280 nan 0.000 0.557 589 G N -0.207 108.990 108.800 0.662 0.000 2.224 589 G HA2 0.355 4.329 3.960 0.025 0.000 0.239 589 G HA3 0.355 4.329 3.960 0.025 0.000 0.239 589 G C 0.966 176.171 174.900 0.509 0.000 1.240 589 G CA 0.496 45.897 45.100 0.501 0.000 0.896 589 G HN 1.947 nan 8.290 nan 0.000 0.496 590 G N 2.242 111.298 108.800 0.426 0.000 2.268 590 G HA2 -0.295 3.679 3.960 0.025 0.000 0.240 590 G HA3 -0.295 3.679 3.960 0.025 0.000 0.240 590 G C 0.972 176.054 174.900 0.303 0.000 1.010 590 G CA 0.726 46.022 45.100 0.328 0.000 0.618 590 G HN 0.646 nan 8.290 nan 0.000 0.516 591 D N -0.101 120.486 120.400 0.312 0.000 2.378 591 D HA 0.113 4.768 4.640 0.025 0.000 0.222 591 D C 1.410 177.593 176.300 -0.194 0.000 0.980 591 D CA 0.566 54.605 54.000 0.065 0.000 0.907 591 D CB -0.218 40.596 40.800 0.023 0.000 0.899 591 D HN 0.493 nan 8.370 nan 0.000 0.527 592 F N -0.971 119.112 119.950 0.221 0.000 2.654 592 F HA 0.305 4.846 4.527 0.025 0.000 0.303 592 F C 1.820 177.707 175.800 0.146 0.000 1.099 592 F CA -0.065 58.024 58.000 0.149 0.000 1.270 592 F CB 0.853 39.948 39.000 0.158 0.000 1.024 592 F HN -0.028 nan 8.300 nan 0.000 0.548 593 G N 0.272 109.224 108.800 0.255 0.000 2.176 593 G HA2 -0.267 3.708 3.960 0.025 0.000 0.253 593 G HA3 -0.267 3.708 3.960 0.025 0.000 0.253 593 G C -0.197 174.834 174.900 0.219 0.000 0.979 593 G CA 0.090 45.307 45.100 0.196 0.000 0.641 593 G HN 0.395 nan 8.290 nan 0.000 0.530 594 D N 0.756 121.333 120.400 0.295 0.000 2.383 594 D HA 0.486 5.141 4.640 0.025 0.000 0.252 594 D C 0.153 176.567 176.300 0.189 0.000 1.166 594 D CA 0.930 55.089 54.000 0.266 0.000 0.879 594 D CB 1.546 42.559 40.800 0.356 0.000 1.164 594 D HN 0.482 nan 8.370 nan 0.000 0.462 595 T N 1.032 115.667 114.554 0.136 0.000 3.041 595 T HA 0.471 4.835 4.350 0.025 0.000 0.321 595 T C -2.773 171.956 174.700 0.049 0.000 1.184 595 T CA -1.197 60.952 62.100 0.083 0.000 1.050 595 T CB 1.281 70.197 68.868 0.081 0.000 1.159 595 T HN 0.202 nan 8.240 nan 0.000 0.469 596 P HA 0.532 nan 4.420 nan 0.000 0.274 596 P C -0.998 176.280 177.300 -0.037 0.000 1.256 596 P CA -0.400 62.692 63.100 -0.013 0.000 0.795 596 P CB 0.388 32.056 31.700 -0.053 0.000 1.038 597 N N -1.941 116.730 118.700 -0.048 0.000 2.610 597 N HA 0.287 5.041 4.740 0.025 0.000 0.264 597 N C -1.123 174.312 175.510 -0.125 0.000 1.348 597 N CA -0.745 52.244 53.050 -0.101 0.000 0.819 597 N CB 0.927 39.446 38.487 0.052 0.000 1.521 597 N HN 0.059 nan 8.380 nan 0.000 0.497 598 D N -0.131 120.123 120.400 -0.244 0.000 2.643 598 D HA 0.134 4.789 4.640 0.025 0.000 0.244 598 D C 0.482 176.957 176.300 0.291 0.000 1.257 598 D CA -0.133 53.814 54.000 -0.089 0.000 0.831 598 D CB 0.131 40.737 40.800 -0.323 0.000 1.043 598 D HN 0.718 nan 8.370 nan 0.000 0.488 599 R N 0.850 121.523 120.500 0.289 0.000 3.587 599 R HA -0.336 4.019 4.340 0.025 0.000 0.556 599 R C 1.264 177.637 176.300 0.121 0.000 0.241 599 R CA 1.642 57.941 56.100 0.332 0.000 1.724 599 R CB -1.591 28.829 30.300 0.201 0.000 0.885 599 R HN 0.163 nan 8.270 nan 0.000 0.613 600 Q N 1.641 121.159 119.800 -0.470 0.000 2.515 600 Q HA -0.045 4.310 4.340 0.025 0.000 0.212 600 Q C 1.671 177.380 176.000 -0.484 0.000 0.970 600 Q CA 1.472 56.810 55.803 -0.775 0.000 0.941 600 Q CB -0.052 27.963 28.738 -1.204 0.000 0.998 600 Q HN 0.623 nan 8.270 nan 0.000 0.518 601 F N 1.471 121.366 119.950 -0.090 0.000 2.373 601 F HA -0.151 4.390 4.527 0.025 0.000 0.300 601 F C 2.329 178.083 175.800 -0.077 0.000 1.080 601 F CA 1.238 59.250 58.000 0.019 0.000 1.417 601 F CB -0.213 38.859 39.000 0.120 0.000 1.070 601 F HN 0.433 nan 8.300 nan 0.000 0.546 602 C N -1.323 117.726 119.300 -0.418 0.000 2.576 602 C HA 0.240 4.715 4.460 0.025 0.000 0.267 602 C C 0.961 175.763 174.990 -0.313 0.000 1.364 602 C CA -0.491 58.090 59.018 -0.727 0.000 1.723 602 C CB -1.708 25.034 27.740 -1.664 0.000 1.778 602 C HN 0.218 nan 8.230 nan 0.000 0.572 603 M N 2.583 122.052 119.600 -0.218 0.000 2.027 603 M HA 0.290 4.785 4.480 0.025 0.000 0.329 603 M C -0.462 175.746 176.300 -0.153 0.000 0.971 603 M CA 0.303 55.508 55.300 -0.157 0.000 0.933 603 M CB 0.133 32.663 32.600 -0.116 0.000 1.392 603 M HN 0.355 nan 8.290 nan 0.000 0.394 604 N N 1.041 119.664 118.700 -0.129 0.000 2.387 604 N HA 0.217 4.972 4.740 0.025 0.000 0.259 604 N C 0.127 175.497 175.510 -0.232 0.000 1.369 604 N CA -0.580 52.354 53.050 -0.194 0.000 0.867 604 N CB 1.300 39.754 38.487 -0.054 0.000 1.341 604 N HN 0.640 nan 8.380 nan 0.000 0.495 605 G N -0.113 108.564 108.800 -0.205 0.000 2.477 605 G HA2 0.399 4.373 3.960 0.025 0.000 0.304 605 G HA3 0.399 4.373 3.960 0.025 0.000 0.304 605 G C 0.645 175.432 174.900 -0.188 0.000 1.175 605 G CA -0.556 44.382 45.100 -0.270 0.000 0.907 605 G HN 0.110 nan 8.290 nan 0.000 0.509 606 L N -0.223 120.822 121.223 -0.297 0.000 2.418 606 L HA 0.141 4.496 4.340 0.025 0.000 0.218 606 L C 0.787 177.375 176.870 -0.470 0.000 1.125 606 L CA 0.306 54.995 54.840 -0.252 0.000 0.835 606 L CB -0.099 41.821 42.059 -0.232 0.000 0.953 606 L HN 0.382 nan 8.230 nan 0.000 0.454 607 V N -4.943 114.509 119.914 -0.770 0.000 2.914 607 V HA 0.476 4.610 4.120 0.025 0.000 0.314 607 V C -0.336 175.251 176.094 -0.845 0.000 1.084 607 V CA -1.189 60.593 62.300 -0.863 0.000 0.963 607 V CB 1.707 32.970 31.823 -0.932 0.000 1.025 607 V HN -0.145 nan 8.190 nan 0.000 0.432 608 F N 1.861 121.369 119.950 -0.735 0.000 2.440 608 F HA 0.583 5.125 4.527 0.025 0.000 0.323 608 F C 1.938 177.544 175.800 -0.323 0.000 1.192 608 F CA 0.637 58.333 58.000 -0.506 0.000 1.252 608 F CB 1.159 39.934 39.000 -0.375 0.000 1.214 608 F HN 0.800 nan 8.300 nan 0.000 0.578 609 A N 0.795 123.632 122.820 0.028 0.000 1.986 609 A HA -0.248 4.087 4.320 0.025 0.000 0.220 609 A C 1.535 179.075 177.584 -0.073 0.000 1.171 609 A CA 2.023 54.065 52.037 0.008 0.000 0.640 609 A CB -1.008 18.044 19.000 0.086 0.000 0.811 609 A HN 0.794 nan 8.150 nan 0.000 0.451 610 D N -3.217 117.140 120.400 -0.071 0.000 2.319 610 D HA 0.217 4.871 4.640 0.025 0.000 0.230 610 D C 0.732 176.978 176.300 -0.090 0.000 1.094 610 D CA 0.013 53.947 54.000 -0.110 0.000 0.856 610 D CB 0.002 40.741 40.800 -0.101 0.000 0.915 610 D HN 0.290 nan 8.370 nan 0.000 0.517 611 R N -2.055 118.380 120.500 -0.109 0.000 3.489 611 R HA -0.121 4.234 4.340 0.025 0.000 0.489 611 R C -0.172 176.067 176.300 -0.101 0.000 0.770 611 R CA 1.226 57.256 56.100 -0.117 0.000 1.404 611 R CB -2.989 27.292 30.300 -0.032 0.000 2.091 611 R HN 0.254 nan 8.270 nan 0.000 0.456 612 T N 2.855 117.368 114.554 -0.067 0.000 2.930 612 T HA 0.316 4.681 4.350 0.025 0.000 0.306 612 T C -2.323 172.362 174.700 -0.025 0.000 1.045 612 T CA -0.564 61.514 62.100 -0.037 0.000 1.134 612 T CB 0.870 69.695 68.868 -0.072 0.000 0.961 612 T HN -0.073 nan 8.240 nan 0.000 0.545 613 P HA 0.287 nan 4.420 nan 0.000 0.278 613 P C -0.396 176.882 177.300 -0.038 0.000 1.238 613 P CA -0.372 62.668 63.100 -0.099 0.000 0.794 613 P CB 0.484 32.160 31.700 -0.041 0.000 0.955 614 H N 2.277 121.236 119.070 -0.185 0.000 2.508 614 H HA 0.175 4.746 4.556 0.024 0.000 0.358 614 H C -1.158 174.088 175.328 -0.137 0.000 1.212 614 H CA -1.798 54.101 56.048 -0.250 0.000 1.356 614 H CB 0.454 29.992 29.762 -0.373 0.000 1.525 614 H HN 0.336 nan 8.280 nan 0.000 0.578 615 P HA -0.152 nan 4.420 nan 0.000 0.222 615 P C 0.917 178.216 177.300 -0.002 0.000 1.147 615 P CA 1.298 64.394 63.100 -0.007 0.000 0.790 615 P CB 0.028 31.721 31.700 -0.012 0.000 0.780 616 A N -0.394 122.418 122.820 -0.012 0.000 2.019 616 A HA -0.161 4.174 4.320 0.025 0.000 0.219 616 A C 2.078 179.614 177.584 -0.080 0.000 1.164 616 A CA 1.174 53.169 52.037 -0.070 0.000 0.644 616 A CB -1.556 17.378 19.000 -0.111 0.000 0.805 616 A HN 0.186 nan 8.150 nan 0.000 0.449 617 L N -0.608 120.601 121.223 -0.025 0.000 2.042 617 L HA -0.127 4.227 4.340 0.025 0.000 0.210 617 L C 2.517 179.435 176.870 0.080 0.000 1.076 617 L CA 2.728 57.591 54.840 0.038 0.000 0.749 617 L CB -0.938 41.146 42.059 0.041 0.000 0.893 617 L HN 0.365 nan 8.230 nan 0.000 0.432 618 T N -1.537 113.065 114.554 0.080 0.000 2.833 618 T HA -0.216 4.149 4.350 0.025 0.000 0.269 618 T C 1.800 176.604 174.700 0.173 0.000 1.054 618 T CA 1.503 63.700 62.100 0.161 0.000 1.135 618 T CB -0.155 68.781 68.868 0.114 0.000 0.869 618 T HN 0.497 nan 8.240 nan 0.000 0.466 619 E N 0.905 121.145 120.200 0.066 0.000 2.031 619 E HA -0.006 4.359 4.350 0.025 0.000 0.193 619 E C 2.240 178.841 176.600 0.001 0.000 0.994 619 E CA 1.568 58.003 56.400 0.058 0.000 0.800 619 E CB -0.722 28.970 29.700 -0.014 0.000 0.752 619 E HN 0.526 nan 8.360 nan 0.000 0.447 620 A N 1.067 123.765 122.820 -0.203 0.000 1.908 620 A HA -0.260 4.075 4.320 0.025 0.000 0.218 620 A C 2.177 179.655 177.584 -0.177 0.000 1.181 620 A CA 2.015 53.894 52.037 -0.263 0.000 0.627 620 A CB -0.690 18.172 19.000 -0.230 0.000 0.818 620 A HN 0.274 nan 8.150 nan 0.000 0.445 621 K N -1.263 119.108 120.400 -0.050 0.000 2.044 621 K HA -0.301 4.034 4.320 0.025 0.000 0.210 621 K C 2.094 178.613 176.600 -0.135 0.000 1.049 621 K CA 2.119 58.398 56.287 -0.014 0.000 0.927 621 K CB -0.367 32.270 32.500 0.229 0.000 0.713 621 K HN 0.638 nan 8.250 nan 0.000 0.443 622 H N 0.566 119.463 119.070 -0.288 0.000 2.357 622 H HA -0.011 4.560 4.556 0.025 0.000 0.301 622 H C 1.996 177.030 175.328 -0.489 0.000 1.082 622 H CA 1.669 57.309 56.048 -0.679 0.000 1.342 622 H CB 0.051 29.504 29.762 -0.514 0.000 1.389 622 H HN 0.250 nan 8.280 nan 0.000 0.511 623 Q N 0.225 119.771 119.800 -0.424 0.000 2.226 623 Q HA -0.120 4.235 4.340 0.025 0.000 0.204 623 Q C 1.720 177.167 176.000 -0.921 0.000 0.975 623 Q CA 1.250 56.703 55.803 -0.583 0.000 0.866 623 Q CB -0.028 28.508 28.738 -0.335 0.000 0.915 623 Q HN 0.682 nan 8.270 nan 0.000 0.440 624 Q N 0.123 119.338 119.800 -0.974 0.000 2.365 624 Q HA 0.046 4.401 4.340 0.025 0.000 0.203 624 Q C -0.053 175.387 176.000 -0.934 0.000 0.929 624 Q CA -0.191 54.924 55.803 -1.147 0.000 0.948 624 Q CB 0.353 28.467 28.738 -1.040 0.000 1.043 624 Q HN 0.376 nan 8.270 nan 0.000 0.505 625 Q N -0.570 118.838 119.800 -0.653 0.000 2.414 625 Q HA -0.059 4.296 4.340 0.025 0.000 0.288 625 Q C -0.214 175.405 176.000 -0.635 0.000 1.086 625 Q CA 0.459 56.008 55.803 -0.422 0.000 0.943 625 Q CB 0.432 29.035 28.738 -0.225 0.000 1.282 625 Q HN 0.292 nan 8.270 nan 0.000 0.438 626 F N 0.323 120.035 119.950 -0.396 0.000 2.695 626 F HA 0.256 4.798 4.527 0.024 0.000 0.303 626 F C -0.258 174.993 175.800 -0.915 0.000 1.091 626 F CA -0.045 57.481 58.000 -0.790 0.000 1.300 626 F CB 0.530 38.730 39.000 -1.333 0.000 1.071 626 F HN 0.291 nan 8.300 nan 0.000 0.578 627 F N 0.212 120.079 119.950 -0.138 0.000 2.556 627 F HA 0.495 5.037 4.527 0.026 0.000 0.314 627 F C -0.227 175.273 175.800 -0.500 0.000 1.106 627 F CA -1.105 56.723 58.000 -0.286 0.000 0.911 627 F CB 1.460 40.301 39.000 -0.265 0.000 1.190 627 F HN -0.336 nan 8.300 nan 0.000 0.448 628 Q N 2.973 122.550 119.800 -0.373 0.000 2.342 628 Q HA 0.570 4.925 4.340 0.025 0.000 0.267 628 Q C -1.393 174.328 176.000 -0.465 0.000 1.038 628 Q CA -0.633 54.977 55.803 -0.322 0.000 0.832 628 Q CB 2.935 31.600 28.738 -0.121 0.000 1.323 628 Q HN 0.534 nan 8.270 nan 0.000 0.448 629 F N 0.364 120.439 119.950 0.209 0.000 2.563 629 F HA 0.623 5.166 4.527 0.025 0.000 0.316 629 F C 0.393 176.428 175.800 0.392 0.000 1.076 629 F CA -0.856 57.342 58.000 0.330 0.000 0.921 629 F CB 1.967 41.297 39.000 0.551 0.000 1.209 629 F HN 0.144 nan 8.300 nan 0.000 0.462 630 R N 1.503 122.312 120.500 0.516 0.000 2.740 630 R HA 0.733 5.088 4.340 0.025 0.000 0.273 630 R C -2.043 174.328 176.300 0.119 0.000 0.998 630 R CA -1.237 55.081 56.100 0.364 0.000 0.900 630 R CB 3.066 33.479 30.300 0.189 0.000 1.223 630 R HN 0.605 nan 8.270 nan 0.000 0.466 631 L N 0.399 121.573 121.223 -0.081 0.000 2.385 631 L HA 0.520 4.875 4.340 0.025 0.000 0.273 631 L C -1.044 175.692 176.870 -0.223 0.000 0.990 631 L CA -0.020 54.562 54.840 -0.429 0.000 0.821 631 L CB 2.238 43.602 42.059 -1.158 0.000 1.279 631 L HN 0.562 nan 8.230 nan 0.000 0.412 632 S N 3.700 119.288 115.700 -0.187 0.000 2.745 632 S HA 0.686 5.171 4.470 0.025 0.000 0.283 632 S C 0.390 174.908 174.600 -0.138 0.000 1.170 632 S CA 0.269 58.398 58.200 -0.119 0.000 1.119 632 S CB 0.298 63.455 63.200 -0.071 0.000 1.035 632 S HN 1.463 nan 8.310 nan 0.000 0.483 633 G N 4.685 113.401 108.800 -0.138 0.000 2.687 633 G HA2 -0.337 3.638 3.960 0.025 0.000 0.303 633 G HA3 -0.337 3.638 3.960 0.025 0.000 0.303 633 G C 0.186 174.977 174.900 -0.182 0.000 1.209 633 G CA 0.881 45.900 45.100 -0.134 0.000 0.968 633 G HN 1.059 nan 8.290 nan 0.000 0.549 634 Q N 0.919 120.612 119.800 -0.178 0.000 2.157 634 Q HA 0.451 4.805 4.340 0.025 0.000 0.229 634 Q C 0.263 176.121 176.000 -0.237 0.000 0.827 634 Q CA 0.785 56.454 55.803 -0.223 0.000 1.055 634 Q CB -0.515 28.104 28.738 -0.200 0.000 1.157 634 Q HN 0.697 nan 8.270 nan 0.000 0.482 635 T N 0.543 114.970 114.554 -0.212 0.000 2.770 635 T HA 0.642 5.007 4.350 0.025 0.000 0.297 635 T C -0.062 174.516 174.700 -0.203 0.000 0.997 635 T CA -0.453 61.541 62.100 -0.177 0.000 0.949 635 T CB 0.806 69.605 68.868 -0.115 0.000 0.941 635 T HN 0.199 nan 8.240 nan 0.000 0.457 636 I N 2.891 123.347 120.570 -0.190 0.000 2.325 636 I HA 0.259 4.444 4.170 0.025 0.000 0.291 636 I C 0.668 176.789 176.117 0.008 0.000 1.019 636 I CA -0.350 60.869 61.300 -0.136 0.000 1.302 636 I CB 0.883 38.826 38.000 -0.096 0.000 1.401 636 I HN 0.607 nan 8.210 nan 0.000 0.485 637 E N 6.386 126.627 120.200 0.067 0.000 2.151 637 E HA 0.473 4.838 4.350 0.025 0.000 0.275 637 E C -1.512 175.183 176.600 0.158 0.000 0.936 637 E CA -0.653 55.802 56.400 0.090 0.000 0.777 637 E CB 1.704 31.443 29.700 0.065 0.000 1.108 637 E HN 0.338 nan 8.360 nan 0.000 0.401 638 V N 4.054 124.032 119.914 0.107 0.000 2.384 638 V HA 0.321 4.455 4.120 0.025 0.000 0.287 638 V C -0.119 175.985 176.094 0.017 0.000 1.020 638 V CA -0.587 61.729 62.300 0.026 0.000 0.850 638 V CB 1.669 33.530 31.823 0.064 0.000 0.987 638 V HN 0.695 nan 8.190 nan 0.000 0.436 639 T N 3.288 117.821 114.554 -0.034 0.000 2.807 639 T HA 0.364 4.728 4.350 0.025 0.000 0.279 639 T C -0.031 174.691 174.700 0.036 0.000 0.993 639 T CA -0.247 61.855 62.100 0.003 0.000 0.970 639 T CB 1.624 70.475 68.868 -0.027 0.000 0.950 639 T HN 0.670 nan 8.240 nan 0.000 0.441 640 S N 1.667 117.404 115.700 0.062 0.000 2.537 640 S HA 0.224 4.709 4.470 0.025 0.000 0.275 640 S C 0.795 175.305 174.600 -0.150 0.000 1.272 640 S CA -0.525 57.669 58.200 -0.010 0.000 1.050 640 S CB 0.624 63.871 63.200 0.079 0.000 0.961 640 S HN 0.733 nan 8.310 nan 0.000 0.496 641 E N 2.747 122.750 120.200 -0.329 0.000 2.481 641 E HA 0.104 4.469 4.350 0.025 0.000 0.198 641 E C -0.680 175.732 176.600 -0.313 0.000 1.027 641 E CA -0.103 56.115 56.400 -0.304 0.000 0.900 641 E CB 0.293 29.799 29.700 -0.324 0.000 0.993 641 E HN 0.699 nan 8.360 nan 0.000 0.482 642 Y N 0.420 120.597 120.300 -0.204 0.000 2.397 642 Y HA -0.013 4.552 4.550 0.024 0.000 0.335 642 Y C 1.410 177.135 175.900 -0.291 0.000 1.213 642 Y CA -0.019 57.950 58.100 -0.217 0.000 1.391 642 Y CB 0.761 39.084 38.460 -0.230 0.000 1.293 642 Y HN -0.039 nan 8.280 nan 0.000 0.557 643 L N 1.041 122.085 121.223 -0.298 0.000 2.470 643 L HA 0.060 