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 3dyp_1_D 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 ANIETNGMVP 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 0.000 176.061 176.300 -0.398 0.000 0.893 13 R CA 0.000 55.951 56.100 -0.248 0.000 0.921 13 R CB 0.000 30.154 30.300 -0.243 0.000 0.687 14 R N 1.276 121.434 120.500 -0.570 0.000 3.256 14 R HA 0.164 4.513 4.340 0.015 0.000 0.263 14 R C -0.216 175.519 176.300 -0.941 0.000 1.388 14 R CA -0.392 54.964 56.100 -1.239 0.000 1.580 14 R CB 0.356 30.070 30.300 -0.976 0.000 1.255 14 R HN 0.501 nan 8.270 nan 0.000 0.640 15 D N 0.995 121.032 120.400 -0.604 0.000 2.311 15 D HA -0.181 4.468 4.640 0.015 0.000 0.212 15 D C 1.252 177.447 176.300 -0.174 0.000 0.972 15 D CA 1.142 54.894 54.000 -0.413 0.000 0.887 15 D CB 0.179 40.578 40.800 -0.669 0.000 0.915 15 D HN 0.640 nan 8.370 nan 0.000 0.497 16 W N 1.044 122.348 121.300 0.006 0.000 3.345 16 W HA 0.245 4.913 4.660 0.015 0.000 0.282 16 W C 0.463 177.068 176.519 0.143 0.000 1.302 16 W CA -0.319 57.131 57.345 0.175 0.000 1.724 16 W CB -0.191 29.425 29.460 0.260 0.000 1.104 16 W HN -0.209 nan 8.180 nan 0.000 0.694 17 E N 1.196 121.272 120.200 -0.207 0.000 3.157 17 E HA 0.060 4.419 4.350 0.015 0.000 0.203 17 E C -0.787 175.661 176.600 -0.254 0.000 0.982 17 E CA -0.217 56.090 56.400 -0.155 0.000 1.217 17 E CB -0.155 29.455 29.700 -0.149 0.000 1.123 17 E HN 0.028 nan 8.360 nan 0.000 0.457 18 N N 0.959 119.542 118.700 -0.194 0.000 2.599 18 N HA 0.145 4.894 4.740 0.015 0.000 0.283 18 N C -2.476 172.892 175.510 -0.236 0.000 1.160 18 N CA -1.901 50.998 53.050 -0.252 0.000 0.869 18 N CB 1.531 39.881 38.487 -0.228 0.000 1.448 18 N HN -0.201 nan 8.380 nan 0.000 0.535 19 P HA 0.125 nan 4.420 nan 0.000 0.237 19 P C 1.012 178.080 177.300 -0.387 0.000 1.178 19 P CA 0.522 63.312 63.100 -0.517 0.000 0.766 19 P CB 0.140 31.106 31.700 -1.224 0.000 0.876 20 G N -0.567 108.050 108.800 -0.305 0.000 2.777 20 G HA2 0.068 4.037 3.960 0.015 0.000 0.211 20 G HA3 0.068 4.037 3.960 0.015 0.000 0.211 20 G C 0.235 175.057 174.900 -0.130 0.000 1.149 20 G CA 0.185 45.155 45.100 -0.216 0.000 0.785 20 G HN 0.188 nan 8.290 nan 0.000 0.536 21 V N 1.931 121.783 119.914 -0.103 0.000 2.304 21 V HA 0.287 4.415 4.120 0.015 0.000 0.278 21 V C 0.824 176.965 176.094 0.079 0.000 1.018 21 V CA 0.093 62.380 62.300 -0.021 0.000 0.814 21 V CB 1.106 32.897 31.823 -0.053 0.000 1.021 21 V HN 0.318 nan 8.190 nan 0.000 0.440 22 T N 0.701 115.304 114.554 0.081 0.000 3.054 22 T HA 0.388 4.747 4.350 0.015 0.000 0.255 22 T C 0.209 174.976 174.700 0.111 0.000 1.035 22 T CA -0.068 62.096 62.100 0.107 0.000 0.941 22 T CB 0.187 69.067 68.868 0.021 0.000 1.026 22 T HN 0.704 nan 8.240 nan 0.000 0.533 23 Q N 0.157 120.072 119.800 0.192 0.000 2.721 23 Q HA 0.655 5.004 4.340 0.015 0.000 0.282 23 Q C -2.234 173.922 176.000 0.260 0.000 0.932 23 Q CA -1.026 54.880 55.803 0.172 0.000 0.816 23 Q CB 0.793 29.546 28.738 0.024 0.000 1.506 23 Q HN 0.207 nan 8.270 nan 0.000 0.399 24 L N 1.773 123.184 121.223 0.313 0.000 2.436 24 L HA 0.628 4.977 4.340 0.015 0.000 0.268 24 L C -0.512 176.498 176.870 0.234 0.000 0.974 24 L CA -0.913 54.102 54.840 0.292 0.000 0.826 24 L CB 1.892 44.237 42.059 0.477 0.000 1.291 24 L HN 0.853 nan 8.230 nan 0.000 0.406 25 N N 0.788 119.588 118.700 0.166 0.000 2.800 25 N HA -0.205 4.544 4.740 0.015 0.000 0.250 25 N C 0.150 175.754 175.510 0.158 0.000 1.078 25 N CA 0.829 53.965 53.050 0.143 0.000 0.804 25 N CB -0.823 37.697 38.487 0.056 0.000 1.135 25 N HN 0.654 nan 8.380 nan 0.000 0.565 26 R N 0.978 121.499 120.500 0.035 0.000 2.441 26 R HA 0.405 4.754 4.340 0.015 0.000 0.284 26 R C 0.496 176.667 176.300 -0.214 0.000 1.070 26 R CA -0.373 55.546 56.100 -0.302 0.000 1.047 26 R CB 0.549 30.645 30.300 -0.340 0.000 1.016 26 R HN 0.121 nan 8.270 nan 0.000 0.477 27 L N 3.015 124.072 121.223 -0.276 0.000 2.453 27 L HA 0.298 4.647 4.340 0.015 0.000 0.261 27 L C 0.721 177.537 176.870 -0.091 0.000 1.179 27 L CA -0.528 54.241 54.840 -0.118 0.000 0.813 27 L CB 0.793 42.809 42.059 -0.073 0.000 1.110 27 L HN 0.779 nan 8.230 nan 0.000 0.466 28 A N 1.367 124.174 122.820 -0.022 0.000 2.466 28 A HA 0.490 4.819 4.320 0.015 0.000 0.238 28 A C 0.279 177.872 177.584 0.015 0.000 1.074 28 A CA 0.098 52.132 52.037 -0.005 0.000 0.774 28 A CB 0.159 19.177 19.000 0.030 0.000 1.015 28 A HN 0.802 nan 8.150 nan 0.000 0.498 29 A N 0.873 123.656 122.820 -0.062 0.000 2.287 29 A HA 0.733 5.062 4.320 0.015 0.000 0.273 29 A C 0.029 177.526 177.584 -0.145 0.000 1.091 29 A CA 0.375 52.294 52.037 -0.196 0.000 0.817 29 A CB 0.060 18.935 19.000 -0.210 0.000 1.069 29 A HN 1.916 nan 8.150 nan 0.000 0.492 30 H N -2.563 116.344 119.070 -0.270 0.000 2.935 30 H HA 0.612 5.177 4.556 0.015 0.000 0.297 30 H C -3.393 171.652 175.328 -0.471 0.000 1.423 30 H CA -1.730 54.096 56.048 -0.369 0.000 1.161 30 H CB 0.132 29.547 29.762 -0.579 0.000 1.841 30 H HN 0.390 nan 8.280 nan 0.000 0.506 31 P HA 0.233 nan 4.420 nan 0.000 0.274 31 P C -2.587 174.569 177.300 -0.240 0.000 1.256 31 P CA -1.545 61.363 63.100 -0.321 0.000 0.795 31 P CB -0.241 31.207 31.700 -0.421 0.000 1.038 32 P HA 0.065 nan 4.420 nan 0.000 0.263 32 P C -0.748 176.780 177.300 0.381 0.000 1.195 32 P CA 1.143 64.296 63.100 0.087 0.000 0.762 32 P CB -0.103 31.681 31.700 0.141 0.000 0.799 33 F N 1.386 121.434 119.950 0.164 0.000 2.556 33 F HA 0.599 5.134 4.527 0.015 0.000 0.327 33 F C 0.933 176.659 175.800 -0.123 0.000 1.059 33 F CA -1.044 57.000 58.000 0.073 0.000 0.953 33 F CB 2.231 41.239 39.000 0.013 0.000 1.227 33 F HN 0.204 nan 8.300 nan 0.000 0.478 34 A N 0.382 123.112 122.820 -0.150 0.000 2.606 34 A HA 0.242 4.571 4.320 0.015 0.000 0.230 34 A C 0.602 177.900 177.584 -0.477 0.000 1.279 34 A CA 0.372 52.075 52.037 -0.556 0.000 1.010 34 A CB -0.034 18.080 19.000 -1.477 0.000 1.271 34 A HN 0.737 nan 8.150 nan 0.000 0.584 35 S N 0.269 115.802 115.700 -0.277 0.000 3.550 35 S HA -0.147 4.331 4.470 0.015 0.000 0.372 35 S C -0.045 174.508 174.600 -0.078 0.000 0.966 35 S CA 0.406 58.497 58.200 -0.181 0.000 1.229 35 S CB -1.515 61.567 63.200 -0.196 0.000 0.917 35 S HN 0.483 nan 8.310 nan 0.000 0.496 36 W N 1.486 122.769 121.300 -0.027 0.000 2.158 36 W HA 0.258 4.927 4.660 0.014 0.000 0.339 36 W C 1.291 177.801 176.519 -0.015 0.000 1.294 36 W CA -0.511 56.831 57.345 -0.005 0.000 1.231 36 W CB 0.311 29.764 29.460 -0.012 0.000 1.143 36 W HN 0.306 nan 8.180 nan 0.000 0.571 37 R N 2.069 122.716 120.500 0.245 0.000 2.577 37 R HA 0.086 4.435 4.340 0.015 0.000 0.344 37 R C -0.095 176.278 176.300 0.120 0.000 1.037 37 R CA -0.127 56.058 56.100 0.142 0.000 1.102 37 R CB -0.183 30.185 30.300 0.113 0.000 1.313 37 R HN 0.351 nan 8.270 nan 0.000 0.561 38 N N 0.069 118.854 118.700 0.141 0.000 2.500 38 N HA 0.117 4.866 4.740 0.015 0.000 0.291 38 N C -0.058 175.435 175.510 -0.028 0.000 1.092 38 N CA -0.001 53.081 53.050 0.053 0.000 0.890 38 N CB 1.798 40.317 38.487 0.053 0.000 1.466 38 N HN -0.259 nan 8.380 nan 0.000 0.507 39 S N 2.328 117.992 115.700 -0.061 0.000 2.383 39 S HA -0.177 4.302 4.470 0.015 0.000 0.229 39 S C 1.398 175.843 174.600 -0.257 0.000 1.030 39 S CA 1.316 59.434 58.200 -0.136 0.000 1.002 39 S CB 0.001 63.148 63.200 -0.088 0.000 0.829 39 S HN 0.752 nan 8.310 nan 0.000 0.467 40 E N 1.389 121.457 120.200 -0.219 0.000 2.150 40 E HA -0.116 4.243 4.350 0.015 0.000 0.193 40 E C 1.869 178.274 176.600 -0.327 0.000 0.985 40 E CA 1.032 57.261 56.400 -0.284 0.000 0.814 40 E CB -0.123 29.465 29.700 -0.186 0.000 0.752 40 E HN 0.272 nan 8.360 nan 0.000 0.466 41 E N 0.151 120.185 120.200 -0.278 0.000 2.106 41 E HA -0.109 4.250 4.350 0.015 0.000 0.192 41 E C 1.976 178.093 176.600 -0.805 0.000 0.984 41 E CA 1.077 57.291 56.400 -0.310 0.000 0.806 41 E CB -0.458 29.204 29.700 -0.063 0.000 0.750 41 E HN 0.382 nan 8.360 nan 0.000 0.458 42 A N 1.559 123.659 122.820 -1.201 0.000 1.902 42 A HA -0.193 4.136 4.320 0.015 0.000 0.217 42 A C 2.236 179.188 177.584 -1.052 0.000 1.181 42 A CA 1.623 52.520 52.037 -1.899 0.000 0.623 42 A CB -0.489 17.882 19.000 -1.048 0.000 0.818 42 A HN 0.133 nan 8.150 nan 0.000 0.443 43 R N -0.179 119.901 120.500 -0.701 0.000 2.083 43 R HA -0.143 4.206 4.340 0.015 0.000 0.237 43 R C 2.040 178.061 176.300 -0.465 0.000 1.137 43 R CA 2.152 57.887 56.100 -0.609 0.000 0.951 43 R CB -0.508 29.304 30.300 -0.813 0.000 0.851 43 R HN 0.629 nan 8.270 nan 0.000 0.434 44 T N -2.649 111.659 114.554 -0.410 0.000 3.148 44 T HA 0.028 4.387 4.350 0.015 0.000 0.253 44 T C 0.357 174.965 174.700 -0.154 0.000 1.134 44 T CA 0.647 62.601 62.100 -0.244 0.000 1.051 44 T CB 0.056 68.813 68.868 -0.185 0.000 0.959 44 T HN 0.388 nan 8.240 nan 0.000 0.525 45 D N 0.513 120.782 120.400 -0.217 0.000 3.041 45 D HA -0.156 4.493 4.640 0.015 0.000 0.220 45 D C 0.138 176.568 176.300 0.216 0.000 1.157 45 D CA 0.489 54.514 54.000 0.042 0.000 0.876 45 D CB -1.125 39.740 40.800 0.108 0.000 1.107 45 D HN 0.596 nan 8.370 nan 0.000 0.422 46 R N 0.027 120.620 120.500 0.155 0.000 2.649 46 R HA 0.504 4.853 4.340 0.015 0.000 0.270 46 R C -2.134 174.448 176.300 0.470 0.000 1.105 46 R CA -1.279 54.965 56.100 0.240 0.000 1.193 46 R CB 0.074 30.452 30.300 0.131 0.000 1.120 46 R HN 0.055 nan 8.270 nan 0.000 0.561 47 P HA -0.024 nan 4.420 nan 0.000 0.269 47 P C -0.824 176.627 177.300 0.252 0.000 1.215 47 P CA 0.179 63.415 63.100 0.227 0.000 0.780 47 P CB 0.763 32.545 31.700 0.137 0.000 0.898 48 S N 1.114 116.827 115.700 0.021 0.000 2.433 48 S HA 0.135 4.614 4.470 0.015 0.000 0.310 48 S C 0.893 175.510 174.600 0.030 0.000 1.097 48 S CA -0.457 57.695 58.200 -0.079 0.000 1.103 48 S CB 0.326 63.211 63.200 -0.525 0.000 0.992 48 S HN 0.301 nan 8.310 nan 0.000 0.469 49 Q N 2.302 122.166 119.800 0.107 0.000 2.437 49 Q HA -0.033 4.316 4.340 0.015 0.000 0.210 49 Q C 1.092 177.248 176.000 0.261 0.000 0.972 49 Q CA 0.764 56.658 55.803 0.151 0.000 0.903 49 Q CB 0.114 28.943 28.738 0.151 0.000 0.967 49 Q HN 0.685 nan 8.270 nan 0.000 0.486 50 Q N -0.110 119.810 119.800 0.200 0.000 2.403 50 Q HA 0.055 4.404 4.340 0.015 0.000 0.203 50 Q C -0.070 176.027 176.000 0.163 0.000 0.932 50 Q CA 0.304 56.254 55.803 0.244 0.000 0.945 50 Q CB 0.349 29.118 28.738 0.051 0.000 1.045 50 Q HN 0.153 nan 8.270 nan 0.000 0.511 51 L N 0.719 122.008 121.223 0.111 0.000 2.342 51 L HA 0.398 4.747 4.340 0.015 0.000 0.276 51 L C -1.068 175.869 176.870 0.111 0.000 0.997 51 L CA -0.264 54.616 54.840 0.067 0.000 0.838 51 L CB 1.250 43.265 42.059 -0.072 0.000 1.224 51 L HN -0.184 nan 8.230 nan 0.000 0.416 52 R N 2.549 123.144 120.500 0.159 0.000 2.637 52 R HA 0.601 4.950 4.340 0.015 0.000 0.291 52 R C -0.701 175.633 176.300 0.057 0.000 0.963 52 R CA -0.749 55.417 56.100 0.109 0.000 0.901 52 R CB 2.133 32.512 30.300 0.131 0.000 1.160 52 R HN 0.678 nan 8.270 nan 0.000 0.457 53 S N 2.174 117.899 115.700 0.040 0.000 2.537 53 S HA 0.260 4.739 4.470 0.015 0.000 0.275 53 S C 0.632 175.253 174.600 0.036 0.000 1.272 53 S CA -0.617 57.600 58.200 0.028 0.000 1.050 53 S CB 0.523 63.745 63.200 0.038 0.000 0.961 53 S HN 0.553 nan 8.310 nan 0.000 0.496 54 L N 3.634 124.882 121.223 0.041 0.000 2.741 54 L HA 0.288 4.637 4.340 0.015 0.000 0.237 54 L C 0.230 177.282 176.870 0.302 0.000 1.178 54 L CA -0.415 54.489 54.840 0.107 0.000 0.973 54 L CB -0.423 41.676 42.059 0.068 0.000 1.255 54 L HN 0.516 nan 8.230 nan 0.000 0.498 55 N N 1.321 120.133 118.700 0.186 0.000 2.416 55 N HA 0.438 5.186 4.740 0.015 0.000 0.246 55 N C 0.682 176.331 175.510 0.232 0.000 1.260 55 N CA 1.077 54.235 53.050 0.180 0.000 0.897 55 N CB 1.092 39.618 38.487 0.066 0.000 1.110 55 N HN 0.310 nan 8.380 nan 0.000 0.439 56 G N 0.393 109.345 108.800 0.253 0.000 2.247 56 G HA2 -0.091 3.878 3.960 0.015 0.000 0.229 56 G HA3 -0.091 3.878 3.960 0.015 0.000 0.229 56 G C -1.519 173.595 174.900 0.356 0.000 1.345 56 G CA -0.806 44.434 45.100 0.232 0.000 1.100 56 G HN 0.476 nan 8.290 nan 0.000 0.473 57 E N 0.183 120.559 120.200 0.292 0.000 2.223 57 E HA 0.441 4.800 4.350 0.015 0.000 0.282 57 E C -0.880 175.970 176.600 0.418 0.000 1.046 57 E CA -0.103 56.487 56.400 0.318 0.000 0.857 57 E CB 0.916 30.719 29.700 0.172 0.000 1.055 57 E HN 0.349 nan 8.360 nan 0.000 0.409 58 W N 1.726 123.120 121.300 0.157 0.000 2.869 58 W HA 0.410 5.079 4.660 0.015 0.000 0.345 58 W C 0.220 176.868 176.519 0.215 0.000 1.191 58 W CA -0.731 56.738 57.345 0.208 0.000 1.104 58 W CB 0.751 30.393 29.460 0.304 0.000 1.471 58 W HN 0.178 nan 8.180 nan 0.000 0.612 59 R N 1.382 122.175 120.500 0.488 0.000 2.460 59 R HA 0.594 4.943 4.340 0.015 0.000 0.303 59 R C -1.513 175.039 176.300 0.420 0.000 0.968 59 R CA -0.881 55.434 56.100 0.357 0.000 0.889 59 R CB 1.501 31.951 30.300 0.251 0.000 1.123 59 R HN 0.470 nan 8.270 nan 0.000 0.455 60 F N 0.452 120.440 119.950 0.064 0.000 2.601 60 F HA 0.669 5.205 4.527 0.015 0.000 0.309 60 F C -1.547 174.089 175.800 -0.273 0.000 1.089 60 F CA -0.637 57.256 58.000 -0.178 0.000 0.940 60 F CB 2.092 40.867 39.000 -0.375 0.000 1.273 60 F HN 0.621 nan 8.300 nan 0.000 0.450 61 A N 4.086 126.083 122.820 -1.372 0.000 2.455 61 A HA 0.567 4.896 4.320 0.015 0.000 0.300 61 A C -2.441 174.089 177.584 -1.758 0.000 1.040 61 A CA -0.510 50.804 52.037 -1.205 0.000 0.697 61 A CB 0.711 19.277 19.000 -0.724 0.000 1.265 61 A HN 0.952 nan 8.150 nan 0.000 0.407 62 W N 2.573 122.955 121.300 -1.529 0.000 2.496 62 W HA 0.759 5.428 4.660 0.015 0.000 0.327 62 W C -1.767 174.100 176.519 -1.086 0.000 1.086 62 W CA -0.360 56.262 57.345 -1.205 0.000 1.222 62 W CB 1.079 30.129 29.460 -0.683 0.000 1.304 62 W HN 0.506 nan 8.180 nan 0.000 0.547 63 F N 5.895 125.095 119.950 -1.251 0.000 2.588 63 F HA 0.374 4.910 4.527 0.015 0.000 0.314 63 F C -1.290 173.581 175.800 -1.549 0.000 1.069 63 F CA -2.149 55.252 58.000 -0.999 0.000 0.931 63 F CB 1.859 40.467 39.000 -0.655 0.000 1.260 63 F HN 0.200 nan 8.300 nan 0.000 0.465 64 P HA 0.085 nan 4.420 nan 0.000 0.225 64 P C -0.353 176.832 177.300 -0.191 0.000 1.156 64 P CA 0.926 63.808 63.100 -0.364 0.000 0.787 64 P CB 0.626 32.370 31.700 0.073 0.000 0.802 65 A N -0.911 121.800 122.820 -0.181 0.000 2.608 65 A HA 0.527 4.856 4.320 0.015 0.000 0.292 65 A C -2.424 175.050 177.584 -0.184 0.000 1.066 65 A CA -1.044 50.926 52.037 -0.111 0.000 0.676 65 A CB 0.531 19.529 19.000 -0.003 0.000 1.277 65 A HN -0.281 nan 8.150 nan 0.000 0.413 66 P HA -0.094 nan 4.420 nan 0.000 0.218 66 P C 0.681 177.892 177.300 -0.147 0.000 1.149 66 P CA 1.426 64.399 63.100 -0.212 0.000 0.817 66 P CB 0.217 31.779 31.700 -0.232 0.000 0.785 67 E N 0.237 120.409 120.200 -0.046 0.000 2.333 67 E HA -0.075 4.284 4.350 0.015 0.000 0.198 67 E C 1.958 178.478 176.600 -0.134 0.000 1.007 67 E CA 1.236 57.611 56.400 -0.042 0.000 0.845 67 E CB -0.970 28.738 29.700 0.015 0.000 0.766 67 E HN 0.267 nan 8.360 nan 0.000 0.507 68 A N 0.267 122.956 122.820 -0.218 0.000 2.251 68 A HA 0.117 4.446 4.320 0.015 0.000 0.209 68 A C 0.649 177.824 177.584 -0.682 0.000 1.187 68 A CA -0.183 51.684 52.037 -0.283 0.000 0.823 68 A CB 0.315 19.246 19.000 -0.116 0.000 0.846 68 A HN 0.042 nan 8.150 nan 0.000 0.486 69 V N 3.125 122.538 119.914 -0.835 0.000 2.470 69 V HA 0.200 4.329 4.120 0.015 0.000 0.276 69 V C -2.205 173.558 176.094 -0.552 0.000 1.040 69 V CA -1.419 60.196 62.300 -1.142 0.000 1.008 69 V CB 0.647 31.917 31.823 -0.922 0.000 0.990 69 V HN 0.307 nan 8.190 nan 0.000 0.477 70 P HA 0.262 nan 4.420 nan 0.000 0.280 70 P C 0.335 177.595 177.300 -0.068 0.000 1.244 70 P CA -0.377 62.626 63.100 -0.161 0.000 0.784 70 P CB 1.239 32.899 31.700 -0.066 0.000 0.913 71 E N 1.284 121.446 120.200 -0.064 0.000 2.209 71 E HA -0.174 4.185 4.350 0.015 0.000 0.196 71 E C 1.882 178.455 176.600 -0.046 0.000 0.993 71 E CA 1.673 58.037 56.400 -0.060 0.000 0.819 71 E CB -0.616 29.047 29.700 -0.062 0.000 0.745 71 E HN 0.557 nan 8.360 nan 0.000 0.477 72 S N -0.634 115.060 115.700 -0.009 0.000 2.419 72 S HA -0.208 4.271 4.470 0.015 0.000 0.233 72 S C 1.868 176.477 174.600 0.016 0.000 1.016 72 S CA 0.887 59.087 58.200 -0.000 0.000 0.974 72 S CB -0.714 62.498 63.200 0.021 0.000 0.786 72 S HN 0.566 nan 8.310 nan 0.000 0.492 73 W N 2.243 123.456 121.300 -0.145 0.000 2.364 73 W HA 0.023 4.691 4.660 0.015 0.000 0.281 73 W C 1.607 178.023 176.519 -0.172 0.000 1.219 73 W CA 0.938 58.200 57.345 -0.138 0.000 1.220 73 W CB -0.366 28.997 29.460 -0.161 0.000 1.127 73 W HN 0.290 nan 8.180 nan 0.000 0.556 74 L N 0.181 121.142 121.223 -0.438 0.000 2.083 74 L HA -0.176 4.173 4.340 0.015 0.000 0.209 74 L C 2.308 178.934 176.870 -0.408 0.000 1.083 74 L CA 1.863 56.306 54.840 -0.662 0.000 0.752 74 L CB -0.741 40.970 42.059 -0.581 0.000 0.899 74 L HN -0.050 nan 8.230 nan 0.000 0.433 75 E N -1.035 119.022 120.200 -0.238 0.000 2.216 75 E HA -0.018 4.341 4.350 0.015 0.000 0.192 75 E C 0.204 176.732 176.600 -0.121 0.000 0.973 75 E CA 0.398 56.715 56.400 -0.139 0.000 0.851 75 E CB 0.518 30.171 29.700 -0.079 0.000 0.804 75 E HN 0.570 nan 8.360 nan 0.000 0.477 76 C N -0.996 118.235 119.300 -0.114 0.000 3.239 76 C HA 0.540 5.009 4.460 0.015 0.000 0.317 76 C C -0.452 174.528 174.990 -0.017 0.000 1.310 76 C CA -1.750 57.229 59.018 -0.065 0.000 1.371 76 C CB 0.729 28.451 27.740 -0.029 0.000 1.714 76 C HN 0.196 nan 8.230 nan 0.000 0.473 77 D N 0.731 121.138 120.400 0.011 0.000 2.571 77 D HA 0.242 4.891 4.640 0.015 0.000 0.231 77 D C -0.218 176.154 176.300 0.120 0.000 1.133 77 D CA 0.522 54.572 54.000 0.084 0.000 0.862 77 D CB 0.489 41.328 40.800 0.066 0.000 1.179 77 D HN 0.589 nan 8.370 nan 0.000 0.474 78 L N 5.862 127.197 121.223 0.186 0.000 2.290 78 L HA 0.256 4.605 4.340 0.015 0.000 0.284 78 L C -1.160 175.763 176.870 0.088 0.000 1.078 78 L CA -1.539 53.387 54.840 0.142 0.000 0.815 78 L CB 1.281 43.427 42.059 0.145 0.000 1.162 78 L HN 0.515 nan 8.230 nan 0.000 0.435 79 P HA -0.156 nan 4.420 nan 0.000 0.218 79 P C 0.630 177.952 177.300 0.037 0.000 1.149 79 P CA 1.115 64.242 63.100 0.046 0.000 0.817 79 P CB 0.222 31.943 31.700 0.036 0.000 0.785 80 E N -0.267 119.949 120.200 0.027 0.000 2.511 80 E HA 0.194 4.553 4.350 0.015 0.000 0.196 80 E C 1.043 177.638 176.600 -0.007 0.000 1.066 80 E CA 0.059 56.462 56.400 0.004 0.000 0.871 80 E CB -0.758 28.930 29.700 -0.020 0.000 0.863 80 E HN 0.219 nan 8.360 nan 0.000 0.520 81 A N 1.009 123.833 122.820 0.007 0.000 2.346 81 A HA 0.224 4.553 4.320 0.015 0.000 0.252 81 A C -0.030 177.591 177.584 0.062 0.000 1.089 81 A CA -0.359 51.678 52.037 -0.000 0.000 0.797 81 A CB 0.376 19.404 19.000 0.046 0.000 1.047 81 A HN -0.040 nan 8.150 nan 0.000 0.494 82 D N -0.531 119.935 120.400 0.110 0.000 2.340 82 D HA 0.514 5.163 4.640 