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 3i3b_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 LILCEYAHAA 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 0.000 176.084 176.300 -0.361 0.000 0.893 13 R CA 0.000 55.966 56.100 -0.223 0.000 0.921 13 R CB 0.000 30.176 30.300 -0.206 0.000 0.687 14 R N 1.731 121.893 120.500 -0.563 0.000 3.022 14 R HA -0.177 4.180 4.340 0.028 0.000 0.248 14 R C -0.342 175.395 176.300 -0.938 0.000 0.874 14 R CA 0.747 56.057 56.100 -1.317 0.000 0.626 14 R CB -1.179 28.522 30.300 -1.000 0.000 1.255 14 R HN 0.289 nan 8.270 nan 0.000 0.496 15 D N 0.034 120.096 120.400 -0.562 0.000 2.309 15 D HA -0.159 4.498 4.640 0.028 0.000 0.212 15 D C 1.585 177.808 176.300 -0.129 0.000 0.968 15 D CA 1.554 55.324 54.000 -0.384 0.000 0.882 15 D CB -0.061 40.322 40.800 -0.696 0.000 0.918 15 D HN 0.735 nan 8.370 nan 0.000 0.503 16 W N 1.246 122.567 121.300 0.036 0.000 3.292 16 W HA 0.206 4.883 4.660 0.027 0.000 0.263 16 W C 0.463 177.085 176.519 0.172 0.000 1.318 16 W CA -0.261 57.215 57.345 0.220 0.000 1.663 16 W CB -0.167 29.465 29.460 0.287 0.000 1.114 16 W HN -0.207 nan 8.180 nan 0.000 0.706 17 E N 1.287 121.378 120.200 -0.181 0.000 3.575 17 E HA 0.053 4.419 4.350 0.028 0.000 0.201 17 E C -0.795 175.670 176.600 -0.226 0.000 0.999 17 E CA -0.217 56.100 56.400 -0.138 0.000 1.315 17 E CB -0.176 29.432 29.700 -0.155 0.000 1.146 17 E HN 0.041 nan 8.360 nan 0.000 0.453 18 N N 1.151 119.746 118.700 -0.176 0.000 2.629 18 N HA 0.111 4.867 4.740 0.028 0.000 0.277 18 N C -2.335 173.027 175.510 -0.246 0.000 1.188 18 N CA -1.786 51.119 53.050 -0.241 0.000 0.835 18 N CB 1.471 39.829 38.487 -0.215 0.000 1.420 18 N HN -0.161 nan 8.380 nan 0.000 0.542 19 P HA 0.032 nan 4.420 nan 0.000 0.231 19 P C 1.054 178.110 177.300 -0.407 0.000 1.158 19 P CA 0.610 63.359 63.100 -0.584 0.000 0.763 19 P CB 0.144 30.961 31.700 -1.472 0.000 0.805 20 G N -0.256 108.349 108.800 -0.324 0.000 2.650 20 G HA2 0.040 4.017 3.960 0.028 0.000 0.214 20 G HA3 0.040 4.017 3.960 0.028 0.000 0.214 20 G C 0.408 175.228 174.900 -0.134 0.000 1.136 20 G CA 0.186 45.151 45.100 -0.224 0.000 0.789 20 G HN 0.222 nan 8.290 nan 0.000 0.536 21 V N 1.627 121.481 119.914 -0.101 0.000 2.325 21 V HA 0.275 4.412 4.120 0.028 0.000 0.280 21 V C 0.809 176.960 176.094 0.095 0.000 1.016 21 V CA 0.081 62.374 62.300 -0.011 0.000 0.818 21 V CB 1.223 33.024 31.823 -0.036 0.000 1.019 21 V HN 0.320 nan 8.190 nan 0.000 0.434 22 T N 0.523 115.123 114.554 0.076 0.000 3.069 22 T HA 0.378 4.745 4.350 0.028 0.000 0.252 22 T C 0.239 174.976 174.700 0.062 0.000 1.053 22 T CA 0.079 62.226 62.100 0.079 0.000 0.964 22 T CB 0.236 69.106 68.868 0.003 0.000 1.005 22 T HN 0.713 nan 8.240 nan 0.000 0.532 23 Q N 0.191 120.082 119.800 0.151 0.000 2.791 23 Q HA 0.598 4.955 4.340 0.028 0.000 0.280 23 Q C -2.382 173.744 176.000 0.210 0.000 0.928 23 Q CA -0.954 54.927 55.803 0.130 0.000 0.819 23 Q CB 0.486 29.214 28.738 -0.016 0.000 1.552 23 Q HN 0.225 nan 8.270 nan 0.000 0.410 24 L N 2.121 123.497 121.223 0.255 0.000 2.439 24 L HA 0.615 4.972 4.340 0.028 0.000 0.270 24 L C -0.575 176.417 176.870 0.203 0.000 0.972 24 L CA -0.840 54.156 54.840 0.261 0.000 0.836 24 L CB 1.800 44.126 42.059 0.444 0.000 1.255 24 L HN 0.861 nan 8.230 nan 0.000 0.404 25 N N 1.171 119.956 118.700 0.142 0.000 2.776 25 N HA -0.196 4.560 4.740 0.028 0.000 0.250 25 N C 0.113 175.685 175.510 0.103 0.000 1.112 25 N CA 0.757 53.878 53.050 0.117 0.000 0.733 25 N CB -0.725 37.797 38.487 0.058 0.000 1.097 25 N HN 0.649 nan 8.380 nan 0.000 0.558 26 R N 0.855 121.330 120.500 -0.041 0.000 2.390 26 R HA 0.420 4.776 4.340 0.028 0.000 0.291 26 R C 0.517 176.678 176.300 -0.232 0.000 1.070 26 R CA -0.395 55.478 56.100 -0.379 0.000 1.014 26 R CB 0.597 30.667 30.300 -0.384 0.000 1.007 26 R HN 0.118 nan 8.270 nan 0.000 0.466 27 L N 3.058 124.122 121.223 -0.265 0.000 2.464 27 L HA 0.286 4.643 4.340 0.028 0.000 0.264 27 L C 0.708 177.531 176.870 -0.078 0.000 1.199 27 L CA -0.490 54.287 54.840 -0.105 0.000 0.818 27 L CB 0.801 42.831 42.059 -0.049 0.000 1.102 27 L HN 0.764 nan 8.230 nan 0.000 0.473 28 A N 1.540 124.355 122.820 -0.009 0.000 2.507 28 A HA 0.461 4.798 4.320 0.028 0.000 0.235 28 A C 0.344 177.937 177.584 0.016 0.000 1.070 28 A CA 0.088 52.128 52.037 0.005 0.000 0.768 28 A CB 0.116 19.142 19.000 0.042 0.000 1.011 28 A HN 0.806 nan 8.150 nan 0.000 0.502 29 A N 1.183 123.968 122.820 -0.059 0.000 2.332 29 A HA 0.689 5.025 4.320 0.028 0.000 0.258 29 A C 0.107 177.604 177.584 -0.144 0.000 1.087 29 A CA 0.518 52.445 52.037 -0.183 0.000 0.802 29 A CB -0.038 18.858 19.000 -0.174 0.000 1.042 29 A HN 2.012 nan 8.150 nan 0.000 0.489 30 H N -2.644 116.285 119.070 -0.235 0.000 2.904 30 H HA 0.595 5.167 4.556 0.028 0.000 0.290 30 H C -3.450 171.593 175.328 -0.474 0.000 1.437 30 H CA -1.714 54.131 56.048 -0.338 0.000 1.147 30 H CB -0.087 29.393 29.762 -0.469 0.000 1.824 30 H HN 0.374 nan 8.280 nan 0.000 0.505 31 P HA 0.195 nan 4.420 nan 0.000 0.272 31 P C -2.571 174.538 177.300 -0.319 0.000 1.240 31 P CA -1.192 61.694 63.100 -0.358 0.000 0.791 31 P CB -0.102 31.309 31.700 -0.482 0.000 0.978 32 P HA 0.025 nan 4.420 nan 0.000 0.260 32 P C -0.877 176.594 177.300 0.284 0.000 1.185 32 P CA 1.013 64.133 63.100 0.034 0.000 0.763 32 P CB -0.107 31.659 31.700 0.110 0.000 0.776 33 F N 2.088 122.135 119.950 0.161 0.000 2.507 33 F HA 0.617 5.161 4.527 0.028 0.000 0.327 33 F C 1.041 176.768 175.800 -0.122 0.000 1.068 33 F CA -1.369 56.665 58.000 0.056 0.000 0.965 33 F CB 1.248 40.247 39.000 -0.003 0.000 1.192 33 F HN 0.296 nan 8.300 nan 0.000 0.476 34 A N 0.267 123.004 122.820 -0.139 0.000 2.530 34 A HA 0.313 4.649 4.320 0.028 0.000 0.214 34 A C 0.679 177.952 177.584 -0.517 0.000 1.352 34 A CA 0.619 52.340 52.037 -0.527 0.000 1.035 34 A CB -0.342 17.868 19.000 -1.316 0.000 1.296 34 A HN 0.866 nan 8.150 nan 0.000 0.563 35 S N 0.452 115.954 115.700 -0.330 0.000 3.524 35 S HA -0.146 4.341 4.470 0.028 0.000 0.377 35 S C -0.058 174.466 174.600 -0.127 0.000 0.949 35 S CA 0.402 58.478 58.200 -0.205 0.000 1.264 35 S CB -1.634 61.454 63.200 -0.187 0.000 0.918 35 S HN 0.453 nan 8.310 nan 0.000 0.517 36 W N 1.950 123.233 121.300 -0.029 0.000 2.158 36 W HA 0.254 4.930 4.660 0.027 0.000 0.339 36 W C 1.317 177.816 176.519 -0.034 0.000 1.294 36 W CA -0.528 56.804 57.345 -0.021 0.000 1.231 36 W CB 0.243 29.692 29.460 -0.020 0.000 1.143 36 W HN 0.357 nan 8.180 nan 0.000 0.571 37 R N 2.076 122.703 120.500 0.212 0.000 2.613 37 R HA 0.106 4.463 4.340 0.028 0.000 0.361 37 R C -0.170 176.185 176.300 0.091 0.000 1.072 37 R CA -0.178 55.986 56.100 0.107 0.000 1.089 37 R CB -0.238 30.096 30.300 0.055 0.000 1.343 37 R HN 0.375 nan 8.270 nan 0.000 0.571 38 N N -0.101 118.667 118.700 0.114 0.000 2.503 38 N HA 0.098 4.854 4.740 0.028 0.000 0.287 38 N C -0.195 175.284 175.510 -0.052 0.000 1.096 38 N CA 0.028 53.094 53.050 0.028 0.000 0.936 38 N CB 1.767 40.271 38.487 0.029 0.000 1.570 38 N HN -0.242 nan 8.380 nan 0.000 0.504 39 S N 2.178 117.826 115.700 -0.087 0.000 2.383 39 S HA -0.150 4.336 4.470 0.028 0.000 0.227 39 S C 1.436 175.860 174.600 -0.294 0.000 1.026 39 S CA 1.054 59.157 58.200 -0.163 0.000 0.981 39 S CB -0.043 63.097 63.200 -0.100 0.000 0.818 39 S HN 0.747 nan 8.310 nan 0.000 0.472 40 E N 1.972 122.021 120.200 -0.251 0.000 2.085 40 E HA -0.194 4.173 4.350 0.028 0.000 0.194 40 E C 1.758 178.133 176.600 -0.374 0.000 0.994 40 E CA 1.565 57.781 56.400 -0.307 0.000 0.801 40 E CB -0.304 29.273 29.700 -0.204 0.000 0.743 40 E HN 0.622 nan 8.360 nan 0.000 0.453 41 E N -0.370 119.615 120.200 -0.359 0.000 2.150 41 E HA -0.107 4.260 4.350 0.028 0.000 0.193 41 E C 1.976 177.959 176.600 -1.028 0.000 0.985 41 E CA 0.806 56.937 56.400 -0.448 0.000 0.814 41 E CB -0.149 29.429 29.700 -0.203 0.000 0.752 41 E HN 0.386 nan 8.360 nan 0.000 0.466 42 A N 1.641 123.695 122.820 -1.277 0.000 1.968 42 A HA -0.141 4.196 4.320 0.028 0.000 0.217 42 A C 2.114 179.114 177.584 -0.972 0.000 1.169 42 A CA 1.078 52.046 52.037 -1.781 0.000 0.638 42 A CB -0.322 18.147 19.000 -0.884 0.000 0.812 42 A HN 0.056 nan 8.150 nan 0.000 0.446 43 R N -0.027 120.070 120.500 -0.671 0.000 2.075 43 R HA -0.113 4.244 4.340 0.028 0.000 0.232 43 R C 1.975 178.014 176.300 -0.435 0.000 1.126 43 R CA 2.001 57.760 56.100 -0.569 0.000 0.963 43 R CB -0.389 29.435 30.300 -0.792 0.000 0.858 43 R HN 0.586 nan 8.270 nan 0.000 0.435 44 T N -2.634 111.677 114.554 -0.406 0.000 3.129 44 T HA 0.026 4.393 4.350 0.028 0.000 0.251 44 T C 0.288 174.890 174.700 -0.162 0.000 1.117 44 T CA 0.537 62.490 62.100 -0.246 0.000 1.034 44 T CB -0.002 68.747 68.868 -0.199 0.000 0.968 44 T HN 0.387 nan 8.240 nan 0.000 0.526 45 D N 0.734 120.989 120.400 -0.240 0.000 2.772 45 D HA -0.166 4.491 4.640 0.028 0.000 0.233 45 D C 0.002 176.410 176.300 0.179 0.000 1.143 45 D CA 0.453 54.459 54.000 0.010 0.000 0.700 45 D CB -1.240 39.620 40.800 0.101 0.000 1.076 45 D HN 0.603 nan 8.370 nan 0.000 0.430 46 R N 0.083 120.649 120.500 0.109 0.000 2.577 46 R HA 0.507 4.864 4.340 0.028 0.000 0.269 46 R C -2.054 174.486 176.300 0.400 0.000 1.084 46 R CA -1.397 54.816 56.100 0.188 0.000 1.163 46 R CB 0.329 30.677 30.300 0.080 0.000 1.100 46 R HN 0.068 nan 8.270 nan 0.000 0.547 47 P HA -0.087 nan 4.420 nan 0.000 0.266 47 P C -0.924 176.547 177.300 0.284 0.000 1.193 47 P CA 0.429 63.670 63.100 0.235 0.000 0.770 47 P CB 0.669 32.458 31.700 0.148 0.000 0.836 48 S N 1.451 117.220 115.700 0.116 0.000 2.473 48 S HA 0.141 4.628 4.470 0.028 0.000 0.307 48 S C 0.876 175.501 174.600 0.041 0.000 1.094 48 S CA -0.561 57.640 58.200 0.003 0.000 1.070 48 S CB 0.568 63.457 63.200 -0.518 0.000 1.019 48 S HN 0.229 nan 8.310 nan 0.000 0.480 49 Q N 2.680 122.538 119.800 0.095 0.000 2.364 49 Q HA -0.050 4.307 4.340 0.028 0.000 0.207 49 Q C 0.967 177.087 176.000 0.201 0.000 0.970 49 Q CA 1.267 57.157 55.803 0.145 0.000 0.888 49 Q CB -0.099 28.725 28.738 0.143 0.000 0.951 49 Q HN 0.701 nan 8.270 nan 0.000 0.469 50 Q N -0.383 119.448 119.800 0.050 0.000 2.403 50 Q HA 0.094 4.450 4.340 0.028 0.000 0.203 50 Q C -0.200 175.829 176.000 0.048 0.000 0.932 50 Q CA 0.160 55.927 55.803 -0.061 0.000 0.945 50 Q CB 0.341 28.964 28.738 -0.192 0.000 1.045 50 Q HN 0.038 nan 8.270 nan 0.000 0.511 51 L N 0.890 122.169 121.223 0.094 0.000 2.353 51 L HA 0.403 4.760 4.340 0.028 0.000 0.270 51 L C -1.104 175.857 176.870 0.152 0.000 1.003 51 L CA -0.329 54.571 54.840 0.100 0.000 0.862 51 L CB 0.849 42.885 42.059 -0.038 0.000 1.221 51 L HN -0.122 nan 8.230 nan 0.000 0.430 52 R N 2.263 122.896 120.500 0.221 0.000 2.474 52 R HA 0.566 4.923 4.340 0.028 0.000 0.295 52 R C -0.320 176.009 176.300 0.049 0.000 0.980 52 R CA -0.558 55.614 56.100 0.119 0.000 0.934 52 R CB 1.810 32.146 30.300 0.060 0.000 1.101 52 R HN 0.640 nan 8.270 nan 0.000 0.469 53 S N 2.247 117.964 115.700 0.028 0.000 2.554 53 S HA 0.286 4.773 4.470 0.028 0.000 0.278 53 S C 0.564 175.163 174.600 -0.002 0.000 1.242 53 S CA -0.665 57.541 58.200 0.011 0.000 1.051 53 S CB 0.578 63.795 63.200 0.028 0.000 0.986 53 S HN 0.573 nan 8.310 nan 0.000 0.502 54 L N 3.385 124.607 121.223 -0.003 0.000 2.857 54 L HA 0.308 4.665 4.340 0.028 0.000 0.249 54 L C 0.020 177.037 176.870 0.244 0.000 1.172 54 L CA -0.363 54.495 54.840 0.031 0.000 0.980 54 L CB -0.230 41.785 42.059 -0.073 0.000 1.299 54 L HN 0.523 nan 8.230 nan 0.000 0.535 55 N N 1.271 120.062 118.700 0.152 0.000 2.479 55 N HA 0.488 5.244 4.740 0.028 0.000 0.257 55 N C 0.651 176.288 175.510 0.212 0.000 1.232 55 N CA 0.954 54.100 53.050 0.160 0.000 0.920 55 N CB 1.322 39.837 38.487 0.047 0.000 1.105 55 N HN 0.299 nan 8.380 nan 0.000 0.444 56 G N 0.456 109.400 108.800 0.241 0.000 2.288 56 G HA2 -0.070 3.906 3.960 0.028 0.000 0.227 56 G HA3 -0.070 3.906 3.960 0.028 0.000 0.227 56 G C -1.577 173.531 174.900 0.347 0.000 1.339 56 G CA -0.788 44.449 45.100 0.229 0.000 1.057 56 G HN 0.465 nan 8.290 nan 0.000 0.470 57 E N 0.015 120.396 120.200 0.301 0.000 2.229 57 E HA 0.474 4.841 4.350 0.028 0.000 0.283 57 E C -1.010 175.856 176.600 0.444 0.000 1.030 57 E CA -0.134 56.457 56.400 0.319 0.000 0.836 57 E CB 1.157 30.963 29.700 0.177 0.000 1.068 57 E HN 0.357 nan 8.360 nan 0.000 0.401 58 W N 1.462 122.856 121.300 0.156 0.000 2.894 58 W HA 0.400 5.077 4.660 0.028 0.000 0.345 58 W C 0.033 176.683 176.519 0.218 0.000 1.152 58 W CA -0.756 56.714 57.345 0.208 0.000 1.089 58 W CB 0.841 30.483 29.460 0.303 0.000 1.454 58 W HN 0.170 nan 8.180 nan 0.000 0.589 59 R N 1.607 122.399 120.500 0.487 0.000 2.346 59 R HA 0.554 4.911 4.340 0.028 0.000 0.311 59 R C -1.493 175.056 176.300 0.415 0.000 0.983 59 R CA -0.844 55.471 56.100 0.358 0.000 0.880 59 R CB 1.155 31.613 30.300 0.263 0.000 1.100 59 R HN 0.465 nan 8.270 nan 0.000 0.453 60 F N 0.727 120.713 119.950 0.060 0.000 2.578 60 F HA 0.671 5.214 4.527 0.028 0.000 0.311 60 F C -1.427 174.192 175.800 -0.302 0.000 1.094 60 F CA -0.631 57.245 58.000 -0.206 0.000 0.923 60 F CB 2.046 40.827 39.000 -0.366 0.000 1.230 60 F HN 0.609 nan 8.300 nan 0.000 0.450 61 A N 4.382 126.412 122.820 -1.317 0.000 2.455 61 A HA 0.556 4.892 4.320 0.028 0.000 0.300 61 A C -2.422 174.172 177.584 -1.650 0.000 1.040 61 A CA -0.511 50.843 52.037 -1.137 0.000 0.697 61 A CB 0.695 19.299 19.000 -0.660 0.000 1.265 61 A HN 0.937 nan 8.150 nan 0.000 0.407 62 W N 2.574 122.972 121.300 -1.502 0.000 2.469 62 W HA 0.755 5.432 4.660 0.027 0.000 0.320 62 W C -1.827 173.983 176.519 -1.181 0.000 1.086 62 W CA -0.332 56.272 57.345 -1.235 0.000 1.211 62 W CB 1.069 30.076 29.460 -0.754 0.000 1.298 62 W HN 0.483 nan 8.180 nan 0.000 0.525 63 F N 6.515 125.730 119.950 -1.225 0.000 2.576 63 F HA 0.350 4.894 4.527 0.028 0.000 0.313 63 F C -1.216 173.695 175.800 -1.482 0.000 1.078 63 F CA -2.262 55.144 58.000 -0.990 0.000 0.921 63 F CB 1.940 40.531 39.000 -0.681 0.000 1.232 63 F HN 0.220 nan 8.300 nan 0.000 0.459 64 P HA 0.048 nan 4.420 nan 0.000 0.223 64 P C -0.231 176.914 177.300 -0.258 0.000 1.151 64 P CA 0.990 63.796 63.100 -0.490 0.000 0.787 64 P CB 0.783 32.464 31.700 -0.031 0.000 0.788 65 A N -0.481 122.209 122.820 -0.216 0.000 2.612 65 A HA 0.527 4.863 4.320 0.028 0.000 0.293 65 A C -2.402 175.070 177.584 -0.187 0.000 1.075 65 A CA -1.154 50.805 52.037 -0.132 0.000 0.680 65 A CB 0.647 19.633 19.000 -0.023 0.000 1.279 65 A HN -0.252 nan 8.150 nan 0.000 0.411 66 P HA -0.103 nan 4.420 nan 0.000 0.225 66 P C 0.519 177.720 177.300 -0.166 0.000 1.148 66 P CA 1.291 64.258 63.100 -0.222 0.000 0.779 66 P CB 0.330 31.861 31.700 -0.282 0.000 0.780 67 E N 0.188 120.337 120.200 -0.084 0.000 2.347 67 E HA 0.021 4.388 4.350 0.028 0.000 0.196 67 E C 2.018 178.535 176.600 -0.138 0.000 1.008 67 E CA 0.877 57.238 56.400 -0.064 0.000 0.852 67 E CB -0.751 28.949 29.700 0.000 0.000 0.783 67 E HN 0.245 nan 8.360 nan 0.000 0.505 68 A N 0.233 122.929 122.820 -0.207 0.000 2.238 68 A HA 0.110 4.446 4.320 0.028 0.000 0.210 68 A C 0.669 177.894 177.584 -0.599 0.000 1.179 68 A CA -0.166 51.725 52.037 -0.244 0.000 0.827 68 A CB 0.314 19.265 19.000 -0.083 0.000 0.856 68 A HN 0.037 nan 8.150 nan 0.000 0.488 69 V N 3.683 123.131 119.914 -0.776 0.000 2.439 69 V HA 0.165 4.302 4.120 0.028 0.000 0.271 69 V C -1.921 173.829 176.094 -0.573 0.000 1.040 69 V CA -1.324 60.314 62.300 -1.103 0.000 1.002 69 V CB 0.365 31.666 31.823 -0.871 0.000 1.000 69 V HN 0.396 nan 8.190 nan 0.000 0.477 70 P HA 0.109 nan 4.420 nan 0.000 0.271 70 P C 0.647 177.881 177.300 -0.109 0.000 1.216 70 P CA -0.178 62.802 63.100 -0.200 0.000 0.771 70 P CB 1.132 32.768 31.700 -0.107 0.000 0.864 71 E N 2.226 122.372 120.200 -0.089 0.000 2.209 71 E HA -0.198 4.168 4.350 0.028 0.000 0.196 71 E C 1.661 178.223 176.600 -0.063 0.000 0.993 71 E CA 1.580 57.932 56.400 -0.081 0.000 0.819 71 E CB 0.020 29.679 29.700 -0.068 0.000 0.745 71 E HN 0.554 nan 8.360 nan 0.000 0.477 72 S N -0.009 115.676 115.700 -0.026 0.000 2.383 72 S HA -0.220 4.267 4.470 0.028 0.000 0.229 72 S C 1.714 176.314 174.600 0.001 0.000 1.030 72 S CA 1.039 59.231 58.200 -0.013 0.000 1.002 72 S CB -0.938 62.270 63.200 0.012 0.000 0.829 72 S HN 0.625 nan 8.310 nan 0.000 0.467 73 W N 2.380 123.588 121.300 -0.153 0.000 2.350 73 W HA -0.007 4.669 4.660 0.027 0.000 0.289 73 W C 1.701 178.110 176.519 -0.184 0.000 1.215 73 W CA 1.038 58.293 57.345 -0.150 0.000 1.236 73 W CB -0.417 28.932 29.460 -0.185 0.000 1.130 73 W HN 0.280 nan 8.180 nan 0.000 0.541 74 L N 0.125 121.096 121.223 -0.419 0.000 2.131 74 L HA -0.180 4.176 4.340 0.028 0.000 0.210 74 L C 1.767 178.365 176.870 -0.452 0.000 1.092 74 L CA 1.787 56.220 54.840 -0.677 0.000 0.759 74 L CB -0.576 41.141 42.059 -0.570 0.000 0.903 74 L HN 0.079 nan 8.230 nan 0.000 0.435 75 E N -2.476 117.560 120.200 -0.273 0.000 2.601 75 E HA 0.110 4.476 4.350 0.028 0.000 0.219 75 E C -0.165 176.355 176.600 -0.133 0.000 0.964 75 E CA -0.193 56.105 56.400 -0.170 0.000 1.050 75 E CB 1.077 30.718 29.700 -0.098 0.000 1.068 75 E HN 0.252 nan 8.360 nan 0.000 0.496 76 C N 1.292 120.510 119.300 -0.136 0.000 2.782 76 C HA 0.270 4.747 4.460 0.028 0.000 0.328 76 C C -1.072 173.899 174.990 -0.032 0.000 1.145 76 C CA -0.947 58.030 59.018 -0.069 0.000 1.358 76 C CB 1.116 28.838 27.740 -0.030 0.000 1.841 76 C HN 0.315 nan 8.230 nan 0.000 0.477 77 D N 3.247 123.649 120.400 0.003 0.000 2.458 77 D HA 0.243 4.900 4.640 0.028 0.000 0.243 77 D C -0.206 176.166 176.300 0.121 0.000 1.146 77 D CA 0.378 54.426 54.000 0.080 0.000 0.877 77 D CB 0.628 41.467 40.800 0.066 0.000 1.176 77 D HN 0.570 nan 8.370 nan 0.000 0.461 78 L N 5.847 127.193 121.223 0.206 0.000 2.360 78 L HA 0.207 4.563 4.340 0.028 0.000 0.276 78 L C -1.337 175.593 176.870 0.101 0.000 1.121 78 L CA -1.429 53.506 54.840 0.159 0.000 0.845 78 L CB 1.033 43.205 42.059 0.188 0.000 1.143 78 L HN 0.519 nan 8.230 nan 0.000 0.452 79 P HA -0.174 nan 4.420 nan 0.000 0.220 79 P C 1.082 178.408 177.300 0.044 0.000 1.148 79 P CA 0.883 64.014 63.100 0.052 0.000 0.803 79 P CB 0.175 31.900 31.700 0.041 0.000 0.782 80 E N -0.394 119.827 120.200 0.036 0.000 2.347 80 E HA 0.027 4.394 4.350 0.028 0.000 0.196 80 E C 0.722 177.321 176.600 -0.000 0.000 1.008 80 E CA 0.035 56.442 56.400 0.012 0.000 0.852 80 E CB -0.480 29.215 29.700 -0.008 0.000 0.783 80 E HN 0.048 nan 8.360 nan 0.000 0.505 81 A N 1.516 124.343 122.820 0.012 0.000 2.425 81 A HA 0.114 4.450 4.320 0.028 0.000 0.242 81 A C -0.252 177.375 177.584 0.072 0.000 1.077 81 A CA -0.267 51.775 52.037 0.008 0.000 0.781 81 A CB 0.367 19.392 19.000 0.041 0.000 1.020 81 A HN 0.160 nan 8.150 nan 0.000 0.494 82 D N -0.063 120.409 120.400 0.120 0.000 2.384 82 D HA 0.491 5.148 4.640 0.028 0.000 0.250 82 D C -0.577 175.834 176.300 0.184 0.000 1.029 82 D CA 0.003 54.098 54.000 0.158 0.000 0.990 82 D CB 1.245 42.181 40.800 0.226 0.000 1.175 82 D HN 0.395 nan 8.370 nan 0.000 0.532 83 T N 0.521 115.168 114.554 0.155 0.000 2.749 83 T HA 0.491 4.857 4.350 0.028 0.000 0.287 83 T C 0.161 174.956 174.700 0.159 0.000 0.970 83 T CA -0.586 61.616 62.100 0.171 0.000 0.980 83 T CB 0.752 69.695 68.868 0.125 0.000 0.924 83 T HN 0.273 nan 8.240 nan 0.000 0.456 84 V N 1.300 121.344 119.914 0.217 0.000 3.126 84 V HA 0.821 4.958 4.120 0.028 0.000 0.314 84 V C -0.296 175.928 176.094 0.217 0.000 1.138 84 V CA -1.026 61.366 62.300 0.154 0.000 1.034 84 V CB 1.679 33.617 31.823 0.191 0.000 1.075 84 V HN 0.512 nan 8.190 nan 0.000 0.442 85 V N 1.739 121.756 119.914 0.172 0.000 2.607 85 V HA 0.597 4.734 4.120 0.028 0.000 0.289 85 V C -0.036 176.134 176.094 0.128 0.000 1.053 85 V CA -0.117 62.279 62.300 0.159 0.000 0.996 85 V CB 1.422 33.302 31.823 0.096 0.000 0.995 85 V HN 0.767 nan 8.190 nan 0.000 0.476 86 V N 6.290 126.197 119.914 -0.012 0.000 2.709 86 V HA 0.463 4.599 4.120 0.028 0.000 0.308 86 V C -2.306 173.673 176.094 -0.192 0.000 1.062 86 V CA -1.651 60.501 62.300 -0.247 0.000 0.901 86 V CB 2.674 33.980 31.823 -0.861 0.000 1.003 86 V HN 0.768 nan 8.190 nan 0.000 0.425 87 P HA 0.346 nan 4.420 nan 0.000 0.272 87 P C -0.733 176.485 177.300 -0.136 0.000 1.223 87 P CA 0.087 63.058 63.100 -0.214 0.000 0.784 87 P CB 1.329 32.916 31.700 -0.188 0.000 0.923 88 S N 0.111 115.737 115.700 -0.123 0.000 2.597 88 S HA 0.329 4.816 4.470 0.028 0.000 0.274 88 S C -1.320 173.189 174.600 -0.152 0.000 1.132 88 S CA -1.078 57.031 58.200 -0.151 0.000 0.835 88 S CB 0.169 63.232 63.200 -0.229 0.000 1.092 88 S HN 0.422 nan 8.310 nan 0.000 0.457 89 N N 1.007 119.567 118.700 -0.234 0.000 2.419 89 N HA 0.446 5.202 4.740 0.028 0.000 0.277 89 N C 0.586 175.923 175.510 -0.288 0.000 1.006 89 N CA -0.799 52.087 53.050 -0.274 0.000 0.923 89 N CB 0.662 38.958 38.487 -0.318 0.000 1.140 89 N HN 0.857 nan 8.380 nan 0.000 0.488 90 W N 2.348 123.510 121.300 -0.230 0.000 2.465 90 W HA -0.037 4.640 4.660 0.028 0.000 0.268 90 W C 0.984 177.466 176.519 -0.062 0.000 1.242 90 W CA 0.559 57.771 57.345 -0.221 0.000 1.248 90 W CB -0.346 29.019 29.460 -0.158 0.000 1.118 90 W HN 0.506 nan 8.180 nan 0.000 0.587 91 Q N 0.523 120.313 119.800 -0.016 0.000 2.167 91 Q HA -0.122 4.234 4.340 0.028 0.000 0.202 91 Q C 2.178 178.117 176.000 -0.102 0.000 0.970 91 Q CA 1.813 57.597 55.803 -0.031 0.000 0.855 91 Q CB -0.597 28.003 28.738 -0.229 0.000 0.911 91 Q HN 0.255 nan 8.270 nan 0.000 0.438 92 M N -0.847 118.653 119.600 -0.166 0.000 2.476 92 M HA -0.073 4.423 4.480 0.028 0.000 0.262 92 M C 0.882 177.209 176.300 0.045 0.000 1.079 92 M CA 1.465 56.687 55.300 -0.129 0.000 1.104 92 M CB -0.669 31.834 32.600 -0.162 0.000 1.409 92 M HN 0.391 nan 8.290 nan 0.000 0.467 93 H N -0.918 118.142 119.070 -0.016 0.000 2.539 93 H HA 0.258 4.830 4.556 0.028 0.000 0.269 93 H C 1.283 176.461 175.328 -0.249 0.000 0.980 93 H CA 0.131 56.134 56.048 -0.076 0.000 1.152 93 H CB 0.366 30.148 29.762 0.032 0.000 1.407 93 H HN 0.566 nan 8.280 nan 0.000 0.564 94 G N 0.511 109.281 108.800 -0.049 0.000 2.157 94 G HA2 -0.358 3.619 3.960 0.028 0.000 0.248 94 G HA3 -0.358 3.619 3.960 0.028 0.000 0.248 94 G C 0.372 175.125 174.900 -0.245 0.000 0.979 94 G CA 0.300 45.314 45.100 -0.143 0.000 0.650 94 G HN 0.429 nan 8.290 nan 0.000 0.529 95 Y N 1.685 121.978 120.300 -0.012 0.000 2.274 95 Y HA 0.229 4.796 4.550 0.028 0.000 0.290 95 Y C 1.712 177.329 175.900 -0.472 0.000 1.145 95 Y CA 1.779 59.736 58.100 -0.238 0.000 1.203 95 Y CB 0.128 38.510 38.460 -0.131 0.000 0.984 95 Y HN 0.690 nan 8.280 nan 0.000 0.533 96 D N -2.277 118.138 120.400 0.026 0.000 2.692 96 D HA 0.509 5.166 4.640 0.028 0.000 0.303 96 D C -1.201 175.163 176.300 0.106 0.000 1.278 96 D CA -0.826 53.190 54.000 0.027 0.000 0.852 96 D CB 0.759 41.695 40.800 0.226 0.000 1.375 96 D HN -0.041 nan 8.370 nan 0.000 0.453 97 A N 0.130 123.024 122.820 0.123 0.000 2.327 97 A HA 0.682 5.018 4.320 0.028 0.000 0.283 97 A C -2.281 175.332 177.584 0.049 0.000 1.127 97 A CA -1.189 50.907 52.037 0.098 0.000 0.810 97 A CB 0.136 19.257 19.000 0.201 0.000 1.066 97 A HN 0.549 nan 8.150 nan 0.000 0.492 98 P HA 0.412 nan 4.420 nan 0.000 0.278 98 P C -0.912 176.559 177.300 0.285 0.000 1.238 98 P CA 0.045 63.089 63.100 -0.094 0.000 0.794 98 P CB 0.943 32.306 31.700 -0.563 0.000 0.955 99 I N 2.648 123.471 120.570 0.421 0.000 2.433 99 I HA 0.259 4.446 4.170 0.028 0.000 0.292 99 I C -0.538 175.766 176.117 0.312 0.000 1.001 99 I CA -0.987 60.553 61.300 0.401 0.000 1.119 99 I CB 1.580 39.756 38.000 0.294 0.000 1.289 99 I HN 0.314 nan 8.210 nan 0.000 0.438 100 Y N 6.163 126.388 120.300 -0.125 0.000 2.402 100 Y HA 0.553 5.119 4.550 0.027 0.000 0.332 100 Y C -0.429 175.313 175.900 -0.264 0.000 0.960 100 Y CA -0.577 57.191 58.100 -0.553 0.000 1.228 100 Y CB 1.323 38.944 38.460 -1.397 0.000 1.120 100 Y HN 0.536 nan 8.280 nan 0.000 0.491 101 T N 5.254 119.261 114.554 -0.911 0.000 2.912 101 T HA 0.250 4.617 4.350 0.028 0.000 0.299 101 T C 0.125 174.393 174.700 -0.721 0.000 1.052 101 T CA -0.593 61.034 62.100 -0.787 0.000 0.996 101 T CB 1.133 69.784 68.868 -0.361 0.000 1.070 101 T HN 0.769 nan 8.240 nan 0.000 0.465 102 N N 2.757 121.093 118.700 -0.607 0.000 2.202 102 N HA 0.025 4.782 4.740 0.028 0.000 0.191 102 N C 1.552 176.858 175.510 -0.339 0.000 1.054 102 N CA 1.838 54.694 53.050 -0.324 0.000 0.877 102 N CB -0.642 37.718 38.487 -0.213 0.000 1.057 102 N HN 0.385 nan 8.380 nan 0.000 0.456 103 V N 0.055 119.698 119.914 -0.453 0.000 2.492 103 V HA 0.118 4.255 4.120 0.028 0.000 0.241 103 V C 0.375 176.181 176.094 -0.480 0.000 1.041 103 V CA 0.890 62.837 62.300 -0.588 0.000 1.057 103 V CB -0.720 30.634 31.823 -0.780 0.000 0.711 103 V HN 0.329 nan 8.190 nan 0.000 0.468 104 T N 1.409 115.743 114.554 -0.366 0.000 2.829 104 T HA 0.140 4.506 4.350 0.028 0.000 0.293 104 T C -0.332 174.235 174.700 -0.221 0.000 0.970 104 T CA 0.180 62.129 62.100 -0.251 0.000 1.168 104 T CB -0.349 68.407 68.868 -0.188 0.000 0.911 104 T HN 0.172 nan 8.240 nan 0.000 0.535 105 Y N 5.243 125.452 120.300 -0.153 0.000 2.702 105 Y HA 0.070 4.636 4.550 0.027 0.000 0.336 105 Y C -0.659 175.115 175.900 -0.211 0.000 1.235 105 Y CA -1.480 56.515 58.100 -0.174 0.000 1.492 105 Y CB 0.342 38.694 38.460 -0.179 0.000 1.308 105 Y HN 0.517 nan 8.280 nan 0.000 0.589 106 P HA -0.032 nan 4.420 nan 0.000 0.237 106 P C -0.202 176.900 177.300 -0.331 0.000 1.178 106 P CA 1.101 64.101 63.100 -0.166 0.000 0.766 106 P CB 0.085 31.731 31.700 -0.089 0.000 0.876 107 I N -4.789 115.536 120.570 -0.407 0.000 2.957 107 I HA 0.491 4.678 4.170 0.028 0.000 0.310 107 I C -0.508 175.475 176.117 -0.222 0.000 1.063 107 I CA -1.231 59.800 61.300 -0.448 0.000 1.033 107 I CB 1.625 39.186 38.000 -0.732 0.000 1.230 107 I HN -0.456 nan 8.210 nan 0.000 0.447 108 T N 2.924 117.392 114.554 -0.143 0.000 2.902 108 T HA 0.153 4.519 4.350 0.028 0.000 0.301 108 T C 0.227 174.915 174.700 -0.020 0.000 1.012 108 T CA -0.259 61.811 62.100 -0.049 0.000 1.151 108 T CB 0.561 69.424 68.868 -0.007 0.000 0.946 108 T HN 0.381 nan 8.240 nan 0.000 0.542 109 V N 5.082 125.000 119.914 0.006 0.000 2.364 109 V HA 0.192 4.329 4.120 0.028 0.000 0.252 109 V C 0.775 176.914 176.094 0.075 0.000 1.075 109 V CA -0.129 62.196 62.300 0.042 0.000 1.033 109 V CB -0.524 31.316 31.823 0.030 0.000 1.116 109 V HN 0.861 nan 8.190 nan 0.000 0.488 110 N N 5.827 124.622 118.700 0.159 0.000 2.666 110 N HA 0.217 4.973 4.740 0.028 0.000 0.253 110 N C -2.726 172.850 175.510 0.109 0.000 1.621 110 N CA -1.253 51.880 53.050 0.139 0.000 0.785 110 N CB 1.337 39.941 38.487 0.196 0.000 1.332 110 N HN 0.309 nan 8.380 nan 0.000 0.514 111 P HA 0.116 nan 4.420 nan 0.000 0.265 111 P C -2.181 174.901 177.300 -0.363 0.000 1.187 111 P CA -0.471 62.220 63.100 -0.682 0.000 0.766 111 P CB 0.693 31.825 31.700 -0.946 0.000 0.820 112 P HA 0.214 nan 4.420 nan 0.000 0.259 112 P C -0.470 176.749 177.300 -0.135 0.000 1.530 112 P CA -0.295 62.623 63.100 -0.302 0.000 1.022 112 P CB -0.002 31.503 31.700 -0.326 0.000 1.514 113 F N 1.314 121.383 119.950 0.198 0.000 2.389 113 F HA 0.306 4.850 4.527 0.028 0.000 0.337 113 F C 1.274 177.231 175.800 0.262 0.000 1.112 113 F CA -0.817 57.300 58.000 0.194 0.000 1.192 113 F CB 0.746 39.806 39.000 0.100 0.000 1.185 113 F HN -0.195 nan 8.300 nan 0.000 0.552 114 V N -0.475 119.697 119.914 0.431 0.000 3.074 114 V HA 0.728 4.865 4.120 0.028 0.000 0.314 114 V C -2.776 173.471 176.094 0.256 0.000 1.117 114 V CA -2.973 59.497 62.300 0.283 0.000 1.014 114 V CB 1.445 33.489 31.823 0.369 0.000 1.057 114 V HN 0.513 nan 8.190 nan 0.000 0.438 115 P HA 0.148 nan 4.420 nan 0.000 0.267 115 P C 1.089 178.530 177.300 0.234 0.000 1.201 115 P CA 0.703 63.900 63.100 0.161 0.000 0.775 115 P CB 0.470 32.247 31.700 0.127 0.000 0.854 116 T N -1.868 112.794 114.554 0.180 0.000 2.904 116 T HA -0.072 4.294 4.350 0.028 0.000 0.267 116 T C 0.500 175.306 174.700 0.177 0.000 1.059 116 T CA 0.752 62.962 62.100 0.183 0.000 1.137 116 T CB -0.509 68.431 68.868 0.121 0.000 0.879 116 T HN 0.383 nan 8.240 nan 0.000 0.467 117 E N 2.661 122.965 120.200 0.174 0.000 1.814 117 E HA 0.228 4.595 4.350 0.028 0.000 0.264 117 E C -0.671 176.077 176.600 0.246 0.000 1.179 117 E CA -0.402 56.102 56.400 0.173 0.000 0.972 117 E CB 0.046 29.853 29.700 0.179 0.000 1.077 117 E HN 0.242 nan 8.360 nan 0.000 0.417 118 N N 4.009 122.826 118.700 0.195 0.000 2.621 118 N HA 0.212 4.969 4.740 0.028 0.000 0.237 118 N C -2.779 172.749 175.510 0.030 0.000 0.997 118 N CA -2.569 50.621 53.050 0.234 0.000 0.918 118 N CB 0.962 39.577 38.487 0.213 0.000 1.122 118 N HN 0.033 nan 8.380 nan 0.000 0.510 119 P HA -0.046 nan 4.420 nan 0.000 0.257 119 P C -0.881 176.322 177.300 -0.161 0.000 1.162 119 P CA 0.727 63.783 63.100 -0.073 0.000 0.762 119 P CB 0.316 32.248 31.700 0.387 0.000 0.753 120 T N 3.139 117.344 114.554 -0.581 0.000 2.792 120 T HA 0.559 4.925 4.350 0.028 0.000 0.280 120 T C 0.343 174.544 174.700 -0.832 0.000 0.990 120 T CA -0.553 61.263 62.100 -0.472 0.000 0.960 120 T CB 1.523 70.155 68.868 -0.392 0.000 0.939 120 T HN 0.306 nan 8.240 nan 0.000 0.439 121 G N 1.091 109.501 108.800 -0.650 0.000 2.370 121 G HA2 0.479 4.455 3.960 0.028 0.000 0.317 121 G HA3 0.479 4.455 3.960 0.028 0.000 0.317 121 G C -0.288 174.367 174.900 -0.408 0.000 1.162 121 G CA -0.397 44.211 45.100 -0.821 0.000 0.922 121 G HN 0.869 nan 8.290 nan 0.000 0.454 122 C N 3.367 122.165 119.300 -0.837 0.000 2.203 122 C HA 0.441 4.918 4.460 0.028 0.000 0.325 122 C C -0.465 174.440 174.990 -0.142 0.000 1.156 122 C CA -1.023 57.629 59.018 -0.611 0.000 1.597 122 C CB -1.815 25.120 27.740 -1.341 0.000 2.148 122 C HN 0.622 nan 8.230 nan 0.000 0.472 123 Y N 1.954 122.522 120.300 0.448 0.000 2.352 123 Y HA 0.601 5.168 4.550 0.028 0.000 0.326 123 Y C 0.861 177.243 175.900 0.804 0.000 1.166 123 Y CA -0.128 58.376 58.100 0.674 0.000 1.182 123 Y CB 1.317 40.170 38.460 0.654 0.000 1.216 123 Y HN 0.669 nan 8.280 nan 0.000 0.474 124 S N 2.458 118.654 115.700 0.827 0.000 2.541 124 S HA 0.787 5.274 4.470 0.028 0.000 0.271 124 S C -1.900 172.787 174.600 0.145 0.000 1.133 124 S CA -0.803 57.657 58.200 0.434 0.000 0.876 124 S CB 2.029 65.406 63.200 0.295 0.000 1.105 124 S HN 0.590 nan 8.310 nan 0.000 0.470 125 L N 1.252 122.387 121.223 -0.146 0.000 2.505 125 L HA 0.692 5.048 4.340 0.028 0.000 0.266 125 L C -0.992 175.836 176.870 -0.069 0.000 0.954 125 L CA 0.118 54.715 54.840 -0.405 0.000 0.852 125 L CB 2.304 43.606 42.059 -1.261 0.000 1.282 125 L HN 0.904 nan 8.230 nan 0.000 0.403 126 T N 5.783 120.318 114.554 -0.031 0.000 2.749 126 T HA 0.698 5.064 4.350 0.028 0.000 0.287 126 T C -0.796 173.958 174.700 0.090 0.000 0.970 126 T CA 0.036 62.151 62.100 0.025 0.000 0.980 126 T CB 0.109 68.959 68.868 -0.030 0.000 0.924 126 T HN 0.414 nan 8.240 nan 0.000 0.456 127 F N 1.210 121.065 119.950 -0.158 0.000 2.643 127 F HA 0.766 5.309 4.527 0.028 0.000 0.314 127 F C -0.729 174.995 175.800 -0.127 0.000 1.096 127 F CA -1.893 56.015 58.000 -0.153 0.000 0.953 127 F CB 1.015 39.904 39.000 -0.185 0.000 1.345 127 F HN 0.342 nan 8.300 nan 0.000 0.468 128 N N -0.055 118.568 118.700 -0.128 0.000 2.489 128 N HA 0.715 5.472 4.740 0.028 0.000 0.284 128 N C -1.917 173.459 175.510 -0.223 0.000 1.158 128 N CA -0.424 52.494 53.050 -0.221 0.000 0.965 128 N CB 1.802 40.210 38.487 -0.132 0.000 1.195 128 N HN 0.629 nan 8.380 nan 0.000 0.506 129 V N 1.663 121.422 119.914 -0.259 0.000 2.711 129 V HA 0.212 4.349 4.120 0.028 0.000 0.304 129 V C -0.920 175.052 176.094 -0.203 0.000 1.097 129 V CA -0.899 61.247 62.300 -0.257 0.000 0.906 129 V CB 1.507 33.228 31.823 -0.170 0.000 1.015 129 V HN 0.805 nan 8.190 nan 0.000 0.427 130 D N 2.238 122.482 120.400 -0.260 0.000 2.345 130 D HA 0.214 4.871 4.640 0.028 0.000 0.247 130 D C 1.113 177.418 176.300 0.008 0.000 1.108 130 D CA -0.052 53.878 54.000 -0.116 0.000 0.894 130 D CB 1.571 42.309 40.800 -0.103 0.000 1.203 130 D HN 0.691 nan 8.370 nan 0.000 0.430 131 E N 1.562 121.778 120.200 0.025 0.000 2.219 131 E HA -0.220 4.146 4.350 0.028 0.000 0.198 131 E C 1.662 178.328 176.600 0.109 0.000 0.998 131 E CA 1.736 58.172 56.400 0.060 0.000 0.818 131 E CB -0.213 29.506 29.700 0.033 0.000 0.741 131 E HN 0.456 nan 8.360 nan 0.000 0.477 132 S N -1.067 114.708 115.700 0.125 0.000 2.400 132 S HA -0.178 4.309 4.470 0.028 0.000 0.232 132 S C 1.754 176.458 174.600 0.173 0.000 1.025 132 S CA 1.070 59.351 58.200 0.135 0.000 0.993 132 S CB -0.785 62.499 63.200 0.141 0.000 0.808 132 S HN 0.428 nan 8.310 nan 0.000 0.478 133 W N 1.485 122.741 121.300 -0.074 0.000 2.476 133 W HA 0.402 5.078 4.660 0.028 0.000 0.281 133 W C 2.050 178.643 176.519 0.124 0.000 1.230 133 W CA -0.101 57.209 57.345 -0.059 0.000 1.287 133 W CB -0.423 29.053 29.460 0.027 0.000 1.108 133 W HN 0.290 nan 8.180 nan 0.000 0.567 134 L N -0.589 120.816 121.223 0.303 0.000 2.354 134 L HA -0.012 4.345 4.340 0.028 0.000 0.212 134 L C 2.197 179.157 176.870 0.150 0.000 1.091 134 L CA 0.632 55.601 54.840 0.215 0.000 0.828 134 L CB -0.769 41.382 42.059 0.154 0.000 0.973 134 L HN -0.047 nan 8.230 nan 0.000 0.461 135 Q N 0.160 120.036 119.800 0.126 0.000 2.224 135 Q HA -0.091 4.265 4.340 0.028 0.000 0.203 135 Q C 0.343 176.397 176.000 0.089 0.000 0.970 135 Q CA 1.012 56.867 55.803 0.087 0.000 0.865 135 Q CB 0.267 29.046 28.738 0.067 0.000 0.922 135 Q HN 0.323 nan 8.270 nan 0.000 0.445 136 E N -1.946 118.329 120.200 0.125 0.000 2.413 136 E HA 0.469 4.836 4.350 0.028 0.000 0.277 136 E C -0.503 176.227 176.600 0.217 0.000 0.958 136 E CA 0.295 56.770 56.400 0.125 0.000 0.779 136 E CB 1.629 31.385 29.700 0.092 0.000 1.278 136 E HN 0.155 nan 8.360 nan 0.000 0.456 137 G N 1.587 110.448 108.800 0.101 0.000 2.697 137 G HA2 -0.275 3.701 3.960 0.028 0.000 0.240 137 G HA3 -0.275 3.701 3.960 0.028 0.000 0.240 137 G C -0.766 174.054 174.900 -0.133 0.000 1.346 137 G CA 0.158 45.224 45.100 -0.058 0.000 0.887 137 G HN 0.618 nan 8.290 nan 0.000 0.569 138 Q N -0.626 118.943 119.800 -0.385 0.000 2.337 138 Q HA 0.645 5.001 4.340 0.028 0.000 0.266 138 Q C -0.998 174.850 176.000 -0.254 0.000 1.023 138 Q CA -0.465 55.208 55.803 -0.217 0.000 0.829 138 Q CB 1.561 30.205 28.738 -0.157 0.000 1.306 138 Q HN 0.605 nan 8.270 nan 0.000 0.449 139 T N 4.814 119.389 114.554 0.034 0.000 2.791 139 T HA 0.471 4.838 4.350 0.028 0.000 0.288 139 T C -0.788 174.026 174.700 0.190 0.000 0.999 139 T CA -0.660 61.560 62.100 0.201 0.000 0.952 139 T CB 0.574 69.704 68.868 0.435 0.000 0.938 139 T HN 0.645 nan 8.240 nan 0.000 0.444 140 R N 2.948 123.548 120.500 0.167 0.000 2.803 140 R HA 0.788 5.145 4.340 0.028 0.000 0.276 140 R C -1.075 175.324 176.300 0.165 0.000 0.978 140 R CA -0.964 55.233 56.100 0.161 0.000 0.939 140 R CB 1.555 31.925 30.300 0.117 0.000 1.179 140 R HN 0.564 nan 8.270 nan 0.000 0.472 141 I N 2.419 123.089 120.570 0.167 0.000 2.525 141 I HA 0.470 4.656 4.170 0.028 0.000 0.301 141 I C -1.027 175.134 176.117 0.073 0.000 0.992 141 I CA -1.260 60.086 61.300 0.077 0.000 1.162 141 I CB 1.349 39.395 38.000 0.076 0.000 1.332 141 I HN 0.623 nan 8.210 nan 0.000 0.458 142 I N 6.839 127.339 120.570 -0.117 0.000 2.478 142 I HA 0.291 4.478 4.170 0.028 0.000 0.287 142 I C -1.422 174.524 176.117 -0.285 0.000 1.042 142 I CA -0.383 60.869 61.300 -0.080 0.000 1.067 142 I CB 1.674 39.644 38.000 -0.050 0.000 1.233 142 I HN 0.388 nan 8.210 nan 0.000 0.431 143 F N 4.375 124.307 119.950 -0.029 0.000 2.325 143 F HA 0.296 