4.415 4.340 0.025 0.000 0.219 643 L C 0.704 177.173 176.870 -0.667 0.000 1.071 643 L CA 0.542 54.961 54.840 -0.701 0.000 0.850 643 L CB 0.042 41.243 42.059 -1.430 0.000 1.040 643 L HN 0.643 nan 8.230 nan 0.000 0.475 644 F N -0.389 119.574 119.950 0.021 0.000 2.577 644 F HA 0.209 4.750 4.527 0.023 0.000 0.276 644 F C 1.344 177.131 175.800 -0.021 0.000 1.032 644 F CA -0.808 57.182 58.000 -0.018 0.000 1.297 644 F CB 0.175 39.143 39.000 -0.053 0.000 1.061 644 F HN -0.164 nan 8.300 nan 0.000 0.680 645 R N 0.754 121.294 120.500 0.067 0.000 2.532 645 R HA 0.327 4.681 4.340 0.025 0.000 0.272 645 R C -0.536 175.761 176.300 -0.006 0.000 1.032 645 R CA -0.539 55.553 56.100 -0.013 0.000 1.089 645 R CB 0.525 30.708 30.300 -0.195 0.000 1.098 645 R HN 0.145 nan 8.270 nan 0.000 0.526 646 H N 0.431 119.487 119.070 -0.023 0.000 2.547 646 H HA 0.041 4.611 4.556 0.025 0.000 0.362 646 H C 0.142 175.499 175.328 0.048 0.000 1.181 646 H CA 0.205 56.274 56.048 0.036 0.000 1.376 646 H CB 1.576 31.363 29.762 0.042 0.000 1.488 646 H HN 0.771 nan 8.280 nan 0.000 0.583 647 S N 1.280 117.112 115.700 0.219 0.000 4.175 647 S HA -0.063 4.422 4.470 0.025 0.000 0.193 647 S C 0.451 175.166 174.600 0.192 0.000 1.373 647 S CA -0.586 57.776 58.200 0.271 0.000 0.908 647 S CB -0.671 62.733 63.200 0.339 0.000 1.547 647 S HN 0.605 nan 8.310 nan 0.000 0.440 648 D N 0.886 121.373 120.400 0.145 0.000 2.325 648 D HA 0.050 4.705 4.640 0.025 0.000 0.225 648 D C 0.272 176.622 176.300 0.083 0.000 1.096 648 D CA -0.274 53.790 54.000 0.107 0.000 0.844 648 D CB -0.318 40.530 40.800 0.081 0.000 0.925 648 D HN 0.499 nan 8.370 nan 0.000 0.513 649 N N 0.138 118.900 118.700 0.102 0.000 2.639 649 N HA 0.149 4.904 4.740 0.025 0.000 0.265 649 N C -1.623 173.959 175.510 0.120 0.000 1.689 649 N CA -0.168 52.936 53.050 0.089 0.000 0.813 649 N CB 0.310 38.838 38.487 0.068 0.000 1.353 649 N HN -0.062 nan 8.380 nan 0.000 0.510 650 E N 0.068 120.335 120.200 0.111 0.000 2.335 650 E HA 0.515 4.879 4.350 0.025 0.000 0.280 650 E C -1.511 175.133 176.600 0.075 0.000 0.918 650 E CA -0.763 55.695 56.400 0.097 0.000 0.765 650 E CB 1.906 31.655 29.700 0.082 0.000 1.218 650 E HN 0.236 nan 8.360 nan 0.000 0.425 651 L N 0.207 121.477 121.223 0.079 0.000 2.409 651 L HA 0.708 5.063 4.340 0.025 0.000 0.262 651 L C -1.522 175.444 176.870 0.159 0.000 0.992 651 L CA -1.125 53.792 54.840 0.129 0.000 0.817 651 L CB 0.752 42.924 42.059 0.188 0.000 1.350 651 L HN 0.535 nan 8.230 nan 0.000 0.411 652 L N 3.062 124.415 121.223 0.217 0.000 2.257 652 L HA 0.618 4.973 4.340 0.025 0.000 0.290 652 L C -0.824 176.306 176.870 0.433 0.000 1.044 652 L CA 0.323 55.331 54.840 0.280 0.000 0.810 652 L CB 0.235 42.450 42.059 0.259 0.000 1.193 652 L HN 0.620 nan 8.230 nan 0.000 0.425 653 H N 5.378 124.541 119.070 0.154 0.000 2.489 653 H HA 0.507 5.077 4.556 0.025 0.000 0.322 653 H C -0.905 174.540 175.328 0.194 0.000 1.091 653 H CA -0.588 55.515 56.048 0.092 0.000 1.291 653 H CB 0.699 30.466 29.762 0.010 0.000 1.436 653 H HN 0.672 nan 8.280 nan 0.000 0.480 654 W N 3.692 125.083 121.300 0.153 0.000 2.915 654 W HA 0.589 5.264 4.660 0.025 0.000 0.337 654 W C -1.700 174.869 176.519 0.082 0.000 1.102 654 W CA -1.343 56.070 57.345 0.114 0.000 1.224 654 W CB 1.476 30.986 29.460 0.084 0.000 1.416 654 W HN 0.551 nan 8.180 nan 0.000 0.503 655 M N 3.711 123.537 119.600 0.376 0.000 2.371 655 M HA 0.583 5.078 4.480 0.025 0.000 0.287 655 M C -2.531 173.971 176.300 0.338 0.000 1.149 655 M CA -0.708 54.701 55.300 0.181 0.000 0.929 655 M CB 1.872 34.479 32.600 0.013 0.000 1.683 655 M HN 0.183 nan 8.290 nan 0.000 0.470 656 V N 4.135 124.243 119.914 0.323 0.000 2.398 656 V HA 1.003 5.138 4.120 0.025 0.000 0.286 656 V C -0.162 176.041 176.094 0.182 0.000 1.026 656 V CA -0.107 62.365 62.300 0.287 0.000 0.868 656 V CB 0.969 32.980 31.823 0.314 0.000 0.982 656 V HN 1.091 nan 8.190 nan 0.000 0.443 657 A N 4.631 127.568 122.820 0.195 0.000 2.454 657 A HA 0.920 5.255 4.320 0.025 0.000 0.302 657 A C -1.426 176.269 177.584 0.184 0.000 1.079 657 A CA -0.647 51.471 52.037 0.135 0.000 0.731 657 A CB 1.779 20.817 19.000 0.064 0.000 1.299 657 A HN 0.860 nan 8.150 nan 0.000 0.413 658 L N 0.989 122.290 121.223 0.131 0.000 2.305 658 L HA 0.540 4.895 4.340 0.025 0.000 0.284 658 L C -0.563 176.398 176.870 0.152 0.000 1.013 658 L CA 0.094 55.025 54.840 0.152 0.000 0.819 658 L CB 0.753 42.872 42.059 0.100 0.000 1.227 658 L HN 0.754 nan 8.230 nan 0.000 0.417 659 D N 4.864 125.414 120.400 0.249 0.000 2.745 659 D HA -0.228 4.427 4.640 0.025 0.000 0.225 659 D C 1.189 177.542 176.300 0.088 0.000 1.212 659 D CA 1.442 55.590 54.000 0.247 0.000 0.632 659 D CB -1.039 39.882 40.800 0.202 0.000 0.994 659 D HN 1.229 nan 8.370 nan 0.000 0.407 660 G N -0.641 108.179 108.800 0.034 0.000 2.225 660 G HA2 -0.392 3.583 3.960 0.025 0.000 0.254 660 G HA3 -0.392 3.583 3.960 0.025 0.000 0.254 660 G C 0.412 175.239 174.900 -0.121 0.000 0.988 660 G CA 0.501 45.507 45.100 -0.157 0.000 0.625 660 G HN 0.479 nan 8.290 nan 0.000 0.527 661 K N 2.227 122.604 120.400 -0.038 0.000 2.273 661 K HA 0.461 4.795 4.320 0.025 0.000 0.287 661 K C -2.371 174.222 176.600 -0.010 0.000 1.089 661 K CA -1.808 54.461 56.287 -0.030 0.000 0.909 661 K CB 1.117 33.617 32.500 -0.000 0.000 1.123 661 K HN 0.095 nan 8.250 nan 0.000 0.473 662 P HA -0.060 nan 4.420 nan 0.000 0.266 662 P C -0.024 177.274 177.300 -0.004 0.000 1.215 662 P CA 0.162 63.247 63.100 -0.025 0.000 0.763 662 P CB 0.682 32.346 31.700 -0.060 0.000 0.806 663 L N 1.994 123.235 121.223 0.029 0.000 2.388 663 L HA 0.425 4.780 4.340 0.025 0.000 0.209 663 L C 0.859 177.755 176.870 0.044 0.000 1.061 663 L CA 0.735 55.602 54.840 0.045 0.000 0.834 663 L CB 0.133 42.240 42.059 0.080 0.000 1.029 663 L HN 0.437 nan 8.230 nan 0.000 0.473 664 A N -0.946 121.902 122.820 0.046 0.000 2.549 664 A HA 0.552 4.887 4.320 0.025 0.000 0.291 664 A C -1.077 176.397 177.584 -0.185 0.000 1.034 664 A CA 0.173 52.209 52.037 -0.001 0.000 0.655 664 A CB 1.214 20.323 19.000 0.182 0.000 1.299 664 A HN 0.105 nan 8.150 nan 0.000 0.427 665 S N -0.835 114.484 115.700 -0.635 0.000 2.578 665 S HA 0.899 5.384 4.470 0.025 0.000 0.272 665 S C -0.258 173.332 174.600 -1.684 0.000 1.145 665 S CA 0.095 57.453 58.200 -1.404 0.000 0.835 665 S CB 0.897 63.705 63.200 -0.655 0.000 1.104 665 S HN 2.580 nan 8.310 nan 0.000 0.458 666 G N -0.132 107.201 108.800 -2.445 0.000 2.827 666 G HA2 0.735 4.710 3.960 0.025 0.000 0.296 666 G HA3 0.735 4.710 3.960 0.025 0.000 0.296 666 G C -1.965 172.508 174.900 -0.711 0.000 1.362 666 G CA -0.738 43.688 45.100 -1.124 0.000 0.809 666 G HN 0.802 nan 8.290 nan 0.000 0.522 667 E N -1.335 118.769 120.200 -0.159 0.000 2.308 667 E HA 0.576 4.941 4.350 0.025 0.000 0.275 667 E C -1.457 175.231 176.600 0.147 0.000 0.890 667 E CA -0.570 55.799 56.400 -0.052 0.000 0.754 667 E CB 3.117 32.688 29.700 -0.216 0.000 1.207 667 E HN 0.317 nan 8.360 nan 0.000 0.426 668 V N 3.126 123.164 119.914 0.207 0.000 2.925 668 V HA 0.484 4.619 4.120 0.025 0.000 0.311 668 V C -2.519 173.665 176.094 0.149 0.000 1.104 668 V CA -1.989 60.415 62.300 0.174 0.000 0.954 668 V CB 2.133 34.071 31.823 0.192 0.000 1.022 668 V HN 0.562 nan 8.190 nan 0.000 0.427 669 P HA 0.431 nan 4.420 nan 0.000 0.285 669 P C -0.948 176.407 177.300 0.093 0.000 1.259 669 P CA -0.235 62.925 63.100 0.101 0.000 0.794 669 P CB 0.778 32.528 31.700 0.083 0.000 0.940 670 L N 3.100 124.371 121.223 0.080 0.000 2.307 670 L HA 0.408 4.763 4.340 0.025 0.000 0.282 670 L C 0.284 177.210 176.870 0.092 0.000 1.051 670 L CA 0.013 54.890 54.840 0.061 0.000 0.804 670 L CB 0.992 43.041 42.059 -0.017 0.000 1.197 670 L HN 0.312 nan 8.230 nan 0.000 0.431 671 D N 3.047 123.510 120.400 0.105 0.000 2.429 671 D HA 0.339 4.994 4.640 0.025 0.000 0.255 671 D C -1.338 175.048 176.300 0.144 0.000 1.257 671 D CA -0.139 53.950 54.000 0.149 0.000 0.890 671 D CB 1.129 42.012 40.800 0.139 0.000 1.267 671 D HN 0.050 nan 8.370 nan 0.000 0.521 672 V N 1.507 121.496 119.914 0.126 0.000 2.540 672 V HA 0.872 5.007 4.120 0.025 0.000 0.302 672 V C 0.876 176.855 176.094 -0.193 0.000 1.035 672 V CA -1.146 61.180 62.300 0.044 0.000 0.873 672 V CB 1.239 33.150 31.823 0.146 0.000 0.992 672 V HN 0.552 nan 8.190 nan 0.000 0.428 673 A N 6.491 129.090 122.820 -0.367 0.000 2.296 673 A HA 0.735 5.069 4.320 0.025 0.000 0.264 673 A C -2.340 175.053 177.584 -0.317 0.000 1.097 673 A CA -1.531 50.005 52.037 -0.834 0.000 0.811 673 A CB -0.158 18.583 19.000 -0.431 0.000 1.072 673 A HN 0.682 nan 8.150 nan 0.000 0.495 674 P HA 0.061 nan 4.420 nan 0.000 0.263 674 P C -0.565 176.688 177.300 -0.079 0.000 1.195 674 P CA 0.615 63.665 63.100 -0.083 0.000 0.762 674 P CB 0.769 32.432 31.700 -0.062 0.000 0.799 675 Q N -0.785 118.975 119.800 -0.067 0.000 2.342 675 Q HA -0.144 4.211 4.340 0.025 0.000 0.196 675 Q C 0.761 176.738 176.000 -0.040 0.000 0.629 675 Q CA 1.810 57.575 55.803 -0.063 0.000 1.365 675 Q CB -2.531 26.168 28.738 -0.065 0.000 1.406 675 Q HN 0.734 nan 8.270 nan 0.000 0.840 676 G N 0.309 109.088 108.800 -0.035 0.000 2.537 676 G HA2 0.546 4.521 3.960 0.025 0.000 0.297 676 G HA3 0.546 4.521 3.960 0.025 0.000 0.297 676 G C -0.181 174.725 174.900 0.011 0.000 1.310 676 G CA -0.533 44.558 45.100 -0.015 0.000 1.027 676 G HN -0.018 nan 8.290 nan 0.000 0.505 677 K N -0.530 119.883 120.400 0.020 0.000 2.385 677 K HA 0.446 4.781 4.320 0.025 0.000 0.248 677 K C -0.982 175.643 176.600 0.042 0.000 0.955 677 K CA -0.658 55.648 56.287 0.032 0.000 0.816 677 K CB 2.624 35.139 32.500 0.024 0.000 1.250 677 K HN 0.564 nan 8.250 nan 0.000 0.434 678 Q N 2.544 122.375 119.800 0.051 0.000 2.347 678 Q HA 0.403 4.758 4.340 0.025 0.000 0.271 678 Q C -1.599 174.430 176.000 0.048 0.000 1.064 678 Q CA -0.680 55.155 55.803 0.053 0.000 0.800 678 Q CB 1.535 30.312 28.738 0.065 0.000 1.304 678 Q HN 0.549 nan 8.270 nan 0.000 0.438 679 L N 5.044 126.288 121.223 0.035 0.000 2.282 679 L HA 0.534 4.888 4.340 0.025 0.000 0.288 679 L C -0.554 176.323 176.870 0.011 0.000 1.033 679 L CA -0.651 54.200 54.840 0.018 0.000 0.807 679 L CB 1.304 43.365 42.059 0.005 0.000 1.209 679 L HN 0.629 nan 8.230 nan 0.000 0.423 680 I N 3.291 123.858 120.570 -0.004 0.000 2.382 680 I HA 0.219 4.404 4.170 0.025 0.000 0.286 680 I C 0.013 176.077 176.117 -0.087 0.000 1.002 680 I CA -0.316 60.969 61.300 -0.025 0.000 1.135 680 I CB 1.851 39.846 38.000 -0.008 0.000 1.288 680 I HN 0.563 nan 8.210 nan 0.000 0.448 681 E N 7.026 127.176 120.200 -0.084 0.000 2.167 681 E HA 0.389 4.754 4.350 0.025 0.000 0.284 681 E C -0.866 175.624 176.600 -0.183 0.000 1.016 681 E CA -0.582 55.745 56.400 -0.122 0.000 0.817 681 E CB 1.281 30.931 29.700 -0.082 0.000 1.080 681 E HN 0.479 nan 8.360 nan 0.000 0.397 682 L N 5.538 126.596 121.223 -0.275 0.000 2.418 682 L HA 0.294 4.649 4.340 0.025 0.000 0.265 682 L C -1.845 174.876 176.870 -0.249 0.000 1.143 682 L CA -1.920 52.683 54.840 -0.396 0.000 0.809 682 L CB 0.194 41.884 42.059 -0.615 0.000 1.124 682 L HN 0.344 nan 8.230 nan 0.000 0.456 683 P HA -0.062 nan 4.420 nan 0.000 0.270 683 P C -0.536 176.716 177.300 -0.081 0.000 1.221 683 P CA -0.218 62.836 63.100 -0.076 0.000 0.788 683 P CB 0.389 32.116 31.700 0.044 0.000 0.904 684 E N 1.043 121.225 120.200 -0.031 0.000 2.360 684 E HA 0.100 4.465 4.350 0.025 0.000 0.269 684 E C -0.972 175.625 176.600 -0.005 0.000 1.022 684 E CA -0.153 56.231 56.400 -0.026 0.000 0.887 684 E CB 0.166 29.860 29.700 -0.010 0.000 0.990 684 E HN 0.265 nan 8.360 nan 0.000 0.426 685 L N 6.902 128.117 121.223 -0.014 0.000 2.287 685 L HA 0.368 4.723 4.340 0.025 0.000 0.287 685 L C -2.089 174.790 176.870 0.015 0.000 1.022 685 L CA -1.931 52.918 54.840 0.016 0.000 0.814 685 L CB 1.407 43.482 42.059 0.027 0.000 1.217 685 L HN 0.414 nan 8.230 nan 0.000 0.420 686 P HA 0.165 nan 4.420 nan 0.000 0.271 686 P C -0.760 176.553 177.300 0.022 0.000 1.216 686 P CA -0.548 62.566 63.100 0.023 0.000 0.776 686 P CB 0.548 32.266 31.700 0.030 0.000 0.881 687 Q N 3.217 123.026 119.800 0.016 0.000 2.432 687 Q HA 0.181 4.535 4.340 0.025 0.000 0.264 687 Q C -1.807 174.206 176.000 0.022 0.000 1.035 687 Q CA -0.472 55.341 55.803 0.016 0.000 0.908 687 Q CB -0.720 28.024 28.738 0.010 0.000 1.280 687 Q HN 0.373 nan 8.270 nan 0.000 0.455 688 P HA 0.063 nan 4.420 nan 0.000 0.277 688 P C -0.194 177.121 177.300 0.025 0.000 1.240 688 P CA -0.258 62.860 63.100 0.029 0.000 0.798 688 P CB 0.879 32.600 31.700 0.036 0.000 0.979 689 E N 0.213 120.428 120.200 0.025 0.000 2.086 689 E HA -0.147 4.218 4.350 0.025 0.000 0.200 689 E C 0.940 177.554 176.600 0.023 0.000 1.012 689 E CA 1.750 58.163 56.400 0.022 0.000 0.812 689 E CB -0.003 29.710 29.700 0.022 0.000 0.743 689 E HN 0.658 nan 8.360 nan 0.000 0.453 690 S N -1.096 114.621 115.700 0.028 0.000 2.903 690 S HA 0.647 5.132 4.470 0.025 0.000 0.314 690 S C -0.572 174.049 174.600 0.035 0.000 1.177 690 S CA -0.478 57.740 58.200 0.030 0.000 0.859 690 S CB 1.499 64.718 63.200 0.033 0.000 1.265 690 S HN 0.152 nan 8.310 nan 0.000 0.584 691 A N -0.307 122.536 122.820 0.037 0.000 2.366 691 A HA 0.776 5.110 4.320 0.025 0.000 0.249 691 A C 0.948 178.564 177.584 0.054 0.000 1.084 691 A CA 0.386 52.448 52.037 0.041 0.000 0.794 691 A CB -0.789 18.236 19.000 0.041 0.000 1.034 691 A HN 2.458 nan 8.150 nan 0.000 0.491 692 G N -0.646 108.185 108.800 0.053 0.000 2.346 692 G HA2 0.402 4.376 3.960 0.025 0.000 0.294 692 G HA3 0.402 4.376 3.960 0.025 0.000 0.294 692 G C -1.100 173.835 174.900 0.059 0.000 1.294 692 G CA -0.169 44.976 45.100 0.074 0.000 0.962 692 G HN 1.112 nan 8.290 nan 0.000 0.508 693 Q N -0.048 119.809 119.800 0.095 0.000 2.314 693 Q HA 0.717 5.072 4.340 0.025 0.000 0.259 693 Q C -0.256 175.809 176.000 0.108 0.000 0.951 693 Q CA -0.488 55.333 55.803 0.029 0.000 0.909 693 Q CB 1.151 29.875 28.738 -0.023 0.000 1.236 693 Q HN 0.557 nan 8.270 nan 0.000 0.444 694 L N 4.451 125.667 121.223 -0.011 0.000 2.305 694 L HA 0.437 4.792 4.340 0.025 0.000 0.281 694 L C -0.814 176.056 176.870 0.000 0.000 1.085 694 L CA -0.381 54.497 54.840 0.064 0.000 0.813 694 L CB 0.668 42.745 42.059 0.031 0.000 1.157 694 L HN 0.672 nan 8.230 nan 0.000 0.436 695 W N 4.606 125.953 121.300 0.080 0.000 2.656 695 W HA 0.478 5.153 4.660 0.024 0.000 0.327 695 W C -0.794 175.822 176.519 0.162 0.000 1.041 695 W CA -0.522 56.890 57.345 0.113 0.000 1.229 695 W CB 1.722 31.259 29.460 0.128 0.000 1.397 695 W HN 0.136 nan 8.180 nan 0.000 0.479 696 L N 3.909 125.403 121.223 0.452 0.000 2.287 696 L HA 0.719 5.074 4.340 0.025 0.000 0.287 696 L C -0.323 176.862 176.870 0.526 0.000 1.022 696 L CA 0.161 55.261 54.840 0.433 0.000 0.814 696 L CB 1.066 43.331 42.059 0.342 0.000 1.217 696 L HN 0.301 nan 8.230 nan 0.000 0.420 697 T N 5.124 119.930 114.554 0.420 0.000 2.829 697 T HA 0.702 5.066 4.350 0.025 0.000 0.280 697 T C -0.639 174.265 174.700 0.339 0.000 0.999 697 T CA -0.399 61.908 62.100 0.346 0.000 0.983 697 T CB 1.633 70.642 68.868 0.235 0.000 0.968 697 T HN 0.625 nan 8.240 nan 0.000 0.446 698 V N 1.448 121.533 119.914 0.285 0.000 2.914 698 V HA 0.891 5.026 4.120 0.025 0.000 0.314 698 V C -0.956 175.236 176.094 0.163 0.000 1.084 698 V CA -1.204 61.240 62.300 0.241 0.000 0.963 698 V CB 2.209 34.161 31.823 