0.015 0.000 0.243 82 D C -0.639 175.763 176.300 0.170 0.000 0.988 82 D CA 0.027 54.115 54.000 0.146 0.000 0.959 82 D CB 1.455 42.395 40.800 0.234 0.000 1.226 82 D HN 0.385 nan 8.370 nan 0.000 0.509 83 T N 0.563 115.202 114.554 0.142 0.000 2.744 83 T HA 0.495 4.854 4.350 0.015 0.000 0.291 83 T C 0.094 174.878 174.700 0.140 0.000 0.957 83 T CA -0.538 61.656 62.100 0.157 0.000 1.002 83 T CB 0.617 69.555 68.868 0.115 0.000 0.919 83 T HN 0.254 nan 8.240 nan 0.000 0.468 84 V N 1.430 121.460 119.914 0.194 0.000 3.102 84 V HA 0.794 4.923 4.120 0.015 0.000 0.312 84 V C -0.283 175.936 176.094 0.208 0.000 1.135 84 V CA -1.033 61.343 62.300 0.128 0.000 1.022 84 V CB 1.709 33.598 31.823 0.111 0.000 1.056 84 V HN 0.514 nan 8.190 nan 0.000 0.436 85 V N 2.335 122.350 119.914 0.169 0.000 2.649 85 V HA 0.492 4.621 4.120 0.015 0.000 0.292 85 V C 0.072 176.258 176.094 0.153 0.000 1.055 85 V CA -0.023 62.379 62.300 0.170 0.000 1.023 85 V CB 1.373 33.262 31.823 0.110 0.000 0.992 85 V HN 0.760 nan 8.190 nan 0.000 0.480 86 V N 6.998 126.933 119.914 0.034 0.000 2.588 86 V HA 0.460 4.589 4.120 0.015 0.000 0.304 86 V C -2.299 173.702 176.094 -0.156 0.000 1.042 86 V CA -1.716 60.466 62.300 -0.197 0.000 0.877 86 V CB 2.541 33.911 31.823 -0.754 0.000 0.996 86 V HN 0.763 nan 8.190 nan 0.000 0.425 87 P HA 0.432 nan 4.420 nan 0.000 0.274 87 P C -0.856 176.373 177.300 -0.118 0.000 1.231 87 P CA -0.103 62.886 63.100 -0.186 0.000 0.790 87 P CB 1.263 32.864 31.700 -0.165 0.000 0.951 88 S N 0.376 116.010 115.700 -0.110 0.000 2.587 88 S HA 0.425 4.904 4.470 0.015 0.000 0.269 88 S C -1.207 173.308 174.600 -0.141 0.000 1.154 88 S CA -1.025 57.082 58.200 -0.154 0.000 0.824 88 S CB 0.597 63.641 63.200 -0.260 0.000 1.118 88 S HN 0.341 nan 8.310 nan 0.000 0.462 89 N N 0.817 119.373 118.700 -0.239 0.000 2.421 89 N HA 0.445 5.194 4.740 0.015 0.000 0.285 89 N C 0.513 175.857 175.510 -0.278 0.000 1.027 89 N CA -0.830 52.059 53.050 -0.267 0.000 0.918 89 N CB 0.737 39.039 38.487 -0.309 0.000 1.152 89 N HN 0.871 nan 8.380 nan 0.000 0.485 90 W N 2.248 123.420 121.300 -0.213 0.000 2.465 90 W HA -0.034 4.635 4.660 0.015 0.000 0.268 90 W C 0.996 177.500 176.519 -0.025 0.000 1.242 90 W CA 0.577 57.803 57.345 -0.197 0.000 1.248 90 W CB -0.320 29.021 29.460 -0.198 0.000 1.118 90 W HN 0.511 nan 8.180 nan 0.000 0.587 91 Q N 0.587 120.368 119.800 -0.031 0.000 2.226 91 Q HA -0.108 4.241 4.340 0.015 0.000 0.204 91 Q C 2.138 178.087 176.000 -0.084 0.000 0.975 91 Q CA 1.733 57.516 55.803 -0.034 0.000 0.866 91 Q CB -0.539 28.055 28.738 -0.241 0.000 0.915 91 Q HN 0.289 nan 8.270 nan 0.000 0.440 92 M N -1.001 118.510 119.600 -0.147 0.000 2.557 92 M HA -0.044 4.445 4.480 0.015 0.000 0.259 92 M C 0.708 177.056 176.300 0.080 0.000 1.086 92 M CA 1.335 56.566 55.300 -0.114 0.000 1.096 92 M CB -0.515 31.994 32.600 -0.150 0.000 1.424 92 M HN 0.376 nan 8.290 nan 0.000 0.488 93 H N -0.722 118.375 119.070 0.045 0.000 2.551 93 H HA 0.263 4.828 4.556 0.015 0.000 0.271 93 H C 1.208 176.440 175.328 -0.161 0.000 0.984 93 H CA 0.102 56.164 56.048 0.024 0.000 1.164 93 H CB 0.433 30.335 29.762 0.233 0.000 1.437 93 H HN 0.557 nan 8.280 nan 0.000 0.550 94 G N 0.649 109.458 108.800 0.015 0.000 2.148 94 G HA2 -0.366 3.603 3.960 0.015 0.000 0.254 94 G HA3 -0.366 3.603 3.960 0.015 0.000 0.254 94 G C 0.351 175.095 174.900 -0.260 0.000 0.981 94 G CA 0.397 45.423 45.100 -0.124 0.000 0.670 94 G HN 0.485 nan 8.290 nan 0.000 0.528 95 Y N 1.412 121.713 120.300 0.001 0.000 2.314 95 Y HA 0.255 4.814 4.550 0.015 0.000 0.293 95 Y C 1.676 177.298 175.900 -0.463 0.000 1.129 95 Y CA 1.546 59.505 58.100 -0.235 0.000 1.201 95 Y CB 0.245 38.623 38.460 -0.137 0.000 0.999 95 Y HN 0.658 nan 8.280 nan 0.000 0.541 96 D N -1.905 118.529 120.400 0.057 0.000 2.692 96 D HA 0.493 5.142 4.640 0.015 0.000 0.303 96 D C -1.243 175.130 176.300 0.121 0.000 1.278 96 D CA -0.876 53.167 54.000 0.072 0.000 0.852 96 D CB 0.760 41.724 40.800 0.272 0.000 1.375 96 D HN -0.073 nan 8.370 nan 0.000 0.453 97 A N 0.006 122.911 122.820 0.142 0.000 2.310 97 A HA 0.719 5.048 4.320 0.015 0.000 0.299 97 A C -2.356 175.250 177.584 0.036 0.000 1.147 97 A CA -1.252 50.843 52.037 0.098 0.000 0.818 97 A CB 0.272 19.397 19.000 0.207 0.000 1.096 97 A HN 0.546 nan 8.150 nan 0.000 0.495 98 P HA 0.413 nan 4.420 nan 0.000 0.274 98 P C -0.893 176.575 177.300 0.280 0.000 1.231 98 P CA 0.082 63.117 63.100 -0.108 0.000 0.790 98 P CB 0.804 32.173 31.700 -0.551 0.000 0.951 99 I N 2.246 123.082 120.570 0.443 0.000 2.433 99 I HA 0.238 4.417 4.170 0.015 0.000 0.292 99 I C -0.489 175.829 176.117 0.336 0.000 1.001 99 I CA -0.984 60.574 61.300 0.429 0.000 1.119 99 I CB 1.645 39.827 38.000 0.303 0.000 1.289 99 I HN 0.298 nan 8.210 nan 0.000 0.438 100 Y N 6.210 126.451 120.300 -0.098 0.000 2.593 100 Y HA 0.444 5.003 4.550 0.015 0.000 0.331 100 Y C -0.179 175.561 175.900 -0.268 0.000 0.986 100 Y CA -0.421 57.324 58.100 -0.592 0.000 1.262 100 Y CB 0.943 38.495 38.460 -1.515 0.000 1.098 100 Y HN 0.522 nan 8.280 nan 0.000 0.506 101 T N 4.900 118.951 114.554 -0.838 0.000 2.856 101 T HA 0.268 4.627 4.350 0.015 0.000 0.283 101 T C 0.265 174.479 174.700 -0.809 0.000 1.008 101 T CA -0.547 61.105 62.100 -0.746 0.000 0.997 101 T CB 1.104 69.765 68.868 -0.345 0.000 0.992 101 T HN 0.759 nan 8.240 nan 0.000 0.454 102 N N 2.610 120.903 118.700 -0.679 0.000 2.349 102 N HA 0.082 4.831 4.740 0.015 0.000 0.202 102 N C 1.562 176.862 175.510 -0.349 0.000 1.041 102 N CA 1.254 54.042 53.050 -0.437 0.000 0.970 102 N CB -0.585 37.673 38.487 -0.382 0.000 1.173 102 N HN 0.388 nan 8.380 nan 0.000 0.493 103 V N 0.555 120.246 119.914 -0.372 0.000 2.436 103 V HA 0.111 4.240 4.120 0.015 0.000 0.240 103 V C 0.377 176.251 176.094 -0.368 0.000 1.040 103 V CA 0.871 62.954 62.300 -0.362 0.000 1.052 103 V CB -0.688 30.920 31.823 -0.358 0.000 0.707 103 V HN 0.330 nan 8.190 nan 0.000 0.469 104 T N 1.082 115.457 114.554 -0.299 0.000 2.908 104 T HA 0.104 4.463 4.350 0.015 0.000 0.301 104 T C -0.324 174.250 174.700 -0.209 0.000 1.019 104 T CA 0.296 62.268 62.100 -0.214 0.000 1.152 104 T CB -0.229 68.542 68.868 -0.162 0.000 0.966 104 T HN 0.177 nan 8.240 nan 0.000 0.540 105 Y N 4.500 124.708 120.300 -0.152 0.000 2.550 105 Y HA 0.122 4.681 4.550 0.015 0.000 0.343 105 Y C -0.839 174.937 175.900 -0.206 0.000 1.245 105 Y CA -1.626 56.367 58.100 -0.178 0.000 1.462 105 Y CB 0.379 38.719 38.460 -0.199 0.000 1.340 105 Y HN 0.507 nan 8.280 nan 0.000 0.604 106 P HA 0.041 nan 4.420 nan 0.000 0.249 106 P C -0.448 176.631 177.300 -0.369 0.000 1.229 106 P CA 0.953 63.948 63.100 -0.176 0.000 0.788 106 P CB 0.008 31.642 31.700 -0.110 0.000 1.072 107 I N -5.620 114.725 120.570 -0.376 0.000 3.042 107 I HA 0.500 4.679 4.170 0.015 0.000 0.310 107 I C -0.626 175.359 176.117 -0.221 0.000 1.117 107 I CA -1.229 59.815 61.300 -0.426 0.000 1.003 107 I CB 1.781 39.377 38.000 -0.673 0.000 1.228 107 I HN -0.479 nan 8.210 nan 0.000 0.443 108 T N 2.881 117.343 114.554 -0.153 0.000 2.908 108 T HA 0.124 4.483 4.350 0.015 0.000 0.301 108 T C 0.193 174.869 174.700 -0.040 0.000 1.019 108 T CA -0.131 61.931 62.100 -0.062 0.000 1.152 108 T CB 0.389 69.246 68.868 -0.019 0.000 0.966 108 T HN 0.377 nan 8.240 nan 0.000 0.540 109 V N 5.191 125.096 119.914 -0.016 0.000 2.381 109 V HA 0.214 4.343 4.120 0.015 0.000 0.257 109 V C 0.715 176.860 176.094 0.084 0.000 1.057 109 V CA -0.173 62.134 62.300 0.011 0.000 1.013 109 V CB -0.184 31.631 31.823 -0.013 0.000 1.069 109 V HN 0.858 nan 8.190 nan 0.000 0.484 110 N N 6.049 124.868 118.700 0.199 0.000 2.666 110 N HA 0.254 5.003 4.740 0.015 0.000 0.253 110 N C -2.904 172.694 175.510 0.146 0.000 1.621 110 N CA -1.262 51.892 53.050 0.172 0.000 0.785 110 N CB 1.428 40.043 38.487 0.213 0.000 1.332 110 N HN 0.277 nan 8.380 nan 0.000 0.514 111 P HA 0.172 nan 4.420 nan 0.000 0.266 111 P C -2.249 174.825 177.300 -0.377 0.000 1.195 111 P CA -0.656 62.064 63.100 -0.633 0.000 0.768 111 P CB 0.616 31.845 31.700 -0.785 0.000 0.838 112 P HA 0.226 nan 4.420 nan 0.000 0.266 112 P C -0.409 176.730 177.300 -0.268 0.000 1.561 112 P CA -0.316 62.503 63.100 -0.468 0.000 1.089 112 P CB 0.042 31.447 31.700 -0.491 0.000 1.534 113 F N 0.993 121.036 119.950 0.156 0.000 2.380 113 F HA 0.324 4.861 4.527 0.015 0.000 0.325 113 F C 1.413 177.386 175.800 0.288 0.000 1.136 113 F CA -0.644 57.469 58.000 0.189 0.000 1.171 113 F CB 0.674 39.734 39.000 0.100 0.000 1.230 113 F HN -0.202 nan 8.300 nan 0.000 0.554 114 V N -1.403 118.785 119.914 0.457 0.000 3.155 114 V HA 0.701 4.830 4.120 0.015 0.000 0.313 114 V C -2.832 173.423 176.094 0.268 0.000 1.162 114 V CA -2.931 59.560 62.300 0.319 0.000 1.048 114 V CB 1.396 33.452 31.823 0.389 0.000 1.092 114 V HN 0.467 nan 8.190 nan 0.000 0.447 115 P HA 0.216 nan 4.420 nan 0.000 0.268 115 P C 0.976 178.413 177.300 0.229 0.000 1.205 115 P CA 0.471 63.660 63.100 0.148 0.000 0.771 115 P CB 0.593 32.341 31.700 0.081 0.000 0.858 116 T N -1.443 113.217 114.554 0.177 0.000 2.951 116 T HA -0.082 4.277 4.350 0.015 0.000 0.268 116 T C 0.568 175.378 174.700 0.184 0.000 1.073 116 T CA 0.790 63.004 62.100 0.191 0.000 1.134 116 T CB -0.493 68.459 68.868 0.140 0.000 0.884 116 T HN 0.385 nan 8.240 nan 0.000 0.479 117 E N 2.552 122.859 120.200 0.178 0.000 1.893 117 E HA 0.224 4.583 4.350 0.015 0.000 0.269 117 E C -0.724 176.035 176.600 0.265 0.000 1.129 117 E CA -0.377 56.135 56.400 0.186 0.000 0.904 117 E CB 0.111 29.925 29.700 0.190 0.000 1.077 117 E HN 0.215 nan 8.360 nan 0.000 0.407 118 N N 4.387 123.217 118.700 0.218 0.000 2.569 118 N HA 0.240 4.989 4.740 0.015 0.000 0.254 118 N C -2.838 172.713 175.510 0.069 0.000 1.004 118 N CA -2.490 50.725 53.050 0.275 0.000 0.904 118 N CB 1.126 39.749 38.487 0.227 0.000 1.165 118 N HN 0.042 nan 8.380 nan 0.000 0.513 119 P HA -0.001 nan 4.420 nan 0.000 0.260 119 P C -0.834 176.377 177.300 -0.148 0.000 1.172 119 P CA 0.563 63.614 63.100 -0.083 0.000 0.760 119 P CB 0.405 32.366 31.700 0.435 0.000 0.773 120 T N 2.862 117.055 114.554 -0.603 0.000 2.792 120 T HA 0.557 4.916 4.350 0.015 0.000 0.280 120 T C 0.299 174.446 174.700 -0.920 0.000 0.990 120 T CA -0.558 61.235 62.100 -0.511 0.000 0.960 120 T CB 1.511 70.133 68.868 -0.409 0.000 0.939 120 T HN 0.331 nan 8.240 nan 0.000 0.439 121 G N 1.129 109.470 108.800 -0.765 0.000 2.384 121 G HA2 0.477 4.446 3.960 0.015 0.000 0.316 121 G HA3 0.477 4.446 3.960 0.015 0.000 0.316 121 G C -0.292 174.400 174.900 -0.348 0.000 1.160 121 G CA -0.363 44.241 45.100 -0.827 0.000 0.936 121 G HN 0.864 nan 8.290 nan 0.000 0.455 122 C N 3.363 122.197 119.300 -0.777 0.000 2.223 122 C HA 0.485 4.954 4.460 0.015 0.000 0.324 122 C C -0.603 174.339 174.990 -0.079 0.000 1.196 122 C CA -0.934 57.748 59.018 -0.559 0.000 1.628 122 C CB -1.643 25.302 27.740 -1.325 0.000 2.229 122 C HN 0.635 nan 8.230 nan 0.000 0.486 123 Y N 1.979 122.566 120.300 0.478 0.000 2.387 123 Y HA 0.654 5.213 4.550 0.015 0.000 0.336 123 Y C 0.748 177.139 175.900 0.818 0.000 1.067 123 Y CA -0.219 58.282 58.100 0.668 0.000 1.114 123 Y CB 1.588 40.400 38.460 0.586 0.000 1.208 123 Y HN 0.675 nan 8.280 nan 0.000 0.458 124 S N 2.316 118.540 115.700 0.873 0.000 2.579 124 S HA 0.847 5.326 4.470 0.015 0.000 0.272 124 S C -1.954 172.735 174.600 0.149 0.000 1.141 124 S CA -0.788 57.701 58.200 0.481 0.000 0.843 124 S CB 2.248 65.604 63.200 0.259 0.000 1.122 124 S HN 0.608 nan 8.310 nan 0.000 0.468 125 L N 0.658 121.785 121.223 -0.160 0.000 2.513 125 L HA 0.707 5.056 4.340 0.015 0.000 0.261 125 L C -1.052 175.746 176.870 -0.121 0.000 0.945 125 L CA 0.126 54.704 54.840 -0.438 0.000 0.848 125 L CB 2.248 43.513 42.059 -1.324 0.000 1.334 125 L HN 0.929 nan 8.230 nan 0.000 0.407 126 T N 5.080 119.588 114.554 -0.078 0.000 2.795 126 T HA 0.768 5.127 4.350 0.015 0.000 0.282 126 T C -0.802 173.938 174.700 0.067 0.000 0.980 126 T CA 0.039 62.136 62.100 -0.004 0.000 1.012 126 T CB 0.408 69.250 68.868 -0.044 0.000 0.936 126 T HN 0.482 nan 8.240 nan 0.000 0.457 127 F N 1.296 121.172 119.950 -0.123 0.000 2.745 127 F HA 0.802 5.339 4.527 0.015 0.000 0.316 127 F C -1.124 174.629 175.800 -0.078 0.000 1.155 127 F CA -1.444 56.490 58.000 -0.110 0.000 0.937 127 F CB 1.315 40.242 39.000 -0.123 0.000 1.361 127 F HN 0.519 nan 8.300 nan 0.000 0.472 128 N N -0.170 118.462 118.700 -0.113 0.000 2.697 128 N HA 0.723 5.472 4.740 0.015 0.000 0.272 128 N C -1.541 173.942 175.510 -0.045 0.000 1.381 128 N CA -0.606 52.314 53.050 -0.217 0.000 0.797 128 N CB 2.093 40.457 38.487 -0.204 0.000 1.523 128 N HN 0.896 nan 8.380 nan 0.000 0.518 129 V N -3.886 115.962 119.914 -0.111 0.000 3.001 129 V HA 0.569 4.698 4.120 0.015 0.000 0.314 129 V C -0.362 175.536 176.094 -0.327 0.000 1.099 129 V CA -1.055 61.120 62.300 -0.208 0.000 0.989 129 V CB 1.778 33.614 31.823 0.022 0.000 1.040 129 V HN 0.854 nan 8.190 nan 0.000 0.434 130 D N 1.222 121.230 120.400 -0.654 0.000 2.472 130 D HA -0.053 4.596 4.640 0.015 0.000 0.237 130 D C 1.023 177.166 176.300 -0.260 0.000 1.141 130 D CA 0.601 54.290 54.000 -0.519 0.000 0.875 130 D CB 1.731 42.031 40.800 -0.833 0.000 1.192 130 D HN 0.934 nan 8.370 nan 0.000 0.450 131 E N 2.303 122.421 120.200 -0.137 0.000 2.114 131 E HA -0.259 4.100 4.350 0.015 0.000 0.199 131 E C 1.821 178.432 176.600 0.019 0.000 1.008 131 E CA 2.326 58.699 56.400 -0.045 0.000 0.810 131 E CB -0.321 29.360 29.700 -0.031 0.000 0.739 131 E HN 0.480 nan 8.360 nan 0.000 0.456 132 S N -0.962 114.759 115.700 0.033 0.000 2.419 132 S HA -0.155 4.323 4.470 0.015 0.000 0.233 132 S C 1.678 176.408 174.600 0.218 0.000 1.016 132 S CA 1.012 59.294 58.200 0.136 0.000 0.974 132 S CB -0.783 62.518 63.200 0.168 0.000 0.786 132 S HN 0.431 nan 8.310 nan 0.000 0.492 133 W N 1.576 122.742 121.300 -0.223 0.000 2.467 133 W HA 0.373 5.042 4.660 0.015 0.000 0.275 133 W C 1.970 178.442 176.519 -0.079 0.000 1.239 133 W CA -0.524 56.615 57.345 -0.343 0.000 1.266 133 W CB -0.897 28.327 29.460 -0.393 0.000 1.112 133 W HN 0.324 nan 8.180 nan 0.000 0.576 134 L N -0.331 120.998 121.223 0.178 0.000 2.240 134 L HA -0.107 4.242 4.340 0.015 0.000 0.211 134 L C 2.372 179.307 176.870 0.107 0.000 1.106 134 L CA 0.919 55.833 54.840 0.124 0.000 0.793 134 L CB -0.727 41.373 42.059 0.069 0.000 0.927 134 L HN -0.015 nan 8.230 nan 0.000 0.446 135 Q N -0.271 119.594 119.800 0.108 0.000 2.016 135 Q HA -0.026 4.323 4.340 0.015 0.000 0.200 135 Q C 0.266 176.331 176.000 0.108 0.000 0.978 135 Q CA 1.009 56.868 55.803 0.094 0.000 0.833 135 Q CB 0.329 29.121 28.738 0.090 0.000 0.895 135 Q HN 0.376 nan 8.270 nan 0.000 0.427 136 E N -2.110 118.184 120.200 0.155 0.000 2.449 136 E HA 0.468 4.827 4.350 0.015 0.000 0.278 136 E C -0.571 176.169 176.600 0.232 0.000 1.059 136 E CA 0.108 56.599 56.400 0.150 0.000 0.854 136 E CB 1.752 31.524 29.700 0.119 0.000 1.465 136 E HN 0.270 nan 8.360 nan 0.000 0.462 137 G N 0.983 109.842 108.800 0.099 0.000 2.796 137 G HA2 -0.222 3.747 3.960 0.015 0.000 0.571 137 G HA3 -0.222 3.747 3.960 0.015 0.000 0.571 137 G C -0.708 174.173 174.900 -0.032 0.000 1.370 137 G CA -0.141 44.931 45.100 -0.047 0.000 0.856 137 G HN 0.432 nan 8.290 nan 0.000 0.538 138 Q N -0.181 119.499 119.800 -0.200 0.000 2.325 138 Q HA 0.612 4.961 4.340 0.015 0.000 0.262 138 Q C -0.628 175.323 176.000 -0.081 0.000 0.968 138 Q CA -0.414 55.337 55.803 -0.087 0.000 0.877 138 Q CB 1.021 29.696 28.738 -0.106 0.000 1.253 138 Q HN 0.578 nan 8.270 nan 0.000 0.448 139 T N 5.524 120.113 114.554 0.058 0.000 2.756 139 T HA 0.438 4.797 4.350 0.015 0.000 0.290 139 T C -0.519 174.227 174.700 0.077 0.000 0.985 139 T CA -0.627 61.503 62.100 0.050 0.000 0.955 139 T CB 0.467 69.443 68.868 0.181 0.000 0.930 139 T HN 0.630 nan 8.240 nan 0.000 0.451 140 R N 2.920 123.440 120.500 0.033 0.000 2.873 140 R HA 0.782 5.131 4.340 0.015 0.000 0.264 140 R C -0.992 175.348 176.300 0.066 0.000 1.026 140 R CA -1.024 55.119 56.100 0.073 0.000 1.002 140 R CB 1.545 31.877 30.300 0.052 0.000 1.174 140 R HN 0.543 nan 8.270 nan 0.000 0.488 141 I N 1.785 122.413 120.570 0.096 0.000 2.493 141 I HA 0.448 4.626 4.170 0.015 0.000 0.298 141 I C -1.093 175.037 176.117 0.022 0.000 0.998 141 I CA -1.327 59.981 61.300 0.013 0.000 1.137 141 I CB 1.442 39.453 38.000 0.018 0.000 1.310 141 I HN 0.592 nan 8.210 nan 0.000 0.445 142 I N 7.276 127.760 120.570 -0.143 0.000 2.418 142 I HA 0.294 4.473 4.170 0.015 0.000 0.287 142 I C -1.315 174.626 176.117 -0.293 0.000 1.008 142 I CA -0.415 60.822 61.300 -0.105 0.000 1.104 142 I CB 1.546 39.495 38.000 -0.085 0.000 1.264 142 I HN 0.406 nan 8.210 nan 0.000 0.438 143 F N 4.536 124.474 119.950 -0.021 0.000 2.308 143 F HA 0.277 4.813 4.527 0.015 0.000 0.370 143 F C 1.293 176.995 175.800 -0.163 0.000 1.100 143 F CA -0.502 57.424 58.000 -0.123 0.000 1.108 143 F CB 0.764 39.665 39.000 -0.164 0.000 1.293 143 F HN 0.452 nan 8.300 nan 0.000 0.478 144 D N 2.313 122.639 120.400 -0.123 0.000 2.219 144 D HA 0.024 4.673 4.640 0.015 0.000 0.205 144 D C 1.030 177.172 176.300 -0.263 0.000 0.970 144 D CA 0.965 54.843 54.000 -0.205 0.000 0.851 144 D CB 0.383 40.997 40.800 -0.309 0.000 0.943 144 D HN 0.621 nan 8.370 nan 0.000 0.488 145 G N -0.397 108.195 108.800 -0.347 0.000 2.505 145 G HA2 0.439 4.408 3.960 0.015 0.000 0.292 145 G HA3 0.439 4.408 3.960 0.015 0.000 0.292 145 G C -1.468 173.229 174.900 -0.339 0.000 1.332 145 G CA -0.412 44.395 45.100 -0.488 0.000 1.286 145 G HN -0.053 nan 8.290 nan 0.000 0.606 146 V N 2.571 122.474 119.914 -0.018 0.000 2.577 146 V HA 0.542 4.671 4.120 0.015 0.000 0.303 146 V C -0.824 175.357 176.094 0.144 0.000 1.042 146 V CA -1.158 61.122 62.300 -0.034 0.000 0.872 146 V CB 1.973 33.533 31.823 -0.438 0.000 0.998 146 V HN 0.715 nan 8.190 nan 0.000 0.423 147 N N 2.395 121.151 118.700 0.093 0.000 2.417 147 N HA 0.322 5.071 4.740 0.015 0.000 0.274 147 N C 0.670 176.096 175.510 -0.140 0.000 0.987 147 N CA 0.136 53.148 53.050 -0.064 0.000 0.912 147 N CB 2.262 40.550 38.487 -0.332 0.000 1.177 147 N HN 0.660 nan 8.380 nan 0.000 0.490 148 S N 2.042 117.698 115.700 -0.073 0.000 2.497 148 S HA 0.553 5.032 4.470 0.015 0.000 0.218 148 S C 0.410 175.062 174.600 0.087 0.000 1.023 148 S CA 0.175 58.387 58.200 0.019 0.000 0.913 148 S CB 0.281 63.515 63.200 0.056 0.000 0.800 148 S HN 0.703 nan 8.310 nan 0.000 0.505 149 A N 0.692 123.574 122.820 0.104 0.000 2.612 149 A HA 0.751 5.080 4.320 0.015 0.000 0.293 149 A C -1.311 176.354 177.584 0.134 0.000 1.075 149 A CA -0.994 51.073 52.037 0.050 0.000 0.680 149 A CB 0.769 19.835 19.000 0.109 0.000 1.279 149 A HN 1.060 nan 8.150 nan 0.000 0.411 150 F N -0.711 119.031 119.950 -0.347 0.000 2.693 150 F HA 0.751 5.287 4.527 