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 3dym_1_A 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 ANIETEGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.130 176.300 -0.283 0.000 0.893 13 R CA 0.000 55.983 56.100 -0.195 0.000 0.921 13 R CB 0.000 30.170 30.300 -0.216 0.000 0.687 14 R N 0.737 120.935 120.500 -0.505 0.000 2.570 14 R HA 0.142 4.490 4.340 0.013 0.000 0.246 14 R C -0.811 174.906 176.300 -0.972 0.000 1.417 14 R CA -0.171 55.209 56.100 -1.199 0.000 1.525 14 R CB 0.548 30.297 30.300 -0.920 0.000 1.403 14 R HN 0.511 nan 8.270 nan 0.000 0.754 15 D N 0.462 120.533 120.400 -0.548 0.000 2.265 15 D HA -0.180 4.468 4.640 0.013 0.000 0.208 15 D C 1.290 177.521 176.300 -0.114 0.000 0.977 15 D CA 1.178 54.950 54.000 -0.380 0.000 0.871 15 D CB 0.168 40.560 40.800 -0.679 0.000 0.925 15 D HN 0.593 nan 8.370 nan 0.000 0.485 16 W N 1.180 122.517 121.300 0.063 0.000 3.292 16 W HA 0.215 4.882 4.660 0.012 0.000 0.263 16 W C 0.588 177.204 176.519 0.161 0.000 1.318 16 W CA -0.296 57.187 57.345 0.229 0.000 1.663 16 W CB -0.239 29.396 29.460 0.292 0.000 1.114 16 W HN -0.193 nan 8.180 nan 0.000 0.706 17 E N 1.071 121.117 120.200 -0.256 0.000 2.995 17 E HA 0.045 4.403 4.350 0.013 0.000 0.203 17 E C -0.663 175.776 176.600 -0.267 0.000 0.980 17 E CA -0.196 56.080 56.400 -0.206 0.000 1.172 17 E CB -0.157 29.398 29.700 -0.241 0.000 1.088 17 E HN 0.014 nan 8.360 nan 0.000 0.463 18 N N 0.893 119.474 118.700 -0.199 0.000 2.594 18 N HA 0.128 4.875 4.740 0.013 0.000 0.280 18 N C -2.318 173.052 175.510 -0.234 0.000 1.156 18 N CA -1.940 50.961 53.050 -0.248 0.000 0.831 18 N CB 1.456 39.812 38.487 -0.219 0.000 1.379 18 N HN -0.178 nan 8.380 nan 0.000 0.536 19 P HA -0.022 nan 4.420 nan 0.000 0.223 19 P C 1.115 178.161 177.300 -0.422 0.000 1.144 19 P CA 0.906 63.654 63.100 -0.587 0.000 0.783 19 P CB 0.165 31.053 31.700 -1.354 0.000 0.771 20 G N -0.674 107.926 108.800 -0.333 0.000 2.551 20 G HA2 0.034 4.001 3.960 0.013 0.000 0.216 20 G HA3 0.034 4.001 3.960 0.013 0.000 0.216 20 G C 0.328 175.143 174.900 -0.141 0.000 1.137 20 G CA 0.164 45.123 45.100 -0.234 0.000 0.798 20 G HN 0.227 nan 8.290 nan 0.000 0.536 21 V N 1.761 121.612 119.914 -0.105 0.000 2.304 21 V HA 0.293 4.421 4.120 0.013 0.000 0.278 21 V C 0.861 177.014 176.094 0.098 0.000 1.018 21 V CA 0.154 62.447 62.300 -0.011 0.000 0.814 21 V CB 1.196 32.999 31.823 -0.033 0.000 1.021 21 V HN 0.338 nan 8.190 nan 0.000 0.440 22 T N 0.692 115.290 114.554 0.074 0.000 3.023 22 T HA 0.358 4.715 4.350 0.013 0.000 0.253 22 T C 0.271 174.992 174.700 0.035 0.000 1.038 22 T CA 0.081 62.220 62.100 0.065 0.000 0.962 22 T CB 0.303 69.165 68.868 -0.010 0.000 1.018 22 T HN 0.687 nan 8.240 nan 0.000 0.521 23 Q N 0.252 120.127 119.800 0.125 0.000 2.776 23 Q HA 0.658 5.005 4.340 0.013 0.000 0.289 23 Q C -2.326 173.799 176.000 0.208 0.000 0.912 23 Q CA -1.037 54.830 55.803 0.106 0.000 0.789 23 Q CB 0.739 29.462 28.738 -0.025 0.000 1.498 23 Q HN 0.222 nan 8.270 nan 0.000 0.408 24 L N 1.759 123.130 121.223 0.247 0.000 2.476 24 L HA 0.595 4.943 4.340 0.013 0.000 0.269 24 L C -0.695 176.295 176.870 0.200 0.000 0.965 24 L CA -0.899 54.089 54.840 0.247 0.000 0.845 24 L CB 1.926 44.236 42.059 0.418 0.000 1.259 24 L HN 0.853 nan 8.230 nan 0.000 0.403 25 N N 0.832 119.613 118.700 0.136 0.000 2.741 25 N HA -0.206 4.542 4.740 0.013 0.000 0.251 25 N C 0.145 175.707 175.510 0.087 0.000 1.112 25 N CA 0.810 53.930 53.050 0.116 0.000 0.750 25 N CB -0.842 37.688 38.487 0.071 0.000 1.119 25 N HN 0.665 nan 8.380 nan 0.000 0.561 26 R N 0.752 121.222 120.500 -0.049 0.000 2.490 26 R HA 0.419 4.767 4.340 0.013 0.000 0.278 26 R C 0.507 176.654 176.300 -0.255 0.000 1.069 26 R CA -0.400 55.451 56.100 -0.415 0.000 1.080 26 R CB 0.585 30.653 30.300 -0.387 0.000 1.030 26 R HN 0.122 nan 8.270 nan 0.000 0.491 27 L N 3.009 124.052 121.223 -0.301 0.000 2.436 27 L HA 0.305 4.653 4.340 0.013 0.000 0.265 27 L C 0.641 177.455 176.870 -0.092 0.000 1.168 27 L CA -0.592 54.172 54.840 -0.126 0.000 0.815 27 L CB 1.045 43.062 42.059 -0.070 0.000 1.109 27 L HN 0.802 nan 8.230 nan 0.000 0.462 28 A N 1.806 124.616 122.820 -0.016 0.000 2.466 28 A HA 0.449 4.777 4.320 0.013 0.000 0.238 28 A C 0.338 177.920 177.584 -0.003 0.000 1.074 28 A CA 0.045 52.080 52.037 -0.005 0.000 0.774 28 A CB 0.188 19.215 19.000 0.045 0.000 1.015 28 A HN 0.812 nan 8.150 nan 0.000 0.498 29 A N 1.259 124.026 122.820 -0.087 0.000 2.351 29 A HA 0.656 4.983 4.320 0.013 0.000 0.257 29 A C 0.091 177.553 177.584 -0.203 0.000 1.087 29 A CA 0.436 52.337 52.037 -0.227 0.000 0.798 29 A CB -0.128 18.750 19.000 -0.205 0.000 1.033 29 A HN 1.771 nan 8.150 nan 0.000 0.488 30 H N -1.672 117.244 119.070 -0.258 0.000 2.967 30 H HA 0.665 5.228 4.556 0.012 0.000 0.318 30 H C -3.360 171.676 175.328 -0.488 0.000 1.375 30 H CA -1.953 53.871 56.048 -0.373 0.000 1.132 30 H CB 0.125 29.533 29.762 -0.591 0.000 1.848 30 H HN 0.368 nan 8.280 nan 0.000 0.524 31 P HA 0.207 nan 4.420 nan 0.000 0.275 31 P C -2.573 174.555 177.300 -0.287 0.000 1.266 31 P CA -1.494 61.399 63.100 -0.344 0.000 0.793 31 P CB -0.299 31.111 31.700 -0.482 0.000 1.074 32 P HA 0.084 nan 4.420 nan 0.000 0.262 32 P C -0.782 176.731 177.300 0.355 0.000 1.199 32 P CA 1.059 64.208 63.100 0.081 0.000 0.763 32 P CB -0.172 31.607 31.700 0.132 0.000 0.790 33 F N 1.537 121.602 119.950 0.192 0.000 2.538 33 F HA 0.599 5.133 4.527 0.012 0.000 0.325 33 F C 1.035 176.785 175.800 -0.083 0.000 1.066 33 F CA -0.986 57.067 58.000 0.088 0.000 0.946 33 F CB 2.152 41.155 39.000 0.005 0.000 1.199 33 F HN 0.218 nan 8.300 nan 0.000 0.473 34 A N 0.467 123.237 122.820 -0.083 0.000 2.425 34 A HA 0.234 4.562 4.320 0.013 0.000 0.201 34 A C 0.677 177.986 177.584 -0.459 0.000 1.431 34 A CA 0.509 52.255 52.037 -0.484 0.000 1.066 34 A CB -0.058 18.181 19.000 -1.269 0.000 1.318 34 A HN 0.789 nan 8.150 nan 0.000 0.534 35 S N 0.175 115.710 115.700 -0.275 0.000 3.628 35 S HA -0.139 4.338 4.470 0.013 0.000 0.373 35 S C -0.111 174.433 174.600 -0.092 0.000 0.968 35 S CA 0.388 58.484 58.200 -0.173 0.000 1.215 35 S CB -1.688 61.402 63.200 -0.184 0.000 0.912 35 S HN 0.463 nan 8.310 nan 0.000 0.495 36 W N 1.856 123.131 121.300 -0.041 0.000 2.158 36 W HA 0.253 4.920 4.660 0.012 0.000 0.339 36 W C 1.408 177.900 176.519 -0.045 0.000 1.294 36 W CA -0.528 56.798 57.345 -0.031 0.000 1.231 36 W CB 0.264 29.707 29.460 -0.028 0.000 1.143 36 W HN 0.364 nan 8.180 nan 0.000 0.571 37 R N 1.874 122.495 120.500 0.202 0.000 2.509 37 R HA 0.084 4.431 4.340 0.013 0.000 0.300 37 R C -0.019 176.328 176.300 0.078 0.000 0.985 37 R CA -0.108 56.052 56.100 0.100 0.000 1.092 37 R CB -0.062 30.268 30.300 0.049 0.000 1.237 37 R HN 0.348 nan 8.270 nan 0.000 0.546 38 N N -0.039 118.716 118.700 0.092 0.000 2.397 38 N HA 0.123 4.870 4.740 0.013 0.000 0.291 38 N C -0.158 175.312 175.510 -0.067 0.000 1.065 38 N CA -0.084 52.972 53.050 0.011 0.000 0.884 38 N CB 2.022 40.518 38.487 0.015 0.000 1.551 38 N HN -0.266 nan 8.380 nan 0.000 0.487 39 S N 2.133 117.770 115.700 -0.105 0.000 2.428 39 S HA -0.119 4.358 4.470 0.013 0.000 0.230 39 S C 1.354 175.772 174.600 -0.302 0.000 1.014 39 S CA 0.816 58.908 58.200 -0.181 0.000 0.957 39 S CB 0.052 63.179 63.200 -0.120 0.000 0.784 39 S HN 0.754 nan 8.310 nan 0.000 0.499 40 E N 1.863 121.907 120.200 -0.260 0.000 2.106 40 E HA -0.128 4.230 4.350 0.013 0.000 0.192 40 E C 1.785 178.169 176.600 -0.359 0.000 0.984 40 E CA 1.093 57.303 56.400 -0.317 0.000 0.806 40 E CB -0.160 29.411 29.700 -0.213 0.000 0.750 40 E HN 0.204 nan 8.360 nan 0.000 0.458 41 E N 0.268 120.272 120.200 -0.326 0.000 2.077 41 E HA -0.116 4.241 4.350 0.013 0.000 0.193 41 E C 1.973 178.030 176.600 -0.906 0.000 0.989 41 E CA 1.195 57.374 56.400 -0.367 0.000 0.800 41 E CB -0.607 29.015 29.700 -0.129 0.000 0.746 41 E HN 0.389 nan 8.360 nan 0.000 0.452 42 A N 1.386 123.429 122.820 -1.294 0.000 1.902 42 A HA -0.195 4.133 4.320 0.013 0.000 0.217 42 A C 2.245 179.217 177.584 -1.019 0.000 1.181 42 A CA 1.708 52.627 52.037 -1.863 0.000 0.623 42 A CB -0.493 17.947 19.000 -0.934 0.000 0.818 42 A HN 0.150 nan 8.150 nan 0.000 0.443 43 R N -0.220 119.874 120.500 -0.677 0.000 2.081 43 R HA -0.142 4.205 4.340 0.013 0.000 0.235 43 R C 2.086 178.136 176.300 -0.417 0.000 1.131 43 R CA 2.155 57.931 56.100 -0.541 0.000 0.960 43 R CB -0.504 29.370 30.300 -0.710 0.000 0.856 43 R HN 0.642 nan 8.270 nan 0.000 0.436 44 T N -2.584 111.737 114.554 -0.389 0.000 3.113 44 T HA -0.001 4.357 4.350 0.013 0.000 0.256 44 T C 0.440 175.052 174.700 -0.147 0.000 1.131 44 T CA 0.668 62.631 62.100 -0.228 0.000 1.074 44 T CB 0.008 68.769 68.868 -0.178 0.000 0.944 44 T HN 0.368 nan 8.240 nan 0.000 0.516 45 D N 0.664 120.926 120.400 -0.231 0.000 2.981 45 D HA -0.155 4.492 4.640 0.013 0.000 0.223 45 D C 0.076 176.503 176.300 0.211 0.000 1.151 45 D CA 0.406 54.423 54.000 0.029 0.000 0.827 45 D CB -1.204 39.666 40.800 0.116 0.000 1.101 45 D HN 0.580 nan 8.370 nan 0.000 0.426 46 R N 0.095 120.682 120.500 0.144 0.000 2.707 46 R HA 0.441 4.789 4.340 0.013 0.000 0.270 46 R C -2.051 174.529 176.300 0.467 0.000 1.083 46 R CA -1.134 55.105 56.100 0.232 0.000 1.182 46 R CB 0.130 30.504 30.300 0.122 0.000 1.084 46 R HN 0.093 nan 8.270 nan 0.000 0.528 47 P HA -0.011 nan 4.420 nan 0.000 0.270 47 P C -0.795 176.648 177.300 0.238 0.000 1.223 47 P CA -0.078 63.160 63.100 0.230 0.000 0.785 47 P CB 0.783 32.566 31.700 0.138 0.000 0.923 48 S N 0.810 116.503 115.700 -0.012 0.000 2.451 48 S HA 0.136 4.614 4.470 0.013 0.000 0.301 48 S C 0.946 175.545 174.600 -0.003 0.000 1.116 48 S CA -0.497 57.626 58.200 -0.128 0.000 1.093 48 S CB 0.460 63.258 63.200 -0.669 0.000 1.017 48 S HN 0.195 nan 8.310 nan 0.000 0.482 49 Q N 2.562 122.403 119.800 0.068 0.000 2.364 49 Q HA -0.035 4.312 4.340 0.013 0.000 0.209 49 Q C 0.956 177.057 176.000 0.168 0.000 0.977 49 Q CA 1.299 57.176 55.803 0.123 0.000 0.885 49 Q CB -0.148 28.665 28.738 0.126 0.000 0.941 49 Q HN 0.701 nan 8.270 nan 0.000 0.464 50 Q N -0.495 119.318 119.800 0.023 0.000 2.360 50 Q HA 0.127 4.474 4.340 0.013 0.000 0.202 50 Q C -0.372 175.643 176.000 0.025 0.000 0.915 50 Q CA 0.080 55.837 55.803 -0.078 0.000 0.943 50 Q CB 0.390 29.007 28.738 -0.202 0.000 1.064 50 Q HN 0.014 nan 8.270 nan 0.000 0.511 51 L N 0.850 122.121 121.223 0.080 0.000 2.388 51 L HA 0.440 4.787 4.340 0.013 0.000 0.267 51 L C -1.191 175.765 176.870 0.143 0.000 0.995 51 L CA -0.469 54.420 54.840 0.082 0.000 0.864 51 L CB 0.938 42.951 42.059 -0.076 0.000 1.216 51 L HN -0.086 nan 8.230 nan 0.000 0.430 52 R N 2.356 122.983 120.500 0.212 0.000 2.532 52 R HA 0.584 4.932 4.340 0.013 0.000 0.295 52 R C -0.386 175.942 176.300 0.046 0.000 0.968 52 R CA -0.672 55.496 56.100 0.114 0.000 0.916 52 R CB 1.918 32.253 30.300 0.059 0.000 1.124 52 R HN 0.647 nan 8.270 nan 0.000 0.463 53 S N 2.345 118.061 115.700 0.026 0.000 2.513 53 S HA 0.251 4.729 4.470 0.013 0.000 0.276 53 S C 0.570 175.167 174.600 -0.004 0.000 1.254 53 S CA -0.636 57.569 58.200 0.008 0.000 1.053 53 S CB 0.460 63.675 63.200 0.025 0.000 0.958 53 S HN 0.566 nan 8.310 nan 0.000 0.491 54 L N 3.839 125.052 121.223 -0.016 0.000 2.818 54 L HA 0.307 4.655 4.340 0.013 0.000 0.243 54 L C 0.265 177.251 176.870 0.193 0.000 1.185 54 L CA -0.406 54.436 54.840 0.004 0.000 0.988 54 L CB -0.251 41.738 42.059 -0.116 0.000 1.292 54 L HN 0.519 nan 8.230 nan 0.000 0.519 55 N N 1.212 119.991 118.700 0.131 0.000 2.444 55 N HA 0.506 5.253 4.740 0.013 0.000 0.255 55 N C 0.652 176.289 175.510 0.211 0.000 1.255 55 N CA 0.974 54.120 53.050 0.159 0.000 0.933 55 N CB 1.319 39.834 38.487 0.047 0.000 1.143 55 N HN 0.280 nan 8.380 nan 0.000 0.453 56 G N 0.140 109.084 108.800 0.239 0.000 2.247 56 G HA2 -0.093 3.875 3.960 0.013 0.000 0.229 56 G HA3 -0.093 3.875 3.960 0.013 0.000 0.229 56 G C -1.499 173.610 174.900 0.349 0.000 1.345 56 G CA -0.816 44.416 45.100 0.222 0.000 1.100 56 G HN 0.470 nan 8.290 nan 0.000 0.473 57 E N 0.171 120.543 120.200 0.286 0.000 2.257 57 E HA 0.433 4.790 4.350 0.013 0.000 0.278 57 E C -0.817 176.045 176.600 0.437 0.000 1.049 57 E CA 0.016 56.604 56.400 0.313 0.000 0.876 57 E CB 0.700 30.506 29.700 0.177 0.000 1.035 57 E HN 0.363 nan 8.360 nan 0.000 0.419 58 W N 1.786 123.176 121.300 0.151 0.000 2.894 58 W HA 0.432 5.100 4.660 0.013 0.000 0.345 58 W C 0.093 176.736 176.519 0.206 0.000 1.152 58 W CA -0.771 56.691 57.345 0.196 0.000 1.089 58 W CB 0.753 30.384 29.460 0.284 0.000 1.454 58 W HN 0.168 nan 8.180 nan 0.000 0.589 59 R N 1.496 122.281 120.500 0.475 0.000 2.346 59 R HA 0.538 4.885 4.340 0.013 0.000 0.311 59 R C -1.504 175.036 176.300 0.400 0.000 0.983 59 R CA -0.854 55.456 56.100 0.351 0.000 0.880 59 R CB 1.024 31.480 30.300 0.261 0.000 1.100 59 R HN 0.463 nan 8.270 nan 0.000 0.453 60 F N 0.734 120.716 119.950 0.053 0.000 2.581 60 F HA 0.634 5.168 4.527 0.012 0.000 0.311 60 F C -1.466 174.171 175.800 -0.273 0.000 1.113 60 F CA -0.629 57.257 58.000 -0.190 0.000 0.935 60 F CB 1.978 40.736 39.000 -0.403 0.000 1.232 60 F HN 0.585 nan 8.300 nan 0.000 0.445 61 A N 4.873 126.941 122.820 -1.254 0.000 2.398 61 A HA 0.522 4.850 4.320 0.013 0.000 0.301 61 A C -2.282 174.396 177.584 -1.509 0.000 1.041 61 A CA -0.507 50.881 52.037 -1.082 0.000 0.711 61 A CB 0.604 19.272 19.000 -0.554 0.000 1.240 61 A HN 0.953 nan 8.150 nan 0.000 0.420 62 W N 3.274 123.767 121.300 -1.345 0.000 2.351 62 W HA 0.702 5.370 4.660 0.012 0.000 0.311 62 W C -1.636 174.177 176.519 -1.176 0.000 1.168 62 W CA -0.154 56.542 57.345 -1.081 0.000 1.200 62 W CB 0.787 29.920 29.460 -0.545 0.000 1.221 62 W HN 0.510 nan 8.180 nan 0.000 0.519 63 F N 6.133 125.438 119.950 -1.075 0.000 2.593 63 F HA 0.416 4.951 4.527 0.012 0.000 0.320 63 F C -1.336 173.533 175.800 -1.553 0.000 1.060 63 F CA -2.304 55.144 58.000 -0.920 0.000 0.940 63 F CB 1.818 40.438 39.000 -0.633 0.000 1.268 63 F HN 0.208 nan 8.300 nan 0.000 0.475 64 P HA 0.289 nan 4.420 nan 0.000 0.261 64 P C -0.715 176.451 177.300 -0.224 0.000 1.268 64 P CA 0.443 63.204 63.100 -0.566 0.000 0.833 64 P CB 0.956 32.651 31.700 -0.008 0.000 1.231 65 A N 0.388 123.083 122.820 -0.208 0.000 2.590 65 A HA 0.491 4.818 4.320 0.013 0.000 0.294 65 A C -2.562 174.919 177.584 -0.171 0.000 1.046 65 A CA -0.815 51.158 52.037 -0.108 0.000 0.684 65 A CB 0.329 19.327 19.000 -0.004 0.000 1.279 65 A HN -0.313 nan 8.150 nan 0.000 0.415 66 P HA -0.085 nan 4.420 nan 0.000 0.220 66 P C 0.735 177.928 177.300 -0.178 0.000 1.148 66 P CA 1.456 64.414 63.100 -0.237 0.000 0.803 66 P CB 0.228 31.748 31.700 -0.299 0.000 0.782 67 E N 0.255 120.408 120.200 -0.078 0.000 2.268 67 E HA -0.050 4.308 4.350 0.013 0.000 0.195 67 E C 2.058 178.587 176.600 -0.119 0.000 0.995 67 E CA 1.170 57.538 56.400 -0.054 0.000 0.836 67 E CB -0.764 28.947 29.700 0.017 0.000 0.763 67 E HN 0.220 nan 8.360 nan 0.000 0.491 68 A N 0.625 123.347 122.820 -0.164 0.000 2.208 68 A HA 0.057 4.385 4.320 0.013 0.000 0.209 68 A C 0.794 178.078 177.584 -0.500 0.000 1.161 68 A CA -0.022 51.911 52.037 -0.174 0.000 0.782 68 A CB 0.125 19.119 19.000 -0.011 0.000 0.816 68 A HN 0.046 nan 8.150 nan 0.000 0.477 69 V N 3.249 122.736 119.914 -0.711 0.000 2.470 69 V HA 0.194 4.322 4.120 0.013 0.000 0.276 69 V C -1.935 173.831 176.094 -0.546 0.000 1.040 69 V CA -1.433 60.221 62.300 -1.076 0.000 1.008 69 V CB 0.446 31.716 31.823 -0.922 0.000 0.990 69 V HN 0.386 nan 8.190 nan 0.000 0.477 70 P HA 0.148 nan 4.420 nan 0.000 0.276 70 P C 0.694 177.934 177.300 -0.100 0.000 1.230 70 P CA -0.392 62.600 63.100 -0.180 0.000 0.776 70 P CB 0.790 32.435 31.700 -0.091 0.000 0.888 71 E N 1.324 121.476 120.200 -0.080 0.000 2.331 71 E HA -0.193 4.165 4.350 0.013 0.000 0.199 71 E C 1.274 177.839 176.600 -0.058 0.000 1.008 71 E CA 1.371 57.727 56.400 -0.074 0.000 0.843 71 E CB -0.301 29.361 29.700 -0.063 0.000 0.761 71 E HN 0.425 nan 8.360 nan 0.000 0.507 72 S N 0.041 115.730 115.700 -0.018 0.000 2.436 72 S HA -0.163 4.314 4.470 0.013 0.000 0.228 72 S C 1.657 176.262 174.600 0.007 0.000 1.014 72 S CA 0.399 58.593 58.200 -0.010 0.000 0.950 72 S CB -0.818 62.389 63.200 0.012 0.000 0.784 72 S HN 0.653 nan 8.310 nan 0.000 0.504 73 W N 2.426 123.628 121.300 -0.164 0.000 2.341 73 W HA -0.048 4.620 4.660 0.012 0.000 0.283 73 W C 1.506 177.913 176.519 -0.188 0.000 1.215 73 W CA 1.109 58.358 57.345 -0.162 0.000 1.211 73 W CB -0.376 28.964 29.460 -0.200 0.000 1.131 73 W HN 0.298 nan 8.180 nan 0.000 0.552 74 L N 0.033 120.997 121.223 -0.432 0.000 2.109 74 L HA -0.137 4.210 4.340 0.013 0.000 0.207 74 L C 2.517 179.147 176.870 -0.399 0.000 1.086 74 L CA 1.226 55.667 54.840 -0.665 0.000 0.760 74 L CB -0.690 41.020 42.059 -0.582 0.000 0.910 74 L HN -0.123 nan 8.230 nan 0.000 0.437 75 E N -0.709 119.352 120.200 -0.231 0.000 2.190 75 E HA 0.016 4.373 4.350 0.013 0.000 0.191 75 E C 0.442 176.970 176.600 -0.120 0.000 0.978 75 E CA 0.586 56.904 56.400 -0.137 0.000 0.839 75 E CB 0.379 30.031 29.700 -0.080 0.000 0.787 75 E HN 0.521 nan 8.360 nan 0.000 0.473 76 C N -1.145 118.087 119.300 -0.112 0.000 3.311 76 C HA 0.521 4.989 4.460 0.013 0.000 0.325 76 C C -0.123 174.857 174.990 -0.016 0.000 1.352 76 C CA -1.606 57.371 59.018 -0.068 0.000 1.308 76 C CB 0.768 28.490 27.740 -0.031 0.000 1.619 76 C HN 0.009 nan 8.230 nan 0.000 0.469 77 D N 0.249 120.659 120.400 0.017 0.000 2.406 77 D HA 0.397 5.044 4.640 0.013 0.000 0.234 77 D C -0.427 175.952 176.300 0.132 0.000 1.196 77 D CA 0.530 54.589 54.000 0.099 0.000 0.881 77 D CB 0.433 41.280 40.800 0.079 0.000 1.205 77 D HN 0.561 nan 8.370 nan 0.000 0.453 78 L N 4.304 125.638 121.223 0.184 0.000 2.272 78 L HA 0.310 4.658 4.340 0.013 0.000 0.289 78 L C -1.327 175.597 176.870 0.089 0.000 1.032 78 L CA -1.479 53.444 54.840 0.137 0.000 0.810 78 L CB 1.445 43.590 42.059 0.143 0.000 1.205 78 L HN 0.403 nan 8.230 nan 0.000 0.422 79 P HA -0.256 nan 4.420 nan 0.000 0.218 79 P C 0.939 178.265 177.300 0.043 0.000 1.154 79 P CA 1.475 64.604 63.100 0.049 0.000 0.872 79 P CB 0.098 31.821 31.700 0.039 0.000 0.790 80 E N -0.218 120.004 120.200 0.037 0.000 2.435 80 E HA 0.082 4.440 4.350 0.013 0.000 0.195 80 E C 0.871 177.483 176.600 0.020 0.000 1.029 80 E CA 0.080 56.493 56.400 0.021 0.000 0.865 80 E CB -0.834 28.864 29.700 -0.003 0.000 0.833 80 E HN 0.103 nan 8.360 nan 0.000 0.510 81 A N 1.649 124.488 122.820 0.032 0.000 2.507 81 A HA 0.075 4.402 4.320 0.013 0.000 0.235 81 A C -0.206 177.428 177.584 0.083 0.000 1.070 81 A CA 0.132 52.189 52.037 0.033 0.000 0.768 81 A CB 0.178 19.225 19.000 0.079 0.000 1.011 81 A HN 0.085 nan 8.150 nan 0.000 0.502 82 D N -0.158 120.321 120.400 0.133 0.000 2.326 82 D HA 0.527 5.174 4.640 0.013 0.000 0.248 82 D C -0.453 175.956 176.300 0.183 0.000 1.001 82 D CA -0.021 54.080 54.000 0.169 0.000 0.961 82 D CB 1.157 42.108 40.800 0.253 0.000 1.183 82 D HN 0.382 nan 8.370 nan 0.000 0.502 83 T N 0.508 115.152 114.554 0.149 0.000 2.744 83 T HA 0.518 4.875 4.350 0.013 0.000 0.291 83 T C -0.008 174.780 174.700 0.146 0.000 0.957 83 T CA -0.529 61.666 62.100 0.158 0.000 1.002 83 T CB 0.549 69.488 68.868 0.119 0.000 0.919 83 T HN 0.268 nan 8.240 nan 0.000 0.468 84 V N 1.410 121.444 119.914 0.201 0.000 3.078 84 V HA 0.772 4.899 4.120 0.013 0.000 0.311 84 V C -0.324 175.895 176.094 0.207 0.000 1.138 84 V CA -1.072 61.313 62.300 0.141 0.000 1.007 84 V CB 1.694 33.596 31.823 0.130 0.000 1.045 84 V HN 0.507 nan 8.190 nan 0.000 0.432 85 V N 2.596 122.606 119.914 0.161 0.000 2.555 85 V HA 0.433 4.561 4.120 0.013 0.000 0.286 85 V C 0.168 176.335 176.094 0.122 0.000 1.044 85 V CA 0.014 62.406 62.300 0.153 0.000 1.026 85 V CB 1.237 33.121 31.823 0.103 0.000 0.981 85 V HN 0.744 nan 8.190 nan 0.000 0.480 86 V N 7.559 127.471 119.914 -0.003 0.000 2.604 86 V HA 0.468 4.596 4.120 0.013 0.000 0.305 86 V C -2.200 173.781 176.094 -0.189 0.000 1.043 86 V CA -1.783 60.367 62.300 -0.250 0.000 0.888 86 V CB 2.459 33.744 31.823 -0.897 0.000 0.995 86 V HN 0.761 nan 8.190 nan 0.000 0.429 87 P HA 0.430 nan 4.420 nan 0.000 0.274 87 P C -0.810 176.423 177.300 -0.111 0.000 1.231 87 P CA -0.073 62.906 63.100 -0.201 0.000 0.790 87 P CB 1.309 32.902 31.700 -0.178 0.000 0.951 88 S N 0.267 115.916 115.700 -0.083 0.000 2.627 88 S HA 0.396 4.873 4.470 0.013 0.000 0.268 88 S C -1.417 173.127 174.600 -0.093 0.000 1.130 88 S CA -1.029 57.111 58.200 -0.100 0.000 0.819 88 S CB 0.339 63.449 63.200 -0.151 0.000 1.100 88 S HN 0.357 nan 8.310 nan 0.000 0.465 89 N N 1.055 119.625 118.700 -0.217 0.000 2.417 89 N HA 0.428 5.175 4.740 0.013 0.000 0.274 89 N C 0.546 175.874 175.510 -0.304 0.000 0.987 89 N CA -0.838 52.059 53.050 -0.254 0.000 0.912 89 N CB 0.764 39.073 38.487 -0.296 0.000 1.177 89 N HN 0.845 nan 8.380 nan 0.000 0.490 90 W N 2.840 123.984 121.300 -0.259 0.000 2.331 90 W HA -0.176 4.491 4.660 0.013 0.000 0.291 90 W C 1.092 177.557 176.519 -0.089 0.000 1.214 90 W CA 1.038 58.210 57.345 -0.289 0.000 1.228 90 W CB -0.437 28.827 29.460 -0.327 0.000 1.135 90 W HN 0.490 nan 8.180 nan 0.000 0.537 91 Q N 0.419 120.181 119.800 -0.063 0.000 2.135 91 Q HA -0.186 4.162 4.340 0.013 0.000 0.204 91 Q C 2.198 178.141 176.000 -0.094 0.000 0.981 91 Q CA 2.256 58.029 55.803 -0.051 0.000 0.856 91 Q CB -0.755 27.842 28.738 -0.235 0.000 0.902 91 Q HN 0.266 nan 8.270 nan 0.000 0.425 92 M N -0.716 118.781 119.600 -0.172 0.000 2.358 92 M HA -0.126 4.362 4.480 0.013 0.000 0.264 92 M C 0.943 177.301 176.300 0.097 0.000 1.064 92 M CA 1.575 56.803 55.300 -0.121 0.000 1.093 92 M CB -0.830 31.680 32.600 -0.151 0.000 1.401 92 M HN 0.398 nan 8.290 nan 0.000 0.440 93 H N -1.188 117.904 119.070 0.036 0.000 2.551 93 H HA 0.286 4.850 4.556 0.013 0.000 0.271 93 H C 1.271 176.499 175.328 -0.167 0.000 0.984 93 H CA 0.087 56.145 56.048 0.016 0.000 1.164 93 H CB 0.332 30.232 29.762 0.230 0.000 1.437 93 H HN 0.563 nan 8.280 nan 0.000 0.550 94 G N 0.583 109.387 108.800 0.005 0.000 2.157 94 G HA2 -0.365 3.603 3.960 0.013 0.000 0.248 94 G HA3 -0.365 3.603 3.960 0.013 0.000 0.248 94 G C 0.406 175.171 174.900 -0.226 0.000 0.979 94 G CA 0.361 45.383 45.100 -0.130 0.000 0.650 94 G HN 0.456 nan 8.290 nan 0.000 0.529 95 Y N 1.679 121.990 120.300 0.018 0.000 2.224 95 Y HA 0.217 4.774 4.550 0.012 0.000 0.289 95 Y C 1.755 177.450 175.900 -0.342 0.000 1.146 95 Y CA 1.712 59.726 58.100 -0.143 0.000 1.182 95 Y CB 0.036 38.474 38.460 -0.036 0.000 0.983 95 Y HN 0.678 nan 8.280 nan 0.000 0.524 96 D N -2.174 118.279 120.400 0.089 0.000 2.768 96 D HA 0.520 5.167 4.640 0.013 0.000 0.327 96 D C -1.220 175.146 176.300 0.111 0.000 1.302 96 D CA -0.795 53.251 54.000 0.076 0.000 0.897 96 D CB 0.744 41.696 40.800 0.254 0.000 1.420 96 D HN -0.032 nan 8.370 nan 0.000 0.494 97 A N -0.258 122.641 122.820 0.132 0.000 2.303 97 A HA 0.732 5.060 4.320 0.013 0.000 0.317 97 A C -2.418 175.186 177.584 0.033 0.000 1.149 97 A CA -1.301 50.789 52.037 0.089 0.000 0.822 97 A CB 0.251 19.377 19.000 0.210 0.000 1.131 97 A HN 0.525 nan 8.150 nan 0.000 0.493 98 P HA 0.364 nan 4.420 nan 0.000 0.274 98 P C -0.843 176.661 177.300 0.340 0.000 1.231 98 P CA 0.187 63.239 63.100 -0.080 0.000 0.790 98 P CB 0.588 31.955 31.700 -0.555 0.000 0.951 99 I N 2.314 123.154 120.570 0.450 0.000 2.378 99 I HA 0.226 4.404 4.170 0.013 0.000 0.291 99 I C -0.466 175.824 176.117 0.288 0.000 0.992 99 I CA -0.914 60.633 61.300 0.413 0.000 1.154 99 I CB 1.389 39.562 38.000 0.288 0.000 1.315 99 I HN 0.299 nan 8.210 nan 0.000 0.448 100 Y N 6.108 126.330 120.300 -0.131 0.000 2.717 100 Y HA 0.403 4.960 4.550 0.012 0.000 0.329 100 Y C -0.138 175.595 175.900 -0.279 0.000 1.017 100 Y CA -0.366 57.359 58.100 -0.625 0.000 1.275 100 Y CB 0.928 38.481 38.460 -1.512 0.000 1.109 100 Y HN 0.513 nan 8.280 nan 0.000 0.511 101 T N 5.382 119.392 114.554 -0.906 0.000 2.841 101 T HA 0.256 4.613 4.350 0.013 0.000 0.283 101 T C 0.324 174.516 174.700 -0.847 0.000 1.000 101 T CA -0.576 61.053 62.100 -0.785 0.000 0.977 101 T CB 0.960 69.610 68.868 -0.363 0.000 0.979 101 T HN 0.747 nan 8.240 nan 0.000 0.446 102 N N 2.755 121.016 118.700 -0.732 0.000 2.236 102 N HA 0.041 4.789 4.740 0.013 0.000 0.195 102 N C 1.590 176.888 175.510 -0.354 0.000 1.048 102 N CA 1.285 54.063 53.050 -0.452 0.000 0.927 102 N CB -0.458 37.806 38.487 -0.372 0.000 1.112 102 N HN 0.418 nan 8.380 nan 0.000 0.482 103 V N 0.441 120.131 119.914 -0.373 0.000 2.581 103 V HA 0.097 4.225 4.120 0.013 0.000 0.240 103 V C 0.441 176.302 176.094 -0.388 0.000 1.054 103 V CA 0.733 62.813 62.300 -0.366 0.000 1.076 103 V CB -0.470 31.139 31.823 -0.356 0.000 0.748 103 V HN 0.312 nan 8.190 nan 0.000 0.474 104 T N 0.859 115.224 114.554 -0.316 0.000 2.902 104 T HA 0.166 4.523 4.350 0.013 0.000 0.301 104 T C -0.369 174.186 174.700 -0.241 0.000 1.012 104 T CA 0.208 62.165 62.100 -0.238 0.000 1.151 104 T CB -0.099 68.666 68.868 -0.171 0.000 0.946 104 T HN 0.185 nan 8.240 nan 0.000 0.542 105 Y N 4.552 124.758 120.300 -0.156 0.000 2.597 105 Y HA 0.110 4.667 4.550 0.012 0.000 0.336 105 Y C -0.803 174.970 175.900 -0.212 0.000 1.216 105 Y CA -1.729 56.262 58.100 -0.183 0.000 1.463 105 Y CB 0.589 38.924 38.460 -0.209 0.000 1.303 105 Y HN 0.533 nan 8.280 nan 0.000 0.576 106 P HA -0.071 nan 4.420 nan 0.000 0.234 106 P C -0.266 176.830 177.300 -0.340 0.000 1.167 106 P CA 1.239 64.248 63.100 -0.151 0.000 0.763 106 P CB -0.065 31.594 31.700 -0.068 0.000 0.835 107 I N -5.563 114.778 120.570 -0.381 0.000 3.002 107 I HA 0.472 4.650 4.170 0.013 0.000 0.310 107 I C -0.600 175.385 176.117 -0.220 0.000 1.087 107 I CA -1.274 59.767 61.300 -0.431 0.000 1.017 107 I CB 1.628 39.214 38.000 -0.690 0.000 1.226 107 I HN -0.483 nan 8.210 nan 0.000 0.443 108 T N 2.964 117.424 114.554 -0.156 0.000 2.871 108 T HA 0.116 4.474 4.350 0.013 0.000 0.296 108 T C 0.271 174.953 174.700 -0.029 0.000 0.998 108 T CA -0.174 61.889 62.100 -0.061 0.000 1.162 108 T CB 0.184 69.040 68.868 -0.020 0.000 0.947 108 T HN 0.371 nan 8.240 nan 0.000 0.536 109 V N 5.315 125.231 119.914 0.004 0.000 2.377 109 V HA 0.183 4.310 4.120 0.013 0.000 0.254 109 V C 0.778 176.936 176.094 0.107 0.000 1.060 109 V CA -0.142 62.187 62.300 0.048 0.000 1.068 109 V CB -0.543 31.306 31.823 0.044 0.000 1.113 109 V HN 0.875 nan 8.190 nan 0.000 0.484 110 N N 5.801 124.633 118.700 0.220 0.000 2.732 110 N HA 0.276 5.023 4.740 0.013 0.000 0.230 110 N C -3.089 172.546 175.510 0.210 0.000 1.487 110 N CA -1.191 51.980 53.050 0.202 0.000 0.765 110 N CB 1.485 40.109 38.487 0.228 0.000 1.384 110 N HN 0.237 nan 8.380 nan 0.000 0.530 111 P HA 0.197 nan 4.420 nan 0.000 0.268 111 P C -2.193 174.877 177.300 -0.384 0.000 1.205 111 P CA -0.839 61.841 63.100 -0.701 0.000 0.771 111 P CB 0.480 31.630 31.700 -0.916 0.000 0.858 112 P HA 0.188 nan 4.420 nan 0.000 0.263 112 P C -0.405 176.640 177.300 -0.426 0.000 1.448 112 P CA -0.167 62.596 63.100 -0.561 0.000 0.983 112 P CB 0.021 31.407 31.700 -0.524 0.000 1.481 113 F N 1.026 121.050 119.950 0.124 0.000 2.406 113 F HA 0.247 4.782 4.527 0.013 0.000 0.327 113 F C 1.450 177.423 175.800 0.289 0.000 1.153 113 F CA -0.610 57.497 58.000 0.179 0.000 1.218 113 F CB 0.501 39.560 39.000 0.099 0.000 1.215 113 F HN -0.209 nan 8.300 nan 0.000 0.570 114 V N -0.752 119.433 119.914 0.451 0.000 3.113 114 V HA 0.699 4.827 4.120 0.013 0.000 0.316 114 V C -2.730 173.519 176.094 0.258 0.000 1.125 114 V CA -2.834 59.656 62.300 0.316 0.000 1.026 114 V CB 1.428 33.491 31.823 0.400 0.000 1.080 114 V HN 0.481 nan 8.190 nan 0.000 0.444 115 P HA 0.190 nan 4.420 nan 0.000 0.268 115 P C 1.038 178.471 177.300 0.222 0.000 1.205 115 P CA 0.515 63.698 63.100 0.139 0.000 0.771 115 P CB 0.659 32.421 31.700 0.103 0.000 0.858 116 T N -1.529 113.131 114.554 0.178 0.000 2.962 116 T HA -0.087 4.271 4.350 0.013 0.000 0.270 116 T C 0.431 175.243 174.700 0.187 0.000 1.088 116 T CA 0.827 63.043 62.100 0.193 0.000 1.127 116 T CB -0.491 68.460 68.868 0.137 0.000 0.883 116 T HN 0.358 nan 8.240 nan 0.000 0.493 117 E N 2.346 122.657 120.200 0.185 0.000 2.001 117 E HA 0.378 4.735 4.350 0.013 0.000 0.279 117 E C -0.765 176.008 176.600 0.288 0.000 1.045 117 E CA -0.414 56.104 56.400 0.196 0.000 0.833 117 E CB 0.397 30.212 29.700 0.192 0.000 1.077 117 E HN 0.226 nan 8.360 nan 0.000 0.397 118 N N 4.437 123.285 118.700 0.247 0.000 2.576 118 N HA 0.263 5.011 4.740 0.013 0.000 0.269 118 N C -2.881 172.675 175.510 0.076 0.000 1.058 118 N CA -2.536 50.702 53.050 0.314 0.000 0.860 118 N CB 1.176 39.833 38.487 0.284 0.000 1.249 118 N HN 0.062 nan 8.380 nan 0.000 0.525 119 P HA 0.011 nan 4.420 nan 0.000 0.260 119 P C -0.780 176.451 177.300 -0.116 0.000 1.172 119 P CA 0.535 63.603 63.100 -0.054 0.000 0.760 119 P CB 0.403 32.387 31.700 0.473 0.000 0.773 120 T N 2.940 117.151 114.554 -0.572 0.000 2.809 120 T HA 0.531 4.888 4.350 0.013 0.000 0.284 120 T C 0.269 174.464 174.700 -0.842 0.000 0.992 120 T CA -0.520 61.297 62.100 -0.473 0.000 0.957 120 T CB 1.346 69.980 68.868 -0.390 0.000 0.942 120 T HN 0.340 nan 8.240 nan 0.000 0.439 121 G N 1.314 109.659 108.800 -0.758 0.000 2.347 121 G HA2 0.456 4.423 3.960 0.013 0.000 0.314 121 G HA3 0.456 4.423 3.960 0.013 0.000 0.314 121 G C -0.145 174.477 174.900 -0.463 0.000 1.126 121 G CA -0.343 44.185 45.100 -0.953 0.000 0.929 121 G HN 0.859 nan 8.290 nan 0.000 0.441 122 C N 3.528 122.312 119.300 -0.859 0.000 2.200 122 C HA 0.456 4.924 4.460 0.013 0.000 0.328 122 C C -0.404 174.513 174.990 -0.122 0.000 1.148 122 C CA -0.953 57.714 59.018 -0.586 0.000 1.624 122 C CB -1.822 25.114 27.740 -1.341 0.000 2.167 122 C HN 0.626 nan 8.230 nan 0.000 0.484 123 Y N 1.839 122.373 120.300 0.391 0.000 2.453 123 Y HA 0.671 5.228 4.550 0.013 0.000 0.326 123 Y C 0.808 177.152 175.900 0.741 0.000 1.186 123 Y CA -0.263 58.190 58.100 0.587 0.000 1.200 123 Y CB 1.414 40.218 38.460 0.573 0.000 1.247 123 Y HN 0.663 nan 8.280 nan 0.000 0.482 124 S N 1.587 117.800 115.700 0.855 0.000 2.588 124 S HA 0.818 5.295 4.470 0.013 0.000 0.269 124 S C -1.947 172.720 174.600 0.112 0.000 1.157 124 S CA -0.803 57.666 58.200 0.447 0.000 0.824 124 S CB 2.092 65.448 63.200 0.260 0.000 1.126 124 S HN 0.731 nan 8.310 nan 0.000 0.464 125 L N 0.626 121.749 121.223 -0.167 0.000 2.641 125 L HA 0.627 4.975 4.340 0.013 0.000 0.261 125 L C -1.286 175.539 176.870 -0.073 0.000 0.926 125 L CA 0.131 54.723 54.840 -0.414 0.000 0.917 125 L CB 2.054 43.287 42.059 -1.377 0.000 1.361 125 L HN 0.894 nan 8.230 nan 0.000 0.417 126 T N 5.918 120.452 114.554 -0.034 0.000 2.749 126 T HA 0.721 5.079 4.350 0.013 0.000 0.287 126 T C -0.666 174.093 174.700 0.097 0.000 0.970 126 T CA 0.063 62.180 62.100 0.028 0.000 0.980 126 T CB 0.052 68.899 68.868 -0.035 0.000 0.924 126 T HN 0.460 nan 8.240 nan 0.000 0.456 127 F N 1.375 121.224 119.950 -0.169 0.000 2.692 127 F HA 0.783 5.318 4.527 0.013 0.000 0.320 127 F C -0.654 175.068 175.800 -0.130 0.000 1.123 127 F CA -1.593 56.310 58.000 -0.161 0.000 0.961 127 F CB 1.391 40.273 39.000 -0.197 0.000 1.383 127 F HN 0.331 nan 8.300 nan 0.000 0.483 128 N N 0.112 118.689 118.700 -0.205 0.000 2.456 128 N HA 0.644 5.392 4.740 0.013 0.000 0.296 128 N C -1.983 173.371 175.510 -0.260 0.000 1.102 128 N CA -0.486 52.404 53.050 -0.266 0.000 0.924 128 N CB 2.027 40.431 38.487 -0.139 0.000 1.186 128 N HN 0.647 nan 8.380 nan 0.000 0.492 129 V N 2.308 122.051 119.914 -0.284 0.000 2.577 129 V HA 0.282 4.410 4.120 0.013 0.000 0.303 129 V C -0.770 175.194 176.094 -0.217 0.000 1.042 129 V CA -1.027 61.111 62.300 -0.270 0.000 0.872 129 V CB 1.639 33.369 31.823 -0.155 0.000 0.998 129 V HN 0.717 nan 8.190 nan 0.000 0.423 130 D N 3.217 123.437 120.400 -0.301 0.000 2.424 130 D HA 0.033 4.681 4.640 0.013 0.000 0.244 130 D C 0.985 177.282 176.300 -0.006 0.000 1.134 130 D CA 0.151 54.063 54.000 -0.148 0.000 0.881 130 D CB 1.965 42.677 40.800 -0.147 0.000 1.191 130 D HN 0.708 nan 8.370 nan 0.000 0.445 131 E N 1.301 121.508 120.200 0.011 0.000 2.114 131 E HA -0.257 4.101 4.350 0.013 0.000 0.199 131 E C 1.909 178.570 176.600 0.102 0.000 1.008 131 E CA 2.083 58.511 56.400 0.047 0.000 0.810 131 E CB 0.124 29.840 29.700 0.026 0.000 0.739 131 E HN 0.516 nan 8.360 nan 0.000 0.456 132 S N -0.545 115.226 115.700 0.118 0.000 2.387 132 S HA -0.221 4.257 4.470 0.013 0.000 0.230 132 S C 1.672 176.361 174.600 0.148 0.000 1.035 132 S CA 1.278 59.554 58.200 0.127 0.000 1.014 132 S CB -0.873 62.408 63.200 0.136 0.000 0.836 132 S HN 0.412 nan 8.310 nan 0.000 0.466 133 W N 1.618 122.849 121.300 -0.115 0.000 2.465 133 W HA 0.292 4.959 4.660 0.013 0.000 0.268 133 W C 1.953 178.537 176.519 0.108 0.000 1.242 133 W CA -0.023 57.246 57.345 -0.127 0.000 1.248 133 W CB -0.510 28.968 29.460 0.030 0.000 1.118 133 W HN 0.305 nan 8.180 nan 0.000 0.587 134 L N -0.303 121.097 121.223 0.295 0.000 2.554 134 L HA 0.006 4.353 4.340 0.013 0.000 0.225 134 L C 2.163 179.119 176.870 0.143 0.000 1.104 134 L CA 0.458 55.426 54.840 0.213 0.000 0.866 134 L CB -0.467 41.682 42.059 0.150 0.000 1.047 134 L HN -0.023 nan 8.230 nan 0.000 0.468 135 Q N 0.920 120.790 119.800 0.117 0.000 2.245 135 Q HA -0.040 4.308 4.340 0.013 0.000 0.201 135 Q C 0.267 176.315 176.000 0.080 0.000 0.955 135 Q CA 0.728 56.577 55.803 0.077 0.000 0.870 135 Q CB 0.363 29.133 28.738 0.053 0.000 0.945 135 Q HN 0.638 nan 8.270 nan 0.000 0.461 136 E N -1.467 118.804 120.200 0.118 0.000 2.437 136 E HA 0.492 4.849 4.350 0.013 0.000 0.280 136 E C -0.069 176.652 176.600 0.202 0.000 1.044 136 E CA -0.470 56.000 56.400 0.117 0.000 0.826 136 E CB 1.234 30.984 29.700 0.084 0.000 1.358 136 E HN 0.040 nan 8.360 nan 0.000 0.459 137 G N 0.737 109.586 108.800 0.081 0.000 2.601 137 G HA2 -0.311 3.656 3.960 0.013 0.000 0.261 137 G HA3 -0.311 3.656 3.960 0.013 0.000 0.261 137 G C -0.591 174.212 174.900 -0.162 0.000 1.289 137 G CA 0.392 45.449 45.100 -0.073 0.000 0.920 137 G HN 0.784 nan 8.290 nan 0.000 0.571 138 Q N -0.611 118.928 119.800 -0.436 0.000 2.365 138 Q HA 0.644 4.992 4.340 0.013 0.000 0.269 138 Q C -1.154 174.663 176.000 -0.305 0.000 1.061 138 Q CA -0.443 55.208 55.803 -0.254 0.000 0.816 138 Q CB 1.758 30.397 28.738 -0.164 0.000 1.325 138 Q HN 0.624 nan 8.270 nan 0.000 0.446 139 T N 4.513 119.071 114.554 0.007 0.000 2.786 139 T HA 0.503 4.861 4.350 0.013 0.000 0.283 139 T C -0.728 174.086 174.700 0.190 0.000 0.992 139 T CA -0.677 61.528 62.100 0.176 0.000 0.954 139 T CB 0.699 69.827 68.868 0.434 0.000 0.934 139 T HN 0.651 nan 8.240 nan 0.000 0.440 140 R N 2.828 123.428 120.500 0.167 0.000 2.854 140 R HA 0.791 5.139 4.340 0.013 0.000 0.271 140 R C -1.175 175.224 176.300 0.166 0.000 0.996 140 R CA -0.995 55.203 56.100 0.163 0.000 0.961 140 R CB 1.571 31.938 30.300 0.112 0.000 1.182 140 R HN 0.574 nan 8.270 nan 0.000 0.479 141 I N 2.206 122.877 120.570 0.169 0.000 2.460 141 I HA 0.450 4.628 4.170 0.013 0.000 0.298 141 I C -1.116 175.042 176.117 0.070 0.000 0.989 141 I CA -1.302 60.050 61.300 0.087 0.000 1.173 141 I CB 1.391 39.431 38.000 0.067 0.000 1.338 141 I HN 0.621 nan 8.210 nan 0.000 0.456 142 I N 7.193 127.694 120.570 -0.115 0.000 2.447 142 I HA 0.281 4.458 4.170 0.013 0.000 0.287 142 I C -1.287 174.666 176.117 -0.273 0.000 1.023 142 I CA -0.347 60.906 61.300 -0.079 0.000 1.083 142 I CB 1.486 39.459 38.000 -0.044 0.000 1.245 142 I HN 0.373 nan 8.210 nan 0.000 0.434 143 F N 4.579 124.529 119.950 -0.001 0.000 2.334 143 F HA 0.260 4.795 