4.840 4.527 0.027 0.000 0.369 143 F C 1.240 176.926 175.800 -0.191 0.000 1.095 143 F CA -0.566 57.345 58.000 -0.149 0.000 1.082 143 F CB 0.849 39.712 39.000 -0.229 0.000 1.289 143 F HN 0.438 nan 8.300 nan 0.000 0.462 144 D N 2.301 122.619 120.400 -0.138 0.000 2.264 144 D HA 0.042 4.699 4.640 0.028 0.000 0.208 144 D C 1.012 177.135 176.300 -0.296 0.000 0.966 144 D CA 0.878 54.748 54.000 -0.217 0.000 0.864 144 D CB 0.416 41.030 40.800 -0.310 0.000 0.933 144 D HN 0.627 nan 8.370 nan 0.000 0.499 145 G N -0.294 108.277 108.800 -0.380 0.000 2.505 145 G HA2 0.433 4.409 3.960 0.028 0.000 0.292 145 G HA3 0.433 4.409 3.960 0.028 0.000 0.292 145 G C -1.432 173.229 174.900 -0.398 0.000 1.332 145 G CA -0.422 44.333 45.100 -0.575 0.000 1.286 145 G HN -0.055 nan 8.290 nan 0.000 0.606 146 V N 2.600 122.481 119.914 -0.055 0.000 2.525 146 V HA 0.516 4.652 4.120 0.028 0.000 0.299 146 V C -0.825 175.368 176.094 0.165 0.000 1.034 146 V CA -1.220 61.060 62.300 -0.035 0.000 0.863 146 V CB 1.963 33.522 31.823 -0.440 0.000 0.999 146 V HN 0.682 nan 8.190 nan 0.000 0.423 147 N N 2.438 121.212 118.700 0.123 0.000 2.444 147 N HA 0.338 5.094 4.740 0.028 0.000 0.262 147 N C 0.593 176.043 175.510 -0.099 0.000 0.974 147 N CA 0.195 53.218 53.050 -0.045 0.000 0.933 147 N CB 2.131 40.415 38.487 -0.339 0.000 1.137 147 N HN 0.744 nan 8.380 nan 0.000 0.498 148 S N 1.707 117.393 115.700 -0.024 0.000 2.559 148 S HA 0.556 5.043 4.470 0.028 0.000 0.226 148 S C 0.242 174.909 174.600 0.112 0.000 1.030 148 S CA -0.135 58.098 58.200 0.054 0.000 0.956 148 S CB 0.427 63.674 63.200 0.078 0.000 0.900 148 S HN 0.601 nan 8.310 nan 0.000 0.510 149 A N 1.000 123.899 122.820 0.131 0.000 2.594 149 A HA 0.800 5.136 4.320 0.028 0.000 0.295 149 A C -1.321 176.370 177.584 0.179 0.000 1.071 149 A CA -0.908 51.172 52.037 0.071 0.000 0.685 149 A CB 1.046 20.121 19.000 0.126 0.000 1.285 149 A HN 1.108 nan 8.150 nan 0.000 0.405 150 F N -0.547 119.263 119.950 -0.232 0.000 2.703 150 F HA 0.716 5.259 4.527 0.027 0.000 0.308 150 F C -1.310 174.431 175.800 -0.098 0.000 1.126 150 F CA -0.748 57.202 58.000 -0.084 0.000 0.959 150 F CB 1.032 39.956 39.000 -0.127 0.000 1.297 150 F HN 0.619 nan 8.300 nan 0.000 0.441 151 H N 2.148 121.339 119.070 0.202 0.000 2.492 151 H HA 0.678 5.251 4.556 0.028 0.000 0.345 151 H C -1.448 173.824 175.328 -0.093 0.000 1.136 151 H CA -0.707 55.343 56.048 0.004 0.000 1.202 151 H CB 2.499 32.284 29.762 0.038 0.000 1.524 151 H HN 0.790 nan 8.280 nan 0.000 0.506 152 L N 3.522 124.512 121.223 -0.388 0.000 2.341 152 L HA 0.392 4.749 4.340 0.028 0.000 0.278 152 L C -1.408 175.143 176.870 -0.532 0.000 1.005 152 L CA -0.469 54.176 54.840 -0.324 0.000 0.818 152 L CB 1.111 42.833 42.059 -0.562 0.000 1.259 152 L HN 0.503 nan 8.230 nan 0.000 0.418 153 W N 4.374 125.635 121.300 -0.065 0.000 2.864 153 W HA 0.587 5.264 4.660 0.028 0.000 0.343 153 W C -1.160 175.307 176.519 -0.086 0.000 1.109 153 W CA -0.775 56.526 57.345 -0.074 0.000 1.192 153 W CB 2.062 31.508 29.460 -0.024 0.000 1.426 153 W HN 0.553 nan 8.180 nan 0.000 0.529 154 C N 4.760 124.153 119.300 0.155 0.000 2.432 154 C HA 0.273 4.750 4.460 0.028 0.000 0.334 154 C C 0.116 175.232 174.990 0.210 0.000 1.155 154 C CA -0.398 58.706 59.018 0.144 0.000 1.335 154 C CB -0.707 27.060 27.740 0.045 0.000 1.964 154 C HN 0.799 nan 8.230 nan 0.000 0.444 155 N N 3.626 122.406 118.700 0.133 0.000 2.740 155 N HA -0.189 4.568 4.740 0.028 0.000 0.248 155 N C 1.001 176.573 175.510 0.103 0.000 1.062 155 N CA 1.974 55.075 53.050 0.085 0.000 0.704 155 N CB -1.258 37.283 38.487 0.089 0.000 0.968 155 N HN 1.832 nan 8.380 nan 0.000 0.547 156 G N -1.101 107.756 108.800 0.094 0.000 2.234 156 G HA2 -0.378 3.599 3.960 0.028 0.000 0.260 156 G HA3 -0.378 3.599 3.960 0.028 0.000 0.260 156 G C 0.159 175.232 174.900 0.289 0.000 0.987 156 G CA 0.716 45.872 45.100 0.094 0.000 0.625 156 G HN 0.570 nan 8.290 nan 0.000 0.532 157 R N -0.842 119.887 120.500 0.381 0.000 2.312 157 R HA 0.443 4.800 4.340 0.028 0.000 0.311 157 R C -0.066 176.548 176.300 0.523 0.000 1.004 157 R CA -0.822 55.571 56.100 0.488 0.000 0.902 157 R CB 0.979 31.579 30.300 0.500 0.000 1.073 157 R HN 0.243 nan 8.270 nan 0.000 0.457 158 W N 3.709 125.175 121.300 0.276 0.000 2.251 158 W HA 0.084 4.761 4.660 0.027 0.000 0.327 158 W C 0.011 176.426 176.519 -0.173 0.000 1.361 158 W CA 0.016 57.212 57.345 -0.249 0.000 1.234 158 W CB 0.656 29.972 29.460 -0.240 0.000 1.212 158 W HN 0.338 nan 8.180 nan 0.000 0.557 159 V N 5.227 124.368 119.914 -1.288 0.000 2.743 159 V HA 0.539 4.675 4.120 0.028 0.000 0.237 159 V C 1.029 176.157 176.094 -1.610 0.000 1.113 159 V CA 1.022 62.536 62.300 -1.310 0.000 1.141 159 V CB -0.376 30.735 31.823 -1.188 0.000 0.873 159 V HN 0.819 nan 8.190 nan 0.000 0.486 160 G N -1.803 105.887 108.800 -1.850 0.000 2.490 160 G HA2 0.491 4.468 3.960 0.028 0.000 0.308 160 G HA3 0.491 4.468 3.960 0.028 0.000 0.308 160 G C -2.431 172.102 174.900 -0.612 0.000 1.286 160 G CA -0.269 44.109 45.100 -1.202 0.000 0.825 160 G HN 0.002 nan 8.290 nan 0.000 0.479 161 Y N -0.589 119.502 120.300 -0.348 0.000 2.562 161 Y HA 0.708 5.275 4.550 0.028 0.000 0.345 161 Y C -0.106 175.564 175.900 -0.383 0.000 1.045 161 Y CA -0.112 57.696 58.100 -0.486 0.000 1.028 161 Y CB 2.266 40.557 38.460 -0.281 0.000 1.297 161 Y HN 1.235 nan 8.280 nan 0.000 0.463 162 G N 3.505 111.443 108.800 -1.436 0.000 2.742 162 G HA2 0.568 4.544 3.960 0.028 0.000 0.296 162 G HA3 0.568 4.544 3.960 0.028 0.000 0.296 162 G C -2.153 172.273 174.900 -0.790 0.000 1.436 162 G CA -0.800 43.770 45.100 -0.884 0.000 0.928 162 G HN 0.636 nan 8.290 nan 0.000 0.520 163 Q N -0.306 119.290 119.800 -0.340 0.000 2.668 163 Q HA 0.588 4.944 4.340 0.028 0.000 0.298 163 Q C -1.378 174.621 176.000 -0.000 0.000 1.071 163 Q CA -0.775 54.948 55.803 -0.133 0.000 0.789 163 Q CB 2.645 31.346 28.738 -0.062 0.000 1.497 163 Q HN 0.699 nan 8.270 nan 0.000 0.460 164 D N -0.286 120.150 120.400 0.061 0.000 4.531 164 D HA -0.096 4.561 4.640 0.028 0.000 0.229 164 D C -0.533 175.830 176.300 0.105 0.000 1.248 164 D CA 0.580 54.632 54.000 0.086 0.000 1.039 164 D CB -0.464 40.370 40.800 0.056 0.000 0.609 164 D HN 0.541 nan 8.370 nan 0.000 0.283 165 S N 3.499 119.275 115.700 0.126 0.000 2.474 165 S HA -0.063 4.423 4.470 0.028 0.000 0.235 165 S C 1.549 176.282 174.600 0.221 0.000 0.997 165 S CA 0.559 58.864 58.200 0.175 0.000 0.949 165 S CB 0.250 63.514 63.200 0.106 0.000 0.766 165 S HN 0.466 nan 8.310 nan 0.000 0.517 166 R N 0.312 120.897 120.500 0.141 0.000 2.509 166 R HA 0.436 4.793 4.340 0.028 0.000 0.300 166 R C -0.299 176.050 176.300 0.081 0.000 0.985 166 R CA 0.054 56.228 56.100 0.124 0.000 1.092 166 R CB -0.016 30.374 30.300 0.149 0.000 1.237 166 R HN 0.337 nan 8.270 nan 0.000 0.546 167 L N 1.639 122.886 121.223 0.039 0.000 2.371 167 L HA 0.514 4.871 4.340 0.028 0.000 0.262 167 L C -2.358 174.488 176.870 -0.040 0.000 1.006 167 L CA -2.257 52.578 54.840 -0.007 0.000 0.818 167 L CB 3.106 45.158 42.059 -0.012 0.000 1.354 167 L HN -0.195 nan 8.230 nan 0.000 0.415 168 P HA 0.128 nan 4.420 nan 0.000 0.275 168 P C -1.037 176.232 177.300 -0.052 0.000 1.227 168 P CA -0.291 62.765 63.100 -0.073 0.000 0.781 168 P CB 1.386 33.010 31.700 -0.127 0.000 0.906 169 S N 1.789 117.517 115.700 0.047 0.000 2.498 169 S HA 0.318 4.805 4.470 0.028 0.000 0.317 169 S C -0.406 174.175 174.600 -0.031 0.000 1.090 169 S CA -0.541 57.657 58.200 -0.003 0.000 1.089 169 S CB 0.870 64.244 63.200 0.291 0.000 0.997 169 S HN 0.387 nan 8.310 nan 0.000 0.470 170 E N 1.849 121.844 120.200 -0.342 0.000 2.212 170 E HA 0.604 4.970 4.350 0.028 0.000 0.268 170 E C -1.405 174.863 176.600 -0.553 0.000 0.902 170 E CA -0.549 55.721 56.400 -0.216 0.000 0.779 170 E CB 1.596 31.259 29.700 -0.061 0.000 1.172 170 E HN 0.429 nan 8.360 nan 0.000 0.409 171 F N 0.614 120.624 119.950 0.099 0.000 2.578 171 F HA 0.205 4.749 4.527 0.028 0.000 0.311 171 F C -0.086 175.739 175.800 0.042 0.000 1.094 171 F CA -1.109 56.912 58.000 0.035 0.000 0.923 171 F CB 1.588 40.577 39.000 -0.017 0.000 1.230 171 F HN 0.269 nan 8.300 nan 0.000 0.450 172 D N 2.975 123.502 120.400 0.211 0.000 2.325 172 D HA 0.244 4.901 4.640 0.028 0.000 0.251 172 D C 0.225 176.655 176.300 0.218 0.000 1.196 172 D CA 0.268 54.376 54.000 0.180 0.000 0.866 172 D CB 0.987 41.879 40.800 0.152 0.000 1.101 172 D HN 0.581 nan 8.370 nan 0.000 0.476 173 L N 2.758 124.117 121.223 0.227 0.000 2.728 173 L HA 0.060 4.417 4.340 0.028 0.000 0.238 173 L C 2.078 179.163 176.870 0.359 0.000 1.143 173 L CA -0.192 54.818 54.840 0.283 0.000 0.937 173 L CB 0.150 42.341 42.059 0.219 0.000 1.225 173 L HN 0.241 nan 8.230 nan 0.000 0.507 174 S N 1.275 117.141 115.700 0.277 0.000 2.387 174 S HA -0.221 4.266 4.470 0.028 0.000 0.230 174 S C 1.981 176.691 174.600 0.185 0.000 1.035 174 S CA 1.680 60.007 58.200 0.212 0.000 1.014 174 S CB -0.076 63.209 63.200 0.141 0.000 0.836 174 S HN 0.556 nan 8.310 nan 0.000 0.466 175 A N -0.677 122.259 122.820 0.194 0.000 2.275 175 A HA 0.420 4.757 4.320 0.028 0.000 0.212 175 A C 1.130 178.620 177.584 -0.157 0.000 1.201 175 A CA 0.077 52.104 52.037 -0.016 0.000 0.843 175 A CB -0.264 18.646 19.000 -0.149 0.000 0.873 175 A HN 0.462 nan 8.150 nan 0.000 0.492 176 F N -0.798 119.192 119.950 0.067 0.000 2.712 176 F HA 0.385 4.928 4.527 0.028 0.000 0.297 176 F C 0.680 176.513 175.800 0.056 0.000 1.114 176 F CA -0.282 57.756 58.000 0.062 0.000 1.305 176 F CB 0.030 39.071 39.000 0.069 0.000 1.086 176 F HN -0.042 nan 8.300 nan 0.000 0.599 177 L N 1.396 122.768 121.223 0.249 0.000 2.439 177 L HA 0.500 4.857 4.340 0.028 0.000 0.259 177 L C 0.175 177.085 176.870 0.066 0.000 1.129 177 L CA -0.585 54.338 54.840 0.138 0.000 0.803 177 L CB 1.052 43.207 42.059 0.161 0.000 1.161 177 L HN 0.073 nan 8.230 nan 0.000 0.462 178 R N 1.036 121.536 120.500 -0.000 0.000 2.774 178 R HA 0.792 5.148 4.340 0.028 0.000 0.272 178 R C -1.131 175.140 176.300 -0.048 0.000 1.000 178 R CA -0.942 55.149 56.100 -0.015 0.000 0.906 178 R CB 1.428 31.712 30.300 -0.027 0.000 1.227 178 R HN 0.534 nan 8.270 nan 0.000 0.468 179 A N 1.151 123.952 122.820 -0.031 0.000 2.498 179 A HA 0.499 4.836 4.320 0.028 0.000 0.239 179 A C 1.064 178.599 177.584 -0.081 0.000 1.068 179 A CA 1.077 53.087 52.037 -0.045 0.000 0.766 179 A CB -0.734 18.253 19.000 -0.022 0.000 1.003 179 A HN 1.414 nan 8.150 nan 0.000 0.497 180 G N 1.240 109.976 108.800 -0.107 0.000 2.481 180 G HA2 -0.113 3.863 3.960 0.028 0.000 0.230 180 G HA3 -0.113 3.863 3.960 0.028 0.000 0.230 180 G C -0.356 174.429 174.900 -0.191 0.000 1.210 180 G CA -0.058 44.968 45.100 -0.123 0.000 0.936 180 G HN 0.942 nan 8.290 nan 0.000 0.583 181 E N 1.968 122.061 120.200 -0.179 0.000 2.360 181 E HA 0.383 4.749 4.350 0.028 0.000 0.269 181 E C 0.168 176.586 176.600 -0.303 0.000 1.022 181 E CA 0.010 56.269 56.400 -0.235 0.000 0.887 181 E CB 0.675 30.283 29.700 -0.153 0.000 0.990 181 E HN 0.477 nan 8.360 nan 0.000 0.426 182 N N 1.899 120.300 118.700 -0.498 0.000 2.284 182 N HA 0.369 5.125 4.740 0.028 0.000 0.289 182 N C -0.818 174.463 175.510 -0.381 0.000 1.179 182 N CA -0.633 52.102 53.050 -0.525 0.000 0.774 182 N CB 2.835 40.782 38.487 -0.900 0.000 1.548 182 N HN 0.258 nan 8.380 nan 0.000 0.473 183 R N 1.727 122.161 120.500 -0.110 0.000 2.532 183 R HA 0.484 4.840 4.340 0.028 0.000 0.297 183 R C -1.167 175.210 176.300 0.129 0.000 0.984 183 R CA -0.481 55.639 56.100 0.033 0.000 0.884 183 R CB 1.039 31.314 30.300 -0.043 0.000 1.182 183 R HN 0.488 nan 8.270 nan 0.000 0.442 184 L N 2.730 124.071 121.223 0.197 0.000 2.399 184 L HA 0.778 5.135 4.340 0.028 0.000 0.265 184 L C -0.212 176.718 176.870 0.100 0.000 1.089 184 L CA -0.973 53.974 54.840 0.178 0.000 0.802 184 L CB 1.841 43.995 42.059 0.158 0.000 1.180 184 L HN 0.800 nan 8.230 nan 0.000 0.454 185 A N 2.117 125.025 122.820 0.147 0.000 2.414 185 A HA 0.677 5.014 4.320 0.028 0.000 0.286 185 A C -1.237 176.645 177.584 0.496 0.000 1.073 185 A CA -0.392 51.647 52.037 0.004 0.000 0.727 185 A CB 1.457 20.020 19.000 -0.728 0.000 1.215 185 A HN 0.332 nan 8.150 nan 0.000 0.430 186 V N 3.356 123.744 119.914 0.791 0.000 2.407 186 V HA 0.480 4.617 4.120 0.028 0.000 0.291 186 V C -0.023 176.605 176.094 0.889 0.000 1.018 186 V CA -0.287 62.471 62.300 0.763 0.000 0.842 186 V CB 1.589 33.688 31.823 0.459 0.000 0.996 186 V HN 0.952 nan 8.190 nan 0.000 0.426 187 M N 6.074 126.199 119.600 0.876 0.000 2.080 187 M HA 0.504 5.001 4.480 0.028 0.000 0.350 187 M C -1.278 175.285 176.300 0.438 0.000 1.143 187 M CA -0.354 55.279 55.300 0.556 0.000 1.064 187 M CB 0.915 33.870 32.600 0.591 0.000 1.429 187 M HN 0.484 nan 8.290 nan 0.000 0.418 188 V N 6.666 126.812 119.914 0.387 0.000 2.407 188 V HA 0.359 4.495 4.120 0.028 0.000 0.278 188 V C 0.041 176.310 176.094 0.291 0.000 1.037 188 V CA -0.596 61.932 62.300 0.380 0.000 0.900 188 V CB 1.289 33.411 31.823 0.499 0.000 0.983 188 V HN 0.781 nan 8.190 nan 0.000 0.459 189 L N 4.946 126.272 121.223 0.171 0.000 2.289 189 L HA 0.511 4.868 4.340 0.028 0.000 0.285 189 L C 1.511 178.405 176.870 0.040 0.000 1.049 189 L CA -0.437 54.429 54.840 0.043 0.000 0.804 189 L CB 1.425 43.404 42.059 -0.133 0.000 1.195 189 L HN 0.644 nan 8.230 nan 0.000 0.428 190 R N 2.735 123.208 120.500 -0.047 0.000 2.075 190 R HA -0.052 4.305 4.340 0.028 0.000 0.232 190 R C -0.372 175.625 176.300 -0.504 0.000 1.126 190 R CA 1.318 57.145 56.100 -0.456 0.000 0.963 190 R CB 0.220 30.078 30.300 -0.736 0.000 0.858 190 R HN 0.564 nan 8.270 nan 0.000 0.435 191 W N 0.140 121.506 121.300 0.110 0.000 2.606 191 W HA 0.434 5.110 4.660 0.027 0.000 0.332 191 W C -0.383 176.253 176.519 0.195 0.000 1.052 191 W CA -0.865 56.552 57.345 0.119 0.000 1.223 191 W CB 1.800 31.331 29.460 0.119 0.000 1.383 191 W HN 0.017 nan 8.180 nan 0.000 0.524 192 S N -1.131 114.865 115.700 0.493 0.000 2.661 192 S HA 0.178 4.665 4.470 0.028 0.000 0.268 192 S C 0.016 174.870 174.600 0.424 0.000 1.162 192 S CA -0.483 58.017 58.200 0.500 0.000 0.817 192 S CB 1.124 64.594 63.200 0.449 0.000 1.141 192 S HN 0.639 nan 8.310 nan 0.000 0.477 193 D N 0.267 120.924 120.400 0.428 0.000 2.309 193 D HA 0.082 4.739 4.640 0.028 0.000 0.212 193 D C 1.664 178.289 176.300 0.542 0.000 0.968 193 D CA 1.134 55.440 54.000 0.511 0.000 0.882 193 D CB -0.592 40.370 40.800 0.271 0.000 0.918 193 D HN 0.703 nan 8.370 nan 0.000 0.503 194 G N -0.027 109.003 108.800 0.383 0.000 2.484 194 G HA2 -0.197 3.780 3.960 0.028 0.000 0.218 194 G HA3 -0.197 3.780 3.960 0.028 0.000 0.218 194 G C 1.669 176.757 174.900 0.313 0.000 1.130 194 G CA 0.447 45.745 45.100 0.331 0.000 0.784 194 G HN 0.286 nan 8.290 nan 0.000 0.543 195 S N 0.083 115.953 115.700 0.282 0.000 2.419 195 S HA -0.104 4.382 4.470 0.028 0.000 0.233 195 S C 1.883 176.584 174.600 0.168 0.000 1.016 195 S CA 0.684 59.018 58.200 0.223 0.000 0.974 195 S CB -0.375 62.959 63.200 0.223 0.000 0.786 195 S HN 0.505 nan 8.310 nan 0.000 0.492 196 Y N 1.166 121.584 120.300 0.197 0.000 2.497 196 Y HA 0.098 4.664 4.550 0.027 0.000 0.292 196 Y C 1.544 177.543 175.900 0.165 0.000 1.137 196 Y CA 0.583 58.720 58.100 0.061 0.000 1.285 196 Y CB -0.272 38.086 38.460 -0.171 0.000 0.991 196 Y HN 0.213 nan 8.280 nan 0.000 0.556 197 L N -0.458 120.957 121.223 0.320 0.000 2.728 197 L HA 0.171 4.528 4.340 0.028 0.000 0.238 197 L C -0.058 176.953 176.870 0.236 0.000 1.143 197 L CA 0.321 55.307 54.840 0.242 0.000 0.937 197 L CB 0.140 42.345 42.059 0.243 0.000 1.225 197 L HN 0.087 nan 8.230 nan 0.000 0.507 198 E N 0.025 120.380 120.200 0.258 0.000 3.896 198 E HA 0.061 4.427 4.350 0.028 0.000 0.217 198 E C -0.618 176.104 176.600 0.204 0.000 1.150 198 E CA -0.052 56.487 56.400 0.232 0.000 1.338 198 E CB 0.580 30.408 29.700 0.214 0.000 1.242 198 E HN 0.015 nan 8.360 nan 0.000 0.435 199 D N 1.245 121.728 120.400 0.138 0.000 2.722 199 D HA 0.039 4.695 4.640 0.028 0.000 0.239 199 D C -0.273 176.034 176.300 0.013 0.000 1.249 199 D CA -0.182 53.795 54.000 -0.038 0.000 0.830 199 D CB 0.206 40.751 40.800 -0.425 0.000 1.025 199 D HN 0.053 nan 8.370 nan 0.000 0.486 200 Q N 0.498 120.392 119.800 0.157 0.000 2.364 200 Q HA 0.125 4.481 4.340 0.028 0.000 0.267 200 Q C -0.159 175.967 176.000 0.209 0.000 0.999 200 Q CA 0.036 55.994 55.803 0.259 0.000 0.886 200 Q CB 0.683 29.718 28.738 0.496 0.000 1.243 200 Q HN 0.090 nan 8.270 nan 0.000 0.415 201 D N 3.382 123.923 120.400 0.235 0.000 2.441 201 D HA 0.164 4.820 4.640 0.028 0.000 0.243 201 D C -0.777 175.677 176.300 0.257 0.000 1.257 201 D CA 0.184 54.305 54.000 0.202 0.000 1.027 201 D CB -0.419 40.499 40.800 0.197 0.000 1.084 201 D HN 0.494 nan 8.370 nan 0.000 0.514 202 M N 0.289 120.011 119.600 0.203 0.000 3.147 202 M HA 0.392 4.888 4.480 0.028 0.000 0.276 202 M C -1.265 175.149 176.300 0.190 0.000 1.211 202 M CA -1.194 54.169 55.300 0.104 0.000 0.820 202 M CB 0.999 33.552 32.600 -0.079 0.000 1.621 202 M HN -0.087 nan 8.290 nan 0.000 0.507 203 W N 1.820 123.208 121.300 0.148 0.000 2.193 203 W HA 0.311 4.988 4.660 0.028 0.000 0.338 203 W C 0.235 176.783 176.519 0.049 0.000 1.310 203 W CA 0.056 57.481 57.345 0.134 0.000 1.243 203 W CB 0.370 29.849 29.460 0.032 0.000 1.165 203 W HN 0.288 nan 8.180 nan 0.000 0.566 204 R N 4.593 125.286 120.500 0.322 0.000 2.215 204 R HA 0.428 4.784 4.340 0.028 0.000 0.337 204 R C -0.187 176.133 176.300 0.034 0.000 1.010 204 R CA -0.317 55.890 56.100 0.178 0.000 0.871 204 R CB 0.307 30.780 30.300 0.288 0.000 1.134 204 R HN 0.553 nan 8.270 nan 0.000 0.477 205 M N 0.230 119.737 119.600 -0.154 0.000 2.739 205 M HA 0.551 5.048 4.480 0.028 0.000 0.284 205 M C -0.022 175.934 176.300 -0.573 0.000 1.103 205 M CA -0.829 54.251 55.300 -0.366 0.000 0.809 205 M CB 2.116 34.491 32.600 -0.375 0.000 1.708 205 M HN 0.629 nan 8.290 nan 0.000 0.481 206 S N -1.314 113.915 115.700 -0.785 0.000 2.627 206 S HA 0.886 5.372 4.470 0.028 0.000 0.268 206 S C -0.641 173.447 174.600 -0.853 0.000 1.130 206 S CA -0.215 57.452 58.200 -0.888 0.000 0.819 206 S CB 1.485 63.994 63.200 -1.152 0.000 1.100 206 S HN 1.542 nan 8.310 nan 0.000 0.465 207 G N 0.091 108.634 108.800 -0.427 0.000 2.331 207 G HA2 0.158 4.135 3.960 0.028 0.000 0.479 207 G HA3 0.158 4.135 3.960 0.028 0.000 0.479 207 G C -1.308 173.582 174.900 -0.017 0.000 1.262 207 G CA -0.553 44.574 45.100 0.046 0.000 1.029 207 G HN 1.287 nan 8.290 nan 0.000 0.487 208 I N 2.178 122.604 120.570 -0.240 0.000 2.257 208 I HA 0.246 4.433 4.170 0.028 0.000 0.290 208 I C 1.264 177.261 176.117 -0.200 0.000 1.137 208 I CA -0.291 60.786 61.300 -0.372 0.000 1.255 208 I CB -0.207 37.317 38.000 -0.794 0.000 1.485 208 I HN 0.487 nan 8.210 nan 0.000 0.534 209 F N 3.290 123.084 119.950 -0.261 0.000 2.797 209 F HA 0.394 4.937 4.527 0.027 0.000 0.302 209 F C 0.719 176.428 175.800 -0.152 0.000 1.130 209 F CA -0.448 57.429 58.000 -0.204 0.000 1.387 209 F CB -0.272 38.615 39.000 -0.189 0.000 1.107 209 F HN 0.129 nan 8.300 nan 0.000 0.577 210 R N 0.300 120.410 120.500 -0.650 0.000 2.930 210 R HA 0.236 4.593 4.340 0.028 0.000 0.257 210 R C -0.610 175.481 176.300 -0.349 0.000 1.107 210 R CA -1.121 54.668 56.100 -0.518 0.000 0.999 210 R CB 0.869 30.735 30.300 -0.724 0.000 1.209 210 R HN -0.027 nan 8.270 nan 0.000 0.486 211 D N 0.832 121.073 120.400 -0.264 0.000 2.443 211 D HA 0.081 4.738 4.640 0.028 0.000 0.234 211 D C -0.450 175.708 176.300 -0.238 0.000 1.172 211 D CA 0.495 54.377 54.000 -0.196 0.000 0.878 211 D CB 0.746 41.471 40.800 -0.125 0.000 1.204 211 D HN -0.020 nan 8.370 nan 0.000 0.453 212 V N 1.103 120.887 119.914 -0.218 0.000 2.540 212 V HA 0.534 4.670 4.120 0.028 0.000 0.302 212 V C 0.063 176.033 176.094 -0.207 0.000 1.035 212 V CA -0.529 61.579 62.300 -0.320 0.000 0.873 212 V CB 1.732 33.380 31.823 -0.293 0.000 0.992 212 V HN 0.784 nan 8.190 nan 0.000 0.428 213 S N 4.397 119.955 115.700 -0.236 0.000 2.638 213 S HA 0.868 5.354 4.470 0.028 0.000 0.274 213 S C -1.501 173.046 174.600 -0.088 0.000 1.157 213 S CA -0.850 57.280 58.200 -0.118 0.000 0.826 213 S CB 2.120 65.290 63.200 -0.051 0.000 1.139 213 S HN 0.438 nan 8.310 nan 0.000 0.474 214 L N 1.430 122.666 121.223 0.022 0.000 2.349 214 L HA 0.735 5.092 4.340 0.028 0.000 0.278 214 L C -1.405 175.652 176.870 0.311 0.000 0.996 214 L CA -0.642 54.290 54.840 0.154 0.000 0.825 214 L CB 1.532 43.681 42.059 0.150 0.000 1.243 214 L HN 0.817 nan 8.230 nan 0.000 0.412 215 L N 4.576 125.951 121.223 0.253 0.000 2.341 215 L HA 0.505 4.862 4.340 0.028 0.000 0.278 215 L C -1.037 175.860 176.870 0.044 0.000 1.005 215 L CA -0.138 54.791 54.840 0.148 0.000 0.818 215 L CB 1.195 43.304 42.059 0.084 0.000 1.259 215 L HN 0.610 nan 8.230 nan 0.000 0.418 216 H N 5.270 124.127 119.070 -0.355 0.000 2.476 216 H HA 0.502 5.075 4.556 0.028 0.000 0.328 216 H C -1.320 173.793 175.328 -0.358 0.000 1.073 216 H CA -0.586 55.134 56.048 -0.546 0.000 1.229 216 H CB 1.205 30.130 29.762 -1.395 0.000 1.432 216 H HN 0.546 nan 8.280 nan 0.000 0.477 217 K N 5.550 125.546 120.400 -0.672 0.000 2.375 217 K HA 0.371 4.707 4.320 0.028 0.000 0.249 217 K C -2.708 173.603 176.600 -0.482 0.000 0.942 217 K CA -2.034 54.003 56.287 -0.416 0.000 0.806 217 K CB 2.253 34.587 32.500 -0.276 0.000 1.227 217 K HN 0.477 nan 8.250 nan 0.000 0.430 218 P HA 0.140 nan 4.420 nan 0.000 0.273 218 P C 0.547 177.760 177.300 -0.145 0.000 1.250 218 P CA -0.135 62.884 63.100 -0.135 0.000 0.793 218 P CB 0.523 32.192 31.700 -0.053 0.000 1.011 219 T N -1.460 113.041 114.554 -0.088 0.000 2.777 219 T HA -0.041 4.326 4.350 0.028 0.000 0.266 219 T C 0.542 175.196 174.700 -0.078 0.000 1.040 219 T CA 1.498 63.552 62.100 -0.076 0.000 1.141 219 T CB -0.649 68.195 68.868 -0.039 0.000 0.868 219 T HN 0.419 nan 8.240 nan 0.000 0.444 220 T N 3.992 118.508 114.554 -0.064 0.000 2.723 220 T HA 0.407 4.773 4.350 0.028 0.000 0.297 220 T C -0.122 174.527 174.700 -0.085 0.000 0.925 220 T CA -0.518 61.536 62.100 -0.077 0.000 1.030 220 T CB 0.372 69.213 68.868 -0.045 0.000 0.905 220 T HN 0.487 nan 8.240 nan 0.000 0.502 221 Q N 2.410 122.142 119.800 -0.114 0.000 2.553 221 Q HA 0.624 4.980 4.340 0.028 0.000 0.293 221 Q C -1.197 174.723 176.000 -0.133 0.000 1.038 221 Q CA -1.190 54.534 55.803 -0.133 0.000 0.777 221 Q CB 1.435 30.072 28.738 -0.169 0.000 1.487 221 Q HN 0.461 nan 8.270 nan 0.000 0.426 222 I N 2.707 123.170 120.570 -0.178 0.000 2.322 222 I HA 0.043 4.230 4.170 0.028 0.000 0.292 222 I C 0.698 176.679 176.117 -0.226 0.000 1.060 222 I CA -0.133 61.074 61.300 -0.155 0.000 1.309 222 I CB 1.067 38.929 38.000 -0.229 0.000 1.415 222 I HN 0.855 nan 8.210 nan 0.000 0.492 223 S N 2.794 118.471 115.700 -0.037 0.000 2.503 223 S HA 0.148 4.635 4.470 0.028 0.000 0.217 223 S C 0.223 175.027 174.600 0.340 0.000 0.999 223 S CA -0.158 58.091 58.200 0.082 0.000 0.914 223 S CB 0.156 63.379 63.200 0.037 0.000 0.782 223 S HN 0.722 nan 8.310 nan 0.000 0.520 224 D N -0.465 120.148 120.400 0.355 0.000 2.766 224 D HA 0.479 5.135 4.640 0.028 0.000 0.244 224 D C -1.949 174.573 176.300 0.371 0.000 1.198 224 D CA -0.737 53.503 54.000 0.400 0.000 0.739 224 D CB 1.178 42.081 40.800 0.172 0.000 1.379 224 D HN 0.173 nan 8.370 nan 0.000 0.437 225 F N -0.535 119.493 119.950 0.129 0.000 2.650 225 F HA 0.599 5.143 4.527 0.028 0.000 0.310 225 F C -1.559 174.348 175.800 0.179 0.000 1.112 225 F CA -0.747 57.272 58.000 0.032 0.000 0.986 225 F CB 1.101 40.153 39.000 0.087 0.000 1.285 225 F HN 0.277 nan 8.300 nan 0.000 0.440 226 H N 1.615 120.740 119.070 0.092 0.000 2.538 226 H HA 0.780 5.353 4.556 0.028 0.000 0.353 226 H C -1.284 174.071 175.328 0.045 0.000 1.109 226 H CA -1.542 54.494 56.048 -0.020 0.000 1.192 226 H CB 2.683 32.422 29.762 -0.038 0.000 1.555 226 H HN 0.606 nan 8.280 nan 0.000 0.518 227 V N 2.094 122.083 119.914 0.126 0.000 2.448 227 V HA 0.679 4.816 4.120 0.028 0.000 0.295 227 V C -0.175 175.901 176.094 -0.031 0.000 1.025 227 V CA -0.615 61.717 62.300 0.054 0.000 0.859 227 V CB 1.235 33.085 31.823 0.046 0.000 0.988 227 V HN 0.924 nan 8.190 nan 0.000 0.431 228 A N 3.205 125.985 122.820 -0.067 0.000 2.454 228 A HA 0.988 5.324 4.320 0.028 0.000 0.302 228 A C -0.206 177.258 177.584 -0.201 0.000 1.079 228 A CA -0.509 51.465 52.037 -0.105 0.000 0.731 228 A CB 2.171 21.135 19.000 -0.060 0.000 1.299 228 A HN 0.991 nan 8.150 nan 0.000 0.413 229 T N -0.508 113.901 114.554 -0.241 0.000 2.949 229 T HA 0.666 5.032 4.350 0.028 0.000 0.300 229 T C -0.552 173.875 174.700 -0.454 0.000 0.988 229 T CA -0.807 61.036 62.100 -0.429 0.000 0.993 229 T CB 0.816 69.302 68.868 -0.636 0.000 0.984 229 T HN 1.010 nan 8.240 nan 0.000 0.442 230 R N 1.951 122.138 120.500 -0.522 0.000 2.778 230 R HA 0.863 5.220 4.340 0.028 0.000 0.277 230 R C -1.507 174.402 176.300 -0.652 0.000 0.977 230 R CA -0.932 54.938 56.100 -0.382 0.000 0.950 230 R CB 1.205 31.418 30.300 -0.145 0.000 1.165 230 R HN 0.443 nan 8.270 nan 0.000 0.474 231 F N 0.122 120.031 119.950 -0.069 0.000 2.631 231 F HA 0.381 4.924 4.527 0.026 0.000 0.328 231 F C 0.411 176.064 175.800 -0.246 0.000 1.067 231 F CA -1.181 56.721 58.000 -0.164 0.000 0.969 231 F CB 0.963 39.765 39.000 -0.330 0.000 1.332 231 F HN 0.664 nan 8.300 nan 0.000 0.490 232 N N -0.035 118.645 118.700 -0.034 0.000 2.405 232 N HA 0.065 4.821 4.740 0.028 0.000 0.269 232 N C 0.346 175.736 175.510 -0.201 0.000 1.249 232 N CA -0.061 52.941 53.050 -0.081 0.000 0.974 232 N CB 0.173 38.644 38.487 -0.027 0.000 1.204 232 N HN 0.680 nan 8.380 nan 0.000 0.565 233 D N -0.865 119.463 120.400 -0.119 0.000 2.133 233 D HA -0.255 4.402 4.640 0.028 0.000 0.195 233 D C 0.538 176.797 176.300 -0.068 0.000 0.997 233 D CA 1.753 55.689 54.000 -0.107 0.000 0.840 233 D CB -0.578 40.209 40.800 -0.020 0.000 0.947 233 D HN 0.742 nan 8.370 nan 0.000 0.452 234 D N -1.557 118.852 120.400 0.016 0.000 2.342 234 D HA -0.004 4.652 4.640 0.028 0.000 0.221 234 D C 0.123 176.617 176.300 0.324 0.000 1.101 234 D CA -0.806 53.301 54.000 0.178 0.000 0.837 234 D CB -0.923 39.957 40.800 0.133 0.000 0.938 234 D HN 0.245 nan 8.370 nan 0.000 0.508 235 F N 0.289 120.290 119.950 0.084 0.000 3.034 235 F HA -0.297 4.246 4.527 0.026 0.000 0.286 235 F C 1.691 177.565 175.800 0.124 0.000 0.804 235 F CA 0.813 58.873 58.000 0.100 0.000 1.161 235 F CB -2.499 36.451 39.000 -0.083 0.000 1.317 235 F HN 0.215 nan 8.300 nan 0.000 0.453 236 S N -1.090 114.732 115.700 0.203 0.000 2.527 236 S HA 0.213 4.699 4.470 0.028 0.000 0.222 236 S C 0.684 175.352 174.600 0.113 0.000 0.985 236 S CA 0.113 58.398 58.200 0.142 0.000 0.921 236 S CB 0.338 63.595 63.200 0.096 0.000 0.772 236 S HN 0.461 nan 8.310 nan 0.000 0.529 237 R N 0.247 120.822 120.500 0.126 0.000 2.621 237 R HA 0.795 5.152 4.340 0.028 0.000 0.284 237 R C -1.266 175.091 176.300 0.095 0.000 0.998 237 R CA -0.290 55.854 56.100 0.074 0.000 0.895 237 R CB 2.244 32.561 30.300 0.029 0.000 1.195 237 R HN 0.256 nan 8.270 nan 0.000 0.450 238 A N 1.771 124.601 122.820 0.018 0.000 2.515 238 A HA 0.775 5.112 4.320 0.028 0.000 0.296 238 A C -1.297 176.229 177.584 -0.096 0.000 1.094 238 A CA -0.686 51.293 52.037 -0.097 0.000 0.718 238 A CB 2.075 21.035 19.000 -0.066 0.000 1.307 238 A HN 0.349 nan 8.150 nan 0.000 0.408 239 V N 1.458 121.275 119.914 -0.161 0.000 2.483 239 V HA 0.438 4.574 4.120 0.028 0.000 0.297 239 V C -0.618 175.404 176.094 -0.120 0.000 1.027 239 V CA -0.333 61.905 62.300 -0.104 0.000 0.855 239 V CB 1.420 33.180 31.823 -0.104 0.000 0.995 239 V HN 0.811 nan 8.190 nan 0.000 0.424 240 L N 4.628 125.818 121.223 -0.055 0.000 2.264 240 L HA 0.627 4.984 4.340 0.028 0.000 0.289 240 L C -0.009 176.814 176.870 -0.078 0.000 1.044 240 L CA 0.039 54.818 54.840 -0.101 0.000 0.807 240 L CB 1.086 43.120 42.059 -0.041 0.000 1.192 240 L HN 0.806 nan 8.230 nan 0.000 0.425 241 E N 4.743 124.890 120.200 -0.088 0.000 2.165 241 E HA 0.632 4.998 4.350 0.028 0.000 0.266 241 E C -1.478 175.110 176.600 -0.019 0.000 0.889 241 E CA -0.809 55.561 56.400 -0.050 0.000 0.756 241 E CB 1.714 31.384 29.700 -0.051 0.000 1.131 241 E HN 0.727 nan 8.360 nan 0.000 0.411 242 A N 4.853 127.673 122.820 0.000 0.000 2.310 242 A HA 0.277 4.614 4.320 0.028 0.000 0.304 242 A C -0.580 177.022 177.584 0.030 0.000 1.231 242 A CA -0.672 51.392 52.037 0.044 0.000 0.799 242 A CB 1.022 20.054 19.000 0.054 0.000 1.162 242 A HN 0.739 nan 8.150 nan 0.000 0.486 243 E N 2.623 122.845 120.200 0.037 0.000 2.200 243 E HA 0.515 4.882 4.350 0.028 0.000 0.283 243 E C -1.286 175.310 176.600 -0.006 0.000 1.015 243 E CA -0.302 56.086 56.400 -0.021 0.000 0.819 243 E CB 1.081 30.731 29.700 -0.084 0.000 1.081 243 E HN 0.382 nan 8.360 nan 0.000 0.397 244 V N 4.778 124.699 119.914 0.012 0.000 2.540 244 V HA 0.282 4.419 4.120 0.028 0.000 0.302 244 V C -0.418 175.761 176.094 0.142 0.000 1.035 244 V CA -0.802 61.549 62.300 0.084 0.000 0.873 244 V CB 1.675 33.525 31.823 0.045 0.000 0.992 244 V HN 0.735 nan 8.190 nan 0.000 0.428 245 Q N 4.066 123.939 119.800 0.121 0.000 2.309 245 Q HA 0.829 5.185 4.340 0.028 0.000 0.264 245 Q C -0.722 175.315 176.000 0.061 0.000 1.008 245 Q CA -0.811 55.039 55.803 0.079 0.000 0.853 245 Q CB 2.591 31.314 28.738 -0.025 0.000 1.314 245 Q HN 0.827 nan 8.270 nan 0.000 0.448 246 M N -0.746 118.798 119.600 -0.094 0.000 2.690 246 M HA 0.770 5.267 4.480 0.028 0.000 0.302 246 M C -1.458 174.715 176.300 -0.212 0.000 1.234 246 M CA -0.471 54.697 55.300 -0.219 0.000 0.853 246 M CB 1.640 33.892 32.600 -0.580 0.000 1.748 246 M HN 0.531 nan 8.290 nan 0.000 0.469 247 C N 0.651 119.845 119.300 -0.176 0.000 2.889 247 C HA 1.042 5.518 4.460 0.028 0.000 0.307 247 C C 0.587 175.490 174.990 -0.146 0.000 1.251 247 C CA 0.518 59.456 59.018 -0.134 0.000 1.593 247 C CB 1.182 28.874 27.740 -0.080 0.000 2.104 247 C HN 1.457 nan 8.230 nan 0.000 0.476 248 G N 1.364 110.093 108.800 -0.118 0.000 2.409 248 G HA2 0.022 3.999 3.960 0.028 0.000 0.421 248 G HA3 0.022 3.999 3.960 0.028 0.000 0.421 248 G C -1.033 173.796 174.900 -0.118 0.000 1.259 248 G CA -0.392 44.646 45.100 -0.105 0.000 1.011 248 G HN 0.959 nan 8.290 nan 0.000 0.497 249 E N -0.029 120.110 120.200 -0.102 0.000 2.223 249 E HA 0.464 4.830 4.350 0.028 0.000 0.282 249 E C 0.441 176.947 176.600 -0.156 0.000 1.046 249 E CA -0.560 55.777 56.400 -0.105 0.000 0.857 249 E CB 0.331 29.991 29.700 -0.066 0.000 1.055 249 E HN 0.472 nan 8.360 nan 0.000 0.409 250 L N 5.064 126.185 121.223 -0.170 0.000 2.410 250 L HA 0.248 4.605 4.340 0.028 0.000 0.273 250 L C 0.471 177.215 176.870 -0.211 0.000 1.152 250 L CA 0.054 54.771 54.840 -0.206 0.000 0.855 250 L CB 0.359 42.316 42.059 -0.169 0.000 1.129 250 L HN 0.465 nan 8.230 nan 0.000 0.463 251 R N 1.852 122.173 120.500 -0.298 0.000 2.673 251 R HA 0.194 4.551 4.340 0.028 0.000 0.281 251 R C -0.065 176.004 176.300 -0.385 0.000 0.991 251 R CA -0.760 55.059 56.100 -0.469 0.000 0.896 251 R CB 1.685 31.344 30.300 -1.067 0.000 1.201 251 R HN 0.541 nan 8.270 nan 0.000 0.457 252 D N 1.165 121.415 120.400 -0.249 0.000 2.263 252 D HA -0.149 4.507 4.640 0.028 0.000 0.208 252 D C 1.411 177.687 176.300 -0.039 0.000 0.971 252 D CA 1.593 55.539 54.000 -0.090 0.000 0.867 252 D CB 0.237 41.032 40.800 -0.009 0.000 0.929 252 D HN 0.566 nan 8.370 nan 0.000 0.492 253 Y N -0.079 120.236 120.300 0.024 0.000 2.511 253 Y HA 0.276 4.842 4.550 0.028 0.000 0.279 253 Y C 0.862 176.769 175.900 0.012 0.000 1.157 253 Y CA -0.481 57.630 58.100 0.018 0.000 1.300 253 Y CB -0.766 37.706 38.460 0.020 0.000 1.052 253 Y HN -0.213 nan 8.280 nan 0.000 0.529 254 L N 2.857 124.030 121.223 -0.083 0.000 2.456 254 L HA 0.271 4.628 4.340 0.028 0.000 0.272 254 L C 0.226 177.080 176.870 -0.027 0.000 1.189 254 L CA 0.045 54.901 54.840 0.026 0.000 0.846 254 L CB 0.450 42.539 42.059 0.051 0.000 1.111 254 L HN 0.197 nan 8.230 nan 0.000 0.475 255 R N 2.042 122.422 120.500 -0.199 0.000 2.774 255 R HA 0.693 5.050 4.340 0.028 0.000 0.272 255 R C -1.512 174.435 176.300 -0.588 0.000 1.000 255 R CA -0.818 55.011 56.100 -0.450 0.000 0.906 255 R CB 2.301 32.249 30.300 -0.587 0.000 1.227 255 R HN 0.271 nan 8.270 nan 0.000 0.468 256 V N 1.122 120.729 119.914 -0.513 0.000 2.577 256 V HA 0.427 4.564 4.120 0.028 0.000 0.303 256 V C -0.487 175.513 176.094 -0.158 0.000 1.042 256 V CA -0.543 61.545 62.300 -0.353 0.000 0.872 256 V CB 2.270 33.811 31.823 -0.470 0.000 0.998 256 V HN 0.724 nan 8.190 nan 0.000 0.423 257 T N 4.326 118.895 114.554 0.024 0.000 2.807 257 T HA 0.641 5.008 4.350 0.028 0.000 0.279 257 T C -0.617 174.098 174.700 0.026 0.000 0.993 257 T CA -0.388 61.762 62.100 0.084 0.000 0.970 257 T CB 1.747 70.737 68.868 0.203 0.000 0.950 257 T HN 0.329 nan 8.240 nan 0.000 0.441 258 V N 3.747 123.662 119.914 0.002 0.000 2.448 258 V HA 0.699 4.836 4.120 0.028 0.000 0.295 258 V C -0.113 175.994 176.094 0.021 0.000 1.025 258 V CA -0.752 61.550 62.300 0.003 0.000 0.859 258 V CB 1.785 33.598 31.823 -0.017 0.000 0.988 258 V HN 1.049 nan 8.190 nan 0.000 0.431 259 S N 5.265 121.007 115.700 0.069 0.000 2.526 259 S HA 0.841 5.328 4.470 0.028 0.000 0.293 259 S C -1.155 173.495 174.600 0.083 0.000 1.092 259 S CA -0.745 57.477 58.200 0.036 0.000 0.980 259 S CB 2.076 65.346 63.200 0.117 0.000 1.048 259 S HN 0.545 nan 8.310 nan 0.000 0.483 260 L N 2.592 123.771 121.223 -0.073 0.000 2.322 260 L HA 0.804 5.161 4.340 0.028 0.000 0.281 260 L C -1.855 174.967 176.870 -0.081 0.000 1.014 260 L CA -0.311 54.571 54.840 0.070 0.000 0.815 260 L CB 0.785 42.896 42.059 0.088 0.000 1.247 260 L HN 0.886 nan 8.230 nan 0.000 0.421 261 W N 3.614 125.024 121.300 0.183 0.000 2.736 261 W HA 0.562 5.238 4.660 0.027 0.000 0.335 261 W C -0.500 176.102 176.519 0.138 0.000 1.059 261 W CA -0.484 56.940 57.345 0.132 0.000 1.226 261 W CB 1.333 30.823 29.460 0.049 0.000 1.416 261 W HN 0.407 nan 8.180 nan 0.000 0.505 262 Q N 2.717 122.655 119.800 0.231 0.000 2.607 262 Q HA 0.466 4.823 4.340 0.028 0.000 0.247 262 Q C 0.654 176.670 176.000 0.027 0.000 1.033 262 Q CA 0.559 56.318 55.803 -0.075 0.000 0.769 262 Q CB 0.412 29.030 28.738 -0.200 0.000 1.169 262 Q HN 0.817 nan 8.270 nan 0.000 0.508 263 G N 3.052 111.882 108.800 0.050 0.000 2.523 263 G HA2 -0.351 3.625 3.960 0.028 0.000 0.271 263 G HA3 -0.351 3.625 3.960 0.028 0.000 0.271 263 G C 0.306 175.280 174.900 0.125 0.000 1.146 263 G CA 0.331 45.460 45.100 0.048 0.000 0.961 263 G HN 0.655 nan 8.290 nan 0.000 0.549 264 E N 0.650 120.921 120.200 0.118 0.000 2.479 264 E HA 0.196 4.562 4.350 0.028 0.000 0.193 264 E C 0.280 177.086 176.600 0.344 0.000 1.049 264 E CA 0.561 57.064 56.400 0.171 0.000 0.870 264 E CB 0.296 30.043 29.700 0.078 0.000 0.944 264 E HN 0.321 nan 8.360 nan 0.000 0.492 265 T N 1.961 116.675 114.554 0.267 0.000 2.727 265 T HA 0.069 4.435 4.350 0.028 0.000 0.298 265 T C -0.178 174.548 174.700 0.044 0.000 0.942 265 T CA -0.284 61.910 62.100 0.156 0.000 0.997 265 T CB 1.098 69.999 68.868 0.055 0.000 0.917 265 T HN 0.065 nan 8.240 nan 0.000 0.487 266 Q N 3.392 122.996 119.800 -0.328 0.000 2.297 266 Q HA 0.164 4.520 4.340 0.028 0.000 0.267 266 Q C 0.319 176.042 176.000 -0.462 0.000 1.006 266 Q CA -0.201 54.989 55.803 -1.022 0.000 0.896 266 Q CB 0.640 28.459 28.738 -1.532 0.000 1.186 266 Q HN 0.521 nan 8.270 nan 0.000 0.392 267 V N 3.098 122.809 119.914 -0.338 0.000 2.949 267 V HA 0.286 4.423 4.120 0.028 0.000 0.245 267 V C 0.306 176.304 176.094 -0.159 0.000 1.086 267 V CA 