0.015 0.000 0.309 150 F C -1.132 174.534 175.800 -0.223 0.000 1.129 150 F CA -0.827 57.067 58.000 -0.176 0.000 0.948 150 F CB 1.140 40.031 39.000 -0.181 0.000 1.315 150 F HN 0.623 nan 8.300 nan 0.000 0.447 151 H N 1.841 121.067 119.070 0.261 0.000 2.472 151 H HA 0.708 5.273 4.556 0.015 0.000 0.338 151 H C -1.425 173.868 175.328 -0.059 0.000 1.133 151 H CA -0.694 55.370 56.048 0.027 0.000 1.216 151 H CB 2.429 32.202 29.762 0.018 0.000 1.497 151 H HN 0.770 nan 8.280 nan 0.000 0.500 152 L N 3.189 124.185 121.223 -0.378 0.000 2.386 152 L HA 0.419 4.768 4.340 0.015 0.000 0.271 152 L C -1.598 174.944 176.870 -0.546 0.000 0.993 152 L CA -0.536 54.141 54.840 -0.270 0.000 0.819 152 L CB 1.410 43.185 42.059 -0.473 0.000 1.294 152 L HN 0.517 nan 8.230 nan 0.000 0.414 153 W N 4.279 125.544 121.300 -0.058 0.000 2.844 153 W HA 0.620 5.289 4.660 0.015 0.000 0.340 153 W C -1.141 175.314 176.519 -0.106 0.000 1.093 153 W CA -0.811 56.480 57.345 -0.090 0.000 1.212 153 W CB 2.060 31.509 29.460 -0.019 0.000 1.422 153 W HN 0.614 nan 8.180 nan 0.000 0.515 154 C N 4.192 123.560 119.300 0.114 0.000 2.481 154 C HA 0.304 4.773 4.460 0.015 0.000 0.324 154 C C 0.236 175.355 174.990 0.215 0.000 1.170 154 C CA -0.372 58.725 59.018 0.132 0.000 1.361 154 C CB -0.200 27.554 27.740 0.024 0.000 1.977 154 C HN 0.812 nan 8.230 nan 0.000 0.459 155 N N 3.439 122.229 118.700 0.149 0.000 2.716 155 N HA -0.193 4.556 4.740 0.015 0.000 0.250 155 N C 0.987 176.567 175.510 0.118 0.000 1.033 155 N CA 2.029 55.140 53.050 0.102 0.000 0.727 155 N CB -1.250 37.311 38.487 0.123 0.000 0.950 155 N HN 1.842 nan 8.380 nan 0.000 0.541 156 G N -1.199 107.661 108.800 0.100 0.000 2.184 156 G HA2 -0.371 3.598 3.960 0.015 0.000 0.264 156 G HA3 -0.371 3.598 3.960 0.015 0.000 0.264 156 G C 0.122 175.192 174.900 0.283 0.000 0.975 156 G CA 0.644 45.797 45.100 0.087 0.000 0.642 156 G HN 0.562 nan 8.290 nan 0.000 0.536 157 R N -0.903 119.832 120.500 0.391 0.000 2.346 157 R HA 0.405 4.754 4.340 0.015 0.000 0.311 157 R C -0.156 176.455 176.300 0.519 0.000 0.983 157 R CA -0.880 55.523 56.100 0.504 0.000 0.880 157 R CB 1.064 31.688 30.300 0.541 0.000 1.100 157 R HN 0.212 nan 8.270 nan 0.000 0.453 158 W N 3.948 125.429 121.300 0.301 0.000 2.264 158 W HA 0.030 4.699 4.660 0.015 0.000 0.331 158 W C 0.114 176.532 176.519 -0.168 0.000 1.364 158 W CA 0.125 57.342 57.345 -0.215 0.000 1.253 158 W CB 0.625 29.959 29.460 -0.211 0.000 1.215 158 W HN 0.355 nan 8.180 nan 0.000 0.561 159 V N 5.371 124.502 119.914 -1.305 0.000 2.599 159 V HA 0.555 4.684 4.120 0.015 0.000 0.237 159 V C 1.087 176.168 176.094 -1.688 0.000 1.081 159 V CA 1.024 62.554 62.300 -1.283 0.000 1.107 159 V CB -0.578 30.573 31.823 -1.119 0.000 0.808 159 V HN 0.807 nan 8.190 nan 0.000 0.486 160 G N -1.825 105.801 108.800 -1.956 0.000 2.428 160 G HA2 0.492 4.461 3.960 0.015 0.000 0.304 160 G HA3 0.492 4.461 3.960 0.015 0.000 0.304 160 G C -2.457 171.987 174.900 -0.760 0.000 1.303 160 G CA -0.282 44.018 45.100 -1.334 0.000 0.825 160 G HN 0.038 nan 8.290 nan 0.000 0.484 161 Y N -0.575 119.467 120.300 -0.429 0.000 2.562 161 Y HA 0.724 5.283 4.550 0.015 0.000 0.345 161 Y C -0.075 175.618 175.900 -0.346 0.000 1.045 161 Y CA -0.127 57.676 58.100 -0.494 0.000 1.028 161 Y CB 2.255 40.610 38.460 -0.175 0.000 1.297 161 Y HN 1.219 nan 8.280 nan 0.000 0.463 162 G N 3.430 111.346 108.800 -1.473 0.000 2.718 162 G HA2 0.588 4.557 3.960 0.015 0.000 0.295 162 G HA3 0.588 4.557 3.960 0.015 0.000 0.295 162 G C -2.138 172.262 174.900 -0.832 0.000 1.421 162 G CA -0.881 43.676 45.100 -0.905 0.000 0.902 162 G HN 0.620 nan 8.290 nan 0.000 0.501 163 Q N -0.231 119.356 119.800 -0.354 0.000 2.587 163 Q HA 0.589 4.938 4.340 0.015 0.000 0.293 163 Q C -1.424 174.574 176.000 -0.004 0.000 1.083 163 Q CA -0.842 54.891 55.803 -0.116 0.000 0.792 163 Q CB 2.769 31.498 28.738 -0.015 0.000 1.484 163 Q HN 0.637 nan 8.270 nan 0.000 0.446 164 D N -0.082 120.354 120.400 0.061 0.000 4.150 164 D HA -0.092 4.557 4.640 0.015 0.000 0.231 164 D C -0.571 175.792 176.300 0.106 0.000 1.129 164 D CA 0.370 54.420 54.000 0.084 0.000 1.005 164 D CB -0.662 40.171 40.800 0.055 0.000 0.691 164 D HN 0.537 nan 8.370 nan 0.000 0.320 165 S N 2.872 118.647 115.700 0.126 0.000 2.595 165 S HA -0.053 4.426 4.470 0.015 0.000 0.235 165 S C 1.560 176.300 174.600 0.234 0.000 0.974 165 S CA 0.487 58.793 58.200 0.177 0.000 0.942 165 S CB 0.265 63.526 63.200 0.101 0.000 0.766 165 S HN 0.432 nan 8.310 nan 0.000 0.536 166 R N 0.063 120.658 120.500 0.158 0.000 2.535 166 R HA 0.426 4.775 4.340 0.015 0.000 0.323 166 R C -0.342 176.018 176.300 0.102 0.000 0.979 166 R CA 0.057 56.253 56.100 0.160 0.000 1.120 166 R CB 0.222 30.645 30.300 0.206 0.000 1.306 166 R HN 0.321 nan 8.270 nan 0.000 0.540 167 L N 1.620 122.875 121.223 0.053 0.000 2.333 167 L HA 0.521 4.870 4.340 0.015 0.000 0.263 167 L C -2.357 174.491 176.870 -0.036 0.000 1.014 167 L CA -2.316 52.523 54.840 -0.002 0.000 0.820 167 L CB 2.831 44.879 42.059 -0.018 0.000 1.352 167 L HN -0.208 nan 8.230 nan 0.000 0.421 168 P HA 0.101 nan 4.420 nan 0.000 0.271 168 P C -0.996 176.267 177.300 -0.061 0.000 1.216 168 P CA -0.210 62.843 63.100 -0.077 0.000 0.776 168 P CB 1.153 32.768 31.700 -0.141 0.000 0.881 169 S N 1.864 117.591 115.700 0.045 0.000 2.498 169 S HA 0.316 4.795 4.470 0.015 0.000 0.317 169 S C -0.433 174.116 174.600 -0.087 0.000 1.090 169 S CA -0.581 57.598 58.200 -0.035 0.000 1.089 169 S CB 0.776 64.110 63.200 0.223 0.000 0.997 169 S HN 0.369 nan 8.310 nan 0.000 0.470 170 E N 2.134 122.080 120.200 -0.424 0.000 2.238 170 E HA 0.599 4.958 4.350 0.015 0.000 0.267 170 E C -1.411 174.768 176.600 -0.703 0.000 0.887 170 E CA -0.621 55.592 56.400 -0.312 0.000 0.769 170 E CB 1.690 31.324 29.700 -0.110 0.000 1.187 170 E HN 0.407 nan 8.360 nan 0.000 0.416 171 F N 0.448 120.448 119.950 0.084 0.000 2.565 171 F HA 0.216 4.752 4.527 0.015 0.000 0.313 171 F C -0.069 175.749 175.800 0.031 0.000 1.091 171 F CA -1.170 56.843 58.000 0.022 0.000 0.915 171 F CB 1.571 40.549 39.000 -0.037 0.000 1.208 171 F HN 0.294 nan 8.300 nan 0.000 0.453 172 D N 2.551 123.074 120.400 0.205 0.000 2.325 172 D HA 0.232 4.881 4.640 0.015 0.000 0.251 172 D C 0.285 176.726 176.300 0.234 0.000 1.196 172 D CA 0.309 54.414 54.000 0.175 0.000 0.866 172 D CB 0.984 41.870 40.800 0.143 0.000 1.101 172 D HN 0.573 nan 8.370 nan 0.000 0.476 173 L N 2.743 124.106 121.223 0.232 0.000 2.640 173 L HA 0.026 4.375 4.340 0.015 0.000 0.230 173 L C 2.127 179.246 176.870 0.414 0.000 1.123 173 L CA -0.163 54.871 54.840 0.324 0.000 0.900 173 L CB 0.034 42.248 42.059 0.258 0.000 1.146 173 L HN 0.304 nan 8.230 nan 0.000 0.484 174 S N 1.453 117.324 115.700 0.284 0.000 2.390 174 S HA -0.314 4.164 4.470 0.015 0.000 0.234 174 S C 1.973 176.681 174.600 0.180 0.000 1.063 174 S CA 2.009 60.335 58.200 0.209 0.000 1.108 174 S CB -0.219 63.063 63.200 0.137 0.000 0.975 174 S HN 0.567 nan 8.310 nan 0.000 0.442 175 A N -0.728 122.176 122.820 0.141 0.000 2.238 175 A HA 0.324 4.653 4.320 0.015 0.000 0.208 175 A C 1.257 178.722 177.584 -0.199 0.000 1.177 175 A CA 0.325 52.324 52.037 -0.064 0.000 0.804 175 A CB -0.435 18.437 19.000 -0.213 0.000 0.823 175 A HN 0.477 nan 8.150 nan 0.000 0.482 176 F N -0.591 119.410 119.950 0.085 0.000 2.717 176 F HA 0.337 4.873 4.527 0.015 0.000 0.297 176 F C 0.718 176.568 175.800 0.084 0.000 1.113 176 F CA -0.351 57.700 58.000 0.084 0.000 1.319 176 F CB -0.028 39.033 39.000 0.101 0.000 1.097 176 F HN -0.027 nan 8.300 nan 0.000 0.595 177 L N 2.012 123.406 121.223 0.286 0.000 2.467 177 L HA 0.252 4.601 4.340 0.015 0.000 0.270 177 L C 0.442 177.367 176.870 0.091 0.000 1.205 177 L CA 0.066 55.021 54.840 0.191 0.000 0.828 177 L CB 0.406 42.588 42.059 0.204 0.000 1.101 177 L HN 0.165 nan 8.230 nan 0.000 0.479 178 R N 1.731 122.246 120.500 0.025 0.000 2.799 178 R HA 0.784 5.133 4.340 0.015 0.000 0.270 178 R C -1.147 175.129 176.300 -0.040 0.000 1.010 178 R CA -0.943 55.155 56.100 -0.004 0.000 0.916 178 R CB 1.395 31.689 30.300 -0.009 0.000 1.228 178 R HN 0.532 nan 8.270 nan 0.000 0.469 179 A N 1.104 123.905 122.820 -0.032 0.000 2.498 179 A HA 0.477 4.806 4.320 0.015 0.000 0.239 179 A C 1.091 178.631 177.584 -0.074 0.000 1.068 179 A CA 1.120 53.129 52.037 -0.045 0.000 0.766 179 A CB -0.795 18.187 19.000 -0.030 0.000 1.003 179 A HN 1.442 nan 8.150 nan 0.000 0.497 180 G N 1.442 110.187 108.800 -0.091 0.000 2.498 180 G HA2 -0.181 3.788 3.960 0.015 0.000 0.245 180 G HA3 -0.181 3.788 3.960 0.015 0.000 0.245 180 G C -0.115 174.685 174.900 -0.166 0.000 1.204 180 G CA 0.206 45.241 45.100 -0.108 0.000 0.933 180 G HN 1.014 nan 8.290 nan 0.000 0.574 181 E N 1.549 121.653 120.200 -0.160 0.000 2.316 181 E HA 0.309 4.668 4.350 0.015 0.000 0.275 181 E C 0.083 176.517 176.600 -0.276 0.000 1.029 181 E CA -0.114 56.160 56.400 -0.211 0.000 0.871 181 E CB 0.351 29.968 29.700 -0.140 0.000 1.022 181 E HN 0.407 nan 8.360 nan 0.000 0.418 182 N N 2.449 120.853 118.700 -0.494 0.000 2.328 182 N HA 0.402 5.151 4.740 0.015 0.000 0.299 182 N C -0.831 174.468 175.510 -0.352 0.000 1.179 182 N CA -0.675 52.062 53.050 -0.521 0.000 0.793 182 N CB 2.198 40.085 38.487 -1.000 0.000 1.366 182 N HN 0.286 nan 8.380 nan 0.000 0.493 183 R N 1.574 122.026 120.500 -0.080 0.000 2.532 183 R HA 0.462 4.811 4.340 0.015 0.000 0.297 183 R C -1.269 175.133 176.300 0.169 0.000 0.984 183 R CA -0.478 55.653 56.100 0.052 0.000 0.884 183 R CB 0.946 31.226 30.300 -0.033 0.000 1.182 183 R HN 0.474 nan 8.270 nan 0.000 0.442 184 L N 3.018 124.371 121.223 0.216 0.000 2.343 184 L HA 0.747 5.096 4.340 0.015 0.000 0.275 184 L C -0.255 176.700 176.870 0.142 0.000 1.056 184 L CA -0.905 54.060 54.840 0.209 0.000 0.804 184 L CB 1.929 44.106 42.059 0.197 0.000 1.203 184 L HN 0.774 nan 8.230 nan 0.000 0.440 185 A N 3.017 125.934 122.820 0.162 0.000 2.357 185 A HA 0.713 5.041 4.320 0.015 0.000 0.295 185 A C -1.084 176.818 177.584 0.529 0.000 1.121 185 A CA -0.425 51.618 52.037 0.010 0.000 0.742 185 A CB 1.414 19.879 19.000 -0.892 0.000 1.181 185 A HN 0.365 nan 8.150 nan 0.000 0.454 186 V N 3.641 124.028 119.914 0.788 0.000 2.407 186 V HA 0.434 4.563 4.120 0.015 0.000 0.291 186 V C -0.028 176.616 176.094 0.915 0.000 1.018 186 V CA -0.281 62.471 62.300 0.753 0.000 0.842 186 V CB 1.547 33.641 31.823 0.452 0.000 0.996 186 V HN 0.960 nan 8.190 nan 0.000 0.426 187 M N 6.169 126.339 119.600 0.951 0.000 2.069 187 M HA 0.509 4.998 4.480 0.015 0.000 0.349 187 M C -1.311 175.247 176.300 0.431 0.000 1.194 187 M CA -0.328 55.347 55.300 0.625 0.000 1.081 187 M CB 0.885 33.918 32.600 0.721 0.000 1.500 187 M HN 0.479 nan 8.290 nan 0.000 0.438 188 V N 6.792 126.914 119.914 0.347 0.000 2.394 188 V HA 0.388 4.517 4.120 0.015 0.000 0.282 188 V C -0.095 176.161 176.094 0.269 0.000 1.031 188 V CA -0.676 61.827 62.300 0.340 0.000 0.881 188 V CB 1.387 33.499 31.823 0.483 0.000 0.982 188 V HN 0.778 nan 8.190 nan 0.000 0.451 189 L N 4.917 126.222 121.223 0.136 0.000 2.275 189 L HA 0.522 4.871 4.340 0.015 0.000 0.288 189 L C 1.542 178.411 176.870 -0.001 0.000 1.046 189 L CA -0.401 54.438 54.840 -0.001 0.000 0.805 189 L CB 1.214 43.162 42.059 -0.186 0.000 1.193 189 L HN 0.634 nan 8.230 nan 0.000 0.426 190 R N 2.830 123.289 120.500 -0.068 0.000 2.073 190 R HA -0.065 4.283 4.340 0.015 0.000 0.234 190 R C -0.325 175.648 176.300 -0.545 0.000 1.134 190 R CA 1.460 57.281 56.100 -0.466 0.000 0.952 190 R CB 0.194 30.081 30.300 -0.689 0.000 0.850 190 R HN 0.561 nan 8.270 nan 0.000 0.433 191 W N -0.059 121.292 121.300 0.086 0.000 2.627 191 W HA 0.400 5.069 4.660 0.015 0.000 0.339 191 W C -0.230 176.390 176.519 0.167 0.000 1.058 191 W CA -0.756 56.651 57.345 0.103 0.000 1.223 191 W CB 1.738 31.266 29.460 0.113 0.000 1.389 191 W HN 0.041 nan 8.180 nan 0.000 0.541 192 S N -1.134 114.845 115.700 0.464 0.000 2.727 192 S HA 0.214 4.693 4.470 0.015 0.000 0.278 192 S C 0.063 174.935 174.600 0.453 0.000 1.186 192 S CA -0.419 58.076 58.200 0.491 0.000 0.836 192 S CB 1.140 64.594 63.200 0.424 0.000 1.186 192 S HN 0.612 nan 8.310 nan 0.000 0.499 193 D N 0.280 120.947 120.400 0.446 0.000 2.264 193 D HA 0.092 4.741 4.640 0.015 0.000 0.208 193 D C 1.775 178.402 176.300 0.546 0.000 0.966 193 D CA 1.081 55.390 54.000 0.515 0.000 0.864 193 D CB -0.709 40.244 40.800 0.254 0.000 0.933 193 D HN 0.690 nan 8.370 nan 0.000 0.499 194 G N 0.213 109.245 108.800 0.387 0.000 2.432 194 G HA2 -0.273 3.696 3.960 0.015 0.000 0.219 194 G HA3 -0.273 3.696 3.960 0.015 0.000 0.219 194 G C 1.711 176.802 174.900 0.318 0.000 1.135 194 G CA 0.769 46.063 45.100 0.325 0.000 0.767 194 G HN 0.319 nan 8.290 nan 0.000 0.550 195 S N -0.043 115.836 115.700 0.299 0.000 2.419 195 S HA -0.105 4.374 4.470 0.015 0.000 0.233 195 S C 1.905 176.610 174.600 0.176 0.000 1.016 195 S CA 0.762 59.104 58.200 0.237 0.000 0.974 195 S CB -0.405 62.952 63.200 0.261 0.000 0.786 195 S HN 0.550 nan 8.310 nan 0.000 0.492 196 Y N 1.213 121.645 120.300 0.219 0.000 2.403 196 Y HA 0.061 4.620 4.550 0.015 0.000 0.291 196 Y C 1.604 177.611 175.900 0.178 0.000 1.143 196 Y CA 0.665 58.818 58.100 0.088 0.000 1.257 196 Y CB -0.225 38.157 38.460 -0.129 0.000 0.984 196 Y HN 0.202 nan 8.280 nan 0.000 0.550 197 L N -0.385 121.034 121.223 0.325 0.000 2.667 197 L HA 0.133 4.482 4.340 0.015 0.000 0.232 197 L C 0.066 177.069 176.870 0.221 0.000 1.138 197 L CA 0.393 55.377 54.840 0.240 0.000 0.921 197 L CB 0.085 42.287 42.059 0.239 0.000 1.180 197 L HN 0.127 nan 8.230 nan 0.000 0.487 198 E N -0.136 120.206 120.200 0.235 0.000 3.646 198 E HA 0.035 4.394 4.350 0.015 0.000 0.211 198 E C -0.425 176.269 176.600 0.157 0.000 1.034 198 E CA -0.073 56.447 56.400 0.200 0.000 1.341 198 E CB 0.489 30.301 29.700 0.186 0.000 1.202 198 E HN 0.035 nan 8.360 nan 0.000 0.447 199 D N 1.123 121.571 120.400 0.080 0.000 2.538 199 D HA 0.017 4.666 4.640 0.015 0.000 0.234 199 D C -0.211 176.046 176.300 -0.071 0.000 1.191 199 D CA -0.050 53.874 54.000 -0.126 0.000 0.828 199 D CB 0.133 40.599 40.800 -0.558 0.000 0.981 199 D HN 0.061 nan 8.370 nan 0.000 0.490 200 Q N 0.459 120.320 119.800 0.102 0.000 2.395 200 Q HA 0.109 4.458 4.340 0.015 0.000 0.271 200 Q C -0.052 176.046 176.000 0.164 0.000 1.026 200 Q CA 0.080 56.013 55.803 0.216 0.000 0.900 200 Q CB 0.535 29.587 28.738 0.524 0.000 1.266 200 Q HN 0.046 nan 8.270 nan 0.000 0.430 201 D N 3.059 123.574 120.400 0.193 0.000 2.441 201 D HA 0.171 4.820 4.640 0.015 0.000 0.243 201 D C -0.760 175.682 176.300 0.237 0.000 1.257 201 D CA 0.158 54.260 54.000 0.171 0.000 1.027 201 D CB -0.454 40.429 40.800 0.138 0.000 1.084 201 D HN 0.514 nan 8.370 nan 0.000 0.514 202 M N 0.480 120.193 119.600 0.189 0.000 3.069 202 M HA 0.348 4.837 4.480 0.015 0.000 0.274 202 M C -1.340 175.055 176.300 0.157 0.000 1.146 202 M CA -1.157 54.175 55.300 0.055 0.000 0.807 202 M CB 0.968 33.516 32.600 -0.087 0.000 1.621 202 M HN -0.092 nan 8.290 nan 0.000 0.521 203 W N 1.844 123.231 121.300 0.145 0.000 2.231 203 W HA 0.288 4.957 4.660 0.015 0.000 0.341 203 W C 0.309 176.849 176.519 0.035 0.000 1.298 203 W CA 0.071 57.494 57.345 0.130 0.000 1.266 203 W CB 0.309 29.780 29.460 0.019 0.000 1.172 203 W HN 0.302 nan 8.180 nan 0.000 0.568 204 R N 4.542 125.228 120.500 0.311 0.000 2.215 204 R HA 0.423 4.772 4.340 0.015 0.000 0.337 204 R C -0.156 176.147 176.300 0.005 0.000 1.010 204 R CA -0.265 55.926 56.100 0.152 0.000 0.871 204 R CB 0.216 30.678 30.300 0.270 0.000 1.134 204 R HN 0.554 nan 8.270 nan 0.000 0.477 205 M N 0.162 119.648 119.600 -0.190 0.000 2.752 205 M HA 0.536 5.025 4.480 0.015 0.000 0.285 205 M C -0.017 175.926 176.300 -0.595 0.000 1.140 205 M CA -0.838 54.234 55.300 -0.379 0.000 0.767 205 M CB 2.223 34.594 32.600 -0.381 0.000 1.736 205 M HN 0.612 nan 8.290 nan 0.000 0.452 206 S N -1.273 113.938 115.700 -0.814 0.000 2.611 206 S HA 0.944 5.423 4.470 0.015 0.000 0.268 206 S C -0.589 173.479 174.600 -0.886 0.000 1.156 206 S CA -0.165 57.463 58.200 -0.953 0.000 0.817 206 S CB 1.722 64.173 63.200 -1.248 0.000 1.122 206 S HN 1.492 nan 8.310 nan 0.000 0.466 207 G N 0.030 108.545 108.800 -0.475 0.000 2.331 207 G HA2 0.156 4.125 3.960 0.015 0.000 0.479 207 G HA3 0.156 4.125 3.960 0.015 0.000 0.479 207 G C -1.484 173.394 174.900 -0.036 0.000 1.262 207 G CA -0.565 44.573 45.100 0.064 0.000 1.029 207 G HN 1.187 nan 8.290 nan 0.000 0.487 208 I N 2.091 122.498 120.570 -0.271 0.000 2.276 208 I HA 0.310 4.489 4.170 0.015 0.000 0.290 208 I C 1.044 177.031 176.117 -0.218 0.000 1.109 208 I CA -0.266 60.788 61.300 -0.411 0.000 1.229 208 I CB -0.018 37.451 38.000 -0.884 0.000 1.452 208 I HN 0.528 nan 8.210 nan 0.000 0.497 209 F N 4.385 124.177 119.950 -0.263 0.000 2.695 209 F HA 0.470 5.006 4.527 0.015 0.000 0.303 209 F C 0.693 176.410 175.800 -0.138 0.000 1.091 209 F CA -0.523 57.358 58.000 -0.198 0.000 1.300 209 F CB 0.172 39.059 39.000 -0.190 0.000 1.071 209 F HN 0.136 nan 8.300 nan 0.000 0.578 210 R N 0.560 120.623 120.500 -0.729 0.000 2.930 210 R HA 0.237 4.586 4.340 0.015 0.000 0.257 210 R C -0.681 175.409 176.300 -0.349 0.000 1.107 210 R CA -1.158 54.623 56.100 -0.532 0.000 0.999 210 R CB 0.736 30.632 30.300 -0.673 0.000 1.209 210 R HN -0.026 nan 8.270 nan 0.000 0.486 211 D N 0.712 120.955 120.400 -0.260 0.000 2.443 211 D HA 0.069 4.718 4.640 0.015 0.000 0.234 211 D C -0.454 175.705 176.300 -0.235 0.000 1.172 211 D CA 0.539 54.423 54.000 -0.194 0.000 0.878 211 D CB 0.650 41.370 40.800 -0.133 0.000 1.204 211 D HN -0.020 nan 8.370 nan 0.000 0.453 212 V N 0.904 120.690 119.914 -0.213 0.000 2.604 212 V HA 0.560 4.689 4.120 0.015 0.000 0.305 212 V C 0.022 176.004 176.094 -0.187 0.000 1.043 212 V CA -0.543 61.569 62.300 -0.313 0.000 0.888 212 V CB 1.802 33.452 31.823 -0.288 0.000 0.995 212 V HN 0.779 nan 8.190 nan 0.000 0.429 213 S N 4.388 119.950 115.700 -0.230 0.000 2.638 213 S HA 0.845 5.324 4.470 0.015 0.000 0.274 213 S C -1.340 173.197 174.600 -0.106 0.000 1.157 213 S CA -0.950 57.182 58.200 -0.114 0.000 0.826 213 S CB 1.865 65.030 63.200 -0.059 0.000 1.139 213 S HN 0.456 nan 8.310 nan 0.000 0.474 214 L N 1.279 122.501 121.223 -0.002 0.000 2.362 214 L HA 0.717 5.066 4.340 0.015 0.000 0.275 214 L C -1.478 175.456 176.870 0.106 0.000 0.998 214 L CA -0.854 54.032 54.840 0.077 0.000 0.820 214 L CB 1.758 43.959 42.059 0.238 0.000 1.270 214 L HN 0.678 nan 8.230 nan 0.000 0.415 215 L N 3.114 124.343 121.223 0.011 0.000 2.406 215 L HA 0.410 4.759 4.340 0.015 0.000 0.272 215 L C -0.793 175.945 176.870 -0.219 0.000 0.980 215 L CA -0.101 54.697 54.840 -0.071 0.000 0.831 215 L CB 1.475 43.520 42.059 -0.022 0.000 1.253 215 L HN 0.520 nan 8.230 nan 0.000 0.406 