4.527 0.012 0.000 0.367 143 F C 1.362 177.067 175.800 -0.158 0.000 1.115 143 F CA -0.466 57.462 58.000 -0.120 0.000 1.116 143 F CB 0.633 39.514 39.000 -0.199 0.000 1.230 143 F HN 0.460 nan 8.300 nan 0.000 0.484 144 D N 2.353 122.675 120.400 -0.131 0.000 2.263 144 D HA 0.022 4.669 4.640 0.013 0.000 0.208 144 D C 1.008 177.149 176.300 -0.264 0.000 0.971 144 D CA 1.025 54.902 54.000 -0.205 0.000 0.867 144 D CB 0.307 40.926 40.800 -0.302 0.000 0.929 144 D HN 0.649 nan 8.370 nan 0.000 0.492 145 G N -0.749 107.855 108.800 -0.326 0.000 2.524 145 G HA2 0.406 4.374 3.960 0.013 0.000 0.306 145 G HA3 0.406 4.374 3.960 0.013 0.000 0.306 145 G C -1.572 173.126 174.900 -0.337 0.000 1.420 145 G CA -0.527 44.305 45.100 -0.447 0.000 1.086 145 G HN -0.045 nan 8.290 nan 0.000 0.591 146 V N 2.587 122.517 119.914 0.027 0.000 2.569 146 V HA 0.542 4.669 4.120 0.013 0.000 0.301 146 V C -0.847 175.372 176.094 0.208 0.000 1.044 146 V CA -1.191 61.139 62.300 0.050 0.000 0.874 146 V CB 1.999 33.664 31.823 -0.262 0.000 1.002 146 V HN 0.709 nan 8.190 nan 0.000 0.424 147 N N 2.262 121.057 118.700 0.157 0.000 2.417 147 N HA 0.326 5.074 4.740 0.013 0.000 0.274 147 N C 0.741 176.195 175.510 -0.094 0.000 0.987 147 N CA 0.176 53.210 53.050 -0.027 0.000 0.912 147 N CB 2.238 40.541 38.487 -0.306 0.000 1.177 147 N HN 0.705 nan 8.380 nan 0.000 0.490 148 S N 1.851 117.527 115.700 -0.040 0.000 2.502 148 S HA 0.524 5.002 4.470 0.013 0.000 0.215 148 S C 0.458 175.115 174.600 0.095 0.000 1.009 148 S CA 0.005 58.228 58.200 0.038 0.000 0.908 148 S CB 0.380 63.623 63.200 0.071 0.000 0.801 148 S HN 0.638 nan 8.310 nan 0.000 0.505 149 A N 0.805 123.693 122.820 0.113 0.000 2.606 149 A HA 0.791 5.118 4.320 0.013 0.000 0.293 149 A C -1.328 176.326 177.584 0.118 0.000 1.082 149 A CA -0.985 51.069 52.037 0.029 0.000 0.685 149 A CB 0.969 20.026 19.000 0.095 0.000 1.284 149 A HN 1.060 nan 8.150 nan 0.000 0.408 150 F N -0.741 119.025 119.950 -0.308 0.000 2.703 150 F HA 0.706 5.240 4.527 0.012 0.000 0.308 150 F C -1.177 174.510 175.800 -0.189 0.000 1.126 150 F CA -0.751 57.164 58.000 -0.142 0.000 0.959 150 F CB 1.008 39.907 39.000 -0.168 0.000 1.297 150 F HN 0.646 nan 8.300 nan 0.000 0.441 151 H N 1.785 121.020 119.070 0.276 0.000 2.533 151 H HA 0.740 5.304 4.556 0.013 0.000 0.343 151 H C -1.419 173.880 175.328 -0.048 0.000 1.160 151 H CA -0.748 55.319 56.048 0.032 0.000 1.218 151 H CB 2.550 32.281 29.762 -0.052 0.000 1.566 151 H HN 0.784 nan 8.280 nan 0.000 0.522 152 L N 2.399 123.385 121.223 -0.395 0.000 2.386 152 L HA 0.386 4.734 4.340 0.013 0.000 0.271 152 L C -1.662 174.866 176.870 -0.571 0.000 0.993 152 L CA -0.469 54.169 54.840 -0.337 0.000 0.819 152 L CB 1.546 43.332 42.059 -0.455 0.000 1.294 152 L HN 0.517 nan 8.230 nan 0.000 0.414 153 W N 4.505 125.757 121.300 -0.079 0.000 2.819 153 W HA 0.567 5.235 4.660 0.013 0.000 0.337 153 W C -1.108 175.342 176.519 -0.115 0.000 1.077 153 W CA -0.807 56.483 57.345 -0.092 0.000 1.226 153 W CB 2.024 31.470 29.460 -0.024 0.000 1.419 153 W HN 0.572 nan 8.180 nan 0.000 0.502 154 C N 4.797 124.160 119.300 0.106 0.000 2.408 154 C HA 0.325 4.792 4.460 0.013 0.000 0.321 154 C C 0.405 175.517 174.990 0.203 0.000 1.245 154 C CA -0.281 58.805 59.018 0.114 0.000 1.523 154 C CB -0.228 27.515 27.740 0.006 0.000 2.178 154 C HN 0.804 nan 8.230 nan 0.000 0.488 155 N N 3.501 122.281 118.700 0.133 0.000 2.716 155 N HA -0.192 4.555 4.740 0.013 0.000 0.250 155 N C 0.996 176.568 175.510 0.105 0.000 1.033 155 N CA 1.901 55.007 53.050 0.094 0.000 0.727 155 N CB -1.284 37.266 38.487 0.104 0.000 0.950 155 N HN 1.757 nan 8.380 nan 0.000 0.541 156 G N -1.230 107.614 108.800 0.073 0.000 2.212 156 G HA2 -0.376 3.592 3.960 0.013 0.000 0.266 156 G HA3 -0.376 3.592 3.960 0.013 0.000 0.266 156 G C 0.134 175.174 174.900 0.234 0.000 0.978 156 G CA 0.738 45.871 45.100 0.055 0.000 0.632 156 G HN 0.529 nan 8.290 nan 0.000 0.537 157 R N -0.921 119.789 120.500 0.350 0.000 2.407 157 R HA 0.369 4.716 4.340 0.013 0.000 0.303 157 R C -0.367 176.259 176.300 0.544 0.000 0.981 157 R CA -0.867 55.518 56.100 0.474 0.000 0.905 157 R CB 1.137 31.720 30.300 0.471 0.000 1.099 157 R HN 0.188 nan 8.270 nan 0.000 0.459 158 W N 3.894 125.394 121.300 0.334 0.000 2.381 158 W HA 0.034 4.701 4.660 0.012 0.000 0.321 158 W C 0.255 176.702 176.519 -0.120 0.000 1.407 158 W CA 0.153 57.417 57.345 -0.135 0.000 1.274 158 W CB 0.572 29.943 29.460 -0.148 0.000 1.310 158 W HN 0.358 nan 8.180 nan 0.000 0.551 159 V N 5.729 124.965 119.914 -1.130 0.000 2.627 159 V HA 0.518 4.646 4.120 0.013 0.000 0.239 159 V C 1.173 176.289 176.094 -1.630 0.000 1.077 159 V CA 1.172 62.758 62.300 -1.189 0.000 1.103 159 V CB -0.540 30.619 31.823 -1.107 0.000 0.802 159 V HN 0.797 nan 8.190 nan 0.000 0.482 160 G N -1.907 105.719 108.800 -1.956 0.000 2.341 160 G HA2 0.432 4.399 3.960 0.013 0.000 0.299 160 G HA3 0.432 4.399 3.960 0.013 0.000 0.299 160 G C -2.412 172.052 174.900 -0.727 0.000 1.274 160 G CA -0.285 43.977 45.100 -1.397 0.000 0.853 160 G HN -0.007 nan 8.290 nan 0.000 0.493 161 Y N -0.405 119.630 120.300 -0.441 0.000 2.553 161 Y HA 0.720 5.278 4.550 0.012 0.000 0.347 161 Y C 0.027 175.694 175.900 -0.389 0.000 1.019 161 Y CA 0.005 57.791 58.100 -0.524 0.000 1.032 161 Y CB 2.366 40.653 38.460 -0.288 0.000 1.284 161 Y HN 1.235 nan 8.280 nan 0.000 0.466 162 G N 3.537 111.497 108.800 -1.401 0.000 2.742 162 G HA2 0.559 4.526 3.960 0.013 0.000 0.296 162 G HA3 0.559 4.526 3.960 0.013 0.000 0.296 162 G C -2.160 172.205 174.900 -0.892 0.000 1.436 162 G CA -0.877 43.672 45.100 -0.917 0.000 0.928 162 G HN 0.605 nan 8.290 nan 0.000 0.520 163 Q N -0.178 119.372 119.800 -0.416 0.000 2.496 163 Q HA 0.611 4.959 4.340 0.013 0.000 0.286 163 Q C -1.348 174.636 176.000 -0.028 0.000 1.103 163 Q CA -0.807 54.897 55.803 -0.165 0.000 0.813 163 Q CB 2.704 31.399 28.738 -0.072 0.000 1.444 163 Q HN 0.652 nan 8.270 nan 0.000 0.443 164 D N -0.276 120.151 120.400 0.045 0.000 4.150 164 D HA -0.095 4.553 4.640 0.013 0.000 0.231 164 D C -0.534 175.828 176.300 0.105 0.000 1.129 164 D CA 0.439 54.485 54.000 0.078 0.000 1.005 164 D CB -0.759 40.075 40.800 0.056 0.000 0.691 164 D HN 0.522 nan 8.370 nan 0.000 0.320 165 S N 2.914 118.691 115.700 0.128 0.000 2.507 165 S HA -0.069 4.408 4.470 0.013 0.000 0.235 165 S C 1.567 176.305 174.600 0.231 0.000 0.988 165 S CA 0.528 58.839 58.200 0.185 0.000 0.944 165 S CB 0.244 63.519 63.200 0.124 0.000 0.762 165 S HN 0.451 nan 8.310 nan 0.000 0.526 166 R N 0.178 120.772 120.500 0.156 0.000 2.509 166 R HA 0.434 4.781 4.340 0.013 0.000 0.300 166 R C -0.335 176.021 176.300 0.094 0.000 0.985 166 R CA 0.049 56.237 56.100 0.146 0.000 1.092 166 R CB 0.111 30.514 30.300 0.171 0.000 1.237 166 R HN 0.335 nan 8.270 nan 0.000 0.546 167 L N 1.459 122.713 121.223 0.051 0.000 2.333 167 L HA 0.516 4.863 4.340 0.013 0.000 0.263 167 L C -2.334 174.519 176.870 -0.029 0.000 1.014 167 L CA -2.293 52.548 54.840 0.001 0.000 0.820 167 L CB 2.808 44.861 42.059 -0.011 0.000 1.352 167 L HN -0.198 nan 8.230 nan 0.000 0.421 168 P HA 0.105 nan 4.420 nan 0.000 0.271 168 P C -1.032 176.241 177.300 -0.045 0.000 1.218 168 P CA -0.240 62.822 63.100 -0.064 0.000 0.780 168 P CB 1.044 32.671 31.700 -0.123 0.000 0.901 169 S N 1.631 117.367 115.700 0.060 0.000 2.596 169 S HA 0.288 4.765 4.470 0.013 0.000 0.318 169 S C -0.501 174.105 174.600 0.011 0.000 1.097 169 S CA -0.633 57.584 58.200 0.029 0.000 1.080 169 S CB 0.700 64.107 63.200 0.345 0.000 0.991 169 S HN 0.362 nan 8.310 nan 0.000 0.471 170 E N 2.459 122.463 120.200 -0.328 0.000 2.187 170 E HA 0.550 4.908 4.350 0.013 0.000 0.268 170 E C -1.382 174.871 176.600 -0.578 0.000 0.896 170 E CA -0.575 55.687 56.400 -0.231 0.000 0.766 170 E CB 1.591 31.254 29.700 -0.062 0.000 1.142 170 E HN 0.391 nan 8.360 nan 0.000 0.408 171 F N 0.809 120.818 119.950 0.097 0.000 2.556 171 F HA 0.176 4.711 4.527 0.013 0.000 0.314 171 F C 0.084 175.914 175.800 0.049 0.000 1.106 171 F CA -1.142 56.881 58.000 0.038 0.000 0.911 171 F CB 1.651 40.645 39.000 -0.009 0.000 1.190 171 F HN 0.317 nan 8.300 nan 0.000 0.448 172 D N 3.334 123.859 120.400 0.209 0.000 2.338 172 D HA 0.172 4.820 4.640 0.013 0.000 0.255 172 D C 0.375 176.835 176.300 0.266 0.000 1.237 172 D CA 0.380 54.497 54.000 0.195 0.000 0.883 172 D CB 0.862 41.753 40.800 0.152 0.000 1.087 172 D HN 0.575 nan 8.370 nan 0.000 0.485 173 L N 2.859 124.243 121.223 0.269 0.000 2.607 173 L HA 0.021 4.369 4.340 0.013 0.000 0.228 173 L C 2.147 179.307 176.870 0.483 0.000 1.123 173 L CA -0.191 54.872 54.840 0.372 0.000 0.890 173 L CB -0.002 42.219 42.059 0.271 0.000 1.103 173 L HN 0.292 nan 8.230 nan 0.000 0.468 174 S N 1.379 117.272 115.700 0.322 0.000 2.393 174 S HA -0.317 4.161 4.470 0.013 0.000 0.234 174 S C 2.032 176.732 174.600 0.168 0.000 1.064 174 S CA 2.022 60.352 58.200 0.217 0.000 1.088 174 S CB -0.170 63.110 63.200 0.133 0.000 0.939 174 S HN 0.590 nan 8.310 nan 0.000 0.448 175 A N -0.650 122.236 122.820 0.109 0.000 2.208 175 A HA 0.293 4.621 4.320 0.013 0.000 0.209 175 A C 1.347 178.753 177.584 -0.296 0.000 1.161 175 A CA 0.415 52.370 52.037 -0.137 0.000 0.782 175 A CB -0.405 18.421 19.000 -0.291 0.000 0.816 175 A HN 0.490 nan 8.150 nan 0.000 0.477 176 F N -0.634 119.360 119.950 0.074 0.000 2.717 176 F HA 0.358 4.893 4.527 0.012 0.000 0.295 176 F C 0.766 176.602 175.800 0.060 0.000 1.117 176 F CA -0.176 57.866 58.000 0.069 0.000 1.361 176 F CB -0.049 39.001 39.000 0.084 0.000 1.112 176 F HN -0.018 nan 8.300 nan 0.000 0.594 177 L N 0.726 122.102 121.223 0.254 0.000 2.469 177 L HA 0.546 4.894 4.340 0.013 0.000 0.253 177 L C 0.050 176.959 176.870 0.065 0.000 1.143 177 L CA -0.769 54.159 54.840 0.147 0.000 0.804 177 L CB 0.972 43.128 42.059 0.163 0.000 1.214 177 L HN 0.028 nan 8.230 nan 0.000 0.476 178 R N 0.178 120.679 120.500 0.003 0.000 2.739 178 R HA 0.741 5.089 4.340 0.013 0.000 0.271 178 R C -1.231 175.043 176.300 -0.043 0.000 1.010 178 R CA -0.920 55.174 56.100 -0.009 0.000 0.897 178 R CB 1.318 31.607 30.300 -0.019 0.000 1.236 178 R HN 0.545 nan 8.270 nan 0.000 0.466 179 A N 1.409 124.212 122.820 -0.028 0.000 2.567 179 A HA 0.422 4.750 4.320 0.013 0.000 0.240 179 A C 1.213 178.747 177.584 -0.085 0.000 1.053 179 A CA 1.340 53.351 52.037 -0.044 0.000 0.755 179 A CB -1.042 17.944 19.000 -0.023 0.000 0.978 179 A HN 1.506 nan 8.150 nan 0.000 0.507 180 G N 1.740 110.471 108.800 -0.115 0.000 2.554 180 G HA2 -0.194 3.773 3.960 0.013 0.000 0.253 180 G HA3 -0.194 3.773 3.960 0.013 0.000 0.253 180 G C -0.018 174.750 174.900 -0.220 0.000 1.172 180 G CA 0.279 45.295 45.100 -0.140 0.000 0.950 180 G HN 1.029 nan 8.290 nan 0.000 0.557 181 E N 1.953 122.032 120.200 -0.201 0.000 2.257 181 E HA 0.404 4.761 4.350 0.013 0.000 0.278 181 E C -0.062 176.342 176.600 -0.327 0.000 1.049 181 E CA -0.157 56.087 56.400 -0.260 0.000 0.876 181 E CB 0.268 29.868 29.700 -0.167 0.000 1.035 181 E HN 0.406 nan 8.360 nan 0.000 0.419 182 N N 2.822 121.180 118.700 -0.571 0.000 2.405 182 N HA 0.399 5.147 4.740 0.013 0.000 0.285 182 N C -1.002 174.247 175.510 -0.436 0.000 1.262 182 N CA -0.721 51.980 53.050 -0.581 0.000 0.773 182 N CB 2.152 40.121 38.487 -0.863 0.000 1.490 182 N HN 0.297 nan 8.380 nan 0.000 0.486 183 R N 1.537 121.967 120.500 -0.117 0.000 2.502 183 R HA 0.446 4.794 4.340 0.013 0.000 0.300 183 R C -1.162 175.227 176.300 0.147 0.000 0.984 183 R CA -0.473 55.657 56.100 0.049 0.000 0.882 183 R CB 1.024 31.301 30.300 -0.038 0.000 1.180 183 R HN 0.505 nan 8.270 nan 0.000 0.444 184 L N 2.841 124.183 121.223 0.198 0.000 2.357 184 L HA 0.678 5.026 4.340 0.013 0.000 0.273 184 L C -0.076 176.832 176.870 0.063 0.000 1.080 184 L CA -0.848 54.083 54.840 0.152 0.000 0.803 184 L CB 1.790 43.912 42.059 0.106 0.000 1.174 184 L HN 0.707 nan 8.230 nan 0.000 0.443 185 A N 2.914 125.771 122.820 0.062 0.000 2.357 185 A HA 0.680 5.007 4.320 0.013 0.000 0.295 185 A C -0.964 176.837 177.584 0.363 0.000 1.121 185 A CA -0.425 51.515 52.037 -0.162 0.000 0.742 185 A CB 1.393 19.778 19.000 -1.026 0.000 1.181 185 A HN 0.370 nan 8.150 nan 0.000 0.454 186 V N 3.703 124.012 119.914 0.658 0.000 2.350 186 V HA 0.425 4.553 4.120 0.013 0.000 0.285 186 V C 0.012 176.623 176.094 0.862 0.000 1.014 186 V CA -0.228 62.461 62.300 0.648 0.000 0.831 186 V CB 1.283 33.289 31.823 0.306 0.000 1.000 186 V HN 0.951 nan 8.190 nan 0.000 0.433 187 M N 6.229 126.378 119.600 0.916 0.000 2.055 187 M HA 0.525 5.013 4.480 0.013 0.000 0.347 187 M C -1.329 175.238 176.300 0.445 0.000 1.123 187 M CA -0.364 55.315 55.300 0.632 0.000 1.035 187 M CB 1.052 34.087 32.600 0.725 0.000 1.484 187 M HN 0.457 nan 8.290 nan 0.000 0.428 188 V N 6.887 127.009 119.914 0.348 0.000 2.370 188 V HA 0.354 4.481 4.120 0.013 0.000 0.279 188 V C -0.091 176.171 176.094 0.280 0.000 1.029 188 V CA -0.676 61.837 62.300 0.355 0.000 0.870 188 V CB 1.242 33.355 31.823 0.485 0.000 0.984 188 V HN 0.781 nan 8.190 nan 0.000 0.451 189 L N 5.104 126.430 121.223 0.171 0.000 2.276 189 L HA 0.499 4.846 4.340 0.013 0.000 0.286 189 L C 1.608 178.509 176.870 0.051 0.000 1.061 189 L CA -0.347 54.526 54.840 0.055 0.000 0.807 189 L CB 0.766 42.752 42.059 -0.122 0.000 1.177 189 L HN 0.657 nan 8.230 nan 0.000 0.429 190 R N 3.167 123.655 120.500 -0.020 0.000 2.096 190 R HA -0.062 4.286 4.340 0.013 0.000 0.235 190 R C -0.355 175.605 176.300 -0.565 0.000 1.127 190 R CA 1.198 57.039 56.100 -0.431 0.000 0.968 190 R CB 0.217 30.159 30.300 -0.597 0.000 0.861 190 R HN 0.590 nan 8.270 nan 0.000 0.440 191 W N 0.386 121.755 121.300 0.115 0.000 2.666 191 W HA 0.431 5.099 4.660 0.012 0.000 0.334 191 W C -0.450 176.192 176.519 0.204 0.000 1.051 191 W CA -0.835 56.586 57.345 0.127 0.000 1.224 191 W CB 1.855 31.394 29.460 0.132 0.000 1.405 191 W HN 0.013 nan 8.180 nan 0.000 0.513 192 S N -1.060 114.935 115.700 0.493 0.000 2.672 192 S HA 0.200 4.678 4.470 0.013 0.000 0.271 192 S C 0.067 174.935 174.600 0.447 0.000 1.171 192 S CA -0.521 57.981 58.200 0.503 0.000 0.817 192 S CB 1.203 64.662 63.200 0.433 0.000 1.150 192 S HN 0.627 nan 8.310 nan 0.000 0.478 193 D N 0.405 121.057 120.400 0.421 0.000 2.263 193 D HA 0.064 4.712 4.640 0.013 0.000 0.208 193 D C 1.760 178.370 176.300 0.515 0.000 0.971 193 D CA 1.156 55.441 54.000 0.475 0.000 0.867 193 D CB -0.664 40.265 40.800 0.215 0.000 0.929 193 D HN 0.690 nan 8.370 nan 0.000 0.492 194 G N 0.256 109.276 108.800 0.368 0.000 2.432 194 G HA2 -0.270 3.698 3.960 0.013 0.000 0.219 194 G HA3 -0.270 3.698 3.960 0.013 0.000 0.219 194 G C 1.721 176.810 174.900 0.316 0.000 1.135 194 G CA 0.754 46.042 45.100 0.313 0.000 0.767 194 G HN 0.312 nan 8.290 nan 0.000 0.550 195 S N 0.188 116.070 115.700 0.303 0.000 2.387 195 S HA -0.170 4.308 4.470 0.013 0.000 0.230 195 S C 1.957 176.666 174.600 0.181 0.000 1.035 195 S CA 1.107 59.453 58.200 0.243 0.000 1.014 195 S CB -0.483 62.876 63.200 0.265 0.000 0.836 195 S HN 0.537 nan 8.310 nan 0.000 0.466 196 Y N 1.333 121.728 120.300 0.159 0.000 2.403 196 Y HA 0.024 4.581 4.550 0.012 0.000 0.291 196 Y C 1.678 177.664 175.900 0.144 0.000 1.143 196 Y CA 0.671 58.762 58.100 -0.014 0.000 1.257 196 Y CB -0.325 38.008 38.460 -0.211 0.000 0.984 196 Y HN 0.211 nan 8.280 nan 0.000 0.550 197 L N -0.424 120.991 121.223 0.320 0.000 2.628 197 L HA 0.116 4.464 4.340 0.013 0.000 0.229 197 L C 0.074 177.088 176.870 0.240 0.000 1.137 197 L CA 0.388 55.377 54.840 0.249 0.000 0.909 197 L CB 0.028 42.235 42.059 0.246 0.000 1.137 197 L HN 0.127 nan 8.230 nan 0.000 0.470 198 E N 0.149 120.505 120.200 0.260 0.000 3.582 198 E HA 0.045 4.403 4.350 0.013 0.000 0.217 198 E C -0.481 176.237 176.600 0.196 0.000 1.092 198 E CA -0.087 56.450 56.400 0.228 0.000 1.365 198 E CB 0.445 30.267 29.700 0.203 0.000 1.278 198 E HN 0.032 nan 8.360 nan 0.000 0.439 199 D N 1.189 121.669 120.400 0.133 0.000 2.706 199 D HA 0.033 4.681 4.640 0.013 0.000 0.236 199 D C -0.280 176.002 176.300 -0.031 0.000 1.231 199 D CA -0.150 53.813 54.000 -0.062 0.000 0.828 199 D CB 0.141 40.658 40.800 -0.472 0.000 1.015 199 D HN 0.061 nan 8.370 nan 0.000 0.484 200 Q N 0.391 120.270 119.800 0.131 0.000 2.373 200 Q HA 0.147 4.495 4.340 0.013 0.000 0.255 200 Q C -0.111 175.995 176.000 0.176 0.000 0.980 200 Q CA -0.066 55.881 55.803 0.239 0.000 0.882 200 Q CB 0.652 29.700 28.738 0.515 0.000 1.249 200 Q HN 0.045 nan 8.270 nan 0.000 0.438 201 D N 2.956 123.481 120.400 0.208 0.000 2.441 201 D HA 0.161 4.808 4.640 0.013 0.000 0.243 201 D C -0.730 175.708 176.300 0.230 0.000 1.257 201 D CA 0.186 54.292 54.000 0.176 0.000 1.027 201 D CB -0.455 40.462 40.800 0.194 0.000 1.084 201 D HN 0.518 nan 8.370 nan 0.000 0.514 202 M N 0.287 119.992 119.600 0.176 0.000 3.472 202 M HA 0.387 4.874 4.480 0.013 0.000 0.293 202 M C -1.381 175.005 176.300 0.143 0.000 1.316 202 M CA -1.157 54.187 55.300 0.074 0.000 0.857 202 M CB 1.088 33.626 32.600 -0.104 0.000 1.708 202 M HN -0.084 nan 8.290 nan 0.000 0.505 203 W N 2.091 123.479 121.300 0.147 0.000 2.251 203 W HA 0.345 5.012 4.660 0.013 0.000 0.327 203 W C 0.201 176.732 176.519 0.021 0.000 1.361 203 W CA -0.103 57.311 57.345 0.115 0.000 1.234 203 W CB 0.417 29.884 29.460 0.012 0.000 1.212 203 W HN 0.267 nan 8.180 nan 0.000 0.557 204 R N 5.124 125.793 120.500 0.281 0.000 2.235 204 R HA 0.360 4.708 4.340 0.013 0.000 0.338 204 R C -0.142 176.156 176.300 -0.003 0.000 1.087 204 R CA -0.101 56.081 56.100 0.137 0.000 0.948 204 R CB -0.093 30.351 30.300 0.240 0.000 1.099 204 R HN 0.565 nan 8.270 nan 0.000 0.483 205 M N 0.103 119.597 119.600 -0.177 0.000 2.792 205 M HA 0.521 5.009 4.480 0.013 0.000 0.290 205 M C 0.111 176.061 176.300 -0.584 0.000 1.155 205 M CA -0.817 54.261 55.300 -0.370 0.000 0.781 205 M CB 2.099 34.483 32.600 -0.359 0.000 1.741 205 M HN 0.564 nan 8.290 nan 0.000 0.473 206 S N -1.245 113.976 115.700 -0.799 0.000 2.615 206 S HA 0.957 5.435 4.470 0.013 0.000 0.269 206 S C -0.593 173.512 174.600 -0.824 0.000 1.161 206 S CA -0.189 57.444 58.200 -0.945 0.000 0.817 206 S CB 1.747 64.161 63.200 -1.310 0.000 1.131 206 S HN 1.481 nan 8.310 nan 0.000 0.467 207 G N -0.056 108.505 108.800 -0.398 0.000 2.353 207 G HA2 0.154 4.122 3.960 0.013 0.000 0.615 207 G HA3 0.154 4.122 3.960 0.013 0.000 0.615 207 G C -1.328 173.591 174.900 0.032 0.000 1.280 207 G CA -0.617 44.568 45.100 0.141 0.000 1.000 207 G HN 1.166 nan 8.290 nan 0.000 0.516 208 I N 1.980 122.394 120.570 -0.260 0.000 2.241 208 I HA 0.269 4.447 4.170 0.013 0.000 0.294 208 I C 1.210 177.205 176.117 -0.203 0.000 1.145 208 I CA -0.197 60.864 61.300 -0.399 0.000 1.261 208 I CB -0.178 37.327 38.000 -0.826 0.000 1.475 208 I HN 0.512 nan 8.210 nan 0.000 0.533 209 F N 4.291 124.097 119.950 -0.240 0.000 2.727 209 F HA 0.455 4.990 4.527 0.012 0.000 0.302 209 F C 0.690 176.408 175.800 -0.136 0.000 1.097 209 F CA -0.537 57.352 58.000 -0.184 0.000 1.330 209 F CB 0.090 38.985 39.000 -0.174 0.000 1.084 209 F HN 0.142 nan 8.300 nan 0.000 0.578 210 R N 0.343 120.392 120.500 -0.752 0.000 2.930 210 R HA 0.245 4.593 4.340 0.013 0.000 0.257 210 R C -0.757 175.327 176.300 -0.359 0.000 1.107 210 R CA -1.165 54.605 56.100 -0.549 0.000 0.999 210 R CB 0.704 30.614 30.300 -0.651 0.000 1.209 210 R HN -0.044 nan 8.270 nan 0.000 0.486 211 D N 0.778 121.016 120.400 -0.270 0.000 2.478 211 D HA 0.071 4.719 4.640 0.013 0.000 0.234 211 D C -0.541 175.614 176.300 -0.242 0.000 1.154 211 D CA 0.535 54.416 54.000 -0.199 0.000 0.874 211 D CB 0.636 41.353 40.800 -0.138 0.000 1.198 211 D HN -0.002 nan 8.370 nan 0.000 0.455 212 V N 1.355 121.135 119.914 -0.223 0.000 2.540 212 V HA 0.569 4.696 4.120 0.013 0.000 0.302 212 V C 0.132 176.101 176.094 -0.209 0.000 1.035 212 V CA -0.589 61.520 62.300 -0.319 0.000 0.873 212 V CB 1.605 33.237 31.823 -0.318 0.000 0.992 212 V HN 0.740 nan 8.190 nan 0.000 0.428 213 S N 4.440 119.995 115.700 -0.241 0.000 2.651 213 S HA 0.893 5.370 4.470 0.013 0.000 0.279 213 S C -1.424 173.121 174.600 -0.092 0.000 1.148 213 S CA -0.871 57.257 58.200 -0.119 0.000 0.837 213 S CB 2.225 65.392 63.200 -0.054 0.000 1.138 213 S HN 0.479 nan 8.310 nan 0.000 0.478 214 L N 1.283 122.517 121.223 0.019 0.000 2.381 214 L HA 0.765 5.113 4.340 0.013 0.000 0.274 214 L C -1.515 175.536 176.870 0.301 0.000 0.988 214 L CA -0.722 54.200 54.840 0.136 0.000 0.824 214 L CB 1.582 43.715 42.059 0.124 0.000 1.263 214 L HN 0.859 nan 8.230 nan 0.000 0.410 215 L N 4.322 125.704 121.223 0.265 0.000 2.362 215 L HA 0.517 4.864 4.340 0.013 0.000 0.275 215 L C -1.094 175.801 176.870 0.041 0.000 0.998 215 L CA -0.204 54.736 54.840 0.166 0.000 0.820 215 L CB 1.319 43.428 42.059 0.083 0.000 1.270 215 L HN 0.629 nan 8.230 nan 0.000 0.415 216 H N 5.338 124.194 119.070 -0.356 0.000 2.552 216 H HA 0.466 5.029 4.556 0.013 0.000 0.311 216 H C -1.220 173.895 175.328 -0.355 0.000 1.071 216 H CA -0.488 55.205 56.048 -0.592 0.000 1.307 216 H CB 1.043 29.932 29.762 -1.455 0.000 1.416 216 H HN 0.533 nan 8.280 nan 0.000 0.464 217 K N 5.298 125.283 120.400 -0.691 0.000 2.395 217 K HA 0.393 4.720 4.320 0.013 0.000 0.247 217 K C -2.716 173.614 176.600 -0.451 0.000 0.973 217 K CA -2.032 54.005 56.287 -0.416 0.000 0.828 217 K CB 2.214 34.546 32.500 -0.281 0.000 1.272 217 K HN 0.475 nan 8.250 nan 0.000 0.439 218 P HA 0.193 nan 4.420 nan 0.000 0.276 218 P C 0.487 177.708 177.300 -0.132 0.000 1.252 218 P CA -0.228 62.794 63.100 -0.130 0.000 0.802 218 P CB 0.470 32.135 31.700 -0.059 0.000 1.035 219 T N -1.081 113.424 114.554 -0.083 0.000 2.684 219 T HA -0.065 4.293 4.350 0.013 0.000 0.267 219 T C 0.652 175.311 174.700 -0.067 0.000 1.036 219 T CA 1.658 63.718 62.100 -0.067 0.000 1.148 219 T CB -0.676 68.172 68.868 -0.034 0.000 0.863 219 T HN 0.418 nan 8.240 nan 0.000 0.436 220 T N 3.779 118.299 114.554 -0.055 0.000 2.747 220 T HA 0.425 4.783 4.350 0.013 0.000 0.301 220 T C -0.163 174.491 174.700 -0.077 0.000 0.952 220 T CA -0.555 61.505 62.100 -0.065 0.000 0.983 220 T CB 0.409 69.259 68.868 -0.030 0.000 0.930 220 T HN 0.485 nan 8.240 nan 0.000 0.494 221 Q N 2.632 122.371 119.800 -0.103 0.000 2.626 221 Q HA 0.573 4.921 4.340 0.013 0.000 0.300 221 Q C -1.225 174.705 176.000 -0.116 0.000 0.988 221 Q CA -1.153 54.578 55.803 -0.120 0.000 0.761 221 Q CB 1.252 29.896 28.738 -0.157 0.000 1.494 221 Q HN 0.431 nan 8.270 nan 0.000 0.439 222 I N 2.780 123.251 120.570 -0.166 0.000 2.421 222 I HA 0.007 4.185 4.170 0.013 0.000 0.291 222 I C 0.852 176.878 176.117 -0.152 0.000 1.089 222 I CA 0.076 61.296 61.300 -0.133 0.000 1.354 222 I CB 1.054 38.921 38.000 -0.222 0.000 1.413 222 I HN 0.854 nan 8.210 nan 0.000 0.513 223 S N 2.976 118.703 115.700 0.045 0.000 2.517 223 S HA 0.162 4.640 4.470 0.013 0.000 0.214 223 S C 0.223 175.062 174.600 0.400 0.000 0.991 223 S CA -0.190 58.115 58.200 0.175 0.000 0.906 223 S CB 0.203 63.458 63.200 0.092 0.000 0.789 223 S HN 0.729 nan 8.310 nan 0.000 0.513 224 D N -0.454 120.184 120.400 0.397 0.000 2.798 224 D HA 0.467 5.115 4.640 0.013 0.000 0.265 224 D C -1.908 174.613 176.300 0.369 0.000 1.223 224 D CA -0.765 53.481 54.000 0.410 0.000 0.743 224 D CB 1.042 41.942 40.800 0.166 0.000 1.276 224 D HN 0.225 nan 8.370 nan 0.000 0.421 225 F N -0.844 119.162 119.950 0.094 0.000 2.672 225 F HA 0.608 5.143 4.527 0.013 0.000 0.311 225 F C -1.621 174.219 175.800 0.067 0.000 1.113 225 F CA -0.837 57.150 58.000 -0.023 0.000 0.996 225 F CB 1.127 40.166 39.000 0.065 0.000 1.286 225 F HN 0.265 nan 8.300 nan 0.000 0.441 226 H N 1.738 120.854 119.070 0.077 0.000 2.538 226 H HA 0.756 5.320 4.556 0.013 0.000 0.353 226 H C -1.283 174.068 175.328 0.038 0.000 1.109 226 H CA -1.542 54.487 56.048 -0.032 0.000 1.192 226 H CB 2.608 32.344 29.762 -0.044 0.000 1.555 226 H HN 0.609 nan 8.280 nan 0.000 0.518 227 V N 2.240 122.232 119.914 0.130 0.000 2.417 227 V HA 0.663 4.791 4.120 0.013 0.000 0.291 227 V C -0.172 175.914 176.094 -0.014 0.000 1.024 227 V CA -0.551 61.790 62.300 0.068 0.000 0.861 227 V CB 1.248 33.111 31.823 0.068 0.000 0.985 227 V HN 0.945 nan 8.190 nan 0.000 0.436 228 A N 3.326 126.119 122.820 -0.044 0.000 2.413 228 A HA 0.957 5.284 4.320 0.013 0.000 0.307 228 A C -0.137 177.350 177.584 -0.161 0.000 1.087 228 A CA -0.524 51.465 52.037 -0.079 0.000 0.750 228 A CB 1.987 20.963 19.000 -0.040 0.000 1.296 228 A HN 0.923 nan 8.150 nan 0.000 0.423 229 T N -0.152 114.293 114.554 -0.181 0.000 2.890 229 T HA 0.720 5.077 4.350 0.013 0.000 0.295 229 T C -0.585 173.931 174.700 -0.306 0.000 0.993 229 T CA -0.651 61.262 62.100 -0.312 0.000 0.979 229 T CB 0.865 69.474 68.868 -0.432 0.000 0.967 229 T HN 0.684 nan 8.240 nan 0.000 0.441 230 R N 2.025 122.257 120.500 -0.447 0.000 2.711 230 R HA 0.784 5.131 4.340 0.013 0.000 0.284 230 R C -1.165 174.721 176.300 -0.690 0.000 0.968 230 R CA -0.728 55.171 56.100 -0.336 0.000 0.924 230 R CB 1.653 31.871 30.300 -0.136 0.000 1.162 230 R HN 0.547 nan 8.270 nan 0.000 0.465 231 F N 0.596 120.528 119.950 -0.031 0.000 2.598 231 F HA 0.365 4.898 4.527 0.011 0.000 0.327 231 F C 0.520 176.182 175.800 -0.230 0.000 1.057 231 F CA -1.062 56.860 58.000 -0.131 0.000 0.957 231 F CB 1.186 39.971 39.000 -0.358 0.000 1.278 231 F HN 0.538 nan 8.300 nan 0.000 0.484 232 N N 0.086 118.765 118.700 -0.034 0.000 2.379 232 N HA 0.045 4.792 4.740 0.013 0.000 0.260 232 N C 0.500 175.876 175.510 -0.224 0.000 1.254 232 N CA -0.213 52.783 53.050 -0.090 0.000 0.958 232 N CB 0.182 38.645 38.487 -0.040 0.000 1.208 232 N HN 0.671 nan 8.380 nan 0.000 0.532 233 D N -0.728 119.583 120.400 -0.148 0.000 2.172 233 D HA -0.279 4.368 4.640 0.013 0.000 0.196 233 D C 0.396 176.612 176.300 -0.139 0.000 0.999 233 D CA 1.882 55.796 54.000 -0.143 0.000 0.856 233 D CB -0.573 40.202 40.800 -0.041 0.000 0.934 233 D HN 0.766 nan 8.370 nan 0.000 0.453 234 D N -1.641 118.731 120.400 -0.047 0.000 2.402 234 D HA 0.016 4.663 4.640 0.013 0.000 0.216 234 D C 0.146 176.629 176.300 0.304 0.000 1.128 234 D CA -0.894 53.189 54.000 0.139 0.000 0.833 234 D CB -1.022 39.855 40.800 0.127 0.000 0.971 234 D HN 0.233 nan 8.370 nan 0.000 0.503 235 F N 0.525 120.542 119.950 0.111 0.000 3.057 235 F HA -0.283 4.252 4.527 0.012 0.000 0.287 235 F C 1.531 177.421 175.800 0.151 0.000 0.834 235 F CA 0.820 58.908 58.000 0.147 0.000 1.147 235 F CB -2.494 36.490 39.000 -0.027 0.000 1.245 235 F HN 0.194 nan 8.300 nan 0.000 0.509 236 S N -1.474 114.354 115.700 0.214 0.000 2.524 236 S HA 0.303 4.780 4.470 0.013 0.000 0.216 236 S C 0.643 175.307 174.600 0.106 0.000 0.987 236 S CA -0.088 58.199 58.200 0.146 0.000 0.909 236 S CB 0.468 63.725 63.200 0.094 0.000 0.781 236 S HN 0.456 nan 8.310 nan 0.000 0.521 237 R N 0.143 120.710 120.500 0.112 0.000 2.725 237 R HA 0.827 5.175 4.340 0.013 0.000 0.277 237 R C -1.304 175.021 176.300 0.042 0.000 0.987 237 R CA -0.401 55.725 56.100 0.044 0.000 0.901 237 R CB 2.227 32.527 30.300 0.000 0.000 1.207 237 R HN 0.242 nan 8.270 nan 0.000 0.463 238 A N 1.317 124.097 122.820 -0.066 0.000 2.566 238 A HA 0.750 5.078 4.320 0.013 0.000 0.292 238 A C -1.464 176.030 177.584 -0.150 0.000 1.112 238 A CA -0.657 51.246 52.037 -0.223 0.000 0.707 238 A CB 2.131 20.973 19.000 -0.263 0.000 1.302 238 A HN 0.331 nan 8.150 nan 0.000 0.409 239 V N 1.308 121.106 119.914 -0.193 0.000 2.531 239 V HA 0.447 4.574 4.120 0.013 0.000 0.301 239 V C -0.666 175.367 176.094 -0.102 0.000 1.034 239 V CA -0.359 61.874 62.300 -0.111 0.000 0.865 239 V CB 1.482 33.239 31.823 -0.110 0.000 0.995 239 V HN 0.814 nan 8.190 nan 0.000 0.424 240 L N 5.092 126.294 121.223 -0.035 0.000 2.275 240 L HA 0.590 4.938 4.340 0.013 0.000 0.288 240 L C -0.087 176.744 176.870 -0.065 0.000 1.046 240 L CA 0.082 54.880 54.840 -0.070 0.000 0.805 240 L CB 0.838 42.890 42.059 -0.012 0.000 1.193 240 L HN 0.648 nan 8.230 nan 0.000 0.426 241 E N 4.649 124.805 120.200 -0.073 0.000 2.176 241 E HA 0.608 4.966 4.350 0.013 0.000 0.267 241 E C -1.154 175.437 176.600 -0.015 0.000 0.893 241 E CA -0.798 55.577 56.400 -0.042 0.000 0.761 241 E CB 2.084 31.761 29.700 -0.037 0.000 1.133 241 E HN 0.674 nan 8.360 nan 0.000 0.409 242 A N 3.532 126.352 122.820 -0.001 0.000 2.332 242 A HA 0.294 4.622 4.320 0.013 0.000 0.300 242 A C -0.578 177.015 177.584 0.015 0.000 1.153 242 A CA -0.647 51.414 52.037 0.040 0.000 0.764 242 A CB 0.969 20.000 19.000 0.051 0.000 1.174 242 A HN 0.663 nan 8.150 nan 0.000 0.467 243 E N 2.747 122.959 120.200 0.019 0.000 2.146 243 E HA 0.538 4.895 4.350 0.013 0.000 0.282 243 E C -1.337 175.229 176.600 -0.056 0.000 0.989 243 E CA -0.359 56.011 56.400 -0.049 0.000 0.799 243 E CB 1.103 30.749 29.700 -0.089 0.000 1.088 243 E HN 0.384 nan 8.360 nan 0.000 0.397 244 V N 4.803 124.700 119.914 -0.029 0.000 2.555 244 V HA 0.307 4.434 4.120 0.013 0.000 0.302 244 V C -0.387 175.782 176.094 0.126 0.000 1.038 244 V CA -0.823 61.506 62.300 0.048 0.000 0.887 244 V CB 1.644 33.479 31.823 0.019 0.000 0.991 244 V HN 0.729 nan 8.190 nan 0.000 0.434 245 Q N 4.239 124.122 119.800 0.137 0.000 2.345 245 Q HA 0.863 5.211 4.340 0.013 0.000 0.268 245 Q C -0.929 175.152 176.000 0.134 0.000 1.054 245 Q CA -0.935 54.952 55.803 0.140 0.000 0.835 245 Q CB 2.727 31.476 28.738 0.018 0.000 1.339 245 Q HN 0.804 nan 8.270 nan 0.000 0.447 246 M N -0.949 118.655 119.600 0.006 0.000 2.690 246 M HA 0.771 5.259 4.480 0.013 0.000 0.302 246 M C -1.318 174.898 176.300 -0.139 0.000 1.234 246 M CA -0.562 54.666 55.300 -0.119 0.000 0.853 246 M CB 1.704 34.040 32.600 -0.440 0.000 1.748 246 M HN 0.556 nan 8.290 nan 0.000 0.469 247 C N 0.545 119.771 119.300 -0.124 0.000 2.707 247 C HA 1.014 5.482 4.460 0.013 0.000 0.313 247 C C 0.722 175.642 174.990 -0.116 0.000 1.209 247 C CA 0.794 59.754 59.018 -0.095 0.000 1.635 247 C CB 1.096 28.805 27.740 -0.050 0.000 2.206 247 C HN 1.412 nan 8.230 nan 0.000 0.485 248 G N 1.698 110.440 108.800 -0.097 0.000 2.418 248 G HA2 -0.097 3.870 3.960 0.013 0.000 0.206 248 G HA3 -0.097 3.870 3.960 0.013 0.000 0.206 248 G C -0.526 174.315 174.900 -0.099 0.000 1.202 248 G CA -0.285 44.764 45.100 -0.086 0.000 1.061 248 G HN 0.887 nan 8.290 nan 0.000 0.563 249 E N 0.901 121.052 120.200 -0.081 0.000 1.985 249 E HA 0.314 4.672 4.350 0.013 0.000 0.268 249 E C 0.237 176.753 176.600 -0.140 0.000 1.219 249 E CA -0.269 56.087 56.400 -0.074 0.000 0.942 249 E CB -0.190 29.503 29.700 -0.012 0.000 1.045 249 E HN 0.386 nan 8.360 nan 0.000 0.413 250 L N 5.755 126.872 121.223 -0.176 0.000 2.315 250 L HA 0.268 4.616 4.340 0.013 0.000 0.283 250 L C -0.122 176.592 176.870 -0.260 0.000 1.089 250 L CA 0.011 54.702 54.840 -0.249 0.000 0.833 250 L CB 0.120 42.051 42.059 -0.213 0.000 1.170 250 L HN 0.446 nan 8.230 nan 0.000 0.442 251 R N 2.529 122.786 120.500 -0.405 0.000 2.774 251 R HA 0.200 4.547 4.340 0.013 0.000 0.272 251 R C -0.117 175.854 176.300 -0.549 0.000 1.000 251 R CA -0.843 54.927 56.100 -0.550 0.000 0.906 251 R CB 1.303 30.936 30.300 -1.112 0.000 1.227 251 R HN 0.465 nan 8.270 nan 0.000 0.468 252 D N 0.820 121.001 120.400 -0.365 0.000 2.182 252 D HA -0.163 4.484 4.640 0.013 0.000 0.201 252 D C 1.560 177.781 176.300 -0.132 0.000 0.986 252 D CA 1.675 55.571 54.000 -0.173 0.000 0.847 252 D CB -0.005 40.752 40.800 -0.072 0.000 0.942 252 D HN 0.564 nan 8.370 nan 0.000 0.467 253 Y N -0.270 120.042 120.300 0.020 0.000 2.583 253 Y HA 0.233 4.791 4.550 0.013 0.000 0.293 253 Y C 0.629 176.540 175.900 0.018 0.000 1.157 253 Y CA -0.389 57.723 58.100 0.019 0.000 1.315 253 Y CB -1.036 37.435 38.460 0.017 0.000 1.021 253 Y HN -0.166 nan 8.280 nan 0.000 0.536 254 L N 2.562 123.743 121.223 -0.070 0.000 2.439 254 L HA 0.336 4.683 4.340 0.013 0.000 0.269 254 L C 0.197 177.109 176.870 0.069 0.000 1.179 254 L CA -0.173 54.727 54.840 0.100 0.000 0.828 254 L CB 0.520 42.628 42.059 0.081 0.000 1.106 254 L HN 0.145 nan 8.230 nan 0.000 0.467 255 R N 1.712 122.144 120.500 -0.113 0.000 2.764 255 R HA 0.685 5.032 4.340 0.013 0.000 0.270 255 R C -1.504 174.505 176.300 -0.485 0.000 1.014 255 R CA -0.815 55.081 56.100 -0.341 0.000 0.904 255 R CB 2.087 32.101 30.300 -0.477 0.000 1.236 255 R HN 0.262 nan 8.270 nan 0.000 0.466 256 V N 0.751 120.396 119.914 -0.448 0.000 2.656 256 V HA 0.517 4.644 4.120 0.013 0.000 0.307 256 V C -0.394 175.645 176.094 -0.091 0.000 1.051 256 V CA -0.569 61.555 62.300 -0.293 0.000 0.893 256 V CB 2.305 33.899 31.823 -0.382 0.000 0.999 256 V HN 0.714 nan 8.190 nan 0.000 0.426 257 T N 3.987 118.597 114.554 0.092 0.000 2.809 257 T HA 0.564 4.921 4.350 0.013 0.000 0.284 257 T C -0.573 174.150 174.700 0.039 0.000 0.992 257 T CA -0.324 61.848 62.100 0.119 0.000 0.957 257 T CB 1.455 70.443 68.868 0.200 0.000 0.942 257 T HN 0.338 nan 8.240 nan 0.000 0.439 258 V N 4.155 124.072 119.914 0.005 0.000 2.417 258 V HA 0.688 4.815 4.120 0.013 0.000 0.291 258 V C 0.024 176.129 176.094 0.018 0.000 1.024 258 V CA -0.728 61.574 62.300 0.004 0.000 0.861 258 V CB 1.617 33.431 31.823 -0.015 0.000 0.985 258 V HN 1.040 nan 8.190 nan 0.000 0.436 259 S N 5.199 120.938 115.700 0.064 0.000 2.542 259 S HA 0.859 5.337 4.470 0.013 0.000 0.293 259 S C -1.121 173.541 174.600 0.102 0.000 1.089 259 S CA -0.792 57.430 58.200 0.037 0.000 0.961 259 S CB 2.207 65.444 63.200 0.062 0.000 1.062 259 S HN 0.532 nan 8.310 nan 0.000 0.483 260 L N 2.160 123.349 121.223 -0.057 0.000 2.333 260 L HA 0.806 5.154 4.340 0.013 0.000 0.280 260 L C -1.989 174.838 176.870 -0.073 0.000 1.004 260 L CA -0.255 54.631 54.840 0.078 0.000 0.820 260 L CB 0.917 43.014 42.059 0.063 0.000 1.247 260 L HN 0.891 nan 8.230 nan 0.000 0.416 261 W N 3.375 124.786 121.300 0.185 0.000 2.761 261 W HA 0.596 5.263 4.660 0.012 0.000 0.340 261 W C -0.654 175.974 176.519 0.180 0.000 1.072 261 W CA -0.465 56.967 57.345 0.145 0.000 1.215 261 W CB 1.524 31.019 29.460 0.058 0.000 1.420 261 W HN 0.438 nan 8.180 nan 0.000 0.519 262 Q N 2.525 122.504 119.800 0.299 0.000 2.456 262 Q HA 0.505 4.852 4.340 0.013 0.000 0.252 262 Q C 0.668 176.728 176.000 0.101 0.000 1.042 262 Q CA 0.420 56.258 55.803 0.058 0.000 0.766 262 Q CB 0.630 29.328 28.738 -0.066 0.000 1.196 262 Q HN 0.777 nan 8.270 nan 0.000 0.504 263 G N 3.164 112.014 108.800 0.085 0.000 2.566 263 G HA2 -0.373 3.595 3.960 0.013 0.000 0.280 263 G HA3 -0.373 3.595 3.960 0.013 0.000 0.280 263 G C 0.228 175.231 174.900 0.171 0.000 1.225 263 G CA 0.344 45.491 45.100 0.078 0.000 0.966 263 G HN 0.735 nan 8.290 nan 0.000 0.560 264 E N 0.588 120.874 120.200 0.144 0.000 2.511 264 E HA 0.189 4.547 4.350 0.013 0.000 0.196 264 E C 0.614 177.486 176.600 0.453 0.000 1.066 264 E CA 0.741 57.267 56.400 0.210 0.000 0.871 264 E CB 0.063 29.819 29.700 0.094 0.000 0.863 264 E HN 0.345 nan 8.360 nan 0.000 0.520 265 T N 1.175 115.941 114.554 0.354 0.000 2.767 265 T HA 0.116 4.473 4.350 0.013 0.000 0.288 265 T C -0.308 174.381 174.700 -0.019 0.000 0.963 265 T CA -0.468 61.747 62.100 0.192 0.000 1.019 265 T CB 1.390 70.303 68.868 0.075 0.000 0.923 265 T HN 0.034 nan 8.240 nan 0.000 0.468 266 Q N 2.903 122.375 119.800 -0.547 0.000 2.314 266 Q HA 0.331 4.678 4.340 0.013 0.000 0.257 266 Q C 0.975 176.680 176.000 -0.492 0.000 0.975 266 Q CA -0.494 54.614 55.803 -1.159 0.000 0.933 266 Q CB 0.828 28.616 28.738 -1.583 0.000 1.195 266 Q HN 0.683 nan 8.270 nan 0.000 0.426 267 V N 1.284 121.006 119.914 -0.319 0.000 2.992 267 V HA 0.570 4.698 4.120 0.013 0.000 0.250 267 V C 0.262 176.259 176.094 -0.162 0.000 1.090 267 V