1.148 63.362 62.300 -0.145 0.000 1.097 267 V CB 0.399 32.237 31.823 0.025 0.000 0.762 267 V HN 0.813 nan 8.190 nan 0.000 0.470 268 A N -1.195 121.499 122.820 -0.210 0.000 2.612 268 A HA 0.787 5.124 4.320 0.028 0.000 0.293 268 A C -0.824 176.656 177.584 -0.173 0.000 1.075 268 A CA -0.094 51.850 52.037 -0.154 0.000 0.680 268 A CB 1.971 20.917 19.000 -0.089 0.000 1.279 268 A HN 0.040 nan 8.150 nan 0.000 0.411 269 S N -0.893 114.735 115.700 -0.120 0.000 2.537 269 S HA 0.798 5.285 4.470 0.028 0.000 0.270 269 S C -0.570 173.998 174.600 -0.054 0.000 1.142 269 S CA 0.217 58.364 58.200 -0.088 0.000 0.870 269 S CB 1.687 64.827 63.200 -0.099 0.000 1.112 269 S HN 2.283 nan 8.310 nan 0.000 0.466 270 G N 1.665 110.445 108.800 -0.034 0.000 2.719 270 G HA2 0.650 4.627 3.960 0.028 0.000 0.298 270 G HA3 0.650 4.627 3.960 0.028 0.000 0.298 270 G C -1.396 173.491 174.900 -0.021 0.000 1.411 270 G CA -0.412 44.669 45.100 -0.031 0.000 0.991 270 G HN 0.703 nan 8.290 nan 0.000 0.509 271 T N -0.203 114.338 114.554 -0.021 0.000 2.900 271 T HA 0.865 5.232 4.350 0.028 0.000 0.295 271 T C -0.387 174.276 174.700 -0.062 0.000 1.044 271 T CA -0.027 62.061 62.100 -0.019 0.000 0.995 271 T CB 1.861 70.755 68.868 0.044 0.000 1.072 271 T HN 1.635 nan 8.240 nan 0.000 0.473 272 A N 3.302 126.048 122.820 -0.122 0.000 2.605 272 A HA 0.878 5.215 4.320 0.028 0.000 0.294 272 A C -3.110 174.337 177.584 -0.229 0.000 1.062 272 A CA -1.451 50.500 52.037 -0.142 0.000 0.682 272 A CB 1.245 20.164 19.000 -0.134 0.000 1.278 272 A HN 0.541 nan 8.150 nan 0.000 0.410 273 P HA 0.529 nan 4.420 nan 0.000 0.278 273 P C -0.582 176.587 177.300 -0.217 0.000 1.266 273 P CA -0.228 62.771 63.100 -0.168 0.000 0.807 273 P CB 0.431 32.097 31.700 -0.057 0.000 1.094 274 F N -0.224 119.685 119.950 -0.069 0.000 2.444 274 F HA 0.461 5.004 4.527 0.027 0.000 0.331 274 F C 1.484 177.263 175.800 -0.034 0.000 1.167 274 F CA 1.579 59.547 58.000 -0.054 0.000 1.262 274 F CB 0.117 39.078 39.000 -0.064 0.000 1.196 274 F HN 0.607 nan 8.300 nan 0.000 0.583 275 G N 1.405 110.326 108.800 0.202 0.000 2.781 275 G HA2 0.370 4.347 3.960 0.028 0.000 0.468 275 G HA3 0.370 4.347 3.960 0.028 0.000 0.468 275 G C -0.473 174.477 174.900 0.083 0.000 1.186 275 G CA -0.725 44.445 45.100 0.116 0.000 1.220 275 G HN 1.030 nan 8.290 nan 0.000 0.564 276 G N 0.721 109.589 108.800 0.113 0.000 2.562 276 G HA2 0.703 4.680 3.960 0.028 0.000 0.275 276 G HA3 0.703 4.680 3.960 0.028 0.000 0.275 276 G C 0.484 175.425 174.900 0.068 0.000 1.196 276 G CA 0.015 45.172 45.100 0.095 0.000 0.908 276 G HN 1.115 nan 8.290 nan 0.000 0.524 277 E N -0.666 119.566 120.200 0.053 0.000 2.425 277 E HA 0.103 4.470 4.350 0.028 0.000 0.258 277 E C -0.191 176.430 176.600 0.034 0.000 1.151 277 E CA -0.433 55.988 56.400 0.034 0.000 0.958 277 E CB 0.791 30.507 29.700 0.026 0.000 0.968 277 E HN 0.300 nan 8.360 nan 0.000 0.451 278 I N 1.977 122.555 120.570 0.014 0.000 2.683 278 I HA -0.131 4.056 4.170 0.028 0.000 0.286 278 I C 0.949 177.069 176.117 0.005 0.000 1.175 278 I CA -0.096 61.203 61.300 -0.001 0.000 1.429 278 I CB 0.325 38.320 38.000 -0.008 0.000 1.371 278 I HN 0.601 nan 8.210 nan 0.000 0.569 279 I N 4.046 124.610 120.570 -0.011 0.000 2.729 279 I HA 0.061 4.248 4.170 0.028 0.000 0.256 279 I C 0.623 176.732 176.117 -0.013 0.000 1.115 279 I CA 1.056 62.357 61.300 0.002 0.000 1.446 279 I CB -0.890 37.107 38.000 -0.004 0.000 1.176 279 I HN 0.689 nan 8.210 nan 0.000 0.446 280 D N -1.372 119.006 120.400 -0.037 0.000 3.057 280 D HA 0.136 4.793 4.640 0.028 0.000 0.328 280 D C 0.486 176.765 176.300 -0.035 0.000 1.317 280 D CA -0.428 53.554 54.000 -0.030 0.000 0.973 280 D CB 0.506 41.287 40.800 -0.031 0.000 1.424 280 D HN -0.271 nan 8.370 nan 0.000 0.569 281 E N -0.963 119.219 120.200 -0.029 0.000 2.209 281 E HA -0.058 4.309 4.350 0.028 0.000 0.196 281 E C 1.413 177.992 176.600 -0.036 0.000 0.993 281 E CA 1.021 57.405 56.400 -0.027 0.000 0.819 281 E CB -0.030 29.657 29.700 -0.021 0.000 0.745 281 E HN 0.203 nan 8.360 nan 0.000 0.477 282 R N -0.317 120.153 120.500 -0.051 0.000 2.317 282 R HA 0.272 4.628 4.340 0.028 0.000 0.208 282 R C 0.886 177.140 176.300 -0.077 0.000 0.914 282 R CA 0.728 56.791 56.100 -0.062 0.000 1.060 282 R CB 0.430 30.687 30.300 -0.072 0.000 1.015 282 R HN 0.228 nan 8.270 nan 0.000 0.498 283 G N -0.705 108.050 108.800 -0.075 0.000 2.460 283 G HA2 -0.097 3.879 3.960 0.028 0.000 0.207 283 G HA3 -0.097 3.879 3.960 0.028 0.000 0.207 283 G C -0.194 174.645 174.900 -0.103 0.000 1.170 283 G CA -0.588 44.467 45.100 -0.075 0.000 1.151 283 G HN 0.509 nan 8.290 nan 0.000 0.575 284 G N -2.031 106.700 108.800 -0.115 0.000 2.975 284 G HA2 0.638 4.614 3.960 0.028 0.000 0.291 284 G HA3 0.638 4.614 3.960 0.028 0.000 0.291 284 G C -1.674 173.107 174.900 -0.198 0.000 1.334 284 G CA -0.644 44.380 45.100 -0.126 0.000 0.843 284 G HN 0.798 nan 8.290 nan 0.000 0.548 285 Y N 1.161 121.466 120.300 0.009 0.000 2.504 285 Y HA 0.437 5.004 4.550 0.027 0.000 0.351 285 Y C 1.441 177.354 175.900 0.023 0.000 0.988 285 Y CA 0.222 58.328 58.100 0.010 0.000 1.239 285 Y CB 1.598 40.067 38.460 0.015 0.000 1.128 285 Y HN 0.554 nan 8.280 nan 0.000 0.525 286 A N 1.867 124.750 122.820 0.105 0.000 2.066 286 A HA -0.125 4.211 4.320 0.028 0.000 0.218 286 A C 1.481 179.115 177.584 0.083 0.000 1.157 286 A CA 1.325 53.409 52.037 0.077 0.000 0.670 286 A CB -0.232 18.777 19.000 0.015 0.000 0.804 286 A HN 0.777 nan 8.150 nan 0.000 0.453 287 D N -0.717 119.723 120.400 0.067 0.000 2.358 287 D HA 0.107 4.764 4.640 0.028 0.000 0.224 287 D C 0.431 176.755 176.300 0.039 0.000 1.123 287 D CA -0.013 53.935 54.000 -0.087 0.000 0.833 287 D CB -0.038 40.702 40.800 -0.100 0.000 0.946 287 D HN 0.378 nan 8.370 nan 0.000 0.505 288 R N -0.753 119.906 120.500 0.265 0.000 2.808 288 R HA 0.721 5.077 4.340 0.028 0.000 0.272 288 R C -1.633 174.837 176.300 0.283 0.000 0.995 288 R CA -1.077 55.195 56.100 0.287 0.000 0.917 288 R CB 3.078 33.425 30.300 0.077 0.000 1.217 288 R HN -0.022 nan 8.270 nan 0.000 0.471 289 V N 0.489 120.479 119.914 0.126 0.000 3.048 289 V HA 0.513 4.650 4.120 0.028 0.000 0.303 289 V C -1.472 174.590 176.094 -0.052 0.000 1.214 289 V CA -0.300 61.982 62.300 -0.030 0.000 0.984 289 V CB 2.797 34.465 31.823 -0.258 0.000 1.054 289 V HN 0.812 nan 8.190 nan 0.000 0.430 290 T N 7.156 121.681 114.554 -0.048 0.000 2.792 290 T HA 0.595 4.962 4.350 0.028 0.000 0.280 290 T C -0.976 173.692 174.700 -0.052 0.000 0.990 290 T CA -0.410 61.666 62.100 -0.040 0.000 0.960 290 T CB 1.073 69.928 68.868 -0.021 0.000 0.939 290 T HN 0.427 nan 8.240 nan 0.000 0.439 291 L N 3.762 124.954 121.223 -0.050 0.000 2.309 291 L HA 0.559 4.916 4.340 0.028 0.000 0.282 291 L C 0.445 177.293 176.870 -0.038 0.000 1.036 291 L CA -0.407 54.403 54.840 -0.050 0.000 0.806 291 L CB 1.301 43.328 42.059 -0.053 0.000 1.220 291 L HN 0.533 nan 8.230 nan 0.000 0.429 292 R N 4.625 125.101 120.500 -0.039 0.000 2.409 292 R HA 0.659 5.016 4.340 0.028 0.000 0.313 292 R C -1.104 175.173 176.300 -0.038 0.000 0.953 292 R CA -0.707 55.370 56.100 -0.039 0.000 0.849 292 R CB 2.019 32.296 30.300 -0.039 0.000 1.171 292 R HN 0.482 nan 8.270 nan 0.000 0.458 293 L N 2.850 124.052 121.223 -0.035 0.000 2.341 293 L HA 0.425 4.782 4.340 0.028 0.000 0.278 293 L C -0.131 176.720 176.870 -0.032 0.000 1.005 293 L CA -1.035 53.785 54.840 -0.033 0.000 0.818 293 L CB 1.719 43.764 42.059 -0.024 0.000 1.259 293 L HN 0.434 nan 8.230 nan 0.000 0.418 294 N N 2.299 120.975 118.700 -0.039 0.000 2.472 294 N HA 0.400 5.156 4.740 0.028 0.000 0.277 294 N C -0.914 174.563 175.510 -0.055 0.000 1.081 294 N CA -0.203 52.821 53.050 -0.043 0.000 0.973 294 N CB 2.553 41.016 38.487 -0.040 0.000 1.105 294 N HN 0.187 nan 8.380 nan 0.000 0.470 295 V N 2.402 122.274 119.914 -0.071 0.000 2.482 295 V HA 0.189 4.326 4.120 0.028 0.000 0.295 295 V C -0.271 175.760 176.094 -0.105 0.000 1.026 295 V CA -0.852 61.371 62.300 -0.127 0.000 0.856 295 V CB 1.913 33.563 31.823 -0.288 0.000 1.001 295 V HN 0.463 nan 8.190 nan 0.000 0.424 296 E N 3.030 123.188 120.200 -0.071 0.000 2.249 296 E HA 0.322 4.689 4.350 0.028 0.000 0.280 296 E C 0.182 176.766 176.600 -0.026 0.000 1.016 296 E CA -0.487 55.893 56.400 -0.033 0.000 0.830 296 E CB 0.651 30.340 29.700 -0.018 0.000 1.081 296 E HN 0.734 nan 8.360 nan 0.000 0.395 297 N N 1.007 119.712 118.700 0.008 0.000 2.705 297 N HA -0.148 4.608 4.740 0.028 0.000 0.255 297 N C -2.457 173.060 175.510 0.012 0.000 1.008 297 N CA 0.308 53.376 53.050 0.030 0.000 0.742 297 N CB -1.156 37.349 38.487 0.030 0.000 0.906 297 N HN 0.357 nan 8.380 nan 0.000 0.541 298 P HA -0.002 nan 4.420 nan 0.000 0.269 298 P C -0.433 176.897 177.300 0.051 0.000 1.209 298 P CA 0.272 63.284 63.100 -0.146 0.000 0.776 298 P CB 0.768 32.131 31.700 -0.561 0.000 0.876 299 K N 2.794 123.310 120.400 0.194 0.000 2.349 299 K HA 0.249 4.585 4.320 0.028 0.000 0.289 299 K C 0.304 177.063 176.600 0.265 0.000 1.064 299 K CA -0.334 56.063 56.287 0.183 0.000 0.947 299 K CB 0.120 32.699 32.500 0.131 0.000 1.007 299 K HN 0.440 nan 8.250 nan 0.000 0.478 300 L N 2.684 123.992 121.223 0.140 0.000 2.417 300 L HA 0.226 4.583 4.340 0.028 0.000 0.268 300 L C 0.125 177.076 176.870 0.134 0.000 1.158 300 L CA -0.645 54.272 54.840 0.128 0.000 0.819 300 L CB 0.316 42.288 42.059 -0.145 0.000 1.112 300 L HN 0.604 nan 8.230 nan 0.000 0.458 301 W N 3.276 124.603 121.300 0.043 0.000 2.376 301 W HA 0.495 5.170 4.660 0.026 0.000 0.322 301 W C -0.032 176.439 176.519 -0.079 0.000 1.160 301 W CA 0.128 57.490 57.345 0.029 0.000 1.218 301 W CB 1.346 30.877 29.460 0.118 0.000 1.205 301 W HN 0.629 nan 8.180 nan 0.000 0.559 302 S N 2.695 117.863 115.700 -0.888 0.000 2.636 302 S HA 0.581 5.068 4.470 0.028 0.000 0.266 302 S C -0.048 173.803 174.600 -1.248 0.000 1.147 302 S CA -0.359 57.371 58.200 -0.784 0.000 0.815 302 S CB 0.912 63.899 63.200 -0.354 0.000 1.119 302 S HN 1.074 nan 8.310 nan 0.000 0.470 303 A N 0.409 122.652 122.820 -0.960 0.000 2.066 303 A HA 0.108 4.445 4.320 0.028 0.000 0.218 303 A C 1.733 178.985 177.584 -0.553 0.000 1.157 303 A CA 1.412 52.874 52.037 -0.958 0.000 0.670 303 A CB -0.916 17.363 19.000 -1.202 0.000 0.804 303 A HN 0.855 nan 8.150 nan 0.000 0.453 304 E N -0.600 119.408 120.200 -0.320 0.000 2.046 304 E HA 0.047 4.413 4.350 0.028 0.000 0.190 304 E C -0.145 176.312 176.600 -0.239 0.000 0.982 304 E CA 0.760 57.033 56.400 -0.211 0.000 0.800 304 E CB 0.002 29.707 29.700 0.009 0.000 0.756 304 E HN 0.578 nan 8.360 nan 0.000 0.449 305 I N 2.068 122.485 120.570 -0.255 0.000 2.563 305 I HA 0.158 4.345 4.170 0.028 0.000 0.276 305 I C -2.388 173.528 176.117 -0.335 0.000 1.074 305 I CA -1.849 59.323 61.300 -0.213 0.000 1.124 305 I CB 1.965 39.895 38.000 -0.117 0.000 1.225 305 I HN -0.173 nan 8.210 nan 0.000 0.482 306 P HA 0.017 nan 4.420 nan 0.000 0.232 306 P C -0.530 176.783 177.300 0.022 0.000 1.738 306 P CA -0.126 62.719 63.100 -0.424 0.000 0.948 306 P CB -0.315 31.264 31.700 -0.201 0.000 1.943 307 N N 1.591 120.325 118.700 0.057 0.000 2.447 307 N HA 0.122 4.878 4.740 0.028 0.000 0.263 307 N C 0.122 175.860 175.510 0.380 0.000 1.226 307 N CA 0.459 53.608 53.050 0.165 0.000 0.906 307 N CB 0.777 39.350 38.487 0.144 0.000 1.060 307 N HN 0.330 nan 8.380 nan 0.000 0.468 308 L N 2.471 123.846 121.223 0.253 0.000 2.401 308 L HA 0.457 4.814 4.340 0.028 0.000 0.266 308 L C -0.832 176.157 176.870 0.199 0.000 0.991 308 L CA -0.857 54.175 54.840 0.320 0.000 0.818 308 L CB 1.297 43.506 42.059 0.250 0.000 1.321 308 L HN 0.385 nan 8.230 nan 0.000 0.413 309 Y N 0.617 121.070 120.300 0.254 0.000 2.602 309 Y HA 0.650 5.217 4.550 0.028 0.000 0.330 309 Y C -0.120 175.906 175.900 0.209 0.000 1.114 309 Y CA -0.852 57.399 58.100 0.253 0.000 1.182 309 Y CB 1.596 40.271 38.460 0.358 0.000 1.305 309 Y HN 0.383 nan 8.280 nan 0.000 0.502 310 R N 1.054 121.789 120.500 0.393 0.000 2.439 310 R HA 0.781 5.138 4.340 0.028 0.000 0.310 310 R C -1.624 174.869 176.300 0.322 0.000 0.955 310 R CA -0.510 55.755 56.100 0.275 0.000 0.853 310 R CB 0.976 31.373 30.300 0.161 0.000 1.171 310 R HN 0.738 nan 8.270 nan 0.000 0.449 311 A N 3.926 126.887 122.820 0.235 0.000 2.276 311 A HA 0.592 4.928 4.320 0.028 0.000 0.316 311 A C -0.934 176.731 177.584 0.136 0.000 1.229 311 A CA -0.614 51.544 52.037 0.202 0.000 0.851 311 A CB 1.141 20.235 19.000 0.156 0.000 1.165 311 A HN 0.489 nan 8.150 nan 0.000 0.513 312 V N 3.751 123.748 119.914 0.138 0.000 2.384 312 V HA 0.339 4.476 4.120 0.028 0.000 0.287 312 V C -0.313 175.775 176.094 -0.010 0.000 1.020 312 V CA -0.485 61.839 62.300 0.040 0.000 0.850 312 V CB 1.527 33.387 31.823 0.062 0.000 0.987 312 V HN 0.610 nan 8.190 nan 0.000 0.436 313 V N 5.129 124.969 119.914 -0.123 0.000 2.328 313 V HA 0.407 4.544 4.120 0.028 0.000 0.278 313 V C 0.030 176.065 176.094 -0.098 0.000 1.021 313 V CA -0.545 61.648 62.300 -0.178 0.000 0.838 313 V CB 1.122 32.669 31.823 -0.461 0.000 0.999 313 V HN 0.916 nan 8.190 nan 0.000 0.447 314 E N 4.018 124.212 120.200 -0.011 0.000 2.166 314 E HA 0.540 4.907 4.350 0.028 0.000 0.275 314 E C -1.058 175.606 176.600 0.106 0.000 0.941 314 E CA -0.898 55.545 56.400 0.071 0.000 0.784 314 E CB 2.595 32.376 29.700 0.134 0.000 1.115 314 E HN 0.449 nan 8.360 nan 0.000 0.399 315 L N 4.349 125.625 121.223 0.088 0.000 2.287 315 L HA 0.422 4.779 4.340 0.028 0.000 0.287 315 L C -1.052 175.898 176.870 0.133 0.000 1.022 315 L CA 0.014 54.888 54.840 0.057 0.000 0.814 315 L CB 0.181 42.271 42.059 0.051 0.000 1.217 315 L HN 0.703 nan 8.230 nan 0.000 0.420 316 H N 0.286 119.390 119.070 0.057 0.000 2.933 316 H HA 0.782 5.354 4.556 0.028 0.000 0.310 316 H C -0.821 174.574 175.328 0.111 0.000 1.351 316 H CA -0.476 55.612 56.048 0.067 0.000 1.137 316 H CB 0.766 30.550 29.762 0.037 0.000 1.853 316 H HN 0.502 nan 8.280 nan 0.000 0.539 317 T N -2.131 112.583 114.554 0.266 0.000 2.934 317 T HA 0.564 4.930 4.350 0.028 0.000 0.283 317 T C 1.392 176.251 174.700 0.264 0.000 1.005 317 T CA -0.359 61.892 62.100 0.252 0.000 1.041 317 T CB 1.550 70.516 68.868 0.163 0.000 1.042 317 T HN 0.954 nan 8.240 nan 0.000 0.505 318 A N 1.611 124.552 122.820 0.202 0.000 1.948 318 A HA -0.127 4.210 4.320 0.028 0.000 0.220 318 A C 1.807 179.460 177.584 0.115 0.000 1.177 318 A CA 2.094 54.224 52.037 0.155 0.000 0.636 318 A CB -1.313 17.763 19.000 0.127 0.000 0.815 318 A HN 1.030 nan 8.150 nan 0.000 0.449 319 D N -2.292 118.147 120.400 0.065 0.000 2.378 319 D HA 0.271 4.927 4.640 0.028 0.000 0.222 319 D C 1.106 177.425 176.300 0.031 0.000 0.980 319 D CA 1.055 55.070 54.000 0.025 0.000 0.907 319 D CB -0.494 40.293 40.800 -0.023 0.000 0.899 319 D HN 0.895 nan 8.370 nan 0.000 0.527 320 G N -1.218 107.626 108.800 0.073 0.000 2.134 320 G HA2 -0.209 3.768 3.960 0.028 0.000 0.209 320 G HA3 -0.209 3.768 3.960 0.028 0.000 0.209 320 G C 0.086 174.992 174.900 0.011 0.000 0.993 320 G CA 0.038 45.148 45.100 0.017 0.000 0.669 320 G HN 0.394 nan 8.290 nan 0.000 0.519 321 T N 1.315 115.906 114.554 0.062 0.000 2.744 321 T HA 0.530 4.897 4.350 0.028 0.000 0.291 321 T C 0.251 175.012 174.700 0.101 0.000 0.957 321 T CA -0.312 61.819 62.100 0.052 0.000 1.002 321 T CB 1.870 70.761 68.868 0.038 0.000 0.919 321 T HN 0.628 nan 8.240 nan 0.000 0.468 322 L N 4.956 126.217 121.223 0.064 0.000 2.367 322 L HA 0.393 4.749 4.340 0.028 0.000 0.275 322 L C 0.635 177.556 176.870 0.085 0.000 1.129 322 L CA 0.343 55.236 54.840 0.088 0.000 0.839 322 L CB 0.072 42.154 42.059 0.038 0.000 1.133 322 L HN 0.710 nan 8.230 nan 0.000 0.453 323 I N 2.658 123.289 120.570 0.100 0.000 2.729 323 I HA 0.185 4.371 4.170 0.028 0.000 0.256 323 I C 0.350 176.491 176.117 0.040 0.000 1.115 323 I CA 0.404 61.744 61.300 0.067 0.000 1.446 323 I CB 0.181 38.222 38.000 0.069 0.000 1.176 323 I HN 0.821 nan 8.210 nan 0.000 0.446 324 E N 0.451 120.676 120.200 0.041 0.000 2.403 324 E HA 0.673 5.040 4.350 0.028 0.000 0.280 324 E C -1.764 174.858 176.600 0.036 0.000 1.101 324 E CA -0.988 55.427 56.400 0.025 0.000 0.856 324 E CB 1.744 31.422 29.700 -0.037 0.000 1.303 324 E HN -0.016 nan 8.360 nan 0.000 0.441 325 A N 1.474 124.342 122.820 0.080 0.000 2.449 325 A HA 0.731 5.067 4.320 0.028 0.000 0.302 325 A C -1.129 176.575 177.584 0.200 0.000 1.048 325 A CA -0.717 51.377 52.037 0.096 0.000 0.708 325 A CB 1.867 20.927 19.000 0.100 0.000 1.274 325 A HN 0.516 nan 8.150 nan 0.000 0.410 326 E N -0.417 119.828 120.200 0.075 0.000 2.393 326 E HA 0.876 5.242 4.350 0.028 0.000 0.265 326 E C -0.461 176.206 176.600 0.112 0.000 0.941 326 E CA -0.365 56.129 56.400 0.156 0.000 0.801 326 E CB 2.340 31.953 29.700 -0.146 0.000 1.313 326 E HN 1.370 nan 8.360 nan 0.000 0.435 327 A N -0.273 122.737 122.820 0.317 0.000 2.544 327 A HA 0.707 5.044 4.320 0.028 0.000 0.291 327 A C -1.258 176.561 177.584 0.392 0.000 1.055 327 A CA -0.280 51.888 52.037 0.218 0.000 0.651 327 A CB 0.574 19.613 19.000 0.064 0.000 1.296 327 A HN 0.932 nan 8.150 nan 0.000 0.431 328 C N -0.657 118.819 119.300 0.292 0.000 3.311 328 C HA 0.801 5.278 4.460 0.028 0.000 0.325 328 C C -1.530 173.566 174.990 0.176 0.000 1.352 328 C CA -0.928 58.243 59.018 0.254 0.000 1.308 328 C CB 1.132 29.025 27.740 0.255 0.000 1.619 328 C HN 0.827 nan 8.230 nan 0.000 0.469 329 D N 1.241 121.725 120.400 0.140 0.000 2.256 329 D HA 0.530 5.186 4.640 0.028 0.000 0.250 329 D C -0.346 176.011 176.300 0.095 0.000 1.093 329 D CA 0.179 54.261 54.000 0.137 0.000 0.882 329 D CB 1.928 42.809 40.800 0.136 0.000 1.185 329 D HN 0.544 nan 8.370 nan 0.000 0.437 330 V N 1.223 121.222 119.914 0.141 0.000 2.495 330 V HA 0.644 4.781 4.120 0.028 0.000 0.298 330 V C 0.642 176.811 176.094 0.125 0.000 1.031 330 V CA -0.835 61.500 62.300 0.058 0.000 0.871 330 V CB 1.966 33.810 31.823 0.035 0.000 0.988 330 V HN 0.612 nan 8.190 nan 0.000 0.432 331 G N 3.086 111.854 108.800 -0.053 0.000 2.502 331 G HA2 0.599 4.576 3.960 0.028 0.000 0.311 331 G HA3 0.599 4.576 3.960 0.028 0.000 0.311 331 G C -0.968 174.004 174.900 0.120 0.000 1.270 331 G CA -0.393 44.746 45.100 0.064 0.000 0.948 331 G HN 0.440 nan 8.290 nan 0.000 0.487 332 F N 4.222 124.356 119.950 0.306 0.000 2.468 332 F HA 0.405 4.949 4.527 0.027 0.000 0.356 332 F C 1.159 177.204 175.800 0.409 0.000 1.167 332 F CA -0.151 58.098 58.000 0.415 0.000 1.135 332 F CB 0.515 39.763 39.000 0.413 0.000 1.197 332 F HN 0.439 nan 8.300 nan 0.000 0.569 333 R N 2.883 123.674 120.500 0.485 0.000 2.663 333 R HA 0.447 4.804 4.340 0.028 0.000 0.267 333 R C -1.800 174.665 176.300 0.277 0.000 1.038 333 R CA -0.780 55.450 56.100 0.215 0.000 0.886 333 R CB 1.652 32.121 30.300 0.281 0.000 1.249 333 R HN 0.557 nan 8.270 nan 0.000 0.463 334 E N 2.032 122.316 120.200 0.140 0.000 2.199 334 E HA 0.496 4.863 4.350 0.028 0.000 0.269 334 E C -1.289 175.399 176.600 0.146 0.000 0.899 334 E CA -0.944 55.612 56.400 0.261 0.000 0.772 334 E CB 2.191 32.134 29.700 0.406 0.000 1.155 334 E HN 0.399 nan 8.360 nan 0.000 0.408 335 V N 5.341 125.330 119.914 0.124 0.000 2.444 335 V HA 0.591 4.728 4.120 0.028 0.000 0.294 335 V C -0.331 175.809 176.094 0.076 0.000 1.022 335 V CA -0.674 61.668 62.300 0.070 0.000 0.850 335 V CB 1.250 33.091 31.823 0.029 0.000 0.992 335 V HN 0.760 nan 8.190 nan 0.000 0.426 336 R N 4.176 124.717 120.500 0.069 0.000 2.692 336 R HA 0.707 5.063 4.340 0.028 0.000 0.269 336 R C -2.108 174.224 176.300 0.053 0.000 1.030 336 R CA -0.941 55.201 56.100 0.068 0.000 0.882 336 R CB 1.842 32.195 30.300 0.088 0.000 1.250 336 R HN 0.501 nan 8.270 nan 0.000 0.465 337 I N 1.318 121.919 120.570 0.051 0.000 2.339 337 I HA 0.349 4.535 4.170 0.028 0.000 0.290 337 I C -0.516 175.627 176.117 0.043 0.000 0.994 337 I CA -0.429 60.896 61.300 0.040 0.000 1.191 337 I CB 1.788 39.813 38.000 0.043 0.000 1.343 337 I HN 0.674 nan 8.210 nan 0.000 0.458 338 E N 5.819 126.041 120.200 0.037 0.000 2.263 338 E HA 0.227 4.593 4.350 0.028 0.000 0.268 338 E C -0.313 176.303 176.600 0.027 0.000 0.884 338 E CA -0.602 55.821 56.400 0.037 0.000 0.766 338 E CB 1.089 30.817 29.700 0.046 0.000 1.196 338 E HN 0.564 nan 8.360 nan 0.000 0.416 339 N N 3.317 122.032 118.700 0.026 0.000 2.721 339 N HA -0.247 4.510 4.740 0.028 0.000 0.249 339 N C 0.435 175.954 175.510 0.014 0.000 1.072 339 N CA 2.033 55.094 53.050 0.019 0.000 0.710 339 N CB -1.148 37.349 38.487 0.017 0.000 0.993 339 N HN 0.950 nan 8.380 nan 0.000 0.547 340 G N -2.255 106.554 108.800 0.016 0.000 2.176 340 G HA2 -0.277 3.700 3.960 0.028 0.000 0.253 340 G HA3 -0.277 3.700 3.960 0.028 0.000 0.253 340 G C -0.094 174.805 174.900 -0.002 0.000 0.979 340 G CA 0.462 45.568 45.100 0.009 0.000 0.641 340 G HN 0.473 nan 8.290 nan 0.000 0.530 341 L N 0.234 121.456 121.223 -0.002 0.000 2.346 341 L HA 0.675 5.031 4.340 0.028 0.000 0.276 341 L C 0.140 177.003 176.870 -0.012 0.000 1.006 341 L CA -1.330 53.501 54.840 -0.015 0.000 0.817 341 L CB 1.858 43.908 42.059 -0.016 0.000 1.272 341 L HN 0.089 nan 8.230 nan 0.000 0.421 342 L N 4.798 126.002 121.223 -0.031 0.000 2.385 342 L HA 0.374 4.731 4.340 0.028 0.000 0.281 342 L C -0.748 176.103 176.870 -0.032 0.000 1.106 342 L CA 0.498 55.320 54.840 -0.029 0.000 0.856 342 L CB 0.072 42.099 42.059 -0.053 0.000 1.186 342 L HN 0.389 nan 8.230 nan 0.000 0.453 343 L N 5.941 127.162 121.223 -0.003 0.000 2.325 343 L HA 0.545 4.902 4.340 0.028 0.000 0.278 343 L C -0.701 176.180 176.870 0.019 0.000 1.023 343 L CA -0.776 54.072 54.840 0.012 0.000 0.811 343 L CB 1.863 43.951 42.059 0.048 0.000 1.249 343 L HN 0.545 nan 8.230 nan 0.000 0.431 344 L N 3.614 124.855 121.223 0.030 0.000 2.349 344 L HA 0.480 4.836 4.340 0.028 0.000 0.278 344 L C -0.275 176.605 176.870 0.017 0.000 0.996 344 L CA -0.146 54.714 54.840 0.034 0.000 0.825 344 L CB 1.049 43.128 42.059 0.033 0.000 1.243 344 L HN 0.591 nan 8.230 nan 0.000 0.412 345 N N 4.171 122.758 118.700 -0.189 0.000 2.716 345 N HA -0.218 4.538 4.740 0.028 0.000 0.250 345 N C 0.944 176.112 175.510 -0.571 0.000 1.033 345 N CA 1.330 53.906 53.050 -0.789 0.000 0.727 345 N CB -1.119 36.811 38.487 -0.928 0.000 0.950 345 N HN 1.162 nan 8.380 nan 0.000 0.541 346 G N -1.900 106.876 108.800 -0.040 0.000 2.189 346 G HA2 -0.363 3.614 3.960 0.028 0.000 0.267 346 G HA3 -0.363 3.614 3.960 0.028 0.000 0.267 346 G C -0.053 174.888 174.900 0.068 0.000 0.975 346 G CA 0.962 46.138 45.100 0.127 0.000 0.644 346 G HN 0.408 nan 8.290 nan 0.000 0.537 347 K N 0.923 121.358 120.400 0.058 0.000 2.221 347 K HA 0.474 4.811 4.320 0.028 0.000 0.258 347 K C -2.646 173.942 176.600 -0.021 0.000 0.944 347 K CA -2.344 53.943 56.287 -0.001 0.000 0.823 347 K CB 2.484 34.922 32.500 -0.103 0.000 1.113 347 K HN 0.098 nan 8.250 nan 0.000 0.431 348 P HA 0.112 nan 4.420 nan 0.000 0.270 348 P C -0.093 177.153 177.300 -0.090 0.000 1.242 348 P CA -0.119 62.944 63.100 -0.062 0.000 0.768 348 P CB 0.458 32.122 31.700 -0.060 0.000 0.820 349 L N 3.859 125.025 121.223 -0.095 0.000 2.452 349 L HA 0.186 4.542 4.340 0.028 0.000 0.267 349 L C 0.831 177.626 176.870 -0.125 0.000 1.188 349 L CA -0.419 54.354 54.840 -0.112 0.000 0.821 349 L CB 0.269 42.219 42.059 -0.181 0.000 1.102 349 L HN 0.304 nan 8.230 nan 0.000 0.470 350 L N 4.381 125.547 121.223 -0.096 0.000 2.401 350 L HA 0.399 4.755 4.340 0.028 0.000 0.263 350 L C -0.443 176.378 176.870 -0.081 0.000 1.004 350 L CA -0.274 54.487 54.840 -0.130 0.000 0.881 350 L CB 0.781 42.791 42.059 -0.081 0.000 1.219 350 L HN 0.248 nan 8.230 nan 0.000 0.441 351 I N 4.882 125.336 120.570 -0.194 0.000 2.494 351 I HA 0.134 4.320 4.170 0.028 0.000 0.289 351 I C 0.630 176.694 176.117 -0.088 0.000 1.106 351 I CA 0.385 61.580 61.300 -0.174 0.000 1.369 351 I CB 0.052 37.831 38.000 -0.367 0.000 1.410 351 I HN 0.555 nan 8.210 nan 0.000 0.523 352 R N 4.838 125.391 120.500 0.089 0.000 3.256 352 R HA 0.436 4.792 4.340 0.028 0.000 0.263 352 R C 0.553 176.983 176.300 0.216 0.000 1.388 352 R CA -0.275 55.944 56.100 0.199 0.000 1.580 352 R CB 0.865 31.119 30.300 -0.077 0.000 1.255 352 R HN 0.761 nan 8.270 nan 0.000 0.640 353 G N -0.036 108.835 108.800 0.119 0.000 2.667 353 G HA2 0.624 4.601 3.960 0.028 0.000 0.310 353 G HA3 0.624 4.601 3.960 0.028 0.000 0.310 353 G C -1.280 173.905 174.900 0.476 0.000 1.259 353 G CA -0.468 44.727 45.100 0.160 0.000 1.019 353 G HN 0.192 nan 8.290 nan 0.000 0.496 354 V N -0.494 119.689 119.914 0.448 0.000 3.048 354 V HA 0.482 4.618 4.120 0.028 0.000 0.303 354 V C -1.378 174.853 176.094 0.229 0.000 1.214 354 V CA -1.205 61.261 62.300 0.276 0.000 0.984 354 V CB 2.256 33.970 31.823 -0.181 0.000 1.054 354 V HN 0.745 nan 8.190 nan 0.000 0.430 355 N N 4.050 122.795 118.700 0.075 0.000 2.499 355 N HA 0.468 5.225 4.740 0.028 0.000 0.281 355 N C -0.752 174.553 175.510 -0.342 0.000 1.098 355 N CA -0.295 52.656 53.050 -0.165 0.000 0.979 355 N CB 1.510 39.861 38.487 -0.226 0.000 1.121 355 N HN 0.658 nan 8.380 nan 0.000 0.466 356 R N 2.049 122.316 120.500 -0.388 0.000 2.510 356 R HA 0.209 4.565 4.340 0.028 0.000 0.294 356 R C -1.062 174.995 176.300 -0.405 0.000 1.056 356 R CA -0.544 55.352 56.100 -0.341 0.000 0.918 356 R CB 0.800 30.896 30.300 -0.340 0.000 1.187 356 R HN 0.588 nan 8.270 nan 0.000 0.437 357 H N 2.088 121.009 119.070 -0.249 0.000 2.505 357 H HA 0.145 4.718 4.556 0.028 0.000 0.355 357 H C -0.439 174.877 175.328 -0.020 0.000 1.179 357 H CA 0.026 56.011 56.048 -0.105 0.000 1.343 357 H CB 1.462 31.225 29.762 0.002 0.000 1.501 357 H HN 0.560 nan 8.280 nan 0.000 0.569 358 E N 1.954 122.331 120.200 0.294 0.000 1.893 358 E HA 0.087 4.453 4.350 0.028 0.000 0.269 358 E C -0.657 176.086 176.600 0.238 0.000 1.129 358 E CA -0.037 56.466 56.400 0.172 0.000 0.904 358 E CB 0.188 30.007 29.700 0.199 0.000 1.077 358 E HN 0.363 nan 8.360 nan 0.000 0.407 359 H N 1.568 120.695 119.070 0.096 0.000 2.679 359 H HA 0.270 4.842 4.556 0.028 0.000 0.360 359 H C -1.510 173.867 175.328 0.083 0.000 1.105 359 H CA -0.669 55.430 56.048 0.084 0.000 1.196 359 H CB 1.069 30.870 29.762 0.064 0.000 1.636 359 H HN 0.365 nan 8.280 nan 0.000 0.531 360 H N 6.283 124.995 119.070 -0.596 0.000 2.689 360 H HA 0.202 4.774 4.556 0.028 0.000 0.346 360 H C -2.247 172.725 175.328 -0.593 0.000 1.037 360 H CA -2.389 53.430 56.048 -0.382 0.000 1.234 360 H CB 2.699 32.367 29.762 -0.158 0.000 1.572 360 H HN 0.557 nan 8.280 nan 0.000 0.524 361 P HA -0.100 nan 4.420 nan 0.000 0.219 361 P C 1.090 178.297 177.300 -0.155 0.000 1.146 361 P CA 0.882 63.862 63.100 -0.200 0.000 0.808 361 P CB 0.903 32.513 31.700 -0.151 0.000 0.779 362 L N -1.788 119.435 121.223 0.000 0.000 2.445 362 L HA 0.121 4.478 4.340 0.028 0.000 0.207 362 L C 2.389 179.049 176.870 -0.350 0.000 1.053 362 L CA 0.520 55.217 54.840 -0.240 0.000 0.841 362 L CB -0.675 41.148 42.059 -0.393 0.000 1.074 362 L HN -0.014 nan 8.230 nan 0.000 0.479 363 H N 0.077 119.051 119.070 -0.160 0.000 2.539 363 H HA 0.269 4.841 4.556 0.028 0.000 0.269 363 H C 1.427 176.626 175.328 -0.214 0.000 0.980 363 H CA 0.656 56.556 56.048 -0.247 0.000 1.152 363 H CB 0.343 29.862 29.762 -0.405 0.000 1.407 363 H HN 0.401 nan 8.280 nan 0.000 0.564 364 G N 1.632 110.325 108.800 -0.179 0.000 2.609 364 G HA2 -0.350 3.627 3.960 0.028 0.000 0.288 364 G HA3 -0.350 3.627 3.960 0.028 0.000 0.288 364 G C 0.678 175.474 174.900 -0.173 0.000 1.211 364 G CA 0.353 45.299 45.100 -0.257 0.000 0.963 364 G HN 0.458 nan 8.290 nan 0.000 0.541 365 Q N 0.030 119.769 119.800 -0.101 0.000 2.172 365 Q HA 0.490 4.847 4.340 0.028 0.000 0.217 365 Q C -0.025 176.075 176.000 0.166 0.000 0.832 365 Q CA -0.136 55.666 55.803 -0.001 0.000 1.010 365 Q CB 1.706 30.357 28.738 -0.145 0.000 1.133 365 Q HN 0.344 nan 8.270 nan 0.000 0.489 366 V N 2.210 122.187 119.914 0.105 0.000 2.406 366 V HA 0.209 4.345 4.120 0.028 0.000 0.272 366 V C 0.108 176.242 176.094 0.067 0.000 1.043 366 V CA -0.026 62.336 62.300 0.103 0.000 0.915 366 V CB 0.957 32.776 31.823 -0.007 0.000 0.988 366 V HN 0.343 nan 8.190 nan 0.000 0.466 367 M N 5.451 125.101 119.600 0.084 0.000 2.318 367 M HA 0.478 4.975 4.480 0.028 0.000 0.347 367 M C -0.288 175.965 176.300 -0.079 0.000 1.175 367 M CA -0.508 54.803 55.300 0.018 0.000 1.075 367 M CB 1.650 34.243 32.600 -0.012 0.000 1.614 367 M HN 0.813 nan 8.290 nan 0.000 0.456 368 D N 0.513 120.881 120.400 -0.055 0.000 2.490 368 D HA 0.219 4.875 4.640 0.028 0.000 0.232 368 D C 0.155 176.430 176.300 -0.042 0.000 1.053 368 D CA -0.465 53.497 54.000 -0.064 0.000 0.914 368 D CB 1.760 42.549 40.800 -0.017 0.000 1.431 368 D HN 0.708 nan 8.370 nan 0.000 0.483 369 E N 0.206 120.390 120.200 -0.027 0.000 2.085 369 E HA -0.282 4.084 4.350 0.028 0.000 0.194 369 E C 1.808 178.449 176.600 0.067 0.000 0.994 369 E CA 1.286 57.701 56.400 0.025 0.000 0.801 369 E CB 0.157 29.886 29.700 0.048 0.000 0.743 369 E HN 0.561 nan 8.360 nan 0.000 0.453 370 Q N -0.322 119.520 119.800 0.069 0.000 2.077 370 Q HA -0.178 4.178 4.340 0.028 0.000 0.206 370 Q C 1.998 178.058 176.000 0.099 0.000 0.989 370 Q CA 2.436 58.290 55.803 0.085 0.000 0.853 370 Q CB -0.060 28.730 28.738 0.088 0.000 0.907 370 Q HN 0.276 nan 8.270 nan 0.000 0.418 371 T N 0.716 115.341 114.554 0.118 0.000 2.821 371 T HA -0.110 4.256 4.350 0.028 0.000 0.267 371 T C 1.781 176.560 174.700 0.131 0.000 1.046 371 T CA 1.396 63.576 62.100 0.132 0.000 1.139 371 T CB -0.118 68.859 68.868 0.181 0.000 0.871 371 T HN 0.306 nan 8.240 nan 0.000 0.454 372 M N 0.524 120.207 119.600 0.138 0.000 2.117 372 M HA -0.075 4.421 4.480 0.028 0.000 0.262 372 M C 2.444 178.862 176.300 0.197 0.000 1.065 372 M CA 1.277 56.728 55.300 0.252 0.000 1.114 372 M CB -0.531 32.245 32.600 0.294 0.000 1.361 372 M HN 0.100 nan 8.290 nan 0.000 0.408 373 V N 0.223 120.193 119.914 0.093 0.000 2.358 373 V HA -0.283 3.854 4.120 0.028 0.000 0.246 373 V C 2.312 178.381 176.094 -0.042 0.000 1.047 373 V CA 2.006 64.293 62.300 -0.023 0.000 1.035 373 V CB -0.857 30.991 31.823 0.041 0.000 0.658 373 V HN 0.555 nan 8.190 nan 0.000 0.452 374 Q N -0.174 119.653 119.800 0.045 0.000 2.096 374 Q HA -0.271 4.085 4.340 0.028 0.000 0.204 374 Q C 1.943 178.007 176.000 0.106 0.000 0.982 374 Q CA 2.198 58.043 55.803 0.070 0.000 0.850 374 Q CB -0.139 28.655 28.738 0.093 0.000 0.901 374 Q HN 0.617 nan 8.270 nan 0.000 0.422 375 D N 0.388 120.871 120.400 0.139 0.000 2.097 375 D HA -0.137 4.519 4.640 0.028 0.000 0.195 375 D C 1.968 178.223 176.300 -0.074 0.000 0.989 375 D CA 1.189 55.281 54.000 0.152 0.000 0.827 375 D CB -0.212 40.659 40.800 0.119 0.000 0.966 375 D HN 0.372 nan 8.370 nan 0.000 0.456 376 I N 0.719 121.233 120.570 -0.093 0.000 2.208 376 I HA -0.247 3.940 4.170 0.028 0.000 0.245 376 I C 2.455 178.438 176.117 -0.223 0.000 1.097 376 I CA 0.703 61.852 61.300 -0.251 0.000 1.363 376 I CB -0.203 37.539 38.000 -0.431 0.000 1.051 376 I HN -0.002 nan 8.210 nan 0.000 0.413 377 L N 0.155 121.277 121.223 -0.168 0.000 2.017 377 L HA -0.231 4.126 4.340 0.028 0.000 0.208 377 L C 2.568 179.494 176.870 0.093 0.000 1.073 377 L CA 1.428 56.250 54.840 -0.030 0.000 0.745 377 L CB -0.549 41.504 42.059 -0.009 0.000 0.894 377 L HN 0.274 nan 8.230 nan 0.000 0.432 378 L N -1.085 120.217 121.223 0.132 0.000 2.131 378 L HA -0.230 4.127 4.340 0.028 0.000 0.210 378 L C 2.636 179.678 176.870 0.286 0.000 1.092 378 L CA 1.212 56.214 54.840 0.271 0.000 0.759 378 L CB -0.265 42.054 42.059 0.433 0.000 0.903 378 L HN 0.316 nan 8.230 nan 0.000 0.435 379 M N -0.680 118.926 119.600 0.011 0.000 2.077 379 M HA -0.208 4.289 4.480 0.028 0.000 0.261 379 M C 2.260 178.651 176.300 0.151 0.000 1.070 379 M CA 1.834 57.066 55.300 -0.113 0.000 1.125 379 M CB -0.230 32.074 32.600 -0.493 0.000 1.339 379 M HN 0.055 nan 8.290 nan 0.000 0.409 380 K N -0.129 120.273 120.400 0.004 0.000 2.148 380 K HA -0.143 4.193 4.320 0.028 0.000 0.204 380 K C 1.949 178.583 176.600 0.056 0.000 1.050 380 K CA 1.092 57.297 56.287 -0.137 0.000 0.942 380 K CB -0.158 32.065 32.500 -0.463 0.000 0.724 380 K HN 0.422 nan 8.250 nan 0.000 0.446 381 Q N 0.457 120.435 119.800 0.297 0.000 2.224 381 Q HA -0.039 4.317 4.340 0.028 0.000 0.203 381 Q C 0.767 177.072 176.000 0.509 0.000 0.970 381 Q CA 0.793 56.865 55.803 0.448 0.000 0.865 381 Q CB 0.160 29.095 28.738 0.329 0.000 0.922 381 Q HN 0.255 nan 8.270 nan 0.000 0.445 382 N N 0.753 119.703 118.700 0.417 0.000 2.321 382 N HA 0.055 4.812 4.740 0.028 0.000 0.242 382 N C -0.722 174.903 175.510 0.190 0.000 1.141 382 N CA 0.016 53.299 53.050 0.388 0.000 0.864 382 N CB 0.646 39.442 38.487 0.515 0.000 1.100 382 N HN 0.158 nan 8.380 nan 0.000 0.510 383 N N 0.251 119.069 118.700 0.196 0.000 2.747 383 N HA -0.198 4.559 4.740 0.028 0.000 0.249 383 N C -0.950 174.493 175.510 -0.111 0.000 1.107 383 N CA 0.898 54.010 53.050 0.104 0.000 0.707 383 N CB -1.707 36.737 38.487 -0.071 0.000 1.054 383 N HN 0.279 nan 8.380 nan 0.000 0.555 384 F N 0.848 120.825 119.950 0.045 0.000 2.399 384 F HA 0.344 4.887 4.527 0.027 0.000 0.334 384 F C 1.644 177.437 175.800 -0.013 0.000 1.097 384 F CA -0.740 57.268 58.000 0.013 0.000 1.076 384 F CB 1.004 39.989 39.000 -0.026 0.000 1.162 384 F HN 0.031 nan 8.300 nan 0.000 0.495 385 N N 0.882 119.694 118.700 0.188 0.000 2.194 385 N HA 0.455 5.212 4.740 0.028 0.000 0.231 385 N C -0.965 174.583 175.510 0.063 0.000 1.247 385 N CA -0.074 53.001 53.050 0.041 0.000 0.884 385 N CB 0.774 39.318 38.487 0.096 0.000 1.146 385 N HN 0.487 nan 8.380 nan 0.000 0.516 386 A N -0.587 122.348 122.820 0.192 0.000 2.604 386 A HA 0.748 5.085 4.320 0.028 0.000 0.295 386 A C -1.792 176.015 177.584 0.372 0.000 1.067 386 A CA -0.688 51.533 52.037 0.307 0.000 0.683 386 A CB 1.806 21.015 19.000 0.347 0.000 1.281 386 A HN 0.249 nan 8.150 nan 0.000 0.407 387 V N 1.299 121.488 119.914 0.459 0.000 2.888 387 V HA 0.808 4.944 4.120 0.028 0.000 0.309 387 V C -0.728 175.507 176.094 0.236 0.000 1.114 387 V CA -0.706 61.812 62.300 0.364 0.000 0.940 387 V CB 1.929 33.900 31.823 0.247 0.000 1.021 387 V HN 1.107 nan 8.190 nan 0.000 0.426 388 R N 4.820 125.297 120.500 -0.038 0.000 2.387 388 R HA 0.488 4.844 4.340 0.028 0.000 0.314 388 R C -0.835 175.325 176.300 -0.233 0.000 0.958 388 R CA -0.509 55.386 56.100 -0.341 0.000 0.846 388 R CB 1.223 31.078 30.300 -0.742 0.000 1.147 388 R HN 0.813 nan 8.270 nan 0.000 0.447 389 C N 4.228 123.426 119.300 -0.171 0.000 3.183 389 C HA 0.110 4.587 4.460 0.028 0.000 0.545 389 C C 0.698 175.423 174.990 -0.442 0.000 1.044 389 C CA -0.470 58.403 59.018 -0.243 0.000 1.117 389 C CB -2.030 25.687 27.740 -0.038 0.000 1.393 389 C HN 0.694 nan 8.230 nan 0.000 0.611 390 S N 1.490 116.797 115.700 -0.654 0.000 2.465 390 S HA 0.173 4.660 4.470 0.028 0.000 0.280 390 S C -0.167 173.549 174.600 -1.473 0.000 1.232 390 S CA 0.203 57.745 58.200 -1.096 0.000 1.066 390 S CB 0.050 62.554 63.200 -1.160 0.000 0.929 390 S HN 0.728 nan 8.310 nan 0.000 0.494 391 H N 3.977 122.458 119.070 -0.983 0.000 2.439 391 H HA 0.321 4.893 4.556 0.027 0.000 0.228 391 H C -1.169 174.058 175.328 -0.169 0.000 1.423 391 H CA -0.346 55.507 56.048 -0.325 0.000 1.386 391 H CB -0.038 29.726 29.762 0.003 0.000 1.641 391 H HN 0.893 nan 8.280 nan 0.000 0.508 392 Y N -2.766 117.642 120.300 0.180 0.000 2.786 392 Y HA 0.348 4.915 4.550 0.028 0.000 0.365 392 Y C -3.420 172.590 175.900 0.183 0.000 1.171 392 Y CA -2.939 55.274 58.100 0.188 0.000 1.214 392 Y CB -0.055 38.525 38.460 0.200 0.000 1.411 392 Y HN -0.054 nan 8.280 nan 