216 H N 5.709 124.428 119.070 -0.585 0.000 2.685 216 H HA 0.392 4.957 4.556 0.015 0.000 0.286 216 H C -1.005 174.053 175.328 -0.450 0.000 1.102 216 H CA -0.662 54.895 56.048 -0.820 0.000 1.254 216 H CB 0.730 29.369 29.762 -1.871 0.000 1.397 216 H HN 0.523 nan 8.280 nan 0.000 0.473 217 K N 4.993 125.032 120.400 -0.602 0.000 2.185 217 K HA 0.385 4.714 4.320 0.015 0.000 0.240 217 K C -2.576 173.702 176.600 -0.536 0.000 0.983 217 K CA -1.955 54.051 56.287 -0.468 0.000 0.873 217 K CB 1.585 33.913 32.500 -0.287 0.000 1.118 217 K HN 0.490 nan 8.250 nan 0.000 0.441 218 P HA 0.086 nan 4.420 nan 0.000 0.276 218 P C 0.679 177.869 177.300 -0.184 0.000 1.252 218 P CA -0.116 62.835 63.100 -0.248 0.000 0.802 218 P CB 0.308 31.921 31.700 -0.144 0.000 1.035 219 T N -3.435 111.044 114.554 -0.125 0.000 2.904 219 T HA -0.024 4.335 4.350 0.015 0.000 0.267 219 T C 0.678 175.325 174.700 -0.089 0.000 1.059 219 T CA 1.184 63.229 62.100 -0.091 0.000 1.137 219 T CB -1.012 67.823 68.868 -0.056 0.000 0.879 219 T HN 0.276 nan 8.240 nan 0.000 0.467 220 T N 3.333 117.838 114.554 -0.083 0.000 2.762 220 T HA 0.486 4.845 4.350 0.015 0.000 0.303 220 T C -0.369 174.273 174.700 -0.096 0.000 0.977 220 T CA -0.731 61.314 62.100 -0.092 0.000 0.961 220 T CB 0.721 69.548 68.868 -0.068 0.000 0.944 220 T HN 0.702 nan 8.240 nan 0.000 0.481 221 Q N 2.430 122.161 119.800 -0.115 0.000 2.565 221 Q HA 0.617 4.966 4.340 0.015 0.000 0.294 221 Q C -1.193 174.744 176.000 -0.105 0.000 1.005 221 Q CA -1.184 54.546 55.803 -0.122 0.000 0.771 221 Q CB 1.288 29.932 28.738 -0.157 0.000 1.486 221 Q HN 0.437 nan 8.270 nan 0.000 0.422 222 I N 2.618 123.108 120.570 -0.134 0.000 2.436 222 I HA 0.018 4.197 4.170 0.015 0.000 0.289 222 I C 0.689 176.727 176.117 -0.131 0.000 1.083 222 I CA 0.081 61.324 61.300 -0.096 0.000 1.372 222 I CB 0.999 38.898 38.000 -0.168 0.000 1.408 222 I HN 0.873 nan 8.210 nan 0.000 0.516 223 S N 2.672 118.402 115.700 0.050 0.000 2.502 223 S HA 0.209 4.688 4.470 0.015 0.000 0.215 223 S C 0.173 174.991 174.600 0.363 0.000 1.009 223 S CA -0.275 58.020 58.200 0.160 0.000 0.908 223 S CB 0.304 63.546 63.200 0.071 0.000 0.801 223 S HN 0.705 nan 8.310 nan 0.000 0.505 224 D N -0.247 120.360 120.400 0.344 0.000 2.728 224 D HA 0.515 5.164 4.640 0.015 0.000 0.249 224 D C -1.940 174.548 176.300 0.313 0.000 1.225 224 D CA -0.732 53.473 54.000 0.342 0.000 0.748 224 D CB 1.541 42.440 40.800 0.164 0.000 1.326 224 D HN 0.205 nan 8.370 nan 0.000 0.426 225 F N -0.585 119.435 119.950 0.116 0.000 2.635 225 F HA 0.597 5.133 4.527 0.015 0.000 0.314 225 F C -1.592 174.284 175.800 0.128 0.000 1.119 225 F CA -0.778 57.220 58.000 -0.003 0.000 1.000 225 F CB 1.205 40.240 39.000 0.057 0.000 1.278 225 F HN 0.247 nan 8.300 nan 0.000 0.446 226 H N 2.279 121.426 119.070 0.128 0.000 2.547 226 H HA 0.730 5.295 4.556 0.015 0.000 0.342 226 H C -1.245 174.127 175.328 0.075 0.000 1.048 226 H CA -1.488 54.565 56.048 0.009 0.000 1.204 226 H CB 2.545 32.293 29.762 -0.023 0.000 1.493 226 H HN 0.605 nan 8.280 nan 0.000 0.511 227 V N 2.462 122.477 119.914 0.168 0.000 2.417 227 V HA 0.656 4.785 4.120 0.015 0.000 0.291 227 V C -0.191 175.901 176.094 -0.004 0.000 1.024 227 V CA -0.551 61.799 62.300 0.084 0.000 0.861 227 V CB 1.281 33.148 31.823 0.074 0.000 0.985 227 V HN 0.932 nan 8.190 nan 0.000 0.436 228 A N 3.280 126.076 122.820 -0.041 0.000 2.401 228 A HA 0.932 5.261 4.320 0.015 0.000 0.310 228 A C -0.154 177.340 177.584 -0.149 0.000 1.075 228 A CA -0.517 51.477 52.037 -0.071 0.000 0.746 228 A CB 1.986 20.965 19.000 -0.034 0.000 1.277 228 A HN 0.914 nan 8.150 nan 0.000 0.425 229 T N 0.008 114.458 114.554 -0.172 0.000 2.847 229 T HA 0.729 5.088 4.350 0.015 0.000 0.291 229 T C -0.445 174.046 174.700 -0.349 0.000 0.998 229 T CA -0.641 61.274 62.100 -0.309 0.000 0.967 229 T CB 0.879 69.501 68.868 -0.410 0.000 0.954 229 T HN 0.696 nan 8.240 nan 0.000 0.441 230 R N 1.933 122.150 120.500 -0.472 0.000 2.832 230 R HA 0.824 5.173 4.340 0.015 0.000 0.271 230 R C -1.132 174.729 176.300 -0.731 0.000 0.996 230 R CA -0.769 55.108 56.100 -0.372 0.000 0.977 230 R CB 1.530 31.737 30.300 -0.154 0.000 1.168 230 R HN 0.558 nan 8.270 nan 0.000 0.482 231 F N 0.083 120.011 119.950 -0.036 0.000 2.620 231 F HA 0.352 4.887 4.527 0.013 0.000 0.320 231 F C 0.416 176.073 175.800 -0.238 0.000 1.069 231 F CA -1.106 56.809 58.000 -0.142 0.000 0.953 231 F CB 1.073 39.853 39.000 -0.367 0.000 1.322 231 F HN 0.544 nan 8.300 nan 0.000 0.479 232 N N -0.023 118.654 118.700 -0.039 0.000 2.366 232 N HA 0.059 4.808 4.740 0.015 0.000 0.277 232 N C 0.473 175.844 175.510 -0.232 0.000 1.275 232 N CA -0.135 52.857 53.050 -0.097 0.000 0.964 232 N CB 0.061 38.519 38.487 -0.048 0.000 1.167 232 N HN 0.666 nan 8.380 nan 0.000 0.568 233 D N -1.330 118.986 120.400 -0.140 0.000 2.182 233 D HA -0.232 4.417 4.640 0.015 0.000 0.201 233 D C 0.271 176.494 176.300 -0.128 0.000 0.986 233 D CA 1.519 55.439 54.000 -0.134 0.000 0.847 233 D CB -0.539 40.239 40.800 -0.037 0.000 0.942 233 D HN 0.738 nan 8.370 nan 0.000 0.467 234 D N -1.695 118.672 120.400 -0.054 0.000 2.462 234 D HA 0.033 4.682 4.640 0.015 0.000 0.221 234 D C 0.102 176.566 176.300 0.273 0.000 1.173 234 D CA -0.940 53.140 54.000 0.133 0.000 0.831 234 D CB -0.959 39.916 40.800 0.124 0.000 1.001 234 D HN 0.168 nan 8.370 nan 0.000 0.499 235 F N 0.315 120.328 119.950 0.105 0.000 2.953 235 F HA -0.292 4.243 4.527 0.013 0.000 0.292 235 F C 1.633 177.521 175.800 0.147 0.000 0.747 235 F CA 0.835 58.914 58.000 0.132 0.000 1.222 235 F CB -2.496 36.479 39.000 -0.042 0.000 1.457 235 F HN 0.205 nan 8.300 nan 0.000 0.383 236 S N -1.415 114.393 115.700 0.181 0.000 2.528 236 S HA 0.297 4.776 4.470 0.015 0.000 0.219 236 S C 0.650 175.307 174.600 0.095 0.000 0.985 236 S CA 0.059 58.337 58.200 0.131 0.000 0.914 236 S CB 0.412 63.663 63.200 0.086 0.000 0.776 236 S HN 0.462 nan 8.310 nan 0.000 0.526 237 R N 0.110 120.669 120.500 0.099 0.000 2.673 237 R HA 0.798 5.147 4.340 0.015 0.000 0.281 237 R C -1.352 174.974 176.300 0.044 0.000 0.991 237 R CA -0.210 55.914 56.100 0.040 0.000 0.896 237 R CB 2.272 32.570 30.300 -0.003 0.000 1.201 237 R HN 0.259 nan 8.270 nan 0.000 0.457 238 A N 1.621 124.410 122.820 -0.052 0.000 2.498 238 A HA 0.717 5.046 4.320 0.015 0.000 0.298 238 A C -1.326 176.171 177.584 -0.146 0.000 1.075 238 A CA -0.655 51.262 52.037 -0.199 0.000 0.714 238 A CB 1.938 20.804 19.000 -0.223 0.000 1.299 238 A HN 0.359 nan 8.150 nan 0.000 0.407 239 V N 2.001 121.797 119.914 -0.196 0.000 2.409 239 V HA 0.412 4.541 4.120 0.015 0.000 0.291 239 V C -0.365 175.661 176.094 -0.114 0.000 1.020 239 V CA -0.356 61.872 62.300 -0.120 0.000 0.848 239 V CB 1.320 33.077 31.823 -0.111 0.000 0.990 239 V HN 0.784 nan 8.190 nan 0.000 0.430 240 L N 4.923 126.121 121.223 -0.043 0.000 2.264 240 L HA 0.594 4.943 4.340 0.015 0.000 0.289 240 L C 0.036 176.866 176.870 -0.067 0.000 1.044 240 L CA -0.002 54.797 54.840 -0.068 0.000 0.807 240 L CB 1.000 43.046 42.059 -0.021 0.000 1.192 240 L HN 0.793 nan 8.230 nan 0.000 0.425 241 E N 4.644 124.800 120.200 -0.073 0.000 2.176 241 E HA 0.662 5.021 4.350 0.015 0.000 0.267 241 E C -1.475 175.113 176.600 -0.019 0.000 0.893 241 E CA -0.779 55.594 56.400 -0.045 0.000 0.761 241 E CB 1.737 31.410 29.700 -0.046 0.000 1.133 241 E HN 0.714 nan 8.360 nan 0.000 0.409 242 A N 4.624 127.438 122.820 -0.010 0.000 2.332 242 A HA 0.311 4.640 4.320 0.015 0.000 0.300 242 A C -0.719 176.867 177.584 0.003 0.000 1.153 242 A CA -0.681 51.372 52.037 0.027 0.000 0.764 242 A CB 1.171 20.189 19.000 0.029 0.000 1.174 242 A HN 0.751 nan 8.150 nan 0.000 0.467 243 E N 2.365 122.565 120.200 0.000 0.000 2.200 243 E HA 0.528 4.887 4.350 0.015 0.000 0.283 243 E C -1.271 175.281 176.600 -0.080 0.000 1.015 243 E CA -0.310 56.046 56.400 -0.073 0.000 0.819 243 E CB 1.057 30.674 29.700 -0.138 0.000 1.081 243 E HN 0.388 nan 8.360 nan 0.000 0.397 244 V N 4.906 124.794 119.914 -0.043 0.000 2.540 244 V HA 0.277 4.406 4.120 0.015 0.000 0.302 244 V C -0.484 175.670 176.094 0.100 0.000 1.035 244 V CA -0.791 61.531 62.300 0.037 0.000 0.873 244 V CB 1.728 33.557 31.823 0.010 0.000 0.992 244 V HN 0.740 nan 8.190 nan 0.000 0.428 245 Q N 4.146 124.010 119.800 0.107 0.000 2.345 245 Q HA 0.826 5.175 4.340 0.015 0.000 0.268 245 Q C -0.791 175.279 176.000 0.118 0.000 1.054 245 Q CA -0.871 54.996 55.803 0.108 0.000 0.835 245 Q CB 2.666 31.404 28.738 -0.000 0.000 1.339 245 Q HN 0.813 nan 8.270 nan 0.000 0.447 246 M N -0.887 118.710 119.600 -0.005 0.000 2.716 246 M HA 0.752 5.241 4.480 0.015 0.000 0.307 246 M C -1.320 174.888 176.300 -0.153 0.000 1.223 246 M CA -0.521 54.691 55.300 -0.146 0.000 0.871 246 M CB 1.591 33.904 32.600 -0.478 0.000 1.739 246 M HN 0.499 nan 8.290 nan 0.000 0.475 247 C N 0.948 120.167 119.300 -0.136 0.000 2.634 247 C HA 1.031 5.500 4.460 0.015 0.000 0.313 247 C C 0.536 175.447 174.990 -0.132 0.000 1.198 247 C CA 0.542 59.496 59.018 -0.107 0.000 1.605 247 C CB 0.869 28.573 27.740 -0.061 0.000 2.196 247 C HN 1.393 nan 8.230 nan 0.000 0.486 248 G N 1.957 110.687 108.800 -0.116 0.000 2.373 248 G HA2 0.036 4.005 3.960 0.015 0.000 0.634 248 G HA3 0.036 4.005 3.960 0.015 0.000 0.634 248 G C -1.109 173.712 174.900 -0.131 0.000 1.267 248 G CA -0.610 44.423 45.100 -0.111 0.000 1.008 248 G HN 0.916 nan 8.290 nan 0.000 0.497 249 E N -0.069 120.061 120.200 -0.116 0.000 2.223 249 E HA 0.452 4.811 4.350 0.015 0.000 0.282 249 E C 0.517 177.012 176.600 -0.175 0.000 1.046 249 E CA -0.515 55.813 56.400 -0.120 0.000 0.857 249 E CB 0.303 29.955 29.700 -0.079 0.000 1.055 249 E HN 0.461 nan 8.360 nan 0.000 0.409 250 L N 5.095 126.204 121.223 -0.190 0.000 2.416 250 L HA 0.287 4.636 4.340 0.015 0.000 0.272 250 L C 0.506 177.237 176.870 -0.232 0.000 1.161 250 L CA 0.049 54.749 54.840 -0.233 0.000 0.845 250 L CB 0.407 42.355 42.059 -0.186 0.000 1.119 250 L HN 0.478 nan 8.230 nan 0.000 0.464 251 R N 1.627 121.932 120.500 -0.325 0.000 2.651 251 R HA 0.177 4.526 4.340 0.015 0.000 0.278 251 R C -0.345 175.690 176.300 -0.441 0.000 1.010 251 R CA -0.789 55.023 56.100 -0.480 0.000 0.896 251 R CB 1.774 31.475 30.300 -0.999 0.000 1.211 251 R HN 0.533 nan 8.270 nan 0.000 0.456 252 D N 1.128 121.361 120.400 -0.278 0.000 2.263 252 D HA -0.151 4.498 4.640 0.015 0.000 0.208 252 D C 1.475 177.736 176.300 -0.066 0.000 0.971 252 D CA 1.581 55.509 54.000 -0.119 0.000 0.867 252 D CB 0.063 40.846 40.800 -0.029 0.000 0.929 252 D HN 0.587 nan 8.370 nan 0.000 0.492 253 Y N -0.299 120.011 120.300 0.016 0.000 2.529 253 Y HA 0.278 4.837 4.550 0.015 0.000 0.290 253 Y C 0.738 176.639 175.900 0.002 0.000 1.177 253 Y CA -0.483 57.623 58.100 0.010 0.000 1.305 253 Y CB -0.872 37.596 38.460 0.012 0.000 1.047 253 Y HN -0.194 nan 8.280 nan 0.000 0.522 254 L N 2.408 123.579 121.223 -0.086 0.000 2.417 254 L HA 0.355 4.704 4.340 0.015 0.000 0.268 254 L C 0.256 177.119 176.870 -0.012 0.000 1.158 254 L CA -0.279 54.585 54.840 0.040 0.000 0.819 254 L CB 0.542 42.639 42.059 0.063 0.000 1.112 254 L HN 0.140 nan 8.230 nan 0.000 0.458 255 R N 1.471 121.854 120.500 -0.195 0.000 2.836 255 R HA 0.723 5.072 4.340 0.015 0.000 0.269 255 R C -1.463 174.515 176.300 -0.536 0.000 1.010 255 R CA -0.845 55.005 56.100 -0.417 0.000 0.930 255 R CB 2.114 32.076 30.300 -0.563 0.000 1.218 255 R HN 0.271 nan 8.270 nan 0.000 0.473 256 V N 0.613 120.246 119.914 -0.469 0.000 2.656 256 V HA 0.524 4.653 4.120 0.015 0.000 0.307 256 V C -0.311 175.737 176.094 -0.077 0.000 1.051 256 V CA -0.586 61.541 62.300 -0.289 0.000 0.893 256 V CB 2.288 33.875 31.823 -0.393 0.000 0.999 256 V HN 0.715 nan 8.190 nan 0.000 0.426 257 T N 3.576 118.190 114.554 0.100 0.000 2.824 257 T HA 0.637 4.996 4.350 0.015 0.000 0.282 257 T C -0.771 173.934 174.700 0.009 0.000 0.993 257 T CA -0.360 61.794 62.100 0.090 0.000 0.967 257 T CB 1.766 70.715 68.868 0.135 0.000 0.960 257 T HN 0.357 nan 8.240 nan 0.000 0.441 258 V N 3.099 122.999 119.914 -0.023 0.000 2.448 258 V HA 0.614 4.743 4.120 0.015 0.000 0.295 258 V C -0.230 175.853 176.094 -0.017 0.000 1.025 258 V CA -0.593 61.689 62.300 -0.030 0.000 0.859 258 V CB 1.956 33.751 31.823 -0.047 0.000 0.988 258 V HN 0.949 nan 8.190 nan 0.000 0.431 259 S N 4.660 120.374 115.700 0.024 0.000 2.513 259 S HA 0.758 5.237 4.470 0.015 0.000 0.299 259 S C -0.927 173.699 174.600 0.043 0.000 1.087 259 S CA -0.486 57.705 58.200 -0.014 0.000 1.012 259 S CB 1.883 65.110 63.200 0.046 0.000 1.044 259 S HN 0.561 nan 8.310 nan 0.000 0.485 260 L N 2.807 123.965 121.223 -0.109 0.000 2.313 260 L HA 0.718 5.067 4.340 0.015 0.000 0.283 260 L C -1.995 174.827 176.870 -0.080 0.000 1.013 260 L CA -0.151 54.712 54.840 0.039 0.000 0.816 260 L CB 0.676 42.761 42.059 0.043 0.000 1.236 260 L HN 0.721 nan 8.230 nan 0.000 0.419 261 W N 3.672 125.079 121.300 0.179 0.000 2.666 261 W HA 0.564 5.232 4.660 0.015 0.000 0.334 261 W C -0.506 176.145 176.519 0.220 0.000 1.051 261 W CA -0.446 56.991 57.345 0.155 0.000 1.224 261 W CB 1.430 30.926 29.460 0.061 0.000 1.405 261 W HN 0.418 nan 8.180 nan 0.000 0.513 262 Q N 2.831 122.831 119.800 0.334 0.000 2.462 262 Q HA 0.485 4.834 4.340 0.015 0.000 0.247 262 Q C 0.769 176.826 176.000 0.094 0.000 1.044 262 Q CA 0.503 56.345 55.803 0.065 0.000 0.803 262 Q CB 0.469 29.214 28.738 0.010 0.000 1.190 262 Q HN 0.780 nan 8.270 nan 0.000 0.507 263 G N 3.103 111.948 108.800 0.075 0.000 2.574 263 G HA2 -0.368 3.601 3.960 0.015 0.000 0.286 263 G HA3 -0.368 3.601 3.960 0.015 0.000 0.286 263 G C 0.250 175.242 174.900 0.154 0.000 1.212 263 G CA 0.364 45.503 45.100 0.065 0.000 0.979 263 G HN 0.728 nan 8.290 nan 0.000 0.557 264 E N 0.738 121.016 120.200 0.130 0.000 2.476 264 E HA 0.198 4.557 4.350 0.015 0.000 0.191 264 E C 0.301 177.130 176.600 0.382 0.000 1.064 264 E CA 0.612 57.121 56.400 0.182 0.000 0.866 264 E CB 0.143 29.888 29.700 0.075 0.000 0.952 264 E HN 0.324 nan 8.360 nan 0.000 0.492 265 T N 1.320 116.076 114.554 0.336 0.000 2.771 265 T HA 0.117 4.476 4.350 0.015 0.000 0.281 265 T C -0.296 174.435 174.700 0.051 0.000 0.982 265 T CA -0.508 61.712 62.100 0.200 0.000 0.978 265 T CB 1.656 70.574 68.868 0.084 0.000 0.930 265 T HN 0.032 nan 8.240 nan 0.000 0.447 266 Q N 2.881 122.436 119.800 -0.410 0.000 2.296 266 Q HA 0.262 4.611 4.340 0.015 0.000 0.263 266 Q C 0.985 176.729 176.000 -0.427 0.000 1.026 266 Q CA -0.435 54.794 55.803 -0.957 0.000 0.912 266 Q CB 0.639 28.549 28.738 -1.380 0.000 1.198 266 Q HN 0.704 nan 8.270 nan 0.000 0.407 267 V N 1.028 120.769 119.914 -0.288 0.000 3.307 267 V HA 0.569 4.698 4.120 0.015 0.000 0.253 267 V C 0.349 176.351 176.094 -0.153 0.000 1.149 267 V CA 0.693 62.911 62.300 -0.138 0.000 1.112 267 V CB -0.023 31.798 31.823 -0.003 0.000 0.777 267 V HN 0.646 nan 8.190 nan 0.000 0.464 268 A N -1.012 121.687 122.820 -0.201 0.000 2.608 268 A HA 0.818 5.147 4.320 0.015 0.000 0.292 268 A C -0.706 176.774 177.584 -0.172 0.000 1.066 268 A CA 0.216 52.161 52.037 -0.154 0.000 0.676 268 A CB 1.576 20.514 19.000 -0.104 0.000 1.277 268 A HN 0.465 nan 8.150 nan 0.000 0.413 269 S N -1.314 114.310 115.700 -0.126 0.000 2.565 269 S HA 0.828 5.307 4.470 0.015 0.000 0.269 269 S C -0.641 173.916 174.600 -0.072 0.000 1.153 269 S CA 0.160 58.296 58.200 -0.107 0.000 0.835 269 S CB 1.845 64.971 63.200 -0.122 0.000 1.122 269 S HN 2.303 nan 8.310 nan 0.000 0.462 270 G N 1.342 110.109 108.800 -0.055 0.000 2.753 270 G HA2 0.612 4.581 3.960 0.015 0.000 0.297 270 G HA3 0.612 4.581 3.960 0.015 0.000 0.297 270 G C -1.442 173.438 174.900 -0.034 0.000 1.430 270 G CA -0.345 44.727 45.100 -0.047 0.000 1.040 270 G HN 0.669 nan 8.290 nan 0.000 0.530 271 T N -0.014 114.524 114.554 -0.026 0.000 2.876 271 T HA 0.876 5.235 4.350 0.015 0.000 0.289 271 T C -0.253 174.416 174.700 -0.053 0.000 1.014 271 T CA -0.013 62.081 62.100 -0.010 0.000 0.986 271 T CB 1.850 70.747 68.868 0.049 0.000 1.021 271 T HN 1.583 nan 8.240 nan 0.000 0.458 272 A N 3.285 126.040 122.820 -0.108 0.000 2.608 272 A HA 0.903 5.232 4.320 0.015 0.000 0.292 272 A C -3.108 174.354 177.584 -0.203 0.000 1.066 272 A CA -1.542 50.418 52.037 -0.128 0.000 0.676 272 A CB 1.147 20.070 19.000 -0.128 0.000 1.277 272 A HN 0.537 nan 8.150 nan 0.000 0.413 273 P HA 0.541 nan 4.420 nan 0.000 0.278 273 P C -0.565 176.621 177.300 -0.190 0.000 1.266 273 P CA -0.280 62.735 63.100 -0.142 0.000 0.807 273 P CB 0.317 31.991 31.700 -0.043 0.000 1.094 274 F N -0.242 119.667 119.950 -0.067 0.000 2.444 274 F HA 0.467 5.003 4.527 0.015 0.000 0.331 274 F C 1.475 177.256 175.800 -0.031 0.000 1.167 274 F CA 1.542 59.513 58.000 -0.050 0.000 1.262 274 F CB 0.177 39.142 39.000 -0.058 0.000 1.196 274 F HN 0.580 nan 8.300 nan 0.000 0.583 275 G N 1.506 110.422 108.800 0.192 0.000 2.781 275 G HA2 0.336 4.305 3.960 0.015 0.000 0.468 275 G HA3 0.336 4.305 3.960 0.015 0.000 0.468 275 G C -0.429 174.518 174.900 0.079 0.000 1.186 275 G CA -0.755 44.416 45.100 0.118 0.000 1.220 275 G HN 1.040 nan 8.290 nan 0.000 0.564 276 G N 0.681 109.549 108.800 0.113 0.000 2.616 276 G HA2 0.674 4.643 3.960 0.015 0.000 0.268 276 G HA3 0.674 4.643 3.960 0.015 0.000 0.268 276 G C 0.476 175.417 174.900 0.069 0.000 1.213 276 G CA 0.015 45.171 45.100 0.094 0.000 0.926 276 G HN 1.113 nan 8.290 nan 0.000 0.523 277 E N -0.789 119.444 120.200 0.055 0.000 2.425 277 E HA 0.194 4.553 4.350 0.015 0.000 0.258 277 E C 0.012 176.636 176.600 0.040 0.000 1.151 277 E CA -0.440 55.982 56.400 0.036 0.000 0.958 277 E CB 0.919 30.636 29.700 0.029 0.000 0.968 277 E HN 0.305 nan 8.360 nan 0.000 0.451 278 I N 2.018 122.600 120.570 0.020 0.000 2.683 278 I HA -0.080 4.099 4.170 0.015 0.000 0.286 278 I C 1.014 177.141 176.117 0.015 0.000 1.175 278 I CA 0.461 61.766 61.300 0.007 0.000 1.429 278 I CB 0.243 38.242 38.000 -0.002 0.000 1.371 278 I HN 0.655 nan 8.210 nan 0.000 0.569 279 I N 1.621 122.196 120.570 0.007 0.000 4.139 279 I HA 0.312 4.491 4.170 0.015 0.000 0.320 279 I C -0.140 175.977 176.117 0.002 0.000 1.290 279 I CA 0.033 61.346 61.300 0.022 0.000 1.253 279 I CB 0.450 38.492 38.000 0.069 0.000 1.122 279 I HN 0.600 nan 8.210 nan 0.000 0.421 280 D N -0.542 119.845 120.400 -0.022 0.000 2.838 280 D HA 0.171 4.820 4.640 0.015 0.000 0.334 280 D C 0.260 176.544 176.300 -0.028 0.000 1.315 280 D CA -0.515 53.473 54.000 -0.020 0.000 0.917 280 D CB 0.436 41.223 40.800 -0.022 0.000 1.435 280 D HN -0.133 nan 8.370 nan 0.000 0.517 281 E N -1.002 119.184 120.200 -0.024 0.000 2.331 281 E HA -0.061 4.298 4.350 0.015 0.000 0.199 281 E C 1.176 177.756 176.600 -0.033 0.000 1.008 281 E CA 0.987 57.372 56.400 -0.024 0.000 0.843 281 E CB -0.049 29.640 29.700 -0.018 0.000 0.761 281 E HN 0.216 nan 8.360 