0.216 0.000 1.025 698 V HN 0.823 nan 8.190 nan 0.000 0.432 699 R N 1.692 122.306 120.500 0.190 0.000 2.651 699 R HA 0.766 5.121 4.340 0.025 0.000 0.278 699 R C -1.660 174.745 176.300 0.174 0.000 1.010 699 R CA -0.614 55.606 56.100 0.199 0.000 0.896 699 R CB 2.610 32.975 30.300 0.110 0.000 1.211 699 R HN 0.779 nan 8.270 nan 0.000 0.456 700 V N 4.203 124.258 119.914 0.235 0.000 2.385 700 V HA 0.309 4.444 4.120 0.025 0.000 0.269 700 V C -0.210 175.941 176.094 0.094 0.000 1.043 700 V CA -0.538 61.860 62.300 0.164 0.000 0.906 700 V CB 1.373 33.306 31.823 0.183 0.000 0.995 700 V HN 0.425 nan 8.190 nan 0.000 0.467 701 V N 5.364 125.265 119.914 -0.022 0.000 2.483 701 V HA 0.373 4.508 4.120 0.025 0.000 0.295 701 V C -0.063 176.049 176.094 0.029 0.000 1.035 701 V CA -0.701 61.553 62.300 -0.077 0.000 0.896 701 V CB 1.831 33.442 31.823 -0.352 0.000 0.986 701 V HN 0.895 nan 8.190 nan 0.000 0.447 702 Q N 6.060 125.913 119.800 0.087 0.000 2.360 702 Q HA 0.279 4.634 4.340 0.025 0.000 0.254 702 Q C -1.715 174.314 176.000 0.049 0.000 0.975 702 Q CA -1.738 54.125 55.803 0.101 0.000 0.912 702 Q CB 1.873 30.691 28.738 0.133 0.000 1.212 702 Q HN 0.478 nan 8.270 nan 0.000 0.452 703 P HA -0.126 nan 4.420 nan 0.000 0.222 703 P C -0.596 176.711 177.300 0.013 0.000 1.153 703 P CA 0.975 64.095 63.100 0.034 0.000 0.798 703 P CB 0.442 32.171 31.700 0.049 0.000 0.796 704 N N -0.538 118.162 118.700 0.001 0.000 2.417 704 N HA 0.466 5.221 4.740 0.025 0.000 0.300 704 N C -0.387 175.078 175.510 -0.074 0.000 1.102 704 N CA -0.733 52.301 53.050 -0.026 0.000 0.886 704 N CB 1.101 39.578 38.487 -0.017 0.000 1.203 704 N HN -0.081 nan 8.380 nan 0.000 0.496 705 A N 0.511 123.279 122.820 -0.087 0.000 2.366 705 A HA 0.493 4.828 4.320 0.025 0.000 0.249 705 A C 0.529 177.996 177.584 -0.195 0.000 1.084 705 A CA -0.063 51.883 52.037 -0.151 0.000 0.794 705 A CB 0.013 18.950 19.000 -0.105 0.000 1.034 705 A HN 0.704 nan 8.150 nan 0.000 0.491 706 T N -2.897 111.455 114.554 -0.337 0.000 2.773 706 T HA 0.628 4.992 4.350 0.025 0.000 0.278 706 T C 0.975 175.517 174.700 -0.263 0.000 1.011 706 T CA 0.049 61.935 62.100 -0.356 0.000 1.014 706 T CB 1.164 69.592 68.868 -0.734 0.000 1.293 706 T HN 1.337 nan 8.240 nan 0.000 0.554 707 A N 0.038 122.807 122.820 -0.085 0.000 2.015 707 A HA 0.092 4.427 4.320 0.025 0.000 0.219 707 A C 1.779 179.485 177.584 0.204 0.000 1.163 707 A CA 1.167 53.260 52.037 0.093 0.000 0.646 707 A CB -0.896 18.210 19.000 0.176 0.000 0.806 707 A HN 0.926 nan 8.150 nan 0.000 0.448 708 W N -0.246 121.117 121.300 0.106 0.000 3.127 708 W HA 0.392 5.068 4.660 0.026 0.000 0.344 708 W C -0.107 176.380 176.519 -0.054 0.000 1.151 708 W CA 0.547 57.920 57.345 0.046 0.000 1.765 708 W CB -1.089 28.386 29.460 0.025 0.000 1.085 708 W HN 0.418 nan 8.180 nan 0.000 0.596 709 S N -0.171 115.075 115.700 -0.755 0.000 2.625 709 S HA 0.411 4.896 4.470 0.025 0.000 0.271 709 S C -0.873 173.494 174.600 -0.388 0.000 1.161 709 S CA -0.856 56.953 58.200 -0.653 0.000 0.820 709 S CB 2.609 65.088 63.200 -1.202 0.000 1.137 709 S HN 0.092 nan 8.310 nan 0.000 0.470 710 E N 0.507 120.582 120.200 -0.208 0.000 2.313 710 E HA 0.535 4.900 4.350 0.025 0.000 0.272 710 E C 0.178 176.742 176.600 -0.060 0.000 1.038 710 E CA -0.619 55.729 56.400 -0.087 0.000 0.863 710 E CB 1.554 31.250 29.700 -0.007 0.000 1.060 710 E HN 0.832 nan 8.360 nan 0.000 0.402 711 A N 1.020 123.814 122.820 -0.044 0.000 2.498 711 A HA 0.389 4.724 4.320 0.025 0.000 0.239 711 A C 1.151 178.742 177.584 0.012 0.000 1.068 711 A CA 0.820 52.844 52.037 -0.022 0.000 0.766 711 A CB -0.229 18.762 19.000 -0.015 0.000 1.003 711 A HN 0.814 nan 8.150 nan 0.000 0.497 712 G N 0.411 109.226 108.800 0.025 0.000 2.175 712 G HA2 -0.228 3.747 3.960 0.025 0.000 0.244 712 G HA3 -0.228 3.747 3.960 0.025 0.000 0.244 712 G C 0.186 175.109 174.900 0.039 0.000 0.982 712 G CA 0.647 45.759 45.100 0.020 0.000 0.641 712 G HN 1.719 nan 8.290 nan 0.000 0.527 713 H N 0.279 119.336 119.070 -0.021 0.000 2.790 713 H HA 0.541 5.112 4.556 0.024 0.000 0.358 713 H C 0.513 175.883 175.328 0.069 0.000 1.103 713 H CA 0.189 56.249 56.048 0.021 0.000 1.426 713 H CB 0.310 30.066 29.762 -0.010 0.000 1.424 713 H HN 0.241 nan 8.280 nan 0.000 0.599 714 I N 4.284 124.550 120.570 -0.507 0.000 2.312 714 I HA 0.065 4.249 4.170 0.025 0.000 0.290 714 I C 0.888 176.870 176.117 -0.225 0.000 1.008 714 I CA -0.036 61.126 61.300 -0.229 0.000 1.226 714 I CB 1.624 39.551 38.000 -0.122 0.000 1.371 714 I HN 0.793 nan 8.210 nan 0.000 0.468 715 S N 4.371 120.158 115.700 0.145 0.000 2.503 715 S HA 0.529 5.014 4.470 0.025 0.000 0.215 715 S C 0.559 175.454 174.600 0.491 0.000 1.003 715 S CA 0.130 58.571 58.200 0.402 0.000 0.910 715 S CB 0.444 63.999 63.200 0.591 0.000 0.790 715 S HN 0.690 nan 8.310 nan 0.000 0.514 716 A N 0.309 123.449 122.820 0.535 0.000 2.605 716 A HA 0.654 4.989 4.320 0.025 0.000 0.294 716 A C -1.701 176.262 177.584 0.631 0.000 1.062 716 A CA -0.848 51.492 52.037 0.505 0.000 0.682 716 A CB 0.400 19.756 19.000 0.593 0.000 1.278 716 A HN 0.955 nan 8.150 nan 0.000 0.410 717 W N -0.079 121.383 121.300 0.269 0.000 3.005 717 W HA 0.817 5.493 4.660 0.026 0.000 0.343 717 W C -1.252 175.260 176.519 -0.013 0.000 1.243 717 W CA -0.617 56.762 57.345 0.056 0.000 1.186 717 W CB 1.184 30.655 29.460 0.018 0.000 1.453 717 W HN 1.016 nan 8.180 nan 0.000 0.575 718 Q N 0.996 120.790 119.800 -0.009 0.000 2.666 718 Q HA 0.371 4.726 4.340 0.025 0.000 0.276 718 Q C -1.627 174.189 176.000 -0.307 0.000 0.952 718 Q CA -0.465 55.173 55.803 -0.274 0.000 0.850 718 Q CB 2.233 30.534 28.738 -0.728 0.000 1.512 718 Q HN 0.635 nan 8.270 nan 0.000 0.395 719 Q N 1.237 120.818 119.800 -0.364 0.000 2.433 719 Q HA 0.673 5.028 4.340 0.025 0.000 0.279 719 Q C -1.082 174.812 176.000 -0.176 0.000 1.105 719 Q CA -0.702 55.081 55.803 -0.033 0.000 0.815 719 Q CB 2.450 31.365 28.738 0.295 0.000 1.403 719 Q HN 0.589 nan 8.270 nan 0.000 0.435 720 W N 0.755 122.194 121.300 0.233 0.000 3.127 720 W HA 0.446 5.121 4.660 0.024 0.000 0.330 720 W C -0.383 176.036 176.519 -0.166 0.000 1.187 720 W CA -0.691 56.691 57.345 0.062 0.000 1.198 720 W CB 1.836 31.305 29.460 0.015 0.000 1.408 720 W HN 0.442 nan 8.180 nan 0.000 0.529 721 R N 1.302 121.637 120.500 -0.274 0.000 2.539 721 R HA 0.459 4.814 4.340 0.025 0.000 0.275 721 R C 0.631 176.766 176.300 -0.274 0.000 1.077 721 R CA -0.038 55.630 56.100 -0.720 0.000 1.097 721 R CB 1.010 30.834 30.300 -0.793 0.000 1.018 721 R HN 0.321 nan 8.270 nan 0.000 0.483 722 L N 1.001 122.077 121.223 -0.246 0.000 2.719 722 L HA 0.535 4.889 4.340 0.025 0.000 0.182 722 L C 0.454 177.239 176.870 -0.141 0.000 1.940 722 L CA -1.055 53.707 54.840 -0.130 0.000 2.839 722 L CB -0.161 41.861 42.059 -0.062 0.000 2.949 722 L HN 0.589 nan 8.230 nan 0.000 0.669 723 A N 0.307 123.072 122.820 -0.093 0.000 2.407 723 A HA 0.243 4.578 4.320 0.025 0.000 0.248 723 A C -0.356 177.178 177.584 -0.083 0.000 1.082 723 A CA 0.140 52.131 52.037 -0.077 0.000 0.785 723 A CB 0.200 19.173 19.000 -0.046 0.000 1.020 723 A HN 0.592 nan 8.150 nan 0.000 0.489 724 E N 1.147 121.304 120.200 -0.073 0.000 2.222 724 E HA 0.350 4.715 4.350 0.025 0.000 0.267 724 E C -1.352 175.233 176.600 -0.025 0.000 0.884 724 E CA -0.694 55.672 56.400 -0.057 0.000 0.764 724 E CB 0.843 30.502 29.700 -0.069 0.000 1.169 724 E HN 0.679 nan 8.360 nan 0.000 0.413 725 N N 4.996 123.693 118.700 -0.005 0.000 2.524 725 N HA 0.263 5.018 4.740 0.025 0.000 0.261 725 N C -0.726 174.793 175.510 0.015 0.000 0.998 725 N CA -0.375 52.679 53.050 0.005 0.000 0.915 725 N CB 1.200 39.693 38.487 0.010 0.000 1.187 725 N HN 0.474 nan 8.380 nan 0.000 0.507 726 L N 0.777 122.009 121.223 0.014 0.000 2.453 726 L HA 0.119 4.474 4.340 0.025 0.000 0.272 726 L C 1.318 178.205 176.870 0.029 0.000 1.182 726 L CA 0.013 54.867 54.840 0.023 0.000 0.858 726 L CB 0.511 42.583 42.059 0.021 0.000 1.120 726 L HN 0.374 nan 8.230 nan 0.000 0.474 727 S N 1.859 117.582 115.700 0.037 0.000 2.488 727 S HA 0.206 4.691 4.470 0.025 0.000 0.278 727 S C 0.657 175.278 174.600 0.035 0.000 1.259 727 S CA -0.776 57.447 58.200 0.038 0.000 1.061 727 S CB 0.555 63.783 63.200 0.047 0.000 0.910 727 S HN 0.470 nan 8.310 nan 0.000 0.491 728 V N 2.412 122.344 119.914 0.029 0.000 3.477 728 V HA 0.327 4.462 4.120 0.025 0.000 0.297 728 V C 0.872 176.981 176.094 0.026 0.000 1.433 728 V CA 0.178 62.493 62.300 0.026 0.000 1.052 728 V CB -0.647 31.189 31.823 0.021 0.000 0.895 728 V HN 0.859 nan 8.190 nan 0.000 0.438 729 T N 2.410 116.981 114.554 0.028 0.000 2.794 729 T HA 0.596 4.960 4.350 0.025 0.000 0.296 729 T C 0.006 174.723 174.700 0.029 0.000 0.949 729 T CA -0.446 61.670 62.100 0.027 0.000 1.101 729 T CB 0.653 69.537 68.868 0.027 0.000 0.905 729 T HN 0.564 nan 8.240 nan 0.000 0.516 730 L N 3.213 124.453 121.223 0.027 0.000 2.452 730 L HA 0.663 5.018 4.340 0.025 0.000 0.267 730 L C -2.226 174.661 176.870 0.028 0.000 1.188 730 L CA -1.714 53.143 54.840 0.027 0.000 0.821 730 L CB -0.974 41.099 42.059 0.024 0.000 1.102 730 L HN 0.379 nan 8.230 nan 0.000 0.470 731 P HA 0.412 nan 4.420 nan 0.000 0.282 731 P C -0.949 176.367 177.300 0.026 0.000 1.259 731 P CA -0.604 62.512 63.100 0.027 0.000 0.826 731 P CB 1.265 32.980 31.700 0.025 0.000 1.064 732 A N 1.662 124.499 122.820 0.028 0.000 2.492 732 A HA 0.433 4.767 4.320 0.025 0.000 0.254 732 A C 0.632 178.230 177.584 0.023 0.000 1.091 732 A CA -0.123 51.936 52.037 0.037 0.000 0.768 732 A CB -0.630 18.401 19.000 0.052 0.000 1.028 732 A HN 0.603 nan 8.150 nan 0.000 0.498 733 A N 4.127 126.971 122.820 0.041 0.000 2.496 733 A HA 0.448 4.783 4.320 0.025 0.000 0.278 733 A C 0.955 178.554 177.584 0.025 0.000 1.137 733 A CA 0.102 52.160 52.037 0.035 0.000 0.805 733 A CB -0.895 18.132 19.000 0.045 0.000 1.077 733 A HN 1.315 nan 8.150 nan 0.000 0.513 734 S N 2.448 118.127 115.700 -0.036 0.000 2.817 734 S HA -0.115 4.369 4.470 0.025 0.000 0.333 734 S C 0.390 174.967 174.600 -0.039 0.000 1.227 734 S CA 0.941 59.077 58.200 -0.105 0.000 1.027 734 S CB -0.295 62.871 63.200 -0.057 0.000 0.732 734 S HN 0.824 nan 8.310 nan 0.000 0.499 735 H N 0.150 119.237 119.070 0.028 0.000 2.708 735 H HA 0.580 5.151 4.556 0.025 0.000 0.309 735 H C 0.407 175.752 175.328 0.028 0.000 1.084 735 H CA 0.117 56.180 56.048 0.024 0.000 1.165 735 H CB -0.232 29.543 29.762 0.021 0.000 1.388 735 H HN 0.732 nan 8.280 nan 0.000 0.553 736 A N 1.127 123.992 122.820 0.076 0.000 2.586 736 A HA 0.494 4.828 4.320 0.025 0.000 0.291 736 A C -1.705 175.907 177.584 0.046 0.000 1.062 736 A CA -0.891 51.184 52.037 0.065 0.000 0.666 736 A CB 0.972 20.012 19.000 0.066 0.000 1.281 736 A HN 0.303 nan 8.150 nan 0.000 0.421 737 I N 0.304 120.906 120.570 0.053 0.000 2.447 737 I HA 0.738 4.923 4.170 0.025 0.000 0.287 737 I C -2.765 173.389 176.117 0.062 0.000 1.023 737 I CA -2.041 59.284 61.300 0.041 0.000 1.083 737 I CB 2.049 40.065 38.000 0.027 0.000 1.245 737 I HN 0.347 nan 8.210 nan 0.000 0.434 738 P HA 0.055 nan 4.420 nan 0.000 0.267 738 P C -1.247 176.101 177.300 0.079 0.000 1.200 738 P CA 0.270 63.412 63.100 0.070 0.000 0.772 738 P CB 0.257 31.953 31.700 -0.008 0.000 0.855 739 H N 2.839 121.940 119.070 0.050 0.000 2.511 739 H HA 0.346 4.916 4.556 0.025 0.000 0.328 739 H C -1.015 174.343 175.328 0.050 0.000 1.044 739 H CA -0.894 55.178 56.048 0.039 0.000 1.212 739 H CB 0.951 30.736 29.762 0.038 0.000 1.428 739 H HN 0.228 nan 8.280 nan 0.000 0.483 740 L N 5.067 125.914 121.223 -0.627 0.000 2.326 740 L HA 0.325 4.680 4.340 0.025 0.000 0.278 740 L C -0.640 176.076 176.870 -0.257 0.000 1.092 740 L CA 0.092 54.742 54.840 -0.317 0.000 0.810 740 L CB 1.324 43.223 42.059 -0.267 0.000 1.153 740 L HN 0.570 nan 8.230 nan 0.000 0.439 741 T N 3.359 117.947 114.554 0.055 0.000 2.840 741 T HA 0.529 4.894 4.350 0.025 0.000 0.287 741 T C -0.475 174.342 174.700 0.195 0.000 0.991 741 T CA -0.477 61.717 62.100 0.157 0.000 0.964 741 T CB 1.217 70.205 68.868 0.200 0.000 0.954 741 T HN 0.687 nan 8.240 nan 0.000 0.438 742 T N 2.705 117.368 114.554 0.182 0.000 2.855 742 T HA 0.788 5.152 4.350 0.025 0.000 0.281 742 T C -0.163 174.591 174.700 0.090 0.000 1.007 742 T CA -0.826 61.404 62.100 0.216 0.000 1.009 742 T CB 1.354 70.379 68.868 0.260 0.000 0.983 742 T HN 0.740 nan 8.240 nan 0.000 0.455 743 S N 1.242 116.948 115.700 0.009 0.000 2.596 743 S HA 0.417 4.902 4.470 0.025 0.000 0.270 743 S C 0.562 175.103 174.600 -0.099 0.000 1.155 743 S CA -0.919 57.267 58.200 -0.023 0.000 0.827 743 S CB 1.488 64.685 63.200 -0.006 0.000 1.130 743 S HN 0.426 nan 8.310 nan 0.000 0.467 744 E N 1.070 121.225 120.200 -0.074 0.000 2.065 744 E HA -0.168 4.197 4.350 0.025 0.000 0.201 744 E C 1.821 178.329 176.600 -0.153 0.000 1.016 744 E CA 1.708 58.047 56.400 -0.103 0.000 0.818 744 E CB -0.551 29.114 29.700 -0.059 0.000 0.749 744 E HN 0.621 nan 8.360 nan 0.000 0.453 745 M N 0.771 120.309 119.600 -0.102 0.000 2.082 745 M HA -0.121 4.374 4.480 0.025 0.000 0.258 745 M C 0.413 176.638 176.300 -0.125 0.000 1.071 745 M CA 1.593 56.842 55.300 -0.085 0.000 1.103 745 M CB -1.041 31.541 32.600 -0.030 0.000 1.307 745 M HN 0.007 nan 8.290 nan 0.000 0.409 746 D N -3.445 116.877 120.400 -0.130 0.000 2.744 746 D HA 0.493 5.148 4.640 0.025 0.000 0.304 746 D C -1.258 174.952 176.300 -0.150 0.000 1.179 746 D CA -0.561 53.365 54.000 -0.123 0.000 1.024 746 D CB 1.141 41.978 40.800 0.062 0.000 1.453 746 D HN -0.030 nan 8.370 nan 0.000 0.529 747 F N 0.565 120.591 119.950 0.128 0.000 2.449 747 F HA 0.485 5.027 4.527 0.025 0.000 0.342 747 F C -0.448 175.467 175.800 0.192 0.000 1.127 747 F CA -0.862 57.200 58.000 0.103 0.000 0.975 747 F CB 1.203 40.214 39.000 0.018 0.000 1.146 747 F HN 0.167 nan 8.300 nan 0.000 0.444 748 C N 4.573 124.078 119.300 0.342 0.000 2.382 748 C HA 0.722 5.197 4.460 0.025 0.000 0.327 748 C C -0.294 174.857 174.990 0.268 0.000 1.250 748 C CA -0.851 58.349 59.018 0.304 0.000 1.707 748 C CB 0.625 28.495 27.740 0.216 0.000 2.272 748 C HN 0.485 nan 8.230 nan 0.000 0.506 749 I N 2.414 123.198 120.570 0.357 0.000 2.406 749 I HA 0.517 4.702 4.170 0.025 0.000 0.290 749 I C -0.138 176.261 176.117 0.470 0.000 0.999 749 I CA -0.276 61.232 61.300 0.347 0.000 1.124 749 I CB 1.265 39.403 38.000 0.229 0.000 1.289 749 I HN 0.639 nan 8.210 nan 0.000 0.441 750 E N 5.231 125.646 120.200 0.357 0.000 2.234 750 E HA 0.782 5.147 4.350 0.025 0.000 0.266 750 E C -1.757 175.025 176.600 0.304 0.000 0.877 750 E CA -0.661 55.922 56.400 0.305 0.000 0.758 750 E CB 1.881 31.682 29.700 0.168 0.000 1.170 750 E HN 0.519 nan 8.360 nan 0.000 0.415 751 L N 5.020 126.427 121.223 0.306 0.000 2.620 751 L HA 0.561 4.916 4.340 0.025 0.000 0.261 751 L C 0.296 177.257 176.870 0.152 0.000 0.978 751 L CA 0.650 55.640 54.840 0.250 0.000 0.897 751 L CB 1.112 43.361 42.059 0.318 0.000 1.207 751 L HN 0.730 nan 8.230 nan 0.000 0.425 752 G N 4.279 113.134 108.800 0.091 0.000 2.660 752 G HA2 -0.466 3.509 3.960 0.025 0.000 0.321 752 G HA3 -0.466 3.509 3.960 0.025 0.000 0.321 752 G C 0.699 175.606 174.900 0.011 0.000 1.246 752 G CA 0.769 45.896 45.100 0.045 0.000 1.000 752 G HN 1.119 nan 8.290 nan 0.000 0.550 753 N N 1.502 120.197 118.700 -0.009 0.000 2.467 753 N HA 0.081 4.836 4.740 0.025 0.000 0.184 753 N C 