0.000 0.485 393 P HA 0.174 nan 4.420 nan 0.000 0.268 393 P C -0.667 176.924 177.300 0.485 0.000 1.204 393 P CA 0.365 63.722 63.100 0.428 0.000 0.768 393 P CB 0.577 32.452 31.700 0.293 0.000 0.842 394 N N 0.822 119.822 118.700 0.500 0.000 2.413 394 N HA 0.095 4.851 4.740 0.028 0.000 0.266 394 N C 0.024 175.761 175.510 0.378 0.000 1.238 394 N CA -0.344 52.902 53.050 0.328 0.000 0.972 394 N CB 0.029 38.498 38.487 -0.030 0.000 1.210 394 N HN 0.476 nan 8.380 nan 0.000 0.547 395 H N 2.029 121.194 119.070 0.158 0.000 3.064 395 H HA -0.021 4.551 4.556 0.027 0.000 0.329 395 H C -1.513 173.978 175.328 0.271 0.000 1.020 395 H CA -0.728 55.403 56.048 0.139 0.000 1.402 395 H CB 0.833 30.645 29.762 0.084 0.000 1.379 395 H HN 0.433 nan 8.280 nan 0.000 0.594 396 P HA -0.201 nan 4.420 nan 0.000 0.218 396 P C 1.758 179.356 177.300 0.498 0.000 1.148 396 P CA 0.674 64.025 63.100 0.419 0.000 0.822 396 P CB 0.264 32.064 31.700 0.167 0.000 0.784 397 L N -0.915 120.665 121.223 0.595 0.000 2.201 397 L HA -0.035 4.321 4.340 0.028 0.000 0.212 397 L C 2.415 179.437 176.870 0.254 0.000 1.105 397 L CA 1.309 56.367 54.840 0.363 0.000 0.775 397 L CB -1.514 40.693 42.059 0.248 0.000 0.913 397 L HN 0.014 nan 8.230 nan 0.000 0.440 398 W N -0.433 120.880 121.300 0.021 0.000 2.318 398 W HA -0.342 4.334 4.660 0.027 0.000 0.313 398 W C 2.103 178.457 176.519 -0.274 0.000 1.221 398 W CA 1.983 59.208 57.345 -0.200 0.000 1.266 398 W CB -0.389 28.841 29.460 -0.384 0.000 1.150 398 W HN 0.264 nan 8.180 nan 0.000 0.496 399 Y N 0.768 120.993 120.300 -0.125 0.000 2.224 399 Y HA -0.211 4.355 4.550 0.027 0.000 0.289 399 Y C 2.851 178.536 175.900 -0.358 0.000 1.146 399 Y CA 2.149 59.975 58.100 -0.457 0.000 1.182 399 Y CB -1.277 36.603 38.460 -0.966 0.000 0.983 399 Y HN -0.207 nan 8.280 nan 0.000 0.524 400 T N 0.606 115.164 114.554 0.008 0.000 2.746 400 T HA -0.151 4.215 4.350 0.028 0.000 0.267 400 T C 1.994 176.725 174.700 0.051 0.000 1.039 400 T CA 1.387 63.565 62.100 0.129 0.000 1.142 400 T CB -0.511 68.476 68.868 0.198 0.000 0.866 400 T HN 0.236 nan 8.240 nan 0.000 0.444 401 L N 0.274 121.483 121.223 -0.023 0.000 2.056 401 L HA -0.069 4.288 4.340 0.028 0.000 0.207 401 L C 2.847 179.691 176.870 -0.043 0.000 1.078 401 L CA 0.872 55.721 54.840 0.015 0.000 0.749 401 L CB -0.683 41.358 42.059 -0.031 0.000 0.901 401 L HN 0.357 nan 8.230 nan 0.000 0.433 402 C N -0.262 118.850 119.300 -0.314 0.000 2.435 402 C HA -0.130 4.347 4.460 0.028 0.000 0.279 402 C C 2.392 177.427 174.990 0.075 0.000 1.321 402 C CA 0.331 59.200 59.018 -0.249 0.000 1.752 402 C CB -0.790 26.678 27.740 -0.453 0.000 1.959 402 C HN 0.530 nan 8.230 nan 0.000 0.500 403 D N 0.604 121.052 120.400 0.081 0.000 2.097 403 D HA -0.092 4.565 4.640 0.028 0.000 0.195 403 D C 2.418 178.925 176.300 0.344 0.000 0.989 403 D CA 1.233 55.352 54.000 0.200 0.000 0.827 403 D CB -0.309 40.566 40.800 0.124 0.000 0.966 403 D HN 0.505 nan 8.370 nan 0.000 0.456 404 R N -0.968 119.628 120.500 0.160 0.000 2.093 404 R HA -0.020 4.337 4.340 0.028 0.000 0.224 404 R C 2.106 178.385 176.300 -0.035 0.000 1.101 404 R CA 0.630 56.761 56.100 0.052 0.000 0.979 404 R CB -0.177 30.075 30.300 -0.080 0.000 0.877 404 R HN 0.259 nan 8.270 nan 0.000 0.441 405 Y N -0.037 120.278 120.300 0.024 0.000 2.475 405 Y HA 0.190 4.756 4.550 0.027 0.000 0.289 405 Y C 1.011 176.840 175.900 -0.118 0.000 1.121 405 Y CA 0.862 58.946 58.100 -0.026 0.000 1.257 405 Y CB 0.501 38.921 38.460 -0.068 0.000 1.026 405 Y HN 0.236 nan 8.280 nan 0.000 0.555 406 G N 1.143 109.972 108.800 0.048 0.000 2.858 406 G HA2 -0.148 3.829 3.960 0.028 0.000 0.266 406 G HA3 -0.148 3.829 3.960 0.028 0.000 0.266 406 G C -1.123 173.604 174.900 -0.288 0.000 1.023 406 G CA -0.432 44.555 45.100 -0.189 0.000 1.172 406 G HN 0.173 nan 8.290 nan 0.000 0.523 407 L N 1.336 122.465 121.223 -0.157 0.000 2.482 407 L HA 0.434 4.790 4.340 0.028 0.000 0.263 407 L C -0.494 176.380 176.870 0.007 0.000 0.957 407 L CA -1.316 53.402 54.840 -0.202 0.000 0.836 407 L CB 1.885 43.847 42.059 -0.162 0.000 1.324 407 L HN 0.378 nan 8.230 nan 0.000 0.406 408 Y N 2.246 122.665 120.300 0.198 0.000 2.402 408 Y HA 0.357 4.926 4.550 0.031 0.000 0.333 408 Y C 0.319 176.351 175.900 0.219 0.000 1.076 408 Y CA -0.529 57.726 58.100 0.259 0.000 1.299 408 Y CB 0.908 39.503 38.460 0.226 0.000 1.197 408 Y HN 0.105 nan 8.280 nan 0.000 0.517 409 V N 4.248 124.355 119.914 0.321 0.000 2.581 409 V HA 0.433 4.570 4.120 0.028 0.000 0.303 409 V C -0.495 175.684 176.094 0.142 0.000 1.041 409 V CA -1.065 61.365 62.300 0.217 0.000 0.907 409 V CB 1.984 33.905 31.823 0.163 0.000 0.994 409 V HN 0.456 nan 8.190 nan 0.000 0.442 410 V N 3.108 123.076 119.914 0.089 0.000 2.313 410 V HA 0.307 4.443 4.120 0.028 0.000 0.278 410 V C -0.330 175.802 176.094 0.064 0.000 1.017 410 V CA -0.448 61.857 62.300 0.007 0.000 0.823 410 V CB 1.377 33.101 31.823 -0.166 0.000 1.010 410 V HN 0.888 nan 8.190 nan 0.000 0.443 411 D N 4.177 124.646 120.400 0.116 0.000 2.325 411 D HA 0.223 4.879 4.640 0.028 0.000 0.251 411 D C -0.098 176.391 176.300 0.316 0.000 1.196 411 D CA 0.084 54.249 54.000 0.274 0.000 0.866 411 D CB 1.066 42.050 40.800 0.307 0.000 1.101 411 D HN 0.680 nan 8.370 nan 0.000 0.476 412 E N 2.106 122.457 120.200 0.251 0.000 2.171 412 E HA 0.596 4.962 4.350 0.028 0.000 0.271 412 E C -0.937 175.804 176.600 0.236 0.000 0.916 412 E CA -1.070 55.465 56.400 0.225 0.000 0.774 412 E CB 1.252 31.039 29.700 0.144 0.000 1.128 412 E HN 0.472 nan 8.360 nan 0.000 0.403 413 A N 3.981 126.930 122.820 0.215 0.000 2.498 413 A HA 0.038 4.375 4.320 0.028 0.000 0.239 413 A C 0.339 178.049 177.584 0.210 0.000 1.068 413 A CA -0.221 51.922 52.037 0.177 0.000 0.766 413 A CB 0.122 19.186 19.000 0.106 0.000 1.003 413 A HN 0.717 nan 8.150 nan 0.000 0.497 414 N N 1.412 120.248 118.700 0.226 0.000 2.971 414 N HA 0.240 4.997 4.740 0.028 0.000 0.294 414 N C -0.998 174.643 175.510 0.218 0.000 1.210 414 N CA 0.258 53.477 53.050 0.282 0.000 1.157 414 N CB -0.844 37.810 38.487 0.279 0.000 1.450 414 N HN 0.479 nan 8.380 nan 0.000 0.527 415 I N 0.998 121.688 120.570 0.200 0.000 2.529 415 I HA 0.253 4.440 4.170 0.028 0.000 0.284 415 I C -0.684 175.527 176.117 0.156 0.000 1.088 415 I CA -0.636 60.759 61.300 0.160 0.000 1.062 415 I CB 1.727 39.790 38.000 0.105 0.000 1.218 415 I HN 0.248 nan 8.210 nan 0.000 0.442 416 E N 4.388 124.678 120.200 0.151 0.000 2.294 416 E HA 0.361 4.728 4.350 0.028 0.000 0.272 416 E C -0.644 176.019 176.600 0.105 0.000 0.896 416 E CA -0.522 55.939 56.400 0.102 0.000 0.802 416 E CB 1.569 31.315 29.700 0.076 0.000 1.267 416 E HN 0.570 nan 8.360 nan 0.000 0.406 417 T N 0.758 115.365 114.554 0.088 0.000 3.374 417 T HA 0.176 4.543 4.350 0.028 0.000 0.267 417 T C 0.841 175.589 174.700 0.081 0.000 0.996 417 T CA -0.350 61.825 62.100 0.126 0.000 0.977 417 T CB -0.267 68.656 68.868 0.092 0.000 1.149 417 T HN 0.672 nan 8.240 nan 0.000 0.517 418 H N 1.284 120.277 119.070 -0.128 0.000 2.353 418 H HA -0.058 4.515 4.556 0.029 0.000 0.298 418 H C 2.351 177.557 175.328 -0.203 0.000 1.103 418 H CA 1.272 57.215 56.048 -0.175 0.000 1.293 418 H CB -0.197 29.432 29.762 -0.222 0.000 1.372 418 H HN 0.596 nan 8.280 nan 0.000 0.501 419 G N 0.298 108.940 108.800 -0.265 0.000 2.708 419 G HA2 -0.088 3.889 3.960 0.028 0.000 0.210 419 G HA3 -0.088 3.889 3.960 0.028 0.000 0.210 419 G C 0.483 175.481 174.900 0.162 0.000 1.141 419 G CA -0.034 44.926 45.100 -0.234 0.000 0.788 419 G HN 0.157 nan 8.290 nan 0.000 0.531 420 M N 0.234 119.965 119.600 0.218 0.000 2.228 420 M HA 0.347 4.844 4.480 0.028 0.000 0.326 420 M C -0.386 175.949 176.300 0.057 0.000 1.122 420 M CA -0.462 54.928 55.300 0.150 0.000 1.161 420 M CB 1.442 34.088 32.600 0.077 0.000 1.437 420 M HN -0.203 nan 8.290 nan 0.000 0.465 421 V N 3.827 123.756 119.914 0.025 0.000 2.419 421 V HA 0.356 4.493 4.120 0.028 0.000 0.287 421 V C -1.952 174.137 176.094 -0.007 0.000 1.017 421 V CA -1.218 61.084 62.300 0.003 0.000 0.844 421 V CB 1.538 33.358 31.823 -0.005 0.000 1.011 421 V HN 0.732 nan 8.190 nan 0.000 0.429 422 P HA 0.294 nan 4.420 nan 0.000 0.279 422 P C 1.013 178.319 177.300 0.010 0.000 1.282 422 P CA -0.593 62.508 63.100 0.001 0.000 0.788 422 P CB 1.260 32.962 31.700 0.004 0.000 1.139 423 M N 0.441 120.053 119.600 0.019 0.000 2.202 423 M HA -0.162 4.335 4.480 0.028 0.000 0.262 423 M C 1.269 177.591 176.300 0.036 0.000 1.063 423 M CA 1.804 57.124 55.300 0.032 0.000 1.097 423 M CB -0.473 32.138 32.600 0.018 0.000 1.382 423 M HN 0.361 nan 8.290 nan 0.000 0.413 424 N N -0.147 118.577 118.700 0.040 0.000 2.313 424 N HA -0.068 4.689 4.740 0.028 0.000 0.207 424 N C 1.115 176.613 175.510 -0.021 0.000 1.141 424 N CA 0.141 53.216 53.050 0.042 0.000 0.830 424 N CB -0.698 37.844 38.487 0.092 0.000 1.008 424 N HN 0.372 nan 8.380 nan 0.000 0.481 425 R N 0.332 120.804 120.500 -0.047 0.000 2.105 425 R HA 0.021 4.377 4.340 0.028 0.000 0.239 425 R C 1.375 177.578 176.300 -0.161 0.000 1.135 425 R CA 1.215 57.264 56.100 -0.085 0.000 0.967 425 R CB 0.029 30.276 30.300 -0.089 0.000 0.861 425 R HN 0.284 nan 8.270 nan 0.000 0.442 426 L N -0.806 120.259 121.223 -0.262 0.000 2.221 426 L HA 0.013 4.370 4.340 0.028 0.000 0.202 426 L C 2.458 179.180 176.870 -0.246 0.000 1.074 426 L CA 1.190 55.750 54.840 -0.466 0.000 0.795 426 L CB -0.440 41.090 42.059 -0.882 0.000 0.960 426 L HN 0.314 nan 8.230 nan 0.000 0.458 427 T N -4.183 110.255 114.554 -0.193 0.000 3.051 427 T HA -0.165 4.201 4.350 0.028 0.000 0.269 427 T C 1.196 175.792 174.700 -0.174 0.000 1.127 427 T CA 1.266 63.231 62.100 -0.224 0.000 1.107 427 T CB -0.211 68.457 68.868 -0.334 0.000 0.898 427 T HN 0.128 nan 8.240 nan 0.000 0.517 428 D N 0.828 121.176 120.400 -0.088 0.000 2.363 428 D HA 0.123 4.780 4.640 0.028 0.000 0.214 428 D C -0.398 175.892 176.300 -0.017 0.000 1.093 428 D CA -0.302 53.672 54.000 -0.045 0.000 0.837 428 D CB 0.004 40.802 40.800 -0.005 0.000 0.948 428 D HN 0.287 nan 8.370 nan 0.000 0.507 429 D N 0.061 120.458 120.400 -0.004 0.000 2.329 429 D HA 0.135 4.792 4.640 0.028 0.000 0.232 429 D C -1.570 174.778 176.300 0.080 0.000 1.088 429 D CA -2.262 51.771 54.000 0.054 0.000 0.835 429 D CB 2.039 42.907 40.800 0.112 0.000 1.078 429 D HN -0.012 nan 8.370 nan 0.000 0.495 430 P HA -0.143 nan 4.420 nan 0.000 0.221 430 P C 0.943 178.248 177.300 0.008 0.000 1.145 430 P CA 0.666 63.775 63.100 0.015 0.000 0.795 430 P CB 0.398 32.098 31.700 0.000 0.000 0.775 431 R N -1.505 119.009 120.500 0.023 0.000 2.189 431 R HA -0.087 4.270 4.340 0.028 0.000 0.223 431 R C 1.539 177.724 176.300 -0.191 0.000 1.092 431 R CA 1.188 57.239 56.100 -0.082 0.000 0.989 431 R CB -0.560 29.689 30.300 -0.086 0.000 0.876 431 R HN 0.352 nan 8.270 nan 0.000 0.457 432 W N -0.050 121.192 121.300 -0.096 0.000 3.220 432 W HA 0.146 4.822 4.660 0.027 0.000 0.328 432 W C 1.505 177.959 176.519 -0.108 0.000 1.205 432 W CA -0.589 56.697 57.345 -0.099 0.000 1.773 432 W CB 0.005 29.404 29.460 -0.102 0.000 1.086 432 W HN -0.013 nan 8.180 nan 0.000 0.622 433 L N 2.199 123.448 121.223 0.044 0.000 2.012 433 L HA -0.049 4.308 4.340 0.028 0.000 0.210 433 L C -0.689 176.142 176.870 -0.064 0.000 1.073 433 L CA 2.305 57.129 54.840 -0.027 0.000 0.748 433 L CB -1.677 40.355 42.059 -0.046 0.000 0.891 433 L HN -0.227 nan 8.230 nan 0.000 0.431 434 P HA -0.183 nan 4.420 nan 0.000 0.213 434 P C 1.641 178.884 177.300 -0.095 0.000 1.170 434 P CA 2.287 65.322 63.100 -0.108 0.000 0.902 434 P CB -0.251 31.375 31.700 -0.123 0.000 0.789 435 A N -1.249 121.527 122.820 -0.072 0.000 1.940 435 A HA -0.224 4.112 4.320 0.028 0.000 0.219 435 A C 2.214 179.809 177.584 0.018 0.000 1.176 435 A CA 2.052 54.080 52.037 -0.014 0.000 0.631 435 A CB -1.473 17.547 19.000 0.033 0.000 0.814 435 A HN 0.129 nan 8.150 nan 0.000 0.446 436 M N 0.056 119.669 119.600 0.021 0.000 2.156 436 M HA -0.130 4.367 4.480 0.028 0.000 0.264 436 M C 2.545 178.781 176.300 -0.106 0.000 1.067 436 M CA 1.695 56.982 55.300 -0.021 0.000 1.131 436 M CB -0.349 32.219 32.600 -0.053 0.000 1.368 436 M HN 0.646 nan 8.290 nan 0.000 0.416 437 S N 0.148 115.753 115.700 -0.158 0.000 2.382 437 S HA -0.168 4.319 4.470 0.028 0.000 0.228 437 S C 1.630 176.046 174.600 -0.307 0.000 1.027 437 S CA 1.360 59.392 58.200 -0.279 0.000 0.991 437 S CB -0.573 62.440 63.200 -0.311 0.000 0.823 437 S HN 0.505 nan 8.310 nan 0.000 0.469 438 E N 0.943 121.022 120.200 -0.202 0.000 2.150 438 E HA -0.027 4.339 4.350 0.028 0.000 0.193 438 E C 2.387 178.901 176.600 -0.143 0.000 0.985 438 E CA 0.676 56.969 56.400 -0.178 0.000 0.814 438 E CB -0.053 29.578 29.700 -0.115 0.000 0.752 438 E HN 0.560 nan 8.360 nan 0.000 0.466 439 R N -0.167 120.276 120.500 -0.095 0.000 2.148 439 R HA -0.043 4.314 4.340 0.028 0.000 0.223 439 R C 2.167 178.426 176.300 -0.069 0.000 1.088 439 R CA 0.549 56.625 56.100 -0.040 0.000 0.985 439 R CB 0.167 30.481 30.300 0.023 0.000 0.880 439 R HN 0.018 nan 8.270 nan 0.000 0.451 440 V N 0.089 119.914 119.914 -0.147 0.000 2.374 440 V HA -0.165 3.972 4.120 0.028 0.000 0.241 440 V C 2.447 178.368 176.094 -0.288 0.000 1.034 440 V CA 2.078 64.271 62.300 -0.178 0.000 1.037 440 V CB -0.237 31.473 31.823 -0.188 0.000 0.682 440 V HN 0.489 nan 8.190 nan 0.000 0.463 441 T N -0.702 113.551 114.554 -0.503 0.000 2.746 441 T HA -0.248 4.119 4.350 0.028 0.000 0.267 441 T C 1.923 176.477 174.700 -0.243 0.000 1.039 441 T CA 1.446 63.167 62.100 -0.631 0.000 1.142 441 T CB -0.408 67.894 68.868 -0.943 0.000 0.866 441 T HN 0.381 nan 8.240 nan 0.000 0.444 442 R N 0.117 120.493 120.500 -0.207 0.000 2.189 442 R HA 0.254 4.610 4.340 0.028 0.000 0.218 442 R C 2.566 178.791 176.300 -0.125 0.000 1.074 442 R CA 1.119 57.132 56.100 -0.144 0.000 0.991 442 R CB -0.381 29.841 30.300 -0.130 0.000 0.883 442 R HN 0.509 nan 8.270 nan 0.000 0.457 443 M N 0.356 119.886 119.600 -0.117 0.000 2.123 443 M HA -0.109 4.388 4.480 0.028 0.000 0.263 443 M C 1.797 178.016 176.300 -0.134 0.000 1.069 443 M CA 1.549 56.809 55.300 -0.067 0.000 1.133 443 M CB 0.163 32.763 32.600 -0.001 0.000 1.356 443 M HN -0.051 nan 8.290 nan 0.000 0.415 444 V N 1.165 120.883 119.914 -0.326 0.000 2.343 444 V HA -0.288 3.848 4.120 0.028 0.000 0.247 444 V C 2.254 178.219 176.094 -0.215 0.000 1.051 444 V CA 2.025 63.989 62.300 -0.561 0.000 1.036 444 V CB -0.966 30.514 31.823 -0.571 0.000 0.654 444 V HN 0.593 nan 8.190 nan 0.000 0.451 445 Q N -0.728 118.995 119.800 -0.129 0.000 2.224 445 Q HA -0.192 4.165 4.340 0.028 0.000 0.203 445 Q C 2.449 178.360 176.000 -0.147 0.000 0.970 445 Q CA 1.293 57.030 55.803 -0.110 0.000 0.865 445 Q CB -0.147 28.558 28.738 -0.054 0.000 0.922 445 Q HN 0.534 nan 8.270 nan 0.000 0.445 446 R N 0.393 120.803 120.500 -0.150 0.000 2.080 446 R HA -0.082 4.275 4.340 0.028 0.000 0.222 446 R C 0.511 176.735 176.300 -0.127 0.000 1.107 446 R CA 1.283 57.273 56.100 -0.184 0.000 0.980 446 R CB 0.430 30.623 30.300 -0.178 0.000 0.879 446 R HN 0.166 nan 8.270 nan 0.000 0.439 447 D N -0.094 120.294 120.400 -0.020 0.000 2.398 447 D HA -0.006 4.650 4.640 0.028 0.000 0.210 447 D C 1.324 177.725 176.300 0.168 0.000 1.094 447 D CA 0.085 54.128 54.000 0.071 0.000 0.839 447 D CB 0.215 40.989 40.800 -0.043 0.000 0.963 447 D HN 0.364 nan 8.370 nan 0.000 0.506 448 R N 0.780 121.390 120.500 0.184 0.000 2.249 448 R HA -0.028 4.329 4.340 0.028 0.000 0.230 448 R C 0.812 177.096 176.300 -0.028 0.000 1.121 448 R CA 0.906 57.115 56.100 0.181 0.000 0.997 448 R CB -0.353 29.969 30.300 0.037 0.000 0.867 448 R HN -0.050 nan 8.270 nan 0.000 0.465 449 N N 0.268 118.878 118.700 -0.149 0.000 2.336 449 N HA -0.007 4.750 4.740 0.028 0.000 0.189 449 N C -0.434 174.936 175.510 -0.234 0.000 1.113 449 N CA 0.280 53.210 53.050 -0.200 0.000 0.858 449 N CB 0.084 38.422 38.487 -0.249 0.000 0.970 449 N HN 0.297 nan 8.380 nan 0.000 0.471 450 H N 1.564 120.564 119.070 -0.116 0.000 2.742 450 H HA 0.093 4.666 4.556 0.027 0.000 0.302 450 H C -1.169 174.006 175.328 -0.255 0.000 1.069 450 H CA -1.197 54.767 56.048 -0.140 0.000 1.446 450 H CB 1.458 31.171 29.762 -0.082 0.000 1.462 450 H HN 0.084 nan 8.280 nan 0.000 0.499 451 P HA -0.142 nan 4.420 nan 0.000 0.221 451 P C 1.412 178.233 177.300 -0.799 0.000 1.150 451 P CA 0.961 63.699 63.100 -0.604 0.000 0.800 451 P CB 0.346 31.493 31.700 -0.923 0.000 0.787 452 S N -0.495 114.864 115.700 -0.569 0.000 2.399 452 S HA -0.049 4.438 4.470 0.028 0.000 0.231 452 S C 1.145 175.735 174.600 -0.016 0.000 1.022 452 S CA 0.443 58.507 58.200 -0.225 0.000 0.983 452 S CB -1.545 61.654 63.200 -0.002 0.000 0.803 452 S HN -0.051 nan 8.310 nan 0.000 0.480 453 V N 3.741 123.608 119.914 -0.079 0.000 2.439 453 V HA 0.226 4.363 4.120 0.028 0.000 0.271 453 V C 1.097 177.054 176.094 -0.229 0.000 1.040 453 V CA 0.109 62.322 62.300 -0.144 0.000 1.002 453 V CB 0.336 31.973 31.823 -0.310 0.000 1.000 453 V HN 0.647 nan 8.190 nan 0.000 0.477 454 I N 2.619 123.110 120.570 -0.131 0.000 4.187 454 I HA 0.511 4.697 4.170 0.028 0.000 0.326 454 I C 0.358 176.371 176.117 -0.173 0.000 1.302 454 I CA 0.484 61.716 61.300 -0.114 0.000 1.196 454 I CB 0.514 38.526 38.000 0.020 0.000 1.095 454 I HN 0.318 nan 8.210 nan 0.000 0.411 455 I N 0.359 120.805 120.570 -0.206 0.000 2.656 455 I HA 0.351 4.538 4.170 0.028 0.000 0.292 455 I C -1.529 174.503 176.117 -0.141 0.000 1.144 455 I CA -0.413 60.810 61.300 -0.130 0.000 1.038 455 I CB 1.993 40.005 38.000 0.020 0.000 1.244 455 I HN 0.033 nan 8.210 nan 0.000 0.420 456 W N 3.943 125.298 121.300 0.091 0.000 2.449 456 W HA 0.610 5.284 4.660 0.024 0.000 0.331 456 W C 0.445 177.034 176.519 0.116 0.000 1.119 456 W CA -0.577 56.826 57.345 0.097 0.000 1.240 456 W CB 1.608 31.121 29.460 0.088 0.000 1.251 456 W HN 0.298 nan 8.180 nan 0.000 0.576 457 S N 2.489 118.422 115.700 0.388 0.000 2.521 457 S HA 0.395 4.882 4.470 0.028 0.000 0.295 457 S C 0.186 174.940 174.600 0.257 0.000 1.098 457 S CA -0.710 57.663 58.200 0.288 0.000 0.999 457 S CB 0.740 64.067 63.200 0.213 0.000 1.034 457 S HN 0.564 nan 8.310 nan 0.000 0.483 458 L N 4.185 125.539 121.223 0.219 0.000 2.650 458 L HA 0.348 4.705 4.340 0.028 0.000 0.235 458 L C 1.342 178.226 176.870 0.023 0.000 1.149 458 L CA 0.446 55.319 54.840 0.056 0.000 0.887 458 L CB -1.183 40.796 42.059 -0.133 0.000 1.021 458 L HN 0.970 nan 8.230 nan 0.000 0.441 459 G N 0.108 109.016 108.800 0.179 0.000 2.318 459 G HA2 -0.142 3.835 3.960 0.028 0.000 0.367 459 G HA3 -0.142 3.835 3.960 0.028 0.000 0.367 459 G C -1.601 173.474 174.900 0.291 0.000 1.260 459 G CA -0.623 44.598 45.100 0.202 0.000 1.055 459 G HN 0.186 nan 8.290 nan 0.000 0.484 460 N N 0.189 119.000 118.700 0.185 0.000 2.308 460 N HA 0.488 5.244 4.740 0.028 0.000 0.283 460 N C -0.345 175.124 175.510 -0.068 0.000 1.105 460 N CA 0.087 53.126 53.050 -0.018 0.000 0.840 460 N CB 1.546 39.740 38.487 -0.489 0.000 1.633 460 N HN 0.889 nan 8.380 nan 0.000 0.476 461 E N 0.741 120.831 120.200 -0.183 0.000 2.160 461 E HA -0.183 4.183 4.350 0.028 0.000 0.180 461 E C -0.801 175.732 176.600 -0.113 0.000 1.452 461 E CA 0.697 56.916 56.400 -0.301 0.000 0.683 461 E CB -1.367 27.918 29.700 -0.690 0.000 1.072 461 E HN 0.422 nan 8.360 nan 0.000 0.332 462 S N 0.082 115.846 115.700 0.106 0.000 2.843 462 S HA 0.393 4.880 4.470 0.028 0.000 0.249 462 S C 0.729 175.483 174.600 0.256 0.000 1.047 462 S CA -0.133 58.179 58.200 0.188 0.000 1.042 462 S CB 1.360 64.730 63.200 0.284 0.000 0.936 462 S HN 0.854 nan 8.310 nan 0.000 0.531 463 G N 2.048 110.931 108.800 0.138 0.000 2.598 463 G HA2 -0.265 3.711 3.960 0.028 0.000 0.269 463 G HA3 -0.265 3.711 3.960 0.028 0.000 0.269 463 G C -0.532 174.547 174.900 0.299 0.000 1.289 463 G CA -0.026 45.159 45.100 0.142 0.000 0.926 463 G HN 0.599 nan 8.290 nan 0.000 0.567 464 H N 0.859 120.052 119.070 0.206 0.000 2.906 464 H HA 0.605 5.178 4.556 0.028 0.000 0.324 464 H C 0.270 175.776 175.328 0.296 0.000 0.973 464 H CA 0.422 56.652 56.048 0.303 0.000 1.321 464 H CB 0.714 30.571 29.762 0.157 0.000 1.535 464 H HN 1.167 nan 8.280 nan 0.000 0.518 465 G N 1.489 110.294 108.800 0.009 0.000 2.600 465 G HA2 0.477 4.454 3.960 0.028 0.000 0.303 465 G HA3 0.477 4.454 3.960 0.028 0.000 0.303 465 G C 0.599 175.363 174.900 -0.226 0.000 1.253 465 G CA -0.187 44.853 45.100 -0.100 0.000 0.974 465 G HN 0.639 nan 8.290 nan 0.000 0.483 466 A N 0.330 123.096 122.820 -0.090 0.000 1.978 466 A HA -0.123 4.213 4.320 0.028 0.000 0.220 466 A C 2.124 179.664 177.584 -0.074 0.000 1.170 466 A CA 2.003 54.014 52.037 -0.042 0.000 0.636 466 A CB -0.448 18.555 19.000 0.004 0.000 0.810 466 A HN 0.532 nan 8.150 nan 0.000 0.448 467 N N -0.476 118.134 118.700 -0.149 0.000 2.223 467 N HA -0.130 4.626 4.740 0.028 0.000 0.185 467 N C 1.387 176.783 175.510 -0.189 0.000 1.016 467 N CA 1.615 54.560 53.050 -0.175 0.000 0.863 467 N CB -0.629 37.718 38.487 -0.232 0.000 0.983 467 N HN 0.797 nan 8.380 nan 0.000 0.429 468 H N 0.371 119.339 119.070 -0.171 0.000 2.326 468 H HA -0.010 4.563 4.556 0.027 0.000 0.301 468 H C 1.221 176.536 175.328 -0.022 0.000 1.081 468 H CA 1.248 57.182 56.048 -0.190 0.000 1.334 468 H CB 0.173 29.731 29.762 -0.340 0.000 1.385 468 H HN 0.198 nan 8.280 nan 0.000 0.504 469 D N 0.471 120.941 120.400 0.116 0.000 2.144 469 D HA -0.138 4.518 4.640 0.028 0.000 0.199 469 D C 2.240 178.677 176.300 0.228 0.000 0.984 469 D CA 1.106 55.227 54.000 0.201 0.000 0.834 469 D CB -0.289 40.612 40.800 0.169 0.000 0.955 469 D HN 0.433 nan 8.370 nan 0.000 0.465 470 A N 1.056 123.954 122.820 0.129 0.000 1.855 470 A HA -0.101 4.235 4.320 0.028 0.000 0.215 470 A C 2.419 180.090 177.584 0.145 0.000 1.191 470 A CA 0.855 52.961 52.037 0.115 0.000 0.613 470 A CB -0.809 18.217 19.000 0.043 0.000 0.829 470 A HN 0.173 nan 8.150 nan 0.000 0.442 471 L N -1.817 119.466 121.223 0.101 0.000 2.141 471 L HA -0.157 4.200 4.340 0.028 0.000 0.209 471 L C 2.577 179.568 176.870 0.202 0.000 1.094 471 L CA 1.506 56.408 54.840 0.103 0.000 0.763 471 L CB -0.665 41.385 42.059 -0.015 0.000 0.908 471 L HN 0.640 nan 8.230 nan 0.000 0.437 472 Y N 1.287 121.655 120.300 0.115 0.000 2.128 472 Y HA -0.317 4.246 4.550 0.022 0.000 0.284 472 Y C 2.784 178.765 175.900 0.135 0.000 1.154 472 Y CA 1.759 59.938 58.100 0.132 0.000 1.149 472 Y CB -0.181 38.363 38.460 0.139 0.000 0.976 472 Y HN -0.049 nan 8.280 nan 0.000 0.505 473 R N -0.207 120.321 120.500 0.047 0.000 2.115 473 R HA -0.169 4.187 4.340 0.028 0.000 0.230 473 R C 2.000 178.272 176.300 -0.047 0.000 1.111 473 R CA 1.689 57.749 56.100 -0.067 0.000 0.976 473 R CB -1.338 29.035 30.300 0.120 0.000 0.870 473 R HN 0.657 nan 8.270 nan 0.000 0.445 474 W N 0.368 121.601 121.300 -0.111 0.000 2.355 474 W HA -0.128 4.548 4.660 0.027 0.000 0.309 474 W C 1.503 177.922 176.519 -0.168 0.000 1.206 474 W CA 1.812 59.088 57.345 -0.114 0.000 1.284 474 W CB -0.188 29.212 29.460 -0.099 0.000 1.145 474 W HN 0.060 nan 8.180 nan 0.000 0.502 475 I N 0.790 121.345 120.570 -0.026 0.000 2.252 475 I HA -0.322 3.864 4.170 0.028 0.000 0.245 475 I C 2.405 178.329 176.117 -0.321 0.000 1.102 475 I CA 1.265 62.411 61.300 -0.257 0.000 1.385 475 I CB -0.707 37.209 38.000 -0.140 0.000 1.064 475 I HN -0.135 nan 8.210 nan 0.000 0.414 476 K N 0.307 120.521 120.400 -0.310 0.000 2.152 476 K HA -0.154 4.183 4.320 0.028 0.000 0.206 476 K C 2.264 178.729 176.600 -0.226 0.000 1.048 476 K CA 1.365 57.493 56.287 -0.265 0.000 0.933 476 K CB -0.465 31.821 32.500 -0.358 0.000 0.721 476 K HN 0.243 nan 8.250 nan 0.000 0.447 477 S N 0.840 116.368 115.700 -0.286 0.000 2.362 477 S HA -0.076 4.410 4.470 0.028 0.000 0.221 477 S C 2.006 176.397 174.600 -0.348 0.000 1.032 477 S CA 1.092 59.127 58.200 -0.275 0.000 0.973 477 S CB -0.060 62.979 63.200 -0.268 0.000 0.849 477 S HN 0.167 nan 8.310 nan 0.000 0.465 478 V N -0.806 118.764 119.914 -0.574 0.000 2.951 478 V HA 0.284 4.421 4.120 0.028 0.000 0.255 478 V C 0.280 176.152 176.094 -0.371 0.000 1.088 478 V CA 1.283 63.242 62.300 -0.568 0.000 1.109 478 V CB -0.363 30.867 31.823 -0.989 0.000 0.724 478 V HN 0.430 nan 8.190 nan 0.000 0.471 479 D N 0.995 121.217 120.400 -0.297 0.000 2.364 479 D HA 0.356 5.013 4.640 0.028 0.000 0.251 479 D C -1.939 174.346 176.300 -0.025 0.000 1.282 479 D CA -1.743 52.190 54.000 -0.112 0.000 0.927 479 D CB 1.749 42.554 40.800 0.009 0.000 1.267 479 D HN 0.205 nan 8.370 nan 0.000 0.531 480 P HA -0.035 nan 4.420 nan 0.000 0.245 480 P C 0.971 178.291 177.300 0.032 0.000 1.212 480 P CA 0.301 63.396 63.100 -0.009 0.000 0.774 480 P CB 0.242 31.928 31.700 -0.024 0.000 0.999 481 S N -0.829 114.898 115.700 0.045 0.000 2.522 481 S HA 0.049 4.536 4.470 0.028 0.000 0.227 481 S C 0.927 175.557 174.600 0.050 0.000 0.986 481 S CA -0.182 58.049 58.200 0.052 0.000 0.929 481 S CB -0.415 62.807 63.200 0.037 0.000 0.769 481 S HN 0.117 nan 8.310 nan 0.000 0.529 482 R N 1.223 121.771 120.500 0.079 0.000 2.575 482 R HA 0.532 4.889 4.340 0.028 0.000 0.293 482 R C -3.238 173.129 176.300 0.113 0.000 0.983 482 R CA -2.221 53.900 56.100 0.035 0.000 0.887 482 R CB 1.522 31.730 30.300 -0.154 0.000 1.184 482 R HN 0.151 nan 8.270 nan 0.000 0.445 483 P HA 0.083 nan 4.420 nan 0.000 0.272 483 P C -0.786 176.635 177.300 0.201 0.000 1.230 483 P CA -0.374 62.803 63.100 0.129 0.000 0.788 483 P CB 0.709 32.466 31.700 0.094 0.000 0.949 484 V N 2.465 122.537 119.914 0.263 0.000 2.555 484 V HA 0.456 4.592 4.120 0.028 0.000 0.302 484 V C 0.113 176.414 176.094 0.344 0.000 1.038 484 V CA -0.301 62.206 62.300 0.345 0.000 0.887 484 V CB 1.312 33.343 31.823 0.347 0.000 0.991 484 V HN 0.622 nan 8.190 nan 0.000 0.434 485 Q N 3.650 123.627 119.800 0.295 0.000 2.451 485 Q HA 0.796 5.152 4.340 0.028 0.000 0.281 485 Q C -1.978 174.194 176.000 0.287 0.000 1.099 485 Q CA -0.895 55.044 55.803 0.227 0.000 0.806 485 Q CB 3.006 31.825 28.738 0.135 0.000 1.419 485 Q HN 0.627 nan 8.270 nan 0.000 0.427 486 Y N 0.253 120.579 120.300 0.043 0.000 2.424 486 Y HA 0.179 4.744 4.550 0.025 0.000 0.323 486 Y C -0.716 175.155 175.900 -0.048 0.000 1.174 486 Y CA -0.872 57.223 58.100 -0.007 0.000 1.060 486 Y CB 2.135 40.577 38.460 -0.030 0.000 1.314 486 Y HN 0.949 nan 8.280 nan 0.000 0.439 487 E N 3.107 122.842 120.200 -0.775 0.000 2.364 487 E HA 0.165 4.532 4.350 0.028 0.000 0.196 487 E C 0.602 176.773 176.600 -0.714 0.000 0.990 487 E CA 0.654 56.703 56.400 -0.585 0.000 0.886 487 E CB 0.326 29.828 29.700 -0.331 0.000 0.866 487 E HN 0.887 nan 8.360 nan 0.000 0.493 488 G N -0.056 107.927 108.800 -1.360 0.000 2.474 488 G HA2 0.233 4.210 3.960 0.028 0.000 0.233 488 G HA3 0.233 4.210 3.960 0.028 0.000 0.233 488 G C 0.833 175.580 174.900 -0.255 0.000 1.278 488 G CA 0.330 45.023 45.100 -0.679 0.000 0.861 488 G HN 0.342 nan 8.290 nan 0.000 0.567 489 G N -0.397 108.365 108.800 -0.065 0.000 2.143 489 G HA2 0.230 4.206 3.960 0.028 0.000 0.248 489 G HA3 0.230 4.206 3.960 0.028 0.000 0.248 489 G C 1.230 176.124 174.900 -0.010 0.000 0.991 489 G CA 0.991 46.106 45.100 0.025 0.000 0.689 489 G HN 2.621 nan 8.290 nan 0.000 0.522 490 G N -1.547 107.251 108.800 -0.003 0.000 2.227 490 G HA2 0.455 4.432 3.960 0.028 0.000 0.168 490 G HA3 0.455 4.432 3.960 0.028 0.000 0.168 490 G C 1.078 176.102 174.900 0.205 0.000 1.006 490 G CA 1.243 46.406 45.100 0.104 0.000 0.684 490 G HN 2.301 nan 8.290 nan 0.000 0.489 491 A N -0.111 122.717 122.820 0.014 0.000 3.721 491 A HA -0.169 4.168 4.320 0.028 0.000 0.270 491 A C 1.176 178.704 177.584 -0.093 0.000 1.036 491 A CA 2.752 54.737 52.037 -0.087 0.000 1.102 491 A CB -1.720 17.197 19.000 -0.139 0.000 1.100 491 A HN 2.095 nan 8.150 nan 0.000 0.887 492 D N -0.971 119.462 120.400 0.056 0.000 2.692 492 D HA 0.310 4.966 4.640 0.028 0.000 0.290 492 D C 0.429 176.741 176.300 0.021 0.000 1.455 492 D CA 0.831 54.868 54.000 0.062 0.000 0.796 492 D CB -1.148 39.826 40.800 0.289 0.000 1.131 492 D HN 0.803 nan 8.370 nan 0.000 0.467 493 T N -2.421 112.100 114.554 -0.055 0.000 2.689 493 T HA 0.181 4.548 4.350 0.028 0.000 0.308 493 T C 1.599 176.230 174.700 -0.114 0.000 1.021 493 T CA 0.489 62.498 62.100 -0.152 0.000 0.973 493 T CB 0.735 69.394 68.868 -0.349 0.000 1.113 493 T HN 0.094 nan 8.240 nan 0.000 0.522 494 T N -2.748 111.732 114.554 -0.124 0.000 3.163 494 T HA 0.237 4.604 4.350 0.028 0.000 0.260 494 T C 1.521 176.048 174.700 -0.289 0.000 1.156 494 T CA 0.237 62.267 62.100 -0.116 0.000 1.072 494 T CB -0.503 68.350 68.868 -0.026 0.000 0.937 494 T HN 0.824 nan 8.240 nan 0.000 0.528 495 A N 0.431 123.149 122.820 -0.170 0.000 2.415 495 A HA 0.509 4.846 4.320 0.028 0.000 0.248 495 A C 0.833 178.239 177.584 -0.296 0.000 1.299 495 A CA -0.251 51.597 52.037 -0.316 0.000 0.899 495 A CB 0.028 19.144 19.000 0.194 0.000 0.997 495 A HN 0.442 nan 8.150 nan 0.000 0.506 496 T N -1.366 113.029 114.554 -0.265 0.000 2.952 496 T HA 0.345 4.711 4.350 0.028 0.000 0.305 496 T C -0.688 174.019 174.700 0.011 0.000 1.064 496 T CA -0.474 61.613 62.100 -0.021 0.000 1.008 496 T CB 1.204 70.082 68.868 0.018 0.000 1.078 496 T HN 0.106 nan 8.240 nan 0.000 0.459 497 D N 2.975 123.463 120.400 0.146 0.000 2.348 497 D HA 0.234 4.890 4.640 0.028 0.000 0.211 497 D C 0.415 176.750 176.300 0.058 0.000 0.998 497 D CA 0.684 54.764 54.000 0.133 0.000 0.873 497 D CB 0.510 41.425 40.800 0.192 0.000 0.925 497 D HN 0.548 nan 8.370 nan 0.000 0.524 498 I N 1.038 121.626 120.570 0.030 0.000 2.533 498 I HA 0.263 4.449 4.170 0.028 0.000 0.290 498 I C -0.183 175.876 176.117 -0.096 0.000 1.056 498 I CA -0.923 60.361 61.300 -0.026 0.000 1.057 498 I CB 2.753 40.749 38.000 -0.007 0.000 1.240 498 I HN -0.362 nan 8.210 nan 0.000 0.423 499 I N 5.660 126.124 120.570 -0.176 0.000 2.494 499 I HA 0.045 4.231 4.170 0.028 0.000 0.289 499 I C 0.184 176.095 176.117 -0.344 0.000 1.106 499 I CA 0.024 61.119 61.300 -0.342 0.000 1.369 499 I CB 0.126 37.808 38.000 -0.531 0.000 1.410 499 I HN 0.681 nan 8.210 nan 0.000 0.523 500 C N 5.841 124.957 119.300 -0.308 0.000 3.276 500 C HA 0.462 4.939 4.460 0.028 0.000 0.226 500 C C -1.961 172.896 174.990 -0.222 0.000 1.502 500 C CA -2.231 56.657 59.018 -0.216 0.000 1.488 500 C CB -1.010 26.666 27.740 -0.106 0.000 2.014 500 C HN 0.444 nan 8.230 nan 0.000 0.492 501 P HA 0.311 nan 4.420 nan 0.000 0.273 501 P C -0.532 176.729 177.300 -0.065 0.000 1.250 501 P CA 0.288 63.295 63.100 -0.154 0.000 0.793 501 P CB 0.883 32.495 31.700 -0.146 0.000 1.011 502 M N -0.315 119.283 119.600 -0.004 0.000 2.243 502 M HA 0.422 4.919 4.480 0.028 0.000 0.324 502 M C -0.863 175.448 176.300 0.019 0.000 1.031 502 M CA -0.767 54.436 55.300 -0.160 0.000 0.949 502 M CB 1.288 33.807 32.600 -0.134 0.000 1.615 502 M HN 0.231 nan 8.290 nan 0.000 0.430 503 Y N -0.416 120.072 120.300 0.314 0.000 4.177 503 Y HA -0.206 4.361 4.550 0.029 0.000 0.227 503 Y C 0.524 176.614 175.900 0.317 0.000 1.154 503 Y CA 0.598 58.888 58.100 0.317 0.000 1.887 503 Y CB -2.471 36.157 38.460 0.280 0.000 1.594 503 Y HN 0.963 nan 8.280 nan 0.000 0.668 504 A N 0.817 123.862 122.820 0.375 0.000 2.425 504 A HA 0.595 4.931 4.320 0.028 0.000 0.249 504 A C 0.783 178.595 177.584 0.381 0.000 1.084 504 A CA -0.483 51.782 52.037 0.381 0.000 0.781 504 A CB 0.415 19.678 19.000 0.439 0.000 1.019 504 A HN 0.410 nan 8.150 nan 0.000 0.490 505 R N 1.289 121.948 120.500 0.264 0.000 2.546 505 R HA 0.345 4.702 4.340 0.028 0.000 0.266 505 R C 1.029 177.334 176.300 0.008 0.000 1.086 505 R CA -0.712 55.480 56.100 0.154 0.000 1.160 505 R CB 0.695 31.045 30.300 0.083 0.000 1.138 505 R HN 0.481 nan 8.270 nan 0.000 0.567 506 V N 0.688 120.448 119.914 -0.256 0.000 2.307 506 V HA -0.205 3.931 4.120 0.028 0.000 0.245 506 V C 0.879 176.868 176.094 -0.175 0.000 1.045 506 V CA 1.892 63.999 62.300 -0.322 0.000 1.024 506 V CB -0.299 31.197 31.823 -0.545 0.000 0.651 506 V HN 0.758 nan 8.190 nan 0.000 0.449 507 D N -1.661 118.666 120.400 -0.121 0.000 2.482 507 D HA 0.090 4.747 4.640 0.028 0.000 0.251 507 D C 0.991 177.278 176.300 -0.022 0.000 1.073 507 D CA -0.004 53.955 54.000 -0.068 0.000 0.892 507 D CB 0.533 41.296 40.800 -0.062 0.000 1.202 507 D HN 0.445 nan 8.370 nan 0.000 0.496 508 E N 2.061 122.252 120.200 -0.016 0.000 2.223 508 E HA 0.063 4.430 4.350 0.028 0.000 0.282 508 E C -0.737 175.867 176.600 0.006 0.000 1.046 508 E CA -0.389 56.009 56.400 -0.002 0.000 0.857 508 E CB 0.749 30.448 29.700 -0.002 0.000 1.055 508 E HN -0.114 nan 8.360 nan 0.000 0.409 509 D N 3.645 124.048 120.400 0.005 0.000 2.313 509 D HA 0.128 4.784 4.640 0.028 0.000 0.247 509 D C -0.514 175.685 176.300 -0.169 0.000 1.094 509 D CA 0.156 54.153 54.000 -0.006 0.000 0.925 509 D CB 1.158 42.027 40.800 0.115 0.000 1.188 509 D HN 0.425 nan 8.370 nan 0.000 0.430 510 Q N 1.381 120.961 119.800 -0.368 0.000 2.932 510 Q HA 0.221 4.578 4.340 0.028 0.000 0.248 510 Q C -2.209 173.191 176.000 -1.001 0.000 0.982 510 Q CA -1.465 53.919 55.803 -0.700 0.000 0.730 510 Q CB 2.251 30.545 28.738 -0.740 0.000 1.249 510 Q HN 0.189 nan 8.270 nan 0.000 0.476 511 P HA -0.052 nan 4.420 nan 0.000 0.246 511 P C -0.633 176.377 177.300 -0.484 0.000 1.675 511 P CA 0.011 62.702 63.100 -0.682 0.000 0.908 511 P CB -0.533 30.966 31.700 -0.335 0.000 1.890 512 F N 1.493 121.264 119.950 -0.299 0.000 2.595 512 F HA 0.145 4.688 4.527 0.026 0.000 0.359 512 F C -1.327 174.362 175.800 -0.184 0.000 1.147 512 F CA -2.117 55.769 58.000 -0.190 0.000 1.341 512 F CB -1.200 37.709 39.000 -0.152 0.000 1.104 512 F HN 0.067 nan 8.300 nan 0.000 0.603 513 P HA 0.243 nan 4.420 nan 0.000 0.271 513 P C 0.267 177.574 177.300 0.013 0.000 1.216 513 P CA 1.246 64.357 63.100 0.019 0.000 0.776 513 P CB 1.103 32.815 31.700 0.020 0.000 0.881 514 A N 2.759 125.579 122.820 -0.001 0.000 2.617 514 A HA -0.251 4.086 4.320 0.028 0.000 0.236 514 A C 0.795 178.376 177.584 -0.004 0.000 0.514 514 A CA 2.101 54.140 52.037 0.003 0.000 1.126 514 A CB -2.699 16.305 19.000 0.007 0.000 1.393 514 A HN 0.658 nan 8.150 nan 0.000 0.693 515 V N -2.655 117.255 119.914 -0.006 0.000 2.454 515 V HA 0.554 4.690 4.120 0.028 0.000 0.255 515 V C -2.142 173.942 176.094 -0.016 0.000 1.009 515 V CA -1.235 61.064 62.300 -0.002 0.000 1.149 515 V CB 0.483 32.310 31.823 0.007 0.000 1.418 515 V HN 0.559 nan 8.190 nan 0.000 0.567 516 P HA 0.239 nan 4.420 nan 0.000 0.269 516 P C -0.645 176.250 177.300 -0.676 0.000 1.209 516 P CA 0.120 62.855 63.100 -0.609 0.000 0.776 516 P CB 1.082 32.004 31.700 -1.296 0.000 0.876 517 K N 2.717 122.793 120.400 -0.539 0.000 2.414 517 K HA 0.212 4.549 4.320 0.028 0.000 0.251 517 K C -0.378 175.977 176.600 -0.408 0.000 1.037 517 K CA -0.297 55.860 56.287 -0.216 0.000 0.980 517 K CB 0.455 33.073 32.500 0.197 0.000 1.280 517 K HN 0.469 nan 8.250 nan 0.000 0.451 518 W N 1.491 122.500 121.300 -0.486 0.000 2.129 518 W HA 0.046 4.723 4.660 0.028 0.000 0.349 518 W C 1.241 177.768 176.519 0.013 0.000 1.279 518 W CA -0.621 56.521 57.345 -0.339 0.000 1.306 518 W CB 0.451 29.540 29.460 -0.619 0.000 1.140 518 W HN 0.404 nan 8.180 nan 0.000 0.613 519 S N 2.359 118.215 115.700 0.261 0.000 2.560 519 S HA 0.004 4.490 4.470 0.028 0.000 0.284 519 S C 1.014 175.768 174.600 0.257 0.000 1.327 519 S CA -0.375 57.934 58.200 0.180 0.000 1.055 519 S CB 0.307 63.549 63.200 0.071 0.000 0.868 519 S HN 0.567 nan 8.310 nan 0.000 0.506 520 I N 0.064 120.763 120.570 0.216 0.000 2.335 520 I HA -0.185 4.002 4.170 0.028 0.000 0.251 520 I C 2.013 178.169 176.117 0.065 0.000 1.129 520 