nan 0.000 0.507 282 R N -0.330 120.141 120.500 -0.048 0.000 2.359 282 R HA 0.309 4.658 4.340 0.015 0.000 0.231 282 R C 0.772 177.028 176.300 -0.073 0.000 0.913 282 R CA 0.642 56.706 56.100 -0.059 0.000 1.075 282 R CB 0.624 30.881 30.300 -0.071 0.000 1.087 282 R HN 0.206 nan 8.270 nan 0.000 0.515 283 G N -0.475 108.285 108.800 -0.067 0.000 2.408 283 G HA2 -0.128 3.841 3.960 0.015 0.000 0.204 283 G HA3 -0.128 3.841 3.960 0.015 0.000 0.204 283 G C -0.213 174.633 174.900 -0.089 0.000 1.186 283 G CA -0.612 44.448 45.100 -0.066 0.000 1.139 283 G HN 0.474 nan 8.290 nan 0.000 0.563 284 G N -2.041 106.702 108.800 -0.095 0.000 3.105 284 G HA2 0.638 4.607 3.960 0.015 0.000 0.277 284 G HA3 0.638 4.607 3.960 0.015 0.000 0.277 284 G C -1.563 173.240 174.900 -0.161 0.000 1.375 284 G CA -0.695 44.353 45.100 -0.085 0.000 0.962 284 G HN 0.784 nan 8.290 nan 0.000 0.541 285 Y N 1.157 121.467 120.300 0.017 0.000 2.504 285 Y HA 0.411 4.969 4.550 0.014 0.000 0.351 285 Y C 1.494 177.414 175.900 0.034 0.000 0.988 285 Y CA 0.209 58.323 58.100 0.022 0.000 1.239 285 Y CB 1.596 40.075 38.460 0.031 0.000 1.128 285 Y HN 0.544 nan 8.280 nan 0.000 0.525 286 A N 1.826 124.712 122.820 0.109 0.000 2.121 286 A HA -0.142 4.187 4.320 0.015 0.000 0.218 286 A C 1.390 179.037 177.584 0.105 0.000 1.154 286 A CA 1.399 53.488 52.037 0.086 0.000 0.679 286 A CB -0.267 18.742 19.000 0.016 0.000 0.795 286 A HN 0.786 nan 8.150 nan 0.000 0.458 287 D N -0.826 119.635 120.400 0.102 0.000 2.388 287 D HA 0.131 4.780 4.640 0.015 0.000 0.221 287 D C 0.468 176.856 176.300 0.146 0.000 1.133 287 D CA -0.057 53.920 54.000 -0.037 0.000 0.831 287 D CB -0.012 40.752 40.800 -0.060 0.000 0.962 287 D HN 0.410 nan 8.370 nan 0.000 0.502 288 R N -0.792 119.912 120.500 0.340 0.000 2.836 288 R HA 0.757 5.106 4.340 0.015 0.000 0.269 288 R C -1.535 174.917 176.300 0.253 0.000 1.010 288 R CA -1.154 55.133 56.100 0.311 0.000 0.930 288 R CB 2.988 33.336 30.300 0.080 0.000 1.218 288 R HN -0.022 nan 8.270 nan 0.000 0.473 289 V N 0.103 120.050 119.914 0.056 0.000 3.120 289 V HA 0.528 4.657 4.120 0.015 0.000 0.303 289 V C -1.560 174.483 176.094 -0.084 0.000 1.238 289 V CA -0.290 61.962 62.300 -0.080 0.000 1.008 289 V CB 2.812 34.447 31.823 -0.313 0.000 1.064 289 V HN 0.817 nan 8.190 nan 0.000 0.434 290 T N 6.910 121.422 114.554 -0.070 0.000 2.812 290 T HA 0.620 4.979 4.350 0.015 0.000 0.282 290 T C -1.045 173.615 174.700 -0.066 0.000 0.990 290 T CA -0.401 61.664 62.100 -0.058 0.000 0.960 290 T CB 1.140 69.988 68.868 -0.034 0.000 0.948 290 T HN 0.462 nan 8.240 nan 0.000 0.438 291 L N 3.309 124.493 121.223 -0.065 0.000 2.331 291 L HA 0.618 4.967 4.340 0.015 0.000 0.275 291 L C 0.364 177.205 176.870 -0.050 0.000 1.022 291 L CA -0.546 54.255 54.840 -0.064 0.000 0.812 291 L CB 1.575 43.593 42.059 -0.068 0.000 1.257 291 L HN 0.561 nan 8.230 nan 0.000 0.435 292 R N 2.766 123.237 120.500 -0.048 0.000 2.513 292 R HA 0.662 5.011 4.340 0.015 0.000 0.301 292 R C -1.448 174.824 176.300 -0.046 0.000 0.968 292 R CA -0.888 55.185 56.100 -0.046 0.000 0.872 292 R CB 2.165 32.438 30.300 -0.044 0.000 1.177 292 R HN 0.242 nan 8.270 nan 0.000 0.444 293 L N 2.574 123.770 121.223 -0.045 0.000 2.341 293 L HA 0.380 4.729 4.340 0.015 0.000 0.278 293 L C -0.363 176.479 176.870 -0.046 0.000 1.005 293 L CA -0.459 54.354 54.840 -0.045 0.000 0.818 293 L CB 1.857 43.893 42.059 -0.037 0.000 1.259 293 L HN 0.508 nan 8.230 nan 0.000 0.418 294 N N 1.377 120.044 118.700 -0.055 0.000 2.455 294 N HA 0.616 5.365 4.740 0.015 0.000 0.280 294 N C -1.230 174.235 175.510 -0.076 0.000 1.055 294 N CA -0.349 52.665 53.050 -0.061 0.000 0.961 294 N CB 1.538 39.992 38.487 -0.055 0.000 1.121 294 N HN 0.235 nan 8.380 nan 0.000 0.476 295 V N 1.962 121.819 119.914 -0.096 0.000 2.483 295 V HA 0.275 4.404 4.120 0.015 0.000 0.297 295 V C -0.430 175.581 176.094 -0.139 0.000 1.027 295 V CA -0.871 61.335 62.300 -0.157 0.000 0.855 295 V CB 1.513 33.156 31.823 -0.301 0.000 0.995 295 V HN 0.559 nan 8.190 nan 0.000 0.424 296 E N 2.779 122.918 120.200 -0.101 0.000 2.283 296 E HA 0.298 4.657 4.350 0.015 0.000 0.278 296 E C 0.288 176.859 176.600 -0.049 0.000 1.027 296 E CA -0.415 55.951 56.400 -0.057 0.000 0.843 296 E CB 0.485 30.163 29.700 -0.036 0.000 1.062 296 E HN 0.714 nan 8.360 nan 0.000 0.401 297 N N 1.332 120.028 118.700 -0.007 0.000 2.686 297 N HA -0.159 4.590 4.740 0.015 0.000 0.261 297 N C -2.453 173.060 175.510 0.006 0.000 1.001 297 N CA 0.260 53.324 53.050 0.024 0.000 0.764 297 N CB -0.972 37.530 38.487 0.025 0.000 0.898 297 N HN 0.301 nan 8.380 nan 0.000 0.544 298 P HA 0.014 nan 4.420 nan 0.000 0.269 298 P C -0.362 176.973 177.300 0.058 0.000 1.209 298 P CA 0.229 63.246 63.100 -0.139 0.000 0.776 298 P CB 0.776 32.190 31.700 -0.477 0.000 0.876 299 K N 2.562 123.079 120.400 0.195 0.000 2.349 299 K HA 0.263 4.592 4.320 0.015 0.000 0.289 299 K C 0.181 176.942 176.600 0.268 0.000 1.064 299 K CA -0.310 56.090 56.287 0.188 0.000 0.947 299 K CB 0.165 32.740 32.500 0.125 0.000 1.007 299 K HN 0.437 nan 8.250 nan 0.000 0.478 300 L N 2.669 123.978 121.223 0.143 0.000 2.375 300 L HA 0.325 4.674 4.340 0.015 0.000 0.271 300 L C -0.040 176.892 176.870 0.103 0.000 1.107 300 L CA -0.870 54.047 54.840 0.129 0.000 0.806 300 L CB 0.446 42.426 42.059 -0.130 0.000 1.146 300 L HN 0.595 nan 8.230 nan 0.000 0.447 301 W N 3.172 124.485 121.300 0.021 0.000 2.417 301 W HA 0.512 5.180 4.660 0.013 0.000 0.317 301 W C -0.079 176.369 176.519 -0.118 0.000 1.121 301 W CA 0.060 57.404 57.345 -0.001 0.000 1.208 301 W CB 1.391 30.907 29.460 0.094 0.000 1.253 301 W HN 0.626 nan 8.180 nan 0.000 0.533 302 S N 3.030 118.200 115.700 -0.884 0.000 2.615 302 S HA 0.621 5.100 4.470 0.015 0.000 0.269 302 S C 0.142 173.943 174.600 -1.332 0.000 1.161 302 S CA -0.384 57.313 58.200 -0.839 0.000 0.817 302 S CB 1.148 64.071 63.200 -0.460 0.000 1.131 302 S HN 1.012 nan 8.310 nan 0.000 0.467 303 A N 0.686 122.848 122.820 -1.096 0.000 1.972 303 A HA -0.009 4.320 4.320 0.015 0.000 0.219 303 A C 1.782 179.011 177.584 -0.592 0.000 1.169 303 A CA 1.671 53.099 52.037 -1.016 0.000 0.635 303 A CB -1.025 17.244 19.000 -1.218 0.000 0.810 303 A HN 0.893 nan 8.150 nan 0.000 0.446 304 E N -0.804 119.188 120.200 -0.347 0.000 2.072 304 E HA -0.008 4.351 4.350 0.015 0.000 0.191 304 E C -0.153 176.294 176.600 -0.255 0.000 0.985 304 E CA 0.811 57.079 56.400 -0.220 0.000 0.801 304 E CB -0.047 29.662 29.700 0.015 0.000 0.750 304 E HN 0.629 nan 8.360 nan 0.000 0.452 305 I N 1.570 121.959 120.570 -0.301 0.000 2.595 305 I HA 0.145 4.324 4.170 0.015 0.000 0.276 305 I C -2.481 173.396 176.117 -0.399 0.000 1.109 305 I CA -1.766 59.382 61.300 -0.254 0.000 1.084 305 I CB 2.111 40.021 38.000 -0.150 0.000 1.206 305 I HN -0.209 nan 8.210 nan 0.000 0.486 306 P HA 0.061 nan 4.420 nan 0.000 0.226 306 P C -0.561 176.681 177.300 -0.095 0.000 1.783 306 P CA -0.168 62.575 63.100 -0.594 0.000 0.980 306 P CB -0.276 31.218 31.700 -0.343 0.000 1.967 307 N N 1.684 120.364 118.700 -0.033 0.000 2.454 307 N HA 0.131 4.880 4.740 0.015 0.000 0.260 307 N C 0.149 175.865 175.510 0.343 0.000 1.218 307 N CA 0.435 53.555 53.050 0.118 0.000 0.904 307 N CB 0.838 39.388 38.487 0.105 0.000 1.065 307 N HN 0.308 nan 8.380 nan 0.000 0.462 308 L N 2.103 123.451 121.223 0.209 0.000 2.371 308 L HA 0.483 4.832 4.340 0.015 0.000 0.262 308 L C -0.827 176.137 176.870 0.157 0.000 1.006 308 L CA -0.857 54.161 54.840 0.297 0.000 0.818 308 L CB 1.328 43.532 42.059 0.242 0.000 1.354 308 L HN 0.393 nan 8.230 nan 0.000 0.415 309 Y N 0.144 120.595 120.300 0.252 0.000 2.650 309 Y HA 0.669 5.228 4.550 0.015 0.000 0.331 309 Y C -0.215 175.803 175.900 0.196 0.000 1.082 309 Y CA -0.823 57.424 58.100 0.246 0.000 1.171 309 Y CB 1.631 40.299 38.460 0.347 0.000 1.326 309 Y HN 0.377 nan 8.280 nan 0.000 0.513 310 R N 0.935 121.673 120.500 0.396 0.000 2.480 310 R HA 0.794 5.143 4.340 0.015 0.000 0.306 310 R C -1.674 174.809 176.300 0.305 0.000 0.958 310 R CA -0.501 55.754 56.100 0.258 0.000 0.861 310 R CB 1.096 31.477 30.300 0.135 0.000 1.171 310 R HN 0.732 nan 8.270 nan 0.000 0.445 311 A N 3.834 126.771 122.820 0.195 0.000 2.304 311 A HA 0.631 4.960 4.320 0.015 0.000 0.323 311 A C -1.053 176.572 177.584 0.068 0.000 1.195 311 A CA -0.646 51.484 52.037 0.155 0.000 0.826 311 A CB 1.300 20.357 19.000 0.096 0.000 1.184 311 A HN 0.485 nan 8.150 nan 0.000 0.496 312 V N 3.363 123.326 119.914 0.082 0.000 2.448 312 V HA 0.382 4.511 4.120 0.015 0.000 0.295 312 V C -0.370 175.684 176.094 -0.067 0.000 1.025 312 V CA -0.512 61.772 62.300 -0.026 0.000 0.859 312 V CB 1.613 33.437 31.823 0.002 0.000 0.988 312 V HN 0.618 nan 8.190 nan 0.000 0.431 313 V N 4.912 124.713 119.914 -0.189 0.000 2.328 313 V HA 0.430 4.559 4.120 0.015 0.000 0.278 313 V C -0.061 175.962 176.094 -0.119 0.000 1.021 313 V CA -0.531 61.634 62.300 -0.225 0.000 0.838 313 V CB 1.168 32.672 31.823 -0.532 0.000 0.999 313 V HN 0.932 nan 8.190 nan 0.000 0.447 314 E N 3.959 124.145 120.200 -0.022 0.000 2.171 314 E HA 0.522 4.881 4.350 0.015 0.000 0.271 314 E C -1.087 175.596 176.600 0.138 0.000 0.916 314 E CA -0.917 55.522 56.400 0.063 0.000 0.774 314 E CB 2.583 32.340 29.700 0.096 0.000 1.128 314 E HN 0.450 nan 8.360 nan 0.000 0.403 315 L N 4.640 125.929 121.223 0.109 0.000 2.265 315 L HA 0.396 4.745 4.340 0.015 0.000 0.289 315 L C -1.005 175.959 176.870 0.158 0.000 1.033 315 L CA 0.072 54.971 54.840 0.099 0.000 0.814 315 L CB -0.217 41.892 42.059 0.083 0.000 1.203 315 L HN 0.702 nan 8.230 nan 0.000 0.423 316 H N 0.524 119.637 119.070 0.072 0.000 2.947 316 H HA 0.837 5.401 4.556 0.015 0.000 0.290 316 H C -0.802 174.597 175.328 0.119 0.000 1.430 316 H CA -0.440 55.653 56.048 0.075 0.000 1.189 316 H CB 0.899 30.685 29.762 0.039 0.000 1.875 316 H HN 0.460 nan 8.280 nan 0.000 0.568 317 T N -2.345 112.349 114.554 0.233 0.000 2.945 317 T HA 0.587 4.946 4.350 0.015 0.000 0.286 317 T C 1.293 176.135 174.700 0.236 0.000 1.025 317 T CA -0.413 61.807 62.100 0.201 0.000 1.039 317 T CB 1.625 70.566 68.868 0.122 0.000 1.068 317 T HN 0.954 nan 8.240 nan 0.000 0.497 318 A N 0.829 123.747 122.820 0.163 0.000 1.978 318 A HA -0.053 4.276 4.320 0.015 0.000 0.220 318 A C 1.785 179.446 177.584 0.129 0.000 1.170 318 A CA 1.446 53.568 52.037 0.141 0.000 0.636 318 A CB -0.799 18.264 19.000 0.105 0.000 0.810 318 A HN 0.901 nan 8.150 nan 0.000 0.448 319 D N -1.356 119.099 120.400 0.092 0.000 2.336 319 D HA 0.260 4.909 4.640 0.015 0.000 0.229 319 D C 1.241 177.571 176.300 0.049 0.000 1.061 319 D CA 1.027 55.057 54.000 0.050 0.000 0.875 319 D CB 0.133 40.938 40.800 0.009 0.000 0.904 319 D HN 0.618 nan 8.370 nan 0.000 0.525 320 G N 0.641 109.501 108.800 0.099 0.000 2.159 320 G HA2 -0.226 3.743 3.960 0.015 0.000 0.227 320 G HA3 -0.226 3.743 3.960 0.015 0.000 0.227 320 G C 0.500 175.429 174.900 0.048 0.000 0.986 320 G CA -0.079 45.053 45.100 0.053 0.000 0.651 320 G HN 0.261 nan 8.290 nan 0.000 0.523 321 T N 1.303 115.903 114.554 0.077 0.000 2.817 321 T HA 0.533 4.891 4.350 0.015 0.000 0.293 321 T C 0.221 174.986 174.700 0.108 0.000 0.964 321 T CA -0.205 61.931 62.100 0.060 0.000 1.085 321 T CB 1.819 70.703 68.868 0.028 0.000 0.921 321 T HN 0.560 nan 8.240 nan 0.000 0.502 322 L N 4.526 125.797 121.223 0.079 0.000 2.331 322 L HA 0.393 4.742 4.340 0.015 0.000 0.278 322 L C 0.630 177.555 176.870 0.092 0.000 1.106 322 L CA 0.325 55.227 54.840 0.103 0.000 0.824 322 L CB 0.306 42.398 42.059 0.056 0.000 1.142 322 L HN 0.685 nan 8.230 nan 0.000 0.443 323 I N 2.771 123.404 120.570 0.105 0.000 2.556 323 I HA 0.145 4.324 4.170 0.015 0.000 0.251 323 I C 0.245 176.385 176.117 0.038 0.000 1.105 323 I CA 0.574 61.915 61.300 0.069 0.000 1.436 323 I CB 0.158 38.203 38.000 0.075 0.000 1.139 323 I HN 0.832 nan 8.210 nan 0.000 0.438 324 E N -0.362 119.862 120.200 0.041 0.000 2.403 324 E HA 0.708 5.067 4.350 0.015 0.000 0.280 324 E C -1.496 175.122 176.600 0.030 0.000 1.101 324 E CA -1.133 55.280 56.400 0.021 0.000 0.856 324 E CB 1.335 31.010 29.700 -0.042 0.000 1.303 324 E HN -0.058 nan 8.360 nan 0.000 0.441 325 A N 1.008 123.866 122.820 0.063 0.000 2.435 325 A HA 0.734 5.063 4.320 0.015 0.000 0.304 325 A C -1.023 176.639 177.584 0.130 0.000 1.064 325 A CA -0.723 51.350 52.037 0.060 0.000 0.727 325 A CB 1.731 20.767 19.000 0.061 0.000 1.284 325 A HN 0.507 nan 8.150 nan 0.000 0.415 326 E N -0.485 119.722 120.200 0.011 0.000 2.355 326 E HA 0.848 5.207 4.350 0.015 0.000 0.261 326 E C -0.549 176.061 176.600 0.017 0.000 0.943 326 E CA -0.523 55.940 56.400 0.104 0.000 0.806 326 E CB 2.369 32.053 29.700 -0.027 0.000 1.286 326 E HN 1.236 nan 8.360 nan 0.000 0.424 327 A N -0.146 122.813 122.820 0.232 0.000 2.586 327 A HA 0.695 5.024 4.320 0.015 0.000 0.291 327 A C -1.143 176.632 177.584 0.317 0.000 1.062 327 A CA -0.406 51.691 52.037 0.100 0.000 0.666 327 A CB 0.688 19.627 19.000 -0.102 0.000 1.281 327 A HN 0.853 nan 8.150 nan 0.000 0.421 328 C N -0.514 118.922 119.300 0.227 0.000 3.311 328 C HA 0.827 5.296 4.460 0.015 0.000 0.325 328 C C -1.360 173.721 174.990 0.152 0.000 1.352 328 C CA -0.907 58.251 59.018 0.234 0.000 1.308 328 C CB 1.121 29.026 27.740 0.275 0.000 1.619 328 C HN 0.817 nan 8.230 nan 0.000 0.469 329 D N 0.990 121.467 120.400 0.129 0.000 2.302 329 D HA 0.572 5.221 4.640 0.015 0.000 0.248 329 D C -0.381 175.975 176.300 0.093 0.000 1.094 329 D CA 0.140 54.218 54.000 0.130 0.000 0.897 329 D CB 1.855 42.736 40.800 0.135 0.000 1.200 329 D HN 0.552 nan 8.370 nan 0.000 0.429 330 V N 1.115 121.109 119.914 0.134 0.000 2.540 330 V HA 0.666 4.795 4.120 0.015 0.000 0.302 330 V C 0.549 176.714 176.094 0.120 0.000 1.035 330 V CA -0.847 61.477 62.300 0.039 0.000 0.873 330 V CB 2.068 33.894 31.823 0.005 0.000 0.992 330 V HN 0.606 nan 8.190 nan 0.000 0.428 331 G N 3.090 111.858 108.800 -0.053 0.000 2.437 331 G HA2 0.600 4.569 3.960 0.015 0.000 0.315 331 G HA3 0.600 4.569 3.960 0.015 0.000 0.315 331 G C -0.999 173.969 174.900 0.114 0.000 1.210 331 G CA -0.366 44.782 45.100 0.079 0.000 0.943 331 G HN 0.427 nan 8.290 nan 0.000 0.471 332 F N 4.055 124.197 119.950 0.321 0.000 2.434 332 F HA 0.430 4.965 4.527 0.014 0.000 0.358 332 F C 1.137 177.165 175.800 0.380 0.000 1.136 332 F CA -0.166 58.074 58.000 0.400 0.000 1.157 332 F CB 0.694 39.958 39.000 0.439 0.000 1.167 332 F HN 0.437 nan 8.300 nan 0.000 0.539 333 R N 3.029 123.788 120.500 0.433 0.000 2.680 333 R HA 0.440 4.788 4.340 0.015 0.000 0.269 333 R C -1.754 174.690 176.300 0.239 0.000 1.026 333 R CA -0.802 55.413 56.100 0.191 0.000 0.889 333 R CB 1.642 32.093 30.300 0.251 0.000 1.241 333 R HN 0.588 nan 8.270 nan 0.000 0.463 334 E N 2.043 122.295 120.200 0.087 0.000 2.183 334 E HA 0.479 4.838 4.350 0.015 0.000 0.271 334 E C -1.228 175.445 176.600 0.123 0.000 0.919 334 E CA -0.941 55.595 56.400 0.226 0.000 0.781 334 E CB 2.075 31.973 29.700 0.330 0.000 1.140 334 E HN 0.400 nan 8.360 nan 0.000 0.402 335 V N 5.448 125.430 119.914 0.113 0.000 2.487 335 V HA 0.569 4.698 4.120 0.015 0.000 0.298 335 V C -0.246 175.891 176.094 0.072 0.000 1.028 335 V CA -0.683 61.653 62.300 0.060 0.000 0.860 335 V CB 1.319 33.154 31.823 0.019 0.000 0.991 335 V HN 0.745 nan 8.190 nan 0.000 0.427 336 R N 4.266 124.806 120.500 0.066 0.000 2.710 336 R HA 0.744 5.093 4.340 0.015 0.000 0.270 336 R C -2.093 174.237 176.300 0.050 0.000 1.021 336 R CA -0.923 55.217 56.100 0.068 0.000 0.889 336 R CB 2.034 32.389 30.300 0.091 0.000 1.243 336 R HN 0.522 nan 8.270 nan 0.000 0.464 337 I N 1.329 121.928 120.570 0.049 0.000 2.354 337 I HA 0.360 4.539 4.170 0.015 0.000 0.292 337 I C -0.655 175.488 176.117 0.042 0.000 0.989 337 I CA -0.420 60.903 61.300 0.038 0.000 1.188 337 I CB 1.881 39.906 38.000 0.040 0.000 1.342 337 I HN 0.730 nan 8.210 nan 0.000 0.457 338 E N 5.791 126.013 120.200 0.036 0.000 2.321 338 E HA 0.289 4.647 4.350 0.015 0.000 0.278 338 E C -0.243 176.374 176.600 0.028 0.000 0.902 338 E CA -0.526 55.897 56.400 0.038 0.000 0.758 338 E CB 1.093 30.821 29.700 0.046 0.000 1.213 338 E HN 0.509 nan 8.360 nan 0.000 0.426 339 N N 2.885 121.601 118.700 0.027 0.000 2.714 339 N HA -0.224 4.525 4.740 0.015 0.000 0.250 339 N C 0.505 176.025 175.510 0.016 0.000 1.117 339 N CA 2.221 55.284 53.050 0.021 0.000 0.719 339 N CB -1.170 37.328 38.487 0.018 0.000 1.081 339 N HN 1.044 nan 8.380 nan 0.000 0.557 340 G N -2.318 106.493 108.800 0.017 0.000 2.175 340 G HA2 -0.277 3.692 3.960 0.015 0.000 0.244 340 G HA3 -0.277 3.692 3.960 0.015 0.000 0.244 340 G C -0.118 174.782 174.900 -0.000 0.000 0.982 340 G CA 0.425 45.532 45.100 0.011 0.000 0.641 340 G HN 0.434 nan 8.290 nan 0.000 0.527 341 L N 0.364 121.587 121.223 0.001 0.000 2.346 341 L HA 0.684 5.033 4.340 0.015 0.000 0.276 341 L C 0.148 177.013 176.870 -0.009 0.000 1.006 341 L CA -1.309 53.524 54.840 -0.012 0.000 0.817 341 L CB 1.870 43.921 42.059 -0.013 0.000 1.272 341 L HN 0.093 nan 8.230 nan 0.000 0.421 342 L N 4.923 126.128 121.223 -0.029 0.000 2.385 342 L HA 0.373 4.722 4.340 0.015 0.000 0.281 342 L C -0.765 176.086 176.870 -0.031 0.000 1.106 342 L CA 0.491 55.313 54.840 -0.030 0.000 0.856 342 L CB 0.021 42.048 42.059 -0.054 0.000 1.186 342 L HN 0.387 nan 8.230 nan 0.000 0.453 343 L N 5.971 127.193 121.223 -0.002 0.000 2.334 343 L HA 0.534 4.883 4.340 0.015 0.000 0.276 343 L C -0.687 176.195 176.870 0.020 0.000 1.014 343 L CA -0.776 54.072 54.840 0.014 0.000 0.815 343 L CB 1.848 43.936 42.059 0.049 0.000 1.268 343 L HN 0.535 nan 8.230 nan 0.000 0.428 344 L N 3.999 125.244 121.223 0.037 0.000 2.325 344 L HA 0.478 4.827 4.340 0.015 0.000 0.281 344 L C -0.224 176.666 176.870 0.033 0.000 1.004 344 L CA -0.101 54.764 54.840 0.042 0.000 0.823 344 L CB 0.858 42.945 42.059 0.046 0.000 1.236 344 L HN 0.622 nan 8.230 nan 0.000 0.415 345 N N 4.044 122.632 118.700 -0.187 0.000 2.721 345 N HA -0.220 4.528 4.740 0.015 0.000 0.249 345 N C 0.912 176.111 175.510 -0.518 0.000 1.072 345 N CA 1.286 53.904 53.050 -0.719 0.000 0.710 345 N CB -1.359 36.598 38.487 -0.884 0.000 0.993 345 N HN 1.162 nan 8.380 nan 0.000 0.547 346 G N -2.018 106.750 108.800 -0.053 0.000 2.184 346 G HA2 -0.360 3.609 3.960 0.015 0.000 0.264 346 G HA3 -0.360 3.609 3.960 0.015 0.000 0.264 346 G C -0.042 174.896 174.900 0.064 0.000 0.975 346 G CA 0.949 46.120 45.100 0.118 0.000 0.642 346 G HN 0.422 nan 8.290 nan 0.000 0.536 347 K N 0.754 121.185 120.400 0.052 0.000 2.207 347 K HA 0.544 4.873 4.320 0.015 0.000 0.255 347 K C -2.770 173.815 176.600 -0.026 0.000 0.941 347 K CA -2.251 54.025 56.287 -0.019 0.000 0.825 347 K CB 2.440 34.842 32.500 -0.164 0.000 1.119 347 K HN 0.056 nan 8.250 nan 0.000 0.430 348 P HA 0.221 nan 