CA 0.959 63.174 62.300 -0.142 0.000 1.101 267 V CB 0.132 31.967 31.823 0.020 0.000 0.743 267 V HN 0.661 nan 8.190 nan 0.000 0.468 268 A N -0.743 121.950 122.820 -0.213 0.000 2.586 268 A HA 0.830 5.158 4.320 0.013 0.000 0.290 268 A C -0.603 176.879 177.584 -0.170 0.000 1.086 268 A CA 0.169 52.112 52.037 -0.158 0.000 0.665 268 A CB 1.389 20.328 19.000 -0.100 0.000 1.279 268 A HN 1.032 nan 8.150 nan 0.000 0.423 269 S N -1.237 114.393 115.700 -0.116 0.000 2.565 269 S HA 0.757 5.235 4.470 0.013 0.000 0.274 269 S C -0.690 173.876 174.600 -0.056 0.000 1.144 269 S CA 0.271 58.418 58.200 -0.088 0.000 0.849 269 S CB 1.476 64.610 63.200 -0.110 0.000 1.103 269 S HN 2.447 nan 8.310 nan 0.000 0.455 270 G N 1.536 110.314 108.800 -0.037 0.000 2.733 270 G HA2 0.649 4.616 3.960 0.013 0.000 0.297 270 G HA3 0.649 4.616 3.960 0.013 0.000 0.297 270 G C -1.401 173.488 174.900 -0.019 0.000 1.422 270 G CA -0.427 44.653 45.100 -0.032 0.000 0.942 270 G HN 0.756 nan 8.290 nan 0.000 0.510 271 T N -0.202 114.343 114.554 -0.016 0.000 2.893 271 T HA 0.865 5.222 4.350 0.013 0.000 0.293 271 T C -0.340 174.331 174.700 -0.048 0.000 1.027 271 T CA -0.123 61.975 62.100 -0.004 0.000 0.988 271 T CB 1.882 70.784 68.868 0.056 0.000 1.043 271 T HN 1.614 nan 8.240 nan 0.000 0.461 272 A N 3.238 125.996 122.820 -0.102 0.000 2.604 272 A HA 0.878 5.206 4.320 0.013 0.000 0.295 272 A C -3.103 174.369 177.584 -0.187 0.000 1.067 272 A CA -1.578 50.385 52.037 -0.122 0.000 0.683 272 A CB 1.225 20.145 19.000 -0.133 0.000 1.281 272 A HN 0.531 nan 8.150 nan 0.000 0.407 273 P HA 0.503 nan 4.420 nan 0.000 0.277 273 P C -0.518 176.688 177.300 -0.156 0.000 1.271 273 P CA -0.179 62.857 63.100 -0.107 0.000 0.795 273 P CB 0.327 32.012 31.700 -0.025 0.000 1.101 274 F N -0.482 119.427 119.950 -0.069 0.000 2.403 274 F HA 0.503 5.037 4.527 0.012 0.000 0.320 274 F C 1.391 177.171 175.800 -0.033 0.000 1.176 274 F CA 1.309 59.278 58.000 -0.051 0.000 1.206 274 F CB 0.355 39.318 39.000 -0.062 0.000 1.235 274 F HN 0.568 nan 8.300 nan 0.000 0.565 275 G N 1.300 110.224 108.800 0.207 0.000 2.881 275 G HA2 0.337 4.304 3.960 0.013 0.000 0.597 275 G HA3 0.337 4.304 3.960 0.013 0.000 0.597 275 G C -0.438 174.514 174.900 0.088 0.000 1.188 275 G CA -0.736 44.438 45.100 0.122 0.000 1.218 275 G HN 1.037 nan 8.290 nan 0.000 0.544 276 G N 1.019 109.892 108.800 0.122 0.000 2.621 276 G HA2 0.665 4.632 3.960 0.013 0.000 0.271 276 G HA3 0.665 4.632 3.960 0.013 0.000 0.271 276 G C 0.544 175.485 174.900 0.068 0.000 1.236 276 G CA -0.022 45.135 45.100 0.095 0.000 0.958 276 G HN 0.964 nan 8.290 nan 0.000 0.512 277 E N -0.479 119.753 120.200 0.053 0.000 2.442 277 E HA 0.003 4.361 4.350 0.013 0.000 0.260 277 E C 0.144 176.766 176.600 0.037 0.000 1.148 277 E CA -0.217 56.204 56.400 0.035 0.000 0.976 277 E CB 0.780 30.497 29.700 0.029 0.000 0.967 277 E HN 0.305 nan 8.360 nan 0.000 0.454 278 I N 1.538 122.118 120.570 0.017 0.000 2.648 278 I HA -0.078 4.100 4.170 0.013 0.000 0.284 278 I C 1.408 177.533 176.117 0.012 0.000 1.153 278 I CA 0.283 61.586 61.300 0.004 0.000 1.426 278 I CB 0.241 38.239 38.000 -0.003 0.000 1.381 278 I HN 0.540 nan 8.210 nan 0.000 0.571 279 I N 1.136 121.708 120.570 0.004 0.000 4.312 279 I HA 0.323 4.501 4.170 0.013 0.000 0.324 279 I C -0.257 175.862 176.117 0.003 0.000 1.298 279 I CA -0.124 61.188 61.300 0.020 0.000 1.231 279 I CB 0.464 38.501 38.000 0.062 0.000 1.152 279 I HN 0.559 nan 8.210 nan 0.000 0.421 280 D N -0.268 120.121 120.400 -0.019 0.000 2.838 280 D HA 0.187 4.834 4.640 0.013 0.000 0.334 280 D C 0.220 176.504 176.300 -0.027 0.000 1.315 280 D CA -0.530 53.458 54.000 -0.019 0.000 0.917 280 D CB 0.603 41.390 40.800 -0.021 0.000 1.435 280 D HN -0.131 nan 8.370 nan 0.000 0.517 281 E N -0.909 119.277 120.200 -0.023 0.000 2.267 281 E HA -0.064 4.294 4.350 0.013 0.000 0.197 281 E C 1.323 177.904 176.600 -0.033 0.000 0.998 281 E CA 0.990 57.376 56.400 -0.023 0.000 0.830 281 E CB -0.060 29.629 29.700 -0.018 0.000 0.751 281 E HN 0.227 nan 8.360 nan 0.000 0.491 282 R N -0.184 120.288 120.500 -0.047 0.000 2.317 282 R HA 0.281 4.628 4.340 0.013 0.000 0.208 282 R C 0.882 177.138 176.300 -0.073 0.000 0.914 282 R CA 0.715 56.780 56.100 -0.058 0.000 1.060 282 R CB 0.439 30.698 30.300 -0.068 0.000 1.015 282 R HN 0.223 nan 8.270 nan 0.000 0.498 283 G N -0.603 108.156 108.800 -0.069 0.000 2.408 283 G HA2 -0.110 3.858 3.960 0.013 0.000 0.204 283 G HA3 -0.110 3.858 3.960 0.013 0.000 0.204 283 G C -0.226 174.618 174.900 -0.093 0.000 1.186 283 G CA -0.605 44.454 45.100 -0.069 0.000 1.139 283 G HN 0.492 nan 8.290 nan 0.000 0.563 284 G N -1.969 106.768 108.800 -0.106 0.000 3.105 284 G HA2 0.645 4.613 3.960 0.013 0.000 0.277 284 G HA3 0.645 4.613 3.960 0.013 0.000 0.277 284 G C -1.558 173.224 174.900 -0.197 0.000 1.375 284 G CA -0.701 44.336 45.100 -0.106 0.000 0.962 284 G HN 0.780 nan 8.290 nan 0.000 0.541 285 Y N 1.018 121.330 120.300 0.020 0.000 2.504 285 Y HA 0.417 4.974 4.550 0.012 0.000 0.351 285 Y C 1.411 177.335 175.900 0.040 0.000 0.988 285 Y CA 0.200 58.316 58.100 0.027 0.000 1.239 285 Y CB 1.587 40.069 38.460 0.037 0.000 1.128 285 Y HN 0.536 nan 8.280 nan 0.000 0.525 286 A N 1.692 124.567 122.820 0.093 0.000 2.167 286 A HA -0.094 4.234 4.320 0.013 0.000 0.214 286 A C 1.225 178.866 177.584 0.095 0.000 1.151 286 A CA 0.989 53.073 52.037 0.078 0.000 0.735 286 A CB -0.256 18.749 19.000 0.009 0.000 0.802 286 A HN 0.768 nan 8.150 nan 0.000 0.467 287 D N -0.781 119.681 120.400 0.104 0.000 2.358 287 D HA 0.143 4.791 4.640 0.013 0.000 0.224 287 D C 0.490 176.900 176.300 0.183 0.000 1.123 287 D CA -0.026 53.960 54.000 -0.023 0.000 0.833 287 D CB 0.008 40.782 40.800 -0.043 0.000 0.946 287 D HN 0.329 nan 8.370 nan 0.000 0.505 288 R N -0.678 120.046 120.500 0.372 0.000 2.867 288 R HA 0.746 5.094 4.340 0.013 0.000 0.268 288 R C -1.607 174.859 176.300 0.277 0.000 1.014 288 R CA -1.159 55.145 56.100 0.340 0.000 0.946 288 R CB 3.113 33.496 30.300 0.139 0.000 1.208 288 R HN -0.015 nan 8.270 nan 0.000 0.477 289 V N 0.512 120.456 119.914 0.050 0.000 2.891 289 V HA 0.425 4.553 4.120 0.013 0.000 0.304 289 V C -1.466 174.563 176.094 -0.108 0.000 1.171 289 V CA -0.296 61.928 62.300 -0.128 0.000 0.943 289 V CB 2.652 34.220 31.823 -0.424 0.000 1.037 289 V HN 0.792 nan 8.190 nan 0.000 0.427 290 T N 7.796 122.302 114.554 -0.079 0.000 2.772 290 T HA 0.578 4.936 4.350 0.013 0.000 0.288 290 T C -0.809 173.850 174.700 -0.068 0.000 0.994 290 T CA -0.371 61.694 62.100 -0.059 0.000 0.951 290 T CB 0.887 69.737 68.868 -0.031 0.000 0.933 290 T HN 0.409 nan 8.240 nan 0.000 0.447 291 L N 3.874 125.057 121.223 -0.066 0.000 2.325 291 L HA 0.585 4.933 4.340 0.013 0.000 0.278 291 L C 0.370 177.213 176.870 -0.045 0.000 1.023 291 L CA -0.473 54.329 54.840 -0.063 0.000 0.811 291 L CB 1.542 43.562 42.059 -0.064 0.000 1.249 291 L HN 0.560 nan 8.230 nan 0.000 0.431 292 R N 3.614 124.088 120.500 -0.044 0.000 2.476 292 R HA 0.641 4.989 4.340 0.013 0.000 0.305 292 R C -1.415 174.860 176.300 -0.041 0.000 0.965 292 R CA -0.988 55.087 56.100 -0.042 0.000 0.867 292 R CB 2.115 32.390 30.300 -0.041 0.000 1.176 292 R HN 0.214 nan 8.270 nan 0.000 0.447 293 L N 2.840 124.040 121.223 -0.039 0.000 2.341 293 L HA 0.364 4.712 4.340 0.013 0.000 0.278 293 L C -0.125 176.720 176.870 -0.040 0.000 1.005 293 L CA -0.600 54.217 54.840 -0.038 0.000 0.818 293 L CB 1.479 43.521 42.059 -0.029 0.000 1.259 293 L HN 0.473 nan 8.230 nan 0.000 0.418 294 N N 2.496 121.166 118.700 -0.050 0.000 2.479 294 N HA 0.539 5.286 4.740 0.013 0.000 0.285 294 N C -1.062 174.404 175.510 -0.074 0.000 1.075 294 N CA -0.292 52.723 53.050 -0.058 0.000 0.967 294 N CB 2.485 40.940 38.487 -0.053 0.000 1.137 294 N HN 0.219 nan 8.380 nan 0.000 0.472 295 V N 1.731 121.586 119.914 -0.097 0.000 2.525 295 V HA 0.213 4.341 4.120 0.013 0.000 0.299 295 V C -0.210 175.802 176.094 -0.137 0.000 1.034 295 V CA -0.901 61.305 62.300 -0.157 0.000 0.863 295 V CB 2.083 33.721 31.823 -0.308 0.000 0.999 295 V HN 0.480 nan 8.190 nan 0.000 0.423 296 E N 2.509 122.650 120.200 -0.097 0.000 2.266 296 E HA 0.320 4.678 4.350 0.013 0.000 0.277 296 E C 0.240 176.813 176.600 -0.046 0.000 1.018 296 E CA -0.485 55.883 56.400 -0.053 0.000 0.840 296 E CB 0.640 30.320 29.700 -0.033 0.000 1.082 296 E HN 0.744 nan 8.360 nan 0.000 0.395 297 N N 1.205 119.903 118.700 -0.004 0.000 2.699 297 N HA -0.157 4.591 4.740 0.013 0.000 0.256 297 N C -2.447 173.063 175.510 0.000 0.000 0.993 297 N CA 0.100 53.162 53.050 0.021 0.000 0.759 297 N CB -0.952 37.549 38.487 0.022 0.000 0.906 297 N HN 0.280 nan 8.380 nan 0.000 0.541 298 P HA 0.005 nan 4.420 nan 0.000 0.269 298 P C -0.313 177.014 177.300 0.044 0.000 1.209 298 P CA 0.327 63.327 63.100 -0.166 0.000 0.776 298 P CB 0.748 32.156 31.700 -0.486 0.000 0.876 299 K N 2.590 123.097 120.400 0.178 0.000 2.312 299 K HA 0.279 4.606 4.320 0.013 0.000 0.287 299 K C 0.233 176.987 176.600 0.258 0.000 1.062 299 K CA -0.392 55.996 56.287 0.170 0.000 0.934 299 K CB 0.324 32.894 32.500 0.117 0.000 1.027 299 K HN 0.453 nan 8.250 nan 0.000 0.478 300 L N 2.610 123.913 121.223 0.132 0.000 2.395 300 L HA 0.288 4.636 4.340 0.013 0.000 0.269 300 L C 0.017 176.966 176.870 0.132 0.000 1.133 300 L CA -0.790 54.126 54.840 0.127 0.000 0.812 300 L CB 0.462 42.436 42.059 -0.143 0.000 1.125 300 L HN 0.602 nan 8.230 nan 0.000 0.452 301 W N 3.170 124.493 121.300 0.038 0.000 2.438 301 W HA 0.505 5.172 4.660 0.012 0.000 0.324 301 W C -0.083 176.381 176.519 -0.090 0.000 1.119 301 W CA 0.055 57.410 57.345 0.017 0.000 1.221 301 W CB 1.401 30.925 29.460 0.106 0.000 1.253 301 W HN 0.600 nan 8.180 nan 0.000 0.555 302 S N 2.876 118.042 115.700 -0.890 0.000 2.611 302 S HA 0.609 5.086 4.470 0.013 0.000 0.268 302 S C 0.064 173.859 174.600 -1.341 0.000 1.156 302 S CA -0.360 57.344 58.200 -0.826 0.000 0.817 302 S CB 1.046 64.055 63.200 -0.320 0.000 1.122 302 S HN 1.066 nan 8.310 nan 0.000 0.466 303 A N 0.579 122.753 122.820 -1.076 0.000 2.015 303 A HA 0.044 4.372 4.320 0.013 0.000 0.219 303 A C 1.793 179.044 177.584 -0.554 0.000 1.163 303 A CA 1.576 52.999 52.037 -1.024 0.000 0.646 303 A CB -0.974 17.262 19.000 -1.274 0.000 0.806 303 A HN 0.879 nan 8.150 nan 0.000 0.448 304 E N -1.167 118.859 120.200 -0.289 0.000 2.072 304 E HA -0.007 4.351 4.350 0.013 0.000 0.190 304 E C -0.496 175.983 176.600 -0.200 0.000 0.982 304 E CA 0.729 57.044 56.400 -0.143 0.000 0.803 304 E CB 0.025 29.794 29.700 0.114 0.000 0.755 304 E HN 0.584 nan 8.360 nan 0.000 0.453 305 I N 1.221 121.636 120.570 -0.259 0.000 2.583 305 I HA 0.130 4.308 4.170 0.013 0.000 0.276 305 I C -2.481 173.410 176.117 -0.377 0.000 1.089 305 I CA -1.843 59.319 61.300 -0.229 0.000 1.103 305 I CB 2.173 40.093 38.000 -0.135 0.000 1.209 305 I HN -0.195 nan 8.210 nan 0.000 0.484 306 P HA 0.093 nan 4.420 nan 0.000 0.226 306 P C -0.607 176.656 177.300 -0.062 0.000 1.783 306 P CA -0.271 62.521 63.100 -0.513 0.000 0.980 306 P CB -0.281 31.250 31.700 -0.282 0.000 1.967 307 N N 1.792 120.488 118.700 -0.007 0.000 2.440 307 N HA 0.096 4.843 4.740 0.013 0.000 0.265 307 N C 0.053 175.767 175.510 0.339 0.000 1.239 307 N CA 0.524 53.647 53.050 0.122 0.000 0.909 307 N CB 0.546 39.104 38.487 0.119 0.000 1.066 307 N HN 0.314 nan 8.380 nan 0.000 0.474 308 L N 2.556 123.906 121.223 0.212 0.000 2.354 308 L HA 0.489 4.836 4.340 0.013 0.000 0.269 308 L C -0.701 176.245 176.870 0.126 0.000 1.005 308 L CA -0.876 54.133 54.840 0.282 0.000 0.819 308 L CB 1.228 43.423 42.059 0.228 0.000 1.311 308 L HN 0.379 nan 8.230 nan 0.000 0.423 309 Y N 0.322 120.777 120.300 0.259 0.000 2.621 309 Y HA 0.647 5.205 4.550 0.013 0.000 0.334 309 Y C -0.211 175.813 175.900 0.206 0.000 1.074 309 Y CA -0.852 57.400 58.100 0.254 0.000 1.149 309 Y CB 1.717 40.391 38.460 0.356 0.000 1.302 309 Y HN 0.385 nan 8.280 nan 0.000 0.501 310 R N 1.072 121.809 120.500 0.394 0.000 2.480 310 R HA 0.808 5.155 4.340 0.013 0.000 0.306 310 R C -1.718 174.765 176.300 0.306 0.000 0.958 310 R CA -0.503 55.759 56.100 0.270 0.000 0.861 310 R CB 1.081 31.476 30.300 0.158 0.000 1.171 310 R HN 0.736 nan 8.270 nan 0.000 0.445 311 A N 3.967 126.918 122.820 0.219 0.000 2.288 311 A HA 0.620 4.948 4.320 0.013 0.000 0.320 311 A C -1.019 176.631 177.584 0.111 0.000 1.217 311 A CA -0.658 51.491 52.037 0.187 0.000 0.840 311 A CB 1.280 20.364 19.000 0.140 0.000 1.179 311 A HN 0.492 nan 8.150 nan 0.000 0.504 312 V N 3.346 123.326 119.914 0.110 0.000 2.417 312 V HA 0.367 4.495 4.120 0.013 0.000 0.291 312 V C -0.311 175.766 176.094 -0.029 0.000 1.024 312 V CA -0.500 61.803 62.300 0.006 0.000 0.861 312 V CB 1.611 33.437 31.823 0.004 0.000 0.985 312 V HN 0.606 nan 8.190 nan 0.000 0.436 313 V N 4.895 124.728 119.914 -0.136 0.000 2.311 313 V HA 0.379 4.507 4.120 0.013 0.000 0.275 313 V C 0.023 176.057 176.094 -0.100 0.000 1.022 313 V CA -0.567 61.628 62.300 -0.175 0.000 0.830 313 V CB 0.934 32.496 31.823 -0.435 0.000 1.012 313 V HN 0.926 nan 8.190 nan 0.000 0.452 314 E N 3.965 124.161 120.200 -0.006 0.000 2.156 314 E HA 0.497 4.854 4.350 0.013 0.000 0.279 314 E C -0.858 175.832 176.600 0.150 0.000 0.965 314 E CA -0.810 55.636 56.400 0.076 0.000 0.789 314 E CB 2.392 32.159 29.700 0.112 0.000 1.098 314 E HN 0.472 nan 8.360 nan 0.000 0.397 315 L N 4.755 126.047 121.223 0.115 0.000 2.272 315 L HA 0.393 4.740 4.340 0.013 0.000 0.289 315 L C -0.997 175.976 176.870 0.172 0.000 1.032 315 L CA 0.121 55.021 54.840 0.100 0.000 0.810 315 L CB 0.016 42.120 42.059 0.075 0.000 1.205 315 L HN 0.687 nan 8.230 nan 0.000 0.422 316 H N 0.114 119.237 119.070 0.088 0.000 2.948 316 H HA 0.669 5.233 4.556 0.012 0.000 0.315 316 H C -0.781 174.622 175.328 0.124 0.000 1.360 316 H CA -0.539 55.557 56.048 0.080 0.000 1.125 316 H CB 0.425 30.213 29.762 0.043 0.000 1.844 316 H HN 0.494 nan 8.280 nan 0.000 0.529 317 T N -1.795 112.906 114.554 0.245 0.000 2.882 317 T HA 0.488 4.846 4.350 0.013 0.000 0.287 317 T C 1.456 176.320 174.700 0.274 0.000 1.014 317 T CA -0.298 61.929 62.100 0.213 0.000 1.049 317 T CB 1.376 70.281 68.868 0.062 0.000 1.001 317 T HN 0.947 nan 8.240 nan 0.000 0.525 318 A N 0.973 123.915 122.820 0.203 0.000 1.972 318 A HA -0.059 4.269 4.320 0.013 0.000 0.219 318 A C 1.837 179.520 177.584 0.165 0.000 1.169 318 A CA 1.343 53.491 52.037 0.185 0.000 0.635 318 A CB -0.779 18.299 19.000 0.131 0.000 0.810 318 A HN 0.874 nan 8.150 nan 0.000 0.446 319 D N -1.405 119.064 120.400 0.114 0.000 2.363 319 D HA 0.238 4.885 4.640 0.013 0.000 0.226 319 D C 1.338 177.669 176.300 0.053 0.000 1.020 319 D CA 1.180 55.217 54.000 0.061 0.000 0.892 319 D CB 0.175 40.987 40.800 0.020 0.000 0.900 319 D HN 0.624 nan 8.370 nan 0.000 0.531 320 G N -0.092 108.764 108.800 0.094 0.000 2.192 320 G HA2 -0.211 3.757 3.960 0.013 0.000 0.193 320 G HA3 -0.211 3.757 3.960 0.013 0.000 0.193 320 G C 0.459 175.368 174.900 0.016 0.000 0.999 320 G CA -0.172 44.941 45.100 0.022 0.000 0.659 320 G HN 0.245 nan 8.290 nan 0.000 0.503 321 T N 2.100 116.690 114.554 0.060 0.000 2.737 321 T HA 0.491 4.848 4.350 0.013 0.000 0.296 321 T C 0.264 175.020 174.700 0.094 0.000 0.922 321 T CA -0.111 62.015 62.100 0.045 0.000 1.079 321 T CB 1.584 70.462 68.868 0.016 0.000 0.892 321 T HN 0.563 nan 8.240 nan 0.000 0.514 322 L N 5.333 126.590 121.223 0.056 0.000 2.360 322 L HA 0.337 4.685 4.340 0.013 0.000 0.276 322 L C 0.837 177.752 176.870 0.074 0.000 1.121 322 L CA 0.361 55.251 54.840 0.085 0.000 0.845 322 L CB 0.107 42.184 42.059 0.030 0.000 1.143 322 L HN 0.667 nan 8.230 nan 0.000 0.452 323 I N 2.869 123.496 120.570 0.095 0.000 2.364 323 I HA 0.083 4.261 4.170 0.013 0.000 0.241 323 I C 0.351 176.487 176.117 0.032 0.000 1.082 323 I CA 0.668 62.002 61.300 0.057 0.000 1.401 323 I CB 0.060 38.097 38.000 0.061 0.000 1.126 323 I HN 0.821 nan 8.210 nan 0.000 0.429 324 E N 0.021 120.241 120.200 0.033 0.000 2.416 324 E HA 0.717 5.075 4.350 0.013 0.000 0.280 324 E C -1.486 175.127 176.600 0.023 0.000 1.055 324 E CA -1.111 55.298 56.400 0.016 0.000 0.825 324 E CB 1.701 31.379 29.700 -0.036 0.000 1.312 324 E HN 0.002 nan 8.360 nan 0.000 0.452 325 A N 1.254 124.110 122.820 0.060 0.000 2.414 325 A HA 0.680 5.007 4.320 0.013 0.000 0.306 325 A C -0.953 176.714 177.584 0.140 0.000 1.054 325 A CA -0.749 51.322 52.037 0.057 0.000 0.724 325 A CB 1.548 20.577 19.000 0.049 0.000 1.267 325 A HN 0.517 nan 8.150 nan 0.000 0.418 326 E N -0.172 120.035 120.200 0.012 0.000 2.316 326 E HA 0.860 5.217 4.350 0.013 0.000 0.258 326 E C -0.403 176.205 176.600 0.014 0.000 0.952 326 E CA -0.528 55.914 56.400 0.070 0.000 0.818 326 E CB 2.341 31.945 29.700 -0.160 0.000 1.260 326 E HN 1.283 nan 8.360 nan 0.000 0.416 327 A N -0.248 122.688 122.820 0.193 0.000 2.544 327 A HA 0.642 4.969 4.320 0.013 0.000 0.291 327 A C -1.248 176.530 177.584 0.323 0.000 1.055 327 A CA -0.347 51.761 52.037 0.120 0.000 0.651 327 A CB 0.505 19.514 19.000 0.016 0.000 1.296 327 A HN 0.907 nan 8.150 nan 0.000 0.431 328 C N -0.641 118.811 119.300 0.254 0.000 3.311 328 C HA 0.812 5.279 4.460 0.013 0.000 0.325 328 C C -1.366 173.727 174.990 0.172 0.000 1.352 328 C CA -0.916 58.247 59.018 0.242 0.000 1.308 328 C CB 1.007 28.901 27.740 0.256 0.000 1.619 328 C HN 0.846 nan 8.230 nan 0.000 0.469 329 D N 0.835 121.322 120.400 0.145 0.000 2.302 329 D HA 0.576 5.223 4.640 0.013 0.000 0.248 329 D C -0.397 175.968 176.300 0.108 0.000 1.094 329 D CA 0.157 54.243 54.000 0.144 0.000 0.897 329 D CB 1.802 42.688 40.800 0.144 0.000 1.200 329 D HN 0.562 nan 8.370 nan 0.000 0.429 330 V N 0.961 120.968 119.914 0.155 0.000 2.588 330 V HA 0.636 4.763 4.120 0.013 0.000 0.304 330 V C 0.498 176.676 176.094 0.141 0.000 1.042 330 V CA -0.895 61.442 62.300 0.060 0.000 0.877 330 V CB 2.103 33.942 31.823 0.027 0.000 0.996 330 V HN 0.607 nan 8.190 nan 0.000 0.425 331 G N 3.222 111.996 108.800 -0.044 0.000 2.437 331 G HA2 0.592 4.559 3.960 0.013 0.000 0.315 331 G HA3 0.592 4.559 3.960 0.013 0.000 0.315 331 G C -0.927 174.046 174.900 0.121 0.000 1.210 331 G CA -0.339 44.798 45.100 0.061 0.000 0.943 331 G HN 0.420 nan 8.290 nan 0.000 0.471 332 F N 4.085 124.230 119.950 0.324 0.000 2.466 332 F HA 0.454 4.988 4.527 0.012 0.000 0.363 332 F C 1.120 177.154 175.800 0.391 0.000 1.109 332 F CA -0.080 58.163 58.000 0.405 0.000 1.161 332 F CB 0.711 39.984 39.000 0.455 0.000 1.117 332 F HN 0.467 nan 8.300 nan 0.000 0.539 333 R N 2.996 123.775 120.500 0.466 0.000 2.664 333 R HA 0.378 4.725 4.340 0.013 0.000 0.266 333 R C -1.925 174.536 176.300 0.269 0.000 1.046 333 R CA -0.791 55.435 56.100 0.210 0.000 0.885 333 R CB 1.485 31.926 30.300 0.236 0.000 1.254 333 R HN 0.613 nan 8.270 nan 0.000 0.465 334 E N 2.138 122.413 120.200 0.125 0.000 2.187 334 E HA 0.485 4.842 4.350 0.013 0.000 0.268 334 E C -1.221 175.456 176.600 0.129 0.000 0.896 334 E CA -0.933 55.606 56.400 0.232 0.000 0.766 334 E CB 2.132 32.036 29.700 0.340 0.000 1.142 334 E HN 0.398 nan 8.360 nan 0.000 0.408 335 V N 5.579 125.562 119.914 0.114 0.000 2.448 335 V HA 0.593 4.721 4.120 0.013 0.000 0.295 335 V C -0.231 175.905 176.094 0.070 0.000 1.025 335 V CA -0.602 61.737 62.300 0.065 0.000 0.859 335 V CB 1.194 33.032 31.823 0.025 0.000 0.988 335 V HN 0.749 nan 8.190 nan 0.000 0.431 336 R N 4.125 124.663 120.500 0.063 0.000 2.692 336 R HA 0.700 5.047 4.340 0.013 0.000 0.269 336 R C -2.135 174.193 176.300 0.047 0.000 1.030 336 R CA -0.931 55.207 56.100 0.063 0.000 0.882 336 R CB 1.809 32.159 30.300 0.084 0.000 1.250 336 R HN 0.503 nan 8.270 nan 0.000 0.465 337 I N 1.275 121.873 120.570 0.046 0.000 2.354 337 I HA 0.362 4.540 4.170 0.013 0.000 0.292 337 I C -0.643 175.497 176.117 0.040 0.000 0.989 337 I CA -0.410 60.912 61.300 0.036 0.000 1.188 337 I CB 1.876 39.898 38.000 0.037 0.000 1.342 337 I HN 0.707 nan 8.210 nan 0.000 0.457 338 E N 5.725 125.945 120.200 0.033 0.000 2.290 338 E HA 0.270 4.627 4.350 0.013 0.000 0.274 338 E C -0.265 176.351 176.600 0.026 0.000 0.889 338 E CA -0.525 55.896 56.400 0.035 0.000 0.760 338 E CB 1.053 30.779 29.700 0.044 0.000 1.206 338 E HN 0.527 nan 8.360 nan 0.000 0.419 339 N N 3.060 121.775 118.700 0.025 0.000 2.714 339 N HA -0.223 4.525 4.740 0.013 0.000 0.250 339 N C 0.464 175.982 175.510 0.014 0.000 1.117 339 N CA 2.109 55.170 53.050 0.019 0.000 0.719 339 N CB -1.155 37.342 38.487 0.017 0.000 1.081 339 N HN 0.999 nan 8.380 nan 0.000 0.557 340 G N -2.162 106.648 108.800 0.015 0.000 2.159 340 G HA2 -0.284 3.683 3.960 0.013 0.000 0.256 340 G HA3 -0.284 3.683 3.960 0.013 0.000 0.256 340 G C -0.105 174.792 174.900 -0.004 0.000 0.977 340 G CA 0.541 45.646 45.100 0.008 0.000 0.652 340 G HN 0.462 nan 8.290 nan 0.000 0.531 341 L N -0.169 121.052 121.223 -0.004 0.000 2.362 341 L HA 0.706 5.054 4.340 0.013 0.000 0.271 341 L C 0.053 176.915 176.870 -0.015 0.000 1.002 341 L CA -1.372 53.457 54.840 -0.018 0.000 0.818 341 L CB 1.863 43.911 42.059 -0.017 0.000 1.298 341 L HN 0.083 nan 8.230 nan 0.000 0.420 342 L N 4.323 125.525 121.223 -0.035 0.000 2.278 342 L HA 0.456 4.804 4.340 0.013 0.000 0.287 342 L C -0.846 176.001 176.870 -0.038 0.000 1.072 342 L CA 0.356 55.175 54.840 -0.035 0.000 0.819 342 L CB 0.323 42.345 42.059 -0.061 0.000 1.176 342 L HN 0.372 nan 8.230 nan 0.000 0.435 343 L N 5.898 127.116 121.223 -0.008 0.000 2.346 343 L HA 0.560 4.907 4.340 0.013 0.000 0.274 343 L C -0.851 176.033 176.870 0.023 0.000 1.007 343 L CA -0.832 54.015 54.840 0.011 0.000 0.818 343 L CB 1.942 44.031 42.059 0.050 0.000 1.284 343 L HN 0.526 nan 8.230 nan 0.000 0.424 344 L N 3.706 124.956 121.223 0.045 0.000 2.349 344 L HA 0.491 4.839 4.340 0.013 0.000 0.278 344 L C -0.197 176.708 176.870 0.058 0.000 0.996 344 L CA -0.036 54.843 54.840 0.066 0.000 0.825 344 L CB 0.955 43.075 42.059 0.100 0.000 1.243 344 L HN 0.599 nan 8.230 nan 0.000 0.412 345 N N 4.180 122.784 118.700 -0.160 0.000 2.727 345 N HA -0.223 4.524 4.740 0.013 0.000 0.249 345 N C 0.916 176.150 175.510 -0.460 0.000 1.048 345 N CA 1.315 53.947 53.050 -0.697 0.000 0.714 345 N CB -1.244 36.700 38.487 -0.905 0.000 0.959 345 N HN 1.171 nan 8.380 nan 0.000 0.544 346 G N -1.997 106.811 108.800 0.014 0.000 2.179 346 G HA2 -0.343 3.625 3.960 0.013 0.000 0.260 346 G HA3 -0.343 3.625 3.960 0.013 0.000 0.260 346 G C -0.088 174.865 174.900 0.088 0.000 0.977 346 G CA 0.880 46.073 45.100 0.156 0.000 0.641 346 G HN 0.448 nan 8.290 nan 0.000 0.533 347 K N 0.673 121.115 120.400 0.068 0.000 2.259 347 K HA 0.548 4.876 4.320 0.013 0.000 0.249 347 K C -2.996 173.589 176.600 -0.024 0.000 0.942 347 K CA -2.134 54.153 56.287 -0.000 0.000 0.816 347 K CB 2.824 35.261 32.500 -0.105 0.000 1.155 347 K HN 0.039 nan 8.250 nan 0.000 0.428 348 P HA 0.249 nan 4.420 nan 0.000 0.287 348 P C -0.143 177.091 177.300 -0.109 0.000 1.294 348 P CA -0.319 62.737 63.100 -0.073 0.000 0.776 348 P CB 0.511 32.170 31.700 -0.067 0.000 0.889 349 L N 3.445 124.596 121.223 -0.119 0.000 2.472 349 L HA 0.302 4.650 4.340 0.013 0.000 0.260 349 L C 0.645 177.423 176.870 -0.154 0.000 1.209 349 L CA -0.521 54.232 54.840 -0.145 0.000 0.817 349 L CB 0.206 42.137 42.059 -0.214 0.000 1.106 349 L HN 0.254 nan 8.230 nan 0.000 0.479 350 L N 3.162 124.309 121.223 -0.127 0.000 2.427 350 L HA 0.417 4.765 4.340 0.013 0.000 0.264 350 L C -0.600 176.213 176.870 -0.095 0.000 0.989 350 L CA -0.261 54.489 54.840 -0.151 0.000 0.865 350 L CB 0.922 42.920 42.059 -0.101 0.000 1.209 350 L HN 0.236 nan 8.230 nan 0.000 0.430 351 I N 4.758 125.206 120.570 -0.204 0.000 2.421 351 I HA 0.174 4.351 4.170 0.013 0.000 0.291 351 I C 0.694 176.783 176.117 -0.047 0.000 1.089 351 I CA 0.330 61.523 61.300 -0.178 0.000 1.354 351 I CB 0.279 38.036 38.000 -0.405 0.000 1.413 351 I HN 0.553 nan 8.210 nan 0.000 0.513 352 R N 4.709 125.272 120.500 0.105 0.000 3.070 352 R HA 0.416 4.764 4.340 0.013 0.000 0.252 352 R C 0.534 176.990 176.300 0.260 0.000 1.370 352 R CA -0.264 55.950 56.100 0.189 0.000 1.482 352 R CB 0.760 30.994 30.300 -0.110 0.000 1.220 352 R HN 0.783 nan 8.270 nan 0.000 0.622 353 G N 0.134 109.043 108.800 0.181 0.000 2.491 353 G HA2 0.555 4.523 3.960 0.013 0.000 0.327 353 G HA3 0.555 4.523 3.960 0.013 0.000 0.327 353 G C -1.266 173.939 174.900 0.508 0.000 1.189 353 G CA -0.401 44.774 45.100 0.125 0.000 0.956 353 G HN 0.238 nan 8.290 nan 0.000 0.491 354 V N 0.123 120.301 119.914 0.439 0.000 2.888 354 V HA 0.468 4.596 4.120 0.013 0.000 0.309 354 V C -1.081 175.128 176.094 0.191 0.000 1.114 354 V CA -1.215 61.196 62.300 0.185 0.000 0.940 354 V CB 2.191 33.764 31.823 -0.417 0.000 1.021 354 V HN 0.763 nan 8.190 nan 0.000 0.426 355 N N 4.340 123.078 118.700 0.063 0.000 2.499 355 N HA 0.458 5.206 4.740 0.013 0.000 0.281 355 N C -0.756 174.557 175.510 -0.329 0.000 1.098 355 N CA -0.325 52.641 53.050 -0.141 0.000 0.979 355 N CB 1.536 39.947 38.487 -0.127 0.000 1.121 355 N HN 0.652 nan 8.380 nan 0.000 0.466 356 R N 2.254 122.525 120.500 -0.381 0.000 2.502 356 R HA 0.220 4.567 4.340 0.013 0.000 0.298 356 R C -1.025 175.032 176.300 -0.405 0.000 1.018 356 R CA -0.569 55.326 56.100 -0.342 0.000 0.899 356 R CB 0.751 30.856 30.300 -0.325 0.000 1.181 356 R HN 0.575 nan 8.270 nan 0.000 0.444 357 H N 2.203 121.127 119.070 -0.244 0.000 2.547 357 H HA 0.134 4.698 4.556 0.013 0.000 0.362 357 H C -0.472 174.865 175.328 0.015 0.000 1.181 357 H CA 0.045 56.044 56.048 -0.082 0.000 1.376 357 H CB 1.434 31.209 29.762 0.022 0.000 1.488 357 H HN 0.570 nan 8.280 nan 0.000 0.583 358 E N 1.775 122.170 120.200 0.325 0.000 2.052 358 E HA 0.126 4.484 4.350 0.013 0.000 0.283 358 E C -0.676 176.075 176.600 0.252 0.000 1.071 358 E CA -0.012 56.493 56.400 0.176 0.000 0.851 358 E CB 0.398 30.206 29.700 0.181 0.000 1.066 358 E HN 0.394 nan 8.360 nan 0.000 0.396 359 H N 1.729 120.862 119.070 0.105 0.000 2.974 359 H HA 0.270 4.833 4.556 0.012 0.000 0.366 359 H C -1.744 173.651 175.328 0.111 0.000 1.155 359 H CA -0.658 55.451 56.048 0.102 0.000 1.186 359 H CB 1.177 30.988 29.762 0.082 0.000 1.799 359 H HN 0.435 nan 8.280 nan 0.000 0.541 360 H N 5.967 124.586 119.070 -0.750 0.000 2.782 360 H HA 0.212 4.775 4.556 0.012 0.000 0.347 360 H C -2.316 172.617 175.328 -0.658 0.000 1.038 360 H CA -2.323 53.441 56.048 -0.473 0.000 1.255 360 H CB 2.732 32.387 29.762 -0.177 0.000 1.623 360 H HN 0.535 nan 8.280 nan 0.000 0.525 361 P HA -0.085 nan 4.420 nan 0.000 0.220 361 P C 1.166 178.336 177.300 -0.217 0.000 1.148 361 P CA 0.818 63.733 63.100 -0.309 0.000 0.803 361 P CB 0.739 32.303 31.700 -0.227 0.000 0.782 362 L N -1.746 119.446 121.223 -0.052 0.000 2.286 362 L HA 0.097 4.444 4.340 0.013 0.000 0.203 362 L C 2.548 179.208 176.870 -0.350 0.000 1.068 362 L CA 0.728 55.436 54.840 -0.221 0.000 0.811 362 L CB -0.886 40.896 42.059 -0.461 0.000 0.989 362 L HN -0.024 nan 8.230 nan 0.000 0.467 363 H N -0.088 119.020 119.070 0.064 0.000 2.563 363 H HA 0.253 4.817 4.556 0.012 0.000 0.264 363 H C 1.520 176.759 175.328 -0.148 0.000 0.957 363 H CA 0.624 56.566 56.048 -0.177 0.000 1.173 363 H CB 0.314 29.817 29.762 -0.433 0.000 1.420 363 H HN 0.381 nan 8.280 nan 0.000 0.551 364 G N 1.400 110.139 108.800 -0.101 0.000 2.720 364 G HA2 -0.366 3.602 3.960 0.013 0.000 0.293 364 G HA3 -0.366 3.602 3.960 0.013 0.000 0.293 364 G C 0.884 175.730 174.900 -0.089 0.000 1.256 364 G CA 0.432 45.424 45.100 -0.181 0.000 0.974 364 G HN 0.446 nan 8.290 nan 0.000 0.551 365 Q N 0.131 119.896 119.800 -0.058 0.000 2.319 365 Q HA 0.426 4.773 4.340 0.013 0.000 0.202 365 Q C 0.548 176.651 176.000 0.171 0.000 0.896 365 Q CA 0.033 55.843 55.803 0.012 0.000 0.942 365 Q CB 1.183 29.810 28.738 -0.185 0.000 1.083 365 Q HN 0.380 nan 8.270 nan 0.000 0.510 366 V N 2.179 122.168 119.914 0.125 0.000 2.555 366 V HA 0.108 4.236 4.120 0.013 0.000 0.286 366 V C 0.230 176.369 176.094 0.075 0.000 1.044 366 V CA 0.239 62.614 62.300 0.124 0.000 1.026 366 V CB 0.885 32.721 31.823 0.023 0.000 0.981 366 V HN 0.289 nan 8.190 nan 0.000 0.480 367 M N 4.635 124.284 119.600 0.082 0.000 2.472 367 M HA 0.499 4.987 4.480 0.013 0.000 0.331 367 M C -0.498 175.763 176.300 -0.065 0.000 1.170 367 M CA -0.684 54.626 55.300 0.015 0.000 1.009 367 M CB 1.547 34.134 32.600 -0.022 0.000 1.672 367 M HN 0.955 nan 8.290 nan 0.000 0.453 368 D N -1.470 118.891 120.400 -0.066 0.000 2.581 368 D HA 0.255 4.903 4.640 0.013 0.000 0.232 368 D C 0.388 176.660 176.300 -0.046 0.000 1.143 368 D CA -0.694 53.263 54.000 -0.072 0.000 0.881 368 D CB 1.371 42.140 40.800 -0.051 0.000 1.500 368 D HN 0.686 nan 8.370 nan 0.000 0.458 369 E N 0.313 120.493 120.200 -0.032 0.000 2.070 369 E HA -0.362 3.995 4.350 0.013 0.000 0.197 369 E C 1.523 178.159 176.600 0.060 0.000 1.004 369 E CA 1.652 58.063 56.400 0.019 0.000 0.805 369 E CB 0.068 29.795 29.700 0.045 0.000 0.744 369 E HN 0.601 nan 8.360 nan 0.000 0.451 370 Q N -0.492 119.346 119.800 0.063 0.000 2.061 370 Q HA -0.153 4.195 4.340 0.013 0.000 0.204 370 Q C 2.292 178.352 176.000 0.101 0.000 0.984 370 Q CA 2.201 58.054 55.803 0.083 0.000 0.846 370 Q CB -0.071 28.717 28.738 0.084 0.000 0.902 370 Q HN 0.360 nan 8.270 nan 0.000 0.421 371 T N 0.852 115.474 114.554 0.114 0.000 2.746 371 T HA -0.155 4.203 4.350 0.013 0.000 0.267 371 T C 1.818 176.603 174.700 0.143 0.000 1.039 371 T CA 1.259 63.446 62.100 0.144 0.000 1.142 371 T CB -0.145 68.833 68.868 0.184 0.000 0.866 371 T HN 0.248 nan 8.240 nan 0.000 0.444 372 M N 0.533 120.216 119.600 0.138 0.000 2.117 372 M HA -0.098 4.390 4.480 0.013 0.000 0.262 372 M C 2.475 178.890 176.300 0.192 0.000 1.065 372 M CA 1.325 56.777 55.300 0.255 0.000 1.114 372 M CB -0.617 32.160 32.600 0.295 0.000 1.361 372 M HN 0.102 nan 8.290 nan 0.000 0.408 373 V N 0.280 120.248 119.914 0.090 0.000 2.343 373 V HA -0.296 3.832 4.120 0.013 0.000 0.247 373 V C 2.346 178.424 176.094 -0.027 0.000 1.051 373 V CA 2.064 64.349 62.300 -0.026 0.000 1.036 373 V CB -0.881 30.953 31.823 0.019 0.000 0.654 373 V HN 0.573 nan 8.190 nan 0.000 0.451 374 Q N -0.319 119.521 119.800 0.067 0.000 2.084 374 Q HA -0.261 4.087 4.340 0.013 0.000 0.202 374 Q C 1.937 178.026 176.000 0.147 0.000 0.978 374 Q CA 2.028 57.893 55.803 0.103 0.000 0.844 374 Q CB -0.130 28.684 28.738 0.127 0.000 0.898 374 Q HN 0.610 nan 8.270 nan 0.000 0.426 375 D N 0.499 121.003 120.400 0.174 0.000 2.117 375 D HA -0.129 4.519 4.640 0.013 0.000 0.197 375 D C 1.963 178.235 176.300 -0.047 0.000 0.987 375 D CA 1.037 55.148 54.000 0.185 0.000 0.829 375 D CB -0.172 40.708 40.800 0.132 0.000 0.961 375 D HN 0.357 nan 8.370 nan 0.000 0.460 376 I N 0.704 121.231 120.570 -0.071 0.000 2.179 376 I HA -0.249 3.929 4.170 0.013 0.000 0.242 376 I C 2.418 178.413 176.117 -0.203 0.000 1.088 376 I CA 0.733 61.885 61.300 -0.248 0.000 1.357 376 I CB -0.176 37.547 38.000 -0.461 0.000 1.051 376 I HN 0.007 nan 8.210 nan 0.000 0.409 377 L N 0.111 121.257 121.223 -0.128 0.000 2.017 377 L HA -0.236 4.111 4.340 0.013 0.000 0.208 377 L C 2.571 179.528 176.870 0.146 0.000 1.073 377 L CA 1.354 56.211 54.840 0.029 0.000 0.745 377 L CB -0.592 41.511 42.059 0.073 0.000 0.894 377 L HN 0.277 nan 8.230 nan 0.000 0.432 378 L N -0.937 120.397 121.223 0.185 0.000 2.083 378 L HA -0.242 4.106 4.340 0.013 0.000 0.209 378 L C 2.673 179.751 176.870 0.348 0.000 1.083 378 L CA 1.350 56.395 54.840 0.341 0.000 0.752 378 L CB -0.256 42.131 42.059 0.547 0.000 0.899 378 L HN 0.305 nan 8.230 nan 0.000 0.433 379 M N -0.832 118.786 119.600 0.030 0.000 2.099 379 M HA -0.221 4.266 4.480 0.013 0.000 0.262 379 M C 2.264 178.650 176.300 0.142 0.000 1.067 379 M CA 1.802 57.053 55.300 -0.081 0.000 1.124 379 M CB -0.263 32.029 32.600 -0.514 0.000 1.353 379 M HN 0.051 nan 8.290 nan 0.000 0.410 380 K N 0.032 120.419 120.400 -0.022 0.000 2.057 380 K HA -0.163 4.165 4.320 0.013 0.000 0.206 380 K C 1.945 178.519 176.600 -0.044 0.000 1.050 380 K CA 1.266 57.426 56.287 -0.211 0.000 0.935 380 K CB -0.184 31.972 32.500 -0.573 0.000 0.715 380 K HN 0.413 nan 8.250 nan 0.000 0.439 381 Q N 0.378 120.348 119.800 0.283 0.000 2.364 381 Q HA -0.058 4.289 4.340 0.013 0.000 0.209 381 Q C 0.764 177.074 176.000 0.516 0.000 0.977 381 Q CA 0.736 56.842 55.803 0.505 0.000 0.885 381 Q CB 0.109 29.131 28.738 0.473 0.000 0.941 381 Q HN 0.246 nan 8.270 nan 0.000 0.464 382 N N 0.489 119.427 118.700 0.397 0.000 2.273 382 N HA 0.048 4.796 4.740 0.013 0.000 0.231 382 N C -0.602 174.984 175.510 0.127 0.000 1.134 382 N CA 0.046 53.308 53.050 0.354 0.000 0.856 382 N CB 0.682 39.475 38.487 0.510 0.000 1.068 382 N HN 0.158 nan 8.380 nan 0.000 0.510 383 N N 0.004 118.795 118.700 0.151 0.000 2.782 383 N HA -0.198 4.550 4.740 0.013 0.000 0.251 383 N C -0.805 174.610 175.510 -0.159 0.000 1.101 383 N CA 0.778 53.875 53.050 0.078 0.000 0.764 383 N CB -1.785 36.682 38.487 -0.034 0.000 1.122 383 N HN 0.262 nan 8.380 nan 0.000 0.561 384 F N 1.153 121.130 119.950 0.045 0.000 2.384 384 F HA 0.284 4.818 4.527 0.012 0.000 0.338 384 F C 1.752 177.547 175.800 -0.010 0.000 1.103 384 F CA -0.529 57.478 58.000 0.012 0.000 1.157 384 F CB 0.843 39.822 39.000 -0.034 0.000 1.167 384 F HN 0.045 nan 8.300 nan 0.000 0.529 385 N N 1.022 119.840 118.700 0.198 0.000 2.143 385 N HA 0.410 5.158 4.740 0.013 0.000 0.222 385 N C -0.837 174.739 175.510 0.109 0.000 1.264 385 N CA -0.014 53.084 53.050 0.080 0.000 0.897 385 N CB 0.734 39.321 38.487 0.166 0.000 1.092 385 N HN 0.452 nan 8.380 nan 0.000 0.516 386 A N -0.470 122.482 122.820 0.221 0.000 2.594 386 A HA 0.754 5.082 4.320 0.013 0.000 0.295 386 A C -1.739 176.074 177.584 0.381 0.000 1.071 386 A CA -0.700 51.527 52.037 0.318 0.000 0.685 386 A CB 1.879 21.081 19.000 0.336 0.000 1.285 386 A HN 0.244 nan 8.150 nan 0.000 0.405 387 V N 1.197 121.384 119.914 0.456 0.000 2.888 387 V HA 0.797 4.925 4.120 0.013 0.000 0.309 387 V C -0.646 175.578 176.094 0.218 0.000 1.114 387 V CA -0.698 61.812 62.300 0.351 0.000 0.940 387 V CB 1.873 33.817 31.823 0.202 0.000 1.021 387 V HN 1.125 nan 8.190 nan 0.000 0.426 388 R N 4.757 125.203 120.500 -0.090 0.000 2.393 388 R HA 0.491 4.839 4.340 0.013 0.000 0.310 388 R C -0.618 175.530 176.300 -0.253 0.000 0.968 388 R CA -0.464 55.396 56.100 -0.399 0.000 0.867 388 R CB 1.197 31.044 30.300 -0.755 0.000 1.124 388 R HN 0.820 nan 8.270 nan 0.000 0.450 389 C N 4.366 123.558 119.300 -0.180 0.000 3.183 389 C HA 0.102 4.569 4.460 0.013 0.000 0.545 389 C C 0.517 175.235 174.990 -0.454 0.000 1.044 389 C CA -0.376 58.498 59.018 -0.240 0.000 1.117 389 C CB -2.189 25.531 27.740 -0.033 0.000 1.393 389 C HN 0.721 nan 8.230 nan 0.000 0.611 390 S N 1.227 116.530 115.700 -0.662 0.000 2.498 390 S HA 0.152 4.630 4.470 0.013 0.000 0.281 390 S C -0.091 173.600 174.600 -1.515 0.000 1.265 390 S CA 0.200 57.724 58.200 -1.127 0.000 1.071 390 S CB 0.158 62.617 63.200 -1.236 0.000 0.894 390 S HN 0.714 nan 8.310 nan 0.000 0.491 391 H N 3.835 122.300 119.070 -1.008 0.000 2.439 391 H HA 0.335 4.898 4.556 0.012 0.000 0.230 391 H C -1.086 174.137 175.328 -0.174 0.000 1.420 391 H CA -0.335 55.496 56.048 -0.362 0.000 1.305 391 H CB -0.216 29.533 29.762 -0.021 0.000 1.667 391 H HN 0.887 nan 8.280 nan 0.000 0.515 392 Y N -2.894 117.515 120.300 0.182 0.000 2.810 392 Y HA 0.408 4.966 4.550 0.013 0.000 0.355 392 Y C -3.362 172.649 175.900 0.185 0.000 1.211 392 Y CA -3.108 55.106 58.100 0.189 0.000 1.112 392 Y CB -0.013 38.564 38.460 0.195 0.000 1.383 392 Y HN -0.105 nan 8.280 nan 