I CA 1.256 62.678 61.300 0.204 0.000 1.402 520 I CB -0.505 37.561 38.000 0.111 0.000 1.069 520 I HN 0.615 nan 8.210 nan 0.000 0.424 521 K N 1.532 121.871 120.400 -0.102 0.000 2.097 521 K HA -0.148 4.189 4.320 0.028 0.000 0.205 521 K C 2.288 178.882 176.600 -0.010 0.000 1.050 521 K CA 1.573 57.703 56.287 -0.260 0.000 0.938 521 K CB -0.170 32.076 32.500 -0.423 0.000 0.718 521 K HN 0.389 nan 8.250 nan 0.000 0.442 522 K N 0.232 120.651 120.400 0.032 0.000 2.103 522 K HA -0.155 4.182 4.320 0.028 0.000 0.204 522 K C 1.894 178.518 176.600 0.040 0.000 1.052 522 K CA 0.699 56.991 56.287 0.008 0.000 0.945 522 K CB -0.049 32.423 32.500 -0.047 0.000 0.722 522 K HN 0.193 nan 8.250 nan 0.000 0.443 523 W N 2.168 123.461 121.300 -0.011 0.000 2.318 523 W HA -0.213 4.459 4.660 0.020 0.000 0.313 523 W C 1.611 178.120 176.519 -0.017 0.000 1.221 523 W CA 1.258 58.612 57.345 0.014 0.000 1.266 523 W CB -0.642 28.889 29.460 0.118 0.000 1.150 523 W HN 0.098 nan 8.180 nan 0.000 0.496 524 L N 0.738 122.130 121.223 0.283 0.000 2.079 524 L HA -0.261 4.096 4.340 0.028 0.000 0.210 524 L C 2.327 179.268 176.870 0.119 0.000 1.081 524 L CA 2.041 56.981 54.840 0.166 0.000 0.752 524 L CB -1.106 41.038 42.059 0.142 0.000 0.896 524 L HN -0.022 nan 8.230 nan 0.000 0.433 525 S N -1.286 114.466 115.700 0.087 0.000 2.556 525 S HA 0.217 4.704 4.470 0.028 0.000 0.216 525 S C 0.684 175.273 174.600 -0.019 0.000 0.970 525 S CA -0.478 57.742 58.200 0.034 0.000 0.912 525 S CB -0.467 62.751 63.200 0.031 0.000 0.790 525 S HN 0.165 nan 8.310 nan 0.000 0.504 526 L N 2.093 123.291 121.223 -0.042 0.000 2.529 526 L HA 0.168 4.524 4.340 0.028 0.000 0.287 526 L C -2.227 174.609 176.870 -0.057 0.000 1.241 526 L CA -1.508 53.261 54.840 -0.119 0.000 0.857 526 L CB -0.428 41.530 42.059 -0.168 0.000 1.113 526 L HN 0.015 nan 8.230 nan 0.000 0.504 527 P HA -0.055 nan 4.420 nan 0.000 0.260 527 P C 0.756 178.047 177.300 -0.014 0.000 1.172 527 P CA 1.223 64.299 63.100 -0.041 0.000 0.760 527 P CB 0.474 32.143 31.700 -0.051 0.000 0.773 528 G N 1.809 110.609 108.800 -0.001 0.000 2.212 528 G HA2 -0.283 3.694 3.960 0.028 0.000 0.266 528 G HA3 -0.283 3.694 3.960 0.028 0.000 0.266 528 G C 0.308 175.225 174.900 0.028 0.000 0.978 528 G CA 0.127 45.235 45.100 0.013 0.000 0.632 528 G HN 0.603 nan 8.290 nan 0.000 0.537 529 E N 0.931 121.153 120.200 0.038 0.000 2.338 529 E HA 0.594 4.960 4.350 0.028 0.000 0.272 529 E C 1.370 177.999 176.600 0.048 0.000 1.029 529 E CA 0.717 57.154 56.400 0.063 0.000 0.872 529 E CB 0.824 30.590 29.700 0.110 0.000 1.015 529 E HN 0.581 nan 8.360 nan 0.000 0.417 530 T N 0.415 114.995 114.554 0.042 0.000 3.092 530 T HA 0.302 4.668 4.350 0.028 0.000 0.273 530 T C 0.498 175.212 174.700 0.023 0.000 0.898 530 T CA -0.455 61.664 62.100 0.031 0.000 0.868 530 T CB 0.050 68.934 68.868 0.027 0.000 1.228 530 T HN 0.265 nan 8.240 nan 0.000 0.555 531 R N 2.738 123.249 120.500 0.018 0.000 2.679 531 R HA 0.430 4.787 4.340 0.028 0.000 0.269 531 R C -2.395 173.892 176.300 -0.023 0.000 1.076 531 R CA -1.700 54.400 56.100 0.000 0.000 1.160 531 R CB 0.148 30.443 30.300 -0.008 0.000 1.054 531 R HN 0.294 nan 8.270 nan 0.000 0.507 532 P HA 0.056 nan 4.420 nan 0.000 0.274 532 P C -1.024 176.213 177.300 -0.105 0.000 1.246 532 P CA -0.105 62.960 63.100 -0.059 0.000 0.795 532 P CB 0.799 32.465 31.700 -0.056 0.000 1.006 533 L N 2.120 123.261 121.223 -0.136 0.000 2.376 533 L HA 0.565 4.921 4.340 0.028 0.000 0.275 533 L C -1.018 175.713 176.870 -0.232 0.000 0.987 533 L CA -0.753 53.967 54.840 -0.200 0.000 0.828 533 L CB 0.657 42.592 42.059 -0.206 0.000 1.249 533 L HN 0.244 nan 8.230 nan 0.000 0.409 534 I N 5.802 126.239 120.570 -0.220 0.000 2.497 534 I HA 0.253 4.439 4.170 0.028 0.000 0.284 534 I C -0.698 175.328 176.117 -0.152 0.000 1.060 534 I CA -0.563 60.594 61.300 -0.239 0.000 1.071 534 I CB 1.965 39.882 38.000 -0.139 0.000 1.216 534 I HN 0.484 nan 8.210 nan 0.000 0.442 535 L N 5.641 126.742 121.223 -0.202 0.000 2.534 535 L HA 0.011 4.368 4.340 0.028 0.000 0.271 535 L C 1.530 178.480 176.870 0.132 0.000 1.178 535 L CA -0.187 54.600 54.840 -0.090 0.000 0.907 535 L CB 0.453 42.419 42.059 -0.156 0.000 1.164 535 L HN 0.857 nan 8.230 nan 0.000 0.482 536 C N 0.309 119.676 119.300 0.112 0.000 2.456 536 C HA 0.135 4.612 4.460 0.028 0.000 0.279 536 C C 0.641 175.788 174.990 0.262 0.000 1.427 536 C CA -0.218 58.912 59.018 0.187 0.000 1.778 536 C CB -1.145 26.616 27.740 0.036 0.000 1.842 536 C HN 0.833 nan 8.230 nan 0.000 0.531 537 E N -0.733 119.557 120.200 0.150 0.000 2.321 537 E HA 0.587 4.954 4.350 0.028 0.000 0.281 537 E C -1.400 175.126 176.600 -0.123 0.000 0.910 537 E CA -0.379 56.080 56.400 0.098 0.000 0.770 537 E CB 2.122 31.759 29.700 -0.104 0.000 1.225 537 E HN 0.565 nan 8.360 nan 0.000 0.417 538 Y N -0.841 119.402 120.300 -0.094 0.000 2.741 538 Y HA 0.584 5.152 4.550 0.030 0.000 0.339 538 Y C -0.882 175.184 175.900 0.276 0.000 1.226 538 Y CA -0.803 57.273 58.100 -0.041 0.000 1.072 538 Y CB 0.435 38.751 38.460 -0.241 0.000 1.331 538 Y HN 0.685 nan 8.280 nan 0.000 0.453 539 A N 1.932 124.809 122.820 0.095 0.000 2.416 539 A HA -0.245 4.091 4.320 0.028 0.000 0.293 539 A C -0.182 177.515 177.584 0.188 0.000 1.452 539 A CA 1.069 53.156 52.037 0.083 0.000 0.738 539 A CB -2.551 16.372 19.000 -0.128 0.000 1.123 539 A HN 1.244 nan 8.150 nan 0.000 0.389 540 H N 0.606 119.834 119.070 0.263 0.000 3.184 540 H HA 0.240 4.812 4.556 0.027 0.000 0.274 540 H C 1.125 176.491 175.328 0.064 0.000 0.962 540 H CA 0.944 57.136 56.048 0.239 0.000 1.441 540 H CB 0.444 30.227 29.762 0.035 0.000 1.518 540 H HN 0.794 nan 8.280 nan 0.000 0.539 541 A N 5.044 127.753 122.820 -0.186 0.000 2.648 541 A HA 0.334 4.671 4.320 0.028 0.000 0.269 541 A C 0.975 178.371 177.584 -0.314 0.000 1.392 541 A CA 0.097 51.994 52.037 -0.232 0.000 1.019 541 A CB -0.538 18.320 19.000 -0.236 0.000 1.009 541 A HN 0.724 nan 8.150 nan 0.000 0.565 542 A N 0.316 122.980 122.820 -0.259 0.000 2.395 542 A HA 0.538 4.875 4.320 0.028 0.000 0.286 542 A C 1.395 178.813 177.584 -0.276 0.000 1.193 542 A CA 0.544 52.453 52.037 -0.213 0.000 0.852 542 A CB -0.896 18.134 19.000 0.049 0.000 1.118 542 A HN 2.191 nan 8.150 nan 0.000 0.524 543 G N 2.548 111.098 108.800 -0.418 0.000 2.566 543 G HA2 -0.316 3.660 3.960 0.028 0.000 0.280 543 G HA3 -0.316 3.660 3.960 0.028 0.000 0.280 543 G C 0.427 174.794 174.900 -0.888 0.000 1.225 543 G CA 0.242 44.932 45.100 -0.682 0.000 0.966 543 G HN 1.126 nan 8.290 nan 0.000 0.560 544 N N 1.435 119.468 118.700 -1.111 0.000 2.605 544 N HA 0.423 5.179 4.740 0.028 0.000 0.282 544 N C 0.174 175.422 175.510 -0.437 0.000 1.206 544 N CA 1.152 53.750 53.050 -0.753 0.000 1.074 544 N CB 0.157 38.225 38.487 -0.698 0.000 1.434 544 N HN 0.763 nan 8.380 nan 0.000 0.506 545 S N 1.626 117.137 115.700 -0.315 0.000 3.081 545 S HA 0.580 5.067 4.470 0.028 0.000 0.316 545 S C 0.029 174.544 174.600 -0.141 0.000 1.089 545 S CA -0.374 57.703 58.200 -0.206 0.000 0.897 545 S CB 0.162 63.265 63.200 -0.162 0.000 1.358 545 S HN 0.330 nan 8.310 nan 0.000 0.678 546 L N 0.177 121.354 121.223 -0.077 0.000 4.140 546 L HA -0.052 4.305 4.340 0.028 0.000 0.406 546 L C 0.356 177.261 176.870 0.057 0.000 1.175 546 L CA 0.904 55.729 54.840 -0.026 0.000 0.939 546 L CB -1.712 40.247 42.059 -0.167 0.000 2.105 546 L HN 0.685 nan 8.230 nan 0.000 0.803 547 G N -0.915 107.893 108.800 0.014 0.000 2.364 547 G HA2 0.516 4.493 3.960 0.028 0.000 0.267 547 G HA3 0.516 4.493 3.960 0.028 0.000 0.267 547 G C 1.186 176.125 174.900 0.065 0.000 1.233 547 G CA 0.122 45.208 45.100 -0.022 0.000 0.885 547 G HN 1.367 nan 8.290 nan 0.000 0.490 548 G N 1.814 110.654 108.800 0.066 0.000 2.175 548 G HA2 -0.312 3.664 3.960 0.028 0.000 0.244 548 G HA3 -0.312 3.664 3.960 0.028 0.000 0.244 548 G C 1.047 176.121 174.900 0.290 0.000 0.982 548 G CA 0.701 45.889 45.100 0.146 0.000 0.641 548 G HN 0.782 nan 8.290 nan 0.000 0.527 549 F N 2.067 122.139 119.950 0.204 0.000 2.091 549 F HA 0.032 4.576 4.527 0.028 0.000 0.299 549 F C 2.726 178.742 175.800 0.361 0.000 1.103 549 F CA 2.735 60.932 58.000 0.329 0.000 1.228 549 F CB -0.603 38.526 39.000 0.215 0.000 0.984 549 F HN 0.394 nan 8.300 nan 0.000 0.477 550 A N -0.366 122.615 122.820 0.269 0.000 2.024 550 A HA -0.279 4.058 4.320 0.028 0.000 0.220 550 A C 2.307 179.912 177.584 0.036 0.000 1.164 550 A CA 1.920 54.044 52.037 0.144 0.000 0.643 550 A CB -0.882 18.217 19.000 0.164 0.000 0.806 550 A HN 0.499 nan 8.150 nan 0.000 0.451 551 K N -1.745 118.658 120.400 0.005 0.000 2.097 551 K HA -0.176 4.161 4.320 0.028 0.000 0.206 551 K C 1.722 178.112 176.600 -0.351 0.000 1.049 551 K CA 1.579 57.786 56.287 -0.133 0.000 0.933 551 K CB -0.312 32.103 32.500 -0.142 0.000 0.717 551 K HN 0.535 nan 8.250 nan 0.000 0.442 552 Y N -0.731 119.315 120.300 -0.424 0.000 2.145 552 Y HA -0.226 4.340 4.550 0.026 0.000 0.286 552 Y C 1.928 176.885 175.900 -1.571 0.000 1.145 552 Y CA 1.643 59.147 58.100 -0.993 0.000 1.148 552 Y CB -0.414 37.465 38.460 -0.969 0.000 0.981 552 Y HN 0.180 nan 8.280 nan 0.000 0.507 553 W N -0.094 120.767 121.300 -0.731 0.000 2.402 553 W HA -0.164 4.514 4.660 0.031 0.000 0.286 553 W C 2.593 178.942 176.519 -0.283 0.000 1.221 553 W CA 1.370 58.416 57.345 -0.499 0.000 1.257 553 W CB -0.495 28.755 29.460 -0.350 0.000 1.120 553 W HN 0.041 nan 8.180 nan 0.000 0.551 554 Q N 0.884 120.612 119.800 -0.120 0.000 2.084 554 Q HA -0.158 4.198 4.340 0.028 0.000 0.202 554 Q C 2.179 178.130 176.000 -0.082 0.000 0.978 554 Q CA 2.046 57.815 55.803 -0.056 0.000 0.844 554 Q CB -0.588 28.127 28.738 -0.039 0.000 0.898 554 Q HN 0.262 nan 8.270 nan 0.000 0.426 555 A N 0.284 122.970 122.820 -0.224 0.000 1.873 555 A HA -0.138 4.199 4.320 0.028 0.000 0.215 555 A C 1.858 179.422 177.584 -0.033 0.000 1.186 555 A CA 1.285 53.213 52.037 -0.181 0.000 0.616 555 A CB -0.866 17.909 19.000 -0.375 0.000 0.823 555 A HN 0.375 nan 8.150 nan 0.000 0.442 556 F N 0.236 120.023 119.950 -0.272 0.000 2.126 556 F HA -0.138 4.406 4.527 0.028 0.000 0.299 556 F C 2.516 178.219 175.800 -0.163 0.000 1.096 556 F CA 1.296 59.098 58.000 -0.332 0.000 1.255 556 F CB -0.834 37.743 39.000 -0.705 0.000 0.997 556 F HN 0.192 nan 8.300 nan 0.000 0.479 557 R N -0.313 120.244 120.500 0.094 0.000 2.148 557 R HA -0.126 4.230 4.340 0.028 0.000 0.223 557 R C 2.123 178.457 176.300 0.057 0.000 1.088 557 R CA 1.022 57.161 56.100 0.064 0.000 0.985 557 R CB -0.364 29.969 30.300 0.056 0.000 0.880 557 R HN 0.405 nan 8.270 nan 0.000 0.451 558 Q N -0.254 119.610 119.800 0.106 0.000 2.204 558 Q HA -0.034 4.322 4.340 0.028 0.000 0.198 558 Q C -0.410 175.628 176.000 0.063 0.000 0.946 558 Q CA 0.764 56.624 55.803 0.095 0.000 0.859 558 Q CB 0.391 29.221 28.738 0.152 0.000 0.946 558 Q HN 0.170 nan 8.270 nan 0.000 0.474 559 Y N 0.675 120.962 120.300 -0.023 0.000 2.404 559 Y HA 0.256 4.821 4.550 0.025 0.000 0.344 559 Y C -1.785 174.093 175.900 -0.036 0.000 0.970 559 Y CA -2.743 55.343 58.100 -0.023 0.000 1.180 559 Y CB 1.293 39.746 38.460 -0.012 0.000 1.138 559 Y HN 0.173 nan 8.280 nan 0.000 0.510 560 P HA -0.176 nan 4.420 nan 0.000 0.216 560 P C 1.119 178.418 177.300 -0.001 0.000 1.153 560 P CA 1.834 64.933 63.100 -0.002 0.000 0.858 560 P CB 0.296 31.979 31.700 -0.027 0.000 0.789 561 R N -1.196 119.322 120.500 0.031 0.000 2.323 561 R HA 0.112 4.468 4.340 0.028 0.000 0.198 561 R C 0.373 176.655 176.300 -0.030 0.000 0.988 561 R CA 0.093 56.194 56.100 0.002 0.000 1.041 561 R CB -0.422 29.892 30.300 0.023 0.000 0.926 561 R HN 0.242 nan 8.270 nan 0.000 0.476 562 L N 1.859 123.080 121.223 -0.004 0.000 2.282 562 L HA 0.155 4.511 4.340 0.028 0.000 0.287 562 L C 0.409 177.125 176.870 -0.256 0.000 1.075 562 L CA 0.121 54.911 54.840 -0.084 0.000 0.839 562 L CB 1.170 43.261 42.059 0.054 0.000 1.219 562 L HN 0.058 nan 8.230 nan 0.000 0.434 563 Q N 2.907 122.480 119.800 -0.377 0.000 2.237 563 Q HA 0.319 4.675 4.340 0.028 0.000 0.252 563 Q C 0.827 176.378 176.000 -0.748 0.000 0.877 563 Q CA 0.051 55.584 55.803 -0.450 0.000 1.011 563 Q CB 0.977 29.554 28.738 -0.268 0.000 1.118 563 Q HN 0.950 nan 8.270 nan 0.000 0.458 564 G N -0.391 107.518 108.800 -1.486 0.000 2.445 564 G HA2 0.065 4.041 3.960 0.028 0.000 0.212 564 G HA3 0.065 4.041 3.960 0.028 0.000 0.212 564 G C -0.176 173.871 174.900 -1.421 0.000 1.217 564 G CA -0.724 43.176 45.100 -1.999 0.000 1.002 564 G HN 0.653 nan 8.290 nan 0.000 0.574 565 G N -2.396 105.881 108.800 -0.872 0.000 2.320 565 G HA2 0.625 4.601 3.960 0.028 0.000 0.296 565 G HA3 0.625 4.601 3.960 0.028 0.000 0.296 565 G C -1.831 172.962 174.900 -0.178 0.000 1.306 565 G CA -0.155 44.648 45.100 -0.494 0.000 0.836 565 G HN 1.220 nan 8.290 nan 0.000 0.517 566 F N 0.731 120.906 119.950 0.375 0.000 2.403 566 F HA 0.522 5.064 4.527 0.026 0.000 0.355 566 F C 0.767 176.856 175.800 0.483 0.000 1.119 566 F CA -0.763 57.493 58.000 0.427 0.000 1.007 566 F CB 1.996 41.143 39.000 0.245 0.000 1.194 566 F HN 0.261 nan 8.300 nan 0.000 0.443 567 V N 3.371 123.585 119.914 0.499 0.000 2.788 567 V HA -0.155 3.982 4.120 0.028 0.000 0.307 567 V C -0.261 175.965 176.094 0.221 0.000 1.069 567 V CA -0.100 62.278 62.300 0.130 0.000 1.173 567 V CB 0.634 32.544 31.823 0.145 0.000 0.925 567 V HN 0.766 nan 8.190 nan 0.000 0.492 568 W N 6.637 127.996 121.300 0.098 0.000 2.296 568 W HA 0.481 5.157 4.660 0.027 0.000 0.316 568 W C -0.878 175.604 176.519 -0.062 0.000 1.022 568 W CA -0.723 56.699 57.345 0.128 0.000 1.324 568 W CB 1.380 31.060 29.460 0.366 0.000 1.227 568 W HN 0.921 nan 8.180 nan 0.000 0.409 569 D N 2.611 122.672 120.400 -0.566 0.000 3.009 569 D HA 0.108 4.765 4.640 0.028 0.000 0.318 569 D C 0.727 176.814 176.300 -0.355 0.000 1.273 569 D CA -0.515 53.048 54.000 -0.728 0.000 1.001 569 D CB 0.198 39.962 40.800 -1.728 0.000 1.411 569 D HN 0.384 nan 8.370 nan 0.000 0.577 570 W N 0.304 121.302 121.300 -0.503 0.000 2.413 570 W HA 0.159 4.836 4.660 0.028 0.000 0.315 570 W C -0.086 176.263 176.519 -0.283 0.000 1.186 570 W CA 1.179 58.302 57.345 -0.370 0.000 1.326 570 W CB 0.338 29.595 29.460 -0.339 0.000 1.153 570 W HN 0.146 nan 8.180 nan 0.000 0.489 571 V N 2.563 122.265 119.914 -0.354 0.000 2.709 571 V HA 0.236 4.372 4.120 0.028 0.000 0.308 571 V C -0.790 175.145 176.094 -0.265 0.000 1.062 571 V CA -0.858 61.199 62.300 -0.405 0.000 0.901 571 V CB 1.528 33.182 31.823 -0.282 0.000 1.003 571 V HN -0.085 nan 8.190 nan 0.000 0.425 572 D N 3.977 124.239 120.400 -0.230 0.000 2.506 572 D HA 0.074 4.731 4.640 0.028 0.000 0.234 572 D C 0.254 176.401 176.300 -0.254 0.000 1.143 572 D CA 0.641 54.538 54.000 -0.171 0.000 0.871 572 D CB 0.810 41.587 40.800 -0.037 0.000 1.190 572 D HN 0.619 nan 8.370 nan 0.000 0.459 573 Q N 0.772 120.354 119.800 -0.364 0.000 2.823 573 Q HA 0.129 4.485 4.340 0.028 0.000 0.370 573 Q C -0.161 175.782 176.000 -0.095 0.000 1.110 573 Q CA -0.345 54.991 55.803 -0.778 0.000 0.990 573 Q CB 0.189 28.603 28.738 -0.540 0.000 1.383 573 Q HN 0.368 nan 8.270 nan 0.000 0.430 574 S N -0.340 115.428 115.700 0.114 0.000 2.610 574 S HA 0.605 5.092 4.470 0.028 0.000 0.273 574 S C -0.077 174.697 174.600 0.289 0.000 1.274 574 S CA -0.722 57.657 58.200 0.300 0.000 1.023 574 S CB 1.356 64.711 63.200 0.258 0.000 0.962 574 S HN 0.299 nan 8.310 nan 0.000 0.523 575 L N 1.792 123.112 121.223 0.162 0.000 2.333 575 L HA 0.533 4.890 4.340 0.028 0.000 0.269 575 L C -0.378 176.393 176.870 -0.166 0.000 1.010 575 L CA -1.247 53.560 54.840 -0.054 0.000 0.818 575 L CB 1.353 43.276 42.059 -0.226 0.000 1.306 575 L HN 0.543 nan 8.230 nan 0.000 0.430 576 I N 2.258 122.664 120.570 -0.273 0.000 2.441 576 I HA 0.290 4.477 4.170 0.028 0.000 0.287 576 I C 0.125 175.786 176.117 -0.759 0.000 1.049 576 I CA 0.006 61.005 61.300 -0.501 0.000 1.381 576 I CB 0.923 38.657 38.000 -0.444 0.000 1.409 576 I HN 0.592 nan 8.210 nan 0.000 0.523 577 K N 5.253 124.914 120.400 -1.231 0.000 2.395 577 K HA 0.597 4.933 4.320 0.028 0.000 0.245 577 K C -1.606 174.116 176.600 -1.463 0.000 1.017 577 K CA -0.755 54.708 56.287 -1.373 0.000 0.852 577 K CB 2.505 33.893 32.500 -1.853 0.000 1.311 577 K HN 0.216 nan 8.250 nan 0.000 0.452 578 Y N 0.577 120.628 120.300 -0.414 0.000 2.446 578 Y HA 0.163 4.730 4.550 0.028 0.000 0.345 578 Y C 0.073 176.093 175.900 0.200 0.000 0.984 578 Y CA -1.126 56.928 58.100 -0.076 0.000 1.058 578 Y CB 1.326 39.751 38.460 -0.059 0.000 1.220 578 Y HN 0.676 nan 8.280 nan 0.000 0.455 579 D N -0.245 120.421 120.400 0.442 0.000 2.478 579 D HA 0.134 4.791 4.640 0.028 0.000 0.269 579 D C 0.576 176.983 176.300 0.178 0.000 1.232 579 D CA -0.396 53.786 54.000 0.304 0.000 1.059 579 D CB 0.517 41.433 40.800 0.193 0.000 1.104 579 D HN 0.645 nan 8.370 nan 0.000 0.566 580 E N -0.775 119.488 120.200 0.106 0.000 2.097 580 E HA -0.207 4.160 4.350 0.028 0.000 0.196 580 E C 1.349 177.984 176.600 0.059 0.000 1.000 580 E CA 1.167 57.606 56.400 0.065 0.000 0.804 580 E CB -0.222 29.500 29.700 0.036 0.000 0.740 580 E HN 0.376 nan 8.360 nan 0.000 0.454 581 N N -0.310 118.430 118.700 0.068 0.000 2.550 581 N HA -0.049 4.707 4.740 0.028 0.000 0.186 581 N C 1.014 176.561 175.510 0.061 0.000 1.110 581 N CA 1.064 54.147 53.050 0.055 0.000 0.912 581 N CB 0.799 39.320 38.487 0.057 0.000 0.968 581 N HN 0.339 nan 8.380 nan 0.000 0.448 582 G N 0.724 109.580 108.800 0.095 0.000 2.136 582 G HA2 -0.238 3.738 3.960 0.028 0.000 0.242 582 G HA3 -0.238 3.738 3.960 0.028 0.000 0.242 582 G C -0.134 174.865 174.900 0.166 0.000 0.989 582 G CA -0.340 44.807 45.100 0.079 0.000 0.682 582 G HN 0.271 nan 8.290 nan 0.000 0.522 583 N N 1.625 120.455 118.700 0.217 0.000 2.518 583 N HA 0.443 5.199 4.740 0.028 0.000 0.283 583 N C -2.364 173.337 175.510 0.317 0.000 1.119 583 N CA -1.116 52.075 53.050 0.235 0.000 0.983 583 N CB 1.798 40.383 38.487 0.163 0.000 1.139 583 N HN 0.195 nan 8.380 nan 0.000 0.465 584 P HA 0.221 nan 4.420 nan 0.000 0.279 584 P C -0.591 176.712 177.300 0.006 0.000 1.239 584 P CA -0.277 62.793 63.100 -0.049 0.000 0.789 584 P CB 0.673 32.340 31.700 -0.055 0.000 0.933 585 W N -0.007 121.097 121.300 -0.327 0.000 3.107 585 W HA 0.451 5.128 4.660 0.028 0.000 0.331 585 W C -1.448 174.902 176.519 -0.282 0.000 1.204 585 W CA -1.164 55.977 57.345 -0.340 0.000 1.184 585 W CB 0.524 29.541 29.460 -0.739 0.000 1.421 585 W HN 0.125 nan 8.180 nan 0.000 0.544 586 S N 1.630 117.427 115.700 0.161 0.000 2.439 586 S HA 0.572 5.058 4.470 0.028 0.000 0.282 586 S C 0.193 174.982 174.600 0.314 0.000 1.170 586 S CA -0.283 57.999 58.200 0.137 0.000 1.054 586 S CB 0.750 64.082 63.200 0.220 0.000 0.956 586 S HN 0.593 nan 8.310 nan 0.000 0.490 587 A N 3.112 125.959 122.820 0.045 0.000 2.311 587 A HA 0.914 5.251 4.320 0.028 0.000 0.334 587 A C -0.711 177.116 177.584 0.405 0.000 1.139 587 A CA -0.692 51.430 52.037 0.141 0.000 0.830 587 A CB 0.659 19.432 19.000 -0.379 0.000 1.234 587 A HN 0.836 nan 8.150 nan 0.000 0.483 588 Y N -1.324 119.307 120.300 0.552 0.000 2.965 588 Y HA 0.745 5.312 4.550 0.028 0.000 0.310 588 Y C 0.640 176.893 175.900 0.587 0.000 1.480 588 Y CA -1.433 56.982 58.100 0.524 0.000 1.094 588 Y CB -0.096 38.508 38.460 0.240 0.000 1.377 588 Y HN 0.977 nan 8.280 nan 0.000 0.514 589 G N -0.022 109.163 108.800 0.642 0.000 2.187 589 G HA2 0.354 4.330 3.960 0.028 0.000 0.239 589 G HA3 0.354 4.330 3.960 0.028 0.000 0.239 589 G C 0.998 176.234 174.900 0.560 0.000 1.200 589 G CA 0.582 45.994 45.100 0.519 0.000 0.888 589 G HN 2.025 nan 8.290 nan 0.000 0.482 590 G N 2.019 111.107 108.800 0.479 0.000 2.225 590 G HA2 -0.270 3.707 3.960 0.028 0.000 0.254 590 G HA3 -0.270 3.707 3.960 0.028 0.000 0.254 590 G C 0.848 175.942 174.900 0.324 0.000 0.988 590 G CA 0.674 45.995 45.100 0.367 0.000 0.625 590 G HN 0.656 nan 8.290 nan 0.000 0.527 591 D N -0.333 120.276 120.400 0.349 0.000 2.363 591 D HA 0.177 4.833 4.640 0.028 0.000 0.226 591 D C 1.196 177.384 176.300 -0.186 0.000 1.020 591 D CA 0.418 54.462 54.000 0.074 0.000 0.892 591 D CB -0.134 40.652 40.800 -0.024 0.000 0.900 591 D HN 0.467 nan 8.370 nan 0.000 0.531 592 F N -0.597 119.475 119.950 0.205 0.000 2.668 592 F HA 0.304 4.848 4.527 0.028 0.000 0.301 592 F C 1.735 177.619 175.800 0.139 0.000 1.106 592 F CA -0.267 57.814 58.000 0.135 0.000 1.289 592 F CB 0.732 39.805 39.000 0.122 0.000 1.006 592 F HN -0.065 nan 8.300 nan 0.000 0.535 593 G N 0.600 109.558 108.800 0.263 0.000 2.162 593 G HA2 -0.280 3.697 3.960 0.028 0.000 0.260 593 G HA3 -0.280 3.697 3.960 0.028 0.000 0.260 593 G C -0.206 174.830 174.900 0.227 0.000 0.976 593 G CA 0.206 45.428 45.100 0.203 0.000 0.655 593 G HN 0.426 nan 8.290 nan 0.000 0.533 594 D N 0.308 120.890 120.400 0.303 0.000 2.383 594 D HA 0.513 5.170 4.640 0.028 0.000 0.252 594 D C 0.040 176.462 176.300 0.202 0.000 1.166 594 D CA 0.751 54.916 54.000 0.276 0.000 0.879 594 D CB 1.694 42.714 40.800 0.366 0.000 1.164 594 D HN 0.276 nan 8.370 nan 0.000 0.462 595 T N 1.410 116.053 114.554 0.149 0.000 3.097 595 T HA 0.420 4.787 4.350 0.028 0.000 0.332 595 T C -2.709 172.031 174.700 0.066 0.000 1.269 595 T CA -1.100 61.058 62.100 0.097 0.000 1.076 595 T CB 1.069 69.993 68.868 0.095 0.000 1.209 595 T HN 0.205 nan 8.240 nan 0.000 0.474 596 P HA 0.510 nan 4.420 nan 0.000 0.271 596 P C -1.005 176.282 177.300 -0.022 0.000 1.233 596 P CA -0.260 62.837 63.100 -0.005 0.000 0.789 596 P CB 0.352 32.026 31.700 -0.043 0.000 0.951 597 N N -1.956 116.717 118.700 -0.045 0.000 2.823 597 N HA 0.247 5.003 4.740 0.028 0.000 0.251 597 N C -1.376 174.058 175.510 -0.125 0.000 1.392 597 N CA -0.761 52.233 53.050 -0.093 0.000 0.864 597 N CB 0.788 39.312 38.487 0.063 0.000 1.481 597 N HN 0.077 nan 8.380 nan 0.000 0.508 598 D N 0.256 120.509 120.400 -0.244 0.000 2.615 598 D HA 0.242 4.898 4.640 0.028 0.000 0.236 598 D C 0.271 176.682 176.300 0.186 0.000 1.233 598 D CA -0.147 53.782 54.000 -0.119 0.000 0.829 598 D CB 0.122 40.744 40.800 -0.297 0.000 1.024 598 D HN 0.544 nan 8.370 nan 0.000 0.490 599 R N 0.753 121.397 120.500 0.240 0.000 3.707 599 R HA -0.282 4.075 4.340 0.028 0.000 0.504 599 R C 1.559 177.877 176.300 0.030 0.000 0.241 599 R CA 2.038 58.287 56.100 0.248 0.000 1.576 599 R CB -1.296 29.040 30.300 0.060 0.000 0.924 599 R HN 0.228 nan 8.270 nan 0.000 0.597 600 Q N 1.523 121.036 119.800 -0.479 0.000 2.482 600 Q HA -0.060 4.296 4.340 0.028 0.000 0.209 600 Q C 1.437 177.299 176.000 -0.230 0.000 0.961 600 Q CA 1.134 56.533 55.803 -0.673 0.000 0.945 600 Q CB 0.034 28.190 28.738 -0.970 0.000 1.012 600 Q HN 0.568 nan 8.270 nan 0.000 0.515 601 F N 2.127 121.985 119.950 -0.153 0.000 2.641 601 F HA -0.068 4.475 4.527 0.027 0.000 0.298 601 F C 1.793 177.561 175.800 -0.054 0.000 1.146 601 F CA 0.311 58.301 58.000 -0.016 0.000 1.464 601 F CB -0.081 38.973 39.000 0.090 0.000 1.101 601 F HN 0.424 nan 8.300 nan 0.000 0.585 602 C N -1.073 117.939 119.300 -0.481 0.000 2.626 602 C HA 0.281 4.758 4.460 0.028 0.000 0.266 602 C C 0.998 175.751 174.990 -0.395 0.000 1.317 602 C CA -0.484 58.081 59.018 -0.755 0.000 1.716 602 C CB -1.844 24.930 27.740 -1.611 0.000 1.819 602 C HN 0.206 nan 8.230 nan 0.000 0.578 603 M N 2.717 122.147 119.600 -0.285 0.000 2.208 603 M HA 0.283 4.779 4.480 0.028 0.000 0.352 603 M C -0.493 175.677 176.300 -0.216 0.000 1.137 603 M CA 0.323 55.510 55.300 -0.190 0.000 1.091 603 M CB -0.096 32.454 32.600 -0.084 0.000 1.309 603 M HN 0.359 nan 8.290 nan 0.000 0.408 604 N N 0.670 119.224 118.700 -0.244 0.000 2.299 604 N HA 0.201 4.958 4.740 0.028 0.000 0.246 604 N C 0.431 175.732 175.510 -0.348 0.000 1.254 604 N CA -0.523 52.331 53.050 -0.327 0.000 0.879 604 N CB 1.148 39.430 38.487 -0.342 0.000 1.214 604 N HN 0.638 nan 8.380 nan 0.000 0.510 605 G N 0.003 108.630 108.800 -0.287 0.000 2.537 605 G HA2 0.311 4.288 3.960 0.028 0.000 0.273 605 G HA3 0.311 4.288 3.960 0.028 0.000 0.273 605 G C 0.697 175.466 174.900 -0.217 0.000 1.189 605 G CA -0.532 44.383 45.100 -0.307 0.000 0.881 605 G HN 0.134 nan 8.290 nan 0.000 0.535 606 L N -0.016 121.011 121.223 -0.326 0.000 2.418 606 L HA 0.131 4.488 4.340 0.028 0.000 0.218 606 L C 0.886 177.536 176.870 -0.367 0.000 1.125 606 L CA 0.326 55.008 54.840 -0.264 0.000 0.835 606 L CB -0.286 41.607 42.059 -0.276 0.000 0.953 606 L HN 0.403 nan 8.230 nan 0.000 0.454 607 V N -5.159 114.353 119.914 -0.670 0.000 3.040 607 V HA 0.489 4.625 4.120 0.028 0.000 0.312 607 V C -0.229 175.372 176.094 -0.821 0.000 1.115 607 V CA -1.259 60.551 62.300 -0.816 0.000 0.998 607 V CB 1.667 32.991 31.823 -0.831 0.000 1.042 607 V HN -0.152 nan 8.190 nan 0.000 0.433 608 F N 1.555 121.081 119.950 -0.707 0.000 2.435 608 F HA 0.586 5.130 4.527 0.028 0.000 0.316 608 F C 1.947 177.578 175.800 -0.282 0.000 1.220 608 F CA 0.645 58.380 58.000 -0.443 0.000 1.241 608 F CB 0.692 39.478 39.000 -0.358 0.000 1.234 608 F HN 0.781 nan 8.300 nan 0.000 0.569 609 A N 0.595 123.450 122.820 0.059 0.000 1.978 609 A HA -0.207 4.130 4.320 0.028 0.000 0.220 609 A C 1.616 179.155 177.584 -0.075 0.000 1.170 609 A CA 1.857 53.902 52.037 0.014 0.000 0.636 609 A CB -0.992 18.059 19.000 0.084 0.000 0.810 609 A HN 0.778 nan 8.150 nan 0.000 0.448 610 D N -2.665 117.697 120.400 -0.063 0.000 2.319 610 D HA 0.110 4.766 4.640 0.028 0.000 0.230 610 D C 0.569 176.820 176.300 -0.082 0.000 1.094 610 D CA -0.038 53.899 54.000 -0.106 0.000 0.856 610 D CB -0.201 40.541 40.800 -0.098 0.000 0.915 610 D HN 0.175 nan 8.370 nan 0.000 0.517 611 R N -1.583 118.864 120.500 -0.088 0.000 3.936 611 R HA -0.124 4.232 4.340 0.028 0.000 0.366 611 R C -0.445 175.805 176.300 -0.084 0.000 1.158 611 R CA 1.000 57.040 56.100 -0.101 0.000 0.969 611 R CB -3.191 27.097 30.300 -0.020 0.000 1.504 611 R HN 0.238 nan 8.270 nan 0.000 0.538 612 T N 1.904 116.435 114.554 -0.039 0.000 2.869 612 T HA 0.384 4.751 4.350 0.028 0.000 0.295 612 T C -2.332 172.373 174.700 0.009 0.000 0.987 612 T CA -1.052 61.049 62.100 0.001 0.000 1.109 612 T CB 1.189 70.033 68.868 -0.039 0.000 0.932 612 T HN -0.104 nan 8.240 nan 0.000 0.518 613 P HA 0.202 nan 4.420 nan 0.000 0.271 613 P C -0.455 176.768 177.300 -0.128 0.000 1.216 613 P CA -0.151 62.871 63.100 -0.129 0.000 0.776 613 P CB 0.398 32.070 31.700 -0.046 0.000 0.881 614 H N 2.799 121.725 119.070 -0.239 0.000 2.488 614 H HA 0.183 4.756 4.556 0.028 0.000 0.347 614 H C -1.282 173.956 175.328 -0.151 0.000 1.174 614 H CA -1.735 54.134 56.048 -0.298 0.000 1.307 614 H CB 0.561 30.089 29.762 -0.389 0.000 1.517 614 H HN 0.358 nan 8.280 nan 0.000 0.554 615 P HA -0.197 nan 4.420 nan 0.000 0.218 615 P C 0.973 178.275 177.300 0.004 0.000 1.148 615 P CA 1.641 64.743 63.100 0.003 0.000 0.822 615 P CB 0.096 31.802 31.700 0.009 0.000 0.784 616 A N -0.618 122.198 122.820 -0.007 0.000 2.024 616 A HA -0.195 4.142 4.320 0.028 0.000 0.220 616 A C 2.047 179.587 177.584 -0.073 0.000 1.164 616 A CA 1.250 53.247 52.037 -0.066 0.000 0.643 616 A CB -1.574 17.349 19.000 -0.128 0.000 0.806 616 A HN 0.161 nan 8.150 nan 0.000 0.451 617 L N -0.538 120.671 121.223 -0.025 0.000 2.042 617 L HA -0.133 4.223 4.340 0.028 0.000 0.210 617 L C 2.503 179.425 176.870 0.087 0.000 1.076 617 L CA 2.784 57.647 54.840 0.039 0.000 0.749 617 L CB -1.134 40.947 42.059 0.037 0.000 0.893 617 L HN 0.378 nan 8.230 nan 0.000 0.432 618 T N -1.639 112.967 114.554 0.086 0.000 2.867 618 T HA -0.190 4.176 4.350 0.028 0.000 0.268 618 T C 1.804 176.613 174.700 0.183 0.000 1.057 618 T CA 1.394 63.595 62.100 0.170 0.000 1.136 618 T CB -0.118 68.828 68.868 0.129 0.000 0.874 618 T HN 0.474 nan 8.240 nan 0.000 0.466 619 E N 0.866 121.116 120.200 0.083 0.000 2.077 619 E HA 0.035 4.402 4.350 0.028 0.000 0.193 619 E C 2.157 178.784 176.600 0.044 0.000 0.989 619 E CA 1.420 57.875 56.400 0.091 0.000 0.800 619 E CB -0.628 29.087 29.700 0.025 0.000 0.746 619 E HN 0.531 nan 8.360 nan 0.000 0.452 620 A N 1.020 123.754 122.820 -0.144 0.000 1.877 620 A HA -0.227 4.110 4.320 0.028 0.000 0.216 620 A C 2.190 179.671 177.584 -0.172 0.000 1.186 620 A CA 1.949 53.852 52.037 -0.224 0.000 0.620 620 A CB -0.665 18.206 19.000 -0.216 0.000 0.822 620 A HN 0.268 nan 8.150 nan 0.000 0.443 621 K N -1.305 119.059 120.400 -0.060 0.000 2.032 621 K HA -0.296 4.040 4.320 0.028 0.000 0.209 621 K C 2.065 178.551 176.600 -0.190 0.000 1.048 621 K CA 2.050 58.302 56.287 -0.058 0.000 0.927 621 K CB -0.356 32.261 32.500 0.196 0.000 0.712 621 K HN 0.646 nan 8.250 nan 0.000 0.441 622 H N 0.588 119.481 119.070 -0.295 0.000 2.293 622 H HA -0.075 4.498 4.556 0.028 0.000 0.300 622 H C 2.047 177.095 175.328 -0.468 0.000 1.082 622 H CA 2.032 57.725 56.048 -0.592 0.000 1.308 622 H CB -0.031 29.473 29.762 -0.430 0.000 1.375 622 H HN 0.234 nan 8.280 nan 0.000 0.495 623 Q N 0.266 119.818 119.800 -0.413 0.000 2.170 623 Q HA -0.122 4.235 4.340 0.028 0.000 0.203 623 Q C 1.844 177.263 176.000 -0.969 0.000 0.976 623 Q CA 1.376 56.830 55.803 -0.581 0.000 0.858 623 Q CB -0.101 28.418 28.738 -0.365 0.000 0.907 623 Q HN 0.712 nan 8.270 nan 0.000 0.433 624 Q N 0.209 119.394 119.800 -1.025 0.000 2.365 624 Q HA 0.054 4.411 4.340 0.028 0.000 0.203 624 Q C -0.061 175.345 176.000 -0.990 0.000 0.929 624 Q CA -0.215 54.835 55.803 -1.255 0.000 0.948 624 Q CB 0.260 28.322 28.738 -1.127 0.000 1.043 624 Q HN 0.397 nan 8.270 nan 0.000 0.505 625 Q N -0.349 119.022 119.800 -0.715 0.000 2.369 625 Q HA -0.080 4.277 4.340 0.028 0.000 0.295 625 Q C -0.169 175.426 176.000 -0.674 0.000 1.075 625 Q CA 0.440 55.946 55.803 -0.495 0.000 0.941 625 Q CB 0.397 28.931 28.738 -0.341 0.000 1.260 625 Q HN 0.302 nan 8.270 nan 0.000 0.417 626 F N 0.434 120.105 119.950 -0.466 0.000 2.727 626 F HA 0.218 4.762 4.527 0.027 0.000 0.302 626 F C -0.237 174.972 175.800 -0.984 0.000 1.097 626 F CA -0.015 57.476 58.000 -0.849 0.000 1.330 626 F CB 0.515 38.664 39.000 -1.417 0.000 1.084 626 F HN 0.293 nan 8.300 nan 0.000 0.578 627 F N 0.377 120.214 119.950 -0.188 0.000 2.529 627 F HA 0.494 5.038 4.527 0.029 0.000 0.320 627 F C -0.156 175.252 175.800 -0.653 0.000 1.118 627 F CA -1.215 56.573 58.000 -0.353 0.000 0.915 627 F CB 1.323 40.172 39.000 -0.253 0.000 1.161 627 F HN -0.311 nan 8.300 nan 0.000 0.445 628 Q N 3.091 122.598 119.800 -0.489 0.000 2.306 628 Q HA 0.597 4.954 4.340 0.028 0.000 0.265 628 Q C -1.323 174.341 176.000 -0.559 0.000 1.022 628 Q CA -0.588 54.955 55.803 -0.432 0.000 0.853 628 Q CB 2.775 31.407 28.738 -0.177 0.000 1.327 628 Q HN 0.523 nan 8.270 nan 0.000 0.449 629 F N 0.227 120.310 119.950 0.220 0.000 2.577 629 F HA 0.626 5.170 4.527 0.029 0.000 0.318 629 F C 0.222 176.272 175.800 0.417 0.000 1.065 629 F CA -0.871 57.342 58.000 0.354 0.000 0.929 629 F CB 1.962 41.320 39.000 0.598 0.000 1.237 629 F HN 0.178 nan 8.300 nan 0.000 0.468 630 R N 1.395 122.190 120.500 0.491 0.000 2.651 630 R HA 0.702 5.059 4.340 0.028 0.000 0.278 630 R C -2.061 174.239 176.300 -0.001 0.000 1.010 630 R CA -1.119 55.166 56.100 0.309 0.000 0.896 630 R CB 2.823 33.221 30.300 0.164 0.000 1.211 630 R HN 0.545 nan 8.270 nan 0.000 0.456 631 L N 0.975 122.077 121.223 -0.202 0.000 2.341 631 L HA 0.600 4.957 4.340 0.028 0.000 0.278 631 L C -1.070 175.645 176.870 -0.258 0.000 1.005 631 L CA 0.057 54.582 54.840 -0.525 0.000 0.818 631 L CB 2.080 43.412 42.059 -1.212 0.000 1.259 631 L HN 0.565 nan 8.230 nan 0.000 0.418 632 S N 3.793 119.363 115.700 -0.216 0.000 2.779 632 S HA 0.702 5.189 4.470 0.028 0.000 0.293 632 S C 0.328 174.841 174.600 -0.145 0.000 1.150 632 S CA 0.243 58.362 58.200 -0.134 0.000 1.057 632 S CB 0.433 63.583 63.200 -0.084 0.000 1.021 632 S HN 1.588 nan 8.310 nan 0.000 0.485 633 G N 4.525 113.246 108.800 -0.132 0.000 2.602 633 G HA2 -0.287 3.690 3.960 0.028 0.000 0.310 633 G HA3 -0.287 3.690 3.960 0.028 0.000 0.310 633 G C 0.219 175.020 174.900 -0.165 0.000 1.183 633 G CA 0.712 45.737 45.100 -0.124 0.000 0.979 633 G HN 0.724 nan 8.290 nan 0.000 0.545 634 Q N 0.887 120.589 119.800 -0.163 0.000 2.157 634 Q HA 0.295 4.651 4.340 0.028 0.000 0.229 634 Q C -0.370 175.497 176.000 -0.220 0.000 0.827 634 Q CA 0.247 55.927 55.803 -0.205 0.000 1.055 634 Q CB 1.022 29.651 28.738 -0.182 0.000 1.157 634 Q HN 0.430 nan 8.270 nan 0.000 0.482 635 T N 1.234 115.669 114.554 -0.198 0.000 2.770 635 T HA 0.480 4.847 4.350 0.028 0.000 0.283 635 T C -0.007 174.575 174.700 -0.197 0.000 0.988 635 T CA -0.307 61.692 62.100 -0.169 0.000 0.957 635 T CB 1.100 69.901 68.868 -0.111 0.000 0.930 635 T HN 0.094 nan 8.240 nan 0.000 0.443 636 I N 2.938 123.401 120.570 -0.178 0.000 2.331 636 I HA 0.292 4.479 4.170 0.028 0.000 0.292 636 I C 0.600 176.715 176.117 -0.002 0.000 0.998 636 I CA -0.539 60.673 61.300 -0.147 0.000 1.267 636 I CB 1.133 39.060 38.000 -0.121 0.000 1.386 636 I HN 0.567 nan 8.210 nan 0.000 0.476 637 E N 6.733 126.963 120.200 0.051 0.000 2.109 637 E HA 0.395 4.761 4.350 0.028 0.000 0.278 637 E C -1.481 175.225 176.600 0.176 0.000 0.954 637 E CA -0.606 55.848 56.400 0.089 0.000 0.779 637 E CB 1.532 31.265 29.700 0.057 0.000 1.093 637 E HN 0.353 nan 8.360 nan 0.000 0.401 638 V N 4.586 124.597 119.914 0.161 0.000 2.347 638 V HA 0.262 4.398 4.120 0.028 0.000 0.280 638 V C 0.021 176.159 176.094 0.072 0.000 1.021 638 V CA -0.559 61.824 62.300 0.138 0.000 0.847 638 V CB 1.474 33.413 31.823 0.194 0.000 0.990 638 V HN 0.691 nan 8.190 nan 0.000 0.444 639 T N 3.496 118.050 114.554 0.000 0.000 2.824 639 T HA 0.365 4.732 4.350 0.028 0.000 0.280 639 T C 0.070 174.793 174.700 0.037 0.000 0.995 639 T CA -0.229 61.880 62.100 0.015 0.000 1.009 639 T CB 1.562 70.415 68.868 -0.025 0.000 0.955 639 T HN 0.659 nan 8.240 nan 0.000 0.452 640 S N 1.590 117.326 115.700 0.060 0.000 2.508 640 S HA 0.244 4.731 4.470 0.028 0.000 0.284 640 S C 0.676 175.187 174.600 -0.148 0.000 1.192 640 S CA -0.641 57.556 58.200 -0.005 0.000 1.070 640 S CB 0.630 63.908 63.200 0.130 0.000 1.004 640 S HN 0.718 nan 8.310 nan 0.000 0.493 641 E N 2.872 122.883 120.200 -0.315 0.000 2.476 641 E HA 0.093 4.459 4.350 0.028 0.000 0.196 641 E C -0.820 175.621 176.600 -0.266 0.000 1.029 641 E CA -0.100 56.134 56.400 -0.276 0.000 0.896 641 E CB 0.293 29.802 29.700 -0.318 0.000 1.012 641 E HN 0.642 nan 8.360 nan 0.000 0.475 642 Y N 0.499 120.690 120.300 -0.180 0.000 2.397 642 Y HA 0.021 4.588 4.550 0.028 0.000 0.335 642 Y C 1.386 177.112 175.900 -0.290 0.000 1.213 642 Y CA 0.337 58.318 58.100 -0.198 0.000 1.391 642 Y CB 0.667 38.992 38.460 -0.225 0.000 1.293 642 Y HN -0.046 nan 8.280 nan 0.000 0.557 643 L N 1.118 122.157 121.223 -0.306 0.000 2.515 643 L HA 0.060 4.417 4.340 0.028 0.000 0.223 643 L C 0.567 176.909 176.870 -0.880 0.000 1.079 643 L CA 0.500 54.892 54.840 -0.746 0.000 0.857 643 L CB 0.035 41.350 42.059 -1.241 0.000 1.050 643 L HN 0.556 nan 8.230 nan 0.000 0.476 644 F N -0.525 119.429 119.950 0.006 0.000 2.640 644 F HA 0.212 4.755 4.527 0.026 0.000 0.285 644 F C 1.286 177.065 175.800 -0.036 0.000 1.031 644 F CA -0.765 57.215 58.000 -0.033 0.000 1.240 644 F CB 0.010 38.975 39.000 -0.059 0.000 1.011 644 F HN -0.141 nan 8.300 nan 0.000 0.656 645 R N 0.455 120.990 120.500 0.058 0.000 2.500 645 R HA 0.364 4.721 4.340 0.028 0.000 0.277 645 R C -0.479 175.800 176.300 -0.036 0.000 1.026 645 R CA -0.530 55.558 56.100 -0.021 0.000 1.058 645 R CB 0.680 30.867 30.300 -0.188 0.000 1.078 645 R HN 0.110 nan 8.270 nan 0.000 0.509 646 H N 0.467 119.523 119.070 -0.022 0.000 2.508 646 H HA 0.068 4.641 4.556 0.028 0.000 0.358 646 H C 