0.734 176.191 175.510 -0.087 0.000 1.106 753 N CA 1.296 54.320 53.050 -0.043 0.000 0.892 753 N CB 0.062 38.523 38.487 -0.043 0.000 0.969 753 N HN 0.748 nan 8.380 nan 0.000 0.454 754 K N -0.025 120.310 120.400 -0.110 0.000 2.106 754 K HA 0.463 4.798 4.320 0.025 0.000 0.246 754 K C -0.317 176.101 176.600 -0.303 0.000 0.987 754 K CA -0.757 55.334 56.287 -0.327 0.000 0.904 754 K CB 1.566 33.742 32.500 -0.541 0.000 1.071 754 K HN 0.082 nan 8.250 nan 0.000 0.453 755 R N 0.815 121.016 120.500 -0.497 0.000 2.561 755 R HA 0.265 4.619 4.340 0.025 0.000 0.266 755 R C -1.982 174.257 176.300 -0.101 0.000 1.091 755 R CA -0.581 55.462 56.100 -0.095 0.000 0.927 755 R CB 1.120 31.392 30.300 -0.047 0.000 1.240 755 R HN 0.613 nan 8.270 nan 0.000 0.449 756 W N 4.250 125.662 121.300 0.186 0.000 2.538 756 W HA 0.318 4.993 4.660 0.025 0.000 0.322 756 W C -0.708 175.908 176.519 0.160 0.000 1.028 756 W CA -0.721 56.688 57.345 0.107 0.000 1.228 756 W CB 2.219 31.719 29.460 0.067 0.000 1.356 756 W HN 0.520 nan 8.180 nan 0.000 0.452 757 Q N 3.300 123.263 119.800 0.272 0.000 2.340 757 Q HA 0.327 4.682 4.340 0.025 0.000 0.259 757 Q C -1.634 174.356 176.000 -0.017 0.000 0.964 757 Q CA -0.396 55.554 55.803 0.245 0.000 0.900 757 Q CB 0.812 29.784 28.738 0.391 0.000 1.228 757 Q HN 0.347 nan 8.270 nan 0.000 0.449 758 F N 3.611 123.656 119.950 0.158 0.000 2.361 758 F HA 0.236 4.778 4.527 0.025 0.000 0.364 758 F C 0.698 176.550 175.800 0.087 0.000 1.117 758 F CA -0.836 57.226 58.000 0.103 0.000 1.071 758 F CB 0.888 39.949 39.000 0.101 0.000 1.188 758 F HN 0.510 nan 8.300 nan 0.000 0.464 759 N N 3.593 122.419 118.700 0.208 0.000 2.468 759 N HA 0.025 4.780 4.740 0.025 0.000 0.265 759 N C 0.993 176.556 175.510 0.089 0.000 1.199 759 N CA 0.222 53.352 53.050 0.133 0.000 0.928 759 N CB 0.728 39.290 38.487 0.124 0.000 1.059 759 N HN 0.651 nan 8.380 nan 0.000 0.467 760 R N 2.288 122.775 120.500 -0.021 0.000 2.193 760 R HA -0.107 4.248 4.340 0.025 0.000 0.213 760 R C 1.464 177.725 176.300 -0.066 0.000 1.055 760 R CA 0.833 56.863 56.100 -0.117 0.000 0.995 760 R CB 0.056 30.147 30.300 -0.348 0.000 0.893 760 R HN 0.599 nan 8.270 nan 0.000 0.459 761 Q N 0.864 120.651 119.800 -0.022 0.000 2.250 761 Q HA -0.033 4.322 4.340 0.025 0.000 0.200 761 Q C 1.895 177.908 176.000 0.023 0.000 0.941 761 Q CA 1.712 57.510 55.803 -0.008 0.000 0.872 761 Q CB 0.211 28.953 28.738 0.006 0.000 0.965 761 Q HN 0.239 nan 8.270 nan 0.000 0.480 762 S N -1.443 114.304 115.700 0.077 0.000 2.406 762 S HA 0.212 4.696 4.470 0.025 0.000 0.224 762 S C 1.648 176.267 174.600 0.032 0.000 1.030 762 S CA 0.642 58.933 58.200 0.151 0.000 0.958 762 S CB -0.318 63.070 63.200 0.313 0.000 0.811 762 S HN 0.828 nan 8.310 nan 0.000 0.489 763 G N 0.293 109.104 108.800 0.019 0.000 2.157 763 G HA2 -0.208 3.767 3.960 0.025 0.000 0.248 763 G HA3 -0.208 3.767 3.960 0.025 0.000 0.248 763 G C -0.065 174.808 174.900 -0.045 0.000 0.979 763 G CA 0.234 45.312 45.100 -0.037 0.000 0.650 763 G HN 0.530 nan 8.290 nan 0.000 0.529 764 F N -1.089 119.048 119.950 0.311 0.000 2.541 764 F HA 0.678 5.220 4.527 0.025 0.000 0.331 764 F C 0.562 176.421 175.800 0.099 0.000 1.057 764 F CA -1.337 56.804 58.000 0.235 0.000 0.975 764 F CB 1.467 40.549 39.000 0.138 0.000 1.246 764 F HN 0.021 nan 8.300 nan 0.000 0.484 765 L N 1.911 123.239 121.223 0.174 0.000 2.433 765 L HA 0.180 4.535 4.340 0.025 0.000 0.284 765 L C 1.011 177.780 176.870 -0.170 0.000 1.120 765 L CA 0.328 54.927 54.840 -0.401 0.000 0.879 765 L CB 0.175 41.908 42.059 -0.545 0.000 1.232 765 L HN 0.702 nan 8.230 nan 0.000 0.454 766 S N 2.460 118.081 115.700 -0.131 0.000 2.425 766 S HA 0.121 4.606 4.470 0.025 0.000 0.225 766 S C 0.701 175.187 174.600 -0.191 0.000 1.024 766 S CA 0.183 58.334 58.200 -0.082 0.000 0.951 766 S CB -0.039 63.167 63.200 0.010 0.000 0.796 766 S HN 0.687 nan 8.310 nan 0.000 0.498 767 Q N -0.231 119.401 119.800 -0.280 0.000 2.482 767 Q HA 0.701 5.056 4.340 0.025 0.000 0.286 767 Q C -1.985 173.654 176.000 -0.602 0.000 1.007 767 Q CA -0.457 55.035 55.803 -0.519 0.000 0.801 767 Q CB 1.758 30.056 28.738 -0.733 0.000 1.455 767 Q HN 0.433 nan 8.270 nan 0.000 0.398 768 M N 1.393 120.519 119.600 -0.790 0.000 2.433 768 M HA 0.582 5.076 4.480 0.025 0.000 0.290 768 M C -1.455 174.459 176.300 -0.642 0.000 1.173 768 M CA -0.453 54.472 55.300 -0.626 0.000 0.905 768 M CB 2.304 34.549 32.600 -0.592 0.000 1.692 768 M HN 0.459 nan 8.290 nan 0.000 0.462 769 W N 3.298 124.376 121.300 -0.370 0.000 2.915 769 W HA 0.645 5.320 4.660 0.025 0.000 0.337 769 W C -1.375 174.961 176.519 -0.305 0.000 1.102 769 W CA -0.676 56.508 57.345 -0.267 0.000 1.224 769 W CB 1.741 31.082 29.460 -0.199 0.000 1.416 769 W HN 0.504 nan 8.180 nan 0.000 0.503 770 I N 2.913 123.481 120.570 -0.004 0.000 2.382 770 I HA 0.442 4.626 4.170 0.025 0.000 0.285 770 I C 0.861 176.972 176.117 -0.009 0.000 1.007 770 I CA 0.146 61.407 61.300 -0.065 0.000 1.142 770 I CB 1.052 38.985 38.000 -0.112 0.000 1.289 770 I HN 0.735 nan 8.210 nan 0.000 0.453 771 G N 5.955 114.743 108.800 -0.020 0.000 2.561 771 G HA2 -0.377 3.598 3.960 0.025 0.000 0.289 771 G HA3 -0.377 3.598 3.960 0.025 0.000 0.289 771 G C 0.296 175.211 174.900 0.025 0.000 1.169 771 G CA 0.808 45.899 45.100 -0.014 0.000 0.980 771 G HN 0.879 nan 8.290 nan 0.000 0.550 772 D N 0.334 120.759 120.400 0.041 0.000 2.369 772 D HA 0.352 5.007 4.640 0.025 0.000 0.211 772 D C 0.845 177.260 176.300 0.192 0.000 1.077 772 D CA 0.370 54.425 54.000 0.092 0.000 0.842 772 D CB 0.363 41.183 40.800 0.033 0.000 0.947 772 D HN 0.512 nan 8.370 nan 0.000 0.509 773 K N 1.383 121.858 120.400 0.126 0.000 2.276 773 K HA 0.176 4.511 4.320 0.025 0.000 0.285 773 K C -0.344 176.237 176.600 -0.032 0.000 1.062 773 K CA -0.571 55.747 56.287 0.051 0.000 0.918 773 K CB 0.647 33.140 32.500 -0.012 0.000 1.055 773 K HN -0.096 nan 8.250 nan 0.000 0.477 774 K N 2.695 123.003 120.400 -0.153 0.000 2.350 774 K HA 0.006 4.341 4.320 0.025 0.000 0.279 774 K C 0.735 177.140 176.600 -0.325 0.000 1.027 774 K CA -0.135 55.864 56.287 -0.481 0.000 0.969 774 K CB 0.886 33.126 32.500 -0.433 0.000 0.954 774 K HN 0.522 nan 8.250 nan 0.000 0.474 775 Q N 1.614 121.190 119.800 -0.374 0.000 2.391 775 Q HA 0.148 4.503 4.340 0.025 0.000 0.211 775 Q C 0.088 176.000 176.000 -0.147 0.000 0.908 775 Q CA 0.568 56.275 55.803 -0.159 0.000 0.920 775 Q CB 0.416 29.115 28.738 -0.065 0.000 1.056 775 Q HN 0.500 nan 8.270 nan 0.000 0.523 776 L N 0.729 121.794 121.223 -0.263 0.000 2.329 776 L HA 0.360 4.715 4.340 0.025 0.000 0.279 776 L C 1.114 177.848 176.870 -0.226 0.000 1.014 776 L CA -0.366 54.340 54.840 -0.224 0.000 0.814 776 L CB 1.488 43.406 42.059 -0.234 0.000 1.257 776 L HN -0.059 nan 8.230 nan 0.000 0.424 777 L N 0.965 122.053 121.223 -0.226 0.000 2.357 777 L HA 0.129 4.484 4.340 0.025 0.000 0.211 777 L C 0.829 177.580 176.870 -0.198 0.000 1.075 777 L CA 0.711 55.423 54.840 -0.214 0.000 0.830 777 L CB 0.508 42.413 42.059 -0.256 0.000 0.996 777 L HN 0.787 nan 8.230 nan 0.000 0.467 778 T N -2.188 112.221 114.554 -0.240 0.000 2.952 778 T HA 0.464 4.828 4.350 0.025 0.000 0.305 778 T C -2.868 171.754 174.700 -0.130 0.000 1.064 778 T CA -2.040 59.969 62.100 -0.153 0.000 1.008 778 T CB 2.272 71.087 68.868 -0.088 0.000 1.078 778 T HN -0.296 nan 8.240 nan 0.000 0.459 779 P HA 0.137 nan 4.420 nan 0.000 0.266 779 P C -0.269 176.983 177.300 -0.079 0.000 1.193 779 P CA -0.537 62.519 63.100 -0.074 0.000 0.770 779 P CB 0.276 31.952 31.700 -0.040 0.000 0.836 780 L N 4.439 125.646 121.223 -0.026 0.000 2.385 780 L HA 0.175 4.530 4.340 0.025 0.000 0.281 780 L C 0.323 177.134 176.870 -0.099 0.000 1.106 780 L CA 0.709 55.568 54.840 0.031 0.000 0.856 780 L CB -0.530 41.647 42.059 0.196 0.000 1.186 780 L HN 0.301 nan 8.230 nan 0.000 0.453 781 R N 2.684 123.046 120.500 -0.229 0.000 2.837 781 R HA 0.477 4.832 4.340 0.025 0.000 0.271 781 R C -0.944 175.213 176.300 -0.240 0.000 0.993 781 R CA -1.004 54.792 56.100 -0.508 0.000 0.931 781 R CB 1.046 30.849 30.300 -0.828 0.000 1.206 781 R HN 0.532 nan 8.270 nan 0.000 0.474 782 D N 1.172 121.503 120.400 -0.115 0.000 2.423 782 D HA 0.017 4.672 4.640 0.025 0.000 0.238 782 D C -0.510 175.373 176.300 -0.696 0.000 1.142 782 D CA 0.585 54.380 54.000 -0.342 0.000 0.884 782 D CB 0.628 41.181 40.800 -0.412 0.000 1.199 782 D HN 0.170 nan 8.370 nan 0.000 0.438 783 Q N 1.311 120.541 119.800 -0.951 0.000 2.304 783 Q HA 0.365 4.720 4.340 0.025 0.000 0.270 783 Q C -0.970 174.294 176.000 -1.226 0.000 1.035 783 Q CA -0.579 54.687 55.803 -0.895 0.000 0.781 783 Q CB 0.923 29.375 28.738 -0.477 0.000 1.261 783 Q HN 0.593 nan 8.270 nan 0.000 0.444 784 F N 0.202 119.764 119.950 -0.647 0.000 2.746 784 F HA 0.165 4.706 4.527 0.024 0.000 0.320 784 F C 0.790 176.142 175.800 -0.747 0.000 1.097 784 F CA -0.330 57.164 58.000 -0.843 0.000 1.195 784 F CB 1.543 39.699 39.000 -1.407 0.000 1.056 784 F HN 0.423 nan 8.300 nan 0.000 0.562 785 T N -0.466 113.766 114.554 -0.536 0.000 2.926 785 T HA 0.798 5.163 4.350 0.025 0.000 0.289 785 T C -0.536 173.903 174.700 -0.435 0.000 1.054 785 T CA -0.877 60.834 62.100 -0.648 0.000 1.015 785 T CB 2.684 71.061 68.868 -0.817 0.000 1.167 785 T HN 0.268 nan 8.240 nan 0.000 0.526 786 R N -0.249 120.042 120.500 -0.347 0.000 2.774 786 R HA 0.775 5.130 4.340 0.025 0.000 0.272 786 R C -1.047 175.305 176.300 0.088 0.000 1.000 786 R CA -1.275 54.757 56.100 -0.113 0.000 0.906 786 R CB 1.434 31.685 30.300 -0.082 0.000 1.227 786 R HN 0.811 nan 8.270 nan 0.000 0.468 787 A N 2.944 125.805 122.820 0.070 0.000 2.444 787 A HA 0.353 4.688 4.320 0.025 0.000 0.273 787 A C -2.072 175.583 177.584 0.118 0.000 1.136 787 A CA -1.604 50.482 52.037 0.083 0.000 0.799 787 A CB -0.409 18.578 19.000 -0.021 0.000 1.081 787 A HN 0.546 nan 8.150 nan 0.000 0.509 788 P HA 0.016 nan 4.420 nan 0.000 0.261 788 P C -0.366 177.044 177.300 0.182 0.000 1.165 788 P CA 0.670 63.934 63.100 0.273 0.000 0.759 788 P CB 0.166 32.037 31.700 0.285 0.000 0.772 789 L N 2.539 123.839 121.223 0.128 0.000 2.439 789 L HA 0.230 4.585 4.340 0.025 0.000 0.259 789 L C 1.775 178.655 176.870 0.016 0.000 1.129 789 L CA -0.600 54.247 54.840 0.012 0.000 0.803 789 L CB 0.084 42.074 42.059 -0.114 0.000 1.161 789 L HN 0.267 nan 8.230 nan 0.000 0.462 790 D N 0.452 120.806 120.400 -0.076 0.000 2.158 790 D HA -0.174 4.481 4.640 0.025 0.000 0.197 790 D C 1.588 177.817 176.300 -0.118 0.000 0.995 790 D CA 1.427 55.309 54.000 -0.197 0.000 0.846 790 D CB 0.036 40.642 40.800 -0.324 0.000 0.941 790 D HN 0.493 nan 8.370 nan 0.000 0.456 791 N N 0.912 119.555 118.700 -0.094 0.000 2.188 791 N HA -0.106 4.649 4.740 0.025 0.000 0.184 791 N C 1.228 176.744 175.510 0.010 0.000 1.018 791 N CA 0.753 53.774 53.050 -0.049 0.000 0.858 791 N CB -0.226 38.218 38.487 -0.073 0.000 0.989 791 N HN 0.250 nan 8.380 nan 0.000 0.426 792 D N 0.475 120.895 120.400 0.034 0.000 2.224 792 D HA 0.023 4.677 4.640 0.025 0.000 0.205 792 D C 1.997 178.331 176.300 0.056 0.000 0.965 792 D CA 0.371 54.413 54.000 0.071 0.000 0.852 792 D CB 0.154 41.071 40.800 0.194 0.000 0.947 792 D HN 0.323 nan 8.370 nan 0.000 0.494 793 I N 0.263 120.860 120.570 0.045 0.000 2.296 793 I HA 0.033 4.218 4.170 0.025 0.000 0.242 793 I C 1.955 178.090 176.117 0.031 0.000 1.087 793 I CA 0.810 62.125 61.300 0.026 0.000 1.393 793 I CB -0.447 37.543 38.000 -0.016 0.000 1.093 793 I HN 0.086 nan 8.210 nan 0.000 0.421 794 G N 1.190 110.027 108.800 0.061 0.000 2.591 794 G HA2 -0.368 3.607 3.960 0.025 0.000 0.298 794 G HA3 -0.368 3.607 3.960 0.025 0.000 0.298 794 G C 0.833 175.884 174.900 0.252 0.000 1.195 794 G CA 1.143 46.346 45.100 0.171 0.000 0.989 794 G HN 0.585 nan 8.290 nan 0.000 0.551 795 V N -1.659 118.334 119.914 0.131 0.000 3.608 795 V HA 0.546 4.681 4.120 0.025 0.000 0.269 795 V C 1.502 177.605 176.094 0.014 0.000 1.245 795 V CA 1.517 63.841 62.300 0.040 0.000 1.138 795 V CB -0.013 31.753 31.823 -0.095 0.000 0.841 795 V HN 1.332 nan 8.190 nan 0.000 0.451 796 S N 0.990 116.699 115.700 0.015 0.000 2.558 796 S HA 0.195 4.680 4.470 0.025 0.000 0.293 796 S C -0.066 174.537 174.600 0.005 0.000 1.292 796 S CA 0.351 58.550 58.200 -0.003 0.000 1.063 796 S CB -0.026 63.167 63.200 -0.012 0.000 0.831 796 S HN 0.835 nan 8.310 nan 0.000 0.499 797 E N 1.176 121.375 120.200 -0.002 0.000 2.413 797 E HA 0.541 4.906 4.350 0.025 0.000 0.277 797 E C 0.570 177.174 176.600 0.007 0.000 0.958 797 E CA -0.329 56.075 56.400 0.006 0.000 0.779 797 E CB 1.379 31.079 29.700 0.001 0.000 1.278 797 E HN 0.595 nan 8.360 nan 0.000 0.456 798 A N 0.852 123.682 122.820 0.017 0.000 1.884 798 A HA -0.270 4.065 4.320 0.025 0.000 0.219 798 A C 2.051 179.640 177.584 0.009 0.000 1.197 798 A CA 2.991 55.038 52.037 0.016 0.000 0.637 798 A CB -1.288 17.727 19.000 0.025 0.000 0.827 798 A HN 0.740 nan 8.150 nan 0.000 0.450 799 T N -3.634 110.924 114.554 0.007 0.000 2.904 799 T HA 0.001 4.366 4.350 0.025 0.000 0.267 799 T C 0.853 175.546 174.700 -0.011 0.000 1.059 799 T CA 0.970 63.070 62.100 -0.001 0.000 1.137 799 T CB -0.056 68.812 68.868 0.000 0.000 0.879 799 T HN 0.248 nan 8.240 nan 0.000 0.467 800 R N 1.236 121.726 120.500 -0.016 0.000 2.721 800 R HA 0.387 4.742 4.340 0.025 0.000 0.272 800 R C -1.186 175.098 176.300 -0.027 0.000 1.721 800 R CA -0.756 55.327 56.100 -0.027 0.000 1.325 800 R CB 0.651 30.927 30.300 -0.041 0.000 1.271 800 R HN 0.295 nan 8.270 nan 0.000 0.556 801 I N 1.643 122.200 120.570 -0.023 0.000 2.648 801 I HA -0.005 4.180 4.170 0.025 0.000 0.284 801 I C 0.776 176.872 176.117 -0.036 0.000 1.153 801 I CA -0.127 61.159 61.300 -0.023 0.000 1.426 801 I CB 0.567 38.556 38.000 -0.019 0.000 1.381 801 I HN 0.316 nan 8.210 nan 0.000 0.571 802 D N 8.802 129.178 120.400 -0.040 0.000 2.485 802 D HA 0.298 4.952 4.640 0.025 0.000 0.229 802 D C -1.779 174.475 176.300 -0.077 0.000 1.101 802 D CA -2.148 51.819 54.000 -0.056 0.000 0.906 802 D CB 1.321 42.090 40.800 -0.051 0.000 1.019 802 D HN 0.186 nan 8.370 nan 0.000 0.516 803 P HA -0.061 nan 4.420 nan 0.000 0.239 803 P C 0.730 177.938 177.300 -0.153 0.000 1.184 803 P CA 0.501 63.541 63.100 -0.100 0.000 0.760 803 P CB 0.371 32.023 31.700 -0.080 0.000 0.884 804 N N 0.127 118.731 118.700 -0.160 0.000 2.405 804 N HA 0.069 4.823 4.740 0.025 0.000 0.175 804 N C 0.466 175.792 175.510 -0.307 0.000 1.051 804 N CA 0.023 52.937 53.050 -0.227 0.000 0.899 804 N CB -0.438 37.944 38.487 -0.176 0.000 1.000 804 N HN -0.076 nan 8.380 nan 0.000 0.451 805 A N -0.238 122.448 122.820 -0.224 0.000 2.531 805 A HA 0.018 4.353 4.320 0.025 0.000 0.236 805 A C 0.719 178.092 177.584 -0.353 0.000 1.062 805 A CA -0.182 51.721 52.037 -0.223 0.000 0.760 805 A CB -0.218 18.722 19.000 -0.101 0.000 0.995 805 A HN 0.540 nan 8.150 nan 0.000 0.501 806 W N 1.741 122.779 121.300 -0.436 0.000 2.338 806 W HA -0.164 4.511 4.660 0.024 0.000 0.304 806 W C 2.222 178.189 176.519 -0.921 0.000 1.212 806 W CA 1.649 58.473 57.345 -0.869 0.000 1.264 806 W CB -0.428 28.310 29.460 -1.204 0.000 1.142 806 W HN 0.561 nan 8.180 nan 0.000 0.512 807 V N 0.919 120.706 119.914 -0.211 0.000 2.332 807 V HA -0.296 3.839 4.120 0.025 0.000 0.248 807 V C 2.213 178.383 176.094 0.127 0.000 1.055 807 V CA 2.187 64.565 62.300 0.130 0.000 1.038 807 V CB -0.365 31.578 