0.000 0.458 393 P HA 0.205 nan 4.420 nan 0.000 0.271 393 P C -0.611 176.981 177.300 0.488 0.000 1.216 393 P CA 0.096 63.454 63.100 0.430 0.000 0.776 393 P CB 0.607 32.486 31.700 0.298 0.000 0.881 394 N N 0.465 119.471 118.700 0.510 0.000 2.448 394 N HA 0.085 4.832 4.740 0.013 0.000 0.274 394 N C 0.148 175.902 175.510 0.406 0.000 1.239 394 N CA -0.591 52.666 53.050 0.344 0.000 0.982 394 N CB 0.285 38.765 38.487 -0.010 0.000 1.199 394 N HN 0.592 nan 8.380 nan 0.000 0.576 395 H N 2.040 121.217 119.070 0.179 0.000 3.001 395 H HA 0.002 4.565 4.556 0.012 0.000 0.334 395 H C -1.642 173.870 175.328 0.307 0.000 1.034 395 H CA -0.884 55.261 56.048 0.160 0.000 1.420 395 H CB 0.993 30.811 29.762 0.092 0.000 1.405 395 H HN 0.425 nan 8.280 nan 0.000 0.593 396 P HA -0.216 nan 4.420 nan 0.000 0.216 396 P C 1.832 179.470 177.300 0.563 0.000 1.150 396 P CA 0.774 64.140 63.100 0.443 0.000 0.843 396 P CB 0.213 32.020 31.700 0.179 0.000 0.787 397 L N -0.959 120.662 121.223 0.663 0.000 2.265 397 L HA -0.068 4.280 4.340 0.013 0.000 0.215 397 L C 2.407 179.453 176.870 0.294 0.000 1.117 397 L CA 1.377 56.461 54.840 0.407 0.000 0.782 397 L CB -1.407 40.823 42.059 0.285 0.000 0.914 397 L HN 0.027 nan 8.230 nan 0.000 0.441 398 W N -0.416 120.924 121.300 0.067 0.000 2.318 398 W HA -0.349 4.318 4.660 0.012 0.000 0.313 398 W C 2.087 178.450 176.519 -0.260 0.000 1.221 398 W CA 2.071 59.308 57.345 -0.179 0.000 1.266 398 W CB -0.411 28.843 29.460 -0.344 0.000 1.150 398 W HN 0.284 nan 8.180 nan 0.000 0.496 399 Y N 0.733 120.966 120.300 -0.113 0.000 2.181 399 Y HA -0.229 4.328 4.550 0.012 0.000 0.288 399 Y C 2.868 178.539 175.900 -0.382 0.000 1.146 399 Y CA 2.197 60.005 58.100 -0.486 0.000 1.164 399 Y CB -1.345 36.457 38.460 -1.096 0.000 0.982 399 Y HN -0.219 nan 8.280 nan 0.000 0.515 400 T N 0.821 115.391 114.554 0.028 0.000 2.720 400 T HA -0.168 4.189 4.350 0.013 0.000 0.268 400 T C 1.992 176.740 174.700 0.079 0.000 1.037 400 T CA 1.536 63.733 62.100 0.163 0.000 1.144 400 T CB -0.569 68.445 68.868 0.243 0.000 0.864 400 T HN 0.229 nan 8.240 nan 0.000 0.444 401 L N 0.343 121.566 121.223 -0.001 0.000 2.017 401 L HA -0.095 4.252 4.340 0.013 0.000 0.208 401 L C 2.879 179.712 176.870 -0.061 0.000 1.073 401 L CA 1.019 55.872 54.840 0.022 0.000 0.745 401 L CB -0.811 41.198 42.059 -0.083 0.000 0.894 401 L HN 0.357 nan 8.230 nan 0.000 0.432 402 C N -0.271 118.819 119.300 -0.351 0.000 2.432 402 C HA -0.116 4.351 4.460 0.013 0.000 0.280 402 C C 2.358 177.389 174.990 0.067 0.000 1.353 402 C CA 0.271 59.138 59.018 -0.250 0.000 1.766 402 C CB -0.858 26.640 27.740 -0.402 0.000 1.924 402 C HN 0.526 nan 8.230 nan 0.000 0.509 403 D N 0.664 121.117 120.400 0.088 0.000 2.117 403 D HA -0.074 4.574 4.640 0.013 0.000 0.198 403 D C 2.406 178.920 176.300 0.356 0.000 0.982 403 D CA 1.098 55.243 54.000 0.241 0.000 0.828 403 D CB -0.275 40.625 40.800 0.167 0.000 0.967 403 D HN 0.533 nan 8.370 nan 0.000 0.464 404 R N -0.837 119.767 120.500 0.173 0.000 2.075 404 R HA -0.001 4.346 4.340 0.013 0.000 0.226 404 R C 2.093 178.359 176.300 -0.058 0.000 1.114 404 R CA 0.656 56.785 56.100 0.048 0.000 0.972 404 R CB -0.278 29.976 30.300 -0.076 0.000 0.869 404 R HN 0.282 nan 8.270 nan 0.000 0.437 405 Y N 0.308 120.617 120.300 0.015 0.000 2.420 405 Y HA 0.162 4.719 4.550 0.012 0.000 0.292 405 Y C 1.027 176.852 175.900 -0.124 0.000 1.119 405 Y CA 0.747 58.828 58.100 -0.031 0.000 1.229 405 Y CB 0.454 38.871 38.460 -0.072 0.000 1.026 405 Y HN 0.251 nan 8.280 nan 0.000 0.554 406 G N 1.260 110.087 108.800 0.045 0.000 3.110 406 G HA2 -0.157 3.810 3.960 0.013 0.000 0.506 406 G HA3 -0.157 3.810 3.960 0.013 0.000 0.506 406 G C -1.209 173.526 174.900 -0.276 0.000 1.077 406 G CA -0.524 44.475 45.100 -0.168 0.000 0.960 406 G HN 0.183 nan 8.290 nan 0.000 0.434 407 L N 1.408 122.539 121.223 -0.153 0.000 2.513 407 L HA 0.429 4.776 4.340 0.013 0.000 0.261 407 L C 0.007 176.873 176.870 -0.007 0.000 0.945 407 L CA -1.201 53.515 54.840 -0.207 0.000 0.848 407 L CB 1.988 43.964 42.059 -0.139 0.000 1.334 407 L HN 0.555 nan 8.230 nan 0.000 0.407 408 Y N 1.935 122.371 120.300 0.227 0.000 2.411 408 Y HA 0.349 4.908 4.550 0.014 0.000 0.333 408 Y C 0.258 176.288 175.900 0.217 0.000 1.186 408 Y CA -0.578 57.692 58.100 0.283 0.000 1.381 408 Y CB 1.306 39.901 38.460 0.225 0.000 1.273 408 Y HN 0.175 nan 8.280 nan 0.000 0.546 409 V N 3.931 124.035 119.914 0.317 0.000 2.680 409 V HA 0.328 4.455 4.120 0.013 0.000 0.309 409 V C -0.671 175.508 176.094 0.142 0.000 1.052 409 V CA -1.005 61.422 62.300 0.211 0.000 0.908 409 V CB 2.037 33.943 31.823 0.139 0.000 1.001 409 V HN 0.421 nan 8.190 nan 0.000 0.431 410 V N 2.852 122.821 119.914 0.091 0.000 2.311 410 V HA 0.328 4.455 4.120 0.013 0.000 0.275 410 V C -0.394 175.736 176.094 0.060 0.000 1.022 410 V CA -0.408 61.895 62.300 0.005 0.000 0.830 410 V CB 1.347 33.070 31.823 -0.168 0.000 1.012 410 V HN 0.864 nan 8.190 nan 0.000 0.452 411 D N 4.144 124.622 120.400 0.130 0.000 2.295 411 D HA 0.306 4.954 4.640 0.013 0.000 0.248 411 D C -0.184 176.315 176.300 0.331 0.000 1.154 411 D CA 0.043 54.219 54.000 0.292 0.000 0.857 411 D CB 1.232 42.244 40.800 0.353 0.000 1.117 411 D HN 0.674 nan 8.370 nan 0.000 0.468 412 E N 1.726 122.087 120.200 0.269 0.000 2.210 412 E HA 0.615 4.972 4.350 0.013 0.000 0.266 412 E C -0.992 175.753 176.600 0.243 0.000 0.883 412 E CA -1.055 55.487 56.400 0.238 0.000 0.761 412 E CB 1.357 31.148 29.700 0.153 0.000 1.156 412 E HN 0.458 nan 8.360 nan 0.000 0.412 413 A N 3.831 126.785 122.820 0.225 0.000 2.498 413 A HA 0.033 4.360 4.320 0.013 0.000 0.239 413 A C 0.293 178.006 177.584 0.215 0.000 1.068 413 A CA -0.129 52.017 52.037 0.183 0.000 0.766 413 A CB 0.090 19.166 19.000 0.127 0.000 1.003 413 A HN 0.679 nan 8.150 nan 0.000 0.497 414 N N 1.485 120.317 118.700 0.222 0.000 3.050 414 N HA 0.289 5.036 4.740 0.013 0.000 0.289 414 N C -1.028 174.614 175.510 0.221 0.000 1.209 414 N CA 0.138 53.354 53.050 0.277 0.000 1.154 414 N CB -0.798 37.854 38.487 0.275 0.000 1.444 414 N HN 0.473 nan 8.380 nan 0.000 0.529 415 I N 0.927 121.623 120.570 0.210 0.000 2.497 415 I HA 0.282 4.460 4.170 0.013 0.000 0.284 415 I C -0.603 175.620 176.117 0.178 0.000 1.060 415 I CA -0.647 60.758 61.300 0.176 0.000 1.071 415 I CB 1.740 39.817 38.000 0.129 0.000 1.216 415 I HN 0.245 nan 8.210 nan 0.000 0.442 416 E N 4.384 124.680 120.200 0.160 0.000 2.294 416 E HA 0.399 4.756 4.350 0.013 0.000 0.272 416 E C -0.567 176.084 176.600 0.085 0.000 0.896 416 E CA -0.480 55.981 56.400 0.102 0.000 0.802 416 E CB 1.643 31.382 29.700 0.065 0.000 1.267 416 E HN 0.613 nan 8.360 nan 0.000 0.406 417 T N 0.729 115.320 114.554 0.062 0.000 3.487 417 T HA 0.187 4.545 4.350 0.013 0.000 0.287 417 T C 0.842 175.538 174.700 -0.007 0.000 1.004 417 T CA -0.380 61.777 62.100 0.096 0.000 0.977 417 T CB 0.401 69.324 68.868 0.091 0.000 1.180 417 T HN 0.559 nan 8.240 nan 0.000 0.490 418 E N 1.378 121.501 120.200 -0.129 0.000 2.130 418 E HA -0.121 4.236 4.350 0.013 0.000 0.196 418 E C 2.144 178.621 176.600 -0.205 0.000 0.998 418 E CA 1.557 57.851 56.400 -0.177 0.000 0.806 418 E CB -0.687 28.871 29.700 -0.238 0.000 0.738 418 E HN 0.724 nan 8.360 nan 0.000 0.459 419 G N 0.463 109.044 108.800 -0.364 0.000 2.559 419 G HA2 -0.128 3.840 3.960 0.013 0.000 0.216 419 G HA3 -0.128 3.840 3.960 0.013 0.000 0.216 419 G C 0.803 175.774 174.900 0.119 0.000 1.126 419 G CA 0.088 45.024 45.100 -0.273 0.000 0.778 419 G HN 0.098 nan 8.290 nan 0.000 0.543 420 M N 0.101 119.813 119.600 0.186 0.000 2.198 420 M HA 0.346 4.834 4.480 0.013 0.000 0.315 420 M C -0.392 175.920 176.300 0.021 0.000 1.134 420 M CA -0.201 55.172 55.300 0.123 0.000 1.171 420 M CB 1.334 33.966 32.600 0.053 0.000 1.413 420 M HN -0.201 nan 8.290 nan 0.000 0.467 421 V N 3.282 123.198 119.914 0.002 0.000 2.488 421 V HA 0.351 4.478 4.120 0.013 0.000 0.293 421 V C -2.031 174.049 176.094 -0.024 0.000 1.027 421 V CA -1.278 61.010 62.300 -0.020 0.000 0.862 421 V CB 1.872 33.682 31.823 -0.021 0.000 1.008 421 V HN 0.723 nan 8.190 nan 0.000 0.428 422 P HA 0.260 nan 4.420 nan 0.000 0.275 422 P C 1.006 178.293 177.300 -0.022 0.000 1.266 422 P CA -0.525 62.559 63.100 -0.027 0.000 0.793 422 P CB 1.028 32.717 31.700 -0.019 0.000 1.074 423 M N 0.692 120.279 119.600 -0.022 0.000 2.267 423 M HA -0.173 4.314 4.480 0.013 0.000 0.263 423 M C 1.202 177.514 176.300 0.021 0.000 1.063 423 M CA 1.813 57.107 55.300 -0.009 0.000 1.090 423 M CB -0.482 32.105 32.600 -0.021 0.000 1.392 423 M HN 0.368 nan 8.290 nan 0.000 0.422 424 N N -0.077 118.641 118.700 0.029 0.000 2.370 424 N HA -0.089 4.659 4.740 0.013 0.000 0.198 424 N C 1.159 176.653 175.510 -0.026 0.000 1.156 424 N CA 0.222 53.296 53.050 0.041 0.000 0.839 424 N CB -0.754 37.777 38.487 0.074 0.000 0.989 424 N HN 0.365 nan 8.380 nan 0.000 0.468 425 R N 0.371 120.841 120.500 -0.051 0.000 2.117 425 R HA -0.014 4.334 4.340 0.013 0.000 0.243 425 R C 1.459 177.665 176.300 -0.157 0.000 1.143 425 R CA 1.396 57.444 56.100 -0.088 0.000 0.968 425 R CB -0.035 30.209 30.300 -0.093 0.000 0.863 425 R HN 0.296 nan 8.270 nan 0.000 0.444 426 L N -0.887 120.184 121.223 -0.253 0.000 2.253 426 L HA 0.013 4.360 4.340 0.013 0.000 0.205 426 L C 2.383 179.115 176.870 -0.231 0.000 1.078 426 L CA 1.209 55.775 54.840 -0.457 0.000 0.805 426 L CB -0.348 41.191 42.059 -0.868 0.000 0.963 426 L HN 0.355 nan 8.230 nan 0.000 0.459 427 T N -4.436 110.023 114.554 -0.159 0.000 3.072 427 T HA -0.146 4.211 4.350 0.013 0.000 0.266 427 T C 1.231 175.856 174.700 -0.126 0.000 1.127 427 T CA 1.039 63.036 62.100 -0.172 0.000 1.107 427 T CB -0.192 68.540 68.868 -0.226 0.000 0.910 427 T HN 0.093 nan 8.240 nan 0.000 0.513 428 D N 1.157 121.514 120.400 -0.071 0.000 2.349 428 D HA 0.089 4.736 4.640 0.013 0.000 0.214 428 D C -0.215 176.071 176.300 -0.024 0.000 1.063 428 D CA -0.196 53.772 54.000 -0.054 0.000 0.847 428 D CB -0.082 40.691 40.800 -0.044 0.000 0.933 428 D HN 0.321 nan 8.370 nan 0.000 0.513 429 D N -0.163 120.240 120.400 0.006 0.000 2.280 429 D HA 0.127 4.775 4.640 0.013 0.000 0.236 429 D C -1.690 174.669 176.300 0.098 0.000 1.082 429 D CA -2.224 51.819 54.000 0.071 0.000 0.834 429 D CB 2.077 42.967 40.800 0.150 0.000 1.100 429 D HN -0.050 nan 8.370 nan 0.000 0.486 430 P HA -0.120 nan 4.420 nan 0.000 0.221 430 P C 0.909 178.209 177.300 -0.001 0.000 1.145 430 P CA 0.752 63.860 63.100 0.014 0.000 0.795 430 P CB 0.248 31.945 31.700 -0.005 0.000 0.775 431 R N -1.877 118.632 120.500 0.014 0.000 2.280 431 R HA -0.038 4.309 4.340 0.013 0.000 0.207 431 R C 1.284 177.431 176.300 -0.255 0.000 1.043 431 R CA 0.834 56.864 56.100 -0.116 0.000 1.006 431 R CB -0.698 29.514 30.300 -0.146 0.000 0.885 431 R HN 0.354 nan 8.270 nan 0.000 0.467 432 W N 0.235 121.477 121.300 -0.096 0.000 3.220 432 W HA 0.161 4.828 4.660 0.012 0.000 0.328 432 W C 1.520 177.977 176.519 -0.104 0.000 1.205 432 W CA -0.577 56.709 57.345 -0.098 0.000 1.773 432 W CB 0.061 29.462 29.460 -0.099 0.000 1.086 432 W HN -0.025 nan 8.180 nan 0.000 0.622 433 L N 2.136 123.381 121.223 0.037 0.000 2.046 433 L HA -0.024 4.324 4.340 0.013 0.000 0.208 433 L C -0.735 176.096 176.870 -0.065 0.000 1.077 433 L CA 2.198 57.025 54.840 -0.023 0.000 0.747 433 L CB -1.564 40.472 42.059 -0.038 0.000 0.896 433 L HN -0.241 nan 8.230 nan 0.000 0.432 434 P HA -0.109 nan 4.420 nan 0.000 0.215 434 P C 1.612 178.851 177.300 -0.102 0.000 1.157 434 P CA 2.072 65.104 63.100 -0.114 0.000 0.863 434 P CB -0.197 31.422 31.700 -0.135 0.000 0.787 435 A N -1.043 121.726 122.820 -0.085 0.000 1.902 435 A HA -0.179 4.148 4.320 0.013 0.000 0.217 435 A C 2.242 179.834 177.584 0.015 0.000 1.181 435 A CA 1.818 53.840 52.037 -0.025 0.000 0.623 435 A CB -1.439 17.575 19.000 0.023 0.000 0.818 435 A HN 0.096 nan 8.150 nan 0.000 0.443 436 M N 0.091 119.707 119.600 0.026 0.000 2.132 436 M HA -0.149 4.338 4.480 0.013 0.000 0.263 436 M C 2.594 178.835 176.300 -0.097 0.000 1.065 436 M CA 1.782 57.073 55.300 -0.015 0.000 1.122 436 M CB -0.352 32.217 32.600 -0.051 0.000 1.365 436 M HN 0.661 nan 8.290 nan 0.000 0.411 437 S N 0.322 115.935 115.700 -0.145 0.000 2.370 437 S HA -0.200 4.277 4.470 0.013 0.000 0.226 437 S C 1.659 176.085 174.600 -0.290 0.000 1.033 437 S CA 1.536 59.581 58.200 -0.257 0.000 1.011 437 S CB -0.600 62.438 63.200 -0.271 0.000 0.852 437 S HN 0.505 nan 8.310 nan 0.000 0.457 438 E N 0.995 121.078 120.200 -0.195 0.000 2.110 438 E HA -0.116 4.241 4.350 0.013 0.000 0.193 438 E C 2.465 178.977 176.600 -0.147 0.000 0.988 438 E CA 1.028 57.323 56.400 -0.176 0.000 0.804 438 E CB -0.151 29.481 29.700 -0.113 0.000 0.745 438 E HN 0.607 nan 8.360 nan 0.000 0.458 439 R N 0.104 120.548 120.500 -0.093 0.000 2.115 439 R HA -0.075 4.273 4.340 0.013 0.000 0.230 439 R C 2.341 178.598 176.300 -0.072 0.000 1.111 439 R CA 0.764 56.839 56.100 -0.041 0.000 0.976 439 R CB -0.028 30.287 30.300 0.025 0.000 0.870 439 R HN 0.019 nan 8.270 nan 0.000 0.445 440 V N 0.322 120.148 119.914 -0.146 0.000 2.331 440 V HA -0.187 3.941 4.120 0.013 0.000 0.242 440 V C 2.532 178.442 176.094 -0.307 0.000 1.034 440 V CA 2.168 64.360 62.300 -0.181 0.000 1.027 440 V CB -0.351 31.354 31.823 -0.196 0.000 0.667 440 V HN 0.523 nan 8.190 nan 0.000 0.457 441 T N -0.745 113.496 114.554 -0.521 0.000 2.788 441 T HA -0.241 4.117 4.350 0.013 0.000 0.268 441 T C 1.919 176.447 174.700 -0.287 0.000 1.044 441 T CA 1.410 63.099 62.100 -0.685 0.000 1.139 441 T CB -0.414 67.855 68.868 -0.998 0.000 0.867 441 T HN 0.406 nan 8.240 nan 0.000 0.454 442 R N 0.242 120.605 120.500 -0.228 0.000 2.189 442 R HA 0.233 4.581 4.340 0.013 0.000 0.218 442 R C 2.609 178.830 176.300 -0.131 0.000 1.074 442 R CA 1.196 57.203 56.100 -0.156 0.000 0.991 442 R CB -0.433 29.783 30.300 -0.140 0.000 0.883 442 R HN 0.516 nan 8.270 nan 0.000 0.457 443 M N 0.536 120.065 119.600 -0.118 0.000 2.099 443 M HA -0.127 4.361 4.480 0.013 0.000 0.262 443 M C 1.804 178.036 176.300 -0.114 0.000 1.067 443 M CA 1.662 56.924 55.300 -0.062 0.000 1.124 443 M CB 0.092 32.698 32.600 0.010 0.000 1.353 443 M HN -0.041 nan 8.290 nan 0.000 0.410 444 V N 1.224 120.964 119.914 -0.291 0.000 2.343 444 V HA -0.286 3.842 4.120 0.013 0.000 0.247 444 V C 2.311 178.297 176.094 -0.181 0.000 1.051 444 V CA 2.064 64.062 62.300 -0.503 0.000 1.036 444 V CB -1.036 30.432 31.823 -0.593 0.000 0.654 444 V HN 0.595 nan 8.190 nan 0.000 0.451 445 Q N -0.507 119.227 119.800 -0.110 0.000 2.181 445 Q HA -0.240 4.107 4.340 0.013 0.000 0.205 445 Q C 2.458 178.379 176.000 -0.132 0.000 0.980 445 Q CA 1.680 57.429 55.803 -0.090 0.000 0.862 445 Q CB -0.218 28.486 28.738 -0.058 0.000 0.905 445 Q HN 0.558 nan 8.270 nan 0.000 0.429 446 R N 0.285 120.700 120.500 -0.143 0.000 2.127 446 R HA -0.078 4.270 4.340 0.013 0.000 0.217 446 R C 0.414 176.642 176.300 -0.120 0.000 1.074 446 R CA 1.165 57.156 56.100 -0.181 0.000 0.991 446 R CB 0.475 30.663 30.300 -0.186 0.000 0.895 446 R HN 0.132 nan 8.270 nan 0.000 0.450 447 D N -0.026 120.366 120.400 -0.012 0.000 2.398 447 D HA 0.003 4.650 4.640 0.013 0.000 0.210 447 D C 1.300 177.715 176.300 0.192 0.000 1.094 447 D CA 0.047 54.089 54.000 0.069 0.000 0.839 447 D CB 0.318 41.110 40.800 -0.013 0.000 0.963 447 D HN 0.360 nan 8.370 nan 0.000 0.506 448 R N 0.689 121.311 120.500 0.204 0.000 2.249 448 R HA -0.020 4.327 4.340 0.013 0.000 0.230 448 R C 0.793 177.101 176.300 0.013 0.000 1.121 448 R CA 0.985 57.216 56.100 0.218 0.000 0.997 448 R CB -0.246 30.106 30.300 0.087 0.000 0.867 448 R HN -0.095 nan 8.270 nan 0.000 0.465 449 N N 0.173 118.804 118.700 -0.115 0.000 2.336 449 N HA -0.000 4.747 4.740 0.013 0.000 0.189 449 N C -0.525 174.873 175.510 -0.187 0.000 1.113 449 N CA 0.241 53.191 53.050 -0.166 0.000 0.858 449 N CB 0.110 38.452 38.487 -0.242 0.000 0.970 449 N HN 0.281 nan 8.380 nan 0.000 0.471 450 H N 1.472 120.481 119.070 -0.101 0.000 2.800 450 H HA 0.102 4.665 4.556 0.012 0.000 0.291 450 H C -1.179 174.004 175.328 -0.242 0.000 1.076 450 H CA -1.321 54.654 56.048 -0.122 0.000 1.452 450 H CB 1.483 31.210 29.762 -0.057 0.000 1.461 450 H HN 0.055 nan 8.280 nan 0.000 0.488 451 P HA -0.180 nan 4.420 nan 0.000 0.218 451 P C 1.504 178.324 177.300 -0.800 0.000 1.148 451 P CA 1.339 64.071 63.100 -0.613 0.000 0.822 451 P CB 0.259 31.332 31.700 -1.046 0.000 0.784 452 S N -0.675 114.671 115.700 -0.591 0.000 2.400 452 S HA -0.070 4.408 4.470 0.013 0.000 0.232 452 S C 1.126 175.687 174.600 -0.064 0.000 1.025 452 S CA 0.549 58.574 58.200 -0.292 0.000 0.993 452 S CB -1.620 61.566 63.200 -0.023 0.000 0.808 452 S HN -0.042 nan 8.310 nan 0.000 0.478 453 V N 3.751 123.606 119.914 -0.098 0.000 2.446 453 V HA 0.201 4.328 4.120 0.013 0.000 0.276 453 V C 1.148 177.099 176.094 -0.238 0.000 1.030 453 V CA 0.167 62.373 62.300 -0.157 0.000 1.033 453 V CB 0.232 31.877 31.823 -0.298 0.000 0.993 453 V HN 0.643 nan 8.190 nan 0.000 0.477 454 I N 2.588 123.076 120.570 -0.138 0.000 4.187 454 I HA 0.503 4.681 4.170 0.013 0.000 0.326 454 I C 0.392 176.389 176.117 -0.200 0.000 1.302 454 I CA 0.515 61.742 61.300 -0.122 0.000 1.196 454 I CB 0.483 38.498 38.000 0.026 0.000 1.095 454 I HN 0.321 nan 8.210 nan 0.000 0.411 455 I N 0.238 120.663 120.570 -0.241 0.000 2.656 455 I HA 0.353 4.530 4.170 0.013 0.000 0.292 455 I C -1.513 174.479 176.117 -0.208 0.000 1.144 455 I CA -0.391 60.800 61.300 -0.181 0.000 1.038 455 I CB 2.040 40.040 38.000 -0.000 0.000 1.244 455 I HN 0.026 nan 8.210 nan 0.000 0.420 456 W N 4.153 125.504 121.300 0.085 0.000 2.438 456 W HA 0.600 5.266 4.660 0.011 0.000 0.324 456 W C 0.494 177.081 176.519 0.113 0.000 1.119 456 W CA -0.500 56.901 57.345 0.094 0.000 1.221 456 W CB 1.641 31.151 29.460 0.084 0.000 1.253 456 W HN 0.346 nan 8.180 nan 0.000 0.555 457 S N 2.804 118.750 115.700 0.409 0.000 2.503 457 S HA 0.416 4.893 4.470 0.013 0.000 0.301 457 S C 0.193 174.974 174.600 0.302 0.000 1.087 457 S CA -0.754 57.631 58.200 0.308 0.000 1.042 457 S CB 0.912 64.240 63.200 0.214 0.000 1.043 457 S HN 0.570 nan 8.310 nan 0.000 0.489 458 L N 3.724 125.126 121.223 0.299 0.000 2.610 458 L HA 0.357 4.704 4.340 0.013 0.000 0.232 458 L C 1.399 178.361 176.870 0.153 0.000 1.149 458 L CA 0.460 55.400 54.840 0.167 0.000 0.872 458 L CB -1.286 40.769 42.059 -0.006 0.000 0.992 458 L HN 1.023 nan 8.230 nan 0.000 0.447 459 G N 0.158 109.123 108.800 0.276 0.000 2.280 459 G HA2 -0.132 3.836 3.960 0.013 0.000 0.277 459 G HA3 -0.132 3.836 3.960 0.013 0.000 0.277 459 G C -1.614 173.492 174.900 0.343 0.000 1.288 459 G CA -0.504 44.760 45.100 0.272 0.000 1.075 459 G HN 0.205 nan 8.290 nan 0.000 0.480 460 N N -0.125 118.717 118.700 0.237 0.000 2.484 460 N HA 0.479 5.226 4.740 0.013 0.000 0.269 460 N C -0.414 175.092 175.510 -0.006 0.000 1.237 460 N CA 0.135 53.188 53.050 0.006 0.000 0.838 460 N CB 1.594 39.787 38.487 -0.490 0.000 1.593 460 N HN 0.929 nan 8.380 nan 0.000 0.485 461 E N 0.458 120.596 120.200 -0.104 0.000 2.160 461 E HA -0.180 4.178 4.350 0.013 0.000 0.180 461 E C -0.799 175.812 176.600 0.018 0.000 1.452 461 E CA 0.800 57.143 56.400 -0.096 0.000 0.683 461 E CB -1.269 28.315 29.700 -0.194 0.000 1.072 461 E HN 0.434 nan 8.360 nan 0.000 0.332 462 S N 0.000 115.805 115.700 0.175 0.000 2.952 462 S HA 0.401 4.879 4.470 0.013 0.000 0.251 462 S C 0.611 175.383 174.600 0.287 0.000 1.021 462 S CA -0.155 58.183 58.200 0.231 0.000 1.067 462 S CB 1.399 64.790 63.200 0.318 0.000 1.002 462 S HN 0.846 nan 8.310 nan 0.000 0.574 463 G N 1.951 110.864 108.800 0.187 0.000 2.641 463 G HA2 -0.261 3.706 3.960 0.013 0.000 0.254 463 G HA3 -0.261 3.706 3.960 0.013 0.000 0.254 463 G C -0.536 174.565 174.900 0.336 0.000 1.315 463 G CA -0.183 45.025 45.100 0.179 0.000 0.907 463 G HN 0.633 nan 8.290 nan 0.000 0.572 464 H N 0.424 119.613 119.070 0.197 0.000 2.970 464 H HA 0.563 5.126 4.556 0.012 0.000 0.315 464 H C 0.343 175.833 175.328 0.269 0.000 0.992 464 H CA -0.096 56.102 56.048 0.249 0.000 1.363 464 H CB 0.466 30.315 29.762 0.146 0.000 1.532 464 H HN 1.021 nan 8.280 nan 0.000 0.514 465 G N 1.583 110.514 108.800 0.219 0.000 2.473 465 G HA2 0.441 4.409 3.960 0.013 0.000 0.321 465 G HA3 0.441 4.409 3.960 0.013 0.000 0.321 465 G C 0.698 175.509 174.900 -0.148 0.000 1.200 465 G CA -0.152 44.910 45.100 -0.064 0.000 0.963 465 G HN 0.684 nan 8.290 nan 0.000 0.483 466 A N 0.859 123.597 122.820 -0.138 0.000 2.024 466 A HA -0.127 4.200 4.320 0.013 0.000 0.220 466 A C 2.153 179.718 177.584 -0.032 0.000 1.164 466 A CA 1.847 53.839 52.037 -0.075 0.000 0.643 466 A CB -0.398 18.575 19.000 -0.045 0.000 0.806 466 A HN 0.561 nan 8.150 nan 0.000 0.451 467 N N -0.243 118.403 118.700 -0.090 0.000 2.205 467 N HA -0.159 4.589 4.740 0.013 0.000 0.186 467 N C 1.371 176.815 175.510 -0.110 0.000 1.015 467 N CA 1.770 54.748 53.050 -0.121 0.000 0.862 467 N CB -0.675 37.701 38.487 -0.186 0.000 0.986 467 N HN 0.796 nan 8.380 nan 0.000 0.429 468 H N 0.235 119.299 119.070 -0.011 0.000 2.389 468 H HA -0.004 4.559 4.556 0.012 0.000 0.299 468 H C 1.291 176.693 175.328 0.123 0.000 1.081 468 H CA 1.135 57.186 56.048 0.005 0.000 1.345 468 H CB 0.189 29.972 29.762 0.035 0.000 1.393 468 H HN 0.176 nan 8.280 nan 0.000 0.520 469 D N 0.319 120.876 120.400 0.263 0.000 2.117 469 D HA -0.121 4.527 4.640 0.013 0.000 0.197 469 D C 2.302 178.750 176.300 0.247 0.000 0.987 469 D CA 1.170 55.318 54.000 0.246 0.000 0.829 469 D CB -0.312 40.594 40.800 0.177 0.000 0.961 469 D HN 0.420 nan 8.370 nan 0.000 0.460 470 A N 0.784 123.702 122.820 0.163 0.000 1.902 470 A HA -0.110 4.217 4.320 0.013 0.000 0.217 470 A C 2.411 180.104 177.584 0.182 0.000 1.181 470 A CA 0.915 53.039 52.037 0.145 0.000 0.623 470 A CB -0.732 18.310 19.000 0.070 0.000 0.818 470 A HN 0.194 nan 8.150 nan 0.000 0.443 471 L N -2.100 119.214 121.223 0.151 0.000 2.156 471 L HA -0.121 4.226 4.340 0.013 0.000 0.208 471 L C 2.533 179.550 176.870 0.245 0.000 1.095 471 L CA 1.319 56.251 54.840 0.152 0.000 0.770 471 L CB -0.603 41.475 42.059 0.032 0.000 0.914 471 L HN 0.620 nan 8.230 nan 0.000 0.439 472 Y N 1.303 121.689 120.300 0.144 0.000 2.128 472 Y HA -0.353 4.203 4.550 0.010 0.000 0.284 472 Y C 2.814 178.798 175.900 0.140 0.000 1.154 472 Y CA 1.902 60.090 58.100 0.148 0.000 1.149 472 Y CB -0.151 38.397 38.460 0.147 0.000 0.976 472 Y HN -0.028 nan 8.280 nan 0.000 0.505 473 R N -0.183 120.442 120.500 0.208 0.000 2.075 473 R HA -0.200 4.148 4.340 0.013 0.000 0.232 473 R C 2.060 178.380 176.300 0.033 0.000 1.126 473 R CA 1.948 58.099 56.100 0.085 0.000 0.963 473 R CB -1.448 28.974 30.300 0.203 0.000 0.858 473 R HN 0.650 nan 8.270 nan 0.000 0.435 474 W N 0.608 121.874 121.300 -0.057 0.000 2.335 474 W HA -0.161 4.507 4.660 0.013 0.000 0.311 474 W C 1.615 178.045 176.519 -0.148 0.000 1.213 474 W CA 2.045 59.339 57.345 -0.086 0.000 1.274 474 W CB -0.297 29.113 29.460 -0.084 0.000 1.148 474 W HN 0.088 nan 8.180 nan 0.000 0.498 475 I N 0.944 121.531 120.570 0.028 0.000 2.127 475 I HA -0.381 3.796 4.170 0.013 0.000 0.241 475 I C 2.471 178.370 176.117 -0.363 0.000 1.075 475 I CA 1.556 62.698 61.300 -0.264 0.000 1.334 475 I CB -0.829 37.086 38.000 -0.143 0.000 1.040 475 I HN -0.100 nan 8.210 nan 0.000 0.405 476 K N 0.492 120.699 120.400 -0.322 0.000 2.160 476 K HA -0.207 4.121 4.320 0.013 0.000 0.206 476 K C 2.236 178.694 176.600 -0.236 0.000 1.047 476 K CA 1.798 57.919 56.287 -0.275 0.000 0.930 476 K CB -0.657 31.656 32.500 -0.312 0.000 0.720 476 K HN 0.362 nan 8.250 nan 0.000 0.450 477 S N 0.997 116.520 115.700 -0.294 0.000 2.377 477 S HA -0.084 4.393 4.470 0.013 0.000 0.223 477 S C 2.065 176.438 174.600 -0.378 0.000 1.030 477 S CA 1.152 59.180 58.200 -0.286 0.000 0.970 477 S CB -0.174 62.879 63.200 -0.244 0.000 0.830 477 S HN 0.170 nan 8.310 nan 0.000 0.473 478 V N -0.719 118.816 119.914 -0.632 0.000 2.951 478 V HA 0.285 4.412 4.120 0.013 0.000 0.255 478 V C 0.276 176.120 176.094 -0.418 0.000 1.088 478 V CA 1.352 63.278 62.300 -0.624 0.000 1.109 478 V CB -0.438 30.790 31.823 -0.993 0.000 0.724 478 V HN 0.472 nan 8.190 nan 0.000 0.471 479 D N 0.209 120.413 120.400 -0.327 0.000 2.363 479 D HA 0.412 5.059 4.640 0.013 0.000 0.258 479 D C -2.354 173.919 176.300 -0.044 0.000 1.259 479 D CA -1.843 52.076 54.000 -0.136 0.000 0.921 479 D CB 1.757 42.562 40.800 0.008 0.000 1.201 479 D HN 0.135 nan 8.370 nan 0.000 0.524 480 P HA -0.006 nan 4.420 nan 0.000 0.237 480 P C 1.059 178.372 177.300 0.022 0.000 1.178 480 P CA 0.468 63.554 63.100 -0.023 0.000 0.766 480 P CB 0.191 31.873 31.700 -0.031 0.000 0.876 481 S N -1.598 114.127 115.700 0.041 0.000 2.603 481 S HA 0.118 4.595 4.470 0.013 0.000 0.220 481 S C 0.804 175.431 174.600 0.044 0.000 0.967 481 S CA -0.127 58.103 58.200 0.050 0.000 0.920 481 S CB -0.310 62.914 63.200 0.040 0.000 0.773 481 S HN 0.022 nan 8.310 nan 0.000 0.529 482 R N 1.043 121.581 120.500 0.064 0.000 2.621 482 R HA 0.520 4.867 4.340 0.013 0.000 0.284 482 R C -3.181 173.161 176.300 0.071 0.000 0.998 482 R CA -2.113 53.989 56.100 0.003 0.000 0.895 482 R CB 1.671 31.869 30.300 -0.171 0.000 1.195 482 R HN 0.144 nan 8.270 nan 0.000 0.450 483 P HA 0.067 nan 4.420 nan 0.000 0.271 483 P C -0.834 176.564 177.300 0.163 0.000 1.233 483 P CA -0.360 62.799 63.100 0.099 0.000 0.789 483 P CB 0.639 32.386 31.700 0.079 0.000 0.951 484 V N 1.684 121.725 119.914 0.212 0.000 2.448 484 V HA 0.373 4.501 4.120 0.013 0.000 0.295 484 V C 0.206 176.488 176.094 0.313 0.000 1.025 484 V CA -0.301 62.176 62.300 0.295 0.000 0.859 484 V CB 1.085 33.042 31.823 0.224 0.000 0.988 484 V HN 0.590 nan 8.190 nan 0.000 0.431 485 Q N 3.849 123.815 119.800 0.275 0.000 2.416 485 Q HA 0.818 5.166 4.340 0.013 0.000 0.279 485 Q C -1.745 174.416 176.000 0.268 0.000 1.101 485 Q CA -0.933 54.998 55.803 0.213 0.000 0.830 485 Q CB 2.917 31.729 28.738 0.124 0.000 1.402 485 Q HN 0.635 nan 8.270 nan 0.000 0.445 486 Y N 0.095 120.411 120.300 0.027 0.000 2.294 486 Y HA 0.116 4.673 4.550 0.011 0.000 0.316 486 Y C -0.483 175.363 175.900 -0.090 0.000 1.265 486 Y CA -0.690 57.392 58.100 -0.029 0.000 1.149 486 Y CB 1.828 40.263 38.460 -0.042 0.000 1.293 486 Y HN 0.970 nan 8.280 nan 0.000 0.416 487 E N 3.548 123.304 120.200 -0.741 0.000 2.230 487 E HA 0.099 4.457 4.350 0.013 0.000 0.192 487 E C 0.796 176.976 176.600 -0.701 0.000 0.987 487 E CA 0.846 56.905 56.400 -0.568 0.000 0.841 487 E CB 0.179 29.663 29.700 -0.359 0.000 0.783 487 E HN 0.897 nan 8.360 nan 0.000 0.481 488 G N -0.052 107.917 108.800 -1.384 0.000 2.464 488 G HA2 0.153 4.121 3.960 0.013 0.000 0.231 488 G HA3 0.153 4.121 3.960 0.013 0.000 0.231 488 G C 0.820 175.568 174.900 -0.253 0.000 1.267 488 G CA 0.386 45.059 45.100 -0.711 0.000 0.863 488 G HN 0.389 nan 8.290 nan 0.000 0.559 489 G N -0.419 108.347 108.800 -0.056 0.000 2.198 489 G HA2 0.218 4.185 3.960 0.013 0.000 0.260 489 G HA3 0.218 4.185 3.960 0.013 0.000 0.260 489 G C 1.324 176.234 174.900 0.017 0.000 1.025 489 G CA 1.061 46.188 45.100 0.044 0.000 0.769 489 G HN 2.654 nan 8.290 nan 0.000 0.507 490 G N -1.732 107.069 108.800 0.002 0.000 2.205 490 G HA2 0.412 4.380 3.960 0.013 0.000 0.180 490 G HA3 0.412 4.380 3.960 0.013 0.000 0.180 490 G C 1.073 176.090 174.900 0.194 0.000 1.004 490 G CA 1.259 46.425 45.100 0.109 0.000 0.670 490 G HN 2.337 nan 8.290 nan 0.000 0.496 491 A N -0.211 122.606 122.820 -0.005 0.000 3.413 491 A HA -0.137 4.190 4.320 0.013 0.000 0.268 491 A C 1.145 178.670 177.584 -0.098 0.000 1.128 491 A CA 2.708 54.684 52.037 -0.102 0.000 1.062 491 A CB -1.746 17.166 19.000 -0.146 0.000 1.121 491 A HN 2.123 nan 8.150 nan 0.000 0.895 492 D N -1.125 119.302 120.400 0.044 0.000 2.712 492 D HA 0.293 4.940 4.640 0.013 0.000 0.300 492 D C 0.444 176.751 176.300 0.013 0.000 1.521 492 D CA 0.868 54.901 54.000 0.054 0.000 0.790 492 D CB -1.198 39.781 40.800 0.298 0.000 1.155 492 D HN 0.820 nan 8.370 nan 0.000 0.456 493 T N -2.131 112.363 114.554 -0.101 0.000 2.681 493 T HA 0.179 4.537 4.350 0.013 0.000 0.333 493 T C 1.532 176.110 174.700 -0.204 0.000 1.049 493 T CA 0.617 62.592 62.100 -0.207 0.000 1.002 493 T CB 0.563 69.067 68.868 -0.607 0.000 1.161 493 T HN 0.083 nan 8.240 nan 0.000 0.519 494 T N -2.789 111.639 114.554 -0.210 0.000 3.148 494 T HA 0.346 4.703 4.350 0.013 0.000 0.253 494 T C 1.405 175.864 174.700 -0.402 0.000 1.134 494 T CA 0.101 62.086 62.100 -0.191 0.000 1.051 494 T CB -0.375 68.463 68.868 -0.051 0.000 0.959 494 T HN 0.817 nan 8.240 nan 0.000 0.525 495 A N 0.587 123.179 122.820 -0.379 0.000 2.507 495 A HA 0.535 4.862 4.320 0.013 0.000 0.270 495 A C 0.723 178.152 177.584 -0.259 0.000 1.318 495 A CA -0.378 51.414 52.037 -0.408 0.000 0.924 495 A CB 0.036 19.050 19.000 0.024 0.000 1.061 495 A HN 0.404 nan 8.150 nan 0.000 0.516 496 T N -1.260 113.145 114.554 -0.249 0.000 2.971 496 T HA 0.353 4.711 4.350 0.013 0.000 0.304 496 T C -0.623 174.105 174.700 0.046 0.000 1.038 496 T CA -0.439 61.671 62.100 0.016 0.000 1.007 496 T CB 1.192 70.059 68.868 -0.001 0.000 1.055 496 T HN 0.104 nan 8.240 nan 0.000 0.451 497 D N 2.938 123.454 120.400 0.193 0.000 2.348 497 D HA 0.263 4.911 4.640 0.013 0.000 0.211 497 D C 0.436 176.775 176.300 0.065 0.000 0.998 497 D CA 0.708 54.803 54.000 0.159 0.000 0.873 497 D CB 0.452 41.371 40.800 0.199 0.000 0.925 497 D HN 0.541 nan 8.370 nan 0.000 0.524 498 I N 0.826 121.417 120.570 0.035 0.000 2.608 498 I HA 0.270 4.448 4.170 0.013 0.000 0.295 498 I C -0.205 175.855 176.117 -0.096 0.000 1.049 498 I CA -0.990 60.294 61.300 -0.026 0.000 1.063 498 I CB 2.817 40.812 38.000 -0.008 0.000 1.248 498 I HN -0.366 nan 8.210 nan 0.000 0.424 499 I N 5.251 125.715 120.570 -0.176 0.000 2.452 499 I HA 0.078 4.256 4.170 0.013 0.000 0.287 499 I C 0.062 175.979 176.117 -0.333 0.000 1.079 499 I CA -0.016 61.087 61.300 -0.330 0.000 1.387 499 I CB 0.239 37.929 38.000 -0.515 0.000 1.404 499 I HN 0.655 nan 8.210 nan 0.000 0.522 500 C N 5.548 124.664 119.300 -0.307 0.000 3.495 500 C HA 0.453 4.921 4.460 0.013 0.000 0.201 500 C C -2.191 172.663 174.990 -0.227 0.000 1.408 500 C CA -2.292 56.594 59.018 -0.220 0.000 1.367 500 C CB -0.825 26.847 27.740 -0.113 0.000 1.845 500 C HN 0.420 nan 8.230 nan 0.000 0.500 501 P HA 0.263 nan 4.420 nan 0.000 0.271 501 P C -0.415 176.830 177.300 -0.093 0.000 1.233 501 P CA 0.464 63.453 63.100 -0.185 0.000 0.789 501 P CB 0.686 32.264 31.700 -0.204 0.000 0.951 502 M N 0.123 119.699 119.600 -0.040 0.000 2.181 502 M HA 0.443 4.931 4.480 0.013 0.000 0.323 502 M C -0.820 175.497 176.300 0.028 0.000 1.004 502 M CA -0.716 54.467 55.300 -0.195 0.000 0.941 502 M CB 1.139 33.611 32.600 -0.213 0.000 1.579 502 M HN 0.326 nan 8.290 nan 0.000 0.427 503 Y N -0.315 120.151 120.300 0.277 0.000 4.490 503 Y HA -0.208 4.350 4.550 0.013 0.000 0.233 503 Y C 0.504 176.583 175.900 0.300 0.000 1.101 503 Y CA 0.415 58.691 58.100 0.293 0.000 2.010 503 Y CB -2.240 36.377 38.460 0.262 0.000 1.622 503 Y HN 0.970 nan 8.280 nan 0.000 0.675 504 A N 1.107 124.148 122.820 0.369 0.000 2.425 504 A HA 0.608 4.935 4.320 0.013 0.000 0.249 504 A C 0.700 178.512 177.584 0.380 0.000 1.084 504 A CA -0.448 51.812 52.037 0.372 0.000 0.781 504 A CB 0.424 19.689 19.000 0.441 0.000 1.019 504 A HN 0.413 nan 8.150 nan 0.000 0.490 505 R N 1.375 122.024 120.500 0.248 0.000 2.543 505 R HA 0.345 4.693 4.340 0.013 0.000 0.268 505 R C 1.019 177.282 176.300 -0.062 0.000 1.067 505 R CA -0.762 55.404 56.100 0.110 0.000 1.142 505 R CB 0.711 31.045 30.300 0.058 0.000 1.110 505 R HN 0.476 nan 8.270 nan 0.000 0.549 506 V N 0.739 120.437 119.914 -0.361 0.000 2.295 506 V HA -0.224 3.904 4.120 0.013 0.000 0.246 506 V C 0.925 176.898 176.094 -0.201 0.000 1.049 506 V CA 1.921 63.986 62.300 -0.392 0.000 1.024 506 V CB -0.276 31.189 31.823 -0.597 0.000 0.648 506 V HN 0.774 nan 8.190 nan 0.000 0.447 507 D N -1.739 118.577 120.400 -0.140 0.000 2.489 507 D HA 0.108 4.755 4.640 0.013 0.000 0.231 507 D C 0.846 177.129 176.300 -0.029 0.000 1.114 507 D CA 0.005 53.959 54.000 -0.077 0.000 0.842 507 D CB 0.824 41.582 40.800 -0.071 0.000 1.133 507 D HN 0.461 nan 8.370 nan 0.000 0.506 508 E N 2.039 122.225 120.200 -0.023 0.000 2.167 508 E HA 0.107 4.464 4.350 0.013 0.000 0.284 508 E C -0.839 175.763 176.600 0.003 0.000 1.016 508 E CA -0.551 55.845 56.400 -0.007 0.000 0.817 508 E CB 0.948 30.642 29.700 -0.009 0.000 1.080 508 E HN -0.152 nan 8.360 nan 0.000 0.397 509 D N 3.587 123.992 120.400 0.009 0.000 2.339 509 D HA 0.124 4.772 4.640 0.013 0.000 0.245 509 D C -0.532 175.671 176.300 -0.162 0.000 1.115 509 D CA 0.233 54.237 54.000 0.006 0.000 0.917 509 D CB 1.098 41.981 40.800 0.139 0.000 1.192 509 D HN 0.410 nan 8.370 nan 0.000 0.428 510 Q N 1.408 120.985 119.800 -0.373 0.000 2.891 510 Q HA 0.236 4.584 4.340 0.013 0.000 0.242 510 Q C -2.268 173.085 176.000 -1.079 0.000 0.959 510 Q CA -1.490 53.895 55.803 -0.696 0.000 0.707 510 Q CB 2.503 30.817 28.738 -0.706 0.000 1.283 510 Q HN 0.176 nan 8.270 nan 0.000 0.480 511 P HA -0.011 nan 4.420 nan 0.000 0.228 511 P C -0.544 176.424 177.300 -0.552 0.000 1.748 511 P CA -0.064 62.598 63.100 -0.730 0.000 0.909 511 P CB -0.565 30.927 31.700 -0.346 0.000 1.882 512 F N 1.523 121.304 119.950 -0.282 0.000 2.626 512 F HA 0.066 4.600 4.527 0.012 0.000 0.354 512 F C -1.226 174.464 175.800 -0.183 0.000 1.168 512 F CA -1.870 56.018 58.000 -0.187 0.000 1.368 512 F CB -0.702 38.199 39.000 -0.165 0.000 1.092 512 F HN 0.055 nan 8.300 nan 0.000 0.612 513 P HA 0.224 nan 4.420 nan 0.000 0.275 513 P C 0.101 177.420 177.300 0.031 0.000 1.227 513 P CA 0.858 63.978 63.100 0.034 0.000 0.781 513 P CB 1.427 33.145 31.700 0.030 0.000 0.906 514 A N 2.602 125.431 122.820 0.015 0.000 2.617 514 A HA -0.237 4.090 4.320 0.013 0.000 0.236 514 A C 0.713 178.306 177.584 0.016 0.000 0.551 514 A CA 2.072 54.121 52.037 0.021 0.000 1.144 514 A CB -2.705 16.306 19.000 0.018 0.000 1.384 514 A HN 0.705 nan 8.150 nan 0.000 0.694 515 V N -3.183 116.737 119.914 0.010 0.000 2.502 515 V HA 0.558 4.685 4.120 0.013 0.000 0.261 515 V C -2.400 173.694 176.094 -0.000 0.000 0.996 515 V CA -1.217 61.089 62.300 0.009 0.000 1.095 515 V CB 0.712 32.543 31.823 0.013 0.000 1.325 515 V HN 0.508 nan 8.190 nan 0.000 0.574 516 P HA 0.249 nan 4.420 nan 0.000 0.269 516 P C -0.628 176.242 177.300 -0.718 0.000 1.215 516 P CA 0.122 62.854 63.100 -0.612 0.000 0.780 516 P CB 1.062 31.921 31.700 -1.403 0.000 0.898 517 K N 2.282 122.319 120.400 -0.605 0.000 2.419 517 K HA 0.198 4.526 4.320 0.013 0.000 0.244 517 K C -0.381 175.934 176.600 -0.475 0.000 1.045 517 K CA -0.289 55.826 56.287 -0.287 0.000 1.004 517 K CB 0.364 32.962 32.500 0.163 0.000 1.376 517 K HN 0.469 nan 8.250 nan 0.000 0.460 518 W N 1.312 122.301 121.300 -0.518 0.000 2.126 518 W HA 0.043 4.711 4.660 0.014 0.000 0.346 518 W C 1.347 177.884 176.519 0.031 0.000 1.279 518 W CA -0.478 56.665 57.345 -0.337 0.000 1.259 518 W CB 0.340 29.448 29.460 -0.587 0.000 1.133 518 W HN 0.364 nan 8.180 nan 0.000 0.592 519 S N 2.837 118.704 115.700 0.278 0.000 2.558 519 S HA -0.074 4.403 4.470 0.013 0.000 0.291 519 S C 1.186 175.945 174.600 0.266 0.000 1.306 519 S CA -0.141 58.164 58.200 0.176 0.000 1.056 519 S CB 0.173 63.425 63.200 0.086 0.000 0.836 519 S HN 0.514 nan 8.310 nan 0.000 0.504 520 I N 2.123 122.810 120.570 0.195 0.000 2.286 520 I HA -0.143 4.035 4.170 0.013 0.000 0.248 520 I C 2.087 178.236 176.117 0.054 0.000 1.115 520 