4.420 nan 0.000 0.282 348 P C -0.073 177.174 177.300 -0.087 0.000 1.262 348 P CA -0.285 62.778 63.100 -0.062 0.000 0.773 348 P CB 0.554 32.216 31.700 -0.063 0.000 0.879 349 L N 3.237 124.404 121.223 -0.094 0.000 2.464 349 L HA 0.265 4.614 4.340 0.015 0.000 0.264 349 L C 0.682 177.479 176.870 -0.123 0.000 1.199 349 L CA -0.518 54.256 54.840 -0.109 0.000 0.818 349 L CB 0.206 42.154 42.059 -0.185 0.000 1.102 349 L HN 0.268 nan 8.230 nan 0.000 0.473 350 L N 3.461 124.627 121.223 -0.096 0.000 2.401 350 L HA 0.406 4.755 4.340 0.015 0.000 0.263 350 L C -0.528 176.295 176.870 -0.080 0.000 1.004 350 L CA -0.204 54.559 54.840 -0.129 0.000 0.881 350 L CB 0.785 42.797 42.059 -0.080 0.000 1.219 350 L HN 0.246 nan 8.230 nan 0.000 0.441 351 I N 4.668 125.121 120.570 -0.196 0.000 2.421 351 I HA 0.179 4.358 4.170 0.015 0.000 0.291 351 I C 0.657 176.739 176.117 -0.057 0.000 1.089 351 I CA 0.257 61.455 61.300 -0.169 0.000 1.354 351 I CB 0.388 38.153 38.000 -0.391 0.000 1.413 351 I HN 0.549 nan 8.210 nan 0.000 0.513 352 R N 4.779 125.342 120.500 0.105 0.000 3.070 352 R HA 0.408 4.757 4.340 0.015 0.000 0.252 352 R C 0.554 177.000 176.300 0.244 0.000 1.370 352 R CA -0.264 55.946 56.100 0.184 0.000 1.482 352 R CB 0.678 30.909 30.300 -0.116 0.000 1.220 352 R HN 0.764 nan 8.270 nan 0.000 0.622 353 G N 0.091 108.993 108.800 0.169 0.000 2.509 353 G HA2 0.556 4.525 3.960 0.015 0.000 0.328 353 G HA3 0.556 4.525 3.960 0.015 0.000 0.328 353 G C -1.262 173.941 174.900 0.505 0.000 1.194 353 G CA -0.420 44.744 45.100 0.106 0.000 0.967 353 G HN 0.222 nan 8.290 nan 0.000 0.488 354 V N 0.205 120.370 119.914 0.418 0.000 2.971 354 V HA 0.473 4.602 4.120 0.015 0.000 0.309 354 V C -1.032 175.188 176.094 0.211 0.000 1.130 354 V CA -1.224 61.198 62.300 0.204 0.000 0.964 354 V CB 2.203 33.818 31.823 -0.347 0.000 1.029 354 V HN 0.764 nan 8.190 nan 0.000 0.427 355 N N 4.186 122.932 118.700 0.076 0.000 2.518 355 N HA 0.459 5.207 4.740 0.015 0.000 0.283 355 N C -0.752 174.558 175.510 -0.335 0.000 1.119 355 N CA -0.315 52.647 53.050 -0.146 0.000 0.983 355 N CB 1.523 39.867 38.487 -0.238 0.000 1.139 355 N HN 0.626 nan 8.380 nan 0.000 0.465 356 R N 1.896 122.164 120.500 -0.388 0.000 2.510 356 R HA 0.209 4.558 4.340 0.015 0.000 0.294 356 R C -0.997 175.050 176.300 -0.422 0.000 1.056 356 R CA -0.548 55.343 56.100 -0.348 0.000 0.918 356 R CB 0.830 30.921 30.300 -0.348 0.000 1.187 356 R HN 0.598 nan 8.270 nan 0.000 0.437 357 H N 2.097 121.020 119.070 -0.244 0.000 2.547 357 H HA 0.127 4.692 4.556 0.015 0.000 0.362 357 H C -0.478 174.852 175.328 0.004 0.000 1.181 357 H CA 0.087 56.095 56.048 -0.066 0.000 1.376 357 H CB 1.439 31.228 29.762 0.046 0.000 1.488 357 H HN 0.547 nan 8.280 nan 0.000 0.583 358 E N 1.809 122.196 120.200 0.311 0.000 2.001 358 E HA 0.107 4.466 4.350 0.015 0.000 0.279 358 E C -0.749 175.992 176.600 0.233 0.000 1.045 358 E CA -0.044 56.459 56.400 0.170 0.000 0.833 358 E CB 0.273 30.098 29.700 0.209 0.000 1.077 358 E HN 0.383 nan 8.360 nan 0.000 0.397 359 H N 1.709 120.836 119.070 0.096 0.000 2.865 359 H HA 0.284 4.849 4.556 0.015 0.000 0.362 359 H C -1.675 173.707 175.328 0.090 0.000 1.114 359 H CA -0.669 55.433 56.048 0.091 0.000 1.208 359 H CB 1.123 30.929 29.762 0.073 0.000 1.727 359 H HN 0.395 nan 8.280 nan 0.000 0.534 360 H N 5.921 124.561 119.070 -0.716 0.000 2.759 360 H HA 0.218 4.783 4.556 0.015 0.000 0.354 360 H C -2.356 172.592 175.328 -0.633 0.000 1.074 360 H CA -2.377 53.397 56.048 -0.457 0.000 1.226 360 H CB 2.719 32.355 29.762 -0.211 0.000 1.648 360 H HN 0.524 nan 8.280 nan 0.000 0.529 361 P HA -0.076 nan 4.420 nan 0.000 0.222 361 P C 1.147 178.372 177.300 -0.125 0.000 1.147 361 P CA 0.882 63.855 63.100 -0.211 0.000 0.790 361 P CB 0.772 32.373 31.700 -0.165 0.000 0.780 362 L N -2.208 119.043 121.223 0.047 0.000 2.467 362 L HA 0.141 4.490 4.340 0.015 0.000 0.213 362 L C 2.056 178.731 176.870 -0.325 0.000 1.053 362 L CA 0.557 55.284 54.840 -0.188 0.000 0.847 362 L CB -0.675 41.125 42.059 -0.431 0.000 1.075 362 L HN -0.000 nan 8.230 nan 0.000 0.479 363 H N -0.321 118.681 119.070 -0.113 0.000 2.551 363 H HA 0.308 4.873 4.556 0.015 0.000 0.271 363 H C 1.411 176.617 175.328 -0.203 0.000 0.984 363 H CA 0.230 56.124 56.048 -0.256 0.000 1.164 363 H CB 0.530 30.035 29.762 -0.429 0.000 1.437 363 H HN 0.374 nan 8.280 nan 0.000 0.550 364 G N 1.463 110.163 108.800 -0.168 0.000 2.536 364 G HA2 -0.372 3.597 3.960 0.015 0.000 0.277 364 G HA3 -0.372 3.597 3.960 0.015 0.000 0.277 364 G C 0.585 175.394 174.900 -0.151 0.000 1.155 364 G CA 0.279 45.242 45.100 -0.230 0.000 0.960 364 G HN 0.449 nan 8.290 nan 0.000 0.544 365 Q N -0.045 119.700 119.800 -0.093 0.000 2.188 365 Q HA 0.467 4.816 4.340 0.015 0.000 0.212 365 Q C 0.177 176.286 176.000 0.180 0.000 0.846 365 Q CA -0.139 55.666 55.803 0.003 0.000 0.989 365 Q CB 1.391 30.031 28.738 -0.163 0.000 1.114 365 Q HN 0.373 nan 8.270 nan 0.000 0.488 366 V N 2.148 122.134 119.914 0.120 0.000 2.455 366 V HA 0.180 4.309 4.120 0.015 0.000 0.273 366 V C 0.178 176.316 176.094 0.073 0.000 1.045 366 V CA 0.172 62.543 62.300 0.118 0.000 0.976 366 V CB 0.819 32.647 31.823 0.009 0.000 0.993 366 V HN 0.334 nan 8.190 nan 0.000 0.475 367 M N 4.787 124.430 119.600 0.072 0.000 2.472 367 M HA 0.487 4.976 4.480 0.015 0.000 0.331 367 M C -0.466 175.772 176.300 -0.104 0.000 1.170 367 M CA -0.556 54.736 55.300 -0.012 0.000 1.009 367 M CB 1.673 34.231 32.600 -0.070 0.000 1.672 367 M HN 0.929 nan 8.290 nan 0.000 0.453 368 D N -1.098 119.259 120.400 -0.072 0.000 2.490 368 D HA 0.265 4.914 4.640 0.015 0.000 0.232 368 D C 0.430 176.706 176.300 -0.040 0.000 1.053 368 D CA -0.705 53.256 54.000 -0.065 0.000 0.914 368 D CB 1.563 42.358 40.800 -0.009 0.000 1.431 368 D HN 0.693 nan 8.370 nan 0.000 0.483 369 E N 0.030 120.218 120.200 -0.020 0.000 2.085 369 E HA -0.334 4.024 4.350 0.015 0.000 0.194 369 E C 1.637 178.279 176.600 0.070 0.000 0.994 369 E CA 1.263 57.682 56.400 0.031 0.000 0.801 369 E CB 0.101 29.835 29.700 0.057 0.000 0.743 369 E HN 0.616 nan 8.360 nan 0.000 0.453 370 Q N -0.315 119.529 119.800 0.073 0.000 2.084 370 Q HA -0.152 4.197 4.340 0.015 0.000 0.202 370 Q C 2.024 178.084 176.000 0.100 0.000 0.978 370 Q CA 1.996 57.852 55.803 0.089 0.000 0.844 370 Q CB -0.023 28.770 28.738 0.091 0.000 0.898 370 Q HN 0.316 nan 8.270 nan 0.000 0.426 371 T N 0.854 115.474 114.554 0.110 0.000 2.777 371 T HA -0.109 4.250 4.350 0.015 0.000 0.266 371 T C 1.855 176.627 174.700 0.120 0.000 1.040 371 T CA 1.276 63.451 62.100 0.125 0.000 1.141 371 T CB -0.116 68.852 68.868 0.165 0.000 0.868 371 T HN 0.288 nan 8.240 nan 0.000 0.444 372 M N 0.483 120.158 119.600 0.124 0.000 2.117 372 M HA -0.102 4.387 4.480 0.015 0.000 0.262 372 M C 2.429 178.854 176.300 0.208 0.000 1.065 372 M CA 1.317 56.762 55.300 0.240 0.000 1.114 372 M CB -0.532 32.237 32.600 0.283 0.000 1.361 372 M HN 0.113 nan 8.290 nan 0.000 0.408 373 V N 0.253 120.229 119.914 0.103 0.000 2.295 373 V HA -0.310 3.819 4.120 0.015 0.000 0.246 373 V C 2.323 178.400 176.094 -0.028 0.000 1.049 373 V CA 2.146 64.442 62.300 -0.008 0.000 1.024 373 V CB -0.883 30.976 31.823 0.059 0.000 0.648 373 V HN 0.569 nan 8.190 nan 0.000 0.447 374 Q N -0.288 119.545 119.800 0.055 0.000 2.096 374 Q HA -0.288 4.061 4.340 0.015 0.000 0.204 374 Q C 1.954 178.015 176.000 0.101 0.000 0.982 374 Q CA 2.287 58.137 55.803 0.078 0.000 0.850 374 Q CB -0.170 28.631 28.738 0.105 0.000 0.901 374 Q HN 0.618 nan 8.270 nan 0.000 0.422 375 D N 0.280 120.755 120.400 0.125 0.000 2.097 375 D HA -0.121 4.528 4.640 0.015 0.000 0.197 375 D C 1.954 178.209 176.300 -0.076 0.000 0.984 375 D CA 1.115 55.189 54.000 0.123 0.000 0.826 375 D CB -0.185 40.663 40.800 0.080 0.000 0.973 375 D HN 0.362 nan 8.370 nan 0.000 0.460 376 I N 0.642 121.161 120.570 -0.084 0.000 2.226 376 I HA -0.238 3.941 4.170 0.015 0.000 0.245 376 I C 2.420 178.390 176.117 -0.245 0.000 1.100 376 I CA 0.647 61.789 61.300 -0.264 0.000 1.374 376 I CB -0.136 37.574 38.000 -0.485 0.000 1.057 376 I HN -0.002 nan 8.210 nan 0.000 0.413 377 L N 0.075 121.189 121.223 -0.183 0.000 2.046 377 L HA -0.230 4.119 4.340 0.015 0.000 0.208 377 L C 2.550 179.472 176.870 0.087 0.000 1.077 377 L CA 1.398 56.216 54.840 -0.036 0.000 0.747 377 L CB -0.515 41.549 42.059 0.008 0.000 0.896 377 L HN 0.289 nan 8.230 nan 0.000 0.432 378 L N -1.037 120.260 121.223 0.123 0.000 2.083 378 L HA -0.230 4.119 4.340 0.015 0.000 0.209 378 L C 2.656 179.679 176.870 0.255 0.000 1.083 378 L CA 1.228 56.226 54.840 0.262 0.000 0.752 378 L CB -0.275 42.054 42.059 0.451 0.000 0.899 378 L HN 0.294 nan 8.230 nan 0.000 0.433 379 M N -0.561 119.009 119.600 -0.049 0.000 2.067 379 M HA -0.247 4.242 4.480 0.015 0.000 0.260 379 M C 2.269 178.649 176.300 0.132 0.000 1.069 379 M CA 1.911 57.117 55.300 -0.157 0.000 1.117 379 M CB -0.345 31.928 32.600 -0.546 0.000 1.334 379 M HN 0.047 nan 8.290 nan 0.000 0.407 380 K N -0.054 120.327 120.400 -0.030 0.000 2.097 380 K HA -0.172 4.157 4.320 0.015 0.000 0.206 380 K C 1.990 178.594 176.600 0.008 0.000 1.049 380 K CA 1.302 57.478 56.287 -0.185 0.000 0.933 380 K CB -0.209 31.973 32.500 -0.530 0.000 0.717 380 K HN 0.424 nan 8.250 nan 0.000 0.442 381 Q N 0.339 120.289 119.800 0.250 0.000 2.364 381 Q HA -0.042 4.307 4.340 0.015 0.000 0.209 381 Q C 0.689 176.979 176.000 0.482 0.000 0.977 381 Q CA 0.733 56.777 55.803 0.402 0.000 0.885 381 Q CB 0.160 29.103 28.738 0.342 0.000 0.941 381 Q HN 0.258 nan 8.270 nan 0.000 0.464 382 N N 0.595 119.533 118.700 0.397 0.000 2.321 382 N HA 0.059 4.808 4.740 0.015 0.000 0.242 382 N C -0.686 174.912 175.510 0.147 0.000 1.141 382 N CA 0.022 53.294 53.050 0.370 0.000 0.864 382 N CB 0.712 39.494 38.487 0.492 0.000 1.100 382 N HN 0.150 nan 8.380 nan 0.000 0.510 383 N N 0.193 118.998 118.700 0.175 0.000 2.741 383 N HA -0.190 4.559 4.740 0.015 0.000 0.250 383 N C -0.824 174.624 175.510 -0.103 0.000 1.115 383 N CA 0.802 53.930 53.050 0.130 0.000 0.724 383 N CB -1.749 36.743 38.487 0.008 0.000 1.090 383 N HN 0.266 nan 8.380 nan 0.000 0.558 384 F N 1.069 121.048 119.950 0.048 0.000 2.375 384 F HA 0.290 4.826 4.527 0.014 0.000 0.333 384 F C 1.783 177.581 175.800 -0.004 0.000 1.104 384 F CA -0.511 57.496 58.000 0.012 0.000 1.149 384 F CB 0.786 39.761 39.000 -0.041 0.000 1.190 384 F HN 0.054 nan 8.300 nan 0.000 0.533 385 N N 0.635 119.455 118.700 0.200 0.000 2.160 385 N HA 0.436 5.185 4.740 0.015 0.000 0.226 385 N C -0.889 174.662 175.510 0.068 0.000 1.256 385 N CA -0.025 53.063 53.050 0.063 0.000 0.890 385 N CB 0.771 39.343 38.487 0.142 0.000 1.116 385 N HN 0.476 nan 8.380 nan 0.000 0.517 386 A N -0.502 122.431 122.820 0.189 0.000 2.604 386 A HA 0.737 5.066 4.320 0.015 0.000 0.295 386 A C -1.798 175.998 177.584 0.352 0.000 1.067 386 A CA -0.699 51.511 52.037 0.288 0.000 0.683 386 A CB 1.793 20.968 19.000 0.291 0.000 1.281 386 A HN 0.204 nan 8.150 nan 0.000 0.407 387 V N 1.369 121.555 119.914 0.454 0.000 2.841 387 V HA 0.823 4.952 4.120 0.015 0.000 0.310 387 V C -0.629 175.638 176.094 0.287 0.000 1.090 387 V CA -0.719 61.809 62.300 0.379 0.000 0.930 387 V CB 1.911 33.880 31.823 0.243 0.000 1.014 387 V HN 1.120 nan 8.190 nan 0.000 0.425 388 R N 4.880 125.391 120.500 0.018 0.000 2.387 388 R HA 0.491 4.840 4.340 0.015 0.000 0.314 388 R C -0.831 175.328 176.300 -0.234 0.000 0.958 388 R CA -0.475 55.437 56.100 -0.312 0.000 0.846 388 R CB 1.165 31.044 30.300 -0.702 0.000 1.147 388 R HN 0.800 nan 8.270 nan 0.000 0.447 389 C N 4.441 123.629 119.300 -0.187 0.000 2.896 389 C HA 0.127 4.596 4.460 0.015 0.000 0.499 389 C C 0.469 175.177 174.990 -0.471 0.000 1.022 389 C CA -0.472 58.385 59.018 -0.268 0.000 1.127 389 C CB -2.051 25.644 27.740 -0.076 0.000 1.452 389 C HN 0.725 nan 8.230 nan 0.000 0.580 390 S N 1.476 116.777 115.700 -0.665 0.000 2.465 390 S HA 0.181 4.660 4.470 0.015 0.000 0.280 390 S C -0.102 173.618 174.600 -1.467 0.000 1.232 390 S CA 0.111 57.651 58.200 -1.099 0.000 1.066 390 S CB 0.128 62.634 63.200 -1.157 0.000 0.929 390 S HN 0.736 nan 8.310 nan 0.000 0.494 391 H N 3.508 121.955 119.070 -1.038 0.000 2.511 391 H HA 0.309 4.874 4.556 0.015 0.000 0.228 391 H C -1.229 173.978 175.328 -0.202 0.000 1.424 391 H CA -0.346 55.493 56.048 -0.349 0.000 1.321 391 H CB -0.120 29.642 29.762 0.001 0.000 1.720 391 H HN 0.888 nan 8.280 nan 0.000 0.512 392 Y N -2.827 117.580 120.300 0.179 0.000 2.732 392 Y HA 0.391 4.950 4.550 0.016 0.000 0.342 392 Y C -3.256 172.753 175.900 0.182 0.000 1.203 392 Y CA -3.088 55.124 58.100 0.187 0.000 1.092 392 Y CB 0.038 38.612 38.460 0.191 0.000 1.345 392 Y HN -0.089 nan 8.280 nan 0.000 0.458 393 P HA 0.124 nan 4.420 nan 0.000 0.268 393 P C -0.601 176.989 177.300 0.483 0.000 1.204 393 P CA 0.251 63.600 63.100 0.415 0.000 0.768 393 P CB 0.554 32.431 31.700 0.294 0.000 0.842 394 N N 0.693 119.693 118.700 0.499 0.000 2.447 394 N HA 0.084 4.833 4.740 0.015 0.000 0.271 394 N C 0.152 175.903 175.510 0.402 0.000 1.226 394 N CA -0.594 52.666 53.050 0.349 0.000 0.980 394 N CB 0.350 38.843 38.487 0.010 0.000 1.206 394 N HN 0.596 nan 8.380 nan 0.000 0.558 395 H N 2.262 121.434 119.070 0.170 0.000 3.064 395 H HA -0.008 4.557 4.556 0.015 0.000 0.329 395 H C -1.602 173.889 175.328 0.270 0.000 1.020 395 H CA -0.757 55.376 56.048 0.142 0.000 1.402 395 H CB 0.973 30.779 29.762 0.075 0.000 1.379 395 H HN 0.437 nan 8.280 nan 0.000 0.594 396 P HA -0.223 nan 4.420 nan 0.000 0.216 396 P C 1.803 179.408 177.300 0.508 0.000 1.150 396 P CA 0.786 64.110 63.100 0.373 0.000 0.843 396 P CB 0.222 31.998 31.700 0.126 0.000 0.787 397 L N -1.039 120.570 121.223 0.643 0.000 2.265 397 L HA -0.045 4.304 4.340 0.015 0.000 0.215 397 L C 2.386 179.437 176.870 0.302 0.000 1.117 397 L CA 1.304 56.393 54.840 0.415 0.000 0.782 397 L CB -1.482 40.767 42.059 0.315 0.000 0.914 397 L HN 0.036 nan 8.230 nan 0.000 0.441 398 W N -0.627 120.707 121.300 0.057 0.000 2.342 398 W HA -0.313 4.355 4.660 0.014 0.000 0.297 398 W C 1.974 178.339 176.519 -0.258 0.000 1.213 398 W CA 1.694 58.931 57.345 -0.181 0.000 1.251 398 W CB -0.282 28.960 29.460 -0.363 0.000 1.136 398 W HN 0.273 nan 8.180 nan 0.000 0.526 399 Y N 0.703 120.927 120.300 -0.127 0.000 2.242 399 Y HA -0.205 4.354 4.550 0.014 0.000 0.291 399 Y C 2.840 178.515 175.900 -0.375 0.000 1.137 399 Y CA 2.117 59.924 58.100 -0.488 0.000 1.181 399 Y CB -1.190 36.633 38.460 -1.063 0.000 0.989 399 Y HN -0.234 nan 8.280 nan 0.000 0.527 400 T N 0.707 115.279 114.554 0.031 0.000 2.708 400 T HA -0.161 4.198 4.350 0.015 0.000 0.266 400 T C 2.004 176.747 174.700 0.071 0.000 1.037 400 T CA 1.437 63.632 62.100 0.159 0.000 1.146 400 T CB -0.558 68.446 68.868 0.226 0.000 0.865 400 T HN 0.230 nan 8.240 nan 0.000 0.435 401 L N 0.371 121.593 121.223 -0.001 0.000 2.056 401 L HA -0.098 4.251 4.340 0.015 0.000 0.207 401 L C 2.900 179.742 176.870 -0.046 0.000 1.078 401 L CA 0.922 55.780 54.840 0.031 0.000 0.749 401 L CB -0.735 41.300 42.059 -0.040 0.000 0.901 401 L HN 0.384 nan 8.230 nan 0.000 0.433 402 C N -0.175 118.925 119.300 -0.334 0.000 2.425 402 C HA -0.142 4.327 4.460 0.015 0.000 0.277 402 C C 2.407 177.434 174.990 0.062 0.000 1.280 402 C CA 0.438 59.289 59.018 -0.279 0.000 1.744 402 C CB -0.785 26.684 27.740 -0.453 0.000 1.989 402 C HN 0.538 nan 8.230 nan 0.000 0.491 403 D N 0.372 120.828 120.400 0.094 0.000 2.144 403 D HA -0.091 4.557 4.640 0.015 0.000 0.199 403 D C 2.398 178.926 176.300 0.381 0.000 0.984 403 D CA 1.172 55.321 54.000 0.249 0.000 0.834 403 D CB -0.308 40.590 40.800 0.164 0.000 0.955 403 D HN 0.534 nan 8.370 nan 0.000 0.465 404 R N -1.078 119.534 120.500 0.186 0.000 2.090 404 R HA 0.040 4.389 4.340 0.015 0.000 0.219 404 R C 2.023 178.314 176.300 -0.015 0.000 1.100 404 R CA 0.468 56.613 56.100 0.075 0.000 0.991 404 R CB -0.125 30.149 30.300 -0.044 0.000 0.893 404 R HN 0.253 nan 8.270 nan 0.000 0.443 405 Y N 0.002 120.307 120.300 0.007 0.000 2.475 405 Y HA 0.172 4.731 4.550 0.014 0.000 0.289 405 Y C 0.927 176.743 175.900 -0.139 0.000 1.121 405 Y CA 0.742 58.816 58.100 -0.043 0.000 1.257 405 Y CB 0.725 39.136 38.460 -0.082 0.000 1.026 405 Y HN 0.233 nan 8.280 nan 0.000 0.555 406 G N 1.273 110.096 108.800 0.038 0.000 2.858 406 G HA2 -0.168 3.801 3.960 0.015 0.000 0.266 406 G HA3 -0.168 3.801 3.960 0.015 0.000 0.266 406 G C -1.153 173.580 174.900 -0.277 0.000 1.023 406 G CA -0.515 44.475 45.100 -0.183 0.000 1.172 406 G HN 0.176 nan 8.290 nan 0.000 0.523 407 L N 1.066 122.204 121.223 -0.141 0.000 2.455 407 L HA 0.492 4.841 4.340 0.015 0.000 0.264 407 L C 0.067 176.945 176.870 0.012 0.000 0.968 407 L CA -1.324 53.398 54.840 -0.197 0.000 0.827 407 L CB 1.971 43.940 42.059 -0.149 0.000 1.317 407 L HN 0.461 nan 8.230 nan 0.000 0.407 408 Y N 1.896 122.328 120.300 0.221 0.000 2.442 408 Y HA 0.331 4.891 4.550 0.018 0.000 0.330 408 Y C 0.218 176.253 175.900 0.225 0.000 1.129 408 Y CA -0.687 57.578 58.100 0.274 0.000 1.365 408 Y CB 1.080 39.677 38.460 0.229 0.000 1.233 408 Y HN 0.159 nan 8.280 nan 0.000 0.529 409 V N 4.546 124.658 119.914 0.331 0.000 2.555 409 V HA 0.309 4.437 4.120 0.015 0.000 0.302 409 V C -0.490 175.699 176.094 0.158 0.000 1.038 409 V CA -1.006 61.431 62.300 0.227 0.000 0.887 409 V CB 1.912 33.828 31.823 0.155 0.000 0.991 409 V HN 0.456 nan 8.190 nan 0.000 0.434 410 V N 3.330 123.309 119.914 0.107 0.000 2.333 410 V HA 0.332 4.461 4.120 0.015 0.000 0.274 410 V C -0.346 175.791 176.094 0.072 0.000 1.028 410 V CA -0.343 61.967 62.300 0.016 0.000 0.851 410 V CB 1.474 33.193 31.823 -0.175 0.000 1.000 410 V HN 0.888 nan 8.190 nan 0.000 0.456 411 D N 4.227 124.710 120.400 0.138 0.000 2.232 411 D HA 0.338 4.987 4.640 0.015 0.000 0.242 411 D C -0.283 176.209 176.300 0.320 0.000 1.093 411 D CA -0.134 54.042 54.000 0.293 0.000 0.845 411 D CB 1.389 42.401 40.800 0.354 0.000 1.124 411 D HN 0.680 nan 8.370 nan 0.000 0.467 412 E N 1.931 122.283 120.200 0.253 0.000 2.210 412 E HA 0.631 4.990 4.350 0.015 0.000 0.266 412 E C -1.038 175.697 176.600 0.226 0.000 0.883 412 E CA -1.055 55.478 56.400 0.221 0.000 0.761 412 E CB 1.381 31.161 29.700 0.134 0.000 1.156 412 E HN 0.457 nan 8.360 nan 0.000 0.412 413 A N 3.761 126.708 122.820 0.211 0.000 2.445 413 A HA 0.064 4.393 4.320 0.015 0.000 0.242 413 A C 0.343 178.051 177.584 0.206 0.000 1.075 413 A CA -0.212 51.930 52.037 0.175 0.000 0.777 413 A CB 0.133 19.200 19.000 0.112 0.000 1.013 413 A HN 0.709 nan 8.150 nan 0.000 0.493 414 N N 1.234 120.063 118.700 0.215 0.000 3.103 414 N HA 0.234 4.983 4.740 0.015 0.000 0.305 414 N C -1.031 174.607 175.510 0.213 0.000 1.232 414 N CA 0.217 53.428 53.050 0.268 0.000 1.190 414 N CB -0.865 37.785 38.487 0.272 0.000 