0.113 175.460 175.328 0.033 0.000 1.212 646 H CA 0.123 56.192 56.048 0.034 0.000 1.356 646 H CB 1.757 31.543 29.762 0.040 0.000 1.525 646 H HN 0.776 nan 8.280 nan 0.000 0.578 647 S N 0.798 116.642 115.700 0.240 0.000 4.183 647 S HA -0.029 4.457 4.470 0.028 0.000 0.195 647 S C 0.130 174.831 174.600 0.169 0.000 1.421 647 S CA -0.668 57.679 58.200 0.245 0.000 0.920 647 S CB -0.903 62.489 63.200 0.320 0.000 1.525 647 S HN 0.547 nan 8.310 nan 0.000 0.447 648 D N 0.605 121.078 120.400 0.122 0.000 2.325 648 D HA 0.086 4.743 4.640 0.028 0.000 0.234 648 D C 0.418 176.757 176.300 0.066 0.000 1.122 648 D CA -0.196 53.854 54.000 0.083 0.000 0.850 648 D CB -0.267 40.566 40.800 0.055 0.000 0.921 648 D HN 0.507 nan 8.370 nan 0.000 0.513 649 N N -0.065 118.685 118.700 0.083 0.000 2.604 649 N HA 0.123 4.880 4.740 0.028 0.000 0.284 649 N C -1.547 174.026 175.510 0.104 0.000 1.716 649 N CA -0.201 52.894 53.050 0.075 0.000 0.859 649 N CB 0.329 38.850 38.487 0.058 0.000 1.403 649 N HN -0.063 nan 8.380 nan 0.000 0.501 650 E N -0.108 120.150 120.200 0.098 0.000 2.314 650 E HA 0.572 4.939 4.350 0.028 0.000 0.272 650 E C -1.738 174.896 176.600 0.058 0.000 0.884 650 E CA -0.693 55.754 56.400 0.079 0.000 0.753 650 E CB 2.481 32.206 29.700 0.042 0.000 1.213 650 E HN 0.181 nan 8.360 nan 0.000 0.432 651 L N 2.780 124.038 121.223 0.059 0.000 2.436 651 L HA 0.558 4.915 4.340 0.028 0.000 0.268 651 L C -2.007 174.945 176.870 0.137 0.000 0.974 651 L CA -0.870 54.038 54.840 0.114 0.000 0.826 651 L CB 1.696 43.855 42.059 0.167 0.000 1.291 651 L HN 0.559 nan 8.230 nan 0.000 0.406 652 L N 5.178 126.516 121.223 0.192 0.000 2.257 652 L HA 0.471 4.828 4.340 0.028 0.000 0.290 652 L C -0.765 176.328 176.870 0.373 0.000 1.044 652 L CA 0.288 55.265 54.840 0.229 0.000 0.810 652 L CB 0.415 42.598 42.059 0.207 0.000 1.193 652 L HN 0.629 nan 8.230 nan 0.000 0.425 653 H N 5.798 124.931 119.070 0.105 0.000 2.467 653 H HA 0.367 4.940 4.556 0.028 0.000 0.326 653 H C -1.087 174.319 175.328 0.130 0.000 1.094 653 H CA -0.767 55.309 56.048 0.046 0.000 1.253 653 H CB 0.970 30.725 29.762 -0.012 0.000 1.439 653 H HN 0.701 nan 8.280 nan 0.000 0.479 654 W N 3.457 124.834 121.300 0.129 0.000 2.781 654 W HA 0.577 5.254 4.660 0.028 0.000 0.345 654 W C -1.629 174.938 176.519 0.079 0.000 1.085 654 W CA -1.292 56.113 57.345 0.100 0.000 1.198 654 W CB 1.481 30.984 29.460 0.072 0.000 1.423 654 W HN 0.403 nan 8.180 nan 0.000 0.532 655 M N 3.260 123.071 119.600 0.352 0.000 2.284 655 M HA 0.488 4.984 4.480 0.028 0.000 0.281 655 M C -2.479 174.011 176.300 0.315 0.000 1.083 655 M CA -0.603 54.798 55.300 0.167 0.000 0.965 655 M CB 1.745 34.367 32.600 0.036 0.000 1.717 655 M HN 0.215 nan 8.290 nan 0.000 0.479 656 V N 4.204 124.308 119.914 0.316 0.000 2.417 656 V HA 1.010 5.147 4.120 0.028 0.000 0.291 656 V C -0.272 175.935 176.094 0.188 0.000 1.024 656 V CA -0.253 62.221 62.300 0.290 0.000 0.861 656 V CB 1.154 33.166 31.823 0.316 0.000 0.985 656 V HN 1.038 nan 8.190 nan 0.000 0.436 657 A N 4.531 127.470 122.820 0.200 0.000 2.475 657 A HA 0.851 5.187 4.320 0.028 0.000 0.301 657 A C -1.356 176.349 177.584 0.202 0.000 1.059 657 A CA -0.633 51.492 52.037 0.145 0.000 0.710 657 A CB 1.676 20.720 19.000 0.074 0.000 1.288 657 A HN 0.822 nan 8.150 nan 0.000 0.408 658 L N 1.940 123.250 121.223 0.144 0.000 2.259 658 L HA 0.423 4.780 4.340 0.028 0.000 0.288 658 L C -0.399 176.569 176.870 0.164 0.000 1.051 658 L CA 0.241 55.178 54.840 0.161 0.000 0.824 658 L CB -0.194 41.926 42.059 0.101 0.000 1.206 658 L HN 0.746 nan 8.230 nan 0.000 0.429 659 D N 5.038 125.605 120.400 0.278 0.000 2.740 659 D HA -0.226 4.430 4.640 0.028 0.000 0.231 659 D C 1.156 177.496 176.300 0.066 0.000 1.194 659 D CA 1.295 55.455 54.000 0.267 0.000 0.673 659 D CB -0.818 40.114 40.800 0.220 0.000 0.995 659 D HN 1.155 nan 8.370 nan 0.000 0.411 660 G N -0.148 108.639 108.800 -0.022 0.000 2.299 660 G HA2 -0.361 3.615 3.960 0.028 0.000 0.237 660 G HA3 -0.361 3.615 3.960 0.028 0.000 0.237 660 G C 0.342 175.159 174.900 -0.139 0.000 1.027 660 G CA 0.447 45.431 45.100 -0.193 0.000 0.619 660 G HN 0.462 nan 8.290 nan 0.000 0.513 661 K N 2.232 122.600 120.400 -0.054 0.000 2.316 661 K HA 0.454 4.790 4.320 0.028 0.000 0.289 661 K C -2.575 174.014 176.600 -0.018 0.000 1.070 661 K CA -1.677 54.584 56.287 -0.042 0.000 0.928 661 K CB 1.221 33.712 32.500 -0.015 0.000 1.039 661 K HN 0.118 nan 8.250 nan 0.000 0.480 662 P HA -0.031 nan 4.420 nan 0.000 0.263 662 P C -0.114 177.186 177.300 -0.000 0.000 1.195 662 P CA 0.308 63.393 63.100 -0.025 0.000 0.762 662 P CB 0.589 32.253 31.700 -0.059 0.000 0.799 663 L N 1.869 123.112 121.223 0.032 0.000 2.577 663 L HA 0.490 4.847 4.340 0.028 0.000 0.225 663 L C 0.812 177.712 176.870 0.051 0.000 1.053 663 L CA 0.275 55.142 54.840 0.046 0.000 0.866 663 L CB 0.227 42.330 42.059 0.073 0.000 1.132 663 L HN 0.381 nan 8.230 nan 0.000 0.486 664 A N -0.362 122.496 122.820 0.064 0.000 2.605 664 A HA 0.676 5.013 4.320 0.028 0.000 0.294 664 A C -0.935 176.564 177.584 -0.142 0.000 1.062 664 A CA -0.005 52.059 52.037 0.045 0.000 0.682 664 A CB 1.560 20.702 19.000 0.237 0.000 1.278 664 A HN 0.054 nan 8.150 nan 0.000 0.410 665 S N -0.539 114.828 115.700 -0.555 0.000 2.611 665 S HA 0.973 5.459 4.470 0.028 0.000 0.268 665 S C -0.223 173.471 174.600 -1.511 0.000 1.156 665 S CA -0.035 57.451 58.200 -1.190 0.000 0.817 665 S CB 1.080 63.932 63.200 -0.580 0.000 1.122 665 S HN 2.651 nan 8.310 nan 0.000 0.466 666 G N -0.163 107.545 108.800 -1.820 0.000 2.488 666 G HA2 0.644 4.620 3.960 0.028 0.000 0.301 666 G HA3 0.644 4.620 3.960 0.028 0.000 0.301 666 G C -2.323 172.152 174.900 -0.708 0.000 1.339 666 G CA -0.511 43.986 45.100 -1.005 0.000 0.803 666 G HN 1.171 nan 8.290 nan 0.000 0.482 667 E N -1.214 118.846 120.200 -0.234 0.000 2.304 667 E HA 0.607 4.974 4.350 0.028 0.000 0.277 667 E C -1.732 174.927 176.600 0.098 0.000 0.898 667 E CA -0.912 55.436 56.400 -0.087 0.000 0.764 667 E CB 2.485 31.975 29.700 -0.350 0.000 1.216 667 E HN 0.426 nan 8.360 nan 0.000 0.419 668 V N 2.495 122.521 119.914 0.187 0.000 2.735 668 V HA 0.451 4.587 4.120 0.028 0.000 0.310 668 V C -2.410 173.765 176.094 0.135 0.000 1.061 668 V CA -2.201 60.194 62.300 0.159 0.000 0.913 668 V CB 1.954 33.884 31.823 0.178 0.000 1.005 668 V HN 0.671 nan 8.190 nan 0.000 0.428 669 P HA 0.329 nan 4.420 nan 0.000 0.275 669 P C -0.874 176.478 177.300 0.086 0.000 1.227 669 P CA -0.154 63.000 63.100 0.090 0.000 0.781 669 P CB 0.549 32.293 31.700 0.073 0.000 0.906 670 L N 3.300 124.568 121.223 0.075 0.000 2.275 670 L HA 0.386 4.742 4.340 0.028 0.000 0.288 670 L C 0.316 177.240 176.870 0.091 0.000 1.046 670 L CA 0.064 54.942 54.840 0.063 0.000 0.805 670 L CB 0.900 42.951 42.059 -0.013 0.000 1.193 670 L HN 0.335 nan 8.230 nan 0.000 0.426 671 D N 3.447 123.914 120.400 0.111 0.000 2.468 671 D HA 0.241 4.897 4.640 0.028 0.000 0.272 671 D C -1.437 174.970 176.300 0.177 0.000 1.221 671 D CA -0.118 53.971 54.000 0.149 0.000 0.860 671 D CB 1.281 42.151 40.800 0.117 0.000 1.190 671 D HN 0.102 nan 8.370 nan 0.000 0.509 672 V N 1.837 121.867 119.914 0.194 0.000 2.495 672 V HA 0.863 4.999 4.120 0.028 0.000 0.298 672 V C -0.016 176.096 176.094 0.030 0.000 1.031 672 V CA -0.477 61.911 62.300 0.148 0.000 0.871 672 V CB 1.329 33.260 31.823 0.179 0.000 0.988 672 V HN 0.551 nan 8.190 nan 0.000 0.432 673 A N 9.046 131.778 122.820 -0.148 0.000 2.386 673 A HA 0.668 5.005 4.320 0.028 0.000 0.248 673 A C -2.370 175.024 177.584 -0.316 0.000 1.082 673 A CA -1.324 50.314 52.037 -0.664 0.000 0.789 673 A CB -0.036 18.748 19.000 -0.360 0.000 1.025 673 A HN 0.768 nan 8.150 nan 0.000 0.490 674 P HA -0.014 nan 4.420 nan 0.000 0.264 674 P C -0.530 176.703 177.300 -0.112 0.000 1.183 674 P CA 0.645 63.664 63.100 -0.135 0.000 0.763 674 P CB 0.686 32.306 31.700 -0.135 0.000 0.807 675 Q N -1.181 118.569 119.800 -0.084 0.000 2.374 675 Q HA -0.155 4.202 4.340 0.028 0.000 0.218 675 Q C 0.749 176.721 176.000 -0.046 0.000 0.691 675 Q CA 1.811 57.568 55.803 -0.077 0.000 1.340 675 Q CB -2.522 26.164 28.738 -0.087 0.000 1.498 675 Q HN 0.788 nan 8.270 nan 0.000 0.739 676 G N 0.181 108.961 108.800 -0.033 0.000 2.557 676 G HA2 0.604 4.581 3.960 0.028 0.000 0.302 676 G HA3 0.604 4.581 3.960 0.028 0.000 0.302 676 G C -0.313 174.603 174.900 0.027 0.000 1.311 676 G CA -0.580 44.517 45.100 -0.005 0.000 1.030 676 G HN -0.004 nan 8.290 nan 0.000 0.509 677 K N -0.630 119.793 120.400 0.038 0.000 2.435 677 K HA 0.497 4.834 4.320 0.028 0.000 0.251 677 K C -1.024 175.614 176.600 0.063 0.000 0.954 677 K CA -0.697 55.621 56.287 0.052 0.000 0.820 677 K CB 2.684 35.205 32.500 0.036 0.000 1.292 677 K HN 0.509 nan 8.250 nan 0.000 0.436 678 Q N 2.430 122.276 119.800 0.075 0.000 2.331 678 Q HA 0.397 4.754 4.340 0.028 0.000 0.272 678 Q C -1.629 174.411 176.000 0.065 0.000 1.062 678 Q CA -0.679 55.168 55.803 0.074 0.000 0.806 678 Q CB 1.574 30.366 28.738 0.090 0.000 1.312 678 Q HN 0.551 nan 8.270 nan 0.000 0.431 679 L N 5.000 126.250 121.223 0.045 0.000 2.289 679 L HA 0.560 4.916 4.340 0.028 0.000 0.285 679 L C -0.538 176.343 176.870 0.018 0.000 1.049 679 L CA -0.613 54.242 54.840 0.025 0.000 0.804 679 L CB 1.237 43.301 42.059 0.008 0.000 1.195 679 L HN 0.590 nan 8.230 nan 0.000 0.428 680 I N 3.031 123.601 120.570 -0.000 0.000 2.468 680 I HA 0.249 4.435 4.170 0.028 0.000 0.284 680 I C -0.318 175.746 176.117 -0.089 0.000 1.038 680 I CA -0.396 60.892 61.300 -0.020 0.000 1.083 680 I CB 2.145 40.152 38.000 0.011 0.000 1.223 680 I HN 0.603 nan 8.210 nan 0.000 0.443 681 E N 7.081 127.225 120.200 -0.094 0.000 2.174 681 E HA 0.454 4.820 4.350 0.028 0.000 0.282 681 E C -1.008 175.466 176.600 -0.209 0.000 0.992 681 E CA -0.628 55.688 56.400 -0.141 0.000 0.803 681 E CB 1.138 30.779 29.700 -0.098 0.000 1.090 681 E HN 0.520 nan 8.360 nan 0.000 0.396 682 L N 6.126 127.150 121.223 -0.330 0.000 2.397 682 L HA 0.301 4.658 4.340 0.028 0.000 0.271 682 L C -1.904 174.773 176.870 -0.321 0.000 1.148 682 L CA -1.933 52.593 54.840 -0.523 0.000 0.825 682 L CB 0.422 42.027 42.059 -0.756 0.000 1.117 682 L HN 0.506 nan 8.230 nan 0.000 0.456 683 P HA -0.030 nan 4.420 nan 0.000 0.271 683 P C -0.640 176.604 177.300 -0.093 0.000 1.233 683 P CA -0.416 62.633 63.100 -0.085 0.000 0.789 683 P CB 0.401 32.127 31.700 0.044 0.000 0.951 684 E N 1.424 121.598 120.200 -0.043 0.000 2.415 684 E HA 0.030 4.396 4.350 0.028 0.000 0.260 684 E C -0.701 175.895 176.600 -0.006 0.000 1.016 684 E CA -0.118 56.261 56.400 -0.035 0.000 0.924 684 E CB -0.166 29.523 29.700 -0.018 0.000 0.961 684 E HN 0.272 nan 8.360 nan 0.000 0.459 685 L N 7.356 128.570 121.223 -0.014 0.000 2.349 685 L HA 0.345 4.701 4.340 0.028 0.000 0.275 685 L C -1.575 175.316 176.870 0.034 0.000 1.115 685 L CA -1.990 52.870 54.840 0.032 0.000 0.820 685 L CB 0.465 42.539 42.059 0.025 0.000 1.135 685 L HN 0.565 nan 8.230 nan 0.000 0.445 686 P HA 0.037 nan 4.420 nan 0.000 0.271 686 P C -1.064 176.256 177.300 0.032 0.000 1.218 686 P CA -0.548 62.575 63.100 0.038 0.000 0.780 686 P CB 0.601 32.327 31.700 0.043 0.000 0.901 687 Q N 2.681 122.495 119.800 0.022 0.000 2.311 687 Q HA 0.164 4.521 4.340 0.028 0.000 0.272 687 Q C -1.663 174.352 176.000 0.025 0.000 1.012 687 Q CA -1.329 54.486 55.803 0.019 0.000 0.891 687 Q CB -0.542 28.203 28.738 0.013 0.000 1.201 687 Q HN 0.434 nan 8.270 nan 0.000 0.391 688 P HA -0.048 nan 4.420 nan 0.000 0.265 688 P C 0.284 177.600 177.300 0.027 0.000 1.187 688 P CA 0.005 63.125 63.100 0.033 0.000 0.766 688 P CB 0.950 32.671 31.700 0.036 0.000 0.820 689 E N 1.045 121.262 120.200 0.028 0.000 2.077 689 E HA -0.077 4.289 4.350 0.028 0.000 0.193 689 E C 1.212 177.826 176.600 0.023 0.000 0.989 689 E CA 1.409 57.823 56.400 0.023 0.000 0.800 689 E CB -0.218 29.494 29.700 0.021 0.000 0.746 689 E HN 0.688 nan 8.360 nan 0.000 0.452 690 S N -0.746 114.971 115.700 0.028 0.000 2.971 690 S HA 0.726 5.213 4.470 0.028 0.000 0.320 690 S C -0.114 174.506 174.600 0.033 0.000 1.111 690 S CA -0.491 57.727 58.200 0.029 0.000 0.870 690 S CB 1.341 64.560 63.200 0.031 0.000 1.331 690 S HN 0.156 nan 8.310 nan 0.000 0.635 691 A N -0.481 122.360 122.820 0.035 0.000 2.313 691 A HA 0.840 5.177 4.320 0.028 0.000 0.261 691 A C 0.825 178.439 177.584 0.050 0.000 1.090 691 A CA 0.184 52.244 52.037 0.037 0.000 0.807 691 A CB -0.466 18.556 19.000 0.037 0.000 1.055 691 A HN 2.371 nan 8.150 nan 0.000 0.492 692 G N -0.804 108.026 108.800 0.050 0.000 2.347 692 G HA2 0.425 4.401 3.960 0.028 0.000 0.341 692 G HA3 0.425 4.401 3.960 0.028 0.000 0.341 692 G C -1.129 173.804 174.900 0.056 0.000 1.287 692 G CA -0.156 44.986 45.100 0.071 0.000 0.984 692 G HN 1.169 nan 8.290 nan 0.000 0.526 693 Q N -0.204 119.648 119.800 0.087 0.000 2.307 693 Q HA 0.731 5.087 4.340 0.028 0.000 0.262 693 Q C -0.281 175.768 176.000 0.082 0.000 0.961 693 Q CA -0.566 55.243 55.803 0.010 0.000 0.882 693 Q CB 1.239 29.944 28.738 -0.056 0.000 1.264 693 Q HN 0.591 nan 8.270 nan 0.000 0.446 694 L N 4.106 125.318 121.223 -0.018 0.000 2.349 694 L HA 0.456 4.813 4.340 0.028 0.000 0.275 694 L C -0.771 176.089 176.870 -0.017 0.000 1.115 694 L CA -0.367 54.514 54.840 0.069 0.000 0.820 694 L CB 0.700 42.781 42.059 0.036 0.000 1.135 694 L HN 0.674 nan 8.230 nan 0.000 0.445 695 W N 4.153 125.507 121.300 0.090 0.000 2.739 695 W HA 0.482 5.158 4.660 0.027 0.000 0.331 695 W C -0.794 175.827 176.519 0.170 0.000 1.049 695 W CA -0.529 56.892 57.345 0.126 0.000 1.234 695 W CB 1.617 31.168 29.460 0.151 0.000 1.404 695 W HN 0.108 nan 8.180 nan 0.000 0.477 696 L N 3.634 125.117 121.223 0.434 0.000 2.282 696 L HA 0.749 5.106 4.340 0.028 0.000 0.288 696 L C -0.316 176.849 176.870 0.492 0.000 1.033 696 L CA 0.182 55.275 54.840 0.422 0.000 0.807 696 L CB 1.171 43.450 42.059 0.366 0.000 1.209 696 L HN 0.326 nan 8.230 nan 0.000 0.423 697 T N 5.352 120.147 114.554 0.403 0.000 2.840 697 T HA 0.617 4.983 4.350 0.028 0.000 0.287 697 T C -0.774 174.109 174.700 0.305 0.000 0.991 697 T CA -0.435 61.856 62.100 0.318 0.000 0.964 697 T CB 1.360 70.358 68.868 0.216 0.000 0.954 697 T HN 0.605 nan 8.240 nan 0.000 0.438 698 V N 2.024 122.092 119.914 0.257 0.000 2.769 698 V HA 0.930 5.067 4.120 0.028 0.000 0.312 698 V C -0.729 175.431 176.094 0.109 0.000 1.061 698 V CA -1.281 61.132 62.300 0.188 0.000 0.931 698 V CB 1.882 33.772 31.823 0.112 0.000 1.010 698 V HN 0.980 nan 8.190 nan 0.000 0.433 699 R N 2.405 122.986 120.500 0.135 0.000 2.604 699 R HA 0.818 5.175 4.340 0.028 0.000 0.281 699 R C -1.941 174.429 176.300 0.117 0.000 1.020 699 R CA -0.812 55.386 56.100 0.163 0.000 0.899 699 R CB 2.059 32.429 30.300 0.118 0.000 1.205 699 R HN 0.523 nan 8.270 nan 0.000 0.450 700 V N 3.078 123.100 119.914 0.179 0.000 2.383 700 V HA 0.310 4.447 4.120 0.028 0.000 0.275 700 V C -0.075 176.052 176.094 0.055 0.000 1.036 700 V CA -0.571 61.802 62.300 0.122 0.000 0.889 700 V CB 1.425 33.359 31.823 0.185 0.000 0.985 700 V HN 0.538 nan 8.190 nan 0.000 0.459 701 V N 5.224 125.106 119.914 -0.054 0.000 2.628 701 V HA 0.407 4.543 4.120 0.028 0.000 0.306 701 V C -0.200 175.899 176.094 0.007 0.000 1.045 701 V CA -0.775 61.465 62.300 -0.099 0.000 0.905 701 V CB 1.961 33.564 31.823 -0.366 0.000 0.997 701 V HN 0.887 nan 8.190 nan 0.000 0.436 702 Q N 4.790 124.623 119.800 0.056 0.000 2.430 702 Q HA 0.258 4.615 4.340 0.028 0.000 0.245 702 Q C -1.924 174.100 176.000 0.039 0.000 1.021 702 Q CA -1.736 54.115 55.803 0.080 0.000 0.867 702 Q CB 1.729 30.540 28.738 0.122 0.000 1.210 702 Q HN 0.470 nan 8.270 nan 0.000 0.487 703 P HA -0.193 nan 4.420 nan 0.000 0.215 703 P C -0.192 177.115 177.300 0.011 0.000 1.157 703 P CA 1.305 64.425 63.100 0.033 0.000 0.868 703 P CB 0.339 32.066 31.700 0.046 0.000 0.788 704 N N -0.531 118.168 118.700 -0.001 0.000 2.509 704 N HA 0.362 5.119 4.740 0.028 0.000 0.287 704 N C -0.070 175.396 175.510 -0.073 0.000 1.121 704 N CA -0.393 52.641 53.050 -0.027 0.000 0.977 704 N CB 0.754 39.228 38.487 -0.021 0.000 1.167 704 N HN -0.043 nan 8.380 nan 0.000 0.476 705 A N 0.633 123.401 122.820 -0.087 0.000 2.366 705 A HA 0.508 4.845 4.320 0.028 0.000 0.249 705 A C 0.777 178.244 177.584 -0.195 0.000 1.084 705 A CA -0.033 51.917 52.037 -0.146 0.000 0.794 705 A CB 0.065 19.003 19.000 -0.102 0.000 1.034 705 A HN 0.764 nan 8.150 nan 0.000 0.491 706 T N -3.367 110.994 114.554 -0.322 0.000 2.669 706 T HA 0.624 4.990 4.350 0.028 0.000 0.283 706 T C 0.942 175.491 174.700 -0.251 0.000 1.019 706 T CA 0.104 61.999 62.100 -0.341 0.000 1.039 706 T CB 1.003 69.464 68.868 -0.678 0.000 1.374 706 T HN 1.378 nan 8.240 nan 0.000 0.523 707 A N -0.059 122.702 122.820 -0.098 0.000 2.015 707 A HA 0.117 4.454 4.320 0.028 0.000 0.219 707 A C 1.686 179.423 177.584 0.256 0.000 1.163 707 A CA 1.156 53.253 52.037 0.100 0.000 0.646 707 A CB -0.853 18.240 19.000 0.156 0.000 0.806 707 A HN 0.915 nan 8.150 nan 0.000 0.448 708 W N -0.526 120.844 121.300 0.116 0.000 2.870 708 W HA 0.437 5.114 4.660 0.029 0.000 0.358 708 W C -0.174 176.310 176.519 -0.058 0.000 1.043 708 W CA 0.476 57.849 57.345 0.046 0.000 1.692 708 W CB -1.083 28.391 29.460 0.024 0.000 1.100 708 W HN 0.433 nan 8.180 nan 0.000 0.557 709 S N -0.214 115.088 115.700 -0.664 0.000 2.588 709 S HA 0.447 4.933 4.470 0.028 0.000 0.269 709 S C -0.985 173.381 174.600 -0.391 0.000 1.157 709 S CA -0.789 57.034 58.200 -0.627 0.000 0.824 709 S CB 2.693 65.170 63.200 -1.204 0.000 1.126 709 S HN 0.120 nan 8.310 nan 0.000 0.464 710 E N 0.393 120.459 120.200 -0.223 0.000 2.280 710 E HA 0.615 4.981 4.350 0.028 0.000 0.264 710 E C 0.108 176.662 176.600 -0.077 0.000 1.064 710 E CA -1.003 55.330 56.400 -0.112 0.000 0.900 710 E CB 1.362 31.038 29.700 -0.040 0.000 1.123 710 E HN 0.877 nan 8.360 nan 0.000 0.418 711 A N 0.349 123.141 122.820 -0.047 0.000 2.511 711 A HA 0.401 4.738 4.320 0.028 0.000 0.242 711 A C 1.062 178.653 177.584 0.012 0.000 1.069 711 A CA 0.786 52.810 52.037 -0.021 0.000 0.763 711 A CB -0.468 18.523 19.000 -0.015 0.000 1.001 711 A HN 0.798 nan 8.150 nan 0.000 0.498 712 G N 0.687 109.502 108.800 0.024 0.000 2.157 712 G HA2 -0.233 3.744 3.960 0.028 0.000 0.248 712 G HA3 -0.233 3.744 3.960 0.028 0.000 0.248 712 G C 0.183 175.112 174.900 0.048 0.000 0.979 712 G CA 0.608 45.722 45.100 0.023 0.000 0.650 712 G HN 1.721 nan 8.290 nan 0.000 0.529 713 H N 0.683 119.743 119.070 -0.017 0.000 2.964 713 H HA 0.481 5.053 4.556 0.027 0.000 0.328 713 H C 0.775 176.151 175.328 0.080 0.000 1.030 713 H CA 0.072 56.135 56.048 0.026 0.000 1.445 713 H CB 0.189 29.947 29.762 -0.006 0.000 1.449 713 H HN 0.293 nan 8.280 nan 0.000 0.581 714 I N 4.888 125.211 120.570 -0.411 0.000 2.325 714 I HA 0.039 4.226 4.170 0.028 0.000 0.291 714 I C 0.905 176.852 176.117 -0.284 0.000 1.019 714 I CA 0.013 61.181 61.300 -0.219 0.000 1.302 714 I CB 1.448 39.401 38.000 -0.079 0.000 1.401 714 I HN 0.773 nan 8.210 nan 0.000 0.485 715 S N 4.193 119.927 115.700 0.056 0.000 2.502 715 S HA 0.527 5.014 4.470 0.028 0.000 0.215 715 S C 0.484 175.312 174.600 0.379 0.000 1.009 715 S CA -0.033 58.338 58.200 0.286 0.000 0.908 715 S CB 0.614 64.102 63.200 0.480 0.000 0.801 715 S HN 0.712 nan 8.310 nan 0.000 0.505 716 A N 0.461 123.541 122.820 0.433 0.000 2.605 716 A HA 0.667 5.004 4.320 0.028 0.000 0.294 716 A C -1.794 176.102 177.584 0.520 0.000 1.062 716 A CA -0.842 51.417 52.037 0.370 0.000 0.682 716 A CB 0.468 19.764 19.000 0.494 0.000 1.278 716 A HN 0.940 nan 8.150 nan 0.000 0.410 717 W N -0.067 121.424 121.300 0.318 0.000 3.005 717 W HA 0.802 5.480 4.660 0.029 0.000 0.343 717 W C -1.267 175.334 176.519 0.136 0.000 1.243 717 W CA -0.566 56.856 57.345 0.128 0.000 1.186 717 W CB 1.082 30.579 29.460 0.063 0.000 1.453 717 W HN 1.053 nan 8.180 nan 0.000 0.575 718 Q N 0.991 120.853 119.800 0.103 0.000 2.594 718 Q HA 0.419 4.775 4.340 0.028 0.000 0.278 718 Q C -1.671 174.143 176.000 -0.310 0.000 0.961 718 Q CA -0.446 55.254 55.803 -0.172 0.000 0.844 718 Q CB 2.344 30.815 28.738 -0.444 0.000 1.475 718 Q HN 0.615 nan 8.270 nan 0.000 0.389 719 Q N 1.332 120.901 119.800 -0.384 0.000 2.413 719 Q HA 0.656 5.013 4.340 0.028 0.000 0.276 719 Q C -1.256 174.569 176.000 -0.292 0.000 1.099 719 Q CA -0.708 55.036 55.803 -0.097 0.000 0.814 719 Q CB 2.228 31.122 28.738 0.261 0.000 1.379 719 Q HN 0.596 nan 8.270 nan 0.000 0.436 720 W N 1.145 122.588 121.300 0.238 0.000 3.256 720 W HA 0.410 5.086 4.660 0.027 0.000 0.324 720 W C -0.525 175.927 176.519 -0.111 0.000 1.196 720 W CA -0.629 56.759 57.345 0.071 0.000 1.206 720 W CB 1.644 31.126 29.460 0.036 0.000 1.385 720 W HN 0.442 nan 8.180 nan 0.000 0.522 721 R N 2.164 122.570 120.500 -0.157 0.000 2.340 721 R HA 0.466 4.822 4.340 0.028 0.000 0.300 721 R C 0.483 176.641 176.300 -0.236 0.000 1.069 721 R CA -0.144 55.608 56.100 -0.580 0.000 0.984 721 R CB 1.206 31.095 30.300 -0.686 0.000 1.003 721 R HN 0.317 nan 8.270 nan 0.000 0.459 722 L N 1.378 122.468 121.223 -0.222 0.000 2.793 722 L HA 0.513 4.870 4.340 0.028 0.000 0.188 722 L C 0.639 177.429 176.870 -0.133 0.000 1.949 722 L CA -0.996 53.774 54.840 -0.116 0.000 2.556 722 L CB -0.061 41.965 42.059 -0.054 0.000 2.898 722 L HN 0.598 nan 8.230 nan 0.000 0.621 723 A N 0.445 123.213 122.820 -0.087 0.000 2.483 723 A HA 0.186 4.522 4.320 0.028 0.000 0.238 723 A C -0.266 177.269 177.584 -0.083 0.000 1.070 723 A CA 0.302 52.295 52.037 -0.073 0.000 0.770 723 A CB 0.061 19.035 19.000 -0.043 0.000 1.008 723 A HN 0.620 nan 8.150 nan 0.000 0.497 724 E N 0.776 120.934 120.200 -0.071 0.000 2.293 724 E HA 0.448 4.815 4.350 0.028 0.000 0.270 724 E C -1.477 175.107 176.600 -0.027 0.000 0.879 724 E CA -0.630 55.734 56.400 -0.060 0.000 0.756 724 E CB 1.123 30.774 29.700 -0.083 0.000 1.208 724 E HN 0.702 nan 8.360 nan 0.000 0.428 725 N N 4.089 122.784 118.700 -0.008 0.000 2.573 725 N HA 0.281 5.037 4.740 0.028 0.000 0.262 725 N C -0.972 174.545 175.510 0.012 0.000 1.029 725 N CA -0.451 52.601 53.050 0.003 0.000 0.882 725 N CB 1.247 39.740 38.487 0.010 0.000 1.204 725 N HN 0.326 nan 8.380 nan 0.000 0.519 726 L N 1.017 122.246 121.223 0.010 0.000 2.490 726 L HA 0.104 4.460 4.340 0.028 0.000 0.274 726 L C 0.951 177.836 176.870 0.024 0.000 1.201 726 L CA 0.022 54.873 54.840 0.019 0.000 0.869 726 L CB 0.574 42.643 42.059 0.016 0.000 1.123 726 L HN 0.474 nan 8.230 nan 0.000 0.484 727 S N 2.255 117.974 115.700 0.032 0.000 2.465 727 S HA 0.192 4.678 4.470 0.028 0.000 0.280 727 S C 0.746 175.364 174.600 0.030 0.000 1.232 727 S CA -0.815 57.405 58.200 0.033 0.000 1.066 727 S CB 0.659 63.884 63.200 0.042 0.000 0.929 727 S HN 0.467 nan 8.310 nan 0.000 0.494 728 V N 2.478 122.407 119.914 0.025 0.000 3.528 728 V HA 0.300 4.437 4.120 0.028 0.000 0.294 728 V C 0.793 176.900 176.094 0.022 0.000 1.404 728 V CA 0.216 62.529 62.300 0.022 0.000 1.065 728 V CB -0.743 31.090 31.823 0.017 0.000 0.904 728 V HN 0.871 nan 8.190 nan 0.000 0.435 729 T N 1.252 115.821 114.554 0.024 0.000 2.723 729 T HA 0.626 4.993 4.350 0.028 0.000 0.297 729 T C -0.232 174.484 174.700 0.027 0.000 0.925 729 T CA -0.303 61.811 62.100 0.023 0.000 1.030 729 T CB 0.593 69.476 68.868 0.024 0.000 0.905 729 T HN 0.311 nan 8.240 nan 0.000 0.502 730 L N 5.837 127.074 121.223 0.024 0.000 2.349 730 L HA 0.367 4.724 4.340 0.028 0.000 0.275 730 L C -0.951 175.935 176.870 0.026 0.000 1.115 730 L CA -1.919 52.936 54.840 0.026 0.000 0.820 730 L CB 0.126 42.198 42.059 0.021 0.000 1.135 730 L HN 0.580 nan 8.230 nan 0.000 0.445 731 P HA 0.072 nan 4.420 nan 0.000 0.270 731 P C -0.573 176.742 177.300 0.025 0.000 1.221 731 P CA -0.489 62.630 63.100 0.033 0.000 0.788 731 P CB 0.598 32.323 31.700 0.042 0.000 0.904 732 A N 1.094 123.930 122.820 0.026 0.000 2.386 732 A HA 0.496 4.832 4.320 0.028 0.000 0.248 732 A C 0.597 178.183 177.584 0.003 0.000 1.082 732 A CA -0.072 51.972 52.037 0.011 0.000 0.789 732 A CB -0.344 18.664 19.000 0.013 0.000 1.025 732 A HN 0.745 nan 8.150 nan 0.000 0.490 733 A N 1.760 124.565 122.820 -0.026 0.000 2.462 733 A HA 0.492 4.828 4.320 0.028 0.000 0.243 733 A C 1.012 178.564 177.584 -0.053 0.000 1.076 733 A CA 0.324 52.341 52.037 -0.034 0.000 0.773 733 A CB -0.456 18.513 19.000 -0.051 0.000 1.010 733 A HN 1.853 nan 8.150 nan 0.000 0.493 734 S N 1.489 117.190 115.700 0.002 0.000 2.600 734 S HA 0.238 4.725 4.470 0.028 0.000 0.265 734 S C 0.614 175.227 174.600 0.021 0.000 1.325 734 S CA 0.258 58.502 58.200 0.074 0.000 1.002 734 S CB 0.213 63.474 63.200 0.100 0.000 0.921 734 S HN 0.715 nan 8.310 nan 0.000 0.554 735 H N 0.831 119.919 119.070 0.031 0.000 2.370 735 H HA 0.470 5.043 4.556 0.028 0.000 0.304 735 H C 1.066 176.413 175.328 0.031 0.000 1.055 735 H CA 1.191 57.255 56.048 0.028 0.000 1.373 735 H CB -0.515 29.263 29.762 0.027 0.000 1.423 735 H HN 0.843 nan 8.280 nan 0.000 0.533 736 A N 0.824 123.755 122.820 0.184 0.000 2.294 736 A HA 0.592 4.928 4.320 0.028 0.000 0.330 736 A C -0.456 177.186 177.584 0.098 0.000 1.133 736 A CA -0.544 51.564 52.037 0.119 0.000 0.836 736 A CB 0.591 19.655 19.000 0.107 0.000 1.190 736 A HN 0.222 nan 8.150 nan 0.000 0.492 737 I N 1.363 121.986 120.570 0.087 0.000 2.441 737 I HA 0.329 4.516 4.170 0.028 0.000 0.295 737 I C -2.270 173.906 176.117 0.099 0.000 0.994 737 I CA -2.125 59.221 61.300 0.075 0.000 1.144 737 I CB 2.080 40.115 38.000 0.060 0.000 1.314 737 I HN 0.416 nan 8.210 nan 0.000 0.445 738 P HA 0.040 nan 4.420 nan 0.000 0.269 738 P C -0.974 176.404 177.300 0.130 0.000 1.209 738 P CA 0.097 63.267 63.100 0.116 0.000 0.776 738 P CB 0.338 32.064 31.700 0.043 0.000 0.876 739 H N 3.030 122.151 119.070 0.085 0.000 2.481 739 H HA 0.384 4.956 4.556 0.028 0.000 0.333 739 H C -1.218 174.160 175.328 0.082 0.000 1.066 739 H CA -0.878 55.211 56.048 0.068 0.000 1.209 739 H CB 1.078 30.879 29.762 0.065 0.000 1.445 739 H HN 0.235 nan 8.280 nan 0.000 0.488 740 L N 4.495 125.402 121.223 -0.528 0.000 2.312 740 L HA 0.309 4.665 4.340 0.028 0.000 0.281 740 L C -0.487 176.189 176.870 -0.323 0.000 1.070 740 L CA 0.020 54.687 54.840 -0.290 0.000 0.805 740 L CB 1.512 43.439 42.059 -0.219 0.000 1.174 740 L HN 0.610 nan 8.230 nan 0.000 0.434 741 T N 3.204 117.768 114.554 0.016 0.000 3.064 741 T HA 0.261 4.627 4.350 0.028 0.000 0.367 741 T C -0.305 174.491 174.700 0.159 0.000 1.202 741 T CA -0.352 61.818 62.100 0.117 0.000 1.133 741 T CB 0.312 69.294 68.868 0.191 0.000 1.074 741 T HN 0.666 nan 8.240 nan 0.000 0.519 742 T N 3.819 118.466 114.554 0.155 0.000 2.779 742 T HA 0.444 4.811 4.350 0.028 0.000 0.296 742 T C 0.672 175.416 174.700 0.074 0.000 0.938 742 T CA -0.378 61.843 62.100 0.202 0.000 1.119 742 T CB 0.350 69.358 68.868 0.234 0.000 0.891 742 T HN 0.662 nan 8.240 nan 0.000 0.526 743 S N 2.551 118.247 115.700 -0.007 0.000 2.751 743 S HA 0.491 4.977 4.470 0.028 0.000 0.310 743 S C 0.929 175.463 174.600 -0.110 0.000 1.128 743 S CA -0.954 57.225 58.200 -0.035 0.000 0.931 743 S CB 1.475 64.667 63.200 -0.013 0.000 1.177 743 S HN 0.437 nan 8.310 nan 0.000 0.530 744 E N 0.389 120.543 120.200 -0.078 0.000 2.077 744 E HA -0.020 4.347 4.350 0.028 0.000 0.193 744 E C 1.430 177.952 176.600 -0.131 0.000 0.989 744 E CA 1.471 57.816 56.400 -0.093 0.000 0.800 744 E CB -0.258 29.411 29.700 -0.051 0.000 0.746 744 E HN 0.674 nan 8.360 nan 0.000 0.452 745 M N 0.002 119.540 119.600 -0.104 0.000 2.333 745 M HA 0.074 4.570 4.480 0.028 0.000 0.257 745 M C -0.462 175.770 176.300 -0.113 0.000 1.078 745 M CA 0.255 55.497 55.300 -0.096 0.000 1.005 745 M CB 0.793 33.372 32.600 -0.035 0.000 1.444 745 M HN -0.215 nan 8.290 nan 0.000 0.496 746 D N -0.879 119.431 120.400 -0.149 0.000 2.602 746 D HA 0.344 5.001 4.640 0.028 0.000 0.236 746 D C -1.517 174.710 176.300 -0.121 0.000 1.209 746 D CA -0.337 53.610 54.000 -0.087 0.000 0.831 746 D CB 2.187 43.024 40.800 0.062 0.000 1.478 746 D HN -0.182 nan 8.370 nan 0.000 0.438 747 F N 1.150 121.180 119.950 0.133 0.000 2.366 747 F HA 0.296 4.840 4.527 0.028 0.000 0.366 747 F C -0.083 175.841 175.800 0.208 0.000 1.096 747 F CA -0.891 57.171 58.000 0.103 0.000 1.060 747 F CB 0.976 39.986 39.000 0.017 0.000 1.282 747 F HN 0.130 nan 8.300 nan 0.000 0.450 748 C N 5.107 124.621 119.300 0.357 0.000 2.303 748 C HA 0.669 5.145 4.460 0.028 0.000 0.326 748 C C 0.077 175.254 174.990 0.311 0.000 1.285 748 C CA -0.762 58.460 59.018 0.339 0.000 1.675 748 C CB 0.006 27.894 27.740 0.247 0.000 2.289 748 C HN 0.453 nan 8.230 nan 0.000 0.512 749 I N 3.959 124.771 120.570 0.404 0.000 2.336 749 I HA 0.355 4.542 4.170 0.028 0.000 0.292 749 I C 0.214 176.620 176.117 0.481 0.000 0.991 749 I CA 0.233 61.762 61.300 0.382 0.000 1.227 749 I CB 0.840 39.059 38.000 0.366 0.000 1.366 749 I HN 0.536 nan 8.210 nan 0.000 0.466 750 E N 6.185 126.609 120.200 0.373 0.000 2.187 750 E HA 0.580 4.947 4.350 0.028 0.000 0.268 750 E C -1.307 175.483 176.600 0.316 0.000 0.896 750 E CA -0.846 55.743 56.400 0.316 0.000 0.766 750 E CB 2.886 32.724 29.700 0.231 0.000 1.142 750 E HN 0.310 nan 8.360 nan 0.000 0.408 751 L N 2.299 123.701 121.223 0.298 0.000 2.549 751 L HA 0.368 4.724 4.340 0.028 0.000 0.260 751 L C 0.236 177.197 176.870 0.152 0.000 1.109 751 L CA 0.611 55.605 54.840 0.258 0.000 0.900 751 L CB 0.800 43.093 42.059 0.389 0.000 1.119 751 L HN 0.782 nan 8.230 nan 0.000 0.471 752 G N 3.836 112.690 108.800 0.089 0.000 2.557 752 G HA2 -0.396 3.580 3.960 0.028 0.000 0.292 752 G HA3 -0.396 3.580 3.960 0.028 0.000 0.292 752 G C 0.616 175.520 174.900 0.007 0.000 1.162 752 G CA 0.470 45.594 45.100 0.040 0.000 0.964 752 G HN 1.035 nan 8.290 nan 0.000 0.541 753 N N 1.548 120.241 118.700 -0.013 0.000 2.336 753 N HA 0.097 4.854 4.740 0.028 0.000 0.189 753 N C 0.452 175.917 175.510 -0.075 0.000 1.113 753 N CA 0.736 53.762 53.050 -0.041 0.000 0.858 753 N CB 0.283 38.747 38.487 -0.039 0.000 0.970 753 N HN 0.724 nan 8.380 nan 0.000 0.471 754 K N 0.658 120.994 120.400 -0.106 0.000 2.123 754 K HA 0.399 4.736 4.320 0.028 0.000 0.259 754 K C -0.487 175.907 176.600 -0.344 0.000 0.960 754 K CA -0.638 55.467 56.287 -0.303 0.000 0.872 754 K CB 2.192 34.431 32.500 -0.435 0.000 1.079 754 K HN 0.020 nan 8.250 nan 0.000 0.440 755 R N 2.368 122.585 120.500 -0.472 0.000 2.548 755 R HA 0.283 4.640 4.340 0.028 0.000 0.280 755 R C -1.680 174.477 176.300 -0.237 0.000 1.061 755 R CA -0.595 55.412 56.100 -0.156 0.000 0.915 755 R CB 1.280 31.636 30.300 0.094 0.000 1.210 755 R HN 0.632 nan 8.270 nan 0.000 0.442 756 W N 4.165 125.562 121.300 0.162 0.000 2.471 756 W HA 0.292 4.969 4.660 0.028 0.000 0.318 756 W C -0.522 176.068 176.519 0.118 0.000 1.034 756 W CA -0.651 56.717 57.345 0.039 0.000 1.224 756 W CB 1.951 31.448 29.460 0.063 0.000 1.335 756 W HN 0.496 nan 8.180 nan 0.000 0.452 757 Q N 3.376 123.264 119.800 0.147 0.000 2.368 757 Q HA 0.359 4.716 4.340 0.028 0.000 0.263 757 Q C -1.671 174.318 176.000 -0.018 0.000 1.009 757 Q CA -0.437 55.485 55.803 0.199 0.000 0.818 757 Q CB 0.785 29.701 28.738 0.298 0.000 1.239 757 Q HN 0.296 nan 8.270 nan 0.000 0.464 758 F N 2.926 122.962 119.950 0.142 0.000 2.404 758 F HA 0.293 4.836 4.527 0.028 0.000 0.354 758 F C 0.671 176.525 175.800 0.091 0.000 1.122 758 F CA -0.865 57.192 58.000 0.094 0.000 1.080 758 F CB 1.076 40.129 39.000 0.089 0.000 1.131 758 F HN 0.498 nan 8.300 nan 0.000 0.471 759 N N 3.662 122.487 118.700 0.208 0.000 2.442 759 N HA 0.087 4.843 4.740 0.028 0.000 0.265 759 N C 0.835 176.398 175.510 0.088 0.000 1.138 759 N CA -0.047 53.078 53.050 0.125 0.000 0.956 759 N CB 0.753 39.313 38.487 0.123 0.000 1.067 759 N HN 0.688 nan 8.380 nan 0.000 0.474 760 R N 2.064 122.548 120.500 -0.027 0.000 2.276 760 R HA -0.052 4.304 4.340 0.028 0.000 0.203 760 R C 1.586 177.852 176.300 -0.057 0.000 1.017 760 R CA 0.546 56.584 56.100 -0.102 0.000 1.010 760 R CB 0.230 30.341 30.300 -0.315 0.000 0.900 760 R HN 0.685 nan 8.270 nan 0.000 0.469 761 Q N 0.472 120.261 119.800 -0.017 0.000 2.165 761 Q HA -0.063 4.294 4.340 0.028 0.000 0.197 761 Q C 1.854 177.865 176.000 0.019 0.000 0.952 761 Q CA 1.547 57.347 55.803 -0.005 0.000 0.848 761 Q CB 0.302 29.048 28.738 0.014 0.000 0.931 761 Q HN 0.314 nan 8.270 nan 0.000 0.470 762 S N -1.557 114.186 115.700 0.072 0.000 2.439 762 S HA 0.152 4.638 4.470 0.028 0.000 0.224 762 S C 1.376 175.958 174.600 -0.030 0.000 1.029 762 S CA 0.799 59.079 58.200 0.133 0.000 0.946 762 S CB 0.312 63.714 63.200 0.336 0.000 0.797 762 S HN 0.593 nan 8.310 nan 0.000 0.504 763 G N 0.603 109.397 108.800 -0.010 0.000 2.147 763 G HA2 -0.200 3.776 3.960 0.028 0.000 0.244 763 G HA3 -0.200 3.776 3.960 0.028 0.000 0.244 763 G C -0.244 174.618 174.900 -0.065 0.000 1.005 763 G CA 0.282 45.355 45.100 -0.046 0.000 0.713 763 G HN 0.469 nan 8.290 nan 0.000 0.515 764 F N -1.329 118.784 119.950 0.271 0.000 2.561 764 F HA 0.678 5.222 4.527 0.028 0.000 0.321 764 F C 0.341 176.167 175.800 0.042 0.000 1.065 764 F CA -1.744 56.366 58.000 0.184 0.000 0.934 764 F CB 1.533 40.602 39.000 0.114 0.000 1.215 764 F HN 0.024 nan 8.300 nan 0.000 0.471 765 L N 2.259 123.527 121.223 0.074 0.000 2.515 765 L HA 0.224 4.581 4.340 0.028 0.000 0.281 765 L C 0.989 177.752 176.870 -0.178 0.000 1.131 765 L CA 0.434 55.005 54.840 -0.447 0.000 0.905 765 L CB 0.046 41.712 42.059 -0.654 0.000 1.246 765 L HN 0.687 nan 8.230 nan 0.000 0.463 766 S N 2.519 118.135 115.700 -0.141 0.000 2.501 766 S HA 0.199 4.686 4.470 0.028 0.000 0.220 766 S C 0.627 175.096 174.600 -0.219 0.000 0.997 766 S CA 0.045 58.187 58.200 -0.097 0.000 0.919 766 S CB 0.006 63.201 63.200 -0.009 0.000 0.778 766 S HN 0.691 nan 8.310 nan 0.000 0.523 767 Q N -0.368 119.226 119.800 -0.343 0.000 2.527 767 Q HA 0.644 5.001 4.340 0.028 0.000 0.280 767 Q C -2.041 173.543 176.000 -0.693 0.000 0.977 767 Q CA -0.280 55.169 55.803 -0.590 0.000 0.837 767 Q CB 1.614 29.853 28.738 -0.831 0.000 1.454 767 Q HN 0.386 nan 8.270 nan 0.000 0.387 768 M N 1.887 120.989 119.600 -0.831 0.000 2.386 768 M HA 0.547 5.043 4.480 0.028 0.000 0.293 768 M C -1.609 174.271 176.300 -0.700 0.000 1.120 768 M CA -0.406 54.476 55.300 -0.697 0.000 0.909 768 M CB 1.910 34.129 32.600 -0.634 0.000 1.661 768 M HN 0.511 nan 8.290 nan 0.000 0.452 769 W N 4.579 125.664 121.300 -0.359 0.000 2.656 769 W HA 0.559 5.236 4.660 0.028 0.000 0.327 769 W C -1.133 175.203 176.519 -0.306 0.000 1.041 769 W CA -0.601 56.588 57.345 -0.261 0.000 1.229 769 W CB 1.541 30.884 29.460 -0.195 0.000 1.397 769 W HN 0.501 nan 8.180 nan 0.000 0.479 770 I N 3.932 124.501 120.570 -0.002 0.000 2.460 770 I HA 0.358 4.545 4.170 0.028 0.000 0.277 770 I C 0.830 176.940 176.117 -0.011 0.000 1.057 770 I CA 0.181 61.441 61.300 -0.067 0.000 1.179 770 I CB 0.660 38.609 38.000 -0.085 0.000 1.329 770 I HN 0.713 nan 8.210 nan 0.000 0.478 771 G N 5.893 114.684 108.800 -0.014 0.000 2.527 771 G HA2 -0.337 3.639 3.960 0.028 0.000 0.262 771 G HA3 -0.337 3.639 3.960 0.028 0.000 0.262 771 G C 0.238 175.143 174.900 0.008 0.000 1.153 771 G CA 0.557 45.647 45.100 -0.017 0.000 0.954 771 G HN 0.761 nan 8.290 nan 0.000 0.552 772 D N 0.221 120.633 120.400 0.020 0.000 2.363 772 D HA 0.317 4.974 4.640 0.028 0.000 0.214 772 D C 0.735 177.130 176.300 0.157 0.000 1.093 772 D CA 0.142 54.167 54.000 0.041 0.000 0.837 772 D CB 0.438 41.234 40.800 -0.005 0.000 0.948 772 D HN 0.326 nan 8.370 nan 0.000 0.507 773 K N 1.953 122.444 120.400 0.151 0.000 2.234 773 K HA 0.157 4.493 4.320 0.028 0.000 