I CA 1.268 62.682 61.300 0.190 0.000 1.392 520 I CB -0.445 37.607 38.000 0.088 0.000 1.065 520 I HN 0.605 nan 8.210 nan 0.000 0.418 521 K N 1.499 121.821 120.400 -0.131 0.000 2.097 521 K HA -0.162 4.165 4.320 0.013 0.000 0.205 521 K C 2.308 178.900 176.600 -0.014 0.000 1.050 521 K CA 1.617 57.736 56.287 -0.279 0.000 0.938 521 K CB -0.203 32.038 32.500 -0.432 0.000 0.718 521 K HN 0.386 nan 8.250 nan 0.000 0.442 522 K N 0.333 120.749 120.400 0.027 0.000 2.097 522 K HA -0.182 4.146 4.320 0.013 0.000 0.205 522 K C 1.910 178.539 176.600 0.048 0.000 1.050 522 K CA 0.933 57.226 56.287 0.010 0.000 0.938 522 K CB -0.098 32.374 32.500 -0.047 0.000 0.718 522 K HN 0.224 nan 8.250 nan 0.000 0.442 523 W N 2.179 123.466 121.300 -0.021 0.000 2.321 523 W HA -0.213 4.453 4.660 0.010 0.000 0.306 523 W C 1.691 178.197 176.519 -0.022 0.000 1.217 523 W CA 1.201 58.550 57.345 0.006 0.000 1.257 523 W CB -0.641 28.904 29.460 0.141 0.000 1.145 523 W HN 0.104 nan 8.180 nan 0.000 0.509 524 L N 0.747 122.136 121.223 0.278 0.000 2.079 524 L HA -0.249 4.098 4.340 0.013 0.000 0.210 524 L C 2.235 179.178 176.870 0.121 0.000 1.081 524 L CA 2.014 56.948 54.840 0.157 0.000 0.752 524 L CB -0.953 41.184 42.059 0.130 0.000 0.896 524 L HN -0.013 nan 8.230 nan 0.000 0.433 525 S N -1.388 114.367 115.700 0.091 0.000 2.572 525 S HA 0.264 4.742 4.470 0.013 0.000 0.228 525 S C 0.561 175.154 174.600 -0.012 0.000 0.963 525 S CA -0.553 57.670 58.200 0.038 0.000 0.939 525 S CB -0.433 62.787 63.200 0.034 0.000 0.804 525 S HN 0.150 nan 8.310 nan 0.000 0.480 526 L N 1.979 123.184 121.223 -0.030 0.000 2.506 526 L HA 0.210 4.557 4.340 0.013 0.000 0.281 526 L C -2.256 174.587 176.870 -0.045 0.000 1.228 526 L CA -1.636 53.140 54.840 -0.108 0.000 0.850 526 L CB -0.545 41.421 42.059 -0.155 0.000 1.110 526 L HN 0.002 nan 8.230 nan 0.000 0.496 527 P HA -0.069 nan 4.420 nan 0.000 0.257 527 P C 0.829 178.125 177.300 -0.006 0.000 1.162 527 P CA 1.262 64.342 63.100 -0.033 0.000 0.762 527 P CB 0.383 32.058 31.700 -0.042 0.000 0.753 528 G N 1.921 110.724 108.800 0.005 0.000 2.205 528 G HA2 -0.285 3.682 3.960 0.013 0.000 0.261 528 G HA3 -0.285 3.682 3.960 0.013 0.000 0.261 528 G C 0.274 175.193 174.900 0.033 0.000 0.980 528 G CA 0.156 45.267 45.100 0.018 0.000 0.632 528 G HN 0.615 nan 8.290 nan 0.000 0.533 529 E N 1.008 121.234 120.200 0.042 0.000 2.338 529 E HA 0.588 4.945 4.350 0.013 0.000 0.272 529 E C 1.369 177.998 176.600 0.050 0.000 1.029 529 E CA 0.751 57.190 56.400 0.065 0.000 0.872 529 E CB 0.762 30.530 29.700 0.114 0.000 1.015 529 E HN 0.558 nan 8.360 nan 0.000 0.417 530 T N 0.492 115.072 114.554 0.043 0.000 3.130 530 T HA 0.316 4.674 4.350 0.013 0.000 0.288 530 T C 0.594 175.306 174.700 0.021 0.000 0.936 530 T CA -0.479 61.640 62.100 0.031 0.000 0.897 530 T CB 0.064 68.949 68.868 0.027 0.000 1.178 530 T HN 0.253 nan 8.240 nan 0.000 0.543 531 R N 2.266 122.775 120.500 0.015 0.000 2.726 531 R HA 0.437 4.784 4.340 0.013 0.000 0.272 531 R C -2.473 173.811 176.300 -0.027 0.000 1.097 531 R CA -1.538 54.560 56.100 -0.004 0.000 1.198 531 R CB 0.010 30.302 30.300 -0.015 0.000 1.114 531 R HN 0.252 nan 8.270 nan 0.000 0.550 532 P HA 0.174 nan 4.420 nan 0.000 0.281 532 P C -1.169 176.064 177.300 -0.113 0.000 1.264 532 P CA -0.318 62.743 63.100 -0.064 0.000 0.824 532 P CB 0.783 32.445 31.700 -0.063 0.000 1.092 533 L N 1.849 122.985 121.223 -0.145 0.000 2.349 533 L HA 0.569 4.916 4.340 0.013 0.000 0.278 533 L C -1.065 175.666 176.870 -0.233 0.000 0.996 533 L CA -0.630 54.084 54.840 -0.210 0.000 0.825 533 L CB 0.520 42.447 42.059 -0.219 0.000 1.243 533 L HN 0.219 nan 8.230 nan 0.000 0.412 534 I N 5.781 126.220 120.570 -0.220 0.000 2.468 534 I HA 0.257 4.434 4.170 0.013 0.000 0.285 534 I C -0.741 175.283 176.117 -0.156 0.000 1.039 534 I CA -0.587 60.572 61.300 -0.236 0.000 1.074 534 I CB 1.965 39.876 38.000 -0.148 0.000 1.228 534 I HN 0.475 nan 8.210 nan 0.000 0.436 535 L N 5.672 126.773 121.223 -0.204 0.000 2.462 535 L HA 0.025 4.373 4.340 0.013 0.000 0.272 535 L C 1.493 178.425 176.870 0.103 0.000 1.166 535 L CA -0.107 54.678 54.840 -0.092 0.000 0.880 535 L CB 0.638 42.617 42.059 -0.133 0.000 1.142 535 L HN 0.861 nan 8.230 nan 0.000 0.473 536 C N 0.358 119.702 119.300 0.074 0.000 2.456 536 C HA 0.141 4.609 4.460 0.013 0.000 0.279 536 C C 0.571 175.678 174.990 0.195 0.000 1.427 536 C CA -0.222 58.881 59.018 0.142 0.000 1.778 536 C CB -1.169 26.573 27.740 0.003 0.000 1.842 536 C HN 0.821 nan 8.230 nan 0.000 0.531 537 E N -0.762 119.484 120.200 0.077 0.000 2.321 537 E HA 0.590 4.948 4.350 0.013 0.000 0.281 537 E C -1.368 175.138 176.600 -0.156 0.000 0.910 537 E CA -0.407 56.001 56.400 0.014 0.000 0.770 537 E CB 1.829 31.348 29.700 -0.301 0.000 1.225 537 E HN 0.681 nan 8.360 nan 0.000 0.417 538 Y N -1.256 118.989 120.300 -0.090 0.000 2.725 538 Y HA 0.636 5.195 4.550 0.014 0.000 0.333 538 Y C -0.642 175.426 175.900 0.281 0.000 1.242 538 Y CA -0.860 57.218 58.100 -0.038 0.000 1.059 538 Y CB 0.918 39.230 38.460 -0.246 0.000 1.306 538 Y HN 0.670 nan 8.280 nan 0.000 0.454 539 A N 1.753 124.659 122.820 0.143 0.000 2.416 539 A HA -0.268 4.059 4.320 0.013 0.000 0.293 539 A C -0.347 177.372 177.584 0.225 0.000 1.452 539 A CA 1.052 53.154 52.037 0.107 0.000 0.738 539 A CB -2.544 16.363 19.000 -0.154 0.000 1.123 539 A HN 1.077 nan 8.150 nan 0.000 0.389 540 H N 0.620 119.870 119.070 0.300 0.000 3.276 540 H HA 0.246 4.809 4.556 0.012 0.000 0.247 540 H C 1.152 176.546 175.328 0.111 0.000 0.991 540 H CA 0.845 57.072 56.048 0.298 0.000 1.431 540 H CB 0.316 30.158 29.762 0.133 0.000 1.548 540 H HN 0.788 nan 8.280 nan 0.000 0.513 541 A N 6.481 129.210 122.820 -0.152 0.000 2.543 541 A HA 0.045 4.373 4.320 0.013 0.000 0.258 541 A C 0.951 178.363 177.584 -0.287 0.000 1.391 541 A CA -0.371 51.535 52.037 -0.218 0.000 1.066 541 A CB -0.642 18.202 19.000 -0.261 0.000 0.972 541 A HN 0.797 nan 8.150 nan 0.000 0.560 542 M N 1.341 120.771 119.600 -0.284 0.000 2.156 542 M HA 0.442 4.929 4.480 0.013 0.000 0.345 542 M C 0.997 177.142 176.300 -0.260 0.000 1.398 542 M CA 1.218 56.358 55.300 -0.266 0.000 1.148 542 M CB -0.275 32.229 32.600 -0.160 0.000 1.663 542 M HN 0.794 nan 8.290 nan 0.000 0.464 543 G N 4.352 112.988 108.800 -0.273 0.000 2.550 543 G HA2 -0.346 3.622 3.960 0.013 0.000 0.277 543 G HA3 -0.346 3.622 3.960 0.013 0.000 0.277 543 G C -0.219 174.219 174.900 -0.770 0.000 1.190 543 G CA 0.120 44.926 45.100 -0.490 0.000 0.971 543 G HN 0.835 nan 8.290 nan 0.000 0.559 544 N N 1.364 119.450 118.700 -1.024 0.000 2.421 544 N HA 0.519 5.267 4.740 0.013 0.000 0.260 544 N C 0.050 175.317 175.510 -0.406 0.000 1.173 544 N CA 1.121 53.711 53.050 -0.767 0.000 0.960 544 N CB 0.549 38.610 38.487 -0.710 0.000 1.273 544 N HN 0.836 nan 8.380 nan 0.000 0.497 545 S N 2.134 117.677 115.700 -0.261 0.000 3.121 545 S HA 0.565 5.043 4.470 0.013 0.000 0.324 545 S C -0.369 174.168 174.600 -0.106 0.000 1.192 545 S CA -0.342 57.756 58.200 -0.169 0.000 0.937 545 S CB -0.070 63.045 63.200 -0.142 0.000 1.336 545 S HN 0.374 nan 8.310 nan 0.000 0.664 546 L N 0.178 121.370 121.223 -0.053 0.000 4.406 546 L HA -0.043 4.305 4.340 0.013 0.000 0.406 546 L C 0.392 177.302 176.870 0.067 0.000 1.133 546 L CA 0.944 55.777 54.840 -0.012 0.000 0.974 546 L CB -1.696 40.274 42.059 -0.147 0.000 2.152 546 L HN 0.714 nan 8.230 nan 0.000 0.736 547 G N -1.074 107.738 108.800 0.021 0.000 2.442 547 G HA2 0.505 4.473 3.960 0.013 0.000 0.249 547 G HA3 0.505 4.473 3.960 0.013 0.000 0.249 547 G C 1.197 176.151 174.900 0.091 0.000 1.263 547 G CA 0.068 45.163 45.100 -0.009 0.000 0.846 547 G HN 1.395 nan 8.290 nan 0.000 0.555 548 G N 1.058 109.906 108.800 0.080 0.000 2.176 548 G HA2 -0.318 3.649 3.960 0.013 0.000 0.253 548 G HA3 -0.318 3.649 3.960 0.013 0.000 0.253 548 G C 1.018 176.104 174.900 0.310 0.000 0.979 548 G CA 0.809 46.007 45.100 0.162 0.000 0.641 548 G HN 0.809 nan 8.290 nan 0.000 0.530 549 F N 1.881 121.957 119.950 0.208 0.000 2.126 549 F HA 0.116 4.651 4.527 0.013 0.000 0.299 549 F C 2.662 178.677 175.800 0.359 0.000 1.096 549 F CA 2.596 60.792 58.000 0.327 0.000 1.255 549 F CB -0.453 38.683 39.000 0.226 0.000 0.997 549 F HN 0.347 nan 8.300 nan 0.000 0.479 550 A N -0.320 122.661 122.820 0.268 0.000 2.070 550 A HA -0.225 4.103 4.320 0.013 0.000 0.220 550 A C 2.271 179.874 177.584 0.032 0.000 1.159 550 A CA 1.644 53.769 52.037 0.147 0.000 0.656 550 A CB -0.833 18.262 19.000 0.159 0.000 0.800 550 A HN 0.477 nan 8.150 nan 0.000 0.453 551 K N -1.590 118.815 120.400 0.010 0.000 2.147 551 K HA -0.164 4.163 4.320 0.013 0.000 0.205 551 K C 1.611 178.000 176.600 -0.353 0.000 1.049 551 K CA 1.496 57.706 56.287 -0.127 0.000 0.936 551 K CB -0.278 32.153 32.500 -0.115 0.000 0.722 551 K HN 0.590 nan 8.250 nan 0.000 0.446 552 Y N -0.911 119.127 120.300 -0.436 0.000 2.184 552 Y HA -0.201 4.356 4.550 0.012 0.000 0.290 552 Y C 1.948 176.945 175.900 -1.505 0.000 1.129 552 Y CA 1.392 58.892 58.100 -1.001 0.000 1.144 552 Y CB -0.313 37.537 38.460 -1.017 0.000 0.995 552 Y HN 0.139 nan 8.280 nan 0.000 0.513 553 W N 0.334 121.229 121.300 -0.675 0.000 2.350 553 W HA -0.223 4.446 4.660 0.014 0.000 0.289 553 W C 2.616 178.969 176.519 -0.277 0.000 1.215 553 W CA 1.606 58.678 57.345 -0.456 0.000 1.236 553 W CB -0.418 28.855 29.460 -0.312 0.000 1.130 553 W HN 0.098 nan 8.180 nan 0.000 0.541 554 Q N 0.877 120.592 119.800 -0.142 0.000 2.119 554 Q HA -0.136 4.212 4.340 0.013 0.000 0.201 554 Q C 2.135 178.081 176.000 -0.089 0.000 0.972 554 Q CA 2.051 57.813 55.803 -0.069 0.000 0.847 554 Q CB -0.670 28.041 28.738 -0.045 0.000 0.903 554 Q HN 0.252 nan 8.270 nan 0.000 0.433 555 A N 0.064 122.741 122.820 -0.239 0.000 1.898 555 A HA -0.072 4.256 4.320 0.013 0.000 0.216 555 A C 2.092 179.661 177.584 -0.025 0.000 1.181 555 A CA 0.980 52.907 52.037 -0.183 0.000 0.620 555 A CB -1.026 17.736 19.000 -0.397 0.000 0.819 555 A HN 0.467 nan 8.150 nan 0.000 0.442 556 F N -0.467 119.318 119.950 -0.274 0.000 2.161 556 F HA -0.214 4.321 4.527 0.012 0.000 0.300 556 F C 2.782 178.488 175.800 -0.156 0.000 1.089 556 F CA 1.168 58.974 58.000 -0.323 0.000 1.282 556 F CB -0.135 38.449 39.000 -0.693 0.000 1.010 556 F HN 0.159 nan 8.300 nan 0.000 0.485 557 R N -0.032 120.528 120.500 0.098 0.000 2.090 557 R HA -0.152 4.196 4.340 0.013 0.000 0.228 557 R C 2.178 178.512 176.300 0.057 0.000 1.110 557 R CA 1.109 57.247 56.100 0.064 0.000 0.973 557 R CB -0.383 29.950 30.300 0.056 0.000 0.869 557 R HN 0.342 nan 8.270 nan 0.000 0.440 558 Q N -0.312 119.548 119.800 0.100 0.000 2.123 558 Q HA -0.084 4.263 4.340 0.013 0.000 0.199 558 Q C -0.424 175.621 176.000 0.075 0.000 0.966 558 Q CA 1.066 56.927 55.803 0.096 0.000 0.845 558 Q CB 0.306 29.124 28.738 0.133 0.000 0.907 558 Q HN 0.189 nan 8.270 nan 0.000 0.439 559 Y N 0.245 120.527 120.300 -0.028 0.000 2.367 559 Y HA 0.239 4.795 4.550 0.012 0.000 0.342 559 Y C -1.727 174.148 175.900 -0.041 0.000 0.979 559 Y CA -2.832 55.251 58.100 -0.028 0.000 1.161 559 Y CB 1.337 39.785 38.460 -0.019 0.000 1.155 559 Y HN 0.142 nan 8.280 nan 0.000 0.503 560 P HA -0.156 nan 4.420 nan 0.000 0.215 560 P C 1.047 178.346 177.300 -0.001 0.000 1.157 560 P CA 1.835 64.933 63.100 -0.004 0.000 0.868 560 P CB 0.310 31.993 31.700 -0.028 0.000 0.788 561 R N -1.099 119.420 120.500 0.031 0.000 2.316 561 R HA 0.077 4.425 4.340 0.013 0.000 0.202 561 R C 0.527 176.813 176.300 -0.023 0.000 1.029 561 R CA 0.190 56.293 56.100 0.005 0.000 1.018 561 R CB -0.551 29.760 30.300 0.019 0.000 0.888 561 R HN 0.244 nan 8.270 nan 0.000 0.471 562 L N 2.048 123.278 121.223 0.011 0.000 2.334 562 L HA 0.119 4.467 4.340 0.013 0.000 0.286 562 L C 0.495 177.226 176.870 -0.233 0.000 1.108 562 L CA 0.159 54.961 54.840 -0.064 0.000 0.875 562 L CB 1.017 43.116 42.059 0.067 0.000 1.246 562 L HN 0.096 nan 8.230 nan 0.000 0.439 563 Q N 2.817 122.402 119.800 -0.357 0.000 2.211 563 Q HA 0.336 4.683 4.340 0.013 0.000 0.231 563 Q C 0.744 176.302 176.000 -0.735 0.000 0.865 563 Q CA -0.005 55.540 55.803 -0.430 0.000 0.997 563 Q CB 1.034 29.615 28.738 -0.261 0.000 1.101 563 Q HN 0.924 nan 8.270 nan 0.000 0.468 564 G N -0.566 107.390 108.800 -1.407 0.000 2.396 564 G HA2 0.172 4.140 3.960 0.013 0.000 0.254 564 G HA3 0.172 4.140 3.960 0.013 0.000 0.254 564 G C -0.436 173.630 174.900 -1.390 0.000 1.248 564 G CA -0.743 43.231 45.100 -1.876 0.000 1.033 564 G HN 0.530 nan 8.290 nan 0.000 0.502 565 G N -2.219 106.050 108.800 -0.884 0.000 2.349 565 G HA2 0.650 4.617 3.960 0.013 0.000 0.294 565 G HA3 0.650 4.617 3.960 0.013 0.000 0.294 565 G C -1.880 172.985 174.900 -0.059 0.000 1.380 565 G CA -0.375 44.434 45.100 -0.484 0.000 0.811 565 G HN 1.142 nan 8.290 nan 0.000 0.519 566 F N 0.673 120.874 119.950 0.418 0.000 2.460 566 F HA 0.506 5.040 4.527 0.012 0.000 0.341 566 F C 0.755 176.851 175.800 0.494 0.000 1.130 566 F CA -0.768 57.506 58.000 0.455 0.000 0.962 566 F CB 2.148 41.299 39.000 0.252 0.000 1.171 566 F HN 0.261 nan 8.300 nan 0.000 0.436 567 V N 3.348 123.557 119.914 0.491 0.000 2.872 567 V HA -0.160 3.968 4.120 0.013 0.000 0.307 567 V C -0.207 176.018 176.094 0.218 0.000 1.072 567 V CA -0.198 62.159 62.300 0.095 0.000 1.148 567 V CB 0.679 32.567 31.823 0.107 0.000 0.954 567 V HN 0.762 nan 8.190 nan 0.000 0.490 568 W N 6.629 127.986 121.300 0.095 0.000 2.278 568 W HA 0.459 5.126 4.660 0.012 0.000 0.317 568 W C -0.823 175.693 176.519 -0.005 0.000 1.030 568 W CA -0.612 56.828 57.345 0.158 0.000 1.334 568 W CB 1.218 30.942 29.460 0.439 0.000 1.215 568 W HN 0.919 nan 8.180 nan 0.000 0.405 569 D N 2.905 122.985 120.400 -0.535 0.000 2.825 569 D HA 0.064 4.711 4.640 0.013 0.000 0.327 569 D C 0.561 176.626 176.300 -0.392 0.000 1.277 569 D CA -0.561 53.014 54.000 -0.709 0.000 0.950 569 D CB 0.208 40.044 40.800 -1.607 0.000 1.438 569 D HN 0.418 nan 8.370 nan 0.000 0.526 570 W N 0.572 121.556 121.300 -0.526 0.000 2.380 570 W HA 0.116 4.784 4.660 0.013 0.000 0.317 570 W C -0.050 176.252 176.519 -0.362 0.000 1.196 570 W CA 1.197 58.292 57.345 -0.417 0.000 1.307 570 W CB 0.318 29.563 29.460 -0.359 0.000 1.157 570 W HN 0.160 nan 8.180 nan 0.000 0.483 571 V N 2.629 122.323 119.914 -0.367 0.000 2.680 571 V HA 0.250 4.378 4.120 0.013 0.000 0.309 571 V C -0.811 175.096 176.094 -0.311 0.000 1.052 571 V CA -0.781 61.265 62.300 -0.424 0.000 0.908 571 V CB 1.512 33.207 31.823 -0.214 0.000 1.001 571 V HN -0.104 nan 8.190 nan 0.000 0.431 572 D N 3.869 124.086 120.400 -0.304 0.000 2.455 572 D HA 0.125 4.772 4.640 0.013 0.000 0.241 572 D C 0.291 176.458 176.300 -0.222 0.000 1.138 572 D CA 0.606 54.477 54.000 -0.216 0.000 0.877 572 D CB 0.938 41.696 40.800 -0.070 0.000 1.187 572 D HN 0.618 nan 8.370 nan 0.000 0.451 573 Q N 1.022 120.625 119.800 -0.327 0.000 2.894 573 Q HA 0.123 4.471 4.340 0.013 0.000 0.358 573 Q C -0.107 175.877 176.000 -0.027 0.000 1.155 573 Q CA -0.338 55.081 55.803 -0.640 0.000 0.960 573 Q CB 0.074 28.512 28.738 -0.500 0.000 1.428 573 Q HN 0.359 nan 8.270 nan 0.000 0.437 574 S N -0.299 115.483 115.700 0.137 0.000 2.610 574 S HA 0.571 5.048 4.470 0.013 0.000 0.273 574 S C -0.090 174.661 174.600 0.252 0.000 1.274 574 S CA -0.742 57.633 58.200 0.292 0.000 1.023 574 S CB 1.346 64.701 63.200 0.257 0.000 0.962 574 S HN 0.330 nan 8.310 nan 0.000 0.523 575 L N 2.087 123.387 121.223 0.129 0.000 2.346 575 L HA 0.494 4.842 4.340 0.013 0.000 0.274 575 L C -0.380 176.387 176.870 -0.171 0.000 1.007 575 L CA -1.204 53.588 54.840 -0.079 0.000 0.818 575 L CB 1.436 43.340 42.059 -0.258 0.000 1.284 575 L HN 0.563 nan 8.230 nan 0.000 0.424 576 I N 2.786 123.196 120.570 -0.267 0.000 2.496 576 I HA 0.185 4.363 4.170 0.013 0.000 0.285 576 I C 0.264 175.979 176.117 -0.669 0.000 1.080 576 I CA 0.079 61.093 61.300 -0.477 0.000 1.404 576 I CB 0.816 38.528 38.000 -0.480 0.000 1.403 576 I HN 0.564 nan 8.210 nan 0.000 0.539 577 K N 5.771 125.492 120.400 -1.131 0.000 2.281 577 K HA 0.554 4.881 4.320 0.013 0.000 0.242 577 K C -1.429 174.336 176.600 -1.391 0.000 0.971 577 K CA -0.667 54.809 56.287 -1.352 0.000 0.834 577 K CB 2.080 33.494 32.500 -1.810 0.000 1.181 577 K HN 0.287 nan 8.250 nan 0.000 0.435 578 Y N 0.951 120.980 120.300 -0.452 0.000 2.376 578 Y HA 0.110 4.668 4.550 0.013 0.000 0.340 578 Y C 0.065 176.037 175.900 0.120 0.000 0.965 578 Y CA -0.967 57.060 58.100 -0.121 0.000 1.078 578 Y CB 1.551 39.960 38.460 -0.085 0.000 1.193 578 Y HN 0.719 nan 8.280 nan 0.000 0.452 579 D N 0.265 120.909 120.400 0.408 0.000 2.447 579 D HA 0.043 4.691 4.640 0.013 0.000 0.265 579 D C 0.838 177.251 176.300 0.189 0.000 1.250 579 D CA -0.286 53.909 54.000 0.325 0.000 1.046 579 D CB 0.656 41.598 40.800 0.236 0.000 1.095 579 D HN 0.366 nan 8.370 nan 0.000 0.555 580 E N -0.781 119.492 120.200 0.121 0.000 2.273 580 E HA -0.134 4.224 4.350 0.013 0.000 0.198 580 E C 0.488 177.126 176.600 0.062 0.000 1.002 580 E CA 0.833 57.277 56.400 0.072 0.000 0.828 580 E CB -0.249 29.475 29.700 0.041 0.000 0.747 580 E HN 0.441 nan 8.360 nan 0.000 0.491 581 N N -0.579 118.169 118.700 0.080 0.000 2.214 581 N HA 0.097 4.845 4.740 0.013 0.000 0.214 581 N C 0.647 176.205 175.510 0.080 0.000 1.132 581 N CA 0.642 53.731 53.050 0.065 0.000 0.856 581 N CB 1.062 39.582 38.487 0.054 0.000 1.020 581 N HN 0.092 nan 8.380 nan 0.000 0.509 582 G N 1.478 110.347 108.800 0.114 0.000 2.295 582 G HA2 -0.260 3.707 3.960 0.013 0.000 0.287 582 G HA3 -0.260 3.707 3.960 0.013 0.000 0.287 582 G C -0.482 174.570 174.900 0.254 0.000 1.055 582 G CA -0.208 44.970 45.100 0.129 0.000 0.922 582 G HN 0.286 nan 8.290 nan 0.000 0.503 583 N N 1.051 119.927 118.700 0.294 0.000 2.408 583 N HA 0.458 5.205 4.740 0.013 0.000 0.280 583 N C -2.314 173.366 175.510 0.283 0.000 1.002 583 N CA -1.390 51.826 53.050 0.276 0.000 0.907 583 N CB 2.262 40.858 38.487 0.181 0.000 1.161 583 N HN 0.118 nan 8.380 nan 0.000 0.488 584 P HA 0.123 nan 4.420 nan 0.000 0.269 584 P C -0.496 176.717 177.300 -0.146 0.000 1.215 584 P CA 0.006 62.862 63.100 -0.407 0.000 0.780 584 P CB 0.551 32.084 31.700 -0.278 0.000 0.898 585 W N -1.135 119.907 121.300 -0.430 0.000 3.479 585 W HA 0.333 5.001 4.660 0.012 0.000 0.304 585 W C -1.637 174.677 176.519 -0.342 0.000 1.243 585 W CA -0.903 56.197 57.345 -0.408 0.000 1.202 585 W CB 0.179 29.182 29.460 -0.761 0.000 1.346 585 W HN 0.110 nan 8.180 nan 0.000 0.539 586 S N 2.051 117.800 115.700 0.081 0.000 2.455 586 S HA 0.529 5.006 4.470 0.013 0.000 0.278 586 S C 0.336 175.070 174.600 0.224 0.000 1.216 586 S CA -0.112 58.138 58.200 0.082 0.000 1.055 586 S CB 0.700 64.012 63.200 0.185 0.000 0.939 586 S HN 0.599 nan 8.310 nan 0.000 0.494 587 A N 3.185 125.982 122.820 -0.038 0.000 2.294 587 A HA 0.861 5.189 4.320 0.013 0.000 0.330 587 A C -0.528 177.283 177.584 0.379 0.000 1.133 587 A CA -0.679 51.381 52.037 0.038 0.000 0.836 587 A CB 0.553 19.272 19.000 -0.468 0.000 1.190 587 A HN 0.833 nan 8.150 nan 0.000 0.492 588 Y N -0.851 119.760 120.300 0.518 0.000 3.048 588 Y HA 0.756 5.314 4.550 0.013 0.000 0.305 588 Y C 0.629 176.898 175.900 0.615 0.000 1.538 588 Y CA -1.494 56.925 58.100 0.531 0.000 1.082 588 Y CB -0.107 38.494 38.460 0.236 0.000 1.388 588 Y HN 0.909 nan 8.280 nan 0.000 0.557 589 G N -0.062 109.138 108.800 0.668 0.000 2.265 589 G HA2 0.374 4.341 3.960 0.013 0.000 0.240 589 G HA3 0.374 4.341 3.960 0.013 0.000 0.240 589 G C 0.972 176.203 174.900 0.551 0.000 1.270 589 G CA 0.464 45.880 45.100 0.527 0.000 0.901 589 G HN 1.996 nan 8.290 nan 0.000 0.507 590 G N 2.315 111.406 108.800 0.486 0.000 2.225 590 G HA2 -0.284 3.683 3.960 0.013 0.000 0.254 590 G HA3 -0.284 3.683 3.960 0.013 0.000 0.254 590 G C 0.894 175.965 174.900 0.286 0.000 0.988 590 G CA 0.667 45.984 45.100 0.362 0.000 0.625 590 G HN 0.647 nan 8.290 nan 0.000 0.527 591 D N -0.119 120.429 120.400 0.246 0.000 2.378 591 D HA 0.083 4.731 4.640 0.013 0.000 0.222 591 D C 1.250 177.275 176.300 -0.458 0.000 0.980 591 D CA 0.611 54.537 54.000 -0.122 0.000 0.907 591 D CB -0.217 40.464 40.800 -0.198 0.000 0.899 591 D HN 0.502 nan 8.370 nan 0.000 0.527 592 F N -0.684 119.393 119.950 0.211 0.000 2.708 592 F HA 0.342 4.877 4.527 0.013 0.000 0.300 592 F C 1.745 177.630 175.800 0.143 0.000 1.118 592 F CA -0.367 57.714 58.000 0.134 0.000 1.307 592 F CB 0.534 39.600 39.000 0.109 0.000 0.986 592 F HN -0.080 nan 8.300 nan 0.000 0.522 593 G N 0.509 109.449 108.800 0.234 0.000 2.162 593 G HA2 -0.295 3.673 3.960 0.013 0.000 0.260 593 G HA3 -0.295 3.673 3.960 0.013 0.000 0.260 593 G C -0.133 174.899 174.900 0.220 0.000 0.976 593 G CA 0.233 45.448 45.100 0.191 0.000 0.655 593 G HN 0.474 nan 8.290 nan 0.000 0.533 594 D N 0.337 120.919 120.400 0.303 0.000 2.383 594 D HA 0.487 5.134 4.640 0.013 0.000 0.252 594 D C 0.070 176.497 176.300 0.212 0.000 1.166 594 D CA 0.874 55.049 54.000 0.291 0.000 0.879 594 D CB 1.585 42.628 40.800 0.405 0.000 1.164 594 D HN 0.367 nan 8.370 nan 0.000 0.462 595 T N 1.512 116.157 114.554 0.152 0.000 3.159 595 T HA 0.410 4.768 4.350 0.013 0.000 0.343 595 T C -2.769 171.971 174.700 0.068 0.000 1.364 595 T CA -1.091 61.069 62.100 0.100 0.000 1.102 595 T CB 1.212 70.138 68.868 0.096 0.000 1.263 595 T HN 0.244 nan 8.240 nan 0.000 0.477 596 P HA 0.560 nan 4.420 nan 0.000 0.274 596 P C -0.918 176.379 177.300 -0.006 0.000 1.256 596 P CA -0.384 62.721 63.100 0.009 0.000 0.795 596 P CB 0.407 32.088 31.700 -0.031 0.000 1.038 597 N N -2.057 116.634 118.700 -0.014 0.000 2.934 597 N HA 0.286 5.034 4.740 0.013 0.000 0.253 597 N C -1.239 174.227 175.510 -0.074 0.000 1.466 597 N CA -0.745 52.275 53.050 -0.050 0.000 0.858 597 N CB 0.699 39.249 38.487 0.106 0.000 1.459 597 N HN 0.077 nan 8.380 nan 0.000 0.532 598 D N -0.294 120.032 120.400 -0.123 0.000 2.670 598 D HA 0.132 4.779 4.640 0.013 0.000 0.255 598 D C 0.536 177.048 176.300 0.353 0.000 1.286 598 D CA -0.180 53.828 54.000 0.014 0.000 0.830 598 D CB 0.205 40.876 40.800 -0.215 0.000 1.065 598 D HN 0.717 nan 8.370 nan 0.000 0.486 599 R N 1.135 121.825 120.500 0.317 0.000 3.614 599 R HA -0.329 4.018 4.340 0.013 0.000 0.542 599 R C 1.087 177.459 176.300 0.119 0.000 0.241 599 R CA 1.618 57.917 56.100 0.331 0.000 1.684 599 R CB -1.579 28.846 30.300 0.209 0.000 0.889 599 R HN 0.183 nan 8.270 nan 0.000 0.611 600 Q N 1.610 121.162 119.800 -0.412 0.000 2.415 600 Q HA 0.020 4.368 4.340 0.013 0.000 0.206 600 Q C 1.499 177.220 176.000 -0.466 0.000 0.946 600 Q CA 1.001 56.340 55.803 -0.773 0.000 0.951 600 Q CB 0.036 27.996 28.738 -1.296 0.000 1.026 600 Q HN 0.611 nan 8.270 nan 0.000 0.510 601 F N 1.367 121.234 119.950 -0.139 0.000 2.494 601 F HA -0.125 4.410 4.527 0.012 0.000 0.298 601 F C 2.198 177.924 175.800 -0.124 0.000 1.106 601 F CA 1.100 59.088 58.000 -0.020 0.000 1.452 601 F CB -0.063 38.999 39.000 0.103 0.000 1.085 601 F HN 0.449 nan 8.300 nan 0.000 0.569 602 C N -1.311 117.693 119.300 -0.493 0.000 2.562 602 C HA 0.219 4.686 4.460 0.013 0.000 0.266 602 C C 1.022 175.801 174.990 -0.351 0.000 1.382 602 C CA -0.495 58.052 59.018 -0.785 0.000 1.742 602 C CB -1.672 25.058 27.740 -1.682 0.000 1.812 602 C HN 0.173 nan 8.230 nan 0.000 0.559 603 M N 2.671 122.116 119.600 -0.259 0.000 2.055 603 M HA 0.279 4.767 4.480 0.013 0.000 0.346 603 M C -0.413 175.758 176.300 -0.214 0.000 1.074 603 M CA 0.347 55.532 55.300 -0.193 0.000 1.009 603 M CB 0.098 32.627 32.600 -0.118 0.000 1.423 603 M HN 0.363 nan 8.290 nan 0.000 0.410 604 N N 1.064 119.622 118.700 -0.237 0.000 2.305 604 N HA 0.192 4.940 4.740 0.013 0.000 0.248 604 N C 0.295 175.549 175.510 -0.427 0.000 1.290 604 N CA -0.544 52.319 53.050 -0.313 0.000 0.873 604 N CB 1.215 39.597 38.487 -0.175 0.000 1.261 604 N HN 0.669 nan 8.380 nan 0.000 0.504 605 G N 0.020 108.525 108.800 -0.492 0.000 2.507 605 G HA2 0.324 4.292 3.960 0.013 0.000 0.271 605 G HA3 0.324 4.292 3.960 0.013 0.000 0.271 605 G C 0.720 175.093 174.900 -0.877 0.000 1.189 605 G CA -0.508 44.207 45.100 -0.641 0.000 0.859 605 G HN 0.125 nan 8.290 nan 0.000 0.542 606 L N 0.187 120.946 121.223 -0.774 0.000 2.313 606 L HA 0.122 4.469 4.340 0.013 0.000 0.214 606 L C 0.942 177.277 176.870 -0.893 0.000 1.119 606 L CA 0.375 54.784 54.840 -0.719 0.000 0.809 606 L CB -0.210 41.584 42.059 -0.440 0.000 0.933 606 L HN 0.417 nan 8.230 nan 0.000 0.449 607 V N -5.099 114.195 119.914 -1.033 0.000 3.001 607 V HA 0.466 4.594 4.120 0.013 0.000 0.314 607 V C -0.228 175.538 176.094 -0.546 0.000 1.099 607 V CA -1.275 60.606 62.300 -0.698 0.000 0.989 607 V CB 1.665 33.060 31.823 -0.714 0.000 1.040 607 V HN -0.143 nan 8.190 nan 0.000 0.434 608 F N 1.493 121.438 119.950 -0.009 0.000 2.480 608 F HA 0.536 5.071 4.527 0.013 0.000 0.319 608 F C 1.950 177.708 175.800 -0.070 0.000 1.230 608 F CA 0.683 58.723 58.000 0.067 0.000 1.285 608 F CB 0.902 39.918 39.000 0.028 0.000 1.208 608 F HN 0.786 nan 8.300 nan 0.000 0.579 609 A N 0.684 123.613 122.820 0.182 0.000 2.024 609 A HA -0.210 4.117 4.320 0.013 0.000 0.220 609 A C 1.567 179.146 177.584 -0.008 0.000 1.164 609 A CA 1.829 53.917 52.037 0.086 0.000 0.643 609 A CB -0.925 18.156 19.000 0.135 0.000 0.806 609 A HN 0.777 nan 8.150 nan 0.000 0.451 610 D N -2.956 117.457 120.400 0.022 0.000 2.319 610 D HA 0.159 4.806 4.640 0.013 0.000 0.230 610 D C 0.620 176.920 176.300 0.001 0.000 1.094 610 D CA -0.053 53.925 54.000 -0.038 0.000 0.856 610 D CB -0.047 40.725 40.800 -0.046 0.000 0.915 610 D HN 0.192 nan 8.370 nan 0.000 0.517 611 R N -1.934 118.574 120.500 0.013 0.000 3.728 611 R HA -0.116 4.231 4.340 0.013 0.000 0.478 611 R C -0.317 176.002 176.300 0.032 0.000 0.932 611 R CA 1.094 57.197 56.100 0.005 0.000 1.317 611 R CB -3.178 27.159 30.300 0.061 0.000 1.987 611 R HN 0.249 nan 8.270 nan 0.000 0.509 612 T N 2.631 117.244 114.554 0.099 0.000 2.851 612 T HA 0.391 4.749 4.350 0.013 0.000 0.298 612 T C -2.357 172.492 174.700 0.247 0.000 0.977 612 T CA -0.923 61.263 62.100 0.144 0.000 1.126 612 T CB 1.234 70.165 68.868 0.105 0.000 0.916 612 T HN -0.105 nan 8.240 nan 0.000 0.529 613 P HA 0.193 nan 4.420 nan 0.000 0.275 613 P C -0.111 177.291 177.300 0.170 0.000 1.228 613 P CA -0.327 62.815 63.100 0.070 0.000 0.786 613 P CB 0.489 32.212 31.700 0.038 0.000 0.927 614 H N 2.423 121.368 119.070 -0.209 0.000 2.488 614 H HA 0.138 4.702 4.556 0.013 0.000 0.347 614 H C -1.328 173.929 175.328 -0.118 0.000 1.174 614 H CA -1.993 53.912 56.048 -0.237 0.000 1.307 614 H CB 0.616 30.166 29.762 -0.353 0.000 1.517 614 H HN 0.316 nan 8.280 nan 0.000 0.554 615 P HA -0.148 nan 4.420 nan 0.000 0.219 615 P C 1.176 178.487 177.300 0.018 0.000 1.146 615 P CA 1.298 64.401 63.100 0.005 0.000 0.808 615 P CB 0.012 31.709 31.700 -0.006 0.000 0.779 616 A N -0.383 122.450 122.820 0.022 0.000 2.024 616 A HA -0.184 4.143 4.320 0.013 0.000 0.220 616 A C 2.076 179.616 177.584 -0.074 0.000 1.164 616 A CA 1.260 53.269 52.037 -0.047 0.000 0.643 616 A CB -1.613 17.328 19.000 -0.098 0.000 0.806 616 A HN 0.161 nan 8.150 nan 0.000 0.451 617 L N -0.364 120.835 121.223 -0.039 0.000 2.013 617 L HA -0.174 4.173 4.340 0.013 0.000 0.212 617 L C 2.535 179.449 176.870 0.073 0.000 1.073 617 L CA 2.876 57.725 54.840 0.014 0.000 0.753 617 L CB -1.192 40.873 42.059 0.011 0.000 0.890 617 L HN 0.391 nan 8.230 nan 0.000 0.432 618 T N -1.728 112.877 114.554 0.085 0.000 2.833 618 T HA -0.214 4.144 4.350 0.013 0.000 0.269 618 T C 1.814 176.632 174.700 0.196 0.000 1.054 618 T CA 1.499 63.703 62.100 0.173 0.000 1.135 618 T CB -0.168 68.776 68.868 0.126 0.000 0.869 618 T HN 0.509 nan 8.240 nan 0.000 0.466 619 E N 0.582 120.837 120.200 0.092 0.000 2.106 619 E HA 0.102 4.460 4.350 0.013 0.000 0.192 619 E C 2.141 178.767 176.600 0.043 0.000 0.984 619 E CA 1.253 57.712 56.400 0.098 0.000 0.806 619 E CB -0.567 29.160 29.700 0.044 0.000 0.750 619 E HN 0.535 nan 8.360 nan 0.000 0.458 620 A N 0.873 123.615 122.820 -0.130 0.000 1.898 620 A HA -0.178 4.150 4.320 0.013 0.000 0.216 620 A C 2.138 179.622 177.584 -0.168 0.000 1.181 620 A CA 1.722 53.634 52.037 -0.207 0.000 0.620 620 A CB -0.548 18.292 19.000 -0.267 0.000 0.819 620 A HN 0.245 nan 8.150 nan 0.000 0.442 621 K N -1.105 119.267 120.400 -0.047 0.000 2.032 621 K HA -0.286 4.042 4.320 0.013 0.000 0.209 621 K C 2.052 178.567 176.600 -0.141 0.000 1.048 621 K CA 2.038 58.310 56.287 -0.025 0.000 0.927 621 K CB -0.333 32.306 32.500 0.232 0.000 0.712 621 K HN 0.654 nan 8.250 nan 0.000 0.441 622 H N 0.158 119.068 119.070 -0.266 0.000 2.363 622 H HA 0.006 4.569 4.556 0.013 0.000 0.301 622 H C 1.928 176.987 175.328 -0.448 0.000 1.074 622 H CA 1.614 57.303 56.048 -0.599 0.000 1.354 622 H CB 0.132 29.524 29.762 -0.616 0.000 1.397 622 H HN 0.220 nan 8.280 nan 0.000 0.516 623 Q N 0.298 119.852 119.800 -0.409 0.000 2.224 623 Q HA -0.095 4.253 4.340 0.013 0.000 0.203 623 Q C 1.420 176.895 176.000 -0.875 0.000 0.970 623 Q CA 1.177 56.667 55.803 -0.523 0.000 0.865 623 Q CB 0.034 28.622 28.738 -0.251 0.000 0.922 623 Q HN 0.718 nan 8.270 nan 0.000 0.445 624 Q N 0.177 119.414 119.800 -0.938 0.000 2.247 624 Q HA 0.083 4.430 4.340 0.013 0.000 0.205 624 Q C -0.067 175.403 176.000 -0.883 0.000 0.896 624 Q CA -0.215 54.888 55.803 -1.167 0.000 0.950 624 Q CB 0.297 28.376 28.738 -1.099 0.000 1.054 624 Q HN 0.365 nan 8.270 nan 0.000 0.482 625 Q N -0.525 118.889 119.800 -0.643 0.000 2.479 625 Q HA -0.024 4.324 4.340 0.013 0.000 0.267 625 Q C -0.108 175.543 176.000 -0.582 0.000 1.071 625 Q CA 0.402 55.965 55.803 -0.401 0.000 0.935 625 Q CB 0.470 29.041 28.738 -0.278 0.000 1.295 625 Q HN 0.301 nan 8.270 nan 0.000 0.476 626 F N 0.058 119.792 119.950 -0.360 0.000 2.727 626 F HA 0.227 4.761 4.527 0.012 0.000 0.302 626 F C -0.242 174.980 175.800 -0.963 0.000 1.097 626 F CA -0.010 57.535 58.000 -0.757 0.000 1.330 626 F CB 0.569 38.838 39.000 -1.218 0.000 1.084 626 F HN 0.285 nan 8.300 nan 0.000 0.578 627 F N 0.424 120.301 119.950 -0.120 0.000 2.529 627 F HA 0.480 5.015 4.527 0.013 0.000 0.320 627 F C -0.176 175.263 175.800 -0.601 0.000 1.118 627 F CA -1.114 56.700 58.000 -0.311 0.000 0.915 627 F CB 1.316 40.151 39.000 -0.275 0.000 1.161 627 F HN -0.316 nan 8.300 nan 0.000 0.445 628 Q N 3.060 122.581 119.800 -0.464 0.000 2.301 628 Q HA 0.604 4.951 4.340 0.013 0.000 0.267 628 Q C -1.371 174.286 176.000 -0.571 0.000 1.035 628 Q CA -0.691 54.866 55.803 -0.411 0.000 0.856 628 Q CB 2.916 31.558 28.738 -0.160 0.000 1.337 628 Q HN 0.557 nan 8.270 nan 0.000 0.450 629 F N -0.041 120.033 119.950 0.206 0.000 2.576 629 F HA 0.584 5.119 4.527 0.013 0.000 0.313 629 F C 0.319 176.356 175.800 0.395 0.000 1.078 629 F CA -0.834 57.364 58.000 0.329 0.000 0.921 629 F CB 2.159 41.489 39.000 0.549 0.000 1.232 629 F HN 0.137 nan 8.300 nan 0.000 0.459 630 R N 1.493 122.300 120.500 0.512 0.000 2.750 630 R HA 0.716 5.063 4.340 0.013 0.000 0.281 630 R C -1.956 174.440 176.300 0.160 0.000 0.972 630 R CA -1.253 55.077 56.100 0.383 0.000 0.912 630 R CB 2.738 33.163 30.300 0.209 0.000 1.187 630 R HN 0.571 nan 8.270 nan 0.000 0.464 631 L N 0.925 122.126 121.223 -0.036 0.000 2.325 631 L HA 0.459 4.807 4.340 0.013 0.000 0.281 631 L C -1.005 175.726 176.870 -0.231 0.000 1.004 631 L CA 0.169 54.745 54.840 -0.440 0.000 0.823 631 L CB 2.017 43.375 42.059 -1.168 0.000 1.236 631 L HN 0.453 nan 8.230 nan 0.000 0.415 632 S N 3.787 119.371 115.700 -0.193 0.000 2.664 632 S HA 0.681 5.158 4.470 0.013 0.000 0.262 632 S C 0.424 174.943 174.600 -0.135 0.000 1.229 632 S CA 0.217 58.344 58.200 -0.122 0.000 1.151 632 S CB 0.195 63.357 63.200 -0.063 0.000 1.054 632 S HN 1.382 nan 8.310 nan 0.000 0.483 633 G N 3.822 112.539 108.800 -0.138 0.000 2.595 633 G HA2 -0.303 3.665 3.960 0.013 0.000 0.297 633 G HA3 -0.303 3.665 3.960 0.013 0.000 0.297 633 G C 0.426 175.220 174.900 -0.176 0.000 1.181 633 G CA 0.608 45.630 45.100 -0.130 0.000 0.963 633 G HN 0.606 nan 8.290 nan 0.000 0.541 634 Q N 0.990 120.691 119.800 -0.166 0.000 2.198 634 Q HA 0.321 4.669 4.340 0.013 0.000 0.209 634 Q C -0.137 175.732 176.000 -0.217 0.000 0.848 634 Q CA 0.398 56.079 55.803 -0.203 0.000 0.974 634 Q CB 0.566 29.198 28.738 -0.176 0.000 1.115 634 Q HN 0.473 nan 8.270 nan 0.000 0.494 635 T N 0.555 114.995 114.554 -0.191 0.000 2.797 635 T HA 0.496 4.853 4.350 0.013 0.000 0.279 635 T C -0.273 174.317 174.700 -0.184 0.000 0.991 635 T CA -0.373 61.628 62.100 -0.165 0.000 0.979 635 T CB 1.234 70.040 68.868 -0.104 0.000 0.943 635 T HN 0.060 nan 8.240 nan 0.000 0.444 636 I N 2.637 123.113 120.570 -0.157 0.000 2.336 636 I HA 0.333 4.510 4.170 0.013 0.000 0.292 636 I C 0.471 176.603 176.117 0.024 0.000 0.991 636 I CA -0.551 60.689 61.300 -0.101 0.000 1.227 636 I CB 1.295 39.243 38.000 -0.086 0.000 1.366 636 I HN 0.548 nan 8.210 nan 0.000 0.466 637 E N 6.613 126.864 120.200 0.084 0.000 2.113 637 E HA 0.432 4.789 4.350 0.013 0.000 0.273 637 E C -1.497 175.212 176.600 0.183 0.000 0.924 637 E CA -0.621 55.843 56.400 0.105 0.000 0.764 637 E CB 1.594 31.340 29.700 0.077 0.000 1.104 637 E HN 0.356 nan 8.360 nan 0.000 0.406 638 V N 4.066 124.072 119.914 0.153 0.000 2.394 638 V HA 0.332 4.459 4.120 0.013 0.000 0.282 638 V C -0.004 176.116 176.094 0.044 0.000 1.031 638 V CA -0.493 61.872 62.300 0.107 0.000 0.881 638 V CB 1.642 33.555 31.823 0.151 0.000 0.982 638 V HN 0.700 nan 8.190 nan 0.000 0.451 639 T N 3.232 117.764 114.554 -0.038 0.000 2.812 639 T HA 0.331 4.688 4.350 0.013 0.000 0.282 639 T C -0.070 174.629 174.700 -0.001 0.000 0.990 639 T CA -0.292 61.805 62.100 -0.006 0.000 0.960 639 T CB 1.552 70.402 68.868 -0.030 0.000 0.948 639 T HN 0.696 nan 8.240 nan 0.000 0.438 640 S N 1.859 117.581 115.700 0.035 0.000 2.537 640 S HA 0.212 4.689 4.470 0.013 0.000 0.275 640 S C 0.708 175.194 174.600 -0.190 0.000 1.272 640 S CA -0.487 57.669 58.200 -0.074 0.000 1.050 640 S CB 0.545 63.776 63.200 0.053 0.000 0.961 640 S HN 0.722 nan 8.310 nan 0.000 0.496 641 E N 2.919 122.897 120.200 -0.370 0.000 2.501 641 E HA 0.108 4.466 4.350 0.013 0.000 0.200 641 E C -0.864 175.550 176.600 -0.309 0.000 1.016 641 E CA -0.134 56.082 56.400 -0.308 0.000 0.921 641 E CB 0.341 29.834 29.700 -0.346 0.000 1.034 641 E HN 0.690 nan 8.360 nan 0.000 0.468 642 Y N 0.370 120.555 120.300 -0.193 0.000 2.411 642 Y HA 0.017 4.575 4.550 0.012 0.000 0.333 642 Y C 1.395 177.150 175.900 -0.241 0.000 1.186 642 Y CA 0.122 58.121 58.100 -0.168 0.000 1.381 642 Y CB 0.792 39.139 38.460 -0.188 0.000 1.273 642 Y HN -0.009 nan 8.280 nan 0.000 0.546 643 L N 1.620 122.698 121.223 -0.243 0.000 2.408 643 L HA 0.060 4.408 4.340 0.013 0.000 0.215 643 L C 0.571 177.053 176.870 -0.646 0.000 1.081 643 L CA 0.644 55.100 54.840 -0.640 0.000 0.840 643 L CB 0.054 41.294 42.059 -1.365 0.000 1.002 643 L HN 0.640 nan 8.230 nan 0.000 0.468 644 F N -0.705 119.283 119.950 0.064 0.000 2.834 644 F HA 0.231 4.765 4.527 0.011 0.000 0.332 644 F C 1.160 176.962 175.800 0.003 0.000 1.056 644 F CA -0.782 57.225 58.000 0.010 0.000 1.178 644 F CB 0.358 39.340 39.000 -0.030 0.000 1.037 644 F HN -0.131 nan 8.300 nan 0.000 0.580 645 R N -0.292 120.272 120.500 0.106 0.000 2.758 645 R HA 0.528 4.876 4.340 0.013 0.000 0.265 645 R C -1.170 175.143 176.300 0.021 0.000 1.016 645 R CA -0.753 55.354 56.100 0.010 0.000 1.040 645 R CB 0.983 31.183 30.300 -0.166 0.000 1.152 645 R HN 0.027 nan 8.270 nan 0.000 0.503 646 H N 0.017 119.070 119.070 -0.028 0.000 2.488 646 H HA 0.140 4.703 4.556 0.012 0.000 0.347 646 H C -0.010 