31.823 0.202 0.000 0.651 807 V HN 0.106 nan 8.190 nan 0.000 0.450 808 E N -0.156 120.033 120.200 -0.018 0.000 2.072 808 E HA -0.184 4.181 4.350 0.025 0.000 0.191 808 E C 2.326 178.906 176.600 -0.033 0.000 0.985 808 E CA 1.130 57.521 56.400 -0.014 0.000 0.801 808 E CB -0.379 29.284 29.700 -0.061 0.000 0.750 808 E HN 0.622 nan 8.360 nan 0.000 0.452 809 R N 0.013 120.418 120.500 -0.158 0.000 2.083 809 R HA -0.159 4.196 4.340 0.025 0.000 0.237 809 R C 2.328 178.596 176.300 -0.053 0.000 1.137 809 R CA 1.584 57.569 56.100 -0.193 0.000 0.951 809 R CB -0.303 29.758 30.300 -0.400 0.000 0.851 809 R HN 0.260 nan 8.270 nan 0.000 0.434 810 W N 1.436 122.712 121.300 -0.041 0.000 2.355 810 W HA -0.100 4.575 4.660 0.025 0.000 0.309 810 W C 2.104 178.591 176.519 -0.054 0.000 1.206 810 W CA 0.682 57.926 57.345 -0.169 0.000 1.284 810 W CB -0.774 28.750 29.460 0.107 0.000 1.145 810 W HN 0.115 nan 8.180 nan 0.000 0.502 811 K N 0.005 120.640 120.400 0.392 0.000 2.009 811 K HA -0.140 4.195 4.320 0.025 0.000 0.210 811 K C 2.259 178.917 176.600 0.097 0.000 1.049 811 K CA 2.057 58.516 56.287 0.287 0.000 0.929 811 K CB -0.675 31.934 32.500 0.181 0.000 0.714 811 K HN -0.007 nan 8.250 nan 0.000 0.440 812 A N 0.897 123.745 122.820 0.048 0.000 2.019 812 A HA -0.104 4.230 4.320 0.025 0.000 0.219 812 A C 2.143 179.704 177.584 -0.038 0.000 1.164 812 A CA 1.851 53.889 52.037 0.002 0.000 0.644 812 A CB -0.529 18.466 19.000 -0.009 0.000 0.805 812 A HN 0.371 nan 8.150 nan 0.000 0.449 813 A N -2.136 120.636 122.820 -0.081 0.000 2.208 813 A HA 0.414 4.749 4.320 0.025 0.000 0.209 813 A C 1.831 179.310 177.584 -0.174 0.000 1.161 813 A CA 1.201 53.182 52.037 -0.092 0.000 0.782 813 A CB -0.742 18.143 19.000 -0.192 0.000 0.816 813 A HN 1.839 nan 8.150 nan 0.000 0.477 814 G N -1.492 107.118 108.800 -0.318 0.000 2.176 814 G HA2 -0.316 3.658 3.960 0.025 0.000 0.253 814 G HA3 -0.316 3.658 3.960 0.025 0.000 0.253 814 G C 0.683 175.562 174.900 -0.034 0.000 0.979 814 G CA 0.686 45.386 45.100 -0.666 0.000 0.641 814 G HN 0.726 nan 8.290 nan 0.000 0.530 815 H N -1.242 117.798 119.070 -0.049 0.000 2.390 815 H HA -0.127 4.444 4.556 0.025 0.000 0.298 815 H C 2.224 177.521 175.328 -0.052 0.000 1.106 815 H CA 1.684 57.723 56.048 -0.015 0.000 1.297 815 H CB 0.018 29.731 29.762 -0.082 0.000 1.375 815 H HN 0.604 nan 8.280 nan 0.000 0.509 816 Y N 0.420 120.829 120.300 0.182 0.000 2.516 816 Y HA -0.080 4.484 4.550 0.024 0.000 0.291 816 Y C 2.250 178.228 175.900 0.129 0.000 1.131 816 Y CA 0.610 58.781 58.100 0.119 0.000 1.281 816 Y CB 0.285 38.801 38.460 0.092 0.000 1.013 816 Y HN 0.186 nan 8.280 nan 0.000 0.554 817 Q N -0.253 119.707 119.800 0.267 0.000 2.384 817 Q HA 0.260 4.615 4.340 0.025 0.000 0.207 817 Q C 0.840 177.032 176.000 0.320 0.000 0.904 817 Q CA -0.055 55.907 55.803 0.265 0.000 0.933 817 Q CB 0.395 29.287 28.738 0.257 0.000 1.077 817 Q HN 0.303 nan 8.270 nan 0.000 0.522 818 A N 1.968 125.002 122.820 0.357 0.000 2.561 818 A HA 0.007 4.341 4.320 0.025 0.000 0.234 818 A C -0.396 177.495 177.584 0.511 0.000 1.055 818 A CA 0.306 52.624 52.037 0.469 0.000 0.756 818 A CB 0.080 19.420 19.000 0.567 0.000 0.986 818 A HN 0.228 nan 8.150 nan 0.000 0.505 819 E N 1.313 121.752 120.200 0.398 0.000 2.187 819 E HA 0.575 4.940 4.350 0.025 0.000 0.268 819 E C -0.209 176.384 176.600 -0.012 0.000 0.896 819 E CA -0.555 55.994 56.400 0.248 0.000 0.766 819 E CB 1.628 31.426 29.700 0.164 0.000 1.142 819 E HN 0.798 nan 8.360 nan 0.000 0.408 820 A N 2.578 125.298 122.820 -0.167 0.000 2.511 820 A HA 0.465 4.800 4.320 0.025 0.000 0.242 820 A C -0.009 177.407 177.584 -0.280 0.000 1.069 820 A CA 0.100 51.731 52.037 -0.676 0.000 0.763 820 A CB 0.153 19.009 19.000 -0.239 0.000 1.001 820 A HN 0.691 nan 8.150 nan 0.000 0.498 821 A N 2.401 125.030 122.820 -0.319 0.000 2.304 821 A HA 0.576 4.911 4.320 0.025 0.000 0.314 821 A C -0.561 176.945 177.584 -0.130 0.000 1.187 821 A CA -0.548 51.410 52.037 -0.132 0.000 0.810 821 A CB 0.634 19.577 19.000 -0.095 0.000 1.183 821 A HN 1.240 nan 8.150 nan 0.000 0.487 822 L N 3.566 124.712 121.223 -0.129 0.000 2.315 822 L HA 0.336 4.691 4.340 0.025 0.000 0.283 822 L C 0.471 177.202 176.870 -0.232 0.000 1.089 822 L CA 0.224 54.881 54.840 -0.306 0.000 0.833 822 L CB 0.246 42.130 42.059 -0.292 0.000 1.170 822 L HN 0.795 nan 8.230 nan 0.000 0.442 823 L N 3.321 124.375 121.223 -0.280 0.000 2.316 823 L HA 0.289 4.644 4.340 0.025 0.000 0.207 823 L C 0.609 177.395 176.870 -0.139 0.000 1.070 823 L CA 0.180 54.928 54.840 -0.153 0.000 0.820 823 L CB 0.002 42.003 42.059 -0.098 0.000 0.992 823 L HN 0.684 nan 8.230 nan 0.000 0.466 824 Q N -0.700 118.979 119.800 -0.202 0.000 2.545 824 Q HA 0.259 4.614 4.340 0.025 0.000 0.273 824 Q C -2.248 173.676 176.000 -0.126 0.000 0.975 824 Q CA -0.405 55.323 55.803 -0.125 0.000 0.876 824 Q CB 2.930 31.628 28.738 -0.066 0.000 1.472 824 Q HN 0.066 nan 8.270 nan 0.000 0.389 825 C N 2.597 121.874 119.300 -0.037 0.000 2.705 825 C HA 0.824 5.299 4.460 0.025 0.000 0.369 825 C C -0.919 174.162 174.990 0.153 0.000 1.069 825 C CA 0.482 59.529 59.018 0.049 0.000 1.260 825 C CB 0.876 28.644 27.740 0.046 0.000 1.764 825 C HN 0.835 nan 8.230 nan 0.000 0.469 826 T N 2.408 117.007 114.554 0.075 0.000 2.868 826 T HA 0.870 5.235 4.350 0.025 0.000 0.306 826 T C -0.795 173.672 174.700 -0.389 0.000 1.224 826 T CA -0.216 61.862 62.100 -0.036 0.000 1.012 826 T CB 1.808 70.647 68.868 -0.049 0.000 1.221 826 T HN 1.686 nan 8.240 nan 0.000 0.499 827 A N 1.788 124.229 122.820 -0.631 0.000 2.343 827 A HA 0.791 5.126 4.320 0.025 0.000 0.316 827 A C -1.132 176.213 177.584 -0.397 0.000 1.104 827 A CA -0.623 50.944 52.037 -0.783 0.000 0.768 827 A CB 1.136 19.236 19.000 -1.500 0.000 1.213 827 A HN 0.851 nan 8.150 nan 0.000 0.456 828 D N 0.581 120.792 120.400 -0.316 0.000 2.756 828 D HA 0.570 5.224 4.640 0.025 0.000 0.226 828 D C -1.088 175.102 176.300 -0.184 0.000 1.186 828 D CA 0.068 53.949 54.000 -0.199 0.000 0.845 828 D CB 2.431 43.143 40.800 -0.147 0.000 1.610 828 D HN 0.380 nan 8.370 nan 0.000 0.465 829 T N 1.554 116.025 114.554 -0.139 0.000 2.807 829 T HA 0.576 4.941 4.350 0.025 0.000 0.279 829 T C 0.270 174.919 174.700 -0.086 0.000 0.993 829 T CA -0.531 61.496 62.100 -0.122 0.000 0.970 829 T CB 0.912 69.711 68.868 -0.116 0.000 0.950 829 T HN 0.114 nan 8.240 nan 0.000 0.441 830 L N 1.248 122.425 121.223 -0.077 0.000 2.347 830 L HA 0.709 5.063 4.340 0.025 0.000 0.268 830 L C 1.901 178.746 176.870 -0.042 0.000 1.019 830 L CA -1.378 53.429 54.840 -0.054 0.000 0.806 830 L CB 0.310 42.339 42.059 -0.050 0.000 1.339 830 L HN 0.679 nan 8.230 nan 0.000 0.463 831 A N 0.102 122.905 122.820 -0.028 0.000 2.076 831 A HA -0.152 4.183 4.320 0.025 0.000 0.220 831 A C 0.966 178.541 177.584 -0.014 0.000 1.160 831 A CA 1.909 53.936 52.037 -0.017 0.000 0.653 831 A CB -0.654 18.340 19.000 -0.009 0.000 0.801 831 A HN 0.922 nan 8.150 nan 0.000 0.455 832 D N -3.044 117.343 120.400 -0.021 0.000 2.538 832 D HA 0.543 5.197 4.640 0.025 0.000 0.241 832 D C 0.139 176.419 176.300 -0.033 0.000 1.297 832 D CA 0.696 54.685 54.000 -0.018 0.000 0.804 832 D CB -0.329 40.464 40.800 -0.012 0.000 1.122 832 D HN 0.491 nan 8.370 nan 0.000 0.519 833 A N -0.539 122.250 122.820 -0.052 0.000 2.540 833 A HA 0.624 4.959 4.320 0.025 0.000 0.291 833 A C -1.846 175.675 177.584 -0.105 0.000 1.083 833 A CA -0.699 51.291 52.037 -0.078 0.000 0.650 833 A CB 1.174 20.129 19.000 -0.076 0.000 1.292 833 A HN -0.011 nan 8.150 nan 0.000 0.435 834 V N 0.477 120.305 119.914 -0.143 0.000 2.513 834 V HA 0.644 4.779 4.120 0.025 0.000 0.299 834 V C -0.972 175.005 176.094 -0.195 0.000 1.035 834 V CA -0.386 61.805 62.300 -0.181 0.000 0.889 834 V CB 1.396 33.101 31.823 -0.195 0.000 0.988 834 V HN 0.873 nan 8.190 nan 0.000 0.440 835 L N 6.616 127.713 121.223 -0.210 0.000 2.345 835 L HA 0.605 4.960 4.340 0.025 0.000 0.274 835 L C -0.814 175.899 176.870 -0.261 0.000 0.999 835 L CA -0.008 54.719 54.840 -0.189 0.000 0.849 835 L CB 0.994 42.974 42.059 -0.131 0.000 1.220 835 L HN 0.396 nan 8.230 nan 0.000 0.422 836 I N 3.850 124.249 120.570 -0.284 0.000 2.331 836 I HA 0.394 4.578 4.170 0.025 0.000 0.292 836 I C 0.186 176.266 176.117 -0.061 0.000 0.998 836 I CA -0.142 60.938 61.300 -0.367 0.000 1.267 836 I CB 1.238 38.718 38.000 -0.868 0.000 1.386 836 I HN 0.537 nan 8.210 nan 0.000 0.476 837 T N 5.332 119.843 114.554 -0.072 0.000 2.786 837 T HA 0.613 4.978 4.350 0.025 0.000 0.283 837 T C 0.239 174.967 174.700 0.047 0.000 0.992 837 T CA -0.552 61.556 62.100 0.014 0.000 0.954 837 T CB 1.553 70.403 68.868 -0.030 0.000 0.934 837 T HN 0.770 nan 8.240 nan 0.000 0.440 838 T N -0.351 114.274 114.554 0.119 0.000 2.901 838 T HA 0.896 5.260 4.350 0.025 0.000 0.293 838 T C -1.098 173.638 174.700 0.059 0.000 1.084 838 T CA -1.160 60.990 62.100 0.083 0.000 1.008 838 T CB 2.095 71.106 68.868 0.237 0.000 1.170 838 T HN 0.778 nan 8.240 nan 0.000 0.509 839 A N 1.381 124.140 122.820 -0.101 0.000 2.491 839 A HA 0.706 5.041 4.320 0.025 0.000 0.293 839 A C -1.527 175.915 177.584 -0.237 0.000 1.047 839 A CA -0.778 51.245 52.037 -0.023 0.000 0.735 839 A CB 0.718 19.717 19.000 -0.002 0.000 1.281 839 A HN 0.992 nan 8.150 nan 0.000 0.398 840 H N 0.206 119.293 119.070 0.029 0.000 2.821 840 H HA 0.811 5.382 4.556 0.025 0.000 0.373 840 H C 0.038 175.331 175.328 -0.058 0.000 1.165 840 H CA 0.264 56.237 56.048 -0.124 0.000 1.154 840 H CB 2.138 31.705 29.762 -0.326 0.000 1.765 840 H HN 1.021 nan 8.280 nan 0.000 0.549 841 A N 1.584 124.380 122.820 -0.041 0.000 2.342 841 A HA 0.473 4.807 4.320 0.025 0.000 0.323 841 A C -1.324 176.215 177.584 -0.075 0.000 1.125 841 A CA -0.688 51.389 52.037 0.066 0.000 0.785 841 A CB 1.079 20.111 19.000 0.052 0.000 1.221 841 A HN 0.571 nan 8.150 nan 0.000 0.463 842 W N 1.937 123.359 121.300 0.204 0.000 2.417 842 W HA 0.424 5.099 4.660 0.025 0.000 0.315 842 W C -0.520 176.025 176.519 0.044 0.000 1.045 842 W CA -0.158 57.302 57.345 0.192 0.000 1.221 842 W CB 1.740 31.389 29.460 0.315 0.000 1.309 842 W HN 0.761 nan 8.180 nan 0.000 0.453 843 Q N 2.214 122.166 119.800 0.254 0.000 2.413 843 Q HA 0.425 4.780 4.340 0.025 0.000 0.276 843 Q C -1.001 175.134 176.000 0.226 0.000 1.099 843 Q CA -0.877 55.026 55.803 0.165 0.000 0.814 843 Q CB 3.646 32.435 28.738 0.086 0.000 1.379 843 Q HN 0.414 nan 8.270 nan 0.000 0.436 844 H N 1.595 120.710 119.070 0.075 0.000 3.018 844 H HA 0.090 4.661 4.556 0.025 0.000 0.334 844 H C -0.891 174.473 175.328 0.060 0.000 0.983 844 H CA -0.211 55.888 56.048 0.084 0.000 1.363 844 H CB 1.198 31.014 29.762 0.090 0.000 1.668 844 H HN 0.833 nan 8.280 nan 0.000 0.513 845 Q N 3.156 122.642 119.800 -0.524 0.000 2.406 845 Q HA -0.280 4.075 4.340 0.025 0.000 0.339 845 Q C 1.030 176.965 176.000 -0.108 0.000 1.337 845 Q CA 1.257 56.871 55.803 -0.315 0.000 0.985 845 Q CB -1.176 27.346 28.738 -0.360 0.000 1.216 845 Q HN 1.192 nan 8.270 nan 0.000 0.415 846 G N -0.737 108.030 108.800 -0.056 0.000 2.284 846 G HA2 -0.362 3.613 3.960 0.025 0.000 0.230 846 G HA3 -0.362 3.613 3.960 0.025 0.000 0.230 846 G C 0.079 174.987 174.900 0.013 0.000 1.021 846 G CA 0.254 45.346 45.100 -0.014 0.000 0.619 846 G HN 0.401 nan 8.290 nan 0.000 0.510 847 K N 1.632 122.051 120.400 0.031 0.000 2.172 847 K HA 0.650 4.985 4.320 0.025 0.000 0.276 847 K C -0.190 176.435 176.600 0.042 0.000 1.013 847 K CA 0.047 56.360 56.287 0.043 0.000 0.913 847 K CB 1.015 33.551 32.500 0.061 0.000 1.055 847 K HN 0.002 nan 8.250 nan 0.000 0.461 848 T N 5.991 120.560 114.554 0.025 0.000 2.727 848 T HA 0.234 4.599 4.350 0.025 0.000 0.298 848 T C 1.038 175.713 174.700 -0.042 0.000 0.942 848 T CA -0.423 61.691 62.100 0.024 0.000 0.997 848 T CB 0.267 69.162 68.868 0.045 0.000 0.917 848 T HN 0.538 nan 8.240 nan 0.000 0.487 849 L N 2.744 123.876 121.223 -0.152 0.000 2.084 849 L HA 0.319 4.674 4.340 0.025 0.000 0.202 849 L C -0.027 176.473 176.870 -0.616 0.000 1.074 849 L CA 1.034 55.544 54.840 -0.549 0.000 0.757 849 L CB 0.003 41.383 42.059 -1.132 0.000 0.918 849 L HN 0.524 nan 8.230 nan 0.000 0.444 850 F N -1.281 118.655 119.950 -0.022 0.000 2.619 850 F HA 0.537 5.079 4.527 0.024 0.000 0.308 850 F C -0.587 175.337 175.800 0.206 0.000 1.097 850 F CA -0.812 57.116 58.000 -0.120 0.000 0.953 850 F CB 1.965 40.508 39.000 -0.763 0.000 1.287 850 F HN -0.314 nan 8.300 nan 0.000 0.446 851 I N 1.589 122.387 120.570 0.380 0.000 2.436 851 I HA 0.337 4.522 4.170 0.025 0.000 0.289 851 I C -0.632 175.750 176.117 0.442 0.000 1.010 851 I CA -0.547 60.995 61.300 0.404 0.000 1.098 851 I CB 2.129 40.277 38.000 0.246 0.000 1.266 851 I HN 0.530 nan 8.210 nan 0.000 0.434 852 S N 6.829 122.891 115.700 0.604 0.000 2.498 852 S HA 0.513 4.998 4.470 0.025 0.000 0.324 852 S C -0.434 174.400 174.600 0.390 0.000 1.071 852 S CA -0.680 57.854 58.200 0.555 0.000 1.113 852 S CB 0.254 63.920 63.200 0.777 0.000 0.976 852 S HN 0.507 nan 8.310 nan 0.000 0.462 853 R N 3.689 124.346 120.500 0.260 0.000 2.294 853 R HA 0.556 4.911 4.340 0.025 0.000 0.319 853 R C -0.507 175.862 176.300 0.115 0.000 0.984 853 R CA -0.590 55.614 56.100 0.173 0.000 0.861 853 R CB 1.399 31.776 30.300 0.129 0.000 1.104 853 R HN 0.513 nan 8.270 nan 0.000 0.451 854 K N 0.894 121.355 120.400 0.101 0.000 2.482 854 K HA 0.408 4.743 4.320 0.025 0.000 0.257 854 K C -0.893 175.694 176.600 -0.022 0.000 0.969 854 K CA -0.860 55.425 56.287 -0.005 0.000 0.842 854 K CB 2.661 35.172 32.500 0.019 0.000 1.359 854 K HN 0.646 nan 8.250 nan 0.000 0.441 855 T N -1.235 113.231 114.554 -0.147 0.000 2.893 855 T HA 0.592 4.956 4.350 0.025 0.000 0.293 855 T C -1.307 173.239 174.700 -0.257 0.000 1.027 855 T CA -0.682 61.362 62.100 -0.094 0.000 0.988 855 T CB 0.573 69.418 68.868 -0.039 0.000 1.043 855 T HN 0.389 nan 8.240 nan 0.000 0.461 856 Y N 1.042 121.316 120.300 -0.043 0.000 2.338 856 Y HA 0.624 5.189 4.550 0.025 0.000 0.333 856 Y C 0.382 176.218 175.900 -0.106 0.000 0.968 856 Y CA -1.095 56.994 58.100 -0.018 0.000 1.123 856 Y CB 1.943 40.426 38.460 0.039 0.000 1.165 856 Y HN 0.633 nan 8.280 nan 0.000 0.452 857 R N 4.649 125.180 120.500 0.051 0.000 2.409 857 R HA 0.547 4.902 4.340 0.025 0.000 0.313 857 R C -1.683 174.564 176.300 -0.087 0.000 0.953 857 R CA -0.455 55.623 56.100 -0.037 0.000 0.849 857 R CB 0.791 31.074 30.300 -0.028 0.000 1.171 857 R HN 0.660 nan 8.270 nan 0.000 0.458 858 I N 5.121 125.579 120.570 -0.186 0.000 2.354 858 I HA 0.191 4.376 4.170 0.025 0.000 0.292 858 I C -0.014 175.977 176.117 -0.210 0.000 0.989 858 I CA -0.466 60.644 61.300 -0.317 0.000 1.188 858 I CB 1.478 39.080 38.000 -0.664 0.000 1.342 858 I HN 0.715 nan 8.210 nan 0.000 0.457 859 D N 4.085 124.400 120.400 -0.141 0.000 2.621 859 D HA 0.282 4.937 4.640 0.025 0.000 0.255 859 D C 1.134 177.410 176.300 -0.040 0.000 1.122 859 D CA -0.621 53.334 54.000 -0.075 0.000 1.096 859 D CB 0.787 41.562 40.800 -0.040 0.000 1.282 859 D HN 0.490 nan 8.370 nan 0.000 0.619 860 G N -0.846 107.944 108.800 -0.016 0.000 2.479 860 G HA2 -0.242 3.733 3.960 0.025 0.000 0.220 860 G HA3 -0.242 3.733 3.960 0.025 0.000 0.220 860 G C 1.308 176.205 174.900 -0.004 0.000 1.115 860 G CA 1.427 46.528 45.100 0.002 0.000 0.757 860 G HN 0.573 nan 8.290 nan 0.000 0.560 861 S N -0.679 115.017 115.700 -0.007 0.000 2.428 861 S HA 0.295 4.779 4.470 0.025 0.000 0.230 861 S C 1.998 176.630 174.600 0.053 0.000 1.014 861 S CA 1.157 59.356 58.200 -0.001 0.000 0.957 861 S CB -0.198 63.005 63.200 0.006 0.000 0.784 861 S HN 1.552 nan 8.310 nan 0.000 0.499 862 G N 0.345 109.196 108.800 0.085 0.000 2.176 862 G HA2 -0.203 3.772 3.960 0.025 0.000 0.232 862 G HA3 -0.203 3.772 3.960 0.025 0.000 0.232 862 G C -0.223 174.812 174.900 0.224 0.000 0.986 862 G CA 0.003 45.230 45.100 0.211 0.000 0.643 862 G HN 0.611 nan 8.290 nan 0.000 0.522 863 Q N -0.314 119.550 119.800 0.107 0.000 2.235 863 Q HA 0.656 5.011 4.340 0.025 0.000 0.250 863 Q C 0.115 176.144 176.000 0.049 0.000 0.909 863 Q CA -0.361 55.516 55.803 0.124 0.000 0.910 863 Q CB 1.690 30.487 28.738 0.098 0.000 1.223 863 Q HN 0.405 nan 8.270 nan 0.000 0.432 864 M N 2.087 121.759 119.600 0.119 0.000 2.047 864 M HA 0.466 4.960 4.480 0.025 0.000 0.342 864 M C -1.308 175.096 176.300 0.174 0.000 1.058 864 M CA -0.462 54.882 55.300 0.074 0.000 0.991 864 M CB 0.829 33.496 32.600 0.112 0.000 1.474 864 M HN 0.707 nan 8.290 nan 0.000 0.419 865 A N 7.201 130.082 122.820 0.102 0.000 2.279 865 A HA 0.606 4.941 4.320 0.025 0.000 0.306 865 A C -0.599 177.015 177.584 0.051 0.000 1.300 865 A CA -0.600 51.494 52.037 0.095 0.000 0.925 865 A CB -0.057 18.978 19.000 0.058 0.000 1.152 865 A HN 0.920 nan 8.150 nan 0.000 0.544 866 I N 2.380 122.971 120.570 0.036 0.000 2.353 866 I HA 0.321 4.506 4.170 0.025 0.000 0.293 866 I C -0.023 175.975 176.117 -0.199 0.000 0.992 866 I CA -0.119 61.089 61.300 -0.154 0.000 1.268 866 I CB 1.845 39.791 38.000 -0.090 0.000 1.387 866 I HN 0.473 nan 8.210 nan 0.000 0.478 867 T N 5.765 120.156 114.554 -0.272 0.000 2.786 867 T HA 0.521 4.886 4.350 0.025 0.000 0.283 867 T C -0.340 174.160 174.700 -0.333 0.000 0.992 867 T CA -0.465 61.486 62.100 -0.248 0.000 0.954 867 T CB 1.751 70.566 68.868 -0.089 0.000 0.934 867 T HN 0.216 nan 8.240 nan 0.000 0.440 868 V N 3.781 123.374 119.914 -0.534 0.000 2.540 868 V HA 0.508 4.643 4.120 0.025 0.000 0.302 868 V C -0.779 175.146 176.094 -0.282 0.000 1.035 868 V CA -0.904 61.111 62.300 -0.474 0.000 0.873 868 V CB 2.029 33.355 31.823 -0.829 0.000 0.992 868 V HN 0.864 nan 8.190 nan 0.000 0.428 869 D N 3.616 124.017 120.400 0.003 0.000 2.542 869 D HA 0.460 5.115 4.640 0.025 0.000 0.252 869 D C -0.937 175.489 176.300 0.211 0.000 1.222 869 D CA -0.151 53.950 54.000 0.170 0.000 0.895 869 D CB 2.767 43.692 40.800 0.209 0.000 1.207 869 D HN 0.239 nan 8.370 nan 0.000 0.558 870 V N 1.997 122.075 119.914 0.273 0.000 2.630 870 V HA 0.339 4.474 4.120 0.025 0.000 0.305 870 V C 0.204 176.441 176.094 0.238 0.000 1.046 870 V CA -0.597 61.872 62.300 0.282 0.000 0.934 870 V CB 2.392 34.409 31.823 0.324 0.000 1.003 870 V HN 0.385 nan 8.190 nan 0.000 0.451 871 E N 1.991 122.314 120.200 0.206 0.000 2.222 871 E HA 0.607 4.972 4.350 0.025 0.000 0.267 871 E C -1.664 175.041 176.600 0.176 0.000 0.884 871 E CA -0.646 55.857 56.400 0.172 0.000 0.764 871 E CB 2.689 32.476 29.700 0.146 0.000 1.169 871 E HN 0.400 nan 8.360 nan 0.000 0.413 872 V N 2.136 122.158 119.914 0.180 0.000 2.378 872 V HA 0.330 4.465 4.120 0.025 0.000 0.288 872 V C 0.091 176.276 176.094 0.152 0.000 1.016 872 V CA -0.891 61.532 62.300 0.206 0.000 0.840 872 V CB 1.271 33.240 31.823 0.244 0.000 0.994 872 V HN 0.841 nan 8.190 nan 0.000 0.431 873 A N 3.797 126.673 122.820 0.094 0.000 2.573 873 A HA 0.183 4.518 4.320 0.025 0.000 0.250 873 A C 1.730 179.387 177.584 0.122 0.000 1.049 873 A CA 0.731 52.813 52.037 0.076 0.000 0.767 873 A CB 0.152 19.168 19.000 0.027 0.000 0.965 873 A HN 1.382 nan 8.150 nan 0.000 0.514 874 S N 1.658 117.427 115.700 0.115 0.000 2.419 874 S HA -0.187 4.298 4.470 0.025 0.000 0.235 874 S C 1.010 175.698 174.600 0.146 0.000 1.019 874 S CA 1.436 59.724 58.200 0.146 0.000 0.982 874 S CB -0.311 62.953 63.200 0.106 0.000 0.789 874 S HN 0.841 nan 8.310 nan 0.000 0.490 875 D N 0.257 120.716 120.400 0.099 0.000 2.339 875 D HA 0.120 4.774 4.640 0.025 0.000 0.217 875 D C 0.601 176.943 176.300 0.070 0.000 1.050 875 D CA 0.094 54.136 54.000 0.071 0.000 0.856 875 D CB -0.427 40.399 40.800 0.044 0.000 0.922 875 D HN 0.331 nan 8.370 nan 0.000 0.518 876 T N 1.178 115.802 114.554 0.116 0.000 2.934 876 T HA 0.394 4.758 4.350 0.025 0.000 0.283 876 T C -2.613 172.194 174.700 0.178 0.000 1.005 876 T CA -1.934 60.255 62.100 0.148 0.000 1.041 876 T CB 1.296 70.280 68.868 0.194 0.000 1.042 876 T HN -0.143 nan 8.240 nan 0.000 0.505 877 P HA 0.124 nan 4.420 nan 0.000 0.268 877 P C -0.612 177.002 177.300 0.524 0.000 1.204 877 P CA 0.022 63.220 63.100 0.163 0.000 0.768 877 P CB -0.137 31.657 31.700 0.156 0.000 0.842 878 H N 3.856 123.284 119.070 0.596 0.000 3.140 878 H HA 0.021 4.592 4.556 0.024 0.000 0.316 878 H C -1.573 174.099 175.328 0.574 0.000 0.986 878 H CA -1.164 55.177 56.048 0.488 0.000 1.397 878 H CB -0.501 29.487 29.762 0.377 0.000 1.377 878 H HN 0.382 nan 8.280 nan 0.000 0.585 879 P HA 0.013 nan 4.420 nan 0.000 0.274 879 P C 0.119 177.306 177.300 -0.188 0.000 1.237 879 P CA -0.310 62.825 63.100 0.060 0.000 0.793 879 P CB 1.001 32.576 31.700 -0.207 0.000 0.977 880 A N 2.818 125.262 122.820 -0.626 0.000 2.015 880 A HA -0.079 4.255 4.320 0.025 0.000 0.219 880 A C 1.005 178.199 177.584 -0.650 0.000 1.163 880 A CA 1.280 52.917 52.037 -0.666 0.000 0.646 880 A CB -0.575 17.772 19.000 -1.087 0.000 0.806 880 A HN 0.756 nan 8.150 nan 0.000 0.448 881 R N -3.048 117.123 120.500 -0.549 0.000 2.741 881 R HA 0.681 5.035 4.340 0.025 0.000 0.276 881 R C -1.741 174.342 176.300 -0.362 0.000 1.028 881 R CA -0.840 54.975 56.100 -0.474 0.000 0.865 881 R CB 0.585 30.595 30.300 -0.483 0.000 1.268 881 R HN -0.005 nan 8.270 nan 0.000 0.475 882 I N 1.079 121.475 120.570 -0.290 0.000 2.542 882 I HA 0.602 4.787 4.170 0.025 0.000 0.278 882 I C -0.434 175.489 176.117 -0.323 0.000 1.069 882 I CA -0.382 60.779 61.300 -0.231 0.000 1.100 882 I CB 1.742 39.643 38.000 -0.165 0.000 1.204 882 I HN 0.951 nan 8.210 nan 0.000 0.470 883 G N 5.586 114.148 108.800 -0.397 0.000 2.846 883 G HA2 0.811 4.786 3.960 0.025 0.000 0.299 883 G HA3 0.811 4.786 3.960 0.025 0.000 0.299 883 G C -1.515 173.242 174.900 -0.238 0.000 1.242 883 G CA -0.565 44.324 45.100 -0.352 0.000 0.800 883 G HN 0.245 nan 8.290 nan 0.000 0.538 884 L N 0.671 121.796 121.223 -0.164 0.000 2.309 884 L HA 0.644 4.999 4.340 0.025 0.000 0.261 884 L C -0.717 176.062 176.870 -0.151 0.000 1.021 884 L CA -1.138 53.630 54.840 -0.120 0.000 0.823 884 L CB 2.471 44.540 42.059 0.016 0.000 1.366 884 L HN 0.774 nan 8.230 nan 0.000 0.423 885 N N 0.449 119.082 118.700 -0.112 0.000 2.610 885 N HA 0.738 5.493 4.740 0.025 0.000 0.264 885 N C -1.232 174.295 175.510 0.027 0.000 1.348 885 N CA -0.599 52.420 53.050 -0.051 0.000 0.819 885 N CB 2.279 40.751 38.487 -0.025 0.000 1.521 885 N HN 0.887 nan 8.380 nan 0.000 0.497 886 C N -1.254 118.091 119.300 0.075 0.000 3.303 886 C HA 0.575 5.050 4.460 0.025 0.000 0.340 886 C C -1.395 173.463 174.990 -0.220 0.000 1.274 886 C CA -0.831 58.183 59.018 -0.006 0.000 1.234 886 C CB 0.911 28.654 27.740 0.005 0.000 1.532 886 C HN 0.871 nan 8.230 nan 0.000 0.483 887 Q N 1.635 121.070 119.800 -0.607 0.000 2.394 887 Q HA 0.650 5.005 4.340 0.025 0.000 0.259 887 Q C -0.949 174.737 176.000 -0.522 0.000 1.021 887 Q CA -0.437 54.719 55.803 -1.079 0.000 0.805 887 Q CB 0.781 28.425 28.738 -1.822 0.000 1.226 887 Q HN 0.753 nan 8.270 nan 0.000 0.476 888 L N 2.422 123.452 121.223 -0.322 0.000 2.426 888 L HA 0.236 4.591 4.340 0.025 0.000 0.271 888 L C 1.383 178.176 176.870 -0.129 0.000 1.169 888 L CA -0.147 54.627 54.840 -0.111 0.000 0.836 888 L CB 0.608 42.722 42.059 0.092 0.000 1.112 888 L HN 0.759 nan 8.230 nan 0.000 0.465 889 A N 2.160 124.929 122.820 -0.084 0.000 1.972 889 A HA -0.150 4.185 4.320 0.025 0.000 0.219 889 A C 1.117 178.674 177.584 -0.045 0.000 1.169 889 A CA 1.058 53.041 52.037 -0.089 0.000 0.635 889 A CB -0.360 18.585 19.000 -0.092 0.000 0.810 889 A HN 0.831 nan 8.150 nan 0.000 0.446 890 Q N -0.568 119.240 119.800 0.013 0.000 2.227 890 Q HA 0.539 4.894 4.340 0.025 0.000 0.245 890 Q C -1.354 174.682 176.000 0.060 0.000 0.926 890 Q CA -0.470 55.342 55.803 0.015 0.000 0.895 890 Q CB 1.536 30.289 28.738 0.024 0.000 1.230 890 Q HN 0.089 nan 8.270 nan 0.000 0.450 891 V N 2.388 122.305 119.914 0.006 0.000 2.444 891 V HA 0.835 4.969 4.120 0.025 0.000 0.294 891 V C -0.637 175.422 176.094 -0.059 0.000 1.022 891 V CA -0.324 62.008 62.300 0.053 0.000 0.850 891 V CB 0.956 32.796 31.823 0.028 0.000 0.992 891 V HN 0.915 nan 8.190 nan 0.000 0.426 892 A N 3.136 125.886 122.820 -0.117 0.000 2.430 892 A HA 0.743 5.077 4.320 0.025 0.000 0.300 892 A C 0.564 178.150 177.584 0.004 0.000 1.124 892 A CA -0.503 51.401 52.037 -0.222 0.000 0.766 892 A CB 1.397 20.030 19.000 -0.612 0.000 1.328 892 A HN 0.792 nan 8.150 nan 0.000 0.424 893 E N -0.076 120.121 120.200 -0.005 0.000 2.112 893 E HA -0.032 4.332 4.350 0.025 0.000 0.190 893 E C 0.050 176.718 176.600 0.113 0.000 0.979 893 E CA 0.680 57.114 56.400 0.056 0.000 0.814 893 E CB 0.117 29.833 29.700 0.028 0.000 0.762 893 E HN 0.375 nan 8.360 nan 0.000 0.460 894 R N 0.476 121.051 120.500 0.125 0.000 2.778 894 R HA 0.476 4.831 4.340 0.025 0.000 0.277 894 R C -0.770 175.709 176.300 0.298 0.000 0.977 894 R CA -0.896 55.311 56.100 0.179 0.000 0.950 894 R CB 1.793 32.166 30.300 0.123 0.000 1.165 894 R HN -0.166 nan 8.270 nan 0.000 0.474 895 V N 2.671 122.778 119.914 0.322 0.000 2.407 895 V HA 0.357 4.492 4.120 0.025 0.000 0.291 895 V C -0.235 176.140 176.094 0.468 0.000 1.018 895 V CA -0.896 61.636 62.300 0.388 0.000 0.842 895 V CB 1.562 33.567 31.823 0.303 0.000 0.996 895 V HN 0.618 nan 8.190 nan 0.000 0.426 896 N N 4.799 123.740 118.700 0.401 0.000 2.314 896 N HA 0.551 5.306 4.740 0.025 0.000 0.294 896 N C -1.368 174.364 175.510 0.370 0.000 1.029 896 N CA -0.411 52.827 53.050 0.312 0.000 0.845 896 N CB 2.795 41.368 38.487 0.144 0.000 1.321 896 N HN 0.779 nan 8.380 nan 0.000 0.481 897 W N 3.325 124.644 121.300 0.032 0.000 3.137 897 W HA 0.585 5.260 4.660 0.024 0.000 0.324 897 W C -2.167 174.293 176.519 -0.097 0.000 1.253 897 W CA -1.078 56.253 57.345 -0.024 0.000 1.183 897 W CB 0.615 30.068 29.460 -0.012 0.000 1.424 897 W HN 0.226 nan 8.180 nan 0.000 0.566 898 L N 4.257 125.418 121.223 -0.103 0.000 2.301 898 L HA 0.918 5.272 4.340 0.025 0.000 0.278 898 L C 0.006 176.658 176.870 -0.364 0.000 1.022 898 L CA 0.376 54.976 54.840 -0.400 0.000 0.854 898 L CB 0.652 42.555 42.059 -0.259 0.000 1.226 898 L HN 1.053 nan 8.230 nan 0.000 0.429 899 G N 3.727 112.157 108.800 -0.616 0.000 2.356 899 G HA2 0.202 4.177 3.960 0.025 0.000 0.281 899 G HA3 0.202 4.177 3.960 0.025 0.000 0.281 899 G C -1.640 173.274 174.900 0.023 0.000 1.246 899 G CA -1.014 43.944 45.100 -0.235 0.000 0.889 899 G HN 0.427 nan 8.290 nan 0.000 0.486 900 L N 1.121 122.512 121.223 0.279 0.000 2.380 900 L HA 0.626 4.981 4.340 0.025 0.000 0.273 900 L C 1.066 178.070 176.870 0.224 0.000 1.138 900 L CA 0.702 55.684 54.840 0.237 0.000 0.832 900 L CB 0.693 42.831 42.059 0.131 0.000 1.124 900 L HN 1.192 nan 8.230 nan 0.000 0.454 901 G N 2.748 111.505 108.800 -0.073 0.000 2.348 901 G HA2 0.229 4.204 3.960 0.025 0.000 0.296 901 G HA3 0.229 4.204 3.960 0.025 0.000 0.296 901 G C -2.722 171.430 174.900 -1.246 0.000 1.258 901 G CA -0.235 44.474 45.100 -0.652 0.000 0.868 901 G HN 0.320 nan 8.290 nan 0.000 0.488 902 P HA 0.073 nan 4.420 nan 0.000 0.235 902 P C 0.370 177.480 177.300 -0.317 0.000 1.177 902 P CA 0.557 63.009 63.100 -1.081 0.000 0.785 902 P CB 0.361 31.558 31.700 -0.839 0.000 0.885 903 Q N 0.798 120.404 119.800 -0.324 0.000 2.382 903 Q HA 0.110 4.465 4.340 0.025 0.000 0.229 903 Q C 0.452 176.346 176.000 -0.176 0.000 1.006 903 Q CA -0.455 55.235 55.803 -0.189 0.000 0.916 903 Q CB 0.618 29.262 28.738 -0.157 0.000 1.235 903 Q HN 0.185 nan 8.270 nan 0.000 0.512 904 E N 1.421 121.523 120.200 -0.163 0.000 2.568 904 E HA -0.124 4.240 4.350 0.025 0.000 0.262 904 E C -1.061 175.447 176.600 -0.152 0.000 0.961 904 E CA 0.267 56.554 56.400 -0.188 0.000 0.945 904 E CB 0.279 29.939 29.700 -0.068 0.000 0.924 904 E HN 0.624 nan 8.360 nan 0.000 0.467 905 N N 2.639 121.167 118.700 -0.287 0.000 2.324 905 N HA 0.273 5.028 4.740 0.025 0.000 0.285 905 N C -1.912 173.320 175.510 -0.464 0.000 1.076 905 N CA -0.659 52.267 53.050 -0.205 0.000 0.864 905 N CB 0.691 39.094 38.487 -0.140 0.000 1.632 905 N HN 0.249 nan 8.380 nan 0.000 0.478 906 Y N 0.551 120.757 120.300 -0.157 0.000 2.602 906 Y HA 0.513 5.077 4.550 0.025 0.000 0.330 906 Y C -1.506 174.323 175.900 -0.118 0.000 1.114 906 Y CA -2.049 55.951 58.100 -0.166 0.000 1.182 906 Y CB 1.451 39.813 38.460 -0.164 0.000 1.305 906 Y HN 0.439 nan 8.280 nan 0.000 0.502 907 P HA -0.192 nan 4.420 nan 0.000 0.215 907 P C 0.498 177.664 177.300 -0.224 0.000 1.157 907 P CA 2.187 65.326 63.100 0.064 0.000 0.874 907 P CB 0.169 32.031 31.700 0.270 0.000 0.790 908 D N -2.060 117.962 120.400 -0.630 0.000 2.342 908 D HA -0.012 4.643 4.640 0.025 0.000 0.221 908 D C 0.714 176.834 176.300 -0.301 0.000 1.101 908 D CA 0.054 53.440 54.000 -1.023 0.000 0.837 908 D CB -0.277 39.652 40.800 -1.452 0.000 0.938 908 D HN 0.135 nan 8.370 nan 0.000 0.508 909 R N 0.968 121.406 120.500 -0.102 0.000 2.627 909 R HA 0.198 4.553 4.340 0.025 0.000 0.251 909 R C -0.495 175.831 176.300 0.044 0.000 1.524 909 R CA -0.139 55.969 56.100 0.013 0.000 1.606 909 R CB 0.003 30.319 30.300 0.027 0.000 1.396 909 R HN 0.110 nan 8.270 nan 0.000 0.724 910 L N -2.301 118.955 121.223 0.055 0.000 3.217 910 L HA 0.338 4.693 4.340 0.025 0.000 0.288 910 L C 1.461 178.391 176.870 0.100 0.000 1.202 910 L CA 0.107 54.982 54.840 0.059 0.000 1.027 910 L CB 0.257 42.342 42.059 0.043 0.000 1.427 910 L HN 0.059 nan 8.230 nan 0.000 0.600 911 T N -2.255 112.385 114.554 0.144 0.000 2.833 911 T HA -0.040 4.325 4.350 0.025 0.000 0.269 911 T C 1.809 176.589 174.700 0.133 0.000 1.054 911 T CA 1.370 63.584 62.100 0.191 0.000 1.135 911 T CB -0.339 68.688 68.868 0.264 0.000 0.869 911 T HN 0.388 nan 8.240 nan 0.000 0.466 912 A N 1.646 124.545 122.820 0.132 0.000 2.066 912 A HA 0.618 4.952 4.320 0.025 0.000 0.218 912 A C 1.650 179.323 177.584 0.148 0.000 1.157 912 A CA 0.588 52.662 52.037 0.063 0.000 0.670 912 A CB -1.013 18.149 19.000 0.269 0.000 0.804 912 A HN 0.868 nan 8.150 nan 0.000 0.453 913 A N -1.094 121.763 122.820 0.061 0.000 2.425 913 A HA 0.429 4.764 4.320 0.025 0.000 0.242 913 A C 0.071 177.695 177.584 0.067 0.000 1.077 913 A CA 0.040 52.079 52.037 0.002 0.000 0.781 913 A CB -0.164 18.824 19.000 -0.020 0.000 1.020 913 A HN 0.515 nan 8.150 nan 0.000 0.494 914 C N 0.464 119.808 119.300 0.074 0.000 2.561 914 C HA 0.535 5.010 4.460 0.025 0.000 0.319 914 C C -0.121 175.024 174.990 0.259 0.000 1.198 914 C CA -0.523 58.604 59.018 0.182 0.000 1.665 914 C CB 0.776 28.646 27.740 0.216 0.000 2.258 914 C HN 0.792 nan 8.230 nan 0.000 0.493 915 F N 3.740 123.572 119.950 -0.198 0.000 2.444 915 F HA 0.475 5.017 4.527 0.024 0.000 0.360 915 F C 0.355 175.829 175.800 -0.543 0.000 1.106 915 F CA 1.210 58.933 58.000 -0.462 0.000 1.170 915 F CB -0.063 38.212 39.000 -1.209 0.000 1.113 915 F HN 0.634 nan 