0.277 773 K C -0.005 176.649 176.600 0.091 0.000 1.038 773 K CA -0.495 55.857 56.287 0.109 0.000 0.888 773 K CB 1.172 33.685 32.500 0.022 0.000 1.091 773 K HN 0.317 nan 8.250 nan 0.000 0.467 774 K N 2.975 123.382 120.400 0.012 0.000 2.401 774 K HA 0.057 4.394 4.320 0.028 0.000 0.278 774 K C 0.449 176.908 176.600 -0.235 0.000 1.018 774 K CA -0.103 56.000 56.287 -0.306 0.000 0.981 774 K CB 0.902 33.271 32.500 -0.220 0.000 0.933 774 K HN 0.300 nan 8.250 nan 0.000 0.477 775 Q N 1.860 121.466 119.800 -0.324 0.000 2.391 775 Q HA 0.221 4.577 4.340 0.028 0.000 0.211 775 Q C 0.268 176.202 176.000 -0.111 0.000 0.908 775 Q CA 0.602 56.328 55.803 -0.129 0.000 0.920 775 Q CB 0.259 28.941 28.738 -0.094 0.000 1.056 775 Q HN 0.635 nan 8.270 nan 0.000 0.523 776 L N 0.325 121.407 121.223 -0.235 0.000 2.342 776 L HA 0.385 4.742 4.340 0.028 0.000 0.271 776 L C 0.951 177.697 176.870 -0.207 0.000 1.008 776 L CA -0.401 54.321 54.840 -0.198 0.000 0.818 776 L CB 1.689 43.617 42.059 -0.218 0.000 1.296 776 L HN -0.082 nan 8.230 nan 0.000 0.427 777 L N 0.176 121.273 121.223 -0.210 0.000 2.537 777 L HA 0.246 4.603 4.340 0.028 0.000 0.224 777 L C 0.021 176.779 176.870 -0.186 0.000 1.065 777 L CA 0.670 55.394 54.840 -0.194 0.000 0.860 777 L CB 0.834 42.758 42.059 -0.225 0.000 1.086 777 L HN 0.635 nan 8.230 nan 0.000 0.482 778 T N -0.029 114.386 114.554 -0.232 0.000 2.912 778 T HA 0.387 4.754 4.350 0.028 0.000 0.299 778 T C -2.578 172.042 174.700 -0.133 0.000 1.052 778 T CA -1.110 60.890 62.100 -0.166 0.000 0.996 778 T CB 2.515 71.256 68.868 -0.213 0.000 1.070 778 T HN -0.277 nan 8.240 nan 0.000 0.465 779 P HA 0.175 nan 4.420 nan 0.000 0.269 779 P C -0.694 176.561 177.300 -0.076 0.000 1.215 779 P CA -0.688 62.369 63.100 -0.072 0.000 0.780 779 P CB 0.418 32.097 31.700 -0.035 0.000 0.898 780 L N 4.394 125.607 121.223 -0.016 0.000 2.407 780 L HA 0.235 4.592 4.340 0.028 0.000 0.282 780 L C 0.049 176.894 176.870 -0.042 0.000 1.110 780 L CA 0.687 55.559 54.840 0.053 0.000 0.863 780 L CB -0.685 41.506 42.059 0.220 0.000 1.207 780 L HN 0.300 nan 8.230 nan 0.000 0.454 781 R N 2.617 123.006 120.500 -0.185 0.000 2.888 781 R HA 0.517 4.874 4.340 0.028 0.000 0.266 781 R C -0.914 175.291 176.300 -0.158 0.000 1.020 781 R CA -1.025 54.830 56.100 -0.410 0.000 0.963 781 R CB 1.063 30.931 30.300 -0.720 0.000 1.197 781 R HN 0.508 nan 8.270 nan 0.000 0.481 782 D N 0.928 121.297 120.400 -0.051 0.000 2.357 782 D HA 0.088 4.745 4.640 0.028 0.000 0.242 782 D C -0.537 175.412 176.300 -0.587 0.000 1.153 782 D CA 0.241 54.034 54.000 -0.344 0.000 0.918 782 D CB 0.672 41.165 40.800 -0.511 0.000 1.181 782 D HN 0.194 nan 8.370 nan 0.000 0.435 783 Q N 0.885 120.133 119.800 -0.920 0.000 2.271 783 Q HA 0.313 4.670 4.340 0.028 0.000 0.268 783 Q C -1.322 174.005 176.000 -1.122 0.000 1.021 783 Q CA -0.562 54.776 55.803 -0.775 0.000 0.802 783 Q CB 0.818 29.286 28.738 -0.450 0.000 1.282 783 Q HN 0.501 nan 8.270 nan 0.000 0.431 784 F N 0.747 120.301 119.950 -0.659 0.000 2.683 784 F HA 0.201 4.744 4.527 0.028 0.000 0.306 784 F C 0.550 175.899 175.800 -0.751 0.000 1.102 784 F CA -0.072 57.431 58.000 -0.829 0.000 1.244 784 F CB 1.434 39.620 39.000 -1.355 0.000 1.029 784 F HN 0.414 nan 8.300 nan 0.000 0.545 785 T N -0.974 113.264 114.554 -0.527 0.000 2.887 785 T HA 0.831 5.197 4.350 0.028 0.000 0.292 785 T C -0.602 173.828 174.700 -0.450 0.000 1.087 785 T CA -0.989 60.722 62.100 -0.648 0.000 1.009 785 T CB 2.921 71.325 68.868 -0.773 0.000 1.203 785 T HN 0.256 nan 8.240 nan 0.000 0.518 786 R N -0.270 120.009 120.500 -0.368 0.000 2.707 786 R HA 0.759 5.116 4.340 0.028 0.000 0.272 786 R C -0.937 175.390 176.300 0.046 0.000 1.011 786 R CA -1.217 54.795 56.100 -0.147 0.000 0.893 786 R CB 1.421 31.630 30.300 -0.152 0.000 1.233 786 R HN 0.859 nan 8.270 nan 0.000 0.464 787 A N 3.673 126.513 122.820 0.034 0.000 2.505 787 A HA 0.260 4.597 4.320 0.028 0.000 0.271 787 A C -1.890 175.747 177.584 0.088 0.000 1.112 787 A CA -1.221 50.841 52.037 0.042 0.000 0.781 787 A CB -0.493 18.484 19.000 -0.038 0.000 1.059 787 A HN 0.583 nan 8.150 nan 0.000 0.508 788 P HA 0.023 nan 4.420 nan 0.000 0.260 788 P C -0.250 177.161 177.300 0.185 0.000 1.172 788 P CA 0.591 63.844 63.100 0.255 0.000 0.760 788 P CB 0.365 32.256 31.700 0.317 0.000 0.773 789 L N 2.819 124.120 121.223 0.130 0.000 2.468 789 L HA 0.137 4.494 4.340 0.028 0.000 0.254 789 L C 1.799 178.710 176.870 0.068 0.000 1.171 789 L CA -0.475 54.382 54.840 0.027 0.000 0.809 789 L CB -0.160 41.839 42.059 -0.100 0.000 1.155 789 L HN 0.220 nan 8.230 nan 0.000 0.473 790 D N -0.074 120.327 120.400 0.001 0.000 2.123 790 D HA -0.168 4.489 4.640 0.028 0.000 0.196 790 D C 1.650 177.949 176.300 -0.001 0.000 0.992 790 D CA 1.369 55.357 54.000 -0.021 0.000 0.833 790 D CB -0.148 40.615 40.800 -0.062 0.000 0.954 790 D HN 0.432 nan 8.370 nan 0.000 0.455 791 N N 0.711 119.400 118.700 -0.019 0.000 2.381 791 N HA -0.099 4.658 4.740 0.028 0.000 0.182 791 N C 0.934 176.468 175.510 0.040 0.000 1.025 791 N CA 0.717 53.762 53.050 -0.009 0.000 0.888 791 N CB -0.063 38.400 38.487 -0.041 0.000 0.965 791 N HN 0.271 nan 8.380 nan 0.000 0.438 792 D N 0.628 121.073 120.400 0.075 0.000 2.162 792 D HA 0.054 4.710 4.640 0.028 0.000 0.203 792 D C 2.082 178.444 176.300 0.104 0.000 0.967 792 D CA 0.351 54.433 54.000 0.136 0.000 0.840 792 D CB 0.050 41.021 40.800 0.285 0.000 0.972 792 D HN 0.275 nan 8.370 nan 0.000 0.482 793 I N 0.697 121.317 120.570 0.084 0.000 2.286 793 I HA -0.066 4.120 4.170 0.028 0.000 0.245 793 I C 1.285 177.398 176.117 -0.007 0.000 1.104 793 I CA 0.778 62.101 61.300 0.039 0.000 1.397 793 I CB -0.428 37.576 38.000 0.007 0.000 1.072 793 I HN 0.035 nan 8.210 nan 0.000 0.417 794 G N 2.361 111.159 108.800 -0.004 0.000 2.371 794 G HA2 -0.176 3.800 3.960 0.028 0.000 0.299 794 G HA3 -0.176 3.800 3.960 0.028 0.000 0.299 794 G C -0.006 174.880 174.900 -0.023 0.000 1.014 794 G CA 0.487 45.582 45.100 -0.008 0.000 1.097 794 G HN 0.462 nan 8.290 nan 0.000 0.512 795 V N -2.377 117.497 119.914 -0.067 0.000 2.577 795 V HA 0.859 4.995 4.120 0.028 0.000 0.303 795 V C 0.695 176.540 176.094 -0.415 0.000 1.042 795 V CA 0.146 62.338 62.300 -0.179 0.000 0.872 795 V CB 1.560 33.275 31.823 -0.180 0.000 0.998 795 V HN 0.972 nan 8.190 nan 0.000 0.423 796 S N 1.770 117.050 115.700 -0.701 0.000 2.556 796 S HA 0.343 4.830 4.470 0.028 0.000 0.216 796 S C 0.268 174.201 174.600 -1.111 0.000 0.970 796 S CA -0.161 57.011 58.200 -1.714 0.000 0.912 796 S CB -0.282 61.999 63.200 -1.532 0.000 0.790 796 S HN 0.874 nan 8.310 nan 0.000 0.504 797 E N 0.359 120.190 120.200 -0.615 0.000 2.274 797 E HA 0.517 4.883 4.350 0.028 0.000 0.269 797 E C 0.126 176.560 176.600 -0.275 0.000 0.891 797 E CA -0.340 55.812 56.400 -0.413 0.000 0.784 797 E CB 1.898 31.381 29.700 -0.361 0.000 1.225 797 E HN 0.181 nan 8.360 nan 0.000 0.412 798 A N 2.287 124.982 122.820 -0.209 0.000 2.024 798 A HA -0.146 4.190 4.320 0.028 0.000 0.220 798 A C 1.916 179.434 177.584 -0.110 0.000 1.164 798 A CA 1.815 53.773 52.037 -0.132 0.000 0.643 798 A CB -0.399 18.556 19.000 -0.076 0.000 0.806 798 A HN 0.545 nan 8.150 nan 0.000 0.451 799 T N 0.048 114.527 114.554 -0.125 0.000 2.951 799 T HA 0.000 4.367 4.350 0.028 0.000 0.268 799 T C 0.937 175.576 174.700 -0.102 0.000 1.073 799 T CA 0.626 62.665 62.100 -0.100 0.000 1.134 799 T CB -0.108 68.697 68.868 -0.106 0.000 0.884 799 T HN 0.486 nan 8.240 nan 0.000 0.479 800 R N 0.960 121.382 120.500 -0.131 0.000 2.357 800 R HA 0.545 4.901 4.340 0.028 0.000 0.296 800 R C -0.667 175.570 176.300 -0.105 0.000 1.052 800 R CA -0.208 55.819 56.100 -0.122 0.000 0.988 800 R CB 0.960 31.169 30.300 -0.152 0.000 1.025 800 R HN 0.251 nan 8.270 nan 0.000 0.469 801 I N 2.181 122.701 120.570 -0.083 0.000 2.464 801 I HA 0.084 4.271 4.170 0.028 0.000 0.277 801 I C -0.360 175.715 176.117 -0.071 0.000 1.040 801 I CA -0.586 60.672 61.300 -0.069 0.000 1.153 801 I CB 1.373 39.342 38.000 -0.051 0.000 1.274 801 I HN 0.449 nan 8.210 nan 0.000 0.469 802 D N 9.181 129.535 120.400 -0.078 0.000 2.338 802 D HA 0.130 4.787 4.640 0.028 0.000 0.255 802 D C -1.400 174.846 176.300 -0.091 0.000 1.237 802 D CA -1.690 52.260 54.000 -0.083 0.000 0.883 802 D CB 1.746 42.496 40.800 -0.084 0.000 1.087 802 D HN 0.284 nan 8.370 nan 0.000 0.485 803 P HA -0.064 nan 4.420 nan 0.000 0.229 803 P C 0.864 178.073 177.300 -0.151 0.000 1.160 803 P CA 0.316 63.356 63.100 -0.101 0.000 0.777 803 P CB 0.614 32.264 31.700 -0.083 0.000 0.814 804 N N 0.069 118.668 118.700 -0.168 0.000 2.463 804 N HA 0.040 4.797 4.740 0.028 0.000 0.181 804 N C 0.603 175.916 175.510 -0.330 0.000 1.078 804 N CA 0.025 52.929 53.050 -0.243 0.000 0.902 804 N CB -0.034 38.334 38.487 -0.199 0.000 0.970 804 N HN 0.042 nan 8.380 nan 0.000 0.451 805 A N 0.032 122.707 122.820 -0.241 0.000 2.498 805 A HA -0.010 4.326 4.320 0.028 0.000 0.239 805 A C 0.798 178.185 177.584 -0.328 0.000 1.068 805 A CA -0.291 51.610 52.037 -0.228 0.000 0.766 805 A CB -0.139 18.793 19.000 -0.113 0.000 1.003 805 A HN 0.381 nan 8.150 nan 0.000 0.497 806 W N 1.805 122.860 121.300 -0.409 0.000 2.304 806 W HA -0.216 4.461 4.660 0.027 0.000 0.315 806 W C 2.234 178.214 176.519 -0.898 0.000 1.233 806 W CA 1.896 58.738 57.345 -0.839 0.000 1.261 806 W CB -0.437 28.389 29.460 -1.056 0.000 1.150 806 W HN 0.566 nan 8.180 nan 0.000 0.494 807 V N 0.766 120.605 119.914 -0.126 0.000 2.407 807 V HA -0.261 3.875 4.120 0.028 0.000 0.248 807 V C 2.152 178.363 176.094 0.194 0.000 1.055 807 V CA 2.144 64.604 62.300 0.268 0.000 1.049 807 V CB -0.340 31.647 31.823 0.274 0.000 0.662 807 V HN 0.081 nan 8.190 nan 0.000 0.455 808 E N 0.087 120.294 120.200 0.012 0.000 2.072 808 E HA -0.154 4.212 4.350 0.028 0.000 0.190 808 E C 2.340 178.921 176.600 -0.031 0.000 0.982 808 E CA 1.114 57.512 56.400 -0.003 0.000 0.803 808 E CB -0.341 29.324 29.700 -0.059 0.000 0.755 808 E HN 0.635 nan 8.360 nan 0.000 0.453 809 R N -0.119 120.287 120.500 -0.157 0.000 2.081 809 R HA -0.119 4.238 4.340 0.028 0.000 0.235 809 R C 2.313 178.560 176.300 -0.088 0.000 1.131 809 R CA 1.289 57.267 56.100 -0.204 0.000 0.960 809 R CB -0.228 29.822 30.300 -0.416 0.000 0.856 809 R HN 0.247 nan 8.270 nan 0.000 0.436 810 W N 1.621 122.894 121.300 -0.045 0.000 2.355 810 W HA -0.073 4.604 4.660 0.028 0.000 0.309 810 W C 1.973 178.475 176.519 -0.029 0.000 1.206 810 W CA 0.720 57.968 57.345 -0.162 0.000 1.284 810 W CB -0.621 28.881 29.460 0.069 0.000 1.145 810 W HN 0.108 nan 8.180 nan 0.000 0.502 811 K N 0.106 120.740 120.400 0.391 0.000 2.026 811 K HA -0.099 4.237 4.320 0.028 0.000 0.208 811 K C 2.266 178.929 176.600 0.105 0.000 1.048 811 K CA 1.805 58.265 56.287 0.288 0.000 0.929 811 K CB -0.627 31.988 32.500 0.192 0.000 0.713 811 K HN -0.027 nan 8.250 nan 0.000 0.439 812 A N 1.137 123.991 122.820 0.056 0.000 2.019 812 A HA -0.089 4.248 4.320 0.028 0.000 0.219 812 A C 2.206 179.793 177.584 0.004 0.000 1.164 812 A CA 1.787 53.840 52.037 0.026 0.000 0.644 812 A CB -0.516 18.485 19.000 0.001 0.000 0.805 812 A HN 0.349 nan 8.150 nan 0.000 0.449 813 A N -2.076 120.715 122.820 -0.047 0.000 2.123 813 A HA 0.403 4.740 4.320 0.028 0.000 0.214 813 A C 1.855 179.364 177.584 -0.125 0.000 1.152 813 A CA 1.275 53.287 52.037 -0.041 0.000 0.728 813 A CB -0.698 18.222 19.000 -0.134 0.000 0.814 813 A HN 1.850 nan 8.150 nan 0.000 0.464 814 G N -1.644 106.982 108.800 -0.290 0.000 2.141 814 G HA2 -0.293 3.684 3.960 0.028 0.000 0.242 814 G HA3 -0.293 3.684 3.960 0.028 0.000 0.242 814 G C 0.602 175.485 174.900 -0.028 0.000 0.982 814 G CA 0.642 45.363 45.100 -0.632 0.000 0.662 814 G HN 0.722 nan 8.290 nan 0.000 0.527 815 H N -1.360 117.689 119.070 -0.034 0.000 2.390 815 H HA -0.135 4.437 4.556 0.028 0.000 0.298 815 H C 2.159 177.448 175.328 -0.065 0.000 1.106 815 H CA 1.717 57.759 56.048 -0.009 0.000 1.297 815 H CB 0.055 29.751 29.762 -0.110 0.000 1.375 815 H HN 0.589 nan 8.280 nan 0.000 0.509 816 Y N 0.502 120.910 120.300 0.180 0.000 2.516 816 Y HA -0.063 4.504 4.550 0.027 0.000 0.291 816 Y C 2.051 178.020 175.900 0.114 0.000 1.131 816 Y CA 0.625 58.791 58.100 0.110 0.000 1.281 816 Y CB 0.292 38.803 38.460 0.084 0.000 1.013 816 Y HN 0.232 nan 8.280 nan 0.000 0.554 817 Q N -0.428 119.520 119.800 0.247 0.000 2.350 817 Q HA 0.310 4.667 4.340 0.028 0.000 0.225 817 Q C 0.925 177.089 176.000 0.273 0.000 0.878 817 Q CA 0.073 56.014 55.803 0.229 0.000 0.935 817 Q CB 0.403 29.265 28.738 0.207 0.000 1.099 817 Q HN 0.260 nan 8.270 nan 0.000 0.527 818 A N 2.060 125.055 122.820 0.292 0.000 2.603 818 A HA -0.097 4.240 4.320 0.028 0.000 0.235 818 A C -0.226 177.624 177.584 0.442 0.000 1.035 818 A CA 0.713 52.986 52.037 0.393 0.000 0.755 818 A CB 0.091 19.371 19.000 0.467 0.000 0.954 818 A HN 0.204 nan 8.150 nan 0.000 0.511 819 E N 0.821 121.221 120.200 0.333 0.000 2.176 819 E HA 0.492 4.859 4.350 0.028 0.000 0.267 819 E C -0.178 176.388 176.600 -0.058 0.000 0.893 819 E CA -0.599 55.918 56.400 0.196 0.000 0.761 819 E CB 1.870 31.651 29.700 0.135 0.000 1.133 819 E HN 0.842 nan 8.360 nan 0.000 0.409 820 A N 2.423 125.086 122.820 -0.262 0.000 2.450 820 A HA 0.509 4.845 4.320 0.028 0.000 0.255 820 A C -0.212 177.207 177.584 -0.276 0.000 1.096 820 A CA -0.098 51.467 52.037 -0.786 0.000 0.778 820 A CB 0.329 18.969 19.000 -0.600 0.000 1.031 820 A HN 0.578 nan 8.150 nan 0.000 0.494 821 A N 2.864 125.520 122.820 -0.273 0.000 2.304 821 A HA 0.571 4.908 4.320 0.028 0.000 0.314 821 A C -0.441 177.056 177.584 -0.144 0.000 1.187 821 A CA -0.592 51.374 52.037 -0.119 0.000 0.810 821 A CB 0.539 19.489 19.000 -0.083 0.000 1.183 821 A HN 1.289 nan 8.150 nan 0.000 0.487 822 L N 3.231 124.357 121.223 -0.162 0.000 2.462 822 L HA 0.264 4.620 4.340 0.028 0.000 0.272 822 L C 0.409 177.133 176.870 -0.243 0.000 1.166 822 L CA 0.460 55.086 54.840 -0.356 0.000 0.880 822 L CB 0.137 42.027 42.059 -0.283 0.000 1.142 822 L HN 0.773 nan 8.230 nan 0.000 0.473 823 L N 3.406 124.467 121.223 -0.270 0.000 2.537 823 L HA 0.328 4.685 4.340 0.028 0.000 0.224 823 L C 0.442 177.240 176.870 -0.120 0.000 1.065 823 L CA 0.046 54.802 54.840 -0.140 0.000 0.860 823 L CB 0.105 42.113 42.059 -0.086 0.000 1.086 823 L HN 0.740 nan 8.230 nan 0.000 0.482 824 Q N -0.511 119.189 119.800 -0.167 0.000 2.438 824 Q HA 0.312 4.668 4.340 0.028 0.000 0.272 824 Q C -2.034 173.906 176.000 -0.100 0.000 0.994 824 Q CA -0.518 55.227 55.803 -0.097 0.000 0.887 824 Q CB 2.974 31.681 28.738 -0.052 0.000 1.432 824 Q HN 0.043 nan 8.270 nan 0.000 0.392 825 C N 3.293 122.583 119.300 -0.018 0.000 3.102 825 C HA 0.677 5.154 4.460 0.028 0.000 0.363 825 C C -0.924 174.181 174.990 0.192 0.000 1.048 825 C CA 0.393 59.451 59.018 0.067 0.000 1.330 825 C CB 0.165 27.949 27.740 0.073 0.000 1.771 825 C HN 0.792 nan 8.230 nan 0.000 0.526 826 T N 2.040 116.624 114.554 0.049 0.000 2.916 826 T HA 0.906 5.273 4.350 0.028 0.000 0.292 826 T C -0.373 174.063 174.700 -0.440 0.000 1.055 826 T CA -0.292 61.775 62.100 -0.056 0.000 1.009 826 T CB 1.984 70.822 68.868 -0.049 0.000 1.118 826 T HN 1.487 nan 8.240 nan 0.000 0.497 827 A N 1.530 123.927 122.820 -0.705 0.000 2.365 827 A HA 0.790 5.126 4.320 0.028 0.000 0.318 827 A C -1.124 176.212 177.584 -0.413 0.000 1.091 827 A CA -0.732 50.811 52.037 -0.823 0.000 0.763 827 A CB 1.228 19.328 19.000 -1.501 0.000 1.248 827 A HN 0.886 nan 8.150 nan 0.000 0.442 828 D N 0.534 120.743 120.400 -0.318 0.000 2.756 828 D HA 0.478 5.134 4.640 0.028 0.000 0.226 828 D C -1.105 175.092 176.300 -0.171 0.000 1.186 828 D CA -0.021 53.862 54.000 -0.195 0.000 0.845 828 D CB 2.392 43.106 40.800 -0.142 0.000 1.610 828 D HN 0.396 nan 8.370 nan 0.000 0.465 829 T N 1.643 116.122 114.554 -0.125 0.000 2.794 829 T HA 0.531 4.898 4.350 0.028 0.000 0.280 829 T C 0.452 175.109 174.700 -0.072 0.000 0.987 829 T CA -0.432 61.607 62.100 -0.102 0.000 0.993 829 T CB 0.939 69.754 68.868 -0.088 0.000 0.939 829 T HN 0.100 nan 8.240 nan 0.000 0.449 830 L N 1.364 122.549 121.223 -0.062 0.000 2.421 830 L HA 0.612 4.969 4.340 0.028 0.000 0.267 830 L C 1.980 178.833 176.870 -0.028 0.000 1.036 830 L CA -1.211 53.603 54.840 -0.043 0.000 0.829 830 L CB 0.370 42.403 42.059 -0.043 0.000 1.437 830 L HN 0.703 nan 8.230 nan 0.000 0.488 831 A N 0.421 123.230 122.820 -0.020 0.000 1.948 831 A HA -0.178 4.158 4.320 0.028 0.000 0.220 831 A C 1.063 178.644 177.584 -0.005 0.000 1.177 831 A CA 2.202 54.233 52.037 -0.010 0.000 0.636 831 A CB -0.492 18.503 19.000 -0.008 0.000 0.815 831 A HN 0.903 nan 8.150 nan 0.000 0.449 832 D N -2.868 117.527 120.400 -0.008 0.000 2.692 832 D HA 0.540 5.197 4.640 0.028 0.000 0.290 832 D C -0.146 176.149 176.300 -0.008 0.000 1.455 832 D CA 0.670 54.670 54.000 -0.000 0.000 0.796 832 D CB -0.173 40.629 40.800 0.004 0.000 1.131 832 D HN 0.537 nan 8.370 nan 0.000 0.467 833 A N -0.555 122.250 122.820 -0.026 0.000 2.515 833 A HA 0.556 4.893 4.320 0.028 0.000 0.292 833 A C -1.878 175.661 177.584 -0.075 0.000 1.065 833 A CA -0.676 51.331 52.037 -0.049 0.000 0.641 833 A CB 1.395 20.363 19.000 -0.054 0.000 1.306 833 A HN 0.030 nan 8.150 nan 0.000 0.441 834 V N 0.859 120.708 119.914 -0.109 0.000 2.417 834 V HA 0.572 4.709 4.120 0.028 0.000 0.291 834 V C -0.828 175.160 176.094 -0.177 0.000 1.024 834 V CA -0.382 61.829 62.300 -0.149 0.000 0.861 834 V CB 1.226 32.956 31.823 -0.155 0.000 0.985 834 V HN 0.828 nan 8.190 nan 0.000 0.436 835 L N 6.962 128.073 121.223 -0.186 0.000 2.280 835 L HA 0.593 4.950 4.340 0.028 0.000 0.287 835 L C -0.565 176.148 176.870 -0.262 0.000 1.023 835 L CA 0.087 54.822 54.840 -0.175 0.000 0.819 835 L CB 0.926 42.913 42.059 -0.120 0.000 1.212 835 L HN 0.406 nan 8.230 nan 0.000 0.420 836 I N 4.431 124.831 120.570 -0.283 0.000 2.336 836 I HA 0.350 4.537 4.170 0.028 0.000 0.292 836 I C 0.032 176.079 176.117 -0.117 0.000 0.991 836 I CA -0.174 60.887 61.300 -0.398 0.000 1.227 836 I CB 1.283 38.772 38.000 -0.851 0.000 1.366 836 I HN 0.549 nan 8.210 nan 0.000 0.466 837 T N 5.089 119.573 114.554 -0.116 0.000 2.792 837 T HA 0.585 4.952 4.350 0.028 0.000 0.280 837 T C 0.267 174.988 174.700 0.034 0.000 0.990 837 T CA -0.524 61.574 62.100 -0.004 0.000 0.960 837 T CB 1.635 70.484 68.868 -0.033 0.000 0.939 837 T HN 0.782 nan 8.240 nan 0.000 0.439 838 T N -0.370 114.255 114.554 0.118 0.000 2.901 838 T HA 0.884 5.250 4.350 0.028 0.000 0.293 838 T C -1.195 173.559 174.700 0.089 0.000 1.084 838 T CA -1.079 61.080 62.100 0.098 0.000 1.008 838 T CB 2.055 71.068 68.868 0.241 0.000 1.170 838 T HN 0.788 nan 8.240 nan 0.000 0.509 839 A N 1.490 124.281 122.820 -0.049 0.000 2.465 839 A HA 0.706 5.042 4.320 0.028 0.000 0.292 839 A C -1.552 175.908 177.584 -0.206 0.000 1.041 839 A CA -0.784 51.257 52.037 0.006 0.000 0.718 839 A CB 0.791 19.793 19.000 0.003 0.000 1.266 839 A HN 1.004 nan 8.150 nan 0.000 0.403 840 H N 0.332 119.444 119.070 0.071 0.000 2.717 840 H HA 0.759 5.332 4.556 0.028 0.000 0.366 840 H C 0.008 175.351 175.328 0.026 0.000 1.132 840 H CA 0.290 56.292 56.048 -0.077 0.000 1.180 840 H CB 2.141 31.729 29.762 -0.290 0.000 1.678 840 H HN 0.988 nan 8.280 nan 0.000 0.537 841 A N 2.435 125.266 122.820 0.019 0.000 2.318 841 A HA 0.382 4.719 4.320 0.028 0.000 0.324 841 A C -1.204 176.388 177.584 0.013 0.000 1.170 841 A CA -0.692 51.410 52.037 0.108 0.000 0.810 841 A CB 0.887 19.919 19.000 0.054 0.000 1.198 841 A HN 0.606 nan 8.150 nan 0.000 0.484 842 W N 2.306 123.695 121.300 0.149 0.000 2.314 842 W HA 0.407 5.083 4.660 0.028 0.000 0.310 842 W C -0.366 176.167 176.519 0.024 0.000 1.075 842 W CA -0.062 57.367 57.345 0.140 0.000 1.253 842 W CB 1.513 31.101 29.460 0.213 0.000 1.238 842 W HN 0.754 nan 8.180 nan 0.000 0.440 843 Q N 1.497 121.411 119.800 0.191 0.000 2.433 843 Q HA 0.330 4.686 4.340 0.028 0.000 0.279 843 Q C -1.259 174.862 176.000 0.201 0.000 1.105 843 Q CA -0.988 54.895 55.803 0.133 0.000 0.815 843 Q CB 3.283 32.063 28.738 0.070 0.000 1.403 843 Q HN 0.356 nan 8.270 nan 0.000 0.435 844 H N 1.147 120.251 119.070 0.057 0.000 3.013 844 H HA 0.142 4.714 4.556 0.028 0.000 0.326 844 H C -1.157 174.201 175.328 0.050 0.000 0.973 844 H CA -0.212 55.879 56.048 0.073 0.000 1.369 844 H CB 0.626 30.442 29.762 0.090 0.000 1.598 844 H HN 0.638 nan 8.280 nan 0.000 0.518 845 Q N 3.926 123.529 119.800 -0.328 0.000 2.439 845 Q HA -0.257 4.100 4.340 0.028 0.000 0.325 845 Q C 0.990 176.925 176.000 -0.108 0.000 1.372 845 Q CA 1.079 56.726 55.803 -0.260 0.000 0.909 845 Q CB -1.760 26.738 28.738 -0.401 0.000 1.167 845 Q HN 1.294 nan 8.270 nan 0.000 0.418 846 G N -0.486 108.284 108.800 -0.050 0.000 2.253 846 G HA2 -0.376 3.600 3.960 0.028 0.000 0.251 846 G HA3 -0.376 3.600 3.960 0.028 0.000 0.251 846 G C 0.143 175.042 174.900 -0.001 0.000 0.998 846 G CA 0.560 45.649 45.100 -0.019 0.000 0.621 846 G HN 0.383 nan 8.290 nan 0.000 0.524 847 K N 2.066 122.471 120.400 0.009 0.000 2.248 847 K HA 0.604 4.940 4.320 0.028 0.000 0.281 847 K C 0.077 176.689 176.600 0.019 0.000 1.054 847 K CA -0.042 56.258 56.287 0.021 0.000 0.903 847 K CB 0.629 33.154 32.500 0.043 0.000 1.077 847 K HN 0.016 nan 8.250 nan 0.000 0.474 848 T N 6.645 121.200 114.554 0.003 0.000 2.738 848 T HA 0.172 4.539 4.350 0.028 0.000 0.294 848 T C 1.215 175.859 174.700 -0.094 0.000 0.914 848 T CA -0.277 61.820 62.100 -0.005 0.000 1.052 848 T CB 0.172 69.053 68.868 0.020 0.000 0.897 848 T HN 0.523 nan 8.240 nan 0.000 0.522 849 L N 2.534 123.619 121.223 -0.230 0.000 2.049 849 L HA 0.250 4.607 4.340 0.028 0.000 0.203 849 L C -0.043 176.299 176.870 -0.880 0.000 1.074 849 L CA 1.064 55.483 54.840 -0.700 0.000 0.749 849 L CB -0.019 41.341 42.059 -1.165 0.000 0.907 849 L HN 0.488 nan 8.230 nan 0.000 0.439 850 F N -1.142 118.760 119.950 -0.080 0.000 2.599 850 F HA 0.578 5.121 4.527 0.027 0.000 0.311 850 F C -0.381 175.509 175.800 0.150 0.000 1.076 850 F CA -0.983 56.911 58.000 -0.177 0.000 0.937 850 F CB 1.541 39.993 39.000 -0.913 0.000 1.282 850 F HN -0.291 nan 8.300 nan 0.000 0.460 851 I N 1.443 122.233 120.570 0.367 0.000 2.466 851 I HA 0.372 4.559 4.170 0.028 0.000 0.289 851 I C -0.789 175.598 176.117 0.450 0.000 1.026 851 I CA -0.540 60.999 61.300 0.399 0.000 1.078 851 I CB 2.158 40.303 38.000 0.241 0.000 1.249 851 I HN 0.561 nan 8.210 nan 0.000 0.429 852 S N 6.920 122.983 115.700 0.604 0.000 2.498 852 S HA 0.569 5.055 4.470 0.028 0.000 0.317 852 S C -0.641 174.204 174.600 0.409 0.000 1.090 852 S CA -0.665 57.866 58.200 0.552 0.000 1.089 852 S CB 0.690 64.359 63.200 0.782 0.000 0.997 852 S HN 0.550 nan 8.310 nan 0.000 0.470 853 R N 3.589 124.254 120.500 0.273 0.000 2.387 853 R HA 0.556 4.912 4.340 0.028 0.000 0.314 853 R C -0.675 175.710 176.300 0.141 0.000 0.958 853 R CA -0.733 55.483 56.100 0.194 0.000 0.846 853 R CB 1.755 32.141 30.300 0.143 0.000 1.147 853 R HN 0.578 nan 8.270 nan 0.000 0.447 854 K N 0.733 121.217 120.400 0.140 0.000 2.480 854 K HA 0.511 4.848 4.320 0.028 0.000 0.258 854 K C -0.813 175.811 176.600 0.040 0.000 0.990 854 K CA -0.975 55.336 56.287 0.039 0.000 0.857 854 K CB 2.495 35.005 32.500 0.017 0.000 1.384 854 K HN 0.619 nan 8.250 nan 0.000 0.446 855 T N -1.412 113.094 114.554 -0.080 0.000 2.971 855 T HA 0.500 4.867 4.350 0.028 0.000 0.304 855 T C -1.428 173.203 174.700 -0.115 0.000 1.038 855 T CA -0.757 61.335 62.100 -0.012 0.000 1.007 855 T CB 0.398 69.257 68.868 -0.015 0.000 1.055 855 T HN 0.392 nan 8.240 nan 0.000 0.451 856 Y N 1.284 121.556 120.300 -0.047 0.000 2.328 856 Y HA 0.641 5.207 4.550 0.028 0.000 0.336 856 Y C 0.570 176.402 175.900 -0.113 0.000 0.960 856 Y CA -1.149 56.936 58.100 -0.025 0.000 1.134 856 Y CB 1.865 40.350 38.460 0.042 0.000 1.166 856 Y HN 0.662 nan 8.280 nan 0.000 0.464 857 R N 4.515 125.033 120.500 0.029 0.000 2.320 857 R HA 0.572 4.929 4.340 0.028 0.000 0.319 857 R C -1.534 174.709 176.300 -0.096 0.000 0.969 857 R CA -0.340 55.733 56.100 -0.044 0.000 0.857 857 R CB 0.377 30.660 30.300 -0.028 0.000 1.160 857 R HN 0.763 nan 8.270 nan 0.000 0.491 858 I N 5.300 125.758 120.570 -0.186 0.000 2.306 858 I HA 0.149 4.336 4.170 0.028 0.000 0.288 858 I C -0.108 175.894 176.117 -0.191 0.000 1.036 858 I CA -0.710 60.397 61.300 -0.323 0.000 1.221 858 I CB 1.048 38.672 38.000 -0.627 0.000 1.385 858 I HN 0.658 nan 8.210 nan 0.000 0.472 859 D N 4.191 124.523 120.400 -0.112 0.000 2.466 859 D HA 0.221 4.878 4.640 0.028 0.000 0.262 859 D C 1.425 177.727 176.300 0.003 0.000 1.177 859 D CA -0.650 53.327 54.000 -0.038 0.000 1.035 859 D CB 0.772 41.569 40.800 -0.005 0.000 1.105 859 D HN 0.434 nan 8.370 nan 0.000 0.551 860 G N -1.297 107.524 108.800 0.036 0.000 2.498 860 G HA2 -0.201 3.776 3.960 0.028 0.000 0.219 860 G HA3 -0.201 3.776 3.960 0.028 0.000 0.219 860 G C 1.192 176.155 174.900 0.104 0.000 1.119 860 G CA 0.906 46.052 45.100 0.076 0.000 0.766 860 G HN 0.553 nan 8.290 nan 0.000 0.552 861 S N -0.759 114.997 115.700 0.093 0.000 2.593 861 S HA 0.373 4.859 4.470 0.028 0.000 0.217 861 S C 1.774 176.450 174.600 0.126 0.000 0.966 861 S CA 0.864 59.129 58.200 0.108 0.000 0.914 861 S CB -0.072 63.184 63.200 0.093 0.000 0.776 861 S HN 1.443 nan 8.310 nan 0.000 0.523 862 G N 0.591 109.479 108.800 0.147 0.000 2.143 862 G HA2 -0.232 3.745 3.960 0.028 0.000 0.249 862 G HA3 -0.232 3.745 3.960 0.028 0.000 0.249 862 G C -0.237 174.798 174.900 0.224 0.000 0.981 862 G CA 0.069 45.321 45.100 0.253 0.000 0.665 862 G HN 0.620 nan 8.290 nan 0.000 0.528 863 Q N -0.515 119.347 119.800 0.104 0.000 2.230 863 Q HA 0.635 4.992 4.340 0.028 0.000 0.253 863 Q C 0.166 176.162 176.000 -0.007 0.000 0.919 863 Q CA -0.388 55.473 55.803 0.096 0.000 0.908 863 Q CB 1.699 30.492 28.738 0.092 0.000 1.245 863 Q HN 0.432 nan 8.270 nan 0.000 0.437 864 M N 2.154 121.779 119.600 0.042 0.000 2.044 864 M HA 0.475 4.971 4.480 0.028 0.000 0.333 864 M C -1.303 175.065 176.300 0.113 0.000 1.004 864 M CA -0.494 54.795 55.300 -0.019 0.000 0.954 864 M CB 0.845 33.411 32.600 -0.056 0.000 1.468 864 M HN 0.705 nan 8.290 nan 0.000 0.414 865 A N 6.686 129.544 122.820 0.065 0.000 2.309 865 A HA 0.607 4.944 4.320 0.028 0.000 0.290 865 A C -0.629 176.971 177.584 0.027 0.000 1.206 865 A CA -0.471 51.609 52.037 0.072 0.000 0.850 865 A CB -0.072 18.956 19.000 0.047 0.000 1.118 865 A HN 0.924 nan 8.150 nan 0.000 0.523 866 I N 2.897 123.472 120.570 0.009 0.000 2.354 866 I HA 0.253 4.439 4.170 0.028 0.000 0.286 866 I C -0.153 175.849 176.117 -0.192 0.000 1.007 866 I CA -0.142 61.054 61.300 -0.173 0.000 1.167 866 I CB 1.836 39.755 38.000 -0.135 0.000 1.320 866 I HN 0.493 nan 8.210 nan 0.000 0.458 867 T N 5.956 120.370 114.554 -0.233 0.000 2.767 867 T HA 0.527 4.893 4.350 0.028 0.000 0.284 867 T C -0.137 174.380 174.700 -0.306 0.000 0.973 867 T CA -0.451 61.519 62.100 -0.217 0.000 0.996 867 T CB 1.663 70.499 68.868 -0.054 0.000 0.927 867 T HN 0.196 nan 8.240 nan 0.000 0.456 868 V N 3.660 123.268 119.914 -0.510 0.000 2.540 868 V HA 0.487 4.624 4.120 0.028 0.000 0.302 868 V C -0.674 175.241 176.094 -0.299 0.000 1.035 868 V CA -0.911 61.100 62.300 -0.482 0.000 0.873 868 V CB 2.094 33.364 31.823 -0.921 0.000 0.992 868 V HN 0.846 nan 8.190 nan 0.000 0.428 869 D N 3.247 123.646 120.400 -0.002 0.000 2.542 869 D HA 0.470 5.126 4.640 0.028 0.000 0.252 869 D C -1.008 175.419 176.300 0.212 0.000 1.222 869 D CA -0.082 54.020 54.000 0.170 0.000 0.895 869 D CB 2.648 43.576 40.800 0.213 0.000 1.207 869 D HN 0.248 nan 8.370 nan 0.000 0.558 870 V N 2.235 122.316 119.914 0.278 0.000 2.547 870 V HA 0.296 4.433 4.120 0.028 0.000 0.299 870 V C 0.182 176.439 176.094 0.272 0.000 1.040 870 V CA -0.626 61.864 62.300 0.317 0.000 0.913 870 V CB 2.387 34.453 31.823 0.405 0.000 0.992 870 V HN 0.357 nan 8.190 nan 0.000 0.449 871 E N 2.376 122.723 120.200 0.246 0.000 2.171 871 E HA 0.588 4.955 4.350 0.028 0.000 0.271 871 E C -1.526 175.208 176.600 0.224 0.000 0.916 871 E CA -0.498 56.019 56.400 0.195 0.000 0.774 871 E CB 2.361 32.153 29.700 0.155 0.000 1.128 871 E HN 0.425 nan 8.360 nan 0.000 0.403 872 V N 2.517 122.567 119.914 0.225 0.000 2.409 872 V HA 0.350 4.486 4.120 0.028 0.000 0.291 872 V C 0.088 176.290 176.094 0.180 0.000 1.020 872 V CA -0.929 61.538 62.300 0.278 0.000 0.848 872 V CB 1.415 33.454 31.823 0.360 0.000 0.990 872 V HN 0.834 nan 8.190 nan 0.000 0.430 873 A N 3.688 126.566 122.820 0.096 0.000 2.566 873 A HA 0.219 4.556 4.320 0.028 0.000 0.245 873 A C 1.649 179.305 177.584 0.120 0.000 1.056 873 A CA 0.664 52.741 52.037 0.067 0.000 0.757 873 A CB 0.173 19.173 19.000 -0.001 0.000 0.979 873 A HN 1.362 nan 8.150 nan 0.000 0.508 874 S N 1.495 117.263 115.700 0.113 0.000 2.442 874 S HA -0.159 4.327 4.470 0.028 0.000 0.236 874 S C 0.939 175.615 174.600 0.127 0.000 1.007 874 S CA 1.301 59.587 58.200 0.143 0.000 0.965 874 S CB -0.246 63.017 63.200 0.105 0.000 0.773 874 S HN 0.831 nan 8.310 nan 0.000 0.504 875 D N 0.163 120.612 120.400 0.081 0.000 2.349 875 D HA 0.110 4.767 4.640 0.028 0.000 0.214 875 D C 0.462 176.789 176.300 0.044 0.000 1.063 875 D CA 0.036 54.065 54.000 0.048 0.000 0.847 875 D CB -0.269 40.549 40.800 0.030 0.000 0.933 875 D HN 0.311 nan 8.370 nan 0.000 0.513 876 T N 1.782 116.389 114.554 0.088 0.000 2.902 876 T HA 0.375 4.742 4.350 0.028 0.000 0.283 876 T C -2.629 172.172 174.700 0.169 0.000 1.009 876 T CA -1.924 60.253 62.100 0.129 0.000 1.051 876 T CB 1.521 70.488 68.868 0.165 0.000 0.999 876 T HN -0.118 nan 8.240 nan 0.000 0.474 877 P HA 0.065 nan 4.420 nan 0.000 0.265 877 P C -0.506 177.112 177.300 0.531 0.000 1.193 877 P CA -0.203 62.991 63.100 0.157 0.000 0.765 877 P CB 0.215 31.956 31.700 0.069 0.000 0.823 878 H N 3.442 122.886 119.070 0.624 0.000 3.125 878 H HA 0.039 4.612 4.556 0.027 0.000 0.310 878 H C -1.624 174.089 175.328 0.641 0.000 0.980 878 H CA -1.382 54.991 56.048 0.542 0.000 1.422 878 H CB -0.882 29.139 29.762 0.431 0.000 1.432 878 H HN 0.382 nan 8.280 nan 0.000 0.577 879 P HA 0.026 nan 4.420 nan 0.000 0.272 879 P C 0.350 177.609 177.300 -0.067 0.000 1.223 879 P CA -0.197 63.007 63.100 0.173 0.000 0.784 879 P CB 0.808 32.418 31.700 -0.150 0.000 0.923 880 A N 3.611 126.149 122.820 -0.469 0.000 2.015 880 A HA -0.092 4.245 4.320 0.028 0.000 0.219 880 A C 1.059 178.277 177.584 -0.610 0.000 1.163 880 A CA 1.260 52.964 52.037 -0.556 0.000 0.646 880 A CB -0.528 17.882 19.000 -0.984 0.000 0.806 880 A HN 0.768 nan 8.150 nan 0.000 0.448 881 R N -2.887 117.276 120.500 -0.562 0.000 2.728 881 R HA 0.700 5.057 4.340 0.028 0.000 0.274 881 R C -1.699 174.332 176.300 -0.448 0.000 1.032 881 R CA -0.763 55.004 56.100 -0.555 0.000 0.866 881 R CB 0.639 30.531 30.300 -0.680 0.000 1.263 881 R HN -0.009 nan 8.270 nan 0.000 0.475 882 I N 1.232 121.569 120.570 -0.388 0.000 2.517 882 I HA 0.704 4.890 4.170 0.028 0.000 0.280 882 I C -0.315 175.539 176.117 -0.438 0.000 1.061 882 I CA -0.352 60.730 61.300 -0.363 0.000 1.091 882 I CB 1.842 39.735 38.000 -0.179 0.000 1.205 882 I HN 0.987 nan 8.210 nan 0.000 0.459 883 G N 5.848 114.333 108.800 -0.526 0.000 2.570 883 G HA2 0.705 4.681 3.960 0.028 0.000 0.310 883 G HA3 0.705 4.681 3.960 0.028 0.000 0.310 883 G C -1.748 172.967 174.900 -0.308 0.000 1.266 883 G CA -0.602 44.244 45.100 -0.424 0.000 0.825 883 G HN 0.280 nan 8.290 nan 0.000 0.483 884 L N 0.927 122.023 121.223 -0.212 0.000 2.333 884 L HA 0.670 5.027 4.340 0.028 0.000 0.263 884 L C -0.773 175.987 176.870 -0.183 0.000 1.014 884 L CA -1.151 53.599 54.840 -0.151 0.000 0.820 884 L CB 2.477 44.531 42.059 -0.008 0.000 1.352 884 L HN 0.818 nan 8.230 nan 0.000 0.421 885 N N 0.631 119.257 118.700 -0.123 0.000 2.494 885 N HA 0.696 5.452 4.740 0.028 0.000 0.270 885 N C -1.267 174.254 175.510 0.019 0.000 1.285 885 N CA -0.527 52.484 53.050 -0.065 0.000 0.812 885 N CB 2.406 40.872 38.487 -0.036 0.000 1.557 885 N HN 0.866 nan 8.380 nan 0.000 0.487 886 C N -1.138 118.190 119.300 0.047 0.000 3.292 886 C HA 0.586 5.062 4.460 0.028 0.000 0.338 886 C C -1.233 173.570 174.990 -0.311 0.000 1.323 886 C CA -0.843 58.146 59.018 -0.048 0.000 1.232 886 C CB 1.007 28.744 27.740 -0.006 0.000 1.517 886 C HN 0.877 nan 8.230 nan 0.000 0.470 887 Q N 1.374 120.778 119.800 -0.660 0.000 2.394 887 Q HA 0.651 5.008 4.340 0.028 0.000 0.259 887 Q C -1.131 174.589 176.000 -0.466 0.000 1.021 887 Q CA -0.438 54.749 55.803 -1.026 0.000 0.805 887 Q CB 0.784 28.549 28.738 -1.621 0.000 1.226 887 Q HN 0.762 nan 8.270 nan 0.000 0.476 888 L N 3.089 124.149 121.223 -0.272 0.000 2.367 888 L HA 0.244 4.601 4.340 0.028 0.000 0.275 888 L C 1.264 178.092 176.870 -0.070 0.000 1.129 888 L CA -0.218 54.594 54.840 -0.046 0.000 0.839 888 L CB 0.835 42.987 42.059 0.156 0.000 1.133 888 L HN 0.822 nan 8.230 nan 0.000 0.453 889 A N 2.745 125.539 122.820 -0.043 0.000 2.067 889 A HA -0.111 4.226 4.320 0.028 0.000 0.219 889 A C 1.108 178.685 177.584 -0.011 0.000 1.158 889 A CA 0.841 52.844 52.037 -0.056 0.000 0.661 889 A CB -0.228 18.732 19.000 -0.065 0.000 0.801 889 A HN 0.822 nan 8.150 nan 0.000 0.452 890 Q N -0.534 119.298 119.800 0.054 0.000 2.260 890 Q HA 0.512 4.869 4.340 0.028 0.000 0.238 890 Q C -1.558 174.488 176.000 0.077 0.000 0.948 890 Q CA -0.287 55.539 55.803 0.037 0.000 0.895 890 Q CB 1.267 30.012 28.738 0.012 0.000 1.218 890 Q HN 0.121 nan 8.270 nan 0.000 0.470 891 V N 2.567 122.487 119.914 0.010 0.000 2.445 891 V HA 0.564 4.700 4.120 0.028 0.000 0.283 891 V C -0.689 175.377 176.094 -0.048 0.000 1.014 891 V CA -0.511 61.822 62.300 0.055 0.000 0.852 891 V CB 1.018 32.857 31.823 0.027 0.000 1.021 891 V HN 0.860 nan 8.190 nan 0.000 0.435 892 A N 3.248 125.974 122.820 -0.156 0.000 2.269 892 A HA 0.755 5.091 4.320 0.028 0.000 0.327 892 A C 0.711 178.293 177.584 -0.003 0.000 1.112 892 A CA -0.425 51.471 52.037 -0.236 0.000 0.865 892 A CB 1.041 19.665 19.000 -0.627 0.000 1.227 892 A HN 0.777 nan 8.150 nan 0.000 0.498 893 E N -0.253 119.946 120.200 -0.003 0.000 2.250 893 E HA 0.021 4.387 4.350 0.028 0.000 0.192 893 E C 0.039 176.706 176.600 0.111 0.000 0.986 893 E CA 0.439 56.874 56.400 0.057 0.000 0.849 893 E CB 0.208 29.924 29.700 0.027 0.000 0.797 893 E HN 0.399 nan 8.360 nan 0.000 0.482 894 R N 0.506 121.078 120.500 0.119 0.000 2.854 894 R HA 0.552 4.909 4.340 0.028 0.000 0.271 894 R C -0.719 175.760 176.300 0.298 0.000 0.996 894 R CA -0.886 55.319 56.100 0.175 0.000 0.961 894 R CB 1.873 32.243 30.300 0.118 0.000 1.182 894 R HN -0.178 nan 8.270 nan 0.000 0.479 895 V N 1.883 121.989 119.914 0.321 0.000 2.525 895 V HA 0.357 4.494 4.120 0.028 0.000 0.299 895 V C -0.434 175.933 176.094 0.456 0.000 1.034 895 V CA -0.930 61.604 62.300 0.390 0.000 0.863 895 V CB 1.987 33.986 31.823 0.294 0.000 0.999 895 V HN 0.653 nan 8.190 nan 0.000 0.423 896 N N 4.348 123.294 118.700 0.410 0.000 2.314 896 N HA 0.584 5.341 4.740 0.028 0.000 0.294 896 N C -1.459 174.314 175.510 0.439 0.000 1.029 896 N CA -0.401 52.861 53.050 0.352 0.000 0.845 896 N CB 2.781 41.367 38.487 0.164 0.000 1.321 896 N HN 0.816 nan 8.380 nan 0.000 0.481 897 W N 3.224 124.554 121.300 0.051 0.000 3.248 897 W HA 0.537 5.214 4.660 0.027 0.000 0.311 897 W C -2.206 174.274 176.519 -0.065 0.000 1.258 897 W CA -1.063 56.285 57.345 0.006 0.000 1.191 897 W CB 0.571 30.052 29.460 0.036 0.000 1.389 897 W HN 0.224 nan 8.180 nan 0.000 0.561 898 L N 4.469 125.669 121.223 -0.038 0.000 2.276 898 L HA 0.923 5.279 4.340 0.028 0.000 0.286 898 L C 0.107 176.790 176.870 -0.313 0.000 