175.323 175.328 0.009 0.000 1.174 646 H CA 0.023 56.083 56.048 0.020 0.000 1.307 646 H CB 1.375 31.153 29.762 0.027 0.000 1.517 646 H HN 0.735 nan 8.280 nan 0.000 0.554 647 S N 1.611 117.190 115.700 -0.202 0.000 3.811 647 S HA -0.031 4.447 4.470 0.013 0.000 0.205 647 S C 0.195 174.865 174.600 0.116 0.000 1.445 647 S CA -0.171 58.054 58.200 0.042 0.000 1.097 647 S CB -0.870 62.392 63.200 0.103 0.000 1.350 647 S HN 0.717 nan 8.310 nan 0.000 0.471 648 D N 0.584 121.073 120.400 0.147 0.000 2.371 648 D HA -0.042 4.605 4.640 0.013 0.000 0.234 648 D C 0.462 176.809 176.300 0.079 0.000 1.049 648 D CA 0.158 54.243 54.000 0.142 0.000 0.907 648 D CB -0.331 40.538 40.800 0.115 0.000 0.891 648 D HN 0.508 nan 8.370 nan 0.000 0.531 649 N N -0.161 118.582 118.700 0.072 0.000 2.636 649 N HA 0.168 4.915 4.740 0.013 0.000 0.287 649 N C -1.623 173.935 175.510 0.080 0.000 1.817 649 N CA -0.293 52.792 53.050 0.059 0.000 0.842 649 N CB 0.295 38.804 38.487 0.036 0.000 1.353 649 N HN -0.039 nan 8.380 nan 0.000 0.500 650 E N -0.131 120.111 120.200 0.070 0.000 2.335 650 E HA 0.523 4.881 4.350 0.013 0.000 0.280 650 E C -1.454 175.165 176.600 0.032 0.000 0.918 650 E CA -0.719 55.713 56.400 0.052 0.000 0.765 650 E CB 2.031 31.733 29.700 0.004 0.000 1.218 650 E HN 0.308 nan 8.360 nan 0.000 0.425 651 L N -0.042 121.208 121.223 0.044 0.000 2.350 651 L HA 0.772 5.119 4.340 0.013 0.000 0.260 651 L C -1.583 175.331 176.870 0.074 0.000 1.015 651 L CA -1.143 53.727 54.840 0.050 0.000 0.821 651 L CB 1.186 43.277 42.059 0.054 0.000 1.370 651 L HN 0.479 nan 8.230 nan 0.000 0.416 652 L N 1.867 123.145 121.223 0.092 0.000 2.287 652 L HA 0.532 4.879 4.340 0.013 0.000 0.287 652 L C -0.830 176.150 176.870 0.183 0.000 1.022 652 L CA 0.010 54.941 54.840 0.152 0.000 0.814 652 L CB 0.660 42.820 42.059 0.168 0.000 1.217 652 L HN 0.700 nan 8.230 nan 0.000 0.420 653 H N 5.881 125.031 119.070 0.132 0.000 2.467 653 H HA 0.401 4.965 4.556 0.012 0.000 0.326 653 H C -1.472 173.957 175.328 0.168 0.000 1.094 653 H CA -0.379 55.715 56.048 0.077 0.000 1.253 653 H CB 0.912 30.678 29.762 0.008 0.000 1.439 653 H HN 0.723 nan 8.280 nan 0.000 0.479 654 W N 5.282 126.732 121.300 0.249 0.000 2.950 654 W HA 0.558 5.226 4.660 0.012 0.000 0.340 654 W C -1.709 174.959 176.519 0.249 0.000 1.139 654 W CA -1.470 56.002 57.345 0.212 0.000 1.188 654 W CB 1.007 30.524 29.460 0.095 0.000 1.426 654 W HN 0.565 nan 8.180 nan 0.000 0.531 655 M N 1.812 121.675 119.600 0.438 0.000 2.365 655 M HA 0.617 5.104 4.480 0.013 0.000 0.288 655 M C -2.439 174.081 176.300 0.366 0.000 1.152 655 M CA -0.743 54.680 55.300 0.206 0.000 0.948 655 M CB 1.933 34.541 32.600 0.012 0.000 1.729 655 M HN 0.059 nan 8.290 nan 0.000 0.487 656 V N 2.287 122.411 119.914 0.350 0.000 2.459 656 V HA 1.016 5.144 4.120 0.013 0.000 0.295 656 V C -0.230 175.982 176.094 0.197 0.000 1.029 656 V CA -0.240 62.245 62.300 0.308 0.000 0.874 656 V CB 1.461 33.485 31.823 0.335 0.000 0.985 656 V HN 1.091 nan 8.190 nan 0.000 0.438 657 A N 4.326 127.267 122.820 0.202 0.000 2.498 657 A HA 0.903 5.230 4.320 0.013 0.000 0.298 657 A C -1.369 176.325 177.584 0.184 0.000 1.075 657 A CA -0.635 51.485 52.037 0.138 0.000 0.714 657 A CB 1.751 20.791 19.000 0.067 0.000 1.299 657 A HN 0.953 nan 8.150 nan 0.000 0.407 658 L N 1.027 122.330 121.223 0.132 0.000 2.276 658 L HA 0.582 4.929 4.340 0.013 0.000 0.286 658 L C -0.660 176.305 176.870 0.158 0.000 1.024 658 L CA 0.185 55.118 54.840 0.155 0.000 0.826 658 L CB 0.450 42.570 42.059 0.101 0.000 1.211 658 L HN 0.725 nan 8.230 nan 0.000 0.422 659 D N 4.877 125.434 120.400 0.261 0.000 2.704 659 D HA -0.198 4.450 4.640 0.013 0.000 0.232 659 D C 1.208 177.554 176.300 0.076 0.000 1.183 659 D CA 1.633 55.782 54.000 0.247 0.000 0.647 659 D CB -0.942 39.961 40.800 0.172 0.000 1.013 659 D HN 1.239 nan 8.370 nan 0.000 0.415 660 G N -0.524 108.279 108.800 0.005 0.000 2.234 660 G HA2 -0.382 3.586 3.960 0.013 0.000 0.260 660 G HA3 -0.382 3.586 3.960 0.013 0.000 0.260 660 G C 0.196 175.023 174.900 -0.122 0.000 0.987 660 G CA 0.664 45.663 45.100 -0.168 0.000 0.625 660 G HN 0.525 nan 8.290 nan 0.000 0.532 661 K N 1.836 122.213 120.400 -0.039 0.000 2.263 661 K HA 0.523 4.851 4.320 0.013 0.000 0.272 661 K C -2.723 173.870 176.600 -0.012 0.000 1.033 661 K CA -2.098 54.166 56.287 -0.037 0.000 0.884 661 K CB 1.793 34.283 32.500 -0.017 0.000 1.107 661 K HN 0.031 nan 8.250 nan 0.000 0.460 662 P HA -0.053 nan 4.420 nan 0.000 0.264 662 P C -0.090 177.212 177.300 0.004 0.000 1.193 662 P CA 0.213 63.300 63.100 -0.022 0.000 0.763 662 P CB 0.631 32.297 31.700 -0.056 0.000 0.810 663 L N 1.478 122.722 121.223 0.035 0.000 2.600 663 L HA 0.444 4.791 4.340 0.013 0.000 0.213 663 L C 0.898 177.805 176.870 0.061 0.000 1.045 663 L CA 0.465 55.337 54.840 0.053 0.000 0.863 663 L CB 0.196 42.307 42.059 0.086 0.000 1.189 663 L HN 0.382 nan 8.230 nan 0.000 0.484 664 A N -0.328 122.541 122.820 0.081 0.000 2.609 664 A HA 0.706 5.034 4.320 0.013 0.000 0.291 664 A C -0.994 176.475 177.584 -0.193 0.000 1.096 664 A CA 0.089 52.168 52.037 0.071 0.000 0.684 664 A CB 1.898 21.088 19.000 0.316 0.000 1.282 664 A HN 0.132 nan 8.150 nan 0.000 0.412 665 S N -0.866 114.414 115.700 -0.699 0.000 2.622 665 S HA 0.839 5.316 4.470 0.013 0.000 0.275 665 S C -0.403 173.290 174.600 -1.512 0.000 1.112 665 S CA 0.097 57.491 58.200 -1.343 0.000 0.837 665 S CB 0.744 63.658 63.200 -0.476 0.000 1.082 665 S HN 2.638 nan 8.310 nan 0.000 0.456 666 G N 0.292 107.899 108.800 -1.989 0.000 2.548 666 G HA2 0.662 4.630 3.960 0.013 0.000 0.301 666 G HA3 0.662 4.630 3.960 0.013 0.000 0.301 666 G C -2.223 172.107 174.900 -0.949 0.000 1.349 666 G CA -0.696 43.794 45.100 -1.016 0.000 0.792 666 G HN 0.790 nan 8.290 nan 0.000 0.481 667 E N -1.534 118.457 120.200 -0.349 0.000 2.314 667 E HA 0.667 5.024 4.350 0.013 0.000 0.272 667 E C -1.283 175.340 176.600 0.038 0.000 0.884 667 E CA -0.568 55.700 56.400 -0.220 0.000 0.753 667 E CB 3.177 32.750 29.700 -0.211 0.000 1.213 667 E HN 0.370 nan 8.360 nan 0.000 0.432 668 V N 3.499 123.464 119.914 0.086 0.000 2.733 668 V HA 0.476 4.603 4.120 0.013 0.000 0.306 668 V C -2.430 173.707 176.094 0.071 0.000 1.084 668 V CA -1.909 60.448 62.300 0.096 0.000 0.905 668 V CB 2.232 34.132 31.823 0.128 0.000 1.010 668 V HN 0.583 nan 8.190 nan 0.000 0.424 669 P HA 0.273 nan 4.420 nan 0.000 0.275 669 P C -0.921 176.412 177.300 0.055 0.000 1.228 669 P CA -0.215 62.917 63.100 0.053 0.000 0.786 669 P CB 1.091 32.822 31.700 0.052 0.000 0.927 670 L N 2.755 124.003 121.223 0.041 0.000 2.282 670 L HA 0.329 4.676 4.340 0.013 0.000 0.288 670 L C -0.173 176.722 176.870 0.042 0.000 1.033 670 L CA -0.007 54.843 54.840 0.018 0.000 0.807 670 L CB 1.066 43.087 42.059 -0.062 0.000 1.209 670 L HN 0.322 nan 8.230 nan 0.000 0.423 671 D N 2.941 123.374 120.400 0.055 0.000 2.468 671 D HA 0.326 4.974 4.640 0.013 0.000 0.272 671 D C -1.146 175.147 176.300 -0.012 0.000 1.221 671 D CA 0.014 54.084 54.000 0.117 0.000 0.860 671 D CB 1.171 42.096 40.800 0.208 0.000 1.190 671 D HN 0.030 nan 8.370 nan 0.000 0.509 672 V N 0.810 120.563 119.914 -0.268 0.000 2.604 672 V HA 0.874 5.001 4.120 0.013 0.000 0.305 672 V C 0.702 176.533 176.094 -0.439 0.000 1.043 672 V CA -1.284 60.912 62.300 -0.173 0.000 0.888 672 V CB 1.572 33.420 31.823 0.043 0.000 0.995 672 V HN 0.436 nan 8.190 nan 0.000 0.429 673 A N 5.917 128.664 122.820 -0.122 0.000 2.313 673 A HA 0.702 5.029 4.320 0.013 0.000 0.261 673 A C -2.272 175.328 177.584 0.027 0.000 1.090 673 A CA -1.453 50.613 52.037 0.048 0.000 0.807 673 A CB -0.203 18.902 19.000 0.175 0.000 1.055 673 A HN 0.697 nan 8.150 nan 0.000 0.492 674 P HA 0.031 nan 4.420 nan 0.000 0.265 674 P C -0.438 176.865 177.300 0.006 0.000 1.193 674 P CA 0.591 63.714 63.100 0.038 0.000 0.765 674 P CB 0.437 32.153 31.700 0.026 0.000 0.823 675 Q N -0.941 118.844 119.800 -0.024 0.000 2.406 675 Q HA -0.198 4.149 4.340 0.013 0.000 0.236 675 Q C 0.837 176.831 176.000 -0.009 0.000 0.799 675 Q CA 1.179 56.959 55.803 -0.038 0.000 1.286 675 Q CB -1.908 26.799 28.738 -0.052 0.000 1.615 675 Q HN 0.785 nan 8.270 nan 0.000 0.621 676 G N 0.186 108.994 108.800 0.014 0.000 2.537 676 G HA2 0.609 4.576 3.960 0.013 0.000 0.297 676 G HA3 0.609 4.576 3.960 0.013 0.000 0.297 676 G C -0.503 174.417 174.900 0.034 0.000 1.310 676 G CA -0.499 44.618 45.100 0.029 0.000 1.027 676 G HN -0.016 nan 8.290 nan 0.000 0.505 677 K N -0.839 119.586 120.400 0.041 0.000 2.477 677 K HA 0.477 4.805 4.320 0.013 0.000 0.255 677 K C -1.076 175.556 176.600 0.053 0.000 0.952 677 K CA -0.590 55.724 56.287 0.046 0.000 0.826 677 K CB 2.623 35.144 32.500 0.035 0.000 1.331 677 K HN 0.532 nan 8.250 nan 0.000 0.437 678 Q N 2.977 122.813 119.800 0.060 0.000 2.289 678 Q HA 0.424 4.772 4.340 0.013 0.000 0.270 678 Q C -1.667 174.366 176.000 0.056 0.000 1.038 678 Q CA -0.681 55.157 55.803 0.059 0.000 0.812 678 Q CB 1.392 30.169 28.738 0.065 0.000 1.300 678 Q HN 0.512 nan 8.270 nan 0.000 0.427 679 L N 4.456 125.702 121.223 0.038 0.000 2.322 679 L HA 0.640 4.988 4.340 0.013 0.000 0.279 679 L C -0.408 176.468 176.870 0.010 0.000 1.036 679 L CA -0.881 53.972 54.840 0.022 0.000 0.807 679 L CB 1.436 43.498 42.059 0.005 0.000 1.226 679 L HN 0.589 nan 8.230 nan 0.000 0.433 680 I N 1.835 122.399 120.570 -0.011 0.000 2.500 680 I HA 0.250 4.428 4.170 0.013 0.000 0.286 680 I C -0.825 175.233 176.117 -0.099 0.000 1.063 680 I CA -0.561 60.716 61.300 -0.038 0.000 1.062 680 I CB 2.295 40.285 38.000 -0.017 0.000 1.223 680 I HN 0.566 nan 8.210 nan 0.000 0.435 681 E N 5.890 126.029 120.200 -0.101 0.000 2.200 681 E HA 0.500 4.857 4.350 0.013 0.000 0.283 681 E C -0.716 175.763 176.600 -0.202 0.000 1.015 681 E CA -0.308 56.010 56.400 -0.136 0.000 0.819 681 E CB 1.479 31.123 29.700 -0.093 0.000 1.081 681 E HN 0.406 nan 8.360 nan 0.000 0.397 682 L N 4.739 125.788 121.223 -0.290 0.000 2.421 682 L HA 0.418 4.766 4.340 0.013 0.000 0.263 682 L C -1.892 174.803 176.870 -0.293 0.000 1.122 682 L CA -2.059 52.517 54.840 -0.441 0.000 0.804 682 L CB 0.515 42.207 42.059 -0.612 0.000 1.150 682 L HN 0.385 nan 8.230 nan 0.000 0.457 683 P HA 0.004 nan 4.420 nan 0.000 0.272 683 P C -0.832 176.406 177.300 -0.104 0.000 1.240 683 P CA -0.462 62.573 63.100 -0.108 0.000 0.791 683 P CB 0.335 32.046 31.700 0.019 0.000 0.978 684 E N 1.854 122.026 120.200 -0.046 0.000 2.452 684 E HA -0.002 4.355 4.350 0.013 0.000 0.261 684 E C -0.982 175.610 176.600 -0.014 0.000 0.987 684 E CA 0.241 56.620 56.400 -0.036 0.000 0.926 684 E CB 0.129 29.819 29.700 -0.015 0.000 0.934 684 E HN 0.290 nan 8.360 nan 0.000 0.452 685 L N 4.725 125.933 121.223 -0.024 0.000 2.335 685 L HA 0.454 4.801 4.340 0.013 0.000 0.268 685 L C -2.036 174.851 176.870 0.027 0.000 1.016 685 L CA -2.625 52.223 54.840 0.013 0.000 0.805 685 L CB 1.481 43.535 42.059 -0.009 0.000 1.311 685 L HN 0.559 nan 8.230 nan 0.000 0.456 686 P HA 0.070 nan 4.420 nan 0.000 0.267 686 P C -1.341 175.977 177.300 0.030 0.000 1.205 686 P CA -0.212 62.916 63.100 0.047 0.000 0.765 686 P CB 0.562 32.301 31.700 0.065 0.000 0.828 687 Q N 4.064 123.878 119.800 0.023 0.000 2.508 687 Q HA 0.282 4.629 4.340 0.013 0.000 0.247 687 Q C -1.642 174.369 176.000 0.019 0.000 1.047 687 Q CA -1.538 54.274 55.803 0.014 0.000 0.783 687 Q CB 0.519 29.261 28.738 0.006 0.000 1.172 687 Q HN 0.304 nan 8.270 nan 0.000 0.515 688 P HA -0.147 nan 4.420 nan 0.000 0.212 688 P C -0.130 177.184 177.300 0.022 0.000 1.178 688 P CA 0.892 64.007 63.100 0.026 0.000 0.915 688 P CB 0.503 32.223 31.700 0.032 0.000 0.788 689 E N -3.502 116.709 120.200 0.020 0.000 4.113 689 E HA -0.148 4.209 4.350 0.013 0.000 0.149 689 E C 0.483 177.096 176.600 0.021 0.000 0.938 689 E CA 1.290 57.700 56.400 0.018 0.000 2.745 689 E CB -2.047 27.663 29.700 0.016 0.000 1.513 689 E HN 0.172 nan 8.360 nan 0.000 0.633 690 S N 0.584 116.300 115.700 0.026 0.000 2.573 690 S HA 0.342 4.820 4.470 0.013 0.000 0.297 690 S C 0.499 175.120 174.600 0.036 0.000 1.280 690 S CA 0.296 58.514 58.200 0.030 0.000 1.061 690 S CB 0.368 63.587 63.200 0.032 0.000 0.812 690 S HN 0.621 nan 8.310 nan 0.000 0.500 691 A N 3.981 126.824 122.820 0.039 0.000 2.507 691 A HA 0.617 4.944 4.320 0.013 0.000 0.235 691 A C 1.033 178.652 177.584 0.059 0.000 1.070 691 A CA 0.396 52.460 52.037 0.045 0.000 0.768 691 A CB -0.682 18.346 19.000 0.047 0.000 1.011 691 A HN 2.082 nan 8.150 nan 0.000 0.502 692 G N -0.423 108.415 108.800 0.063 0.000 2.351 692 G HA2 0.454 4.422 3.960 0.013 0.000 0.353 692 G HA3 0.454 4.422 3.960 0.013 0.000 0.353 692 G C -1.076 173.870 174.900 0.075 0.000 1.358 692 G CA -0.139 45.014 45.100 0.089 0.000 0.995 692 G HN 1.260 nan 8.290 nan 0.000 0.611 693 Q N -0.341 119.529 119.800 0.118 0.000 2.293 693 Q HA 0.736 5.084 4.340 0.013 0.000 0.261 693 Q C -0.419 175.658 176.000 0.128 0.000 0.960 693 Q CA -0.647 55.187 55.803 0.053 0.000 0.882 693 Q CB 1.399 30.135 28.738 -0.003 0.000 1.275 693 Q HN 0.605 nan 8.270 nan 0.000 0.445 694 L N 4.511 125.735 121.223 0.002 0.000 2.331 694 L HA 0.430 4.777 4.340 0.013 0.000 0.278 694 L C -0.903 175.955 176.870 -0.019 0.000 1.106 694 L CA -0.269 54.614 54.840 0.072 0.000 0.824 694 L CB 0.577 42.651 42.059 0.026 0.000 1.142 694 L HN 0.704 nan 8.230 nan 0.000 0.443 695 W N 4.656 126.000 121.300 0.073 0.000 2.702 695 W HA 0.509 5.177 4.660 0.012 0.000 0.331 695 W C -0.755 175.864 176.519 0.166 0.000 1.049 695 W CA -0.534 56.877 57.345 0.111 0.000 1.230 695 W CB 1.690 31.224 29.460 0.123 0.000 1.408 695 W HN 0.135 nan 8.180 nan 0.000 0.492 696 L N 3.289 124.791 121.223 0.466 0.000 2.307 696 L HA 0.795 5.142 4.340 0.013 0.000 0.284 696 L C -0.370 176.823 176.870 0.538 0.000 1.023 696 L CA 0.198 55.300 54.840 0.438 0.000 0.810 696 L CB 1.387 43.650 42.059 0.340 0.000 1.231 696 L HN 0.326 nan 8.230 nan 0.000 0.423 697 T N 5.068 119.885 114.554 0.439 0.000 2.848 697 T HA 0.644 5.001 4.350 0.013 0.000 0.285 697 T C -0.712 174.204 174.700 0.360 0.000 0.995 697 T CA -0.432 61.890 62.100 0.371 0.000 0.970 697 T CB 1.535 70.547 68.868 0.239 0.000 0.976 697 T HN 0.634 nan 8.240 nan 0.000 0.441 698 V N 1.601 121.708 119.914 0.322 0.000 2.769 698 V HA 0.859 4.986 4.120 0.013 0.000 0.312 698 V C -0.727 175.473 176.094 0.177 0.000 1.061 698 V CA -1.120 61.331 62.300 0.253 0.000 0.931 698 V CB 1.947 33.873 31.823 0.173 0.000 1.010 698 V HN 0.828 nan 8.190 nan 0.000 0.433 699 R N 2.073 122.697 120.500 0.207 0.000 2.725 699 R HA 0.799 5.147 4.340 0.013 0.000 0.277 699 R C -1.731 174.711 176.300 0.237 0.000 0.987 699 R CA -0.783 55.458 56.100 0.234 0.000 0.901 699 R CB 2.747 33.144 30.300 0.163 0.000 1.207 699 R HN 0.686 nan 8.270 nan 0.000 0.463 700 V N 3.195 123.273 119.914 0.273 0.000 2.370 700 V HA 0.391 4.518 4.120 0.013 0.000 0.283 700 V C -0.385 175.832 176.094 0.206 0.000 1.023 700 V CA -0.622 61.806 62.300 0.214 0.000 0.857 700 V CB 1.651 33.592 31.823 0.196 0.000 0.985 700 V HN 0.425 nan 8.190 nan 0.000 0.443 701 V N 4.972 124.981 119.914 0.159 0.000 2.628 701 V HA 0.429 4.556 4.120 0.013 0.000 0.306 701 V C -0.237 175.940 176.094 0.139 0.000 1.045 701 V CA -0.751 61.635 62.300 0.143 0.000 0.905 701 V CB 2.032 33.929 31.823 0.124 0.000 0.997 701 V HN 0.869 nan 8.190 nan 0.000 0.436 702 Q N 5.147 125.040 119.800 0.155 0.000 2.390 702 Q HA 0.279 4.626 4.340 0.013 0.000 0.249 702 Q C -1.734 174.307 176.000 0.070 0.000 0.996 702 Q CA -1.778 54.097 55.803 0.121 0.000 0.899 702 Q CB 1.982 30.802 28.738 0.136 0.000 1.216 702 Q HN 0.489 nan 8.270 nan 0.000 0.465 703 P HA -0.144 nan 4.420 nan 0.000 0.219 703 P C -0.526 176.780 177.300 0.011 0.000 1.150 703 P CA 1.074 64.195 63.100 0.035 0.000 0.814 703 P CB 0.423 32.144 31.700 0.034 0.000 0.787 704 N N -0.704 117.993 118.700 -0.005 0.000 2.430 704 N HA 0.467 5.215 4.740 0.013 0.000 0.298 704 N C -0.364 175.100 175.510 -0.078 0.000 1.130 704 N CA -0.764 52.267 53.050 -0.032 0.000 0.894 704 N CB 1.195 39.664 38.487 -0.029 0.000 1.209 704 N HN -0.069 nan 8.380 nan 0.000 0.503 705 A N 0.470 123.237 122.820 -0.089 0.000 2.366 705 A HA 0.509 4.837 4.320 0.013 0.000 0.249 705 A C 0.517 177.977 177.584 -0.206 0.000 1.084 705 A CA -0.078 51.868 52.037 -0.152 0.000 0.794 705 A CB 0.119 19.054 19.000 -0.108 0.000 1.034 705 A HN 0.701 nan 8.150 nan 0.000 0.491 706 T N -3.291 111.055 114.554 -0.347 0.000 2.742 706 T HA 0.623 4.980 4.350 0.013 0.000 0.282 706 T C 0.982 175.503 174.700 -0.298 0.000 1.025 706 T CA 0.091 61.959 62.100 -0.387 0.000 1.020 706 T CB 1.039 69.410 68.868 -0.828 0.000 1.317 706 T HN 1.352 nan 8.240 nan 0.000 0.538 707 A N -0.089 122.633 122.820 -0.162 0.000 2.067 707 A HA 0.115 4.443 4.320 0.013 0.000 0.219 707 A C 1.667 179.360 177.584 0.181 0.000 1.158 707 A CA 1.106 53.168 52.037 0.043 0.000 0.661 707 A CB -0.855 18.219 19.000 0.123 0.000 0.801 707 A HN 0.916 nan 8.150 nan 0.000 0.452 708 W N -0.637 120.727 121.300 0.107 0.000 2.862 708 W HA 0.440 5.108 4.660 0.013 0.000 0.376 708 W C -0.202 176.296 176.519 -0.035 0.000 1.028 708 W CA 0.431 57.818 57.345 0.070 0.000 1.757 708 W CB -0.995 28.502 29.460 0.061 0.000 1.128 708 W HN 0.417 nan 8.180 nan 0.000 0.566 709 S N -0.076 115.229 115.700 -0.659 0.000 2.570 709 S HA 0.433 4.910 4.470 0.013 0.000 0.270 709 S C -0.966 173.406 174.600 -0.380 0.000 1.149 709 S CA -0.762 57.063 58.200 -0.624 0.000 0.837 709 S CB 2.770 65.182 63.200 -1.313 0.000 1.124 709 S HN 0.105 nan 8.310 nan 0.000 0.465 710 E N 0.639 120.729 120.200 -0.183 0.000 2.283 710 E HA 0.568 4.925 4.350 0.013 0.000 0.271 710 E C 0.313 176.885 176.600 -0.047 0.000 1.031 710 E CA -0.761 55.592 56.400 -0.078 0.000 0.868 710 E CB 1.737 31.437 29.700 0.000 0.000 1.094 710 E HN 0.885 nan 8.360 nan 0.000 0.401 711 A N 0.791 123.589 122.820 -0.037 0.000 2.555 711 A HA 0.327 4.655 4.320 0.013 0.000 0.233 711 A C 1.219 178.820 177.584 0.029 0.000 1.060 711 A CA 0.966 52.996 52.037 -0.013 0.000 0.759 711 A CB -0.402 18.591 19.000 -0.011 0.000 0.995 711 A HN 0.840 nan 8.150 nan 0.000 0.506 712 G N 0.148 108.978 108.800 0.049 0.000 2.179 712 G HA2 -0.276 3.692 3.960 0.013 0.000 0.260 712 G HA3 -0.276 3.692 3.960 0.013 0.000 0.260 712 G C 0.243 175.202 174.900 0.099 0.000 0.977 712 G CA 0.912 46.049 45.100 0.062 0.000 0.641 712 G HN 1.864 nan 8.290 nan 0.000 0.533 713 H N 0.985 120.065 119.070 0.017 0.000 2.897 713 H HA 0.434 4.998 4.556 0.012 0.000 0.347 713 H C 0.735 176.136 175.328 0.122 0.000 1.068 713 H CA -0.104 55.979 56.048 0.059 0.000 1.426 713 H CB 0.291 30.070 29.762 0.028 0.000 1.410 713 H HN 0.151 nan 8.280 nan 0.000 0.597 714 I N 5.166 125.524 120.570 -0.352 0.000 2.312 714 I HA 0.003 4.181 4.170 0.013 0.000 0.291 714 I C 0.922 176.944 176.117 -0.159 0.000 1.031 714 I CA 0.027 61.244 61.300 -0.138 0.000 1.293 714 I CB 1.232 39.183 38.000 -0.082 0.000 1.403 714 I HN 0.802 nan 8.210 nan 0.000 0.484 715 S N 4.101 119.930 115.700 0.214 0.000 2.511 715 S HA 0.525 5.002 4.470 0.013 0.000 0.214 715 S C 0.528 175.417 174.600 0.481 0.000 0.997 715 S CA -0.107 58.352 58.200 0.432 0.000 0.908 715 S CB 0.653 64.222 63.200 0.614 0.000 0.803 715 S HN 0.744 nan 8.310 nan 0.000 0.504 716 A N 0.565 123.692 122.820 0.513 0.000 2.608 716 A HA 0.688 5.015 4.320 0.013 0.000 0.292 716 A C -1.780 176.179 177.584 0.624 0.000 1.066 716 A CA -0.924 51.405 52.037 0.487 0.000 0.676 716 A CB 0.441 19.773 19.000 0.552 0.000 1.277 716 A HN 0.925 nan 8.150 nan 0.000 0.413 717 W N -0.187 121.306 121.300 0.321 0.000 3.005 717 W HA 0.799 5.468 4.660 0.013 0.000 0.343 717 W C -1.208 175.393 176.519 0.137 0.000 1.243 717 W CA -0.601 56.832 57.345 0.147 0.000 1.186 717 W CB 1.162 30.666 29.460 0.074 0.000 1.453 717 W HN 1.062 nan 8.180 nan 0.000 0.575 718 Q N 1.090 120.955 119.800 0.110 0.000 2.527 718 Q HA 0.432 4.780 4.340 0.013 0.000 0.280 718 Q C -1.830 174.045 176.000 -0.208 0.000 0.977 718 Q CA -0.456 55.249 55.803 -0.165 0.000 0.837 718 Q CB 2.434 30.885 28.738 -0.479 0.000 1.454 718 Q HN 0.638 nan 8.270 nan 0.000 0.387 719 Q N 1.356 120.964 119.800 -0.320 0.000 2.423 719 Q HA 0.661 5.009 4.340 0.013 0.000 0.278 719 Q C -1.380 174.571 176.000 -0.081 0.000 1.097 719 Q CA -0.652 55.172 55.803 0.035 0.000 0.809 719 Q CB 2.022 30.957 28.738 0.329 0.000 1.391 719 Q HN 0.649 nan 8.270 nan 0.000 0.428 720 W N 1.332 122.785 121.300 0.256 0.000 3.032 720 W HA 0.470 5.137 4.660 0.012 0.000 0.335 720 W C -0.422 176.000 176.519 -0.162 0.000 1.154 720 W CA -0.777 56.613 57.345 0.074 0.000 1.204 720 W CB 1.716 31.184 29.460 0.014 0.000 1.416 720 W HN 0.403 nan 8.180 nan 0.000 0.521 721 R N 1.862 122.183 120.500 -0.297 0.000 2.340 721 R HA 0.387 4.735 4.340 0.013 0.000 0.300 721 R C 0.523 176.630 176.300 -0.322 0.000 1.069 721 R CA -0.070 55.547 56.100 -0.805 0.000 0.984 721 R CB 1.004 30.823 30.300 -0.800 0.000 1.003 721 R HN 0.323 nan 8.270 nan 0.000 0.459 722 L N 1.511 122.573 121.223 -0.268 0.000 2.674 722 L HA 0.494 4.842 4.340 0.013 0.000 0.182 722 L C 0.660 177.439 176.870 -0.152 0.000 1.867 722 L CA -0.850 53.905 54.840 -0.143 0.000 2.994 722 L CB -0.242 41.770 42.059 -0.078 0.000 2.945 722 L HN 0.572 nan 8.230 nan 0.000 0.729 723 A N 0.297 123.057 122.820 -0.100 0.000 2.445 723 A HA 0.215 4.542 4.320 0.013 0.000 0.242 723 A C -0.316 177.216 177.584 -0.087 0.000 1.075 723 A CA 0.124 52.112 52.037 -0.082 0.000 0.777 723 A CB 0.182 19.153 19.000 -0.049 0.000 1.013 723 A HN 0.574 nan 8.150 nan 0.000 0.493 724 E N 1.150 121.306 120.200 -0.074 0.000 2.187 724 E HA 0.303 4.661 4.350 0.013 0.000 0.268 724 E C -1.339 175.247 176.600 -0.023 0.000 0.896 724 E CA -0.682 55.683 56.400 -0.058 0.000 0.766 724 E CB 0.817 30.473 29.700 -0.073 0.000 1.142 724 E HN 0.666 nan 8.360 nan 0.000 0.408 725 N N 5.180 123.878 118.700 -0.002 0.000 2.626 725 N HA 0.248 4.996 4.740 0.013 0.000 0.242 725 N C -0.621 174.901 175.510 0.020 0.000 1.005 725 N CA -0.327 52.729 53.050 0.009 0.000 0.905 725 N CB 1.035 39.531 38.487 0.014 0.000 1.128 725 N HN 0.498 nan 8.380 nan 0.000 0.512 726 L N 0.923 122.157 121.223 0.017 0.000 2.499 726 L HA 0.048 4.395 4.340 0.013 0.000 0.273 726 L C 1.303 178.193 176.870 0.032 0.000 1.195 726 L CA 0.224 55.080 54.840 0.027 0.000 0.882 726 L CB 0.310 42.384 42.059 0.024 0.000 1.133 726 L HN 0.333 nan 8.230 nan 0.000 0.483 727 S N 2.216 117.941 115.700 0.041 0.000 2.465 727 S HA 0.172 4.650 4.470 0.013 0.000 0.280 727 S C 0.782 175.404 174.600 0.037 0.000 1.232 727 S CA -0.788 57.437 58.200 0.041 0.000 1.066 727 S CB 0.664 63.894 63.200 0.050 0.000 0.929 727 S HN 0.481 nan 8.310 nan 0.000 0.494 728 V N 2.657 122.589 119.914 0.031 0.000 3.578 728 V HA 0.288 4.416 4.120 0.013 0.000 0.290 728 V C 0.647 176.757 176.094 0.026 0.000 1.376 728 V CA 0.056 62.372 62.300 0.027 0.000 1.083 728 V CB -0.760 31.076 31.823 0.021 0.000 0.911 728 V HN 0.823 nan 8.190 nan 0.000 0.433 729 T N 1.624 116.196 114.554 0.029 0.000 2.752 729 T HA 0.632 4.989 4.350 0.013 0.000 0.295 729 T C -0.252 174.465 174.700 0.029 0.000 0.923 729 T CA -0.271 61.845 62.100 0.028 0.000 1.112 729 T CB 0.781 69.667 68.868 0.030 0.000 0.884 729 T HN 0.264 nan 8.240 nan 0.000 0.525 730 L N 5.259 126.497 121.223 0.024 0.000 2.380 730 L HA 0.370 4.718 4.340 0.013 0.000 0.273 730 L C -1.412 175.472 176.870 0.023 0.000 1.138 730 L CA -1.586 53.267 54.840 0.023 0.000 0.832 730 L CB -0.472 41.597 42.059 0.017 0.000 1.124 730 L HN 0.521 nan 8.230 nan 0.000 0.454 731 P HA 0.252 nan 4.420 nan 0.000 0.272 731 P C -0.725 176.583 177.300 0.013 0.000 1.230 731 P CA -0.584 62.531 63.100 0.025 0.000 0.788 731 P CB 0.600 32.318 31.700 0.029 0.000 0.949 732 A N 1.393 124.221 122.820 0.015 0.000 2.407 732 A HA 0.521 4.848 4.320 0.013 0.000 0.248 732 A C 0.491 178.053 177.584 -0.036 0.000 1.082 732 A CA -0.117 51.922 52.037 0.002 0.000 0.785 732 A CB -0.279 18.736 19.000 0.025 0.000 1.020 732 A HN 0.680 nan 8.150 nan 0.000 0.489 733 A N 1.689 124.468 122.820 -0.069 0.000 2.407 733 A HA 0.523 4.851 4.320 0.013 0.000 0.248 733 A C 0.819 178.219 177.584 -0.307 0.000 1.082 733 A CA 0.292 52.251 52.037 -0.131 0.000 0.785 733 A CB -0.210 18.727 19.000 -0.104 0.000 1.020 733 A HN 1.792 nan 8.150 nan 0.000 0.489 734 S N 0.778 116.304 115.700 -0.290 0.000 2.513 734 S HA 0.386 4.863 4.470 0.013 0.000 0.276 734 S C -0.293 174.060 174.600 -0.411 0.000 1.254 734 S CA -0.551 57.420 58.200 -0.382 0.000 1.053 734 S CB 0.275 63.407 63.200 -0.114 0.000 0.958 734 S HN 0.657 nan 8.310 nan 0.000 0.491 735 H N 1.438 120.524 119.070 0.026 0.000 2.813 735 H HA 0.681 5.245 4.556 0.013 0.000 0.312 735 H C 0.328 175.674 175.328 0.030 0.000 1.228 735 H CA 0.303 56.365 56.048 0.024 0.000 1.154 735 H CB -0.672 29.102 29.762 0.020 0.000 1.418 735 H HN 0.905 nan 8.280 nan 0.000 0.525 736 A N 1.143 124.000 122.820 0.061 0.000 2.597 736 A HA 0.554 4.881 4.320 0.013 0.000 0.292 736 A C -1.780 175.835 177.584 0.053 0.000 1.057 736 A CA -0.741 51.342 52.037 0.077 0.000 0.674 736 A CB 1.612 20.672 19.000 0.100 0.000 1.278 736 A HN 0.237 nan 8.150 nan 0.000 0.416 737 I N 1.340 121.959 120.570 0.083 0.000 2.571 737 I HA 0.629 4.807 4.170 0.013 0.000 0.289 737 I C -3.072 173.130 176.117 0.142 0.000 1.115 737 I CA -2.249 59.097 61.300 0.076 0.000 1.045 737 I CB 1.990 40.014 38.000 0.041 0.000 1.238 737 I HN 0.365 nan 8.210 nan 0.000 0.424 738 P HA 0.336 nan 4.420 nan 0.000 0.275 738 P C -1.085 176.349 177.300 0.223 0.000 1.228 738 P CA 0.180 63.372 63.100 0.154 0.000 0.786 738 P CB 0.407 32.145 31.700 0.063 0.000 0.927 739 H N 0.783 119.881 119.070 0.047 0.000 2.472 739 H HA 0.414 4.977 4.556 0.012 0.000 0.338 739 H C -0.642 174.711 175.328 0.042 0.000 1.133 739 H CA -0.915 55.152 56.048 0.031 0.000 1.216 739 H CB 1.746 31.528 29.762 0.034 0.000 1.497 739 H HN 0.255 nan 8.280 nan 0.000 0.500 740 L N 2.408 123.691 121.223 0.100 0.000 2.307 740 L HA 0.336 4.684 4.340 0.013 0.000 0.284 740 L C -0.505 176.415 176.870 0.083 0.000 1.023 740 L CA -0.039 54.840 54.840 0.066 0.000 0.810 740 L CB 1.657 43.692 42.059 -0.040 0.000 1.231 740 L HN 0.519 nan 8.230 nan 0.000 0.423 741 T N 3.233 117.862 114.554 0.125 0.000 2.863 741 T HA 0.710 5.068 4.350 0.013 0.000 0.285 741 T C -0.636 174.168 174.700 0.174 0.000 1.009 741 T CA -0.397 61.775 62.100 0.120 0.000 0.989 741 T CB 1.602 70.532 68.868 0.104 0.000 1.004 741 T HN 0.709 nan 8.240 nan 0.000 0.455 742 T N 1.964 116.613 114.554 0.159 0.000 2.916 742 T HA 0.832 5.189 4.350 0.013 0.000 0.292 742 T C -0.592 174.169 174.700 0.100 0.000 1.055 742 T CA -0.808 61.416 62.100 0.205 0.000 1.009 742 T CB 1.671 70.687 68.868 0.248 0.000 1.118 742 T HN 0.760 nan 8.240 nan 0.000 0.497 743 S N -0.143 115.586 115.700 0.048 0.000 2.625 743 S HA 0.441 4.918 4.470 0.013 0.000 0.271 743 S C 0.672 175.237 174.600 -0.058 0.000 1.161 743 S CA -0.834 57.367 58.200 0.001 0.000 0.820 743 S CB 1.710 64.912 63.200 0.003 0.000 1.137 743 S HN 0.742 nan 8.310 nan 0.000 0.470 744 E N -0.377 119.793 120.200 -0.050 0.000 2.118 744 E HA -0.121 4.236 4.350 0.013 0.000 0.195 744 E C 1.125 177.649 176.600 -0.126 0.000 0.992 744 E CA 1.280 57.634 56.400 -0.077 0.000 0.804 744 E CB -0.103 29.568 29.700 -0.048 0.000 0.741 744 E HN 0.578 nan 8.360 nan 0.000 0.458 745 M N 0.489 120.030 119.600 -0.099 0.000 2.501 745 M HA 0.136 4.624 4.480 0.013 0.000 0.261 745 M C -0.168 176.055 176.300 -0.128 0.000 1.129 745 M CA 0.739 55.982 55.300 -0.095 0.000 1.126 745 M CB 0.168 32.746 32.600 -0.037 0.000 1.359 745 M HN -0.067 nan 8.290 nan 0.000 0.471 746 D N -1.557 118.752 120.400 -0.151 0.000 2.615 746 D HA 0.366 5.014 4.640 0.013 0.000 0.267 746 D C -1.432 174.792 176.300 -0.127 0.000 1.236 746 D CA -0.397 53.524 54.000 -0.132 0.000 0.839 746 D CB 1.884 42.710 40.800 0.044 0.000 1.380 746 D HN -0.067 nan 8.370 nan 0.000 0.433 747 F N 0.855 120.884 119.950 0.131 0.000 2.426 747 F HA 0.402 4.936 4.527 0.012 0.000 0.348 747 F C 0.025 175.951 175.800 0.210 0.000 1.124 747 F CA -0.724 57.347 58.000 0.118 0.000 1.008 747 F CB 1.371 40.399 39.000 0.045 0.000 1.139 747 F HN 0.066 nan 8.300 nan 0.000 0.452 748 C N 4.871 124.387 119.300 0.360 0.000 2.417 748 C HA 0.755 5.223 4.460 0.013 0.000 0.324 748 C C -0.223 174.933 174.990 0.277 0.000 1.240 748 C CA -0.980 58.221 59.018 0.306 0.000 1.632 748 C CB 0.701 28.550 27.740 0.181 0.000 2.241 748 C HN 0.592 nan 8.230 nan 0.000 0.499 749 I N 2.107 122.889 120.570 0.354 0.000 2.545 749 I HA 0.549 4.727 4.170 0.013 0.000 0.292 749 I C -0.245 176.121 176.117 0.416 0.000 1.040 749 I CA -0.190 61.308 61.300 0.331 0.000 1.068 749 I CB 1.632 39.818 38.000 0.309 0.000 1.251 749 I HN 0.686 nan 8.210 nan 0.000 0.424 750 E N 5.095 125.481 120.200 0.310 0.000 2.293 750 E HA 0.738 5.095 4.350 0.013 0.000 0.270 750 E C -1.896 174.859 176.600 0.259 0.000 0.879 750 E CA -0.806 55.750 56.400 0.260 0.000 0.756 750 E CB 2.298 32.047 29.700 0.081 0.000 1.208 750 E HN 0.484 nan 8.360 nan 0.000 0.428 751 L N 4.731 126.122 121.223 0.280 0.000 2.611 751 L HA 0.549 4.897 4.340 0.013 0.000 0.263 751 L C 0.048 176.998 176.870 0.132 0.000 0.969 751 L CA 0.866 55.839 54.840 0.221 0.000 0.894 751 L CB 1.116 43.376 42.059 0.336 0.000 1.229 751 L HN 0.784 nan 8.230 nan 0.000 0.416 752 G N 4.404 113.235 108.800 0.051 0.000 2.566 752 G HA2 -0.389 3.579 3.960 0.013 0.000 0.280 752 G HA3 -0.389 3.579 3.960 0.013 0.000 0.280 752 G C 0.491 175.383 174.900 -0.014 0.000 1.225 752 G CA 0.404 45.515 45.100 0.018 0.000 0.966 752 G HN 1.175 nan 8.290 nan 0.000 0.560 753 N N 1.311 119.998 118.700 -0.022 0.000 2.485 753 N HA 0.056 4.803 4.740 0.013 0.000 0.199 753 N C 0.291 175.751 175.510 -0.082 0.000 1.236 753 N CA 0.903 53.923 53.050 -0.050 0.000 0.852 753 N CB 0.153 38.614 38.487 -0.042 0.000 1.018 753 N HN 0.711 nan 8.380 nan 0.000 0.457 754 K N 0.572 120.917 120.400 -0.091 0.000 2.324 754 K HA 0.486 4.813 4.320 0.013 0.000 0.253 754 K C -0.465 175.952 176.600 -0.305 0.000 0.932 754 K CA -0.583 55.541 56.287 -0.272 0.000 0.799 754 K CB 2.229 34.536 32.500 -0.322 0.000 1.154 754 K HN -0.013 nan 8.250 nan 0.000 0.425 755 R N 1.369 121.602 120.500 -0.443 0.000 2.725 755 R HA 0.460 4.808 4.340 0.013 0.000 0.277 755 R C -1.200 174.970 176.300 -0.218 0.000 0.987 755 R CA -0.814 55.194 56.100 -0.153 0.000 0.901 755 R CB 1.971 32.236 30.300 -0.059 0.000 1.207 755 R HN 0.530 nan 8.270 nan 0.000 0.463 756 W N 1.959 123.377 121.300 0.196 0.000 2.883 756 W HA 0.358 5.025 4.660 0.012 0.000 0.335 756 W C -0.617 176.013 176.519 0.185 0.000 1.083 756 W CA -0.559 56.858 57.345 0.120 0.000 1.233 756 W CB 2.349 31.886 29.460 0.129 0.000 1.412 756 W HN 0.390 nan 8.180 nan 0.000 0.490 757 Q N 2.531 122.476 119.800 0.241 0.000 2.321 757 Q HA 0.464 4.811 4.340 0.013 0.000 0.270 757 Q C -1.928 174.065 176.000 -0.011 0.000 1.032 757 Q CA -0.484 55.468 55.803 0.248 0.000 0.784 757 Q CB 1.577 30.505 28.738 0.317 0.000 1.264 757 Q HN 0.331 nan 8.270 nan 0.000 0.448 758 F N 2.518 122.561 119.950 0.155 0.000 2.444 758 F HA 0.340 4.874 4.527 0.012 0.000 0.342 758 F C 0.505 176.330 175.800 0.041 0.000 1.121 758 F CA -0.891 57.163 58.000 0.089 0.000 0.997 758 F CB 1.406 40.463 39.000 0.096 0.000 1.130 758 F HN 0.490 nan 8.300 nan 0.000 0.454 759 N N 3.621 122.422 118.700 0.168 0.000 2.442 759 N HA 0.096 4.844 4.740 0.013 0.000 0.265 759 N C 0.811 176.323 175.510 0.004 0.000 1.138 759 N CA -0.054 53.040 53.050 0.074 0.000 0.956 759 N CB 0.746 39.286 38.487 0.088 0.000 1.067 759 N HN 0.705 nan 8.380 nan 0.000 0.474 760 R N 2.177 122.606 120.500 -0.119 0.000 2.276 760 R HA -0.080 4.268 4.340 0.013 0.000 0.203 760 R C 1.685 177.906 176.300 -0.132 0.000 1.017 760 R CA 0.647 56.620 56.100 -0.211 0.000 1.010 760 R CB 0.173 30.229 30.300 -0.408 0.000 0.900 760 R HN 0.686 nan 8.270 nan 0.000 0.469 761 Q N 0.630 120.385 119.800 -0.075 0.000 2.204 761 Q HA -0.055 4.292 4.340 0.013 0.000 0.198 761 Q C 1.747 177.726 176.000 -0.035 0.000 0.946 761 Q CA 1.433 57.204 55.803 -0.052 0.000 0.859 761 Q CB 0.312 29.037 28.738 -0.022 0.000 0.946 761 Q HN 0.291 nan 8.270 nan 0.000 0.474 762 S N -1.685 114.016 115.700 0.003 0.000 2.456 762 S HA 0.236 4.714 4.470 0.013 0.000 0.224 762 S C 1.430 175.939 174.600 -0.152 0.000 1.035 762 S CA 0.652 58.874 58.200 0.037 0.000 0.940 762 S CB 0.517 63.850 63.200 0.222 0.000 0.799 762 S HN 0.644 nan 8.310 nan 0.000 0.508 763 G N 0.369 109.091 108.800 -0.130 0.000 2.141 763 G HA2 -0.198 3.770 3.960 0.013 0.000 0.242 763 G HA3 -0.198 3.770 3.960 0.013 0.000 0.242 763 G C -0.094 174.701 174.900 -0.175 0.000 0.982 763 G CA 0.175 45.161 45.100 -0.189 0.000 0.662 763 G HN 0.527 nan 8.290 nan 0.000 0.527 764 F N -1.188 118.925 119.950 0.271 0.000 2.575 764 F HA 0.688 5.223 4.527 0.013 0.000 0.330 764 F C 0.482 176.302 175.800 0.032 0.000 1.056 764 F CA -1.484 56.641 58.000 0.209 0.000 0.964 764 F CB 1.431 40.516 39.000 0.142 0.000 1.258 764 F HN 0.012 nan 8.300 nan 0.000 0.484 765 L N 1.880 123.136 121.223 0.054 0.000 2.485 765 L HA 0.151 4.498 4.340 0.013 0.000 0.279 765 L C 0.981 177.742 176.870 -0.181 0.000 1.124 765 L CA 0.469 54.998 54.840 -0.519 0.000 0.888 765 L CB 0.360 42.087 42.059 -0.554 0.000 1.217 765 L HN 0.702 nan 8.230 nan 0.000 0.464 766 S N 2.696 118.294 115.700 -0.170 0.000 2.492 766 S HA 0.230 4.708 4.470 0.013 0.000 0.218 766 S C 0.571 175.063 174.600 -0.180 0.000 1.016 766 S CA 0.077 58.227 58.200 -0.083 0.000 0.916 766 S CB 0.089 63.293 63.200 0.007 0.000 0.791 766 S HN 0.693 nan 8.310 nan 0.000 0.513 767 Q N -0.327 119.313 119.800 -0.266 0.000 2.578 767 Q HA 0.688 5.036 4.340 0.013 0.000 0.284 767 Q C -1.950 173.719 176.000 -0.552 0.000 0.960 767 Q CA -0.345 55.175 55.803 -0.472 0.000 0.809 767 Q CB 1.674 30.022 28.738 -0.649 0.000 1.462 767 Q HN 0.420 nan 8.270 nan 0.000 0.392 768 M N 1.564 120.705 119.600 -0.764 0.000 2.484 768 M HA 0.585 5.072 4.480 0.013 0.000 0.289 768 M C -1.665 174.208 176.300 -0.712 0.000 1.206 768 M CA -0.410 54.517 55.300 -0.622 0.000 0.892 768 M CB 2.143 34.365 32.600 -0.630 0.000 1.712 768 M HN 0.552 nan 8.290 nan 0.000 0.462 769 W N 3.519 124.587 121.300 -0.386 0.000 2.785 769 W HA 0.607 5.275 4.660 0.013 0.000 0.333 769 W C -1.413 174.906 176.519 -0.334 0.000 1.062 769 W CA -0.608 56.567 57.345 -0.283 0.000 1.233 769 W CB 1.653 30.978 29.460 -0.224 0.000 1.413 769 W HN 0.458 nan 8.180 nan 0.000 0.489 770 I N 2.941 123.490 120.570 -0.035 0.000 2.411 770 I HA 0.428 4.605 4.170 0.013 0.000 0.284 770 I C 0.799 176.897 176.117 -0.031 0.000 1.012 770 I CA 0.365 61.609 61.300 -0.092 0.000 1.119 770 I CB 1.171 39.094 38.000 -0.128 0.000 1.261 770 I HN 0.716 nan 8.210 nan 0.000 0.448 771 G N 5.572 114.351 108.800 -0.035 0.000 2.543 771 G HA2 -0.257 3.710 3.960 0.013 0.000 0.286 771 G HA3 -0.257 3.710 3.960 0.013 0.000 0.286 771 G C 0.208 175.121 174.900 0.022 0.000 1.153 771 G CA 0.369 45.456 45.100 -0.021 0.000 0.968 771 G HN 0.571 nan 8.290 nan 0.000 0.544 772 D N 0.910 121.339 120.400 0.049 0.000 2.479 772 D HA 0.303 4.950 4.640 0.013 0.000 0.218 772 D C 0.496 176.935 176.300 0.232 0.000 1.177 772 D CA 0.034 54.099 54.000 0.109 0.000 0.830 772 D CB 0.866 41.679 40.800 0.022 0.000 1.014 772 D HN 0.160 nan 8.370 nan 0.000 0.503 773 K N 1.373 121.860 120.400 0.145 0.000 2.211 773 K HA 0.277 4.604 4.320 0.013 0.000 