8.300 nan 0.000 0.521 916 D N 3.364 123.192 120.400 -0.953 0.000 2.879 916 D HA 0.156 4.811 4.640 0.025 0.000 0.346 916 D C -1.665 173.734 176.300 -1.501 0.000 1.390 916 D CA -0.751 52.550 54.000 -1.164 0.000 0.838 916 D CB 1.487 41.453 40.800 -1.389 0.000 1.416 916 D HN 0.432 nan 8.370 nan 0.000 0.493 917 R N 0.754 120.458 120.500 -1.328 0.000 2.196 917 R HA 0.480 4.835 4.340 0.025 0.000 0.340 917 R C -1.388 174.200 176.300 -1.187 0.000 1.043 917 R CA -0.100 55.385 56.100 -1.026 0.000 0.883 917 R CB 0.100 30.045 30.300 -0.592 0.000 1.078 917 R HN 0.268 nan 8.270 nan 0.000 0.462 918 W N 2.655 123.444 121.300 -0.852 0.000 2.689 918 W HA 0.411 5.085 4.660 0.025 0.000 0.340 918 W C -0.437 175.681 176.519 -0.668 0.000 1.060 918 W CA -0.787 55.996 57.345 -0.936 0.000 1.218 918 W CB 1.770 30.233 29.460 -1.661 0.000 1.410 918 W HN 0.351 nan 8.180 nan 0.000 0.528 919 D N 2.938 123.281 120.400 -0.095 0.000 2.602 919 D HA 0.432 5.087 4.640 0.025 0.000 0.245 919 D C -1.436 174.951 176.300 0.145 0.000 1.325 919 D CA -0.130 53.906 54.000 0.060 0.000 0.952 919 D CB 1.014 41.825 40.800 0.017 0.000 1.317 919 D HN 0.365 nan 8.370 nan 0.000 0.577 920 L N 3.219 124.606 121.223 0.274 0.000 2.333 920 L HA 0.571 4.926 4.340 0.025 0.000 0.263 920 L C -2.269 174.716 176.870 0.192 0.000 1.014 920 L CA -2.170 52.804 54.840 0.224 0.000 0.820 920 L CB 2.573 44.799 42.059 0.279 0.000 1.352 920 L HN 0.166 nan 8.230 nan 0.000 0.421 921 P HA 0.011 nan 4.420 nan 0.000 0.271 921 P C 0.561 177.941 177.300 0.134 0.000 1.218 921 P CA -0.338 62.834 63.100 0.119 0.000 0.780 921 P CB 0.958 32.708 31.700 0.083 0.000 0.901 922 L N 3.422 124.731 121.223 0.143 0.000 2.081 922 L HA -0.249 4.106 4.340 0.025 0.000 0.212 922 L C 2.256 179.180 176.870 0.090 0.000 1.080 922 L CA 2.707 57.624 54.840 0.127 0.000 0.754 922 L CB -1.387 40.768 42.059 0.160 0.000 0.893 922 L HN 0.449 nan 8.230 nan 0.000 0.433 923 S N -1.843 113.912 115.700 0.092 0.000 2.399 923 S HA -0.171 4.314 4.470 0.025 0.000 0.231 923 S C 1.624 176.299 174.600 0.125 0.000 1.022 923 S CA 1.075 59.343 58.200 0.114 0.000 0.983 923 S CB -0.773 62.489 63.200 0.103 0.000 0.803 923 S HN 0.513 nan 8.310 nan 0.000 0.480 924 D N 1.218 121.668 120.400 0.084 0.000 2.378 924 D HA 0.077 4.732 4.640 0.025 0.000 0.222 924 D C 1.225 177.537 176.300 0.021 0.000 0.980 924 D CA 0.600 54.628 54.000 0.047 0.000 0.907 924 D CB -0.174 40.658 40.800 0.053 0.000 0.899 924 D HN 0.387 nan 8.370 nan 0.000 0.527 925 M N -0.426 119.198 119.600 0.040 0.000 2.563 925 M HA 0.039 4.534 4.480 0.025 0.000 0.231 925 M C -0.001 176.314 176.300 0.025 0.000 1.136 925 M CA 0.054 55.335 55.300 -0.032 0.000 1.026 925 M CB -0.792 31.773 32.600 -0.059 0.000 1.597 925 M HN -0.034 nan 8.290 nan 0.000 0.495 926 Y N -0.076 120.193 120.300 -0.052 0.000 2.409 926 Y HA 0.496 5.061 4.550 0.025 0.000 0.343 926 Y C -0.786 175.086 175.900 -0.045 0.000 0.973 926 Y CA -1.075 57.016 58.100 -0.014 0.000 1.064 926 Y CB 1.314 39.824 38.460 0.082 0.000 1.207 926 Y HN -0.146 nan 8.280 nan 0.000 0.452 927 T N 9.023 123.191 114.554 -0.643 0.000 2.756 927 T HA 0.279 4.644 4.350 0.025 0.000 0.290 927 T C -2.632 171.397 174.700 -1.117 0.000 0.985 927 T CA -1.500 60.136 62.100 -0.772 0.000 0.955 927 T CB 1.066 69.535 68.868 -0.664 0.000 0.930 927 T HN 0.467 nan 8.240 nan 0.000 0.451 928 P HA 0.093 nan 4.420 nan 0.000 0.238 928 P C -0.548 176.727 177.300 -0.042 0.000 1.714 928 P CA -0.400 62.347 63.100 -0.588 0.000 0.908 928 P CB -0.782 30.682 31.700 -0.394 0.000 1.893 929 Y N -0.475 119.854 120.300 0.050 0.000 2.702 929 Y HA -0.119 4.446 4.550 0.025 0.000 0.336 929 Y C 2.335 178.344 175.900 0.182 0.000 1.235 929 Y CA -0.314 57.878 58.100 0.153 0.000 1.492 929 Y CB 0.373 38.792 38.460 -0.068 0.000 1.308 929 Y HN -0.116 nan 8.280 nan 0.000 0.589 930 V N 2.874 123.062 119.914 0.456 0.000 2.255 930 V HA -0.312 3.823 4.120 0.025 0.000 0.247 930 V C 0.579 176.850 176.094 0.295 0.000 1.051 930 V CA 1.523 64.048 62.300 0.376 0.000 1.018 930 V CB -0.535 31.536 31.823 0.413 0.000 0.641 930 V HN 0.591 nan 8.190 nan 0.000 0.445 931 F N 3.284 123.288 119.950 0.089 0.000 2.390 931 F HA 0.486 5.028 4.527 0.025 0.000 0.361 931 F C -2.479 173.323 175.800 0.004 0.000 1.124 931 F CA -3.480 54.504 58.000 -0.028 0.000 1.149 931 F CB 0.684 39.545 39.000 -0.232 0.000 1.160 931 F HN 0.016 nan 8.300 nan 0.000 0.501 932 P HA 0.285 nan 4.420 nan 0.000 0.275 932 P C -1.063 175.924 177.300 -0.522 0.000 1.227 932 P CA -0.008 62.844 63.100 -0.414 0.000 0.781 932 P CB 1.385 32.898 31.700 -0.311 0.000 0.906 933 S N 0.251 115.832 115.700 -0.198 0.000 2.727 933 S HA 0.465 4.950 4.470 0.025 0.000 0.278 933 S C -0.745 173.840 174.600 -0.025 0.000 1.186 933 S CA -0.948 57.172 58.200 -0.133 0.000 0.836 933 S CB 0.418 63.557 63.200 -0.100 0.000 1.186 933 S HN 0.344 nan 8.310 nan 0.000 0.499 934 E N 1.088 121.283 120.200 -0.009 0.000 2.502 934 E HA 0.366 4.731 4.350 0.025 0.000 0.261 934 E C -0.193 176.451 176.600 0.072 0.000 0.974 934 E CA 0.634 57.058 56.400 0.041 0.000 0.936 934 E CB -0.143 29.604 29.700 0.079 0.000 0.926 934 E HN 0.792 nan 8.360 nan 0.000 0.459 935 N N 1.265 120.048 118.700 0.139 0.000 3.116 935 N HA 0.454 5.209 4.740 0.025 0.000 0.244 935 N C 0.111 175.687 175.510 0.109 0.000 1.485 935 N CA -0.599 52.576 53.050 0.209 0.000 0.884 935 N CB 0.812 39.449 38.487 0.250 0.000 1.415 935 N HN 0.762 nan 8.380 nan 0.000 0.524 936 G N -1.262 107.571 108.800 0.055 0.000 2.166 936 G HA2 -0.270 3.704 3.960 0.025 0.000 0.260 936 G HA3 -0.270 3.704 3.960 0.025 0.000 0.260 936 G C -0.265 174.391 174.900 -0.406 0.000 0.986 936 G CA 0.534 45.546 45.100 -0.146 0.000 0.683 936 G HN 0.707 nan 8.290 nan 0.000 0.527 937 L N -0.189 120.718 121.223 -0.527 0.000 2.461 937 L HA 0.700 5.054 4.340 0.025 0.000 0.272 937 L C 0.646 176.934 176.870 -0.971 0.000 1.197 937 L CA 0.195 54.484 54.840 -0.919 0.000 0.836 937 L CB 0.614 41.837 42.059 -1.394 0.000 1.105 937 L HN 0.222 nan 8.230 nan 0.000 0.477 938 R N 2.554 122.385 120.500 -1.115 0.000 2.513 938 R HA 0.500 4.855 4.340 0.025 0.000 0.301 938 R C -1.007 174.943 176.300 -0.583 0.000 0.968 938 R CA -0.256 55.325 56.100 -0.864 0.000 0.872 938 R CB 1.357 30.966 30.300 -1.152 0.000 1.177 938 R HN 0.714 nan 8.270 nan 0.000 0.444 939 C N 0.440 119.546 119.300 -0.323 0.000 2.380 939 C HA 0.680 5.155 4.460 0.025 0.000 0.393 939 C C 1.246 176.217 174.990 -0.032 0.000 1.284 939 C CA -0.088 58.822 59.018 -0.179 0.000 2.033 939 C CB 1.314 28.970 27.740 -0.141 0.000 2.165 939 C HN 1.021 nan 8.230 nan 0.000 0.540 940 G N 1.953 110.755 108.800 0.003 0.000 2.422 940 G HA2 -0.186 3.788 3.960 0.025 0.000 0.301 940 G HA3 -0.186 3.788 3.960 0.025 0.000 0.301 940 G C -0.041 174.919 174.900 0.101 0.000 0.981 940 G CA 0.635 45.786 45.100 0.085 0.000 0.994 940 G HN 0.808 nan 8.290 nan 0.000 0.514 941 T N 0.147 114.624 114.554 -0.127 0.000 2.767 941 T HA 0.505 4.869 4.350 0.025 0.000 0.288 941 T C 1.326 175.669 174.700 -0.596 0.000 0.963 941 T CA -0.679 61.254 62.100 -0.280 0.000 1.019 941 T CB 1.435 70.127 68.868 -0.295 0.000 0.923 941 T HN 0.264 nan 8.240 nan 0.000 0.468 942 R N 1.589 121.965 120.500 -0.208 0.000 2.282 942 R HA 0.277 4.632 4.340 0.025 0.000 0.195 942 R C 0.529 176.828 176.300 -0.003 0.000 0.909 942 R CA 0.146 56.199 56.100 -0.078 0.000 1.039 942 R CB 0.363 30.757 30.300 0.156 0.000 1.015 942 R HN 0.736 nan 8.270 nan 0.000 0.513 943 E N 0.546 120.740 120.200 -0.010 0.000 2.335 943 E HA 0.332 4.697 4.350 0.025 0.000 0.280 943 E C -1.874 174.831 176.600 0.175 0.000 0.918 943 E CA -0.688 55.801 56.400 0.149 0.000 0.765 943 E CB 1.499 31.267 29.700 0.113 0.000 1.218 943 E HN -0.079 nan 8.360 nan 0.000 0.425 944 L N 4.153 125.551 121.223 0.291 0.000 2.409 944 L HA 0.594 4.949 4.340 0.025 0.000 0.272 944 L C -1.861 175.212 176.870 0.338 0.000 0.980 944 L CA -0.397 54.564 54.840 0.202 0.000 0.826 944 L CB 1.710 43.765 42.059 -0.007 0.000 1.268 944 L HN 0.527 nan 8.230 nan 0.000 0.407 945 N N 4.331 123.199 118.700 0.280 0.000 2.284 945 N HA 0.450 5.205 4.740 0.025 0.000 0.300 945 N C -1.984 173.780 175.510 0.423 0.000 1.047 945 N CA -0.305 52.928 53.050 0.305 0.000 0.821 945 N CB 2.438 41.031 38.487 0.176 0.000 1.337 945 N HN 0.586 nan 8.380 nan 0.000 0.482 946 Y N 0.772 121.256 120.300 0.307 0.000 2.323 946 Y HA 0.395 4.960 4.550 0.025 0.000 0.322 946 Y C 0.614 176.640 175.900 0.210 0.000 1.133 946 Y CA 0.236 58.501 58.100 0.275 0.000 1.093 946 Y CB 0.690 39.368 38.460 0.364 0.000 1.203 946 Y HN 0.864 nan 8.280 nan 0.000 0.427 947 G N 6.383 115.041 108.800 -0.237 0.000 2.583 947 G HA2 -0.298 3.676 3.960 0.025 0.000 0.292 947 G HA3 -0.298 3.676 3.960 0.025 0.000 0.292 947 G C -1.726 173.066 174.900 -0.180 0.000 1.203 947 G CA 0.145 45.083 45.100 -0.270 0.000 0.987 947 G HN 0.611 nan 8.290 nan 0.000 0.554 948 P HA 0.174 nan 4.420 nan 0.000 0.255 948 P C 0.072 177.139 177.300 -0.389 0.000 1.248 948 P CA 0.607 63.509 63.100 -0.330 0.000 0.807 948 P CB 0.057 31.506 31.700 -0.419 0.000 1.150 949 H N 0.479 119.468 119.070 -0.135 0.000 2.467 949 H HA 0.462 5.033 4.556 0.025 0.000 0.331 949 H C -0.140 174.875 175.328 -0.521 0.000 1.120 949 H CA -0.076 55.740 56.048 -0.386 0.000 1.270 949 H CB 1.831 31.087 29.762 -0.843 0.000 1.466 949 H HN 0.091 nan 8.280 nan 0.000 0.504 950 Q N 2.678 122.204 119.800 -0.457 0.000 2.347 950 Q HA 0.290 4.645 4.340 0.025 0.000 0.271 950 Q C -1.599 174.135 176.000 -0.444 0.000 1.064 950 Q CA -0.756 54.889 55.803 -0.265 0.000 0.800 950 Q CB 2.227 30.939 28.738 -0.044 0.000 1.304 950 Q HN 0.590 nan 8.270 nan 0.000 0.438 951 W N 3.668 124.920 121.300 -0.080 0.000 2.739 951 W HA 0.565 5.240 4.660 0.025 0.000 0.331 951 W C -0.362 176.236 176.519 0.132 0.000 1.049 951 W CA -0.769 56.495 57.345 -0.135 0.000 1.234 951 W CB 2.012 31.192 29.460 -0.467 0.000 1.404 951 W HN 0.541 nan 8.180 nan 0.000 0.477 952 R N 0.620 121.357 120.500 0.394 0.000 2.803 952 R HA 0.821 5.175 4.340 0.025 0.000 0.276 952 R C 0.243 176.846 176.300 0.506 0.000 0.978 952 R CA -0.426 55.937 56.100 0.438 0.000 0.939 952 R CB 2.438 32.894 30.300 0.260 0.000 1.179 952 R HN 0.746 nan 8.270 nan 0.000 0.472 953 G N 0.473 109.568 108.800 0.491 0.000 2.591 953 G HA2 -0.005 3.970 3.960 0.025 0.000 0.104 953 G HA3 -0.005 3.970 3.960 0.025 0.000 0.104 953 G C -1.688 173.368 174.900 0.260 0.000 1.097 953 G CA -0.298 45.054 45.100 0.420 0.000 1.076 953 G HN 0.490 nan 8.290 nan 0.000 0.485 954 D N 0.157 120.726 120.400 0.281 0.000 2.472 954 D HA 0.570 5.225 4.640 0.025 0.000 0.248 954 D C -0.683 175.671 176.300 0.090 0.000 1.271 954 D CA -0.451 53.599 54.000 0.083 0.000 0.888 954 D CB 0.104 40.968 40.800 0.107 0.000 1.337 954 D HN 0.500 nan 8.370 nan 0.000 0.526 955 F N -0.520 119.429 119.950 -0.002 0.000 2.824 955 F HA 0.734 5.276 4.527 0.025 0.000 0.330 955 F C -1.123 174.641 175.800 -0.059 0.000 1.175 955 F CA -1.003 56.936 58.000 -0.101 0.000 0.974 955 F CB 0.762 39.701 39.000 -0.102 0.000 1.430 955 F HN -0.195 nan 8.300 nan 0.000 0.507 956 Q N 1.558 121.467 119.800 0.183 0.000 2.365 956 Q HA 0.608 4.962 4.340 0.025 0.000 0.269 956 Q C -1.377 174.689 176.000 0.109 0.000 1.061 956 Q CA -0.476 55.332 55.803 0.010 0.000 0.816 956 Q CB 2.735 31.364 28.738 -0.183 0.000 1.325 956 Q HN 0.878 nan 8.270 nan 0.000 0.446 957 F N -0.776 119.060 119.950 -0.191 0.000 2.685 957 F HA 0.791 5.333 4.527 0.025 0.000 0.315 957 F C -1.481 174.097 175.800 -0.370 0.000 1.126 957 F CA -1.045 56.793 58.000 -0.270 0.000 0.950 957 F CB 1.755 40.604 39.000 -0.252 0.000 1.360 957 F HN 0.564 nan 8.300 nan 0.000 0.469 958 N N 1.392 119.852 118.700 -0.400 0.000 2.329 958 N HA 0.706 5.461 4.740 0.025 0.000 0.282 958 N C -2.175 173.263 175.510 -0.121 0.000 1.198 958 N CA -0.702 52.114 53.050 -0.389 0.000 0.790 958 N CB 2.530 40.809 38.487 -0.346 0.000 1.579 958 N HN 1.143 nan 8.380 nan 0.000 0.475 959 I N 0.601 121.095 120.570 -0.126 0.000 2.649 959 I HA 0.673 4.857 4.170 0.025 0.000 0.289 959 I C -1.488 174.542 176.117 -0.146 0.000 1.222 959 I CA 0.077 61.278 61.300 -0.166 0.000 1.046 959 I CB 1.340 39.168 38.000 -0.287 0.000 1.272 959 I HN 1.077 nan 8.210 nan 0.000 0.425 960 S N 6.264 121.888 115.700 -0.127 0.000 2.656 960 S HA 0.493 4.978 4.470 0.025 0.000 0.265 960 S C -0.433 174.056 174.600 -0.185 0.000 1.132 960 S CA -0.987 57.128 58.200 -0.142 0.000 0.819 960 S CB 1.575 64.740 63.200 -0.058 0.000 1.119 960 S HN 0.648 nan 8.310 nan 0.000 0.476 961 R N 0.061 120.278 120.500 -0.471 0.000 2.391 961 R HA 0.262 4.616 4.340 0.025 0.000 0.249 961 R C -0.966 174.970 176.300 -0.607 0.000 0.957 961 R CA 0.247 56.044 56.100 -0.504 0.000 1.093 961 R CB -0.940 28.980 30.300 -0.635 0.000 1.156 961 R HN 0.654 nan 8.270 nan 0.000 0.526 962 Y N 0.193 120.471 120.300 -0.035 0.000 2.338 962 Y HA 0.188 4.753 4.550 0.025 0.000 0.333 962 Y C 0.642 176.371 175.900 -0.285 0.000 0.968 962 Y CA -1.105 56.893 58.100 -0.170 0.000 1.123 962 Y CB 1.537 39.826 38.460 -0.284 0.000 1.165 962 Y HN -0.073 nan 8.280 nan 0.000 0.452 963 S N 1.687 117.095 115.700 -0.487 0.000 2.593 963 S HA 0.041 4.526 4.470 0.025 0.000 0.269 963 S C 0.981 175.246 174.600 -0.559 0.000 1.334 963 S CA -0.678 56.840 58.200 -1.136 0.000 1.015 963 S CB 1.218 63.502 63.200 -1.526 0.000 0.912 963 S HN 0.727 nan 8.310 nan 0.000 0.541 964 Q N 0.924 120.410 119.800 -0.523 0.000 2.112 964 Q HA -0.224 4.131 4.340 0.025 0.000 0.206 964 Q C 2.229 178.089 176.000 -0.233 0.000 0.987 964 Q CA 2.136 57.771 55.803 -0.280 0.000 0.858 964 Q CB -0.714 27.891 28.738 -0.221 0.000 0.905 964 Q HN 0.979 nan 8.270 nan 0.000 0.420 965 Q N 0.324 119.950 119.800 -0.290 0.000 2.061 965 Q HA -0.233 4.122 4.340 0.025 0.000 0.204 965 Q C 2.150 178.048 176.000 -0.170 0.000 0.984 965 Q CA 1.725 57.415 55.803 -0.189 0.000 0.846 965 Q CB -0.014 28.607 28.738 -0.195 0.000 0.902 965 Q HN 0.423 nan 8.270 nan 0.000 0.421 966 Q N -0.040 119.635 119.800 -0.209 0.000 2.050 966 Q HA -0.184 4.171 4.340 0.025 0.000 0.202 966 Q C 2.219 178.103 176.000 -0.195 0.000 0.980 966 Q CA 1.371 57.065 55.803 -0.182 0.000 0.840 966 Q CB -0.088 28.523 28.738 -0.212 0.000 0.898 966 Q HN 0.470 nan 8.270 nan 0.000 0.424 967 L N 0.529 121.631 121.223 -0.202 0.000 2.012 967 L HA -0.248 4.107 4.340 0.025 0.000 0.210 967 L C 2.772 179.516 176.870 -0.209 0.000 1.073 967 L CA 1.745 56.460 54.840 -0.209 0.000 0.748 967 L CB -0.568 41.400 42.059 -0.152 0.000 0.891 967 L HN 0.481 nan 8.230 nan 0.000 0.431 968 M N -1.281 118.227 119.600 -0.153 0.000 2.374 968 M HA -0.148 4.346 4.480 0.025 0.000 0.264 968 M C 1.441 177.671 176.300 -0.115 0.000 1.067 968 M CA 1.723 56.947 55.300 -0.127 0.000 1.103 968 M CB -0.424 32.116 32.600 -0.100 0.000 1.402 968 M HN 0.160 nan 8.290 nan 0.000 0.444 969 E N 0.781 120.912 120.200 -0.115 0.000 2.442 969 E HA 0.081 4.446 4.350 0.025 0.000 0.195 969 E C -0.250 176.303 176.600 -0.078 0.000 1.030 969 E CA 0.293 56.646 56.400 -0.077 0.000 0.869 969 E CB 0.399 30.062 29.700 -0.063 0.000 0.857 969 E HN 0.434 nan 8.360 nan 0.000 0.505 970 T N 0.414 114.886 114.554 -0.138 0.000 2.771 970 T HA 0.117 4.482 4.350 0.025 0.000 0.281 970 T C 0.907 175.509 174.700 -0.163 0.000 0.982 970 T CA -0.482 