1.024 898 L CA 0.578 55.204 54.840 -0.357 0.000 0.826 898 L CB 0.618 42.551 42.059 -0.211 0.000 1.211 898 L HN 1.042 nan 8.230 nan 0.000 0.422 899 G N 3.874 112.309 108.800 -0.608 0.000 2.360 899 G HA2 0.178 4.155 3.960 0.028 0.000 0.276 899 G HA3 0.178 4.155 3.960 0.028 0.000 0.276 899 G C -1.618 173.230 174.900 -0.087 0.000 1.256 899 G CA -1.009 43.925 45.100 -0.277 0.000 0.890 899 G HN 0.450 nan 8.290 nan 0.000 0.486 900 L N 1.248 122.599 121.223 0.213 0.000 2.331 900 L HA 0.628 4.985 4.340 0.028 0.000 0.278 900 L C 1.046 178.024 176.870 0.180 0.000 1.106 900 L CA 0.659 55.606 54.840 0.178 0.000 0.824 900 L CB 0.651 42.779 42.059 0.115 0.000 1.142 900 L HN 1.185 nan 8.230 nan 0.000 0.443 901 G N 2.888 111.591 108.800 -0.160 0.000 2.428 901 G HA2 0.244 4.221 3.960 0.028 0.000 0.305 901 G HA3 0.244 4.221 3.960 0.028 0.000 0.305 901 G C -2.705 171.398 174.900 -1.329 0.000 1.260 901 G CA -0.228 44.447 45.100 -0.709 0.000 0.853 901 G HN 0.326 nan 8.290 nan 0.000 0.480 902 P HA 0.052 nan 4.420 nan 0.000 0.227 902 P C 0.419 177.514 177.300 -0.341 0.000 1.161 902 P CA 0.672 63.109 63.100 -1.105 0.000 0.788 902 P CB 0.491 31.629 31.700 -0.937 0.000 0.822 903 Q N 0.574 120.171 119.800 -0.338 0.000 2.317 903 Q HA 0.142 4.499 4.340 0.028 0.000 0.229 903 Q C 0.431 176.326 176.000 -0.175 0.000 0.984 903 Q CA -0.562 55.126 55.803 -0.193 0.000 0.911 903 Q CB 0.720 29.363 28.738 -0.158 0.000 1.217 903 Q HN 0.151 nan 8.270 nan 0.000 0.501 904 E N 1.468 121.574 120.200 -0.157 0.000 2.502 904 E HA -0.109 4.258 4.350 0.028 0.000 0.261 904 E C -1.161 175.356 176.600 -0.138 0.000 0.974 904 E CA 0.270 56.562 56.400 -0.180 0.000 0.936 904 E CB 0.253 29.907 29.700 -0.076 0.000 0.926 904 E HN 0.610 nan 8.360 nan 0.000 0.459 905 N N 2.747 121.290 118.700 -0.262 0.000 2.371 905 N HA 0.264 5.020 4.740 0.028 0.000 0.280 905 N C -1.896 173.382 175.510 -0.386 0.000 1.084 905 N CA -0.670 52.276 53.050 -0.174 0.000 0.892 905 N CB 0.639 39.050 38.487 -0.126 0.000 1.653 905 N HN 0.228 nan 8.380 nan 0.000 0.480 906 Y N 0.778 120.982 120.300 -0.160 0.000 2.602 906 Y HA 0.503 5.070 4.550 0.028 0.000 0.330 906 Y C -1.494 174.320 175.900 -0.144 0.000 1.114 906 Y CA -2.055 55.932 58.100 -0.189 0.000 1.182 906 Y CB 1.444 39.783 38.460 -0.202 0.000 1.305 906 Y HN 0.444 nan 8.280 nan 0.000 0.502 907 P HA -0.219 nan 4.420 nan 0.000 0.217 907 P C 0.337 177.478 177.300 -0.265 0.000 1.158 907 P CA 2.332 65.451 63.100 0.032 0.000 0.887 907 P CB 0.152 31.971 31.700 0.198 0.000 0.792 908 D N -2.397 117.615 120.400 -0.645 0.000 2.336 908 D HA 0.016 4.673 4.640 0.028 0.000 0.228 908 D C 0.629 176.755 176.300 -0.289 0.000 1.120 908 D CA 0.103 53.524 54.000 -0.965 0.000 0.839 908 D CB -0.357 39.709 40.800 -1.224 0.000 0.932 908 D HN 0.132 nan 8.370 nan 0.000 0.509 909 R N 0.970 121.405 120.500 -0.108 0.000 2.672 909 R HA 0.158 4.514 4.340 0.028 0.000 0.228 909 R C -0.699 175.625 176.300 0.041 0.000 1.501 909 R CA -0.122 55.986 56.100 0.013 0.000 1.514 909 R CB 0.046 30.361 30.300 0.024 0.000 1.489 909 R HN 0.112 nan 8.270 nan 0.000 0.747 910 L N -1.987 119.268 121.223 0.053 0.000 3.386 910 L HA 0.340 4.696 4.340 0.028 0.000 0.307 910 L C 1.393 178.317 176.870 0.090 0.000 1.235 910 L CA 0.184 55.056 54.840 0.053 0.000 1.056 910 L CB 0.103 42.185 42.059 0.039 0.000 1.453 910 L HN 0.087 nan 8.230 nan 0.000 0.615 911 T N -2.399 112.235 114.554 0.132 0.000 2.833 911 T HA -0.040 4.327 4.350 0.028 0.000 0.269 911 T C 1.835 176.564 174.700 0.049 0.000 1.054 911 T CA 1.417 63.618 62.100 0.169 0.000 1.135 911 T CB -0.393 68.638 68.868 0.271 0.000 0.869 911 T HN 0.387 nan 8.240 nan 0.000 0.466 912 A N 1.886 124.735 122.820 0.048 0.000 2.014 912 A HA 0.590 4.927 4.320 0.028 0.000 0.218 912 A C 1.695 179.336 177.584 0.095 0.000 1.163 912 A CA 0.682 52.707 52.037 -0.021 0.000 0.652 912 A CB -1.086 18.043 19.000 0.216 0.000 0.808 912 A HN 0.877 nan 8.150 nan 0.000 0.449 913 A N -1.197 121.639 122.820 0.026 0.000 2.425 913 A HA 0.432 4.769 4.320 0.028 0.000 0.242 913 A C 0.055 177.656 177.584 0.028 0.000 1.077 913 A CA 0.053 52.070 52.037 -0.033 0.000 0.781 913 A CB -0.149 18.826 19.000 -0.040 0.000 1.020 913 A HN 0.525 nan 8.150 nan 0.000 0.494 914 C N 0.370 119.683 119.300 0.021 0.000 2.561 914 C HA 0.545 5.021 4.460 0.028 0.000 0.319 914 C C -0.183 174.897 174.990 0.149 0.000 1.198 914 C CA -0.512 58.576 59.018 0.116 0.000 1.665 914 C CB 0.846 28.673 27.740 0.146 0.000 2.258 914 C HN 0.787 nan 8.230 nan 0.000 0.493 915 F N 3.595 123.392 119.950 -0.256 0.000 2.445 915 F HA 0.500 5.043 4.527 0.028 0.000 0.359 915 F C 0.333 175.786 175.800 -0.578 0.000 1.101 915 F CA 1.219 58.889 58.000 -0.551 0.000 1.177 915 F CB -0.003 38.093 39.000 -1.506 0.000 1.110 915 F HN 0.635 nan 8.300 nan 0.000 0.522 916 D N 3.167 122.969 120.400 -0.996 0.000 2.879 916 D HA 0.178 4.834 4.640 0.028 0.000 0.346 916 D C -1.709 173.754 176.300 -1.395 0.000 1.390 916 D CA -0.714 52.615 54.000 -1.118 0.000 0.838 916 D CB 1.334 41.394 40.800 -1.233 0.000 1.416 916 D HN 0.440 nan 8.370 nan 0.000 0.493 917 R N 0.705 120.460 120.500 -1.241 0.000 2.207 917 R HA 0.534 4.890 4.340 0.028 0.000 0.334 917 R C -1.420 174.150 176.300 -1.218 0.000 1.013 917 R CA -0.160 55.357 56.100 -0.971 0.000 0.858 917 R CB 0.128 30.088 30.300 -0.567 0.000 1.094 917 R HN 0.299 nan 8.270 nan 0.000 0.457 918 W N 2.739 123.527 121.300 -0.852 0.000 2.689 918 W HA 0.424 5.100 4.660 0.028 0.000 0.340 918 W C -0.470 175.675 176.519 -0.622 0.000 1.060 918 W CA -0.703 56.089 57.345 -0.922 0.000 1.218 918 W CB 1.832 30.295 29.460 -1.662 0.000 1.410 918 W HN 0.380 nan 8.180 nan 0.000 0.528 919 D N 2.982 123.355 120.400 -0.046 0.000 2.736 919 D HA 0.478 5.134 4.640 0.028 0.000 0.243 919 D C -1.492 174.913 176.300 0.176 0.000 1.304 919 D CA -0.159 53.903 54.000 0.102 0.000 0.934 919 D CB 1.145 41.966 40.800 0.034 0.000 1.382 919 D HN 0.385 nan 8.370 nan 0.000 0.571 920 L N 3.412 124.809 121.223 0.290 0.000 2.376 920 L HA 0.568 4.924 4.340 0.028 0.000 0.258 920 L C -2.280 174.709 176.870 0.198 0.000 1.013 920 L CA -2.018 52.961 54.840 0.231 0.000 0.822 920 L CB 2.839 45.065 42.059 0.278 0.000 1.388 920 L HN 0.182 nan 8.230 nan 0.000 0.413 921 P HA 0.007 nan 4.420 nan 0.000 0.272 921 P C 0.580 177.960 177.300 0.133 0.000 1.223 921 P CA -0.409 62.764 63.100 0.121 0.000 0.784 921 P CB 1.232 32.983 31.700 0.085 0.000 0.923 922 L N 3.308 124.615 121.223 0.139 0.000 2.081 922 L HA -0.246 4.111 4.340 0.028 0.000 0.212 922 L C 2.463 179.388 176.870 0.091 0.000 1.080 922 L CA 2.786 57.702 54.840 0.126 0.000 0.754 922 L CB -1.562 40.585 42.059 0.146 0.000 0.893 922 L HN 0.502 nan 8.230 nan 0.000 0.433 923 S N -1.534 114.222 115.700 0.093 0.000 2.383 923 S HA -0.208 4.279 4.470 0.028 0.000 0.229 923 S C 1.665 176.340 174.600 0.124 0.000 1.030 923 S CA 1.245 59.516 58.200 0.118 0.000 1.002 923 S CB -0.888 62.373 63.200 0.101 0.000 0.829 923 S HN 0.542 nan 8.310 nan 0.000 0.467 924 D N 1.203 121.652 120.400 0.082 0.000 2.350 924 D HA 0.049 4.706 4.640 0.028 0.000 0.216 924 D C 1.163 177.475 176.300 0.020 0.000 0.968 924 D CA 0.639 54.666 54.000 0.046 0.000 0.894 924 D CB -0.192 40.640 40.800 0.053 0.000 0.909 924 D HN 0.390 nan 8.370 nan 0.000 0.520 925 M N -0.393 119.229 119.600 0.037 0.000 2.568 925 M HA 0.054 4.550 4.480 0.028 0.000 0.226 925 M C -0.131 176.182 176.300 0.022 0.000 1.148 925 M CA -0.055 55.222 55.300 -0.037 0.000 1.007 925 M CB -0.892 31.672 32.600 -0.059 0.000 1.651 925 M HN -0.049 nan 8.290 nan 0.000 0.488 926 Y N -0.234 120.036 120.300 -0.050 0.000 2.361 926 Y HA 0.484 5.051 4.550 0.028 0.000 0.337 926 Y C -0.813 175.066 175.900 -0.036 0.000 0.965 926 Y CA -1.088 57.006 58.100 -0.010 0.000 1.091 926 Y CB 1.285 39.795 38.460 0.082 0.000 1.182 926 Y HN -0.126 nan 8.280 nan 0.000 0.450 927 T N 9.245 123.409 114.554 -0.649 0.000 2.733 927 T HA 0.262 4.628 4.350 0.028 0.000 0.294 927 T C -2.572 171.468 174.700 -1.100 0.000 0.956 927 T CA -1.438 60.212 62.100 -0.749 0.000 0.987 927 T CB 0.946 69.450 68.868 -0.607 0.000 0.920 927 T HN 0.469 nan 8.240 nan 0.000 0.470 928 P HA 0.054 nan 4.420 nan 0.000 0.232 928 P C -0.677 176.603 177.300 -0.033 0.000 1.738 928 P CA -0.375 62.405 63.100 -0.532 0.000 0.948 928 P CB -0.596 30.874 31.700 -0.383 0.000 1.943 929 Y N -0.171 120.194 120.300 0.109 0.000 2.610 929 Y HA -0.091 4.476 4.550 0.028 0.000 0.332 929 Y C 2.253 178.296 175.900 0.238 0.000 1.201 929 Y CA 0.016 58.253 58.100 0.228 0.000 1.465 929 Y CB 0.186 38.674 38.460 0.046 0.000 1.283 929 Y HN -0.090 nan 8.280 nan 0.000 0.563 930 V N 3.260 123.473 119.914 0.499 0.000 2.332 930 V HA -0.297 3.840 4.120 0.028 0.000 0.248 930 V C 0.658 176.973 176.094 0.368 0.000 1.055 930 V CA 1.446 63.997 62.300 0.420 0.000 1.038 930 V CB -0.605 31.490 31.823 0.454 0.000 0.651 930 V HN 0.596 nan 8.190 nan 0.000 0.450 931 F N 2.934 122.986 119.950 0.169 0.000 2.350 931 F HA 0.495 5.038 4.527 0.028 0.000 0.365 931 F C -2.340 173.508 175.800 0.080 0.000 1.122 931 F CA -3.729 54.308 58.000 0.061 0.000 1.139 931 F CB 0.501 39.443 39.000 -0.096 0.000 1.220 931 F HN 0.014 nan 8.300 nan 0.000 0.499 932 P HA 0.183 nan 4.420 nan 0.000 0.266 932 P C -0.904 176.139 177.300 -0.429 0.000 1.193 932 P CA 0.352 63.265 63.100 -0.311 0.000 0.770 932 P CB 0.880 32.402 31.700 -0.296 0.000 0.836 933 S N -0.140 115.476 115.700 -0.141 0.000 2.669 933 S HA 0.374 4.861 4.470 0.028 0.000 0.266 933 S C -0.964 173.642 174.600 0.009 0.000 1.149 933 S CA -1.013 57.131 58.200 -0.094 0.000 0.842 933 S CB 0.227 63.382 63.200 -0.075 0.000 1.160 933 S HN 0.345 nan 8.310 nan 0.000 0.487 934 E N 1.309 121.517 120.200 0.013 0.000 2.481 934 E HA 0.418 4.785 4.350 0.028 0.000 0.263 934 E C -0.129 176.537 176.600 0.111 0.000 0.992 934 E CA 0.961 57.397 56.400 0.061 0.000 0.938 934 E CB -0.163 29.586 29.700 0.081 0.000 0.933 934 E HN 0.849 nan 8.360 nan 0.000 0.453 935 N N 1.175 119.982 118.700 0.178 0.000 3.227 935 N HA 0.445 5.201 4.740 0.028 0.000 0.241 935 N C 0.235 175.817 175.510 0.120 0.000 1.480 935 N CA -0.495 52.705 53.050 0.251 0.000 0.886 935 N CB 0.575 39.226 38.487 0.272 0.000 1.406 935 N HN 0.728 nan 8.380 nan 0.000 0.514 936 G N -1.420 107.406 108.800 0.044 0.000 2.189 936 G HA2 -0.277 3.700 3.960 0.028 0.000 0.267 936 G HA3 -0.277 3.700 3.960 0.028 0.000 0.267 936 G C -0.117 174.526 174.900 -0.428 0.000 0.975 936 G CA 0.527 45.530 45.100 -0.162 0.000 0.644 936 G HN 0.755 nan 8.290 nan 0.000 0.537 937 L N 0.049 120.950 121.223 -0.537 0.000 2.499 937 L HA 0.640 4.997 4.340 0.028 0.000 0.281 937 L C 0.637 176.943 176.870 -0.941 0.000 1.234 937 L CA 0.550 54.839 54.840 -0.919 0.000 0.839 937 L CB 0.528 41.755 42.059 -1.387 0.000 1.104 937 L HN 0.277 nan 8.230 nan 0.000 0.500 938 R N 2.294 122.187 120.500 -1.010 0.000 2.538 938 R HA 0.497 4.854 4.340 0.028 0.000 0.292 938 R C -1.123 174.890 176.300 -0.479 0.000 1.008 938 R CA -0.279 55.375 56.100 -0.743 0.000 0.896 938 R CB 1.374 31.081 30.300 -0.988 0.000 1.187 938 R HN 0.740 nan 8.270 nan 0.000 0.440 939 C N 0.308 119.453 119.300 -0.258 0.000 2.380 939 C HA 0.752 5.229 4.460 0.028 0.000 0.393 939 C C 1.308 176.308 174.990 0.015 0.000 1.284 939 C CA -0.070 58.873 59.018 -0.124 0.000 2.033 939 C CB 1.337 29.010 27.740 -0.111 0.000 2.165 939 C HN 1.027 nan 8.230 nan 0.000 0.540 940 G N 1.593 110.411 108.800 0.030 0.000 2.341 940 G HA2 -0.190 3.786 3.960 0.028 0.000 0.292 940 G HA3 -0.190 3.786 3.960 0.028 0.000 0.292 940 G C -0.054 174.921 174.900 0.125 0.000 1.021 940 G CA 0.580 45.744 45.100 0.106 0.000 0.905 940 G HN 0.818 nan 8.290 nan 0.000 0.508 941 T N 0.166 114.683 114.554 -0.062 0.000 2.771 941 T HA 0.491 4.858 4.350 0.028 0.000 0.291 941 T C 1.360 175.735 174.700 -0.542 0.000 0.954 941 T CA -0.567 61.428 62.100 -0.175 0.000 1.045 941 T CB 1.333 70.140 68.868 -0.102 0.000 0.917 941 T HN 0.228 nan 8.240 nan 0.000 0.484 942 R N 1.621 122.009 120.500 -0.188 0.000 2.282 942 R HA 0.283 4.639 4.340 0.028 0.000 0.195 942 R C 0.569 176.837 176.300 -0.054 0.000 0.909 942 R CA 0.205 56.237 56.100 -0.114 0.000 1.039 942 R CB 0.344 30.729 30.300 0.141 0.000 1.015 942 R HN 0.705 nan 8.270 nan 0.000 0.513 943 E N 0.505 120.699 120.200 -0.009 0.000 2.335 943 E HA 0.336 4.702 4.350 0.028 0.000 0.280 943 E C -1.851 174.875 176.600 0.210 0.000 0.918 943 E CA -0.707 55.782 56.400 0.148 0.000 0.765 943 E CB 1.535 31.302 29.700 0.112 0.000 1.218 943 E HN -0.087 nan 8.360 nan 0.000 0.425 944 L N 4.054 125.464 121.223 0.312 0.000 2.409 944 L HA 0.583 4.940 4.340 0.028 0.000 0.272 944 L C -1.917 175.136 176.870 0.306 0.000 0.980 944 L CA -0.428 54.546 54.840 0.223 0.000 0.826 944 L CB 1.748 43.808 42.059 0.002 0.000 1.268 944 L HN 0.474 nan 8.230 nan 0.000 0.407 945 N N 4.536 123.388 118.700 0.253 0.000 2.372 945 N HA 0.394 5.151 4.740 0.028 0.000 0.285 945 N C -1.956 173.760 175.510 0.343 0.000 1.008 945 N CA -0.234 52.952 53.050 0.228 0.000 0.880 945 N CB 2.103 40.673 38.487 0.138 0.000 1.239 945 N HN 0.602 nan 8.380 nan 0.000 0.484 946 Y N 1.334 121.744 120.300 0.183 0.000 2.307 946 Y HA 0.404 4.971 4.550 0.028 0.000 0.323 946 Y C 0.720 176.677 175.900 0.096 0.000 1.100 946 Y CA 0.050 58.265 58.100 0.192 0.000 1.140 946 Y CB 0.618 39.278 38.460 0.333 0.000 1.159 946 Y HN 0.847 nan 8.280 nan 0.000 0.436 947 G N 6.643 115.228 108.800 -0.358 0.000 2.591 947 G HA2 -0.310 3.667 3.960 0.028 0.000 0.298 947 G HA3 -0.310 3.667 3.960 0.028 0.000 0.298 947 G C -1.596 173.149 174.900 -0.258 0.000 1.195 947 G CA 0.235 45.114 45.100 -0.369 0.000 0.989 947 G HN 0.595 nan 8.290 nan 0.000 0.551 948 P HA 0.154 nan 4.420 nan 0.000 0.251 948 P C 0.158 177.260 177.300 -0.331 0.000 1.223 948 P CA 0.660 63.556 63.100 -0.340 0.000 0.796 948 P CB 0.075 31.545 31.700 -0.384 0.000 1.068 949 H N 0.540 119.534 119.070 -0.127 0.000 2.505 949 H HA 0.488 5.060 4.556 0.028 0.000 0.351 949 H C -0.002 175.016 175.328 -0.517 0.000 1.151 949 H CA 0.103 55.931 56.048 -0.366 0.000 1.339 949 H CB 1.309 30.672 29.762 -0.665 0.000 1.483 949 H HN 0.097 nan 8.280 nan 0.000 0.558 950 Q N 1.880 121.338 119.800 -0.571 0.000 2.268 950 Q HA 0.219 4.575 4.340 0.028 0.000 0.266 950 Q C -1.741 173.959 176.000 -0.501 0.000 1.006 950 Q CA -0.649 54.944 55.803 -0.351 0.000 0.824 950 Q CB 2.018 30.707 28.738 -0.081 0.000 1.306 950 Q HN 0.573 nan 8.270 nan 0.000 0.424 951 W N 4.125 125.405 121.300 -0.034 0.000 2.587 951 W HA 0.570 5.247 4.660 0.028 0.000 0.324 951 W C -0.124 176.524 176.519 0.214 0.000 1.040 951 W CA -0.638 56.681 57.345 -0.043 0.000 1.222 951 W CB 1.905 31.156 29.460 -0.348 0.000 1.381 951 W HN 0.529 nan 8.180 nan 0.000 0.483 952 R N 0.625 121.384 120.500 0.432 0.000 2.854 952 R HA 0.808 5.165 4.340 0.028 0.000 0.271 952 R C 0.268 176.835 176.300 0.443 0.000 0.996 952 R CA -0.435 55.900 56.100 0.391 0.000 0.961 952 R CB 2.318 32.754 30.300 0.228 0.000 1.182 952 R HN 0.739 nan 8.270 nan 0.000 0.479 953 G N 0.644 109.622 108.800 0.298 0.000 2.384 953 G HA2 -0.075 3.901 3.960 0.028 0.000 0.113 953 G HA3 -0.075 3.901 3.960 0.028 0.000 0.113 953 G C -1.752 173.195 174.900 0.078 0.000 1.224 953 G CA -0.375 44.879 45.100 0.256 0.000 1.126 953 G HN 0.523 nan 8.290 nan 0.000 0.461 954 D N 0.095 120.543 120.400 0.080 0.000 2.381 954 D HA 0.603 5.259 4.640 0.028 0.000 0.245 954 D C -0.624 175.644 176.300 -0.054 0.000 1.297 954 D CA -0.421 53.538 54.000 -0.068 0.000 0.931 954 D CB 0.175 40.991 40.800 0.025 0.000 1.334 954 D HN 0.652 nan 8.370 nan 0.000 0.535 955 F N -0.106 119.836 119.950 -0.014 0.000 2.726 955 F HA 0.745 5.288 4.527 0.028 0.000 0.324 955 F C -1.099 174.659 175.800 -0.069 0.000 1.140 955 F CA -1.016 56.916 58.000 -0.114 0.000 0.964 955 F CB 0.736 39.662 39.000 -0.124 0.000 1.399 955 F HN -0.136 nan 8.300 nan 0.000 0.491 956 Q N 1.554 121.483 119.800 0.214 0.000 2.348 956 Q HA 0.670 5.027 4.340 0.028 0.000 0.271 956 Q C -1.259 174.823 176.000 0.136 0.000 1.067 956 Q CA -0.514 55.323 55.803 0.056 0.000 0.839 956 Q CB 2.702 31.353 28.738 -0.146 0.000 1.354 956 Q HN 0.866 nan 8.270 nan 0.000 0.447 957 F N -1.155 118.684 119.950 -0.185 0.000 2.713 957 F HA 0.741 5.285 4.527 0.028 0.000 0.311 957 F C -1.771 173.812 175.800 -0.363 0.000 1.141 957 F CA -1.093 56.735 58.000 -0.287 0.000 0.939 957 F CB 1.474 40.297 39.000 -0.295 0.000 1.325 957 F HN 0.587 nan 8.300 nan 0.000 0.453 958 N N 1.697 120.176 118.700 -0.367 0.000 2.396 958 N HA 0.725 5.481 4.740 0.028 0.000 0.275 958 N C -2.165 173.258 175.510 -0.144 0.000 1.218 958 N CA -0.709 52.099 53.050 -0.403 0.000 0.812 958 N CB 2.591 40.892 38.487 -0.309 0.000 1.592 958 N HN 1.148 nan 8.380 nan 0.000 0.480 959 I N 0.417 120.904 120.570 -0.138 0.000 2.644 959 I HA 0.736 4.922 4.170 0.028 0.000 0.291 959 I C -1.370 174.663 176.117 -0.139 0.000 1.180 959 I CA -0.011 61.191 61.300 -0.164 0.000 1.040 959 I CB 1.509 39.342 38.000 -0.277 0.000 1.255 959 I HN 1.084 nan 8.210 nan 0.000 0.422 960 S N 6.121 121.747 115.700 -0.123 0.000 2.671 960 S HA 0.499 4.985 4.470 0.028 0.000 0.270 960 S C -0.421 174.060 174.600 -0.199 0.000 1.166 960 S CA -0.967 57.143 58.200 -0.150 0.000 0.868 960 S CB 1.404 64.553 63.200 -0.086 0.000 1.190 960 S HN 0.632 nan 8.310 nan 0.000 0.494 961 R N -0.087 120.119 120.500 -0.491 0.000 2.388 961 R HA 0.285 4.641 4.340 0.028 0.000 0.247 961 R C -1.079 174.832 176.300 -0.648 0.000 0.931 961 R CA 0.245 56.021 56.100 -0.541 0.000 1.082 961 R CB -0.962 28.927 30.300 -0.686 0.000 1.135 961 R HN 0.622 nan 8.270 nan 0.000 0.525 962 Y N 0.214 120.461 120.300 -0.088 0.000 2.326 962 Y HA 0.229 4.795 4.550 0.028 0.000 0.329 962 Y C 0.583 176.288 175.900 -0.324 0.000 0.973 962 Y CA -1.589 56.381 58.100 -0.216 0.000 1.162 962 Y CB 1.276 39.556 38.460 -0.301 0.000 1.147 962 Y HN -0.081 nan 8.280 nan 0.000 0.456 963 S N 2.003 117.391 115.700 -0.519 0.000 2.579 963 S HA 0.042 4.528 4.470 0.028 0.000 0.275 963 S C 1.009 175.273 174.600 -0.561 0.000 1.345 963 S CA -0.656 56.862 58.200 -1.138 0.000 1.031 963 S CB 1.108 63.325 63.200 -1.638 0.000 0.892 963 S HN 0.685 nan 8.310 nan 0.000 0.529 964 Q N 0.958 120.449 119.800 -0.515 0.000 2.181 964 Q HA -0.214 4.143 4.340 0.028 0.000 0.205 964 Q C 2.138 177.998 176.000 -0.233 0.000 0.980 964 Q CA 1.858 57.494 55.803 -0.278 0.000 0.862 964 Q CB -0.489 28.113 28.738 -0.227 0.000 0.905 964 Q HN 0.966 nan 8.270 nan 0.000 0.429 965 Q N 0.435 120.055 119.800 -0.299 0.000 2.046 965 Q HA -0.203 4.153 4.340 0.028 0.000 0.200 965 Q C 2.130 178.032 176.000 -0.163 0.000 0.975 965 Q CA 1.467 57.154 55.803 -0.194 0.000 0.836 965 Q CB 0.059 28.684 28.738 -0.190 0.000 0.896 965 Q HN 0.428 nan 8.270 nan 0.000 0.428 966 Q N 0.068 119.749 119.800 -0.197 0.000 2.046 966 Q HA -0.159 4.198 4.340 0.028 0.000 0.200 966 Q C 2.205 178.107 176.000 -0.164 0.000 0.975 966 Q CA 1.161 56.874 55.803 -0.150 0.000 0.836 966 Q CB -0.086 28.547 28.738 -0.175 0.000 0.896 966 Q HN 0.456 nan 8.270 nan 0.000 0.428 967 L N 0.351 121.464 121.223 -0.183 0.000 2.013 967 L HA -0.245 4.112 4.340 0.028 0.000 0.212 967 L C 2.769 179.519 176.870 -0.201 0.000 1.073 967 L CA 1.540 56.266 54.840 -0.190 0.000 0.753 967 L CB -0.465 41.511 42.059 -0.138 0.000 0.890 967 L HN 0.445 nan 8.230 nan 0.000 0.432 968 M N -0.401 119.107 119.600 -0.154 0.000 2.279 968 M HA -0.198 4.299 4.480 0.028 0.000 0.264 968 M C 1.462 177.693 176.300 -0.114 0.000 1.062 968 M CA 1.750 56.972 55.300 -0.130 0.000 1.099 968 M CB 0.047 32.583 32.600 -0.107 0.000 1.394 968 M HN 0.246 nan 8.290 nan 0.000 0.426 969 E N -0.788 119.349 120.200 -0.104 0.000 2.481 969 E HA 0.089 4.456 4.350 0.028 0.000 0.198 969 E C -0.323 176.244 176.600 -0.054 0.000 1.027 969 E CA -0.015 56.348 56.400 -0.062 0.000 0.900 969 E CB 0.569 30.242 29.700 -0.046 0.000 0.993 969 E HN 0.308 nan 8.360 nan 0.000 0.482 970 T N 0.636 115.128 114.554 -0.103 0.000 2.771 970 T HA 0.099 4.466 4.350 0.028 0.000 0.281 970 T C 1.159 175.799 174.700 -0.100 0.000 0.982 970 T CA -0.421 61.623 62.100 -0.094 0.000 0.978 970 T CB 1.665 70.450 68.868 -0.139 0.000 0.930 970 T HN 0.047 nan 8.240 nan 0.000 0.447 971 S N 2.064 117.800 115.700 0.060 0.000 2.446 971 S HA 0.039 4.525 4.470 0.028 0.000 0.225 971 S C 0.332 175.060 174.600 0.214 0.000 1.016 971 S CA 0.384 58.723 58.200 0.232 0.000 0.943 971 S CB -0.250 63.215 63.200 0.442 0.000 0.786 971 S HN 0.739 nan 8.310 nan 0.000 0.508 972 H N 0.587 119.691 119.070 0.057 0.000 2.637 972 H HA 0.540 5.113 4.556 0.028 0.000 0.363 972 H C 1.034 176.355 175.328 -0.011 0.000 1.131 972 H CA -0.727 55.400 56.048 0.132 0.000 1.183 972 H CB 1.501 31.343 29.762 0.132 0.000 1.637 972 H HN 0.166 nan 8.280 nan 0.000 0.531 973 R N 1.693 122.323 120.500 0.217 0.000 2.127 973 R HA -0.163 4.193 4.340 0.028 0.000 0.238 973 R C 1.158 177.490 176.300 0.053 0.000 1.134 973 R CA 1.849 58.011 56.100 0.103 0.000 0.975 973 R CB -0.423 29.987 30.300 0.183 0.000 0.865 973 R HN 0.787 nan 8.270 nan 0.000 0.447 974 H N 0.754 119.852 119.070 0.045 0.000 2.559 974 H HA 0.052 4.625 4.556 0.028 0.000 0.273 974 H C 1.327 176.595 175.328 -0.101 0.000 1.000 974 H CA 0.627 56.663 56.048 -0.020 0.000 1.195 974 H CB -0.033 29.719 29.762 -0.017 0.000 1.368 974 H HN 0.316 nan 8.280 nan 0.000 0.592 975 L N 0.973 121.823 121.223 -0.622 0.000 2.607 975 L HA 0.238 4.595 4.340 0.028 0.000 0.228 975 L C 0.527 177.275 176.870 -0.204 0.000 1.123 975 L CA -0.149 54.398 54.840 -0.487 0.000 0.890 975 L CB 0.256 41.998 42.059 -0.529 0.000 1.103 975 L HN 0.068 nan 8.230 nan 0.000 0.468 976 L N 0.837 121.940 121.223 -0.199 0.000 2.417 976 L HA 0.184 4.541 4.340 0.028 0.000 0.268 976 L C 0.039 176.907 176.870 -0.003 0.000 1.158 976 L CA -0.233 54.477 54.840 -0.216 0.000 0.819 976 L CB 0.492 42.190 42.059 -0.601 0.000 1.112 976 L HN 0.189 nan 8.230 nan 0.000 0.458 977 H N 1.657 120.758 119.070 0.052 0.000 2.600 977 H HA 0.548 5.120 4.556 0.028 0.000 0.357 977 H C -0.793 174.674 175.328 0.233 0.000 1.106 977 H CA -1.238 54.883 56.048 0.122 0.000 1.193 977 H CB 1.359 31.146 29.762 0.041 0.000 1.594 977 H HN 0.660 nan 8.280 nan 0.000 0.526 978 A N 3.840 126.754 122.820 0.156 0.000 2.522 978 A HA 0.079 4.416 4.320 0.028 0.000 0.256 978 A C 0.417 177.993 177.584 -0.013 0.000 1.086 978 A CA -0.130 51.855 52.037 -0.085 0.000 0.763 978 A CB -0.247 18.700 19.000 -0.089 0.000 1.024 978 A HN 0.830 nan 8.150 nan 0.000 0.502 979 E N 1.226 121.382 120.200 -0.074 0.000 2.345 979 E HA 0.169 4.535 4.350 0.028 0.000 0.259 979 E C 0.129 176.748 176.600 0.032 0.000 1.117 979 E CA -0.511 55.930 56.400 0.069 0.000 0.913 979 E CB 0.759 30.577 29.700 0.197 0.000 1.057 979 E HN 0.806 nan 8.360 nan 0.000 0.432 980 E N 0.466 120.693 120.200 0.045 0.000 2.413 980 E HA 0.170 4.536 4.350 0.028 0.000 0.263 980 E C 0.407 176.959 176.600 -0.080 0.000 1.015 980 E CA 0.603 56.996 56.400 -0.011 0.000 0.916 980 E CB 0.333 30.029 29.700 -0.007 0.000 0.947 980 E HN 0.667 nan 8.360 nan 0.000 0.440 981 G N 2.924 111.679 108.800 -0.075 0.000 2.601 981 G HA2 -0.238 3.738 3.960 0.028 0.000 0.252 981 G HA3 -0.238 3.738 3.960 0.028 0.000 0.252 981 G C -0.587 174.250 174.900 -0.106 0.000 1.294 981 G CA -0.084 44.958 45.100 -0.097 0.000 0.912 981 G HN 0.660 nan 8.290 nan 0.000 0.574 982 T N 0.148 114.623 114.554 -0.133 0.000 2.879 982 T HA 0.490 4.856 4.350 0.028 0.000 0.290 982 T C -0.824 173.736 174.700 -0.234 0.000 0.993 982 T CA -0.177 61.854 62.100 -0.116 0.000 0.975 982 T CB 1.366 70.248 68.868 0.024 0.000 0.981 982 T HN 0.564 nan 8.240 nan 0.000 0.439 983 W N 3.395 124.601 121.300 -0.158 0.000 2.345 983 W HA 0.573 5.249 4.660 0.028 0.000 0.308 983 W C -0.211 176.172 176.519 -0.227 0.000 1.273 983 W CA -0.632 56.614 57.345 -0.164 0.000 1.243 983 W CB 0.624 29.996 29.460 -0.148 0.000 1.260 983 W HN 0.364 nan 8.180 nan 0.000 0.509 984 L N 5.628 126.824 121.223 -0.044 0.000 2.322 984 L HA 0.521 4.877 4.340 0.028 0.000 0.281 984 L C -0.883 175.871 176.870 -0.193 0.000 1.014 984 L CA -0.447 54.249 54.840 -0.240 0.000 0.815 984 L CB 0.942 42.701 42.059 -0.500 0.000 1.247 984 L HN 0.312 nan 8.230 nan 0.000 0.421 985 N N 6.525 125.091 118.700 -0.224 0.000 2.491 985 N HA 0.464 5.221 4.740 0.028 0.000 0.274 985 N C -1.320 174.020 175.510 -0.282 0.000 1.023 985 N CA -0.189 52.732 53.050 -0.215 0.000 0.902 985 N CB 2.141 40.537 38.487 -0.151 0.000 1.267 985 N HN 0.556 nan 8.380 nan 0.000 0.503 986 I N 1.885 122.232 120.570 -0.371 0.000 2.382 986 I HA 0.245 4.431 4.170 0.028 0.000 0.286 986 I C -0.684 175.209 176.117 -0.373 0.000 1.002 986 I CA -0.645 60.388 61.300 -0.446 0.000 1.135 986 I CB 1.502 39.036 38.000 -0.777 0.000 1.288 986 I HN 0.167 nan 8.210 nan 0.000 0.448 987 D N 4.746 124.965 120.400 -0.302 0.000 2.256 987 D HA 0.265 4.922 4.640 0.028 0.000 0.246 987 D C 0.893 176.878 176.300 -0.525 0.000 1.042 987 D CA -0.314 53.451 54.000 -0.391 0.000 0.841 987 D CB 2.452 43.127 40.800 -0.208 0.000 1.223 987 D HN 0.686 nan 8.370 nan 0.000 0.470 988 G N 0.853 109.046 108.800 -1.011 0.000 2.430 988 G HA2 0.029 4.005 3.960 0.028 0.000 0.216 988 G HA3 0.029 4.005 3.960 0.028 0.000 0.216 988 G C 0.072 174.238 174.900 -1.223 0.000 1.146 988 G CA 0.497 44.887 45.100 -1.183 0.000 0.793 988 G HN 0.357 nan 8.290 nan 0.000 0.537 989 F N -2.179 117.552 119.950 -0.365 0.000 2.613 989 F HA 0.621 5.165 4.527 0.027 0.000 0.310 989 F C -0.565 175.122 175.800 -0.187 0.000 1.085 989 F CA -1.219 56.646 58.000 -0.225 0.000 0.945 989 F CB 2.103 40.894 39.000 -0.347 0.000 1.298 989 F HN 0.019 nan 8.300 nan 0.000 0.455 990 H N 1.506 120.574 119.070 -0.004 0.000 2.947 990 H HA 0.490 5.062 4.556 0.028 0.000 0.354 990 H C -0.848 174.500 175.328 0.033 0.000 1.085 990 H CA -0.841 55.184 56.048 -0.038 0.000 1.253 990 H CB 1.793 31.520 29.762 -0.059 0.000 1.757 990 H HN 0.783 nan 8.280 nan 0.000 0.523 991 M N 3.332 122.930 119.600 -0.003 0.000 2.232 991 M HA 0.281 4.778 4.480 0.028 0.000 0.321 991 M C 0.421 176.839 176.300 0.196 0.000 1.101 991 M CA 0.392 55.733 55.300 0.069 0.000 1.181 991 M CB 0.353 32.903 32.600 -0.084 0.000 1.432 991 M HN 0.824 nan 8.290 nan 0.000 0.457 992 G N 2.477 111.358 108.800 0.134 0.000 2.636 992 G HA2 0.337 4.314 3.960 0.028 0.000 0.246 992 G HA3 0.337 4.314 3.960 0.028 0.000 0.246 992 G C 0.592 175.466 174.900 -0.044 0.000 1.216 992 G CA -0.511 44.605 45.100 0.028 0.000 0.854 992 G HN 0.969 nan 8.290 nan 0.000 0.572 993 I N -1.234 119.262 120.570 -0.123 0.000 3.427 993 I HA 0.378 4.565 4.170 0.028 0.000 0.288 993 I C 1.265 177.307 176.117 -0.125 0.000 1.249 993 I CA 0.419 61.609 61.300 -0.183 0.000 1.421 993 I CB -0.625 37.166 38.000 -0.349 0.000 1.086 993 I HN 0.890 nan 8.210 nan 0.000 0.448 994 G N 1.626 110.375 108.800 -0.085 0.000 2.641 994 G HA2 -0.004 3.972 3.960 0.028 0.000 0.254 994 G HA3 -0.004 3.972 3.960 0.028 0.000 0.254 994 G C 0.586 175.477 174.900 -0.015 0.000 1.315 994 G CA 0.227 45.315 45.100 -0.021 0.000 0.907 994 G HN 1.365 nan 8.290 nan 0.000 0.572 995 G N -2.520 106.286 108.800 0.011 0.000 2.559 995 G HA2 0.013 3.990 3.960 0.028 0.000 0.202 995 G HA3 0.013 3.990 3.960 0.028 0.000 0.202 995 G C 0.661 175.614 174.900 0.088 0.000 0.992 995 G CA 0.918 46.034 45.100 0.027 0.000 0.764 995 G HN 0.959 nan 8.290 nan 0.000 0.525 996 D N 1.280 121.756 120.400 0.127 0.000 2.203 996 D HA 0.084 4.741 4.640 0.028 0.000 0.199 996 D C 1.000 177.356 176.300 0.094 0.000 0.997 996 D CA 2.184 56.328 54.000 0.240 0.000 0.863 996 D CB 0.120 41.058 40.800 0.229 0.000 0.928 996 D HN 0.828 nan 8.370 nan 0.000 0.458 997 D N -3.753 116.482 120.400 -0.275 0.000 2.692 997 D HA 0.282 4.938 4.640 0.028 0.000 0.290 997 D C -0.842 174.917 176.300 -0.901 0.000 1.281 997 D CA -0.719 52.672 54.000 -1.014 0.000 0.804 997 D CB 0.713 40.534 40.800 -1.631 0.000 1.331 997 D HN -0.286 nan 8.370 nan 0.000 0.432 998 S N -0.572 114.394 115.700 -1.223 0.000 2.741 998 S HA 0.247 4.734 4.470 0.028 0.000 0.247 998 S C -0.603 173.939 174.600 -0.095 0.000 1.050 998 S CA -0.668 57.313 58.200 -0.366 0.000 1.025 998 S CB -0.484 62.738 63.200 0.036 0.000 0.897 998 S HN 0.591 nan 8.310 nan 0.000 0.508 999 W N 1.337 122.540 121.300 -0.163 0.000 2.190 999 W HA 0.608 5.283 4.660 0.026 0.000 0.337 999 W C -0.069 176.375 176.519 -0.125 0.000 0.911 999 W CA -0.649 56.588 57.345 -0.181 0.000 1.925 999 W CB -0.538 28.762 29.460 -0.267 0.000 1.134 999 W HN 0.167 nan 8.180 nan 0.000 0.536 1000 S N -1.382 114.214 115.700 -0.173 0.000 2.558 1000 S HA 0.494 4.981 4.470 0.028 0.000 0.277 1000 S C -3.171 171.368 174.600 -0.101 0.000 1.143 1000 S CA -1.418 56.718 58.200 -0.107 0.000 0.865 1000 S CB 1.337 64.498 63.200 -0.065 0.000 1.102 1000 S HN -0.193 nan 8.310 nan 0.000 0.454 1001 P HA 0.127 nan 4.420 nan 0.000 0.258 1001 P C 0.493 177.845 177.300 0.087 0.000 1.172 1001 P CA 0.229 63.351 63.100 0.036 0.000 0.762 1001 P CB 0.449 32.054 31.700 -0.158 0.000 0.764 1002 S N 0.862 116.646 115.700 0.139 0.000 2.733 1002 S HA 0.135 4.622 4.470 0.028 0.000 0.247 1002 S C 0.268 174.947 174.600 0.132 0.000 1.043 1002 S CA -0.319 57.932 58.200 0.086 0.000 1.066 1002 S CB -0.195 63.002 63.200 -0.004 0.000 1.045 1002 S HN 0.117 nan 8.310 nan 0.000 0.586 1003 V N 2.872 122.904 119.914 0.197 0.000 2.470 1003 V HA 0.351 4.488 4.120 0.028 0.000 0.276 1003 V C 0.819 177.053 176.094 0.235 0.000 1.040 1003 V CA -0.247 62.152 62.300 0.165 0.000 1.008 1003 V CB 0.982 32.839 31.823 0.056 0.000 0.990 1003 V HN 0.504 nan 8.190 nan 0.000 0.477 1004 S N 3.925 119.777 115.700 0.253 0.000 2.579 1004 S HA 0.316 4.803 4.470 0.028 0.000 0.275 1004 S C 1.541 176.276 174.600 0.225 0.000 1.345 1004 S CA 0.072 58.416 58.200 0.240 0.000 1.031 1004 S CB 1.153 64.519 63.200 0.276 0.000 0.892 1004 S HN 0.990 nan 8.310 nan 0.000 0.529 1005 A N 3.607 126.517 122.820 0.150 0.000 1.903 1005 A HA -0.187 4.150 4.320 0.028 0.000 0.219 1005 A C 2.039 179.647 177.584 0.040 0.000 1.191 1005 A CA 2.038 54.145 52.037 0.117 0.000 0.638 1005 A CB -0.838 18.209 19.000 0.078 0.000 0.823 1005 A HN 0.973 nan 8.150 nan 0.000 0.451 1006 E N -0.978 119.181 120.200 -0.069 0.000 2.331 1006 E HA -0.175 4.192 4.350 0.028 0.000 0.199 1006 E C 0.746 177.107 176.600 -0.397 0.000 1.008 1006 E CA 1.032 57.269 56.400 -0.272 0.000 0.843 1006 E CB -0.447 28.987 29.700 -0.443 0.000 0.761 1006 E HN 0.625 nan 8.360 nan 0.000 0.507 1007 F N 1.245 121.241 119.950 0.077 0.000 2.639 1007 F HA 0.308 4.852 4.527 0.027 0.000 0.302 1007 F C 0.727 176.560 175.800 0.054 0.000 1.097 1007 F CA -0.309 57.736 58.000 0.075 0.000 1.294 1007 F CB 0.382 39.426 39.000 0.073 0.000 1.027 1007 F HN -0.168 nan 8.300 nan 0.000 0.550 1008 Q N 0.804 120.701 119.800 0.162 0.000 2.230 1008 Q HA 0.430 4.787 4.340 0.028 0.000 0.253 1008 Q C -0.175 175.847 176.000 0.036 0.000 0.919 1008 Q CA -0.551 55.324 55.803 0.120 0.000 0.908 1008 Q CB 1.991 30.872 28.738 0.238 0.000 1.245 1008 Q HN 0.203 nan 8.270 nan 0.000 0.437 1009 L N 2.594 123.833 121.223 0.027 0.000 2.384 1009 L HA 0.089 4.445 4.340 0.028 0.000 0.258 1009 L C 0.652 177.503 176.870 -0.032 0.000 1.266 1009 L CA 0.003 54.855 54.840 0.019 0.000 1.162 1009 L CB -0.451 41.531 42.059 -0.128 0.000 1.375 1009 L HN 0.675 nan 8.230 nan 0.000 0.420 1010 S N -1.238 114.338 115.700 -0.207 0.000 2.554 1010 S HA 0.157 4.644 4.470 0.028 0.000 0.226 1010 S C 1.655 176.180 174.600 -0.124 0.000 0.980 1010 S CA 0.150 58.070 58.200 -0.467 0.000 0.939 1010 S CB 0.750 63.534 63.200 -0.694 0.000 0.832 1010 S HN 0.515 nan 8.310 nan 0.000 0.486 1011 A N 1.600 124.371 122.820 -0.082 0.000 2.067 1011 A HA 0.420 4.757 4.320 0.028 0.000 0.219 1011 A C 2.155 179.546 177.584 -0.322 0.000 1.158 1011 A CA 1.342 53.173 52.037 -0.343 0.000 0.661 1011 A CB -1.304 17.210 19.000 -0.810 0.000 0.801 1011 A HN 1.479 nan 8.150 nan 0.000 0.452 1012 G N -1.365 107.344 108.800 -0.151 0.000 2.498 1012 G HA2 -0.304 3.673 3.960 0.028 0.000 0.229 1012 G HA3 -0.304 3.673 3.960 0.028 0.000 0.229 1012 G C 0.494 175.359 174.900 -0.060 0.000 1.156 1012 G CA 0.484 45.569 45.100 -0.025 0.000 0.680 1012 G HN 0.683 nan 8.290 nan 0.000 0.512 1013 R N -0.338 119.989 120.500 -0.289 0.000 2.480 1013 R HA 0.666 5.022 4.340 0.028 0.000 0.306 1013 R C -1.527 174.503 176.300 -0.450 0.000 0.958 1013 R CA -0.568 55.420 56.100 -0.187 0.000 0.861 1013 R CB 1.428 31.669 30.300 -0.100 0.000 1.171 1013 R HN 0.246 nan 8.270 nan 0.000 0.445 1014 Y N 0.386 120.689 120.300 0.006 0.000 2.512 1014 Y HA 0.345 4.912 4.550 0.027 0.000 0.348 1014 Y C -0.396 175.650 175.900 0.243 0.000 0.990 1014 Y CA -0.827 57.247 58.100 -0.043 0.000 1.033 1014 Y CB 2.125 40.423 38.460 -0.270 0.000 1.259 1014 Y HN 0.569 nan 8.280 nan 0.000 0.461 1015 H N 2.640 121.985 119.070 0.459 0.000 2.759 1015 H HA 0.598 5.170 4.556 0.028 0.000 0.354 1015 H C -1.815 173.882 175.328 0.615 0.000 1.074 1015 H CA -0.890 55.405 56.048 0.412 0.000 1.226 1015 H CB 1.117 31.020 29.762 0.235 0.000 1.648 1015 H HN 0.551 nan 8.280 nan 0.000 0.529 1016 Y N 1.789 121.938 120.300 -0.252 0.000 2.581 1016 Y HA 0.426 4.993 4.550 0.028 0.000 0.337 1016 Y C -2.024 173.709 175.900 -0.278 0.000 1.108 1016 Y CA -1.123 56.888 58.100 -0.149 0.000 1.033 1016 Y CB 1.329 39.780 38.460 -0.014 0.000 1.318 1016 Y HN 0.715 nan 8.280 nan 0.000 0.459 1017 Q N 3.500 123.305 119.800 0.009 0.000 2.305 1017 Q HA 0.787 5.144 4.340 0.028 0.000 0.271 1017 Q C -2.022 174.071 176.000 0.155 0.000 1.046 1017 Q CA -0.985 54.811 55.803 -0.012 0.000 0.798 1017 Q CB 3.106 31.862 28.738 0.030 0.000 1.286 1017 Q HN 0.843 nan 8.270 nan 0.000 0.435 1018 L N 1.305 122.608 121.223 0.135 0.000 2.323 1018 L HA 0.784 5.141 4.340 0.028 0.000 0.265 1018 L C -0.774 176.223 176.870 0.212 0.000 1.012 1018 L CA -1.433 53.536 54.840 0.216 0.000 0.820 1018 L CB 2.439 44.609 42.059 0.185 0.000 1.334 1018 L HN 0.452 nan 8.230 nan 0.000 0.427 1019 V N 0.567 120.637 119.914 0.260 0.000 2.483 1019 V HA 0.364 4.501 4.120 0.028 0.000 0.297 1019 V C -1.275 174.992 176.094 0.288 0.000 1.027 1019 V CA -0.414 62.031 62.300 0.242 0.000 0.855 1019 V CB 2.041 33.978 31.823 0.190 0.000 0.995 1019 V HN 0.590 nan 8.190 nan 0.000 0.424 1020 W N 7.067 128.420 121.300 0.087 0.000 2.475 1020 W HA 0.730 5.407 4.660 0.028 0.000 0.317 1020 W C -0.223 176.294 176.519 -0.005 0.000 1.046 1020 W CA -1.041 56.277 57.345 -0.044 0.000 1.215 1020 W CB 1.452 30.955 29.460 0.072 0.000 1.335 1020 W HN 0.888 nan 8.180 nan 0.000 0.471 1021 C N 3.085 122.619 119.300 0.389 0.000 3.293 1021 C HA 0.573 5.049 4.460 0.028 0.000 0.362 1021 C C -0.718 174.387 174.990 0.191 0.000 1.539 1021 C CA -0.912 58.269 59.018 0.271 0.000 1.201 1021 C CB 1.524 29.368 27.740 0.173 0.000 1.770 1021 C HN 0.624 nan 8.230 nan 0.000 0.440 1022 Q N 1.395 121.272 119.800 0.128 0.000 2.267 1022 Q HA 0.347 4.703 4.340 0.028 0.000 0.255 1022 Q C -0.153 175.854 176.000 0.012 0.000 0.923 1022 Q CA -0.025 55.808 55.803 0.049 0.000 0.925 1022 Q CB 1.482 30.236 28.738 0.026 0.000 1.195 1022 Q HN 0.637 nan 8.270 nan 0.000 0.417 1023 K N 0.000 120.382 120.400 -0.031 0.000 2.780 1023 K HA 0.000 4.337 4.320 0.028 0.000 0.191 1023 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 1023 K CB 0.000 32.477 32.500 -0.039 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543