0.275 773 K C 0.041 176.600 176.600 -0.068 0.000 1.024 773 K CA -0.406 55.915 56.287 0.057 0.000 0.887 773 K CB 1.197 33.685 32.500 -0.019 0.000 1.084 773 K HN -0.218 nan 8.250 nan 0.000 0.463 774 K N 2.149 122.413 120.400 -0.227 0.000 2.382 774 K HA 0.022 4.349 4.320 0.013 0.000 0.275 774 K C 0.738 177.118 176.600 -0.368 0.000 1.009 774 K CA 0.065 55.994 56.287 -0.597 0.000 0.970 774 K CB 0.636 32.852 32.500 -0.474 0.000 0.934 774 K HN 0.423 nan 8.250 nan 0.000 0.479 775 Q N 1.318 120.872 119.800 -0.410 0.000 2.316 775 Q HA 0.220 4.568 4.340 0.013 0.000 0.235 775 Q C -0.075 175.835 176.000 -0.149 0.000 0.863 775 Q CA 0.398 56.099 55.803 -0.170 0.000 0.939 775 Q CB 0.657 29.347 28.738 -0.081 0.000 1.108 775 Q HN 0.491 nan 8.270 nan 0.000 0.522 776 L N 0.354 121.421 121.223 -0.260 0.000 2.354 776 L HA 0.404 4.752 4.340 0.013 0.000 0.269 776 L C 0.831 177.567 176.870 -0.223 0.000 1.005 776 L CA -0.421 54.291 54.840 -0.213 0.000 0.819 776 L CB 1.795 43.715 42.059 -0.231 0.000 1.311 776 L HN -0.075 nan 8.230 nan 0.000 0.423 777 L N 0.349 121.437 121.223 -0.226 0.000 2.425 777 L HA 0.157 4.505 4.340 0.013 0.000 0.215 777 L C 0.658 177.419 176.870 -0.182 0.000 1.065 777 L CA 0.538 55.254 54.840 -0.208 0.000 0.842 777 L CB 0.493 42.412 42.059 -0.233 0.000 1.033 777 L HN 0.771 nan 8.230 nan 0.000 0.474 778 T N -3.134 111.287 114.554 -0.222 0.000 2.909 778 T HA 0.537 4.895 4.350 0.013 0.000 0.299 778 T C -2.904 171.720 174.700 -0.126 0.000 1.073 778 T CA -2.096 59.920 62.100 -0.140 0.000 0.999 778 T CB 2.232 71.033 68.868 -0.111 0.000 1.098 778 T HN -0.312 nan 8.240 nan 0.000 0.477 779 P HA 0.269 nan 4.420 nan 0.000 0.272 779 P C -0.515 176.739 177.300 -0.076 0.000 1.230 779 P CA -0.759 62.305 63.100 -0.060 0.000 0.788 779 P CB 0.349 32.052 31.700 0.005 0.000 0.949 780 L N 3.208 124.416 121.223 -0.025 0.000 2.385 780 L HA 0.241 4.588 4.340 0.013 0.000 0.281 780 L C 0.251 177.056 176.870 -0.109 0.000 1.106 780 L CA 0.617 55.471 54.840 0.023 0.000 0.856 780 L CB -0.691 41.483 42.059 0.190 0.000 1.186 780 L HN 0.303 nan 8.230 nan 0.000 0.453 781 R N 2.654 122.994 120.500 -0.266 0.000 2.867 781 R HA 0.471 4.819 4.340 0.013 0.000 0.268 781 R C -0.989 175.145 176.300 -0.275 0.000 1.014 781 R CA -1.071 54.687 56.100 -0.571 0.000 0.946 781 R CB 1.277 31.138 30.300 -0.732 0.000 1.208 781 R HN 0.541 nan 8.270 nan 0.000 0.477 782 D N 1.027 121.315 120.400 -0.187 0.000 2.368 782 D HA 0.086 4.734 4.640 0.013 0.000 0.240 782 D C -0.391 175.512 176.300 -0.661 0.000 1.169 782 D CA 0.101 53.867 54.000 -0.389 0.000 0.906 782 D CB 0.636 41.133 40.800 -0.506 0.000 1.187 782 D HN 0.245 nan 8.370 nan 0.000 0.435 783 Q N 0.596 119.782 119.800 -1.023 0.000 2.284 783 Q HA 0.349 4.697 4.340 0.013 0.000 0.269 783 Q C -1.534 173.666 176.000 -1.332 0.000 1.026 783 Q CA -0.612 54.637 55.803 -0.923 0.000 0.831 783 Q CB 0.830 29.282 28.738 -0.477 0.000 1.322 783 Q HN 0.555 nan 8.270 nan 0.000 0.419 784 F N 0.989 120.550 119.950 -0.649 0.000 2.729 784 F HA 0.228 4.763 4.527 0.012 0.000 0.315 784 F C 0.426 175.786 175.800 -0.733 0.000 1.102 784 F CA -0.128 57.386 58.000 -0.811 0.000 1.204 784 F CB 1.625 39.843 39.000 -1.304 0.000 1.052 784 F HN 0.510 nan 8.300 nan 0.000 0.551 785 T N -0.984 113.256 114.554 -0.523 0.000 2.887 785 T HA 0.780 5.138 4.350 0.013 0.000 0.292 785 T C -0.609 173.830 174.700 -0.435 0.000 1.087 785 T CA -1.005 60.707 62.100 -0.647 0.000 1.009 785 T CB 2.795 71.184 68.868 -0.798 0.000 1.203 785 T HN 0.247 nan 8.240 nan 0.000 0.518 786 R N -0.144 120.138 120.500 -0.362 0.000 2.795 786 R HA 0.780 5.128 4.340 0.013 0.000 0.275 786 R C -0.766 175.599 176.300 0.108 0.000 0.981 786 R CA -1.229 54.802 56.100 -0.115 0.000 0.917 786 R CB 1.566 31.801 30.300 -0.108 0.000 1.202 786 R HN 0.815 nan 8.270 nan 0.000 0.469 787 A N 3.658 126.521 122.820 0.073 0.000 2.473 787 A HA 0.262 4.589 4.320 0.013 0.000 0.282 787 A C -1.944 175.711 177.584 0.118 0.000 1.163 787 A CA -1.310 50.769 52.037 0.071 0.000 0.827 787 A CB -0.576 18.408 19.000 -0.027 0.000 1.098 787 A HN 0.572 nan 8.150 nan 0.000 0.515 788 P HA 0.035 nan 4.420 nan 0.000 0.264 788 P C -0.113 177.313 177.300 0.211 0.000 1.183 788 P CA 0.429 63.700 63.100 0.285 0.000 0.763 788 P CB 0.441 32.347 31.700 0.344 0.000 0.807 789 L N 2.393 123.708 121.223 0.153 0.000 2.475 789 L HA 0.133 4.481 4.340 0.013 0.000 0.253 789 L C 1.874 178.778 176.870 0.057 0.000 1.198 789 L CA -0.371 54.501 54.840 0.053 0.000 0.814 789 L CB -0.071 41.949 42.059 -0.065 0.000 1.134 789 L HN 0.313 nan 8.230 nan 0.000 0.478 790 D N 0.339 120.707 120.400 -0.053 0.000 2.149 790 D HA -0.154 4.493 4.640 0.013 0.000 0.198 790 D C 1.602 177.839 176.300 -0.105 0.000 0.990 790 D CA 1.330 55.208 54.000 -0.205 0.000 0.839 790 D CB 0.060 40.664 40.800 -0.326 0.000 0.948 790 D HN 0.455 nan 8.370 nan 0.000 0.460 791 N N 0.887 119.547 118.700 -0.067 0.000 2.331 791 N HA -0.098 4.649 4.740 0.013 0.000 0.180 791 N C 1.152 176.687 175.510 0.041 0.000 1.019 791 N CA 0.627 53.665 53.050 -0.020 0.000 0.881 791 N CB -0.118 38.345 38.487 -0.039 0.000 0.972 791 N HN 0.232 nan 8.380 nan 0.000 0.435 792 D N 0.432 120.871 120.400 0.065 0.000 2.183 792 D HA 0.040 4.688 4.640 0.013 0.000 0.203 792 D C 1.978 178.331 176.300 0.089 0.000 0.969 792 D CA 0.441 54.514 54.000 0.122 0.000 0.842 792 D CB 0.139 41.088 40.800 0.248 0.000 0.957 792 D HN 0.305 nan 8.370 nan 0.000 0.484 793 I N 0.203 120.814 120.570 0.068 0.000 2.400 793 I HA 0.039 4.217 4.170 0.013 0.000 0.248 793 I C 1.838 177.983 176.117 0.047 0.000 1.109 793 I CA 0.599 61.925 61.300 0.043 0.000 1.425 793 I CB -0.369 37.633 38.000 0.003 0.000 1.094 793 I HN 0.051 nan 8.210 nan 0.000 0.425 794 G N 1.466 110.312 108.800 0.077 0.000 2.611 794 G HA2 -0.367 3.600 3.960 0.013 0.000 0.301 794 G HA3 -0.367 3.600 3.960 0.013 0.000 0.301 794 G C 0.742 175.784 174.900 0.236 0.000 1.233 794 G CA 0.976 46.178 45.100 0.168 0.000 0.993 794 G HN 0.538 nan 8.290 nan 0.000 0.553 795 V N -1.794 118.200 119.914 0.133 0.000 3.633 795 V HA 0.600 4.728 4.120 0.013 0.000 0.283 795 V C 1.309 177.408 176.094 0.009 0.000 1.305 795 V CA 1.250 63.571 62.300 0.036 0.000 1.153 795 V CB -0.004 31.746 31.823 -0.121 0.000 0.950 795 V HN 1.239 nan 8.190 nan 0.000 0.432 796 S N 1.034 116.745 115.700 0.019 0.000 2.558 796 S HA 0.271 4.749 4.470 0.013 0.000 0.288 796 S C -0.106 174.499 174.600 0.008 0.000 1.318 796 S CA 0.233 58.432 58.200 -0.001 0.000 1.056 796 S CB 0.426 63.622 63.200 -0.006 0.000 0.853 796 S HN 0.851 nan 8.310 nan 0.000 0.505 797 E N 1.241 121.441 120.200 -0.001 0.000 2.408 797 E HA 0.637 4.995 4.350 0.013 0.000 0.275 797 E C 0.530 177.135 176.600 0.009 0.000 0.935 797 E CA -0.265 56.140 56.400 0.009 0.000 0.775 797 E CB 1.390 31.091 29.700 0.002 0.000 1.277 797 E HN 0.575 nan 8.360 nan 0.000 0.455 798 A N 0.802 123.634 122.820 0.020 0.000 1.892 798 A HA -0.220 4.107 4.320 0.013 0.000 0.218 798 A C 2.027 179.618 177.584 0.013 0.000 1.188 798 A CA 2.716 54.765 52.037 0.020 0.000 0.631 798 A CB -1.043 17.975 19.000 0.031 0.000 0.822 798 A HN 0.651 nan 8.150 nan 0.000 0.447 799 T N -3.263 111.298 114.554 0.010 0.000 3.054 799 T HA 0.088 4.445 4.350 0.013 0.000 0.259 799 T C 0.911 175.607 174.700 -0.007 0.000 1.092 799 T CA 0.939 63.041 62.100 0.004 0.000 1.121 799 T CB -0.080 68.791 68.868 0.006 0.000 0.912 799 T HN 0.381 nan 8.240 nan 0.000 0.489 800 R N 1.102 121.595 120.500 -0.012 0.000 2.734 800 R HA 0.376 4.724 4.340 0.013 0.000 0.268 800 R C -1.110 175.175 176.300 -0.025 0.000 1.785 800 R CA -0.639 55.447 56.100 -0.024 0.000 1.461 800 R CB -0.017 30.261 30.300 -0.037 0.000 1.308 800 R HN 0.202 nan 8.270 nan 0.000 0.586 801 I N 2.120 122.677 120.570 -0.021 0.000 2.618 801 I HA 0.025 4.203 4.170 0.013 0.000 0.284 801 I C 0.247 176.342 176.117 -0.036 0.000 1.146 801 I CA 0.268 61.554 61.300 -0.023 0.000 1.425 801 I CB 0.889 38.877 38.000 -0.019 0.000 1.383 801 I HN 0.567 nan 8.210 nan 0.000 0.562 802 D N 9.525 129.900 120.400 -0.042 0.000 2.473 802 D HA 0.274 4.922 4.640 0.013 0.000 0.226 802 D C -1.656 174.597 176.300 -0.078 0.000 1.089 802 D CA -2.234 51.732 54.000 -0.057 0.000 0.883 802 D CB 1.348 42.117 40.800 -0.052 0.000 1.029 802 D HN 0.182 nan 8.370 nan 0.000 0.517 803 P HA -0.120 nan 4.420 nan 0.000 0.226 803 P C 0.768 177.974 177.300 -0.157 0.000 1.146 803 P CA 0.712 63.751 63.100 -0.102 0.000 0.773 803 P CB 0.298 31.947 31.700 -0.086 0.000 0.772 804 N N -0.350 118.252 118.700 -0.163 0.000 2.353 804 N HA 0.088 4.836 4.740 0.013 0.000 0.185 804 N C 0.364 175.683 175.510 -0.319 0.000 1.098 804 N CA -0.075 52.833 53.050 -0.237 0.000 0.872 804 N CB -0.321 38.056 38.487 -0.183 0.000 0.970 804 N HN -0.066 nan 8.380 nan 0.000 0.467 805 A N -0.413 122.267 122.820 -0.234 0.000 2.445 805 A HA 0.123 4.450 4.320 0.013 0.000 0.242 805 A C 0.684 178.047 177.584 -0.368 0.000 1.075 805 A CA -0.391 51.502 52.037 -0.239 0.000 0.777 805 A CB -0.121 18.816 19.000 -0.105 0.000 1.013 805 A HN 0.526 nan 8.150 nan 0.000 0.493 806 W N 1.560 122.607 121.300 -0.421 0.000 2.302 806 W HA -0.212 4.455 4.660 0.012 0.000 0.320 806 W C 2.274 178.199 176.519 -0.989 0.000 1.241 806 W CA 1.956 58.782 57.345 -0.865 0.000 1.264 806 W CB -0.507 28.300 29.460 -1.089 0.000 1.154 806 W HN 0.553 nan 8.180 nan 0.000 0.483 807 V N 0.847 120.624 119.914 -0.228 0.000 2.380 807 V HA -0.289 3.838 4.120 0.013 0.000 0.251 807 V C 2.166 178.330 176.094 0.117 0.000 1.063 807 V CA 2.250 64.637 62.300 0.144 0.000 1.055 807 V CB -0.363 31.587 31.823 0.212 0.000 0.657 807 V HN 0.107 nan 8.190 nan 0.000 0.455 808 E N -0.137 120.038 120.200 -0.041 0.000 2.072 808 E HA -0.142 4.215 4.350 0.013 0.000 0.190 808 E C 2.366 178.921 176.600 -0.074 0.000 0.982 808 E CA 1.045 57.421 56.400 -0.040 0.000 0.803 808 E CB -0.346 29.310 29.700 -0.074 0.000 0.755 808 E HN 0.614 nan 8.360 nan 0.000 0.453 809 R N -0.085 120.289 120.500 -0.211 0.000 2.081 809 R HA -0.126 4.222 4.340 0.013 0.000 0.235 809 R C 2.292 178.523 176.300 -0.115 0.000 1.131 809 R CA 1.381 57.336 56.100 -0.240 0.000 0.960 809 R CB -0.194 29.828 30.300 -0.465 0.000 0.856 809 R HN 0.271 nan 8.270 nan 0.000 0.436 810 W N 1.247 122.526 121.300 -0.036 0.000 2.388 810 W HA -0.063 4.605 4.660 0.013 0.000 0.294 810 W C 1.902 178.426 176.519 0.008 0.000 1.212 810 W CA 0.618 57.862 57.345 -0.169 0.000 1.271 810 W CB -0.573 28.915 29.460 0.046 0.000 1.126 810 W HN 0.111 nan 8.180 nan 0.000 0.535 811 K N 0.278 120.903 120.400 0.374 0.000 2.025 811 K HA -0.064 4.263 4.320 0.013 0.000 0.207 811 K C 2.318 178.982 176.600 0.106 0.000 1.049 811 K CA 1.757 58.211 56.287 0.279 0.000 0.933 811 K CB -0.550 32.042 32.500 0.153 0.000 0.714 811 K HN -0.036 nan 8.250 nan 0.000 0.438 812 A N 0.987 123.836 122.820 0.048 0.000 2.015 812 A HA -0.023 4.305 4.320 0.013 0.000 0.219 812 A C 2.164 179.736 177.584 -0.019 0.000 1.163 812 A CA 1.595 53.640 52.037 0.013 0.000 0.646 812 A CB -0.462 18.534 19.000 -0.005 0.000 0.806 812 A HN 0.319 nan 8.150 nan 0.000 0.448 813 A N -1.821 120.968 122.820 -0.051 0.000 2.208 813 A HA 0.400 4.728 4.320 0.013 0.000 0.209 813 A C 1.804 179.301 177.584 -0.145 0.000 1.161 813 A CA 1.233 53.242 52.037 -0.046 0.000 0.782 813 A CB -0.806 18.152 19.000 -0.071 0.000 0.816 813 A HN 1.823 nan 8.150 nan 0.000 0.477 814 G N -1.566 107.078 108.800 -0.261 0.000 2.141 814 G HA2 -0.305 3.663 3.960 0.013 0.000 0.242 814 G HA3 -0.305 3.663 3.960 0.013 0.000 0.242 814 G C 0.602 175.497 174.900 -0.010 0.000 0.982 814 G CA 0.664 45.407 45.100 -0.594 0.000 0.662 814 G HN 0.743 nan 8.290 nan 0.000 0.527 815 H N -1.375 117.696 119.070 0.001 0.000 2.387 815 H HA -0.108 4.455 4.556 0.013 0.000 0.299 815 H C 2.130 177.463 175.328 0.008 0.000 1.099 815 H CA 1.630 57.700 56.048 0.037 0.000 1.315 815 H CB 0.054 29.793 29.762 -0.038 0.000 1.380 815 H HN 0.604 nan 8.280 nan 0.000 0.513 816 Y N 0.931 121.362 120.300 0.218 0.000 2.544 816 Y HA -0.068 4.489 4.550 0.012 0.000 0.286 816 Y C 2.054 178.046 175.900 0.153 0.000 1.141 816 Y CA 0.432 58.624 58.100 0.154 0.000 1.299 816 Y CB 0.377 38.909 38.460 0.121 0.000 1.030 816 Y HN 0.364 nan 8.280 nan 0.000 0.543 817 Q N -0.395 119.577 119.800 0.287 0.000 2.171 817 Q HA 0.401 4.748 4.340 0.013 0.000 0.218 817 Q C 0.427 176.616 176.000 0.315 0.000 0.822 817 Q CA -0.088 55.880 55.803 0.275 0.000 0.987 817 Q CB 0.280 29.170 28.738 0.254 0.000 1.144 817 Q HN 0.178 nan 8.270 nan 0.000 0.494 818 A N 1.947 124.974 122.820 0.344 0.000 2.498 818 A HA 0.150 4.477 4.320 0.013 0.000 0.239 818 A C -0.036 177.826 177.584 0.463 0.000 1.068 818 A CA 0.164 52.456 52.037 0.425 0.000 0.766 818 A CB 0.268 19.551 19.000 0.471 0.000 1.003 818 A HN 0.286 nan 8.150 nan 0.000 0.497 819 E N 0.913 121.310 120.200 0.329 0.000 2.183 819 E HA 0.485 4.842 4.350 0.013 0.000 0.271 819 E C -0.408 176.162 176.600 -0.050 0.000 0.919 819 E CA -0.624 55.899 56.400 0.205 0.000 0.781 819 E CB 1.982 31.765 29.700 0.138 0.000 1.140 819 E HN 0.732 nan 8.360 nan 0.000 0.402 820 A N 2.094 124.771 122.820 -0.239 0.000 2.404 820 A HA 0.487 4.815 4.320 0.013 0.000 0.273 820 A C -0.030 177.405 177.584 -0.248 0.000 1.144 820 A CA -0.178 51.417 52.037 -0.736 0.000 0.806 820 A CB 0.202 18.898 19.000 -0.506 0.000 1.080 820 A HN 0.595 nan 8.150 nan 0.000 0.509 821 A N 2.784 125.455 122.820 -0.249 0.000 2.292 821 A HA 0.591 4.919 4.320 0.013 0.000 0.319 821 A C -0.334 177.158 177.584 -0.154 0.000 1.206 821 A CA -0.569 51.396 52.037 -0.120 0.000 0.835 821 A CB 0.473 19.421 19.000 -0.086 0.000 1.164 821 A HN 1.127 nan 8.150 nan 0.000 0.505 822 L N 2.995 124.109 121.223 -0.181 0.000 2.360 822 L HA 0.312 4.659 4.340 0.013 0.000 0.276 822 L C 0.503 177.228 176.870 -0.242 0.000 1.121 822 L CA 0.272 54.896 54.840 -0.360 0.000 0.845 822 L CB 0.307 42.175 42.059 -0.318 0.000 1.143 822 L HN 0.763 nan 8.230 nan 0.000 0.452 823 L N 3.569 124.641 121.223 -0.251 0.000 2.515 823 L HA 0.315 4.663 4.340 0.013 0.000 0.223 823 L C 0.439 177.240 176.870 -0.115 0.000 1.079 823 L CA 0.041 54.803 54.840 -0.130 0.000 0.857 823 L CB 0.013 42.030 42.059 -0.070 0.000 1.050 823 L HN 0.725 nan 8.230 nan 0.000 0.476 824 Q N -0.287 119.416 119.800 -0.163 0.000 2.617 824 Q HA 0.249 4.597 4.340 0.013 0.000 0.270 824 Q C -2.232 173.713 176.000 -0.092 0.000 0.967 824 Q CA -0.492 55.255 55.803 -0.093 0.000 0.887 824 Q CB 2.717 31.433 28.738 -0.037 0.000 1.516 824 Q HN 0.026 nan 8.270 nan 0.000 0.395 825 C N 2.910 122.199 119.300 -0.020 0.000 2.705 825 C HA 0.812 5.280 4.460 0.013 0.000 0.369 825 C C -1.013 174.088 174.990 0.185 0.000 1.069 825 C CA 0.594 59.647 59.018 0.058 0.000 1.260 825 C CB 0.742 28.487 27.740 0.007 0.000 1.764 825 C HN 0.830 nan 8.230 nan 0.000 0.469 826 T N 2.516 117.165 114.554 0.158 0.000 2.896 826 T HA 0.886 5.244 4.350 0.013 0.000 0.297 826 T C -0.593 173.971 174.700 -0.227 0.000 1.108 826 T CA -0.315 61.840 62.100 0.092 0.000 1.004 826 T CB 1.863 70.733 68.868 0.003 0.000 1.159 826 T HN 1.665 nan 8.240 nan 0.000 0.499 827 A N 1.695 124.129 122.820 -0.643 0.000 2.355 827 A HA 0.780 5.107 4.320 0.013 0.000 0.317 827 A C -1.119 176.179 177.584 -0.475 0.000 1.094 827 A CA -0.694 50.791 52.037 -0.921 0.000 0.764 827 A CB 1.076 18.905 19.000 -1.952 0.000 1.230 827 A HN 0.873 nan 8.150 nan 0.000 0.448 828 D N 1.050 121.246 120.400 -0.340 0.000 2.857 828 D HA 0.414 5.061 4.640 0.013 0.000 0.227 828 D C -1.021 175.170 176.300 -0.182 0.000 1.192 828 D CA -0.046 53.828 54.000 -0.210 0.000 0.857 828 D CB 2.342 43.056 40.800 -0.144 0.000 1.645 828 D HN 0.403 nan 8.370 nan 0.000 0.482 829 T N 1.894 116.363 114.554 -0.142 0.000 2.799 829 T HA 0.501 4.859 4.350 0.013 0.000 0.286 829 T C 0.596 175.241 174.700 -0.092 0.000 0.973 829 T CA -0.416 61.612 62.100 -0.119 0.000 1.035 829 T CB 0.927 69.727 68.868 -0.112 0.000 0.932 829 T HN 0.104 nan 8.240 nan 0.000 0.469 830 L N 1.346 122.520 121.223 -0.082 0.000 2.421 830 L HA 0.620 4.968 4.340 0.013 0.000 0.267 830 L C 1.957 178.795 176.870 -0.053 0.000 1.036 830 L CA -1.222 53.581 54.840 -0.063 0.000 0.829 830 L CB 0.346 42.369 42.059 -0.059 0.000 1.437 830 L HN 0.697 nan 8.230 nan 0.000 0.488 831 A N 0.427 123.222 122.820 -0.041 0.000 1.877 831 A HA -0.160 4.168 4.320 0.013 0.000 0.216 831 A C 1.060 178.625 177.584 -0.031 0.000 1.186 831 A CA 2.062 54.079 52.037 -0.034 0.000 0.620 831 A CB -0.454 18.530 19.000 -0.027 0.000 0.822 831 A HN 0.888 nan 8.150 nan 0.000 0.443 832 D N -2.420 117.961 120.400 -0.032 0.000 2.599 832 D HA 0.564 5.211 4.640 0.013 0.000 0.249 832 D C -0.065 176.215 176.300 -0.032 0.000 1.313 832 D CA 0.649 54.632 54.000 -0.028 0.000 0.815 832 D CB -0.184 40.599 40.800 -0.028 0.000 1.077 832 D HN 0.497 nan 8.370 nan 0.000 0.492 833 A N -0.611 122.181 122.820 -0.046 0.000 2.564 833 A HA 0.617 4.944 4.320 0.013 0.000 0.291 833 A C -1.757 175.775 177.584 -0.087 0.000 1.102 833 A CA -0.709 51.288 52.037 -0.066 0.000 0.660 833 A CB 1.416 20.375 19.000 -0.069 0.000 1.283 833 A HN 0.013 nan 8.150 nan 0.000 0.430 834 V N 0.650 120.493 119.914 -0.118 0.000 2.459 834 V HA 0.647 4.775 4.120 0.013 0.000 0.295 834 V C -0.830 175.157 176.094 -0.179 0.000 1.029 834 V CA -0.435 61.775 62.300 -0.151 0.000 0.874 834 V CB 1.316 33.049 31.823 -0.151 0.000 0.985 834 V HN 0.887 nan 8.190 nan 0.000 0.438 835 L N 6.344 127.453 121.223 -0.190 0.000 2.333 835 L HA 0.680 5.028 4.340 0.013 0.000 0.280 835 L C -0.885 175.839 176.870 -0.244 0.000 1.004 835 L CA 0.018 54.755 54.840 -0.172 0.000 0.820 835 L CB 1.332 43.322 42.059 -0.115 0.000 1.247 835 L HN 0.427 nan 8.230 nan 0.000 0.416 836 I N 3.913 124.340 120.570 -0.237 0.000 2.474 836 I HA 0.455 4.633 4.170 0.013 0.000 0.294 836 I C -0.205 175.887 176.117 -0.041 0.000 1.005 836 I CA -0.313 60.800 61.300 -0.313 0.000 1.113 836 I CB 1.774 39.335 38.000 -0.731 0.000 1.289 836 I HN 0.565 nan 8.210 nan 0.000 0.436 837 T N 4.465 119.004 114.554 -0.024 0.000 2.824 837 T HA 0.639 4.996 4.350 0.013 0.000 0.282 837 T C 0.025 174.787 174.700 0.104 0.000 0.993 837 T CA -0.496 61.644 62.100 0.067 0.000 0.967 837 T CB 1.815 70.691 68.868 0.013 0.000 0.960 837 T HN 0.806 nan 8.240 nan 0.000 0.441 838 T N -0.307 114.353 114.554 0.176 0.000 2.896 838 T HA 0.887 5.245 4.350 0.013 0.000 0.297 838 T C -1.157 173.623 174.700 0.133 0.000 1.108 838 T CA -1.025 61.161 62.100 0.143 0.000 1.004 838 T CB 2.020 71.040 68.868 0.254 0.000 1.159 838 T HN 0.762 nan 8.240 nan 0.000 0.499 839 A N 1.392 124.221 122.820 0.016 0.000 2.455 839 A HA 0.791 5.118 4.320 0.013 0.000 0.300 839 A C -1.454 176.078 177.584 -0.087 0.000 1.040 839 A CA -0.765 51.315 52.037 0.071 0.000 0.697 839 A CB 1.001 20.030 19.000 0.048 0.000 1.265 839 A HN 1.011 nan 8.150 nan 0.000 0.407 840 H N -0.176 118.949 119.070 0.092 0.000 2.895 840 H HA 0.766 5.330 4.556 0.013 0.000 0.373 840 H C -0.123 175.196 175.328 -0.016 0.000 1.174 840 H CA 0.319 56.317 56.048 -0.083 0.000 1.144 840 H CB 2.163 31.748 29.762 -0.294 0.000 1.793 840 H HN 1.007 nan 8.280 nan 0.000 0.551 841 A N 1.862 124.663 122.820 -0.032 0.000 2.355 841 A HA 0.440 4.768 4.320 0.013 0.000 0.317 841 A C -1.336 176.216 177.584 -0.053 0.000 1.094 841 A CA -0.703 51.388 52.037 0.088 0.000 0.764 841 A CB 1.128 20.166 19.000 0.062 0.000 1.230 841 A HN 0.574 nan 8.150 nan 0.000 0.448 842 W N 1.964 123.371 121.300 0.178 0.000 2.349 842 W HA 0.451 5.119 4.660 0.013 0.000 0.309 842 W C -0.370 176.172 176.519 0.037 0.000 1.083 842 W CA -0.093 57.353 57.345 0.167 0.000 1.224 842 W CB 1.654 31.286 29.460 0.286 0.000 1.256 842 W HN 0.787 nan 8.180 nan 0.000 0.461 843 Q N 1.328 121.248 119.800 0.199 0.000 2.484 843 Q HA 0.434 4.782 4.340 0.013 0.000 0.285 843 Q C -0.897 175.231 176.000 0.213 0.000 1.097 843 Q CA -0.884 55.003 55.803 0.139 0.000 0.802 843 Q CB 3.589 32.371 28.738 0.073 0.000 1.444 843 Q HN 0.378 nan 8.270 nan 0.000 0.429 844 H N 1.496 120.598 119.070 0.053 0.000 3.096 844 H HA 0.065 4.629 4.556 0.013 0.000 0.335 844 H C -0.799 174.560 175.328 0.052 0.000 0.990 844 H CA -0.117 55.974 56.048 0.072 0.000 1.393 844 H CB 1.004 30.820 29.762 0.091 0.000 1.742 844 H HN 0.771 nan 8.280 nan 0.000 0.501 845 Q N 3.290 122.848 119.800 -0.403 0.000 2.461 845 Q HA -0.226 4.122 4.340 0.013 0.000 0.273 845 Q C 0.940 176.879 176.000 -0.101 0.000 1.163 845 Q CA 1.422 57.047 55.803 -0.296 0.000 0.929 845 Q CB -1.772 26.726 28.738 -0.400 0.000 1.334 845 Q HN 1.173 nan 8.270 nan 0.000 0.499 846 G N -0.482 108.291 108.800 -0.045 0.000 2.213 846 G HA2 -0.321 3.647 3.960 0.013 0.000 0.236 846 G HA3 -0.321 3.647 3.960 0.013 0.000 0.236 846 G C 0.034 174.941 174.900 0.011 0.000 0.991 846 G CA 0.384 45.477 45.100 -0.011 0.000 0.629 846 G HN 0.334 nan 8.290 nan 0.000 0.517 847 K N 1.742 122.160 120.400 0.029 0.000 2.213 847 K HA 0.645 4.972 4.320 0.013 0.000 0.270 847 K C -0.025 176.589 176.600 0.024 0.000 1.002 847 K CA -0.142 56.165 56.287 0.034 0.000 0.868 847 K CB 0.940 33.472 32.500 0.053 0.000 1.093 847 K HN -0.004 nan 8.250 nan 0.000 0.454 848 T N 6.240 120.799 114.554 0.008 0.000 2.727 848 T HA 0.192 4.549 4.350 0.013 0.000 0.295 848 T C 1.114 175.759 174.700 -0.091 0.000 0.915 848 T CA -0.329 61.771 62.100 -0.000 0.000 1.066 848 T CB 0.296 69.182 68.868 0.030 0.000 0.891 848 T HN 0.546 nan 8.240 nan 0.000 0.516 849 L N 2.533 123.615 121.223 -0.235 0.000 2.168 849 L HA 0.326 4.673 4.340 0.013 0.000 0.203 849 L C -0.042 176.335 176.870 -0.822 0.000 1.078 849 L CA 0.918 55.344 54.840 -0.690 0.000 0.780 849 L CB 0.036 41.314 42.059 -1.302 0.000 0.939 849 L HN 0.528 nan 8.230 nan 0.000 0.451 850 F N -1.200 118.717 119.950 -0.055 0.000 2.631 850 F HA 0.553 5.087 4.527 0.012 0.000 0.308 850 F C -0.549 175.361 175.800 0.184 0.000 1.097 850 F CA -0.828 57.095 58.000 -0.128 0.000 0.952 850 F CB 1.989 40.557 39.000 -0.720 0.000 1.307 850 F HN -0.338 nan 8.300 nan 0.000 0.450 851 I N 1.630 122.437 120.570 0.394 0.000 2.466 851 I HA 0.366 4.544 4.170 0.013 0.000 0.289 851 I C -0.785 175.610 176.117 0.463 0.000 1.026 851 I CA -0.566 60.988 61.300 0.423 0.000 1.078 851 I CB 2.173 40.329 38.000 0.260 0.000 1.249 851 I HN 0.546 nan 8.210 nan 0.000 0.429 852 S N 7.162 123.251 115.700 0.647 0.000 2.498 852 S HA 0.588 5.066 4.470 0.013 0.000 0.317 852 S C -0.664 174.201 174.600 0.441 0.000 1.090 852 S CA -0.690 57.858 58.200 0.581 0.000 1.089 852 S CB 0.600 64.251 63.200 0.751 0.000 0.997 852 S HN 0.575 nan 8.310 nan 0.000 0.470 853 R N 3.606 124.283 120.500 0.295 0.000 2.534 853 R HA 0.605 4.953 4.340 0.013 0.000 0.301 853 R C -0.707 175.684 176.300 0.151 0.000 0.961 853 R CA -0.867 55.364 56.100 0.219 0.000 0.871 853 R CB 1.964 32.361 30.300 0.160 0.000 1.170 853 R HN 0.571 nan 8.270 nan 0.000 0.446 854 K N 0.621 121.107 120.400 0.142 0.000 2.439 854 K HA 0.515 4.843 4.320 0.013 0.000 0.260 854 K C -0.823 175.777 176.600 0.001 0.000 1.032 854 K CA -0.968 55.326 56.287 0.010 0.000 0.882 854 K CB 2.467 34.928 32.500 -0.065 0.000 1.420 854 K HN 0.664 nan 8.250 nan 0.000 0.455 855 T N -1.444 113.030 114.554 -0.134 0.000 2.912 855 T HA 0.572 4.929 4.350 0.013 0.000 0.299 855 T C -1.387 173.205 174.700 -0.180 0.000 1.052 855 T CA -0.777 61.295 62.100 -0.047 0.000 0.996 855 T CB 0.527 69.387 68.868 -0.013 0.000 1.070 855 T HN 0.406 nan 8.240 nan 0.000 0.465 856 Y N 0.842 121.133 120.300 -0.015 0.000 2.331 856 Y HA 0.649 5.207 4.550 0.013 0.000 0.334 856 Y C 0.371 176.211 175.900 -0.100 0.000 0.960 856 Y CA -1.154 56.947 58.100 0.002 0.000 1.130 856 Y CB 1.888 40.395 38.460 0.078 0.000 1.164 856 Y HN 0.744 nan 8.280 nan 0.000 0.458 857 R N 4.589 125.120 120.500 0.052 0.000 2.371 857 R HA 0.631 4.978 4.340 0.013 0.000 0.312 857 R C -1.697 174.547 176.300 -0.093 0.000 0.980 857 R CA -0.285 55.792 56.100 -0.038 0.000 0.867 857 R CB 0.472 30.758 30.300 -0.024 0.000 1.163 857 R HN 0.786 nan 8.270 nan 0.000 0.492 858 I N 5.263 125.716 120.570 -0.195 0.000 2.336 858 I HA 0.230 4.408 4.170 0.013 0.000 0.292 858 I C -0.062 175.930 176.117 -0.208 0.000 0.991 858 I CA -0.630 60.471 61.300 -0.332 0.000 1.227 858 I CB 1.368 38.965 38.000 -0.672 0.000 1.366 858 I HN 0.720 nan 8.210 nan 0.000 0.466 859 D N 4.522 124.841 120.400 -0.134 0.000 2.650 859 D HA 0.204 4.852 4.640 0.013 0.000 0.255 859 D C 1.118 177.405 176.300 -0.022 0.000 1.135 859 D CA -0.602 53.358 54.000 -0.065 0.000 1.099 859 D CB 1.180 41.960 40.800 -0.035 0.000 1.273 859 D HN 0.506 nan 8.370 nan 0.000 0.628 860 G N -0.907 107.892 108.800 -0.002 0.000 2.527 860 G HA2 -0.187 3.781 3.960 0.013 0.000 0.219 860 G HA3 -0.187 3.781 3.960 0.013 0.000 0.219 860 G C 1.199 176.128 174.900 0.049 0.000 1.117 860 G CA 1.236 46.351 45.100 0.024 0.000 0.759 860 G HN 0.521 nan 8.290 nan 0.000 0.556 861 S N -1.508 114.221 115.700 0.048 0.000 2.535 861 S HA 0.398 4.876 4.470 0.013 0.000 0.214 861 S C 1.777 176.449 174.600 0.120 0.000 0.980 861 S CA 0.895 59.141 58.200 0.076 0.000 0.907 861 S CB 0.277 63.514 63.200 0.062 0.000 0.790 861 S HN 1.403 nan 8.310 nan 0.000 0.510 862 G N 0.880 109.764 108.800 0.141 0.000 2.176 862 G HA2 -0.203 3.764 3.960 0.013 0.000 0.232 862 G HA3 -0.203 3.764 3.960 0.013 0.000 0.232 862 G C -0.189 174.870 174.900 0.265 0.000 0.986 862 G CA -0.071 45.191 45.100 0.270 0.000 0.643 862 G HN 0.602 nan 8.290 nan 0.000 0.522 863 Q N -0.298 119.586 119.800 0.140 0.000 2.227 863 Q HA 0.683 5.031 4.340 0.013 0.000 0.245 863 Q C 0.040 176.069 176.000 0.049 0.000 0.926 863 Q CA -0.374 55.517 55.803 0.147 0.000 0.895 863 Q CB 1.710 30.520 28.738 0.121 0.000 1.230 863 Q HN 0.414 nan 8.270 nan 0.000 0.450 864 M N 1.555 121.227 119.600 0.120 0.000 2.085 864 M HA 0.505 4.992 4.480 0.013 0.000 0.309 864 M C -1.601 174.801 176.300 0.170 0.000 0.947 864 M CA -0.481 54.855 55.300 0.060 0.000 0.918 864 M CB 1.272 33.927 32.600 0.092 0.000 1.504 864 M HN 0.740 nan 8.290 nan 0.000 0.420 865 A N 6.769 129.652 122.820 0.105 0.000 2.260 865 A HA 0.672 4.999 4.320 0.013 0.000 0.308 865 A C -0.748 176.880 177.584 0.073 0.000 1.254 865 A CA -0.613 51.488 52.037 0.108 0.000 0.874 865 A CB 0.153 19.195 19.000 0.069 0.000 1.153 865 A HN 0.920 nan 8.150 nan 0.000 0.527 866 I N 2.604 123.210 120.570 0.060 0.000 2.321 866 I HA 0.289 4.467 4.170 0.013 0.000 0.291 866 I C -0.089 175.932 176.117 -0.161 0.000 0.998 866 I CA -0.071 61.170 61.300 -0.098 0.000 1.227 866 I CB 1.803 39.771 38.000 -0.054 0.000 1.368 866 I HN 0.490 nan 8.210 nan 0.000 0.466 867 T N 6.013 120.435 114.554 -0.220 0.000 2.779 867 T HA 0.537 4.894 4.350 0.013 0.000 0.280 867 T C -0.245 174.276 174.700 -0.299 0.000 0.987 867 T CA -0.445 61.529 62.100 -0.209 0.000 0.966 867 T CB 1.697 70.534 68.868 -0.052 0.000 0.933 867 T HN 0.199 nan 8.240 nan 0.000 0.442 868 V N 3.661 123.277 119.914 -0.498 0.000 2.604 868 V HA 0.523 4.650 4.120 0.013 0.000 0.305 868 V C -0.712 175.234 176.094 -0.247 0.000 1.043 868 V CA -0.951 61.095 62.300 -0.423 0.000 0.888 868 V CB 2.133 33.463 31.823 -0.822 0.000 0.995 868 V HN 0.842 nan 8.190 nan 0.000 0.429 869 D N 3.146 123.558 120.400 0.020 0.000 2.549 869 D HA 0.527 5.174 4.640 0.013 0.000 0.251 869 D C -1.066 175.362 176.300 0.213 0.000 1.153 869 D CA -0.122 53.979 54.000 0.168 0.000 0.861 869 D CB 2.752 43.677 40.800 0.207 0.000 1.207 869 D HN 0.250 nan 8.370 nan 0.000 0.543 870 V N 2.128 122.202 119.914 0.267 0.000 2.628 870 V HA 0.326 4.454 4.120 0.013 0.000 0.306 870 V C 0.017 176.265 176.094 0.257 0.000 1.045 870 V CA -0.723 61.750 62.300 0.289 0.000 0.905 870 V CB 2.530 34.553 31.823 0.333 0.000 0.997 870 V HN 0.369 nan 8.190 nan 0.000 0.436 871 E N 2.353 122.693 120.200 0.233 0.000 2.199 871 E HA 0.673 5.031 4.350 0.013 0.000 0.269 871 E C -1.572 175.159 176.600 0.218 0.000 0.899 871 E CA -0.649 55.868 56.400 0.196 0.000 0.772 871 E CB 2.659 32.454 29.700 0.158 0.000 1.155 871 E HN 0.407 nan 8.360 nan 0.000 0.408 872 V N 1.695 121.740 119.914 0.219 0.000 2.540 872 V HA 0.422 4.549 4.120 0.013 0.000 0.302 872 V C 0.042 176.236 176.094 0.167 0.000 1.035 872 V CA -1.036 61.415 62.300 0.251 0.000 0.873 872 V CB 1.601 33.611 31.823 0.312 0.000 0.992 872 V HN 0.845 nan 8.190 nan 0.000 0.428 873 A N 3.134 126.007 122.820 0.088 0.000 2.548 873 A HA 0.292 4.619 4.320 0.013 0.000 0.247 873 A C 1.623 179.281 177.584 0.124 0.000 1.067 873 A CA 0.624 52.700 52.037 0.066 0.000 0.757 873 A CB 0.234 19.231 19.000 -0.005 0.000 0.996 873 A HN 1.398 nan 8.150 nan 0.000 0.504 874 S N 1.361 117.132 115.700 0.118 0.000 2.419 874 S HA -0.169 4.309 4.470 0.013 0.000 0.233 874 S C 1.006 175.689 174.600 0.138 0.000 1.016 874 S CA 1.424 59.713 58.200 0.148 0.000 0.974 874 S CB -0.299 62.967 63.200 0.109 0.000 0.786 874 S HN 0.833 nan 8.310 nan 0.000 0.492 875 D N 0.308 120.762 120.400 0.090 0.000 2.339 875 D HA 0.116 4.764 4.640 0.013 0.000 0.217 875 D C 0.600 176.936 176.300 0.059 0.000 1.050 875 D CA 0.120 54.157 54.000 0.061 0.000 0.856 875 D CB -0.538 40.285 40.800 0.039 0.000 0.922 875 D HN 0.318 nan 8.370 nan 0.000 0.518 876 T N 1.649 116.262 114.554 0.099 0.000 2.909 876 T HA 0.352 4.710 4.350 0.013 0.000 0.286 876 T C -2.563 172.248 174.700 0.185 0.000 1.002 876 T CA -1.902 60.285 62.100 0.145 0.000 1.074 876 T CB 1.119 70.084 68.868 0.161 0.000 0.984 876 T HN -0.118 nan 8.240 nan 0.000 0.495 877 P HA 0.059 nan 4.420 nan 0.000 0.265 877 P C -0.576 177.032 177.300 0.513 0.000 1.193 877 P CA 0.101 63.299 63.100 0.162 0.000 0.765 877 P CB -0.053 31.735 31.700 0.147 0.000 0.823 878 H N 3.685 123.141 119.070 0.644 0.000 3.094 878 H HA 0.044 4.607 4.556 0.012 0.000 0.320 878 H C -1.571 174.131 175.328 0.623 0.000 1.000 878 H CA -1.186 55.180 56.048 0.530 0.000 1.413 878 H CB -0.567 29.430 29.762 0.391 0.000 1.405 878 H HN 0.379 nan 8.280 nan 0.000 0.586 879 P HA 0.020 nan 4.420 nan 0.000 0.276 879 P C 0.165 177.363 177.300 -0.170 0.000 1.244 879 P CA -0.321 62.852 63.100 0.121 0.000 0.801 879 P CB 1.058 32.677 31.700 -0.136 0.000 1.006 880 A N 2.801 125.228 122.820 -0.655 0.000 1.969 880 A HA -0.098 4.230 4.320 0.013 0.000 0.218 880 A C 1.041 178.240 177.584 -0.642 0.000 1.169 880 A CA 1.396 53.011 52.037 -0.703 0.000 0.635 880 A CB -0.543 17.838 19.000 -1.032 0.000 0.810 880 A HN 0.751 nan 8.150 nan 0.000 0.445 881 R N -3.135 117.029 120.500 -0.560 0.000 2.741 881 R HA 0.745 5.093 4.340 0.013 0.000 0.274 881 R C -1.619 174.431 176.300 -0.415 0.000 1.029 881 R CA -0.845 54.952 56.100 -0.505 0.000 0.880 881 R CB 0.819 30.805 30.300 -0.524 0.000 1.264 881 R HN -0.008 nan 8.270 nan 0.000 0.465 882 I N 0.803 121.155 120.570 -0.363 0.000 2.540 882 I HA 0.616 4.793 4.170 0.013 0.000 0.280 882 I C -0.604 175.268 176.117 -0.408 0.000 1.083 882 I CA -0.364 60.730 61.300 -0.344 0.000 1.080 882 I CB 1.807 39.675 38.000 -0.219 0.000 1.205 882 I HN 0.981 nan 8.210 nan 0.000 0.459 883 G N 5.892 114.383 108.800 -0.514 0.000 2.650 883 G HA2 0.732 4.700 3.960 0.013 0.000 0.310 883 G HA3 0.732 4.700 3.960 0.013 0.000 0.310 883 G C -1.781 172.932 174.900 -0.312 0.000 1.270 883 G CA -0.536 44.315 45.100 -0.415 0.000 0.810 883 G HN 0.273 nan 8.290 nan 0.000 0.493 884 L N 0.747 121.841 121.223 -0.216 0.000 2.309 884 L HA 0.671 5.019 4.340 0.013 0.000 0.261 884 L C -0.620 176.142 176.870 -0.179 0.000 1.021 884 L CA -1.109 53.636 54.840 -0.158 0.000 0.823 884 L CB 2.516 44.560 42.059 -0.025 0.000 1.366 884 L HN 0.823 nan 8.230 nan 0.000 0.423 885 N N 0.482 119.104 118.700 -0.129 0.000 2.825 885 N HA 0.699 5.446 4.740 0.013 0.000 0.253 885 N C -1.375 174.128 175.510 -0.011 0.000 1.426 885 N CA -0.458 52.548 53.050 -0.074 0.000 0.851 885 N CB 2.426 40.882 38.487 -0.052 0.000 1.470 885 N HN 0.883 nan 8.380 nan 0.000 0.517 886 C N -1.384 117.931 119.300 0.026 0.000 3.224 886 C HA 0.488 4.955 4.460 0.013 0.000 0.348 886 C C -1.371 173.437 174.990 -0.302 0.000 1.242 886 C CA -0.880 58.099 59.018 -0.065 0.000 1.180 886 C CB 0.722 28.453 27.740 -0.015 0.000 1.458 886 C HN 0.872 nan 8.230 nan 0.000 0.485 887 Q N 1.527 120.941 119.800 -0.643 0.000 2.340 887 Q HA 0.680 5.028 4.340 0.013 0.000 0.259 887 Q C -0.929 174.779 176.000 -0.486 0.000 0.964 887 Q CA -0.473 54.721 55.803 -1.016 0.000 0.900 887 Q CB 0.897 28.667 28.738 -1.614 0.000 1.228 887 Q HN 0.757 nan 8.270 nan 0.000 0.449 888 L N 2.739 123.774 121.223 -0.313 0.000 2.371 888 L HA 0.285 4.632 4.340 0.013 0.000 0.272 888 L C 1.242 178.048 176.870 -0.107 0.000 1.124 888 L CA -0.257 54.520 54.840 -0.105 0.000 0.816 888 L CB 0.890 42.996 42.059 0.079 0.000 1.129 888 L HN 0.822 nan 8.230 nan 0.000 0.448 889 A N 2.195 124.976 122.820 -0.065 0.000 1.972 889 A HA -0.148 4.180 4.320 0.013 0.000 0.219 889 A C 1.186 178.757 177.584 -0.021 0.000 1.169 889 A CA 0.826 52.821 52.037 -0.071 0.000 0.635 889 A CB -0.335 18.614 19.000 -0.083 0.000 0.810 889 A HN 0.809 nan 8.150 nan 0.000 0.446 890 Q N -0.207 119.620 119.800 0.046 0.000 2.373 890 Q HA 0.420 4.768 4.340 0.013 0.000 0.255 890 Q C -1.234 174.821 176.000 0.092 0.000 0.980 890 Q CA 0.080 55.909 55.803 0.043 0.000 0.882 890 Q CB 0.912 29.685 28.738 0.058 0.000 1.249 890 Q HN 0.129 nan 8.270 nan 0.000 0.438 891 V N 3.754 123.676 119.914 0.013 0.000 2.357 891 V HA 0.657 4.784 4.120 0.013 0.000 0.281 891 V C -0.493 175.570 176.094 -0.051 0.000 1.015 891 V CA -0.434 61.904 62.300 0.062 0.000 0.827 891 V CB 0.773 32.618 31.823 0.037 0.000 1.018 891 V HN 0.888 nan 8.190 nan 0.000 0.432 892 A N 3.149 125.862 122.820 -0.179 0.000 2.294 892 A HA 0.687 5.014 4.320 0.013 0.000 0.330 892 A C 0.768 178.352 177.584 0.001 0.000 1.133 892 A CA -0.455 51.407 52.037 -0.291 0.000 0.836 892 A CB 0.904 19.430 19.000 -0.791 0.000 1.190 892 A HN 0.806 nan 8.150 nan 0.000 0.492 893 E N -0.023 120.172 120.200 -0.007 0.000 2.285 893 E HA -0.023 4.335 4.350 0.013 0.000 0.194 893 E C 0.129 176.798 176.600 0.115 0.000 0.997 893 E CA 0.686 57.119 56.400 0.055 0.000 0.845 893 E CB 0.182 29.895 29.700 0.022 0.000 0.782 893 E HN 0.415 nan 8.360 nan 0.000 0.491 894 R N -0.097 120.485 120.500 0.137 0.000 2.836 894 R HA 0.510 4.858 4.340 0.013 0.000 0.269 894 R C -1.030 175.459 176.300 0.314 0.000 1.010 894 R CA -0.904 55.310 56.100 0.190 0.000 0.930 894 R CB 1.785 32.162 30.300 0.128 0.000 1.218 894 R HN -0.198 nan 8.270 nan 0.000 0.473 895 V N 1.724 121.828 119.914 0.318 0.000 2.483 895 V HA 0.384 4.511 4.120 0.013 0.000 0.297 895 V C -0.273 176.079 176.094 0.429 0.000 1.027 895 V CA -0.957 61.569 62.300 0.377 0.000 0.855 895 V CB 1.841 33.840 31.823 0.293 0.000 0.995 895 V HN 0.624 nan 8.190 nan 0.000 0.424 896 N N 4.459 123.380 118.700 0.368 0.000 2.342 896 N HA 0.541 5.289 4.740 0.013 0.000 0.293 896 N C -1.302 174.443 175.510 0.391 0.000 1.026 896 N CA -0.408 52.828 53.050 0.309 0.000 0.857 896 N CB 2.605 41.176 38.487 0.140 0.000 1.256 896 N HN 0.832 nan 8.380 nan 0.000 0.484 897 W N 3.390 124.717 121.300 0.044 0.000 3.118 897 W HA 0.572 5.240 4.660 0.012 0.000 0.328 897 W C -2.053 174.416 176.519 -0.083 0.000 1.239 897 W CA -1.112 56.230 57.345 -0.004 0.000 1.176 897 W CB 0.686 30.162 29.460 0.026 0.000 1.433 897 W HN 0.218 nan 8.180 nan 0.000 0.562 898 L N 4.364 125.532 121.223 -0.092 0.000 2.313 898 L HA 0.894 5.242 4.340 0.013 0.000 0.273 898 L C -0.028 176.601 176.870 -0.403 0.000 1.028 898 