61.537 62.100 -0.136 0.000 0.978 970 T CB 1.622 70.373 68.868 -0.195 0.000 0.930 970 T HN 0.015 nan 8.240 nan 0.000 0.447 971 S N 1.677 117.390 115.700 0.022 0.000 2.548 971 S HA 0.124 4.608 4.470 0.025 0.000 0.215 971 S C 0.160 174.857 174.600 0.161 0.000 0.976 971 S CA 0.012 58.309 58.200 0.160 0.000 0.908 971 S CB -0.202 63.278 63.200 0.467 0.000 0.781 971 S HN 0.722 nan 8.310 nan 0.000 0.519 972 H N 1.060 120.145 119.070 0.025 0.000 2.840 972 H HA 0.454 5.025 4.556 0.025 0.000 0.340 972 H C 0.970 176.257 175.328 -0.069 0.000 1.004 972 H CA -0.824 55.275 56.048 0.085 0.000 1.288 972 H CB 1.465 31.248 29.762 0.036 0.000 1.607 972 H HN 0.140 nan 8.280 nan 0.000 0.522 973 R N 2.398 122.990 120.500 0.155 0.000 2.127 973 R HA -0.197 4.157 4.340 0.025 0.000 0.238 973 R C 1.278 177.587 176.300 0.016 0.000 1.134 973 R CA 1.928 58.061 56.100 0.055 0.000 0.975 973 R CB -0.504 29.880 30.300 0.140 0.000 0.865 973 R HN 0.770 nan 8.270 nan 0.000 0.447 974 H N 1.100 120.195 119.070 0.043 0.000 2.518 974 H HA -0.026 4.544 4.556 0.025 0.000 0.289 974 H C 1.540 176.809 175.328 -0.099 0.000 1.051 974 H CA 1.056 57.092 56.048 -0.020 0.000 1.280 974 H CB -0.215 29.535 29.762 -0.019 0.000 1.380 974 H HN 0.340 nan 8.280 nan 0.000 0.566 975 L N 0.718 121.573 121.223 -0.613 0.000 2.529 975 L HA 0.185 4.540 4.340 0.025 0.000 0.223 975 L C 0.873 177.605 176.870 -0.229 0.000 1.113 975 L CA -0.165 54.391 54.840 -0.473 0.000 0.861 975 L CB 0.105 41.851 42.059 -0.522 0.000 1.012 975 L HN 0.048 nan 8.230 nan 0.000 0.461 976 L N 1.090 122.163 121.223 -0.249 0.000 2.483 976 L HA 0.046 4.401 4.340 0.025 0.000 0.276 976 L C 0.205 177.025 176.870 -0.084 0.000 1.213 976 L CA 0.181 54.837 54.840 -0.306 0.000 0.843 976 L CB 0.157 41.807 42.059 -0.682 0.000 1.107 976 L HN 0.224 nan 8.230 nan 0.000 0.487 977 H N 1.707 120.803 119.070 0.044 0.000 2.667 977 H HA 0.593 5.164 4.556 0.025 0.000 0.353 977 H C -0.793 174.670 175.328 0.224 0.000 1.072 977 H CA -1.215 54.898 56.048 0.109 0.000 1.214 977 H CB 1.305 31.086 29.762 0.032 0.000 1.600 977 H HN 0.680 nan 8.280 nan 0.000 0.527 978 A N 3.689 126.640 122.820 0.218 0.000 2.511 978 A HA 0.098 4.433 4.320 0.025 0.000 0.242 978 A C 0.349 177.989 177.584 0.093 0.000 1.069 978 A CA -0.165 51.850 52.037 -0.036 0.000 0.763 978 A CB 0.027 18.979 19.000 -0.080 0.000 1.001 978 A HN 0.851 nan 8.150 nan 0.000 0.498 979 E N 0.821 121.037 120.200 0.028 0.000 2.280 979 E HA 0.204 4.569 4.350 0.025 0.000 0.261 979 E C 0.006 176.642 176.600 0.061 0.000 1.088 979 E CA -0.713 55.780 56.400 0.156 0.000 0.915 979 E CB 0.794 30.665 29.700 0.285 0.000 1.141 979 E HN 0.795 nan 8.360 nan 0.000 0.433 980 E N 0.455 120.687 120.200 0.053 0.000 2.398 980 E HA 0.186 4.551 4.350 0.025 0.000 0.263 980 E C 0.297 176.844 176.600 -0.087 0.000 1.046 980 E CA 0.603 56.993 56.400 -0.015 0.000 0.908 980 E CB 0.411 30.102 29.700 -0.015 0.000 0.963 980 E HN 0.673 nan 8.360 nan 0.000 0.431 981 G N 2.629 111.377 108.800 -0.087 0.000 2.698 981 G HA2 -0.222 3.753 3.960 0.025 0.000 0.233 981 G HA3 -0.222 3.753 3.960 0.025 0.000 0.233 981 G C -0.684 174.131 174.900 -0.142 0.000 1.352 981 G CA -0.120 44.903 45.100 -0.127 0.000 0.879 981 G HN 0.620 nan 8.290 nan 0.000 0.567 982 T N 0.379 114.832 114.554 -0.169 0.000 2.840 982 T HA 0.491 4.855 4.350 0.025 0.000 0.287 982 T C -0.586 173.946 174.700 -0.280 0.000 0.991 982 T CA -0.174 61.837 62.100 -0.148 0.000 0.964 982 T CB 1.145 70.025 68.868 0.020 0.000 0.954 982 T HN 0.565 nan 8.240 nan 0.000 0.438 983 W N 3.470 124.680 121.300 -0.150 0.000 2.356 983 W HA 0.530 5.205 4.660 0.025 0.000 0.311 983 W C -0.136 176.256 176.519 -0.211 0.000 1.328 983 W CA -0.683 56.569 57.345 -0.154 0.000 1.251 983 W CB 0.464 29.843 29.460 -0.135 0.000 1.280 983 W HN 0.355 nan 8.180 nan 0.000 0.524 984 L N 5.740 126.959 121.223 -0.006 0.000 2.333 984 L HA 0.500 4.855 4.340 0.025 0.000 0.280 984 L C -0.908 175.878 176.870 -0.140 0.000 1.004 984 L CA -0.625 54.100 54.840 -0.192 0.000 0.820 984 L CB 0.873 42.700 42.059 -0.387 0.000 1.247 984 L HN 0.316 nan 8.230 nan 0.000 0.416 985 N N 7.086 125.686 118.700 -0.166 0.000 2.479 985 N HA 0.441 5.195 4.740 0.025 0.000 0.261 985 N C -1.190 174.186 175.510 -0.223 0.000 0.979 985 N CA -0.284 52.666 53.050 -0.167 0.000 0.930 985 N CB 2.123 40.532 38.487 -0.130 0.000 1.172 985 N HN 0.528 nan 8.380 nan 0.000 0.499 986 I N 1.814 122.209 120.570 -0.292 0.000 2.355 986 I HA 0.268 4.453 4.170 0.025 0.000 0.288 986 I C -0.537 175.399 176.117 -0.302 0.000 0.999 986 I CA -0.493 60.596 61.300 -0.351 0.000 1.163 986 I CB 1.580 39.218 38.000 -0.604 0.000 1.316 986 I HN 0.171 nan 8.210 nan 0.000 0.454 987 D N 4.323 124.576 120.400 -0.244 0.000 2.362 987 D HA 0.305 4.960 4.640 0.025 0.000 0.247 987 D C 0.961 176.966 176.300 -0.491 0.000 1.050 987 D CA -0.279 53.511 54.000 -0.350 0.000 0.839 987 D CB 2.561 43.248 40.800 -0.189 0.000 1.283 987 D HN 0.682 nan 8.370 nan 0.000 0.477 988 G N 1.081 109.268 108.800 -1.022 0.000 2.394 988 G HA2 -0.039 3.936 3.960 0.025 0.000 0.215 988 G HA3 -0.039 3.936 3.960 0.025 0.000 0.215 988 G C 0.112 174.265 174.900 -1.244 0.000 1.165 988 G CA 0.658 44.978 45.100 -1.299 0.000 0.784 988 G HN 0.384 nan 8.290 nan 0.000 0.535 989 F N -1.904 117.850 119.950 -0.326 0.000 2.578 989 F HA 0.608 5.150 4.527 0.024 0.000 0.311 989 F C -0.512 175.201 175.800 -0.144 0.000 1.094 989 F CA -1.175 56.724 58.000 -0.169 0.000 0.923 989 F CB 2.129 40.977 39.000 -0.254 0.000 1.230 989 F HN 0.042 nan 8.300 nan 0.000 0.450 990 H N 2.046 121.137 119.070 0.035 0.000 2.771 990 H HA 0.535 5.106 4.556 0.024 0.000 0.361 990 H C -0.742 174.623 175.328 0.062 0.000 1.108 990 H CA -0.894 55.150 56.048 -0.006 0.000 1.201 990 H CB 1.823 31.567 29.762 -0.030 0.000 1.681 990 H HN 0.782 nan 8.280 nan 0.000 0.534 991 M N 3.499 123.016 119.600 -0.139 0.000 2.248 991 M HA 0.285 4.780 4.480 0.025 0.000 0.337 991 M C 0.462 176.882 176.300 0.199 0.000 1.121 991 M CA 0.241 55.552 55.300 0.018 0.000 1.155 991 M CB 0.390 32.904 32.600 -0.143 0.000 1.514 991 M HN 0.835 nan 8.290 nan 0.000 0.452 992 G N 3.082 111.993 108.800 0.185 0.000 2.664 992 G HA2 0.248 4.223 3.960 0.025 0.000 0.242 992 G HA3 0.248 4.223 3.960 0.025 0.000 0.242 992 G C 0.643 175.538 174.900 -0.009 0.000 1.225 992 G CA -0.361 44.785 45.100 0.078 0.000 0.849 992 G HN 0.997 nan 8.290 nan 0.000 0.581 993 I N -0.964 119.548 120.570 -0.096 0.000 3.427 993 I HA 0.375 4.559 4.170 0.025 0.000 0.288 993 I C 1.224 177.264 176.117 -0.127 0.000 1.249 993 I CA 0.556 61.749 61.300 -0.179 0.000 1.421 993 I CB -0.578 37.207 38.000 -0.359 0.000 1.086 993 I HN 0.930 nan 8.210 nan 0.000 0.448 994 G N 1.517 110.268 108.800 -0.082 0.000 2.601 994 G HA2 0.002 3.977 3.960 0.025 0.000 0.252 994 G HA3 0.002 3.977 3.960 0.025 0.000 0.252 994 G C 0.593 175.478 174.900 -0.024 0.000 1.294 994 G CA 0.139 45.225 45.100 -0.024 0.000 0.912 994 G HN 1.386 nan 8.290 nan 0.000 0.574 995 G N -2.460 106.337 108.800 -0.004 0.000 2.425 995 G HA2 -0.026 3.949 3.960 0.025 0.000 0.177 995 G HA3 -0.026 3.949 3.960 0.025 0.000 0.177 995 G C 0.719 175.664 174.900 0.075 0.000 0.999 995 G CA 0.895 46.003 45.100 0.014 0.000 0.723 995 G HN 1.020 nan 8.290 nan 0.000 0.491 996 D N 1.327 121.792 120.400 0.109 0.000 2.203 996 D HA 0.051 4.706 4.640 0.025 0.000 0.199 996 D C 1.042 177.365 176.300 0.038 0.000 0.997 996 D CA 2.143 56.263 54.000 0.200 0.000 0.863 996 D CB 0.076 41.015 40.800 0.232 0.000 0.928 996 D HN 0.816 nan 8.370 nan 0.000 0.458 997 D N -3.286 116.930 120.400 -0.307 0.000 2.643 997 D HA 0.346 5.000 4.640 0.025 0.000 0.283 997 D C -0.835 174.956 176.300 -0.849 0.000 1.242 997 D CA -0.756 52.628 54.000 -1.028 0.000 0.863 997 D CB 0.896 40.443 40.800 -2.089 0.000 1.382 997 D HN -0.299 nan 8.370 nan 0.000 0.444 998 S N -0.642 114.394 115.700 -1.106 0.000 2.624 998 S HA 0.260 4.745 4.470 0.025 0.000 0.246 998 S C -0.712 173.904 174.600 0.027 0.000 1.072 998 S CA -0.699 57.361 58.200 -0.232 0.000 1.045 998 S CB -0.563 62.759 63.200 0.203 0.000 0.851 998 S HN 0.617 nan 8.310 nan 0.000 0.480 999 W N 0.617 121.868 121.300 -0.082 0.000 1.780 999 W HA 0.510 5.184 4.660 0.023 0.000 0.256 999 W C -0.060 176.407 176.519 -0.087 0.000 0.844 999 W CA -0.505 56.784 57.345 -0.094 0.000 1.227 999 W CB -0.610 28.719 29.460 -0.219 0.000 1.006 999 W HN 0.180 nan 8.180 nan 0.000 0.493 1000 S N -0.868 114.728 115.700 -0.175 0.000 2.550 1000 S HA 0.663 5.147 4.470 0.025 0.000 0.270 1000 S C -3.109 171.428 174.600 -0.104 0.000 1.145 1000 S CA -1.675 56.463 58.200 -0.103 0.000 0.852 1000 S CB 1.847 65.011 63.200 -0.059 0.000 1.119 1000 S HN -0.209 nan 8.310 nan 0.000 0.465 1001 P HA 0.189 nan 4.420 nan 0.000 0.262 1001 P C 0.446 177.783 177.300 0.061 0.000 1.199 1001 P CA -0.008 63.096 63.100 0.007 0.000 0.763 1001 P CB 0.688 32.297 31.700 -0.151 0.000 0.790 1002 S N 0.961 116.730 115.700 0.114 0.000 2.666 1002 S HA 0.122 4.607 4.470 0.025 0.000 0.239 1002 S C 0.312 174.990 174.600 0.129 0.000 1.031 1002 S CA -0.259 57.986 58.200 0.074 0.000 1.015 1002 S CB -0.194 62.997 63.200 -0.014 0.000 0.981 1002 S HN 0.113 nan 8.310 nan 0.000 0.547 1003 V N 2.916 122.950 119.914 0.200 0.000 2.439 1003 V HA 0.345 4.480 4.120 0.025 0.000 0.271 1003 V C 0.781 177.021 176.094 0.244 0.000 1.040 1003 V CA -0.329 62.079 62.300 0.181 0.000 1.002 1003 V CB 0.783 32.647 31.823 0.068 0.000 1.000 1003 V HN 0.468 nan 8.190 nan 0.000 0.477 1004 S N 3.871 119.724 115.700 0.255 0.000 2.568 1004 S HA 0.307 4.791 4.470 0.025 0.000 0.282 1004 S C 1.547 176.286 174.600 0.230 0.000 1.338 1004 S CA 0.080 58.428 58.200 0.246 0.000 1.045 1004 S CB 1.119 64.486 63.200 0.279 0.000 0.873 1004 S HN 0.993 nan 8.310 nan 0.000 0.516 1005 A N 3.666 126.581 122.820 0.158 0.000 1.917 1005 A HA -0.163 4.172 4.320 0.025 0.000 0.219 1005 A C 2.011 179.627 177.584 0.054 0.000 1.182 1005 A CA 1.906 54.021 52.037 0.131 0.000 0.633 1005 A CB -0.661 18.391 19.000 0.088 0.000 0.819 1005 A HN 0.953 nan 8.150 nan 0.000 0.448 1006 E N -0.986 119.187 120.200 -0.045 0.000 2.409 1006 E HA -0.115 4.250 4.350 0.025 0.000 0.198 1006 E C 0.868 177.240 176.600 -0.380 0.000 1.024 1006 E CA 0.753 57.011 56.400 -0.236 0.000 0.861 1006 E CB -0.436 29.037 29.700 -0.379 0.000 0.788 1006 E HN 0.679 nan 8.360 nan 0.000 0.521 1007 F N 1.106 121.109 119.950 0.089 0.000 2.653 1007 F HA 0.254 4.796 4.527 0.024 0.000 0.304 1007 F C 0.902 176.745 175.800 0.071 0.000 1.092 1007 F CA -0.437 57.615 58.000 0.088 0.000 1.279 1007 F CB 0.549 39.600 39.000 0.085 0.000 1.044 1007 F HN -0.181 nan 8.300 nan 0.000 0.564 1008 Q N 1.249 121.155 119.800 0.178 0.000 2.259 1008 Q HA 0.348 4.703 4.340 0.025 0.000 0.249 1008 Q C -0.155 175.890 176.000 0.075 0.000 0.914 1008 Q CA -0.414 55.478 55.803 0.148 0.000 0.904 1008 Q CB 1.613 30.528 28.738 0.295 0.000 1.213 1008 Q HN 0.233 nan 8.270 nan 0.000 0.428 1009 L N 2.714 123.967 121.223 0.050 0.000 2.384 1009 L HA 0.088 4.443 4.340 0.025 0.000 0.258 1009 L C 0.487 177.299 176.870 -0.098 0.000 1.266 1009 L CA 0.018 54.863 54.840 0.008 0.000 1.162 1009 L CB -0.427 41.536 42.059 -0.160 0.000 1.375 1009 L HN 0.693 nan 8.230 nan 0.000 0.420 1010 S N -1.156 114.410 115.700 -0.223 0.000 2.593 1010 S HA 0.180 4.665 4.470 0.025 0.000 0.236 1010 S C 1.416 175.920 174.600 -0.161 0.000 0.991 1010 S CA 0.123 58.007 58.200 -0.526 0.000 0.963 1010 S CB 0.839 63.625 63.200 -0.691 0.000 0.865 1010 S HN 0.503 nan 8.310 nan 0.000 0.488 1011 A N 1.198 123.966 122.820 -0.087 0.000 2.235 1011 A HA 0.538 4.873 4.320 0.025 0.000 0.208 1011 A C 2.014 179.457 177.584 -0.233 0.000 1.172 1011 A CA 0.788 52.660 52.037 -0.274 0.000 0.786 1011 A CB -1.212 17.441 19.000 -0.578 0.000 0.804 1011 A HN 1.399 nan 8.150 nan 0.000 0.479 1012 G N -0.633 108.144 108.800 -0.038 0.000 2.779 1012 G HA2 -0.333 3.642 3.960 0.025 0.000 0.230 1012 G HA3 -0.333 3.642 3.960 0.025 0.000 0.230 1012 G C 0.490 175.403 174.900 0.022 0.000 1.243 1012 G CA 0.577 45.694 45.100 0.029 0.000 0.769 1012 G HN 0.676 nan 8.290 nan 0.000 0.516 1013 R N -0.327 120.067 120.500 -0.176 0.000 2.437 1013 R HA 0.690 5.045 4.340 0.025 0.000 0.310 1013 R C -1.395 174.662 176.300 -0.405 0.000 0.955 1013 R CA -0.563 55.462 56.100 -0.125 0.000 0.851 1013 R CB 1.377 31.646 30.300 -0.053 0.000 1.161 1013 R HN 0.285 nan 8.270 nan 0.000 0.446 1014 Y N 0.376 120.660 120.300 -0.026 0.000 2.499 1014 Y HA 0.351 4.916 4.550 0.024 0.000 0.347 1014 Y C -0.358 175.690 175.900 0.247 0.000 0.987 1014 Y CA -0.797 57.257 58.100 -0.077 0.000 1.044 1014 Y CB 2.142 40.432 38.460 -0.283 0.000 1.245 1014 Y HN 0.568 nan 8.280 nan 0.000 0.461 1015 H N 2.735 122.083 119.070 0.463 0.000 2.679 1015 H HA 0.570 5.140 4.556 0.025 0.000 0.360 1015 H C -1.720 174.019 175.328 0.685 0.000 1.105 1015 H CA -0.910 55.407 56.048 0.449 0.000 1.196 1015 H CB 1.111 31.023 29.762 0.250 0.000 1.636 1015 H HN 0.580 nan 8.280 nan 0.000 0.531 1016 Y N 1.801 121.989 120.300 -0.188 0.000 2.597 1016 Y HA 0.429 4.994 4.550 0.025 0.000 0.340 1016 Y C -1.837 173.877 175.900 -0.310 0.000 1.097 1016 Y CA -1.151 56.863 58.100 -0.144 0.000 1.037 1016 Y CB 1.519 39.958 38.460 -0.036 0.000 1.305 1016 Y HN 0.711 nan 8.280 nan 0.000 0.463 1017 Q N 3.448 123.238 119.800 -0.017 0.000 2.305 1017 Q HA 0.701 5.056 4.340 0.025 0.000 0.271 1017 Q C -2.271 173.805 176.000 0.128 0.000 1.046 1017 Q CA -0.870 54.919 55.803 -0.022 0.000 0.798 1017 Q CB 2.786 31.523 28.738 -0.002 0.000 1.286 1017 Q HN 0.926 nan 8.270 nan 0.000 0.435 1018 L N 1.815 123.092 121.223 0.090 0.000 2.354 1018 L HA 0.771 5.125 4.340 0.025 0.000 0.269 1018 L C -0.731 176.244 176.870 0.174 0.000 1.005 1018 L CA -1.355 53.572 54.840 0.145 0.000 0.819 1018 L CB 2.315 44.435 42.059 0.103 0.000 1.311 1018 L HN 0.448 nan 8.230 nan 0.000 0.423 1019 V N 0.979 121.025 119.914 0.221 0.000 2.487 1019 V HA 0.431 4.566 4.120 0.025 0.000 0.298 1019 V C -1.241 175.028 176.094 0.290 0.000 1.028 1019 V CA -0.403 62.038 62.300 0.236 0.000 0.860 1019 V CB 2.239 34.177 31.823 0.192 0.000 0.991 1019 V HN 0.622 nan 8.190 nan 0.000 0.427 1020 W N 6.812 128.175 121.300 0.104 0.000 2.532 1020 W HA 0.735 5.410 4.660 0.025 0.000 0.321 1020 W C -0.403 176.126 176.519 0.017 0.000 1.037 1020 W CA -1.086 56.257 57.345 -0.003 0.000 1.220 1020 W CB 1.567 31.076 29.460 0.082 0.000 1.361 1020 W HN 0.878 nan 8.180 nan 0.000 0.468 1021 C N 3.559 123.168 119.300 0.516 0.000 3.332 1021 C HA 0.585 5.059 4.460 0.025 0.000 0.329 1021 C C -0.557 174.565 174.990 0.220 0.000 1.434 1021 C CA -0.858 58.352 59.018 0.320 0.000 1.314 1021 C CB 1.617 29.471 27.740 0.189 0.000 1.664 1021 C HN 0.700 nan 8.230 nan 0.000 0.457 1022 Q N 1.308 121.177 119.800 0.116 0.000 2.259 1022 Q HA 0.365 4.719 4.340 0.025 0.000 0.246 1022 Q C -0.120 175.869 176.000 -0.018 0.000 0.920 1022 Q CA -0.138 55.669 55.803 0.006 0.000 0.895 1022 Q CB 1.040 29.760 28.738 -0.029 0.000 1.220 1022 Q HN 0.629 nan 8.270 nan 0.000 0.439 1023 K N 0.000 120.358 120.400 -0.069 0.000 2.780 1023 K HA 0.000 4.335 4.320 0.025 0.000 0.191 1023 K CA 0.000 56.258 56.287 -0.049 0.000 0.838 1023 K CB 0.000 32.460 32.500 -0.067 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543