L CA 0.323 54.921 54.840 -0.403 0.000 0.871 898 L CB 0.519 42.436 42.059 -0.237 0.000 1.242 898 L HN 0.973 nan 8.230 nan 0.000 0.434 899 G N 3.500 111.929 108.800 -0.618 0.000 2.364 899 G HA2 0.217 4.184 3.960 0.013 0.000 0.286 899 G HA3 0.217 4.184 3.960 0.013 0.000 0.286 899 G C -1.538 173.327 174.900 -0.058 0.000 1.241 899 G CA -1.038 43.877 45.100 -0.308 0.000 0.887 899 G HN 0.370 nan 8.290 nan 0.000 0.484 900 L N 1.074 122.425 121.223 0.213 0.000 2.416 900 L HA 0.568 4.915 4.340 0.013 0.000 0.272 900 L C 1.104 178.065 176.870 0.153 0.000 1.161 900 L CA 0.955 55.906 54.840 0.185 0.000 0.845 900 L CB 0.545 42.668 42.059 0.108 0.000 1.119 900 L HN 1.188 nan 8.230 nan 0.000 0.464 901 G N 2.848 111.508 108.800 -0.233 0.000 2.348 901 G HA2 0.211 4.178 3.960 0.013 0.000 0.296 901 G HA3 0.211 4.178 3.960 0.013 0.000 0.296 901 G C -2.761 171.288 174.900 -1.418 0.000 1.258 901 G CA -0.276 44.386 45.100 -0.730 0.000 0.868 901 G HN 0.309 nan 8.290 nan 0.000 0.488 902 P HA 0.094 nan 4.420 nan 0.000 0.230 902 P C 0.524 177.633 177.300 -0.319 0.000 1.168 902 P CA 0.618 63.078 63.100 -1.066 0.000 0.793 902 P CB 0.400 31.598 31.700 -0.836 0.000 0.851 903 Q N 0.509 120.110 119.800 -0.333 0.000 2.382 903 Q HA 0.137 4.485 4.340 0.013 0.000 0.229 903 Q C 0.414 176.298 176.000 -0.193 0.000 1.006 903 Q CA -0.555 55.128 55.803 -0.199 0.000 0.916 903 Q CB 0.620 29.262 28.738 -0.161 0.000 1.235 903 Q HN 0.138 nan 8.270 nan 0.000 0.512 904 E N 1.338 121.429 120.200 -0.182 0.000 2.502 904 E HA -0.110 4.248 4.350 0.013 0.000 0.261 904 E C -1.152 175.358 176.600 -0.149 0.000 0.974 904 E CA 0.281 56.557 56.400 -0.206 0.000 0.936 904 E CB 0.241 29.888 29.700 -0.090 0.000 0.926 904 E HN 0.599 nan 8.360 nan 0.000 0.459 905 N N 2.710 121.251 118.700 -0.265 0.000 2.367 905 N HA 0.308 5.055 4.740 0.013 0.000 0.278 905 N C -1.858 173.460 175.510 -0.321 0.000 1.117 905 N CA -0.682 52.277 53.050 -0.151 0.000 0.867 905 N CB 0.705 39.118 38.487 -0.124 0.000 1.649 905 N HN 0.245 nan 8.380 nan 0.000 0.479 906 Y N 0.173 120.382 120.300 -0.152 0.000 2.630 906 Y HA 0.513 5.070 4.550 0.013 0.000 0.337 906 Y C -1.596 174.228 175.900 -0.127 0.000 1.051 906 Y CA -2.040 55.955 58.100 -0.174 0.000 1.121 906 Y CB 1.769 40.124 38.460 -0.175 0.000 1.299 906 Y HN 0.441 nan 8.280 nan 0.000 0.498 907 P HA -0.187 nan 4.420 nan 0.000 0.216 907 P C 0.301 177.456 177.300 -0.241 0.000 1.154 907 P CA 2.215 65.350 63.100 0.058 0.000 0.865 907 P CB 0.172 32.029 31.700 0.262 0.000 0.789 908 D N -2.385 117.645 120.400 -0.616 0.000 2.342 908 D HA 0.009 4.657 4.640 0.013 0.000 0.221 908 D C 0.716 176.845 176.300 -0.285 0.000 1.101 908 D CA 0.118 53.533 54.000 -0.976 0.000 0.837 908 D CB -0.324 39.743 40.800 -1.221 0.000 0.938 908 D HN 0.130 nan 8.370 nan 0.000 0.508 909 R N 1.110 121.551 120.500 -0.099 0.000 2.684 909 R HA 0.196 4.544 4.340 0.013 0.000 0.252 909 R C -0.711 175.618 176.300 0.049 0.000 1.628 909 R CA -0.187 55.925 56.100 0.019 0.000 1.622 909 R CB 0.049 30.365 30.300 0.028 0.000 1.418 909 R HN 0.112 nan 8.270 nan 0.000 0.697 910 L N -1.522 119.737 121.223 0.060 0.000 3.410 910 L HA 0.340 4.688 4.340 0.013 0.000 0.309 910 L C 1.204 178.130 176.870 0.093 0.000 1.254 910 L CA 0.122 54.998 54.840 0.059 0.000 1.048 910 L CB 0.140 42.224 42.059 0.042 0.000 1.442 910 L HN 0.097 nan 8.230 nan 0.000 0.615 911 T N -2.883 111.750 114.554 0.132 0.000 2.915 911 T HA 0.054 4.412 4.350 0.013 0.000 0.269 911 T C 1.766 176.491 174.700 0.042 0.000 1.071 911 T CA 1.230 63.421 62.100 0.152 0.000 1.132 911 T CB -0.272 68.740 68.868 0.240 0.000 0.878 911 T HN 0.389 nan 8.240 nan 0.000 0.479 912 A N 1.691 124.548 122.820 0.062 0.000 2.016 912 A HA 0.639 4.967 4.320 0.013 0.000 0.217 912 A C 1.673 179.333 177.584 0.125 0.000 1.162 912 A CA 0.519 52.546 52.037 -0.016 0.000 0.662 912 A CB -0.997 18.134 19.000 0.218 0.000 0.812 912 A HN 0.827 nan 8.150 nan 0.000 0.450 913 A N -1.085 121.763 122.820 0.046 0.000 2.466 913 A HA 0.405 4.733 4.320 0.013 0.000 0.238 913 A C 0.094 177.703 177.584 0.042 0.000 1.074 913 A CA 0.118 52.143 52.037 -0.019 0.000 0.774 913 A CB -0.220 18.759 19.000 -0.033 0.000 1.015 913 A HN 0.509 nan 8.150 nan 0.000 0.498 914 C N 0.493 119.806 119.300 0.023 0.000 2.561 914 C HA 0.557 5.024 4.460 0.013 0.000 0.319 914 C C -0.165 174.951 174.990 0.211 0.000 1.198 914 C CA -0.484 58.615 59.018 0.136 0.000 1.665 914 C CB 0.909 28.759 27.740 0.184 0.000 2.258 914 C HN 0.790 nan 8.230 nan 0.000 0.493 915 F N 3.750 123.575 119.950 -0.210 0.000 2.421 915 F HA 0.489 5.024 4.527 0.012 0.000 0.358 915 F C 0.307 175.781 175.800 -0.543 0.000 1.115 915 F CA 1.006 58.744 58.000 -0.438 0.000 1.160 915 F CB 0.004 38.281 39.000 -1.205 0.000 1.123 915 F HN 0.645 nan 8.300 nan 0.000 0.508 916 D N 3.522 123.383 120.400 -0.899 0.000 2.970 916 D HA 0.198 4.846 4.640 0.013 0.000 0.344 916 D C -1.617 173.828 176.300 -1.425 0.000 1.365 916 D CA -0.691 52.636 54.000 -1.121 0.000 0.910 916 D CB 1.592 41.550 40.800 -1.404 0.000 1.445 916 D HN 0.490 nan 8.370 nan 0.000 0.532 917 R N 0.672 120.414 120.500 -1.263 0.000 2.229 917 R HA 0.503 4.850 4.340 0.013 0.000 0.332 917 R C -1.434 174.145 176.300 -1.203 0.000 0.989 917 R CA -0.271 55.240 56.100 -0.982 0.000 0.842 917 R CB 0.213 30.176 30.300 -0.562 0.000 1.119 917 R HN 0.270 nan 8.270 nan 0.000 0.456 918 W N 2.404 123.179 121.300 -0.875 0.000 2.647 918 W HA 0.443 5.110 4.660 0.013 0.000 0.353 918 W C -0.379 175.776 176.519 -0.606 0.000 1.080 918 W CA -0.600 56.192 57.345 -0.921 0.000 1.208 918 W CB 1.621 30.046 29.460 -1.726 0.000 1.396 918 W HN 0.380 nan 8.180 nan 0.000 0.573 919 D N 2.385 122.744 120.400 -0.068 0.000 2.616 919 D HA 0.423 5.071 4.640 0.013 0.000 0.238 919 D C -1.404 174.989 176.300 0.155 0.000 1.354 919 D CA -0.127 53.916 54.000 0.073 0.000 0.970 919 D CB 1.008 41.812 40.800 0.007 0.000 1.369 919 D HN 0.353 nan 8.370 nan 0.000 0.585 920 L N 2.733 124.122 121.223 0.277 0.000 2.303 920 L HA 0.595 4.942 4.340 0.013 0.000 0.256 920 L C -2.362 174.621 176.870 0.188 0.000 1.034 920 L CA -2.185 52.787 54.840 0.220 0.000 0.832 920 L CB 2.529 44.751 42.059 0.271 0.000 1.403 920 L HN 0.169 nan 8.230 nan 0.000 0.419 921 P HA 0.075 nan 4.420 nan 0.000 0.274 921 P C 0.549 177.922 177.300 0.121 0.000 1.231 921 P CA -0.445 62.723 63.100 0.112 0.000 0.790 921 P CB 1.018 32.763 31.700 0.076 0.000 0.951 922 L N 3.336 124.635 121.223 0.126 0.000 1.997 922 L HA -0.290 4.057 4.340 0.013 0.000 0.216 922 L C 2.347 179.256 176.870 0.064 0.000 1.074 922 L CA 2.959 57.862 54.840 0.106 0.000 0.763 922 L CB -1.753 40.378 42.059 0.119 0.000 0.890 922 L HN 0.503 nan 8.230 nan 0.000 0.434 923 S N -1.857 113.883 115.700 0.067 0.000 2.440 923 S HA -0.194 4.284 4.470 0.013 0.000 0.238 923 S C 1.568 176.226 174.600 0.098 0.000 1.010 923 S CA 1.314 59.565 58.200 0.086 0.000 0.972 923 S CB -0.775 62.469 63.200 0.074 0.000 0.774 923 S HN 0.556 nan 8.310 nan 0.000 0.501 924 D N 0.742 121.179 120.400 0.063 0.000 2.355 924 D HA 0.156 4.804 4.640 0.013 0.000 0.218 924 D C 1.180 177.478 176.300 -0.004 0.000 1.004 924 D CA 0.499 54.515 54.000 0.028 0.000 0.880 924 D CB -0.060 40.765 40.800 0.042 0.000 0.911 924 D HN 0.377 nan 8.370 nan 0.000 0.528 925 M N -0.439 119.166 119.600 0.009 0.000 2.495 925 M HA 0.086 4.574 4.480 0.013 0.000 0.237 925 M C -0.053 176.240 176.300 -0.012 0.000 1.131 925 M CA -0.068 55.191 55.300 -0.068 0.000 1.032 925 M CB -0.703 31.848 32.600 -0.081 0.000 1.513 925 M HN -0.027 nan 8.290 nan 0.000 0.488 926 Y N -0.254 119.995 120.300 -0.085 0.000 2.429 926 Y HA 0.538 5.096 4.550 0.013 0.000 0.342 926 Y C -0.811 175.031 175.900 -0.096 0.000 1.004 926 Y CA -0.766 57.303 58.100 -0.051 0.000 1.075 926 Y CB 1.359 39.852 38.460 0.056 0.000 1.214 926 Y HN -0.127 nan 8.280 nan 0.000 0.455 927 T N 8.190 122.227 114.554 -0.862 0.000 2.770 927 T HA 0.306 4.664 4.350 0.013 0.000 0.283 927 T C -2.714 171.159 174.700 -1.378 0.000 0.988 927 T CA -1.559 59.960 62.100 -0.968 0.000 0.957 927 T CB 1.339 69.693 68.868 -0.856 0.000 0.930 927 T HN 0.477 nan 8.240 nan 0.000 0.443 928 P HA 0.156 nan 4.420 nan 0.000 0.218 928 P C -0.631 176.506 177.300 -0.271 0.000 1.793 928 P CA -0.482 62.192 63.100 -0.710 0.000 0.941 928 P CB -0.679 30.777 31.700 -0.406 0.000 1.919 929 Y N -0.284 119.946 120.300 -0.117 0.000 2.712 929 Y HA -0.116 4.441 4.550 0.013 0.000 0.333 929 Y C 2.325 178.290 175.900 0.108 0.000 1.225 929 Y CA -0.465 57.651 58.100 0.025 0.000 1.499 929 Y CB 0.510 38.929 38.460 -0.068 0.000 1.288 929 Y HN -0.101 nan 8.280 nan 0.000 0.575 930 V N 3.419 123.570 119.914 0.394 0.000 2.324 930 V HA -0.320 3.807 4.120 0.013 0.000 0.250 930 V C 0.542 176.826 176.094 0.316 0.000 1.060 930 V CA 1.570 64.081 62.300 0.351 0.000 1.042 930 V CB -0.619 31.446 31.823 0.402 0.000 0.650 930 V HN 0.606 nan 8.190 nan 0.000 0.450 931 F N 3.165 123.174 119.950 0.098 0.000 2.371 931 F HA 0.533 5.068 4.527 0.013 0.000 0.363 931 F C -2.507 173.301 175.800 0.014 0.000 1.122 931 F CA -3.307 54.691 58.000 -0.004 0.000 1.129 931 F CB 0.874 39.748 39.000 -0.211 0.000 1.173 931 F HN -0.027 nan 8.300 nan 0.000 0.489 932 P HA 0.187 nan 4.420 nan 0.000 0.268 932 P C -1.014 175.962 177.300 -0.540 0.000 1.204 932 P CA 0.195 63.035 63.100 -0.434 0.000 0.768 932 P CB 1.155 32.635 31.700 -0.366 0.000 0.842 933 S N 0.397 115.988 115.700 -0.183 0.000 2.661 933 S HA 0.440 4.917 4.470 0.013 0.000 0.268 933 S C -0.764 173.834 174.600 -0.004 0.000 1.162 933 S CA -0.990 57.149 58.200 -0.103 0.000 0.817 933 S CB 0.540 63.723 63.200 -0.029 0.000 1.141 933 S HN 0.321 nan 8.310 nan 0.000 0.477 934 E N 1.143 121.353 120.200 0.017 0.000 2.502 934 E HA 0.342 4.700 4.350 0.013 0.000 0.261 934 E C -0.195 176.469 176.600 0.106 0.000 0.974 934 E CA 0.851 57.289 56.400 0.063 0.000 0.936 934 E CB -0.211 29.549 29.700 0.100 0.000 0.926 934 E HN 0.807 nan 8.360 nan 0.000 0.459 935 N N 1.444 120.239 118.700 0.159 0.000 3.185 935 N HA 0.467 5.214 4.740 0.013 0.000 0.238 935 N C 0.119 175.688 175.510 0.098 0.000 1.451 935 N CA -0.527 52.657 53.050 0.222 0.000 0.888 935 N CB 0.869 39.481 38.487 0.208 0.000 1.413 935 N HN 0.760 nan 8.380 nan 0.000 0.511 936 G N -1.297 107.519 108.800 0.027 0.000 2.162 936 G HA2 -0.259 3.708 3.960 0.013 0.000 0.260 936 G HA3 -0.259 3.708 3.960 0.013 0.000 0.260 936 G C -0.231 174.389 174.900 -0.467 0.000 0.976 936 G CA 0.410 45.393 45.100 -0.195 0.000 0.655 936 G HN 0.707 nan 8.290 nan 0.000 0.533 937 L N -0.123 120.725 121.223 -0.625 0.000 2.482 937 L HA 0.693 5.041 4.340 0.013 0.000 0.273 937 L C 0.690 176.963 176.870 -0.994 0.000 1.228 937 L CA 0.364 54.599 54.840 -1.010 0.000 0.827 937 L CB 0.558 41.665 42.059 -1.587 0.000 1.099 937 L HN 0.251 nan 8.230 nan 0.000 0.494 938 R N 1.929 121.773 120.500 -1.093 0.000 2.532 938 R HA 0.474 4.822 4.340 0.013 0.000 0.297 938 R C -1.048 174.904 176.300 -0.581 0.000 0.984 938 R CA -0.295 55.309 56.100 -0.827 0.000 0.884 938 R CB 1.371 31.064 30.300 -1.011 0.000 1.182 938 R HN 0.676 nan 8.270 nan 0.000 0.442 939 C N 0.349 119.451 119.300 -0.330 0.000 2.352 939 C HA 0.709 5.177 4.460 0.013 0.000 0.387 939 C C 1.377 176.342 174.990 -0.042 0.000 1.294 939 C CA 0.005 58.910 59.018 -0.188 0.000 2.137 939 C CB 1.242 28.900 27.740 -0.137 0.000 2.146 939 C HN 1.035 nan 8.230 nan 0.000 0.559 940 G N 1.729 110.520 108.800 -0.014 0.000 2.379 940 G HA2 -0.194 3.774 3.960 0.013 0.000 0.297 940 G HA3 -0.194 3.774 3.960 0.013 0.000 0.297 940 G C -0.015 174.928 174.900 0.071 0.000 1.004 940 G CA 0.640 45.781 45.100 0.068 0.000 0.921 940 G HN 0.804 nan 8.290 nan 0.000 0.511 941 T N -0.123 114.347 114.554 -0.141 0.000 2.856 941 T HA 0.495 4.853 4.350 0.013 0.000 0.292 941 T C 1.376 175.766 174.700 -0.518 0.000 0.980 941 T CA -0.457 61.493 62.100 -0.250 0.000 1.091 941 T CB 1.254 70.017 68.868 -0.174 0.000 0.936 941 T HN 0.230 nan 8.240 nan 0.000 0.503 942 R N 1.426 121.821 120.500 -0.176 0.000 2.307 942 R HA 0.312 4.659 4.340 0.013 0.000 0.200 942 R C 0.500 176.811 176.300 0.019 0.000 0.893 942 R CA 0.180 56.246 56.100 -0.055 0.000 1.042 942 R CB 0.343 30.744 30.300 0.168 0.000 1.059 942 R HN 0.718 nan 8.270 nan 0.000 0.530 943 E N 0.383 120.601 120.200 0.029 0.000 2.354 943 E HA 0.326 4.684 4.350 0.013 0.000 0.283 943 E C -1.857 174.857 176.600 0.190 0.000 0.938 943 E CA -0.670 55.832 56.400 0.169 0.000 0.777 943 E CB 1.555 31.328 29.700 0.122 0.000 1.222 943 E HN -0.082 nan 8.360 nan 0.000 0.423 944 L N 3.942 125.338 121.223 0.288 0.000 2.410 944 L HA 0.588 4.935 4.340 0.013 0.000 0.270 944 L C -1.841 175.223 176.870 0.323 0.000 0.983 944 L CA -0.397 54.562 54.840 0.199 0.000 0.822 944 L CB 1.753 43.766 42.059 -0.076 0.000 1.285 944 L HN 0.468 nan 8.230 nan 0.000 0.409 945 N N 4.677 123.536 118.700 0.264 0.000 2.354 945 N HA 0.398 5.146 4.740 0.013 0.000 0.287 945 N C -1.947 173.780 175.510 0.362 0.000 1.016 945 N CA -0.286 52.914 53.050 0.251 0.000 0.871 945 N CB 2.168 40.743 38.487 0.146 0.000 1.299 945 N HN 0.589 nan 8.380 nan 0.000 0.482 946 Y N 1.146 121.583 120.300 0.228 0.000 2.298 946 Y HA 0.389 4.947 4.550 0.013 0.000 0.322 946 Y C 0.659 176.663 175.900 0.174 0.000 1.138 946 Y CA 0.115 58.352 58.100 0.227 0.000 1.127 946 Y CB 0.633 39.288 38.460 0.325 0.000 1.178 946 Y HN 0.860 nan 8.280 nan 0.000 0.428 947 G N 6.592 115.204 108.800 -0.314 0.000 2.611 947 G HA2 -0.313 3.655 3.960 0.013 0.000 0.301 947 G HA3 -0.313 3.655 3.960 0.013 0.000 0.301 947 G C -1.713 173.053 174.900 -0.223 0.000 1.233 947 G CA 0.215 45.120 45.100 -0.324 0.000 0.993 947 G HN 0.537 nan 8.290 nan 0.000 0.553 948 P HA 0.112 nan 4.420 nan 0.000 0.231 948 P C 0.410 177.471 177.300 -0.399 0.000 1.168 948 P CA 0.970 63.844 63.100 -0.378 0.000 0.779 948 P CB -0.044 31.365 31.700 -0.484 0.000 0.844 949 H N 0.265 119.253 119.070 -0.137 0.000 2.505 949 H HA 0.438 5.002 4.556 0.013 0.000 0.351 949 H C 0.088 175.142 175.328 -0.457 0.000 1.151 949 H CA 0.016 55.839 56.048 -0.375 0.000 1.339 949 H CB 1.330 30.588 29.762 -0.839 0.000 1.483 949 H HN 0.083 nan 8.280 nan 0.000 0.558 950 Q N 2.252 121.785 119.800 -0.445 0.000 2.305 950 Q HA 0.258 4.606 4.340 0.013 0.000 0.271 950 Q C -1.690 174.050 176.000 -0.433 0.000 1.046 950 Q CA -0.713 54.930 55.803 -0.266 0.000 0.798 950 Q CB 2.093 30.806 28.738 -0.042 0.000 1.286 950 Q HN 0.587 nan 8.270 nan 0.000 0.435 951 W N 3.805 125.054 121.300 -0.087 0.000 2.785 951 W HA 0.577 5.244 4.660 0.013 0.000 0.333 951 W C -0.363 176.228 176.519 0.119 0.000 1.062 951 W CA -0.782 56.487 57.345 -0.127 0.000 1.233 951 W CB 2.111 31.314 29.460 -0.428 0.000 1.413 951 W HN 0.560 nan 8.180 nan 0.000 0.489 952 R N 0.806 121.541 120.500 0.391 0.000 2.750 952 R HA 0.820 5.167 4.340 0.013 0.000 0.281 952 R C 0.164 176.742 176.300 0.464 0.000 0.972 952 R CA -0.561 55.787 56.100 0.413 0.000 0.912 952 R CB 2.451 32.903 30.300 0.253 0.000 1.187 952 R HN 0.730 nan 8.270 nan 0.000 0.464 953 G N 0.588 109.676 108.800 0.481 0.000 2.566 953 G HA2 0.031 3.999 3.960 0.013 0.000 0.138 953 G HA3 0.031 3.999 3.960 0.013 0.000 0.138 953 G C -1.759 173.297 174.900 0.261 0.000 1.133 953 G CA -0.340 45.011 45.100 0.418 0.000 1.037 953 G HN 0.474 nan 8.290 nan 0.000 0.491 954 D N 0.211 120.771 120.400 0.266 0.000 2.330 954 D HA 0.612 5.260 4.640 0.013 0.000 0.249 954 D C -0.753 175.577 176.300 0.050 0.000 1.306 954 D CA -0.451 53.585 54.000 0.060 0.000 0.956 954 D CB 0.329 41.186 40.800 0.095 0.000 1.261 954 D HN 0.511 nan 8.370 nan 0.000 0.544 955 F N -0.193 119.753 119.950 -0.005 0.000 2.869 955 F HA 0.691 5.226 4.527 0.013 0.000 0.325 955 F C -1.249 174.507 175.800 -0.074 0.000 1.184 955 F CA -1.031 56.902 58.000 -0.111 0.000 0.951 955 F CB 0.684 39.611 39.000 -0.121 0.000 1.421 955 F HN -0.172 nan 8.300 nan 0.000 0.501 956 Q N 1.458 121.346 119.800 0.147 0.000 2.345 956 Q HA 0.661 5.008 4.340 0.013 0.000 0.268 956 Q C -1.269 174.785 176.000 0.089 0.000 1.054 956 Q CA -0.507 55.280 55.803 -0.028 0.000 0.835 956 Q CB 2.725 31.339 28.738 -0.205 0.000 1.339 956 Q HN 0.854 nan 8.270 nan 0.000 0.447 957 F N -1.151 118.662 119.950 -0.228 0.000 2.711 957 F HA 0.770 5.304 4.527 0.013 0.000 0.313 957 F C -1.489 174.083 175.800 -0.379 0.000 1.141 957 F CA -1.104 56.732 58.000 -0.273 0.000 0.941 957 F CB 1.647 40.515 39.000 -0.219 0.000 1.349 957 F HN 0.530 nan 8.300 nan 0.000 0.464 958 N N 1.495 120.011 118.700 -0.307 0.000 2.277 958 N HA 0.701 5.448 4.740 0.013 0.000 0.286 958 N C -2.184 173.253 175.510 -0.122 0.000 1.140 958 N CA -0.652 52.193 53.050 -0.342 0.000 0.799 958 N CB 2.467 40.748 38.487 -0.342 0.000 1.596 958 N HN 1.139 nan 8.380 nan 0.000 0.473 959 I N 0.912 121.400 120.570 -0.136 0.000 2.649 959 I HA 0.647 4.824 4.170 0.013 0.000 0.289 959 I C -1.445 174.585 176.117 -0.144 0.000 1.222 959 I CA 0.090 61.295 61.300 -0.159 0.000 1.046 959 I CB 1.347 39.194 38.000 -0.254 0.000 1.272 959 I HN 1.064 nan 8.210 nan 0.000 0.425 960 S N 6.321 121.950 115.700 -0.118 0.000 2.669 960 S HA 0.491 4.968 4.470 0.013 0.000 0.266 960 S C -0.283 174.216 174.600 -0.167 0.000 1.149 960 S CA -0.943 57.172 58.200 -0.141 0.000 0.842 960 S CB 1.548 64.711 63.200 -0.062 0.000 1.160 960 S HN 0.628 nan 8.310 nan 0.000 0.487 961 R N -0.152 120.072 120.500 -0.459 0.000 2.320 961 R HA 0.283 4.630 4.340 0.013 0.000 0.211 961 R C -0.836 175.163 176.300 -0.503 0.000 0.931 961 R CA 0.327 56.131 56.100 -0.493 0.000 1.071 961 R CB -0.962 28.937 30.300 -0.668 0.000 1.025 961 R HN 0.664 nan 8.270 nan 0.000 0.495 962 Y N 0.026 120.303 120.300 -0.037 0.000 2.376 962 Y HA 0.243 4.801 4.550 0.013 0.000 0.340 962 Y C 0.616 176.263 175.900 -0.422 0.000 0.965 962 Y CA -1.222 56.751 58.100 -0.212 0.000 1.078 962 Y CB 1.467 39.754 38.460 -0.288 0.000 1.193 962 Y HN -0.122 nan 8.280 nan 0.000 0.452 963 S N 1.529 116.815 115.700 -0.689 0.000 2.592 963 S HA 0.067 4.545 4.470 0.013 0.000 0.271 963 S C 0.847 175.095 174.600 -0.588 0.000 1.326 963 S CA -0.814 56.641 58.200 -1.242 0.000 1.024 963 S CB 1.305 63.636 63.200 -1.448 0.000 0.921 963 S HN 0.720 nan 8.310 nan 0.000 0.527 964 Q N 0.938 120.434 119.800 -0.507 0.000 2.135 964 Q HA -0.218 4.130 4.340 0.013 0.000 0.204 964 Q C 2.175 178.034 176.000 -0.234 0.000 0.981 964 Q CA 1.901 57.544 55.803 -0.267 0.000 0.856 964 Q CB -0.545 28.072 28.738 -0.202 0.000 0.902 964 Q HN 0.966 nan 8.270 nan 0.000 0.425 965 Q N 0.438 120.058 119.800 -0.299 0.000 2.050 965 Q HA -0.210 4.138 4.340 0.013 0.000 0.202 965 Q C 2.132 178.015 176.000 -0.195 0.000 0.980 965 Q CA 1.431 57.115 55.803 -0.198 0.000 0.840 965 Q CB 0.022 28.653 28.738 -0.177 0.000 0.898 965 Q HN 0.411 nan 8.270 nan 0.000 0.424 966 Q N 0.039 119.683 119.800 -0.260 0.000 2.084 966 Q HA -0.170 4.177 4.340 0.013 0.000 0.202 966 Q C 2.261 178.115 176.000 -0.242 0.000 0.978 966 Q CA 1.331 56.986 55.803 -0.247 0.000 0.844 966 Q CB -0.074 28.478 28.738 -0.310 0.000 0.898 966 Q HN 0.463 nan 8.270 nan 0.000 0.426 967 L N -0.108 120.974 121.223 -0.235 0.000 2.079 967 L HA -0.225 4.123 4.340 0.013 0.000 0.210 967 L C 2.630 179.360 176.870 -0.232 0.000 1.081 967 L CA 1.118 55.821 54.840 -0.228 0.000 0.752 967 L CB -0.296 41.669 42.059 -0.158 0.000 0.896 967 L HN 0.357 nan 8.230 nan 0.000 0.433 968 M N -0.598 118.897 119.600 -0.174 0.000 2.254 968 M HA -0.167 4.321 4.480 0.013 0.000 0.265 968 M C 1.650 177.870 176.300 -0.133 0.000 1.066 968 M CA 1.619 56.836 55.300 -0.138 0.000 1.123 968 M CB 0.068 32.605 32.600 -0.105 0.000 1.388 968 M HN 0.247 nan 8.290 nan 0.000 0.425 969 E N -1.399 118.721 120.200 -0.133 0.000 2.479 969 E HA 0.065 4.423 4.350 0.013 0.000 0.193 969 E C -0.092 176.449 176.600 -0.099 0.000 1.049 969 E CA 0.122 56.466 56.400 -0.093 0.000 0.870 969 E CB 0.173 29.832 29.700 -0.068 0.000 0.944 969 E HN 0.233 nan 8.360 nan 0.000 0.492 970 T N 0.463 114.921 114.554 -0.161 0.000 2.867 970 T HA 0.166 4.524 4.350 0.013 0.000 0.282 970 T C 1.061 175.659 174.700 -0.171 0.000 1.000 970 T CA -0.461 61.547 62.100 -0.154 0.000 1.042 970 T CB 1.706 70.442 68.868 -0.220 0.000 0.973 970 T HN 0.104 nan 8.240 nan 0.000 0.465 971 S N 1.039 116.727 115.700 -0.020 0.000 2.492 971 S HA 0.126 4.603 4.470 0.013 0.000 0.218 971 S C 0.186 174.831 174.600 0.076 0.000 1.016 971 S CA 0.117 58.384 58.200 0.112 0.000 0.916 971 S CB -0.183 63.216 63.200 0.332 0.000 0.791 971 S HN 0.740 nan 8.310 nan 0.000 0.513 972 H N 0.681 119.757 119.070 0.009 0.000 2.771 972 H HA 0.501 5.064 4.556 0.013 0.000 0.361 972 H C 0.926 176.225 175.328 -0.047 0.000 1.108 972 H CA -0.793 55.313 56.048 0.096 0.000 1.201 972 H CB 1.512 31.344 29.762 0.116 0.000 1.681 972 H HN 0.119 nan 8.280 nan 0.000 0.534 973 R N 1.855 122.462 120.500 0.178 0.000 2.105 973 R HA -0.195 4.152 4.340 0.013 0.000 0.239 973 R C 1.221 177.527 176.300 0.009 0.000 1.135 973 R CA 2.010 58.146 56.100 0.060 0.000 0.967 973 R CB -0.514 29.866 30.300 0.135 0.000 0.861 973 R HN 0.784 nan 8.270 nan 0.000 0.442 974 H N 1.015 120.080 119.070 -0.008 0.000 2.545 974 H HA 0.026 4.589 4.556 0.012 0.000 0.282 974 H C 1.535 176.769 175.328 -0.155 0.000 1.020 974 H CA 0.794 56.794 56.048 -0.079 0.000 1.243 974 H CB -0.198 29.517 29.762 -0.077 0.000 1.377 974 H HN 0.317 nan 8.280 nan 0.000 0.581 975 L N 0.796 121.551 121.223 -0.779 0.000 2.591 975 L HA 0.189 4.536 4.340 0.013 0.000 0.228 975 L C 0.767 177.456 176.870 -0.302 0.000 1.133 975 L CA -0.125 54.375 54.840 -0.566 0.000 0.880 975 L CB 0.085 41.833 42.059 -0.519 0.000 1.033 975 L HN 0.072 nan 8.230 nan 0.000 0.450 976 L N 0.808 121.843 121.223 -0.314 0.000 2.439 976 L HA 0.114 4.461 4.340 0.013 0.000 0.269 976 L C 0.226 177.005 176.870 -0.152 0.000 1.179 976 L CA -0.041 54.570 54.840 -0.381 0.000 0.828 976 L CB 0.425 42.039 42.059 -0.741 0.000 1.106 976 L HN 0.216 nan 8.230 nan 0.000 0.467 977 H N 1.898 120.948 119.070 -0.033 0.000 2.609 977 H HA 0.592 5.155 4.556 0.013 0.000 0.344 977 H C -0.782 174.685 175.328 0.230 0.000 1.040 977 H CA -1.185 54.910 56.048 0.078 0.000 1.216 977 H CB 1.284 31.053 29.762 0.011 0.000 1.529 977 H HN 0.684 nan 8.280 nan 0.000 0.519 978 A N 3.958 126.962 122.820 0.306 0.000 2.498 978 A HA 0.121 4.448 4.320 0.013 0.000 0.239 978 A C 0.285 177.977 177.584 0.180 0.000 1.068 978 A CA -0.224 51.852 52.037 0.064 0.000 0.766 978 A CB 0.184 19.152 19.000 -0.052 0.000 1.003 978 A HN 0.882 nan 8.150 nan 0.000 0.497 979 E N 0.693 120.975 120.200 0.135 0.000 2.267 979 E HA 0.267 4.624 4.350 0.013 0.000 0.258 979 E C -0.333 176.325 176.600 0.098 0.000 1.074 979 E CA -0.783 55.748 56.400 0.218 0.000 0.915 979 E CB 0.857 30.778 29.700 0.369 0.000 1.186 979 E HN 0.782 nan 8.360 nan 0.000 0.439 980 E N 0.196 120.441 120.200 0.076 0.000 2.373 980 E HA 0.254 4.611 4.350 0.013 0.000 0.267 980 E C 0.227 176.792 176.600 -0.058 0.000 1.032 980 E CA 0.478 56.880 56.400 0.003 0.000 0.889 980 E CB 0.491 30.187 29.700 -0.006 0.000 0.984 980 E HN 0.677 nan 8.360 nan 0.000 0.425 981 G N 2.661 111.423 108.800 -0.063 0.000 2.752 981 G HA2 -0.230 3.738 3.960 0.013 0.000 0.234 981 G HA3 -0.230 3.738 3.960 0.013 0.000 0.234 981 G C -0.569 174.268 174.900 -0.105 0.000 1.367 981 G CA -0.229 44.814 45.100 -0.094 0.000 0.879 981 G HN 0.573 nan 8.290 nan 0.000 0.563 982 T N 0.446 114.927 114.554 -0.122 0.000 2.792 982 T HA 0.509 4.867 4.350 0.013 0.000 0.280 982 T C -0.550 173.993 174.700 -0.262 0.000 0.990 982 T CA -0.093 61.935 62.100 -0.120 0.000 0.960 982 T CB 1.204 70.073 68.868 0.002 0.000 0.939 982 T HN 0.536 nan 8.240 nan 0.000 0.439 983 W N 3.303 124.513 121.300 -0.150 0.000 2.322 983 W HA 0.575 5.243 4.660 0.013 0.000 0.307 983 W C -0.214 176.182 176.519 -0.205 0.000 1.220 983 W CA -0.664 56.592 57.345 -0.148 0.000 1.210 983 W CB 0.607 29.989 29.460 -0.130 0.000 1.223 983 W HN 0.385 nan 8.180 nan 0.000 0.511 984 L N 5.352 126.573 121.223 -0.004 0.000 2.341 984 L HA 0.544 4.892 4.340 0.013 0.000 0.278 984 L C -0.954 175.832 176.870 -0.139 0.000 1.005 984 L CA -0.514 54.217 54.840 -0.182 0.000 0.818 984 L CB 1.062 42.880 42.059 -0.401 0.000 1.259 984 L HN 0.321 nan 8.230 nan 0.000 0.418 985 N N 6.814 125.411 118.700 -0.170 0.000 2.407 985 N HA 0.496 5.243 4.740 0.013 0.000 0.277 985 N C -1.291 174.074 175.510 -0.242 0.000 0.995 985 N CA -0.216 52.728 53.050 -0.177 0.000 0.903 985 N CB 2.311 40.721 38.487 -0.129 0.000 1.218 985 N HN 0.565 nan 8.380 nan 0.000 0.487 986 I N 1.907 122.289 120.570 -0.312 0.000 2.439 986 I HA 0.218 4.395 4.170 0.013 0.000 0.283 986 I C -0.871 175.042 176.117 -0.341 0.000 1.023 986 I CA -0.620 60.448 61.300 -0.386 0.000 1.100 986 I CB 1.616 39.217 38.000 -0.666 0.000 1.238 986 I HN 0.178 nan 8.210 nan 0.000 0.445 987 D N 4.254 124.488 120.400 -0.277 0.000 2.185 987 D HA 0.307 4.955 4.640 0.013 0.000 0.247 987 D C 0.945 176.935 176.300 -0.517 0.000 1.027 987 D CA -0.243 53.525 54.000 -0.386 0.000 0.861 987 D CB 2.520 43.195 40.800 -0.208 0.000 1.202 987 D HN 0.663 nan 8.370 nan 0.000 0.453 988 G N 0.761 108.926 108.800 -1.057 0.000 2.430 988 G HA2 0.015 3.983 3.960 0.013 0.000 0.216 988 G HA3 0.015 3.983 3.960 0.013 0.000 0.216 988 G C 0.069 174.192 174.900 -1.296 0.000 1.146 988 G CA 0.470 44.844 45.100 -1.209 0.000 0.793 988 G HN 0.365 nan 8.290 nan 0.000 0.537 989 F N -1.819 117.942 119.950 -0.314 0.000 2.591 989 F HA 0.598 5.133 4.527 0.012 0.000 0.309 989 F C -0.538 175.163 175.800 -0.165 0.000 1.098 989 F CA -1.159 56.733 58.000 -0.179 0.000 0.937 989 F CB 2.166 40.995 39.000 -0.284 0.000 1.250 989 F HN 0.042 nan 8.300 nan 0.000 0.447 990 H N 2.181 121.254 119.070 0.006 0.000 2.865 990 H HA 0.519 5.082 4.556 0.012 0.000 0.362 990 H C -0.989 174.364 175.328 0.042 0.000 1.114 990 H CA -0.867 55.162 56.048 -0.032 0.000 1.208 990 H CB 1.828 31.552 29.762 -0.063 0.000 1.727 990 H HN 0.777 nan 8.280 nan 0.000 0.534 991 M N 3.526 123.037 119.600 -0.148 0.000 2.241 991 M HA 0.330 4.818 4.480 0.013 0.000 0.335 991 M C 0.395 176.799 176.300 0.174 0.000 1.122 991 M CA 0.082 55.384 55.300 0.003 0.000 1.164 991 M CB 0.435 32.934 32.600 -0.168 0.000 1.459 991 M HN 0.856 nan 8.290 nan 0.000 0.461 992 G N 2.839 111.727 108.800 0.146 0.000 2.614 992 G HA2 0.253 4.220 3.960 0.013 0.000 0.239 992 G HA3 0.253 4.220 3.960 0.013 0.000 0.239 992 G C 0.625 175.509 174.900 -0.026 0.000 1.240 992 G CA -0.413 44.714 45.100 0.045 0.000 0.842 992 G HN 0.975 nan 8.290 nan 0.000 0.584 993 I N -0.858 119.651 120.570 -0.101 0.000 3.427 993 I HA 0.398 4.576 4.170 0.013 0.000 0.288 993 I C 1.226 177.277 176.117 -0.110 0.000 1.249 993 I CA 0.449 61.651 61.300 -0.163 0.000 1.421 993 I CB -0.574 37.227 38.000 -0.332 0.000 1.086 993 I HN 0.938 nan 8.210 nan 0.000 0.448 994 G N 1.327 110.086 108.800 -0.068 0.000 2.698 994 G HA2 0.052 4.019 3.960 0.013 0.000 0.233 994 G HA3 0.052 4.019 3.960 0.013 0.000 0.233 994 G C 0.515 175.413 174.900 -0.003 0.000 1.352 994 G CA 0.024 45.118 45.100 -0.010 0.000 0.879 994 G HN 1.313 nan 8.290 nan 0.000 0.567 995 G N -2.503 106.310 108.800 0.021 0.000 2.935 995 G HA2 0.011 3.978 3.960 0.013 0.000 0.213 995 G HA3 0.011 3.978 3.960 0.013 0.000 0.213 995 G C 0.685 175.652 174.900 0.112 0.000 0.984 995 G CA 0.933 46.062 45.100 0.049 0.000 0.790 995 G HN 0.950 nan 8.290 nan 0.000 0.538 996 D N 1.289 121.767 120.400 0.131 0.000 2.158 996 D HA 0.099 4.747 4.640 0.013 0.000 0.197 996 D C 1.010 177.342 176.300 0.053 0.000 0.995 996 D CA 2.115 56.252 54.000 0.227 0.000 0.846 996 D CB 0.108 41.041 40.800 0.223 0.000 0.941 996 D HN 0.796 nan 8.370 nan 0.000 0.456 997 D N -3.363 116.863 120.400 -0.290 0.000 2.615 997 D HA 0.333 4.981 4.640 0.013 0.000 0.267 997 D C -0.767 175.010 176.300 -0.872 0.000 1.236 997 D CA -0.731 52.680 54.000 -0.981 0.000 0.839 997 D CB 0.988 40.657 40.800 -1.886 0.000 1.380 997 D HN -0.306 nan 8.370 nan 0.000 0.433 998 S N -0.441 114.598 115.700 -1.101 0.000 2.651 998 S HA 0.244 4.722 4.470 0.013 0.000 0.246 998 S C -0.532 174.168 174.600 0.166 0.000 1.039 998 S CA -0.626 57.474 58.200 -0.167 0.000 1.013 998 S CB -0.494 62.849 63.200 0.239 0.000 0.861 998 S HN 0.625 nan 8.310 nan 0.000 0.485 999 W N 0.740 121.981 121.300 -0.099 0.000 2.055 999 W HA 0.496 5.163 4.660 0.012 0.000 0.293 999 W C -0.034 176.435 176.519 -0.083 0.000 0.886 999 W CA -0.527 56.766 57.345 -0.087 0.000 1.384 999 W CB -0.495 28.843 29.460 -0.204 0.000 1.068 999 W HN 0.151 nan 8.180 nan 0.000 0.513 1000 S N -0.888 114.633 115.700 -0.299 0.000 2.588 1000 S HA 0.685 5.162 4.470 0.013 0.000 0.275 1000 S C -3.047 171.468 174.600 -0.141 0.000 1.130 1000 S CA -1.791 56.314 58.200 -0.160 0.000 0.855 1000 S CB 1.846 64.964 63.200 -0.136 0.000 1.116 1000 S HN -0.257 nan 8.310 nan 0.000 0.472 1001 P HA 0.188 nan 4.420 nan 0.000 0.264 1001 P C 0.304 177.636 177.300 0.053 0.000 1.193 1001 P CA 0.021 63.131 63.100 0.015 0.000 0.763 1001 P CB 0.661 32.277 31.700 -0.140 0.000 0.810 1002 S N 0.528 116.298 115.700 0.117 0.000 2.900 1002 S HA 0.143 4.621 4.470 0.013 0.000 0.253 1002 S C 0.103 174.781 174.600 0.129 0.000 1.029 1002 S CA -0.343 57.900 58.200 0.073 0.000 1.096 1002 S CB -0.340 62.848 63.200 -0.020 0.000 1.067 1002 S HN 0.093 nan 8.310 nan 0.000 0.610 1003 V N 2.880 122.916 119.914 0.202 0.000 2.455 1003 V HA 0.385 4.513 4.120 0.013 0.000 0.273 1003 V C 0.876 177.113 176.094 0.238 0.000 1.045 1003 V CA -0.359 62.048 62.300 0.177 0.000 0.976 1003 V CB 0.812 32.685 31.823 0.084 0.000 0.993 1003 V HN 0.525 nan 8.190 nan 0.000 0.475 1004 S N 4.123 119.974 115.700 0.252 0.000 2.568 1004 S HA 0.264 4.741 4.470 0.013 0.000 0.282 1004 S C 1.570 176.309 174.600 0.232 0.000 1.338 1004 S CA 0.076 58.420 58.200 0.239 0.000 1.045 1004 S CB 1.041 64.406 63.200 0.275 0.000 0.873 1004 S HN 1.019 nan 8.310 nan 0.000 0.516 1005 A N 3.938 126.855 122.820 0.161 0.000 1.917 1005 A HA -0.158 4.169 4.320 0.013 0.000 0.219 1005 A C 2.040 179.660 177.584 0.059 0.000 1.182 1005 A CA 1.881 54.001 52.037 0.137 0.000 0.633 1005 A CB -0.720 18.339 19.000 0.098 0.000 0.819 1005 A HN 0.977 nan 8.150 nan 0.000 0.448 1006 E N -0.771 119.404 120.200 -0.041 0.000 2.409 1006 E HA -0.143 4.215 4.350 0.013 0.000 0.198 1006 E C 0.785 177.174 176.600 -0.351 0.000 1.024 1006 E CA 0.823 57.089 56.400 -0.223 0.000 0.861 1006 E CB -0.484 28.993 29.700 -0.372 0.000 0.788 1006 E HN 0.684 nan 8.360 nan 0.000 0.521 1007 F N 1.258 121.258 119.950 0.082 0.000 2.641 1007 F HA 0.255 4.789 4.527 0.012 0.000 0.302 1007 F C 0.788 176.624 175.800 0.060 0.000 1.098 1007 F CA -0.449 57.600 58.000 0.081 0.000 1.318 1007 F CB 0.457 39.506 39.000 0.081 0.000 1.035 1007 F HN -0.186 nan 8.300 nan 0.000 0.551 1008 Q N 1.153 121.056 119.800 0.171 0.000 2.235 1008 Q HA 0.397 4.745 4.340 0.013 0.000 0.250 1008 Q C -0.236 175.796 176.000 0.053 0.000 0.909 1008 Q CA -0.491 55.389 55.803 0.128 0.000 0.910 1008 Q CB 1.827 30.727 28.738 0.272 0.000 1.223 1008 Q HN 0.259 nan 8.270 nan 0.000 0.432 1009 L N 2.507 123.750 121.223 0.034 0.000 2.399 1009 L HA 0.108 4.455 4.340 0.013 0.000 0.257 1009 L C 0.474 177.321 176.870 -0.039 0.000 1.236 1009 L CA -0.074 54.776 54.840 0.018 0.000 1.144 1009 L CB -0.316 41.633 42.059 -0.183 0.000 1.379 1009 L HN 0.706 nan 8.230 nan 0.000 0.414 1010 S N -1.096 114.490 115.700 -0.190 0.000 2.568 1010 S HA 0.169 4.647 4.470 0.013 0.000 0.232 1010 S C 1.625 176.151 174.600 -0.123 0.000 0.975 1010 S CA 0.127 58.027 58.200 -0.501 0.000 0.949 1010 S CB 0.794 63.547 63.200 -0.745 0.000 0.829 1010 S HN 0.529 nan 8.310 nan 0.000 0.479 1011 A N 1.645 124.438 122.820 -0.045 0.000 2.070 1011 A HA 0.407 4.735 4.320 0.013 0.000 0.220 1011 A C 2.127 179.567 177.584 -0.240 0.000 1.159 1011 A CA 1.433 53.293 52.037 -0.295 0.000 0.656 1011 A CB -1.232 17.331 19.000 -0.728 0.000 0.800 1011 A HN 1.482 nan 8.150 nan 0.000 0.453 1012 G N -1.541 107.225 108.800 -0.056 0.000 2.579 1012 G HA2 -0.276 3.691 3.960 0.013 0.000 0.222 1012 G HA3 -0.276 3.691 3.960 0.013 0.000 0.222 1012 G C 0.448 175.358 174.900 0.016 0.000 1.201 1012 G CA 0.340 45.455 45.100 0.024 0.000 0.710 1012 G HN 0.684 nan 8.290 nan 0.000 0.516 1013 R N -0.356 120.025 120.500 -0.198 0.000 2.561 1013 R HA 0.679 5.027 4.340 0.013 0.000 0.297 1013 R C -1.592 174.429 176.300 -0.465 0.000 0.969 1013 R CA -0.556 55.453 56.100 -0.153 0.000 0.879 1013 R CB 1.504 31.751 30.300 -0.088 0.000 1.178 1013 R HN 0.267 nan 8.270 nan 0.000 0.445 1014 Y N 0.546 120.823 120.300 -0.038 0.000 2.442 1014 Y HA 0.318 4.875 4.550 0.012 0.000 0.344 1014 Y C -0.426 175.598 175.900 0.208 0.000 0.976 1014 Y CA -0.845 57.176 58.100 -0.131 0.000 1.040 1014 Y CB 2.151 40.394 38.460 -0.362 0.000 1.228 1014 Y HN 0.590 nan 8.280 nan 0.000 0.451 1015 H N 3.142 122.460 119.070 0.413 0.000 2.600 1015 H HA 0.623 5.186 4.556 0.012 0.000 0.357 1015 H C -1.712 174.003 175.328 0.646 0.000 1.106 1015 H CA -0.880 55.415 56.048 0.411 0.000 1.193 1015 H CB 1.213 31.112 29.762 0.228 0.000 1.594 1015 H HN 0.589 nan 8.280 nan 0.000 0.526 1016 Y N 1.268 121.293 120.300 -0.459 0.000 2.638 1016 Y HA 0.569 5.127 4.550 0.013 0.000 0.335 1016 Y C -2.020 173.672 175.900 -0.347 0.000 1.155 1016 Y CA -1.079 56.875 58.100 -0.243 0.000 1.046 1016 Y CB 1.512 39.959 38.460 -0.023 0.000 1.303 1016 Y HN 0.672 nan 8.280 nan 0.000 0.460 1017 Q N 2.657 122.427 119.800 -0.050 0.000 2.309 1017 Q HA 0.737 5.085 4.340 0.013 0.000 0.273 1017 Q C -1.874 174.208 176.000 0.138 0.000 1.040 1017 Q CA -0.842 54.942 55.803 -0.032 0.000 0.834 1017 Q CB 3.381 32.164 28.738 0.075 0.000 1.345 1017 Q HN 0.731 nan 8.270 nan 0.000 0.414 1018 L N 0.631 121.920 121.223 0.110 0.000 2.350 1018 L HA 0.801 5.149 4.340 0.013 0.000 0.260 1018 L C -0.952 176.037 176.870 0.198 0.000 1.015 1018 L CA -1.222 53.725 54.840 0.177 0.000 0.821 1018 L CB 2.264 44.401 42.059 0.130 0.000 1.370 1018 L HN 0.318 nan 8.230 nan 0.000 0.416 1019 V N 0.742 120.800 119.914 0.240 0.000 2.487 1019 V HA 0.407 4.535 4.120 0.013 0.000 0.298 1019 V C -1.372 174.903 176.094 0.301 0.000 1.028 1019 V CA -0.347 62.101 62.300 0.247 0.000 0.860 1019 V CB 2.049 33.989 31.823 0.196 0.000 0.991 1019 V HN 0.626 nan 8.190 nan 0.000 0.427 1020 W N 7.331 128.698 121.300 0.112 0.000 2.376 1020 W HA 0.696 5.363 4.660 0.013 0.000 0.312 1020 W C -0.212 176.305 176.519 -0.004 0.000 1.060 1020 W CA -1.060 56.275 57.345 -0.018 0.000 1.221 1020 W CB 1.333 30.839 29.460 0.076 0.000 1.281 1020 W HN 0.864 nan 8.180 nan 0.000 0.456 1021 C N 4.533 124.075 119.300 0.404 0.000 3.321 1021 C HA 0.739 5.206 4.460 0.013 0.000 0.363 1021 C C -0.810 174.304 174.990 0.206 0.000 1.705 1021 C CA -0.697 58.502 59.018 0.301 0.000 1.298 1021 C CB 1.792 29.644 27.740 0.186 0.000 2.086 1021 C HN 0.705 nan 8.230 nan 0.000 0.438 1022 Q N 1.034 120.903 119.800 0.115 0.000 2.413 1022 Q HA 0.687 5.034 4.340 0.013 0.000 0.276 1022 Q C -1.331 174.667 176.000 -0.003 0.000 1.099 1022 Q CA -0.221 55.595 55.803 0.021 0.000 0.814 1022 Q CB 2.398 31.124 28.738 -0.020 0.000 1.379 1022 Q HN 0.937 nan 8.270 nan 0.000 0.436 1023 K N 0.000 120.372 120.400 -0.047 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.013 0.000 0.191 1023 K CA 0.000 56.264 56.287 -0.038 0.000 0.838 1023 K CB 0.000 32.484 32.500 -0.026 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543