1.461 414 N HN 0.480 nan 8.380 nan 0.000 0.538 415 I N 0.773 121.462 120.570 0.197 0.000 2.468 415 I HA 0.273 4.452 4.170 0.015 0.000 0.284 415 I C -0.530 175.686 176.117 0.164 0.000 1.038 415 I CA -0.611 60.787 61.300 0.163 0.000 1.083 415 I CB 1.634 39.705 38.000 0.119 0.000 1.223 415 I HN 0.221 nan 8.210 nan 0.000 0.443 416 E N 4.386 124.673 120.200 0.145 0.000 2.274 416 E HA 0.398 4.757 4.350 0.015 0.000 0.269 416 E C -0.607 176.032 176.600 0.065 0.000 0.891 416 E CA -0.521 55.931 56.400 0.087 0.000 0.784 416 E CB 1.610 31.334 29.700 0.039 0.000 1.225 416 E HN 0.572 nan 8.360 nan 0.000 0.412 417 T N 1.516 116.100 114.554 0.049 0.000 3.374 417 T HA 0.173 4.532 4.350 0.015 0.000 0.267 417 T C 0.741 175.428 174.700 -0.021 0.000 0.996 417 T CA -0.599 61.547 62.100 0.078 0.000 0.977 417 T CB -0.034 68.878 68.868 0.074 0.000 1.149 417 T HN 0.353 nan 8.240 nan 0.000 0.517 418 N N 2.397 121.001 118.700 -0.160 0.000 2.137 418 N HA -0.059 4.690 4.740 0.015 0.000 0.190 418 N C 2.003 177.383 175.510 -0.216 0.000 1.017 418 N CA 1.837 54.766 53.050 -0.203 0.000 0.859 418 N CB -0.653 37.672 38.487 -0.269 0.000 1.002 418 N HN 0.707 nan 8.380 nan 0.000 0.428 419 G N -0.191 108.393 108.800 -0.361 0.000 2.744 419 G HA2 -0.020 3.949 3.960 0.015 0.000 0.211 419 G HA3 -0.020 3.949 3.960 0.015 0.000 0.211 419 G C 0.756 175.752 174.900 0.159 0.000 1.143 419 G CA -0.108 44.868 45.100 -0.207 0.000 0.788 419 G HN 0.136 nan 8.290 nan 0.000 0.534 420 M N 0.433 120.158 119.600 0.208 0.000 2.226 420 M HA 0.306 4.795 4.480 0.015 0.000 0.324 420 M C -0.371 175.945 176.300 0.026 0.000 1.112 420 M CA -0.192 55.186 55.300 0.130 0.000 1.176 420 M CB 1.335 33.965 32.600 0.052 0.000 1.430 420 M HN -0.208 nan 8.290 nan 0.000 0.462 421 V N 3.595 123.510 119.914 0.003 0.000 2.482 421 V HA 0.367 4.496 4.120 0.015 0.000 0.295 421 V C -1.951 174.127 176.094 -0.027 0.000 1.026 421 V CA -1.318 60.969 62.300 -0.021 0.000 0.856 421 V CB 1.740 33.549 31.823 -0.024 0.000 1.001 421 V HN 0.731 nan 8.190 nan 0.000 0.424 422 P HA 0.235 nan 4.420 nan 0.000 0.277 422 P C 0.987 178.274 177.300 -0.022 0.000 1.276 422 P CA -0.489 62.595 63.100 -0.028 0.000 0.788 422 P CB 1.020 32.708 31.700 -0.021 0.000 1.114 423 M N 0.401 119.989 119.600 -0.020 0.000 2.279 423 M HA -0.154 4.335 4.480 0.015 0.000 0.264 423 M C 1.135 177.448 176.300 0.022 0.000 1.062 423 M CA 1.664 56.961 55.300 -0.006 0.000 1.099 423 M CB -0.479 32.111 32.600 -0.016 0.000 1.394 423 M HN 0.366 nan 8.290 nan 0.000 0.426 424 N N -0.123 118.594 118.700 0.028 0.000 2.313 424 N HA -0.065 4.684 4.740 0.015 0.000 0.207 424 N C 1.100 176.589 175.510 -0.034 0.000 1.141 424 N CA 0.097 53.169 53.050 0.036 0.000 0.830 424 N CB -0.708 37.823 38.487 0.072 0.000 1.008 424 N HN 0.357 nan 8.380 nan 0.000 0.481 425 R N 0.459 120.924 120.500 -0.060 0.000 2.103 425 R HA -0.021 4.328 4.340 0.015 0.000 0.242 425 R C 1.443 177.643 176.300 -0.166 0.000 1.142 425 R CA 1.344 57.386 56.100 -0.096 0.000 0.960 425 R CB -0.058 30.184 30.300 -0.097 0.000 0.858 425 R HN 0.282 nan 8.270 nan 0.000 0.439 426 L N -0.469 120.590 121.223 -0.273 0.000 2.127 426 L HA -0.031 4.318 4.340 0.015 0.000 0.203 426 L C 2.560 179.289 176.870 -0.235 0.000 1.080 426 L CA 1.429 55.985 54.840 -0.473 0.000 0.768 426 L CB -0.628 40.911 42.059 -0.867 0.000 0.924 426 L HN 0.391 nan 8.230 nan 0.000 0.444 427 T N -4.229 110.219 114.554 -0.177 0.000 3.007 427 T HA -0.177 4.182 4.350 0.015 0.000 0.270 427 T C 1.302 175.915 174.700 -0.145 0.000 1.107 427 T CA 1.250 63.235 62.100 -0.192 0.000 1.118 427 T CB -0.241 68.476 68.868 -0.253 0.000 0.889 427 T HN 0.105 nan 8.240 nan 0.000 0.506 428 D N 1.176 121.527 120.400 -0.082 0.000 2.339 428 D HA 0.099 4.748 4.640 0.015 0.000 0.217 428 D C -0.184 176.097 176.300 -0.032 0.000 1.050 428 D CA -0.143 53.820 54.000 -0.062 0.000 0.856 428 D CB -0.120 40.650 40.800 -0.049 0.000 0.922 428 D HN 0.349 nan 8.370 nan 0.000 0.518 429 D N -0.172 120.225 120.400 -0.004 0.000 2.274 429 D HA 0.116 4.765 4.640 0.015 0.000 0.239 429 D C -1.647 174.703 176.300 0.084 0.000 1.104 429 D CA -2.204 51.830 54.000 0.057 0.000 0.840 429 D CB 2.024 42.901 40.800 0.129 0.000 1.100 429 D HN -0.042 nan 8.370 nan 0.000 0.477 430 P HA -0.126 nan 4.420 nan 0.000 0.219 430 P C 1.001 178.303 177.300 0.004 0.000 1.146 430 P CA 0.795 63.903 63.100 0.014 0.000 0.808 430 P CB 0.298 31.994 31.700 -0.005 0.000 0.779 431 R N -1.820 118.689 120.500 0.014 0.000 2.237 431 R HA -0.080 4.269 4.340 0.015 0.000 0.219 431 R C 1.493 177.671 176.300 -0.203 0.000 1.080 431 R CA 1.090 57.133 56.100 -0.095 0.000 0.995 431 R CB -0.518 29.715 30.300 -0.112 0.000 0.875 431 R HN 0.335 nan 8.270 nan 0.000 0.462 432 W N -0.287 120.956 121.300 -0.095 0.000 3.220 432 W HA 0.139 4.807 4.660 0.014 0.000 0.328 432 W C 1.471 177.930 176.519 -0.101 0.000 1.205 432 W CA -0.530 56.758 57.345 -0.096 0.000 1.773 432 W CB 0.084 29.486 29.460 -0.098 0.000 1.086 432 W HN 0.002 nan 8.180 nan 0.000 0.622 433 L N 2.057 123.306 121.223 0.044 0.000 2.042 433 L HA -0.049 4.300 4.340 0.015 0.000 0.210 433 L C -0.695 176.140 176.870 -0.058 0.000 1.076 433 L CA 2.276 57.104 54.840 -0.019 0.000 0.749 433 L CB -1.607 40.431 42.059 -0.036 0.000 0.893 433 L HN -0.238 nan 8.230 nan 0.000 0.432 434 P HA -0.164 nan 4.420 nan 0.000 0.214 434 P C 1.599 178.844 177.300 -0.092 0.000 1.163 434 P CA 2.218 65.255 63.100 -0.105 0.000 0.883 434 P CB -0.206 31.421 31.700 -0.123 0.000 0.788 435 A N -1.254 121.524 122.820 -0.070 0.000 1.902 435 A HA -0.187 4.142 4.320 0.015 0.000 0.217 435 A C 2.222 179.819 177.584 0.022 0.000 1.181 435 A CA 1.806 53.835 52.037 -0.012 0.000 0.623 435 A CB -1.431 17.592 19.000 0.039 0.000 0.818 435 A HN 0.101 nan 8.150 nan 0.000 0.443 436 M N 0.347 119.971 119.600 0.040 0.000 2.132 436 M HA -0.160 4.329 4.480 0.015 0.000 0.263 436 M C 2.569 178.818 176.300 -0.086 0.000 1.065 436 M CA 1.767 57.067 55.300 0.000 0.000 1.122 436 M CB -0.441 32.142 32.600 -0.029 0.000 1.365 436 M HN 0.676 nan 8.290 nan 0.000 0.411 437 S N 0.473 116.091 115.700 -0.136 0.000 2.374 437 S HA -0.220 4.259 4.470 0.015 0.000 0.227 437 S C 1.580 176.004 174.600 -0.292 0.000 1.037 437 S CA 1.709 59.757 58.200 -0.253 0.000 1.024 437 S CB -0.737 62.291 63.200 -0.287 0.000 0.861 437 S HN 0.550 nan 8.310 nan 0.000 0.456 438 E N 0.951 121.030 120.200 -0.201 0.000 2.204 438 E HA -0.030 4.329 4.350 0.015 0.000 0.194 438 E C 2.392 178.901 176.600 -0.153 0.000 0.989 438 E CA 0.675 56.960 56.400 -0.190 0.000 0.824 438 E CB -0.121 29.506 29.700 -0.122 0.000 0.756 438 E HN 0.572 nan 8.360 nan 0.000 0.477 439 R N 0.090 120.531 120.500 -0.099 0.000 2.148 439 R HA -0.048 4.300 4.340 0.015 0.000 0.223 439 R C 2.172 178.426 176.300 -0.076 0.000 1.088 439 R CA 0.554 56.628 56.100 -0.044 0.000 0.985 439 R CB 0.112 30.427 30.300 0.025 0.000 0.880 439 R HN 0.014 nan 8.270 nan 0.000 0.451 440 V N 0.082 119.904 119.914 -0.153 0.000 2.374 440 V HA -0.167 3.962 4.120 0.015 0.000 0.241 440 V C 2.454 178.359 176.094 -0.314 0.000 1.034 440 V CA 2.093 64.282 62.300 -0.186 0.000 1.037 440 V CB -0.118 31.586 31.823 -0.198 0.000 0.682 440 V HN 0.501 nan 8.190 nan 0.000 0.463 441 T N -0.662 113.586 114.554 -0.510 0.000 2.746 441 T HA -0.243 4.116 4.350 0.015 0.000 0.267 441 T C 1.928 176.456 174.700 -0.286 0.000 1.039 441 T CA 1.433 63.143 62.100 -0.650 0.000 1.142 441 T CB -0.422 67.854 68.868 -0.986 0.000 0.866 441 T HN 0.405 nan 8.240 nan 0.000 0.444 442 R N 0.347 120.708 120.500 -0.233 0.000 2.148 442 R HA 0.186 4.535 4.340 0.015 0.000 0.227 442 R C 2.651 178.863 176.300 -0.146 0.000 1.103 442 R CA 1.372 57.373 56.100 -0.165 0.000 0.983 442 R CB -0.483 29.730 30.300 -0.144 0.000 0.874 442 R HN 0.497 nan 8.270 nan 0.000 0.451 443 M N 0.623 120.143 119.600 -0.133 0.000 2.099 443 M HA -0.133 4.356 4.480 0.015 0.000 0.262 443 M C 1.809 178.014 176.300 -0.159 0.000 1.067 443 M CA 1.662 56.911 55.300 -0.084 0.000 1.124 443 M CB 0.116 32.711 32.600 -0.009 0.000 1.353 443 M HN -0.023 nan 8.290 nan 0.000 0.410 444 V N 1.065 120.772 119.914 -0.345 0.000 2.358 444 V HA -0.268 3.861 4.120 0.015 0.000 0.246 444 V C 2.266 178.235 176.094 -0.209 0.000 1.047 444 V CA 1.932 63.901 62.300 -0.552 0.000 1.035 444 V CB -0.988 30.477 31.823 -0.597 0.000 0.658 444 V HN 0.586 nan 8.190 nan 0.000 0.452 445 Q N -0.473 119.241 119.800 -0.142 0.000 2.170 445 Q HA -0.229 4.120 4.340 0.015 0.000 0.203 445 Q C 2.458 178.363 176.000 -0.158 0.000 0.976 445 Q CA 1.606 57.334 55.803 -0.124 0.000 0.858 445 Q CB -0.191 28.497 28.738 -0.084 0.000 0.907 445 Q HN 0.544 nan 8.270 nan 0.000 0.433 446 R N 0.299 120.701 120.500 -0.163 0.000 2.080 446 R HA -0.086 4.263 4.340 0.015 0.000 0.222 446 R C 0.645 176.870 176.300 -0.125 0.000 1.107 446 R CA 1.263 57.245 56.100 -0.196 0.000 0.980 446 R CB 0.403 30.589 30.300 -0.191 0.000 0.879 446 R HN 0.154 nan 8.270 nan 0.000 0.439 447 D N -0.000 120.389 120.400 -0.018 0.000 2.360 447 D HA -0.026 4.623 4.640 0.015 0.000 0.210 447 D C 1.484 177.906 176.300 0.204 0.000 1.047 447 D CA 0.197 54.248 54.000 0.084 0.000 0.854 447 D CB 0.130 40.933 40.800 0.004 0.000 0.936 447 D HN 0.361 nan 8.370 nan 0.000 0.514 448 R N 0.852 121.489 120.500 0.228 0.000 2.211 448 R HA -0.055 4.294 4.340 0.015 0.000 0.240 448 R C 0.778 177.084 176.300 0.011 0.000 1.144 448 R CA 1.020 57.255 56.100 0.225 0.000 0.992 448 R CB -0.349 30.012 30.300 0.103 0.000 0.869 448 R HN -0.030 nan 8.270 nan 0.000 0.462 449 N N 0.143 118.778 118.700 -0.109 0.000 2.336 449 N HA 0.004 4.753 4.740 0.015 0.000 0.189 449 N C -0.468 174.908 175.510 -0.224 0.000 1.113 449 N CA 0.223 53.175 53.050 -0.164 0.000 0.858 449 N CB 0.097 38.470 38.487 -0.189 0.000 0.970 449 N HN 0.289 nan 8.380 nan 0.000 0.471 450 H N 1.472 120.478 119.070 -0.106 0.000 2.742 450 H HA 0.097 4.662 4.556 0.014 0.000 0.302 450 H C -1.187 173.985 175.328 -0.260 0.000 1.069 450 H CA -1.141 54.825 56.048 -0.136 0.000 1.446 450 H CB 1.515 31.228 29.762 -0.082 0.000 1.462 450 H HN 0.053 nan 8.280 nan 0.000 0.499 451 P HA -0.138 nan 4.420 nan 0.000 0.221 451 P C 1.419 178.221 177.300 -0.829 0.000 1.150 451 P CA 1.024 63.755 63.100 -0.616 0.000 0.800 451 P CB 0.283 31.377 31.700 -1.010 0.000 0.787 452 S N -0.664 114.665 115.700 -0.618 0.000 2.419 452 S HA -0.049 4.430 4.470 0.015 0.000 0.233 452 S C 1.132 175.683 174.600 -0.082 0.000 1.016 452 S CA 0.394 58.390 58.200 -0.340 0.000 0.974 452 S CB -1.568 61.621 63.200 -0.018 0.000 0.786 452 S HN -0.065 nan 8.310 nan 0.000 0.492 453 V N 3.711 123.554 119.914 -0.118 0.000 2.446 453 V HA 0.191 4.320 4.120 0.015 0.000 0.276 453 V C 1.116 177.064 176.094 -0.243 0.000 1.030 453 V CA 0.149 62.347 62.300 -0.170 0.000 1.033 453 V CB 0.229 31.843 31.823 -0.349 0.000 0.993 453 V HN 0.638 nan 8.190 nan 0.000 0.477 454 I N 2.550 123.035 120.570 -0.141 0.000 4.181 454 I HA 0.517 4.696 4.170 0.015 0.000 0.331 454 I C 0.349 176.355 176.117 -0.184 0.000 1.312 454 I CA 0.451 61.676 61.300 -0.125 0.000 1.146 454 I CB 0.484 38.489 38.000 0.009 0.000 1.074 454 I HN 0.324 nan 8.210 nan 0.000 0.402 455 I N 0.264 120.701 120.570 -0.221 0.000 2.656 455 I HA 0.357 4.536 4.170 0.015 0.000 0.292 455 I C -1.554 174.471 176.117 -0.154 0.000 1.144 455 I CA -0.357 60.858 61.300 -0.142 0.000 1.038 455 I CB 2.107 40.117 38.000 0.016 0.000 1.244 455 I HN 0.027 nan 8.210 nan 0.000 0.420 456 W N 3.983 125.332 121.300 0.081 0.000 2.449 456 W HA 0.630 5.298 4.660 0.013 0.000 0.331 456 W C 0.402 176.985 176.519 0.107 0.000 1.119 456 W CA -0.607 56.791 57.345 0.089 0.000 1.240 456 W CB 1.716 31.223 29.460 0.080 0.000 1.251 456 W HN 0.312 nan 8.180 nan 0.000 0.576 457 S N 2.542 118.470 115.700 0.380 0.000 2.500 457 S HA 0.394 4.873 4.470 0.015 0.000 0.301 457 S C 0.224 174.990 174.600 0.277 0.000 1.092 457 S CA -0.719 57.656 58.200 0.291 0.000 1.030 457 S CB 0.832 64.159 63.200 0.212 0.000 1.031 457 S HN 0.573 nan 8.310 nan 0.000 0.483 458 L N 4.036 125.415 121.223 0.260 0.000 2.610 458 L HA 0.337 4.686 4.340 0.015 0.000 0.232 458 L C 1.382 178.320 176.870 0.112 0.000 1.149 458 L CA 0.508 55.424 54.840 0.126 0.000 0.872 458 L CB -1.198 40.835 42.059 -0.044 0.000 0.992 458 L HN 0.989 nan 8.230 nan 0.000 0.447 459 G N -0.002 108.950 108.800 0.254 0.000 2.280 459 G HA2 -0.111 3.858 3.960 0.015 0.000 0.277 459 G HA3 -0.111 3.858 3.960 0.015 0.000 0.277 459 G C -1.701 173.408 174.900 0.347 0.000 1.288 459 G CA -0.541 44.715 45.100 0.260 0.000 1.075 459 G HN 0.183 nan 8.290 nan 0.000 0.480 460 N N -0.074 118.771 118.700 0.242 0.000 2.331 460 N HA 0.478 5.227 4.740 0.015 0.000 0.280 460 N C -0.378 175.134 175.510 0.004 0.000 1.155 460 N CA 0.085 53.153 53.050 0.030 0.000 0.822 460 N CB 1.608 39.838 38.487 -0.429 0.000 1.619 460 N HN 0.895 nan 8.380 nan 0.000 0.476 461 E N 0.611 120.754 120.200 -0.095 0.000 2.160 461 E HA -0.180 4.179 4.350 0.015 0.000 0.180 461 E C -0.783 175.832 176.600 0.025 0.000 1.452 461 E CA 0.764 57.108 56.400 -0.093 0.000 0.683 461 E CB -1.309 28.274 29.700 -0.194 0.000 1.072 461 E HN 0.446 nan 8.360 nan 0.000 0.332 462 S N 0.006 115.826 115.700 0.199 0.000 2.855 462 S HA 0.396 4.875 4.470 0.015 0.000 0.249 462 S C 0.643 175.435 174.600 0.321 0.000 1.033 462 S CA -0.126 58.230 58.200 0.259 0.000 1.038 462 S CB 1.417 64.812 63.200 0.324 0.000 0.960 462 S HN 0.852 nan 8.310 nan 0.000 0.548 463 G N 1.943 110.868 108.800 0.208 0.000 2.645 463 G HA2 -0.261 3.708 3.960 0.015 0.000 0.246 463 G HA3 -0.261 3.708 3.960 0.015 0.000 0.246 463 G C -0.552 174.566 174.900 0.363 0.000 1.322 463 G CA -0.254 44.962 45.100 0.193 0.000 0.898 463 G HN 0.629 nan 8.290 nan 0.000 0.573 464 H N 0.392 119.589 119.070 0.211 0.000 2.800 464 H HA 0.572 5.137 4.556 0.015 0.000 0.322 464 H C 0.375 175.881 175.328 0.295 0.000 0.979 464 H CA -0.157 56.059 56.048 0.281 0.000 1.277 464 H CB 0.587 30.441 29.762 0.154 0.000 1.484 464 H HN 1.011 nan 8.280 nan 0.000 0.512 465 G N 1.630 110.588 108.800 0.263 0.000 2.511 465 G HA2 0.441 4.410 3.960 0.015 0.000 0.318 465 G HA3 0.441 4.410 3.960 0.015 0.000 0.318 465 G C 0.615 175.432 174.900 -0.137 0.000 1.210 465 G CA -0.155 44.910 45.100 -0.058 0.000 0.969 465 G HN 0.694 nan 8.290 nan 0.000 0.484 466 A N 0.668 123.409 122.820 -0.133 0.000 2.024 466 A HA -0.097 4.232 4.320 0.015 0.000 0.220 466 A C 2.121 179.687 177.584 -0.029 0.000 1.164 466 A CA 1.773 53.767 52.037 -0.071 0.000 0.643 466 A CB -0.383 18.590 19.000 -0.045 0.000 0.806 466 A HN 0.539 nan 8.150 nan 0.000 0.451 467 N N -0.271 118.373 118.700 -0.093 0.000 2.223 467 N HA -0.138 4.611 4.740 0.015 0.000 0.185 467 N C 1.353 176.804 175.510 -0.099 0.000 1.016 467 N CA 1.638 54.618 53.050 -0.117 0.000 0.863 467 N CB -0.628 37.743 38.487 -0.194 0.000 0.983 467 N HN 0.789 nan 8.380 nan 0.000 0.429 468 H N 0.115 119.186 119.070 0.002 0.000 2.389 468 H HA -0.005 4.560 4.556 0.015 0.000 0.299 468 H C 1.205 176.611 175.328 0.130 0.000 1.081 468 H CA 1.150 57.209 56.048 0.018 0.000 1.345 468 H CB 0.207 30.013 29.762 0.073 0.000 1.393 468 H HN 0.191 nan 8.280 nan 0.000 0.520 469 D N 0.334 120.901 120.400 0.278 0.000 2.144 469 D HA -0.099 4.549 4.640 0.015 0.000 0.200 469 D C 2.289 178.745 176.300 0.259 0.000 0.978 469 D CA 1.091 55.250 54.000 0.264 0.000 0.833 469 D CB -0.288 40.630 40.800 0.196 0.000 0.961 469 D HN 0.416 nan 8.370 nan 0.000 0.470 470 A N 0.881 123.802 122.820 0.167 0.000 1.902 470 A HA -0.113 4.216 4.320 0.015 0.000 0.217 470 A C 2.405 180.098 177.584 0.183 0.000 1.181 470 A CA 0.895 53.020 52.037 0.147 0.000 0.623 470 A CB -0.711 18.333 19.000 0.073 0.000 0.818 470 A HN 0.187 nan 8.150 nan 0.000 0.443 471 L N -2.210 119.105 121.223 0.153 0.000 2.109 471 L HA -0.142 4.207 4.340 0.015 0.000 0.207 471 L C 2.562 179.573 176.870 0.235 0.000 1.086 471 L CA 1.510 56.438 54.840 0.147 0.000 0.760 471 L CB -0.752 41.326 42.059 0.031 0.000 0.910 471 L HN 0.569 nan 8.230 nan 0.000 0.437 472 Y N 1.404 121.790 120.300 0.142 0.000 2.081 472 Y HA -0.359 4.198 4.550 0.012 0.000 0.280 472 Y C 2.856 178.842 175.900 0.143 0.000 1.163 472 Y CA 1.915 60.102 58.100 0.145 0.000 1.135 472 Y CB -0.231 38.315 38.460 0.144 0.000 0.970 472 Y HN -0.036 nan 8.280 nan 0.000 0.498 473 R N -0.155 120.468 120.500 0.205 0.000 2.091 473 R HA -0.226 4.123 4.340 0.015 0.000 0.238 473 R C 2.090 178.404 176.300 0.024 0.000 1.136 473 R CA 2.047 58.198 56.100 0.084 0.000 0.959 473 R CB -1.558 28.859 30.300 0.196 0.000 0.856 473 R HN 0.665 nan 8.270 nan 0.000 0.437 474 W N 0.436 121.699 121.300 -0.063 0.000 2.333 474 W HA -0.165 4.504 4.660 0.015 0.000 0.316 474 W C 1.737 178.168 176.519 -0.147 0.000 1.215 474 W CA 2.065 59.357 57.345 -0.088 0.000 1.278 474 W CB -0.288 29.125 29.460 -0.079 0.000 1.154 474 W HN 0.083 nan 8.180 nan 0.000 0.486 475 I N 0.775 121.393 120.570 0.080 0.000 2.179 475 I HA -0.341 3.838 4.170 0.015 0.000 0.242 475 I C 2.413 178.345 176.117 -0.309 0.000 1.088 475 I CA 1.340 62.519 61.300 -0.201 0.000 1.357 475 I CB -0.726 37.216 38.000 -0.097 0.000 1.051 475 I HN -0.091 nan 8.210 nan 0.000 0.409 476 K N 0.560 120.781 120.400 -0.298 0.000 2.152 476 K HA -0.102 4.227 4.320 0.015 0.000 0.206 476 K C 2.239 178.702 176.600 -0.229 0.000 1.048 476 K CA 1.236 57.362 56.287 -0.268 0.000 0.933 476 K CB -0.419 31.880 32.500 -0.336 0.000 0.721 476 K HN 0.241 nan 8.250 nan 0.000 0.447 477 S N 0.672 116.204 115.700 -0.280 0.000 2.377 477 S HA -0.045 4.434 4.470 0.015 0.000 0.223 477 S C 2.149 176.537 174.600 -0.353 0.000 1.030 477 S CA 0.696 58.734 58.200 -0.271 0.000 0.970 477 S CB -0.001 63.032 63.200 -0.278 0.000 0.830 477 S HN 0.004 nan 8.310 nan 0.000 0.473 478 V N 1.135 120.696 119.914 -0.589 0.000 2.591 478 V HA 0.008 4.137 4.120 0.015 0.000 0.249 478 V C 0.458 176.314 176.094 -0.397 0.000 1.053 478 V CA 1.220 63.136 62.300 -0.640 0.000 1.068 478 V CB -0.179 30.900 31.823 -1.240 0.000 0.689 478 V HN 0.377 nan 8.190 nan 0.000 0.462 479 D N -1.059 119.165 120.400 -0.294 0.000 2.364 479 D HA 0.242 4.891 4.640 0.015 0.000 0.251 479 D C -2.260 174.027 176.300 -0.022 0.000 1.282 479 D CA -1.604 52.332 54.000 -0.106 0.000 0.927 479 D CB 1.650 42.462 40.800 0.020 0.000 1.267 479 D HN 0.090 nan 8.370 nan 0.000 0.531 480 P HA -0.011 nan 4.420 nan 0.000 0.245 480 P C 1.133 178.450 177.300 0.029 0.000 1.212 480 P CA 0.384 63.476 63.100 -0.013 0.000 0.774 480 P CB 0.130 31.817 31.700 -0.023 0.000 0.999 481 S N -1.159 114.567 115.700 0.044 0.000 2.522 481 S HA 0.042 4.521 4.470 0.015 0.000 0.227 481 S C 0.891 175.516 174.600 0.042 0.000 0.986 481 S CA -0.008 58.222 58.200 0.050 0.000 0.929 481 S CB -0.388 62.836 63.200 0.041 0.000 0.769 481 S HN 0.078 nan 8.310 nan 0.000 0.529 482 R N 1.037 121.572 120.500 0.059 0.000 2.628 482 R HA 0.547 4.896 4.340 0.015 0.000 0.288 482 R C -3.202 173.143 176.300 0.075 0.000 0.980 482 R CA -2.229 53.873 56.100 0.002 0.000 0.891 482 R CB 1.512 31.699 30.300 -0.187 0.000 1.188 482 R HN 0.136 nan 8.270 nan 0.000 0.450 483 P HA 0.077 nan 4.420 nan 0.000 0.271 483 P C -0.860 176.540 177.300 0.167 0.000 1.233 483 P CA -0.350 62.810 63.100 0.100 0.000 0.789 483 P CB 0.670 32.416 31.700 0.077 0.000 0.951 484 V N 2.020 122.062 119.914 0.214 0.000 2.495 484 V HA 0.408 4.537 4.120 0.015 0.000 0.298 484 V C 0.136 176.415 176.094 0.307 0.000 1.031 484 V CA -0.330 62.145 62.300 0.292 0.000 0.871 484 V CB 1.233 33.209 31.823 0.255 0.000 0.988 484 V HN 0.597 nan 8.190 nan 0.000 0.432 485 Q N 3.738 123.696 119.800 0.264 0.000 2.458 485 Q HA 0.827 5.176 4.340 0.015 0.000 0.282 485 Q C -1.823 174.332 176.000 0.258 0.000 1.106 485 Q CA -0.937 54.986 55.803 0.200 0.000 0.814 485 Q CB 3.026 31.831 28.738 0.111 0.000 1.425 485 Q HN 0.642 nan 8.270 nan 0.000 0.437 486 Y N -0.056 120.246 120.300 0.004 0.000 2.393 486 Y HA 0.132 4.690 4.550 0.013 0.000 0.320 486 Y C -0.684 175.151 175.900 -0.108 0.000 1.241 486 Y CA -0.716 57.355 58.100 -0.049 0.000 1.122 486 Y CB 1.944 40.357 38.460 -0.079 0.000 1.322 486 Y HN 0.949 nan 8.280 nan 0.000 0.441 487 E N 3.361 123.081 120.200 -0.799 0.000 2.340 487 E HA 0.149 4.508 4.350 0.015 0.000 0.194 487 E C 0.657 176.825 176.600 -0.720 0.000 0.996 487 E CA 0.705 56.742 56.400 -0.605 0.000 0.869 487 E CB 0.287 29.759 29.700 -0.380 0.000 0.835 487 E HN 0.889 nan 8.360 nan 0.000 0.493 488 G N -0.008 107.955 108.800 -1.394 0.000 2.474 488 G HA2 0.219 4.188 3.960 0.015 0.000 0.233 488 G HA3 0.219 4.188 3.960 0.015 0.000 0.233 488 G C 0.805 175.552 174.900 -0.255 0.000 1.278 488 G CA 0.293 44.985 45.100 -0.680 0.000 0.861 488 G HN 0.338 nan 8.290 nan 0.000 0.567 489 G N -0.428 108.338 108.800 -0.056 0.000 2.176 489 G HA2 0.226 4.195 3.960 0.015 0.000 0.252 489 G HA3 0.226 4.195 3.960 0.015 0.000 0.252 489 G C 1.263 176.177 174.900 0.023 0.000 1.024 489 G CA 1.019 46.149 45.100 0.051 0.000 0.755 489 G HN 2.608 nan 8.290 nan 0.000 0.507 490 G N -1.679 107.125 108.800 0.007 0.000 2.229 490 G HA2 0.423 4.392 3.960 0.015 0.000 0.189 490 G HA3 0.423 4.392 3.960 0.015 0.000 0.189 490 G C 1.075 176.092 174.900 0.194 0.000 1.000 490 G CA 1.319 46.486 45.100 0.112 0.000 0.663 490 G HN 2.337 nan 8.290 nan 0.000 0.493 491 A N -0.220 122.597 122.820 -0.006 0.000 3.413 491 A HA -0.105 4.224 4.320 0.015 0.000 0.268 491 A C 1.011 178.529 177.584 -0.109 0.000 1.128 491 A CA 2.639 54.614 52.037 -0.104 0.000 1.062 491 A CB -1.799 17.113 19.000 -0.146 0.000 1.121 491 A HN 2.115 nan 8.150 nan 0.000 0.895 492 D N -1.065 119.354 120.400 0.033 0.000 2.785 492 D HA 0.329 4.978 4.640 0.015 0.000 0.324 492 D C 0.344 176.648 176.300 0.007 0.000 1.523 492 D CA 0.739 54.762 54.000 0.039 0.000 0.789 492 D CB -1.134 39.832 40.800 0.277 0.000 1.171 492 D HN 0.812 nan 8.370 nan 0.000 0.447 493 T N -2.540 111.947 114.554 -0.112 0.000 2.698 493 T HA 0.217 4.576 4.350 0.015 0.000 0.295 493 T C 1.625 176.200 174.700 -0.208 0.000 1.007 493 T CA 0.397 62.370 62.100 -0.212 0.000 0.980 493 T CB 0.869 69.353 68.868 -0.640 0.000 1.036 493 T HN 0.086 nan 8.240 nan 0.000 0.526 494 T N -2.301 112.146 114.554 -0.178 0.000 3.098 494 T HA 0.168 4.527 4.350 0.015 0.000 0.266 494 T C 1.554 176.006 174.700 -0.412 0.000 1.145 494 T CA 0.354 62.347 62.100 -0.178 0.000 1.092 494 T CB -0.509 68.341 68.868 -0.030 0.000 0.908 494 T HN 0.837 nan 8.240 nan 0.000 0.526 495 A N 0.503 123.084 122.820 -0.399 0.000 2.415 495 A HA 0.508 4.837 4.320 0.015 0.000 0.248 495 A C 0.817 178.226 177.584 -0.292 0.000 1.299 495 A CA -0.282 51.489 52.037 -0.443 0.000 0.899 495 A CB -0.008 18.974 19.000 -0.030 0.000 0.997 495 A HN 0.423 nan 8.150 nan 0.000 0.506 496 T N -1.559 112.835 114.554 -0.267 0.000 2.952 496 T HA 0.370 4.729 4.350 0.015 0.000 0.305 496 T C -0.671 174.052 174.700 0.037 0.000 1.064 496 T CA -0.434 61.666 62.100 0.001 0.000 1.008 496 T CB 1.292 70.150 68.868 -0.016 0.000 1.078 496 T HN 0.066 nan 8.240 nan 0.000 0.459 497 D N 2.793 123.298 120.400 0.175 0.000 2.349 497 D HA 0.283 4.932 4.640 0.015 0.000 0.215 497 D C 0.310 176.644 176.300 0.057 0.000 1.016 497 D CA 0.680 54.767 54.000 0.144 0.000 0.870 497 D CB 0.351 41.265 40.800 0.191 0.000 0.917 497 D HN 0.542 nan 8.370 nan 0.000 0.524 498 I N 0.952 121.536 120.570 0.024 0.000 2.498 498 I HA 0.256 4.435 4.170 0.015 0.000 0.290 498 I C -0.221 175.831 176.117 -0.107 0.000 1.032 498 I CA -0.901 60.379 61.300 -0.034 0.000 1.073 498 I CB 2.764 40.757 38.000 -0.011 0.000 1.251 498 I HN -0.351 nan 8.210 nan 0.000 0.426 499 I N 5.802 126.261 120.570 -0.185 0.000 2.505 499 I HA 0.044 4.223 4.170 0.015 0.000 0.287 499 I C 0.224 176.129 176.117 -0.353 0.000 1.104 499 I CA 0.043 61.131 61.300 -0.353 0.000 1.387 499 I CB 0.184 37.856 38.000 -0.547 0.000 1.404 499 I HN 0.678 nan 8.210 nan 0.000 0.528 500 C N 5.690 124.796 119.300 -0.324 0.000 3.401 500 C HA 0.472 4.941 4.460 0.015 0.000 0.204 500 C C -2.164 172.690 174.990 -0.227 0.000 1.522 500 C CA -2.289 56.591 59.018 -0.230 0.000 1.409 500 C CB -0.890 26.776 27.740 -0.124 0.000 1.967 500 C HN 0.422 nan 8.230 nan 0.000 0.496 501 P HA 0.281 nan 4.420 nan 0.000 0.272 501 P C -0.398 176.846 177.300 -0.094 0.000 1.240 501 P CA 0.347 63.347 63.100 -0.167 0.000 0.791 501 P CB 0.750 32.383 31.700 -0.112 0.000 0.978 502 M N 0.478 120.043 119.600 -0.059 0.000 2.114 502 M HA 0.433 4.922 4.480 0.015 0.000 0.332 502 M C -0.862 175.392 176.300 -0.077 0.000 1.014 502 M CA -0.638 54.514 55.300 -0.247 0.000 0.956 502 M CB 0.958 33.385 32.600 -0.288 0.000 1.551 502 M HN 0.353 nan 8.290 nan 0.000 0.427 503 Y N -0.147 120.323 120.300 0.284 0.000 4.569 503 Y HA -0.207 4.353 4.550 0.016 0.000 0.237 503 Y C 0.488 176.568 175.900 0.301 0.000 1.090 503 Y CA 0.374 58.649 58.100 0.290 0.000 2.052 503 Y CB -2.213 36.396 38.460 0.249 0.000 1.621 503 Y HN 0.977 nan 8.280 nan 0.000 0.682 504 A N 1.159 124.198 122.820 0.366 0.000 2.425 504 A HA 0.614 4.943 4.320 0.015 0.000 0.249 504 A C 0.700 178.512 177.584 0.380 0.000 1.084 504 A CA -0.443 51.817 52.037 0.372 0.000 0.781 504 A CB 0.430 19.694 19.000 0.440 0.000 1.019 504 A HN 0.410 nan 8.150 nan 0.000 0.490 505 R N 1.279 121.930 120.500 0.251 0.000 2.546 505 R HA 0.355 4.704 4.340 0.015 0.000 0.266 505 R C 0.944 177.215 176.300 -0.047 0.000 1.086 505 R CA -0.755 55.416 56.100 0.118 0.000 1.160 505 R CB 0.649 30.986 30.300 0.062 0.000 1.138 505 R HN 0.475 nan 8.270 nan 0.000 0.567 506 V N 0.636 120.360 119.914 -0.316 0.000 2.283 506 V HA -0.190 3.939 4.120 0.015 0.000 0.243 506 V C 1.015 176.989 176.094 -0.200 0.000 1.039 506 V CA 1.838 63.909 62.300 -0.381 0.000 1.016 506 V CB -0.240 31.213 31.823 -0.617 0.000 0.650 506 V HN 0.734 nan 8.190 nan 0.000 0.449 507 D N -1.270 119.044 120.400 -0.143 0.000 2.423 507 D HA 0.086 4.735 4.640 0.015 0.000 0.212 507 D C 0.965 177.248 176.300 -0.029 0.000 1.060 507 D CA 0.111 54.064 54.000 -0.078 0.000 0.872 507 D CB 0.559 41.319 40.800 -0.067 0.000 1.012 507 D HN 0.471 nan 8.370 nan 0.000 0.503 508 E N 1.841 122.029 120.200 -0.021 0.000 2.200 508 E HA 0.091 4.450 4.350 0.015 0.000 0.283 508 E C -0.825 175.778 176.600 0.006 0.000 1.015 508 E CA -0.575 55.823 56.400 -0.003 0.000 0.819 508 E CB 0.863 30.562 29.700 -0.001 0.000 1.081 508 E HN -0.165 nan 8.360 nan 0.000 0.397 509 D N 3.660 124.066 120.400 0.010 0.000 2.304 509 D HA 0.133 4.782 4.640 0.015 0.000 0.247 509 D C -0.596 175.604 176.300 -0.166 0.000 1.089 509 D CA 0.212 54.218 54.000 0.009 0.000 0.910 509 D CB 1.151 42.036 40.800 0.143 0.000 1.199 509 D HN 0.401 nan 8.370 nan 0.000 0.426 510 Q N 1.626 121.193 119.800 -0.387 0.000 2.771 510 Q HA 0.250 4.599 4.340 0.015 0.000 0.247 510 Q C -2.282 173.063 176.000 -1.091 0.000 0.986 510 Q CA -1.502 53.856 55.803 -0.740 0.000 0.713 510 Q CB 2.529 30.815 28.738 -0.754 0.000 1.241 510 Q HN 0.170 nan 8.270 nan 0.000 0.488 511 P HA 0.058 nan 4.420 nan 0.000 0.212 511 P C -0.651 176.342 177.300 -0.511 0.000 1.816 511 P CA -0.194 62.478 63.100 -0.714 0.000 0.944 511 P CB -0.541 30.969 31.700 -0.317 0.000 1.896 512 F N 2.512 122.290 119.950 -0.286 0.000 2.602 512 F HA 0.113 4.648 4.527 0.014 0.000 0.367 512 F C -1.033 174.661 175.800 -0.177 0.000 1.126 512 F CA -2.151 55.738 58.000 -0.186 0.000 1.321 512 F CB -0.521 38.382 39.000 -0.162 0.000 1.094 512 F HN 0.093 nan 8.300 nan 0.000 0.594 513 P HA 0.076 nan 4.420 nan 0.000 0.268 513 P C 0.332 177.648 177.300 0.027 0.000 1.205 513 P CA 0.900 64.018 63.100 0.031 0.000 0.771 513 P CB 1.199 32.915 31.700 0.027 0.000 0.858 514 A N 2.856 125.685 122.820 0.014 0.000 2.617 514 A HA -0.255 4.074 4.320 0.015 0.000 0.236 514 A C 0.770 178.363 177.584 0.014 0.000 0.551 514 A CA 2.047 54.097 52.037 0.021 0.000 1.144 514 A CB -2.732 16.279 19.000 0.019 0.000 1.384 514 A HN 0.723 nan 8.150 nan 0.000 0.694 515 V N -3.016 116.901 119.914 0.005 0.000 2.562 515 V HA 0.551 4.680 4.120 0.015 0.000 0.274 515 V C -2.375 173.708 176.094 -0.018 0.000 1.075 515 V CA -1.279 61.024 62.300 0.004 0.000 1.204 515 V CB 0.540 32.369 31.823 0.011 0.000 1.478 515 V HN 0.494 nan 8.190 nan 0.000 0.622 516 P HA 0.229 nan 4.420 nan 0.000 0.269 516 P C -0.586 176.279 177.300 -0.725 0.000 1.215 516 P CA 0.234 62.944 63.100 -0.650 0.000 0.780 516 P CB 0.907 31.720 31.700 -1.479 0.000 0.898 517 K N 2.460 122.500 120.400 -0.600 0.000 2.419 517 K HA 0.207 4.536 4.320 0.015 0.000 0.244 517 K C -0.384 175.928 176.600 -0.481 0.000 1.045 517 K CA -0.268 55.853 56.287 -0.277 0.000 1.004 517 K CB 0.393 32.995 32.500 0.171 0.000 1.376 517 K HN 0.472 nan 8.250 nan 0.000 0.460 518 W N 1.430 122.414 121.300 -0.527 0.000 2.126 518 W HA 0.034 4.704 4.660 0.017 0.000 0.346 518 W C 1.344 177.858 176.519 -0.007 0.000 1.279 518 W CA -0.491 56.636 57.345 -0.362 0.000 1.259 518 W CB 0.488 29.570 29.460 -0.630 0.000 1.133 518 W HN 0.389 nan 8.180 nan 0.000 0.592 519 S N 3.171 119.025 115.700 0.258 0.000 2.558 519 S HA -0.085 4.394 4.470 0.015 0.000 0.293 519 S C 1.147 175.891 174.600 0.240 0.000 1.292 519 S CA -0.141 58.155 58.200 0.160 0.000 1.063 519 S CB 0.187 63.429 63.200 0.070 0.000 0.831 519 S HN 0.510 nan 8.310 nan 0.000 0.499 520 I N 1.924 122.600 120.570 0.178 0.000 2.361 520 I HA -0.119 4.060 4.170 0.015 0.000 0.251 520 I C 2.037 178.178 176.117 0.040 0.000 1.133 520 I CA 1.198 62.608 61.300 0.184 0.000 1.413 520 I CB -0.395 37.662 38.000 0.095 0.000 1.073 520 I HN 0.587 nan 8.210 nan 0.000 0.424 521 K N 1.575 121.892 120.400 -0.138 0.000 2.097 521 K HA -0.141 4.188 4.320 0.015 0.000 0.205 521 K C 2.295 178.875 176.600 -0.033 0.000 1.050 521 K CA 1.538 57.645 56.287 -0.301 0.000 0.938 521 K CB -0.176 32.062 32.500 -0.436 0.000 0.718 521 K HN 0.369 nan 8.250 nan 0.000 0.442 522 K N 0.147 120.558 120.400 0.019 0.000 2.103 522 K HA -0.168 4.161 4.320 0.015 0.000 0.204 522 K C 1.852 178.475 176.600 0.039 0.000 1.052 522 K CA 0.814 57.103 56.287 0.002 0.000 0.945 522 K CB -0.066 32.400 32.500 -0.056 0.000 0.722 522 K HN 0.217 nan 8.250 nan 0.000 0.443 523 W N 2.196 123.485 121.300 -0.018 0.000 2.335 523 W HA -0.206 4.460 4.660 0.010 0.000 0.311 523 W C 1.670 178.182 176.519 -0.011 0.000 1.213 523 W CA 1.185 58.542 57.345 0.020 0.000 1.274 523 W CB -0.684 28.861 29.460 0.141 0.000 1.148 523 W HN 0.087 nan 8.180 nan 0.000 0.498 524 L N 0.801 122.194 121.223 0.283 0.000 2.043 524 L HA -0.263 4.086 4.340 0.015 0.000 0.212 524 L C 2.273 179.219 176.870 0.126 0.000 1.075 524 L CA 2.096 57.035 54.840 0.166 0.000 0.752 524 L CB -1.049 41.092 42.059 0.137 0.000 0.891 524 L HN -0.014 nan 8.230 nan 0.000 0.432 525 S N -1.274 114.483 115.700 0.095 0.000 2.614 525 S HA 0.248 4.726 4.470 0.015 0.000 0.230 525 S C 0.574 175.170 174.600 -0.007 0.000 0.952 525 S CA -0.523 57.703 58.200 0.044 0.000 0.949 525 S CB -0.530 62.694 63.200 0.040 0.000 0.786 525 S HN 0.155 nan 8.310 nan 0.000 0.478 526 L N 1.900 123.114 121.223 -0.015 0.000 2.529 526 L HA 0.187 4.536 4.340 0.015 0.000 0.287 526 L C -2.164 174.682 176.870 -0.040 0.000 1.241 526 L CA -1.567 53.217 54.840 -0.094 0.000 0.857 526 L CB -0.329 41.660 42.059 -0.118 0.000 1.113 526 L HN 0.031 nan 8.230 nan 0.000 0.504 527 P HA -0.045 nan 4.420 nan 0.000 0.261 527 P C 0.749 178.047 177.300 -0.002 0.000 1.173 527 P CA 1.180 64.262 63.100 -0.030 0.000 0.760 527 P CB 0.544 32.220 31.700 -0.039 0.000 0.783 528 G N 1.765 110.570 108.800 0.008 0.000 2.245 528 G HA2 -0.294 3.675 3.960 0.015 0.000 0.264 528 G HA3 -0.294 3.675 3.960 0.015 0.000 0.264 528 G C 0.330 175.251 174.900 0.035 0.000 0.985 528 G CA 0.318 45.431 45.100 0.021 0.000 0.625 528 G HN 0.620 nan 8.290 nan 0.000 0.536 529 E N 0.935 121.163 120.200 0.046 0.000 2.354 529 E HA 0.598 4.957 4.350 0.015 0.000 0.269 529 E C 1.361 177.992 176.600 0.052 0.000 1.036 529 E CA 0.716 57.157 56.400 0.067 0.000 0.876 529 E CB 0.782 30.550 29.700 0.114 0.000 1.009 529 E HN 0.540 nan 8.360 nan 0.000 0.416 530 T N 0.378 114.959 114.554 0.045 0.000 3.130 530 T HA 0.322 4.681 4.350 0.015 0.000 0.288 530 T C 0.520 175.235 174.700 0.025 0.000 0.936 530 T CA -0.488 61.632 62.100 0.034 0.000 0.897 530 T CB 0.046 68.932 68.868 0.030 0.000 1.178 530 T HN 0.261 nan 8.240 nan 0.000 0.543 531 R N 2.460 122.971 120.500 0.019 0.000 2.679 531 R HA 0.426 4.775 4.340 0.015 0.000 0.269 531 R C -2.496 173.790 176.300 -0.023 0.000 1.076 531 R CA -1.625 54.474 56.100 -0.001 0.000 1.160 531 R CB 0.036 30.327 30.300 -0.015 0.000 1.054 531 R HN 0.236 nan 8.270 nan 0.000 0.507 532 P HA 0.103 nan 4.420 nan 0.000 0.276 532 P C -1.077 176.161 177.300 -0.103 0.000 1.252 532 P CA -0.162 62.904 63.100 -0.057 0.000 0.802 532 P CB 0.705 32.372 31.700 -0.056 0.000 1.035 533 L N 2.094 123.239 121.223 -0.130 0.000 2.376 533 L HA 0.564 4.913 4.340 0.015 0.000 0.275 533 L C -1.077 175.666 176.870 -0.213 0.000 0.987 533 L CA -0.605 54.120 54.840 -0.192 0.000 0.828 533 L CB 0.718 42.660 42.059 -0.196 0.000 1.249 533 L HN 0.225 nan 8.230 nan 0.000 0.409 534 I N 5.597 126.047 120.570 -0.200 0.000 2.468 534 I HA 0.264 4.443 4.170 0.015 0.000 0.285 534 I C -0.752 175.286 176.117 -0.132 0.000 1.039 534 I CA -0.582 60.588 61.300 -0.216 0.000 1.074 534 I CB 1.952 39.878 38.000 -0.122 0.000 1.228 534 I HN 0.451 nan 8.210 nan 0.000 0.436 535 L N 5.746 126.867 121.223 -0.170 0.000 2.513 535 L HA 0.008 4.357 4.340 0.015 0.000 0.272 535 L C 1.517 178.479 176.870 0.154 0.000 1.187 535 L CA -0.070 54.737 54.840 -0.054 0.000 0.895 535 L CB 0.473 42.485 42.059 -0.078 0.000 1.147 535 L HN 0.863 nan 8.230 nan 0.000 0.483 536 C N 0.286 119.642 119.300 0.093 0.000 2.446 536 C HA 0.106 4.575 4.460 0.015 0.000 0.279 536 C C 0.638 175.765 174.990 0.229 0.000 1.366 536 C CA -0.098 59.006 59.018 0.143 0.000 1.763 536 C CB -1.059 26.681 27.740 0.000 0.000 1.929 536 C HN 0.830 nan 8.230 nan 0.000 0.509 537 E N -0.820 119.446 120.200 0.110 0.000 2.321 537 E HA 0.643 5.002 4.350 0.015 0.000 0.278 537 E C -1.323 175.254 176.600 -0.038 0.000 0.902 537 E CA -0.433 56.037 56.400 0.116 0.000 0.758 537 E CB 1.985 31.598 29.700 -0.144 0.000 1.213 537 E HN 0.689 nan 8.360 nan 0.000 0.426 538 Y N -1.326 118.984 120.300 0.016 0.000 2.713 538 Y HA 0.619 5.179 4.550 0.017 0.000 0.335 538 Y C -0.800 175.277 175.900 0.295 0.000 1.222 538 Y CA -0.966 57.148 58.100 0.024 0.000 1.061 538 Y CB 0.853 39.159 38.460 -0.256 0.000 1.314 538 Y HN 0.688 nan 8.280 nan 0.000 0.453 539 A N 1.909 124.802 122.820 0.121 0.000 2.303 539 A HA -0.263 4.066 4.320 0.015 0.000 0.286 539 A C -0.454 177.264 177.584 0.225 0.000 1.429 539 A CA 1.055 53.158 52.037 0.111 0.000 0.738 539 A CB -2.407 16.573 19.000 -0.033 0.000 1.149 539 A HN 1.076 nan 8.150 nan 0.000 0.364 540 H N 0.954 120.179 119.070 0.258 0.000 3.145 540 H HA 0.287 4.851 4.556 0.015 0.000 0.263 540 H C 1.141 176.539 175.328 0.116 0.000 1.057 540 H CA 0.790 56.997 56.048 0.264 0.000 1.477 540 H CB 0.417 30.209 29.762 0.050 0.000 1.529 540 H HN 0.787 nan 8.280 nan 0.000 0.508 541 A N 6.389 129.136 122.820 -0.121 0.000 2.648 541 A HA 0.043 4.372 4.320 0.015 0.000 0.269 541 A C 0.985 178.443 177.584 -0.209 0.000 1.392 541 A CA -0.391 51.551 52.037 -0.158 0.000 1.019 541 A CB -0.626 18.271 19.000 -0.171 0.000 1.009 541 A HN 0.800 nan 8.150 nan 0.000 0.565 542 M N 1.387 120.833 119.600 -0.257 0.000 2.220 542 M HA 0.413 4.902 4.480 0.015 0.000 0.343 542 M C 1.073 177.204 176.300 -0.281 0.000 1.470 542 M CA 1.253 56.405 55.300 -0.247 0.000 1.161 542 M CB -0.388 32.119 32.600 -0.156 0.000 1.737 542 M HN 0.780 nan 8.290 nan 0.000 0.464 543 G N 4.361 112.960 108.800 -0.335 0.000 2.574 543 G HA2 -0.355 3.614 3.960 0.015 0.000 0.286 543 G HA3 -0.355 3.614 3.960 0.015 0.000 0.286 543 G C -0.170 174.177 174.900 -0.922 0.000 1.212 543 G CA 0.162 44.880 45.100 -0.637 0.000 0.979 543 G HN 0.843 nan 8.290 nan 0.000 0.557 544 N N 1.282 119.274 118.700 -1.181 0.000 2.421 544 N HA 0.508 5.257 4.740 0.015 0.000 0.260 544 N C -0.013 175.230 175.510 -0.444 0.000 1.173 544 N CA 1.077 53.615 53.050 -0.853 0.000 0.960 544 N CB 0.559 38.586 38.487 -0.768 0.000 1.273 544 N HN 0.828 nan 8.380 nan 0.000 0.497 545 S N 2.231 117.762 115.700 -0.281 0.000 2.973 545 S HA 0.623 5.102 4.470 0.015 0.000 0.317 545 S C -0.145 174.392 174.600 -0.105 0.000 1.196 545 S CA -0.340 57.754 58.200 -0.176 0.000 0.894 545 S CB 0.126 63.238 63.200 -0.146 0.000 1.292 545 S HN 0.379 nan 8.310 nan 0.000 0.614 546 L N 0.033 121.230 121.223 -0.044 0.000 4.696 546 L HA -0.051 4.298 4.340 0.015 0.000 0.398 546 L C 0.548 177.463 176.870 0.074 0.000 0.971 546 L CA 0.893 55.733 54.840 0.000 0.000 1.427 546 L CB -1.751 40.226 42.059 -0.137 0.000 1.965 546 L HN 0.743 nan 8.230 nan 0.000 0.593 547 G N -0.718 108.091 108.800 0.015 0.000 2.343 547 G HA2 0.470 4.439 3.960 0.015 0.000 0.254 547 G HA3 0.470 4.439 3.960 0.015 0.000 0.254 547 G C 1.234 176.174 174.900 0.067 0.000 1.277 547 G CA 0.248 45.333 45.100 -0.024 0.000 0.909 547 G HN 1.374 nan 8.290 nan 0.000 0.502 548 G N 1.756 110.586 108.800 0.049 0.000 2.175 548 G HA2 -0.311 3.658 3.960 0.015 0.000 0.244 548 G HA3 -0.311 3.658 3.960 0.015 0.000 0.244 548 G C 0.981 176.065 174.900 0.306 0.000 0.982 548 G CA 0.707 45.891 45.100 0.141 0.000 0.641 548 G HN 0.765 nan 8.290 nan 0.000 0.527 549 F N 1.857 121.933 119.950 0.210 0.000 2.126 549 F HA 0.145 4.681 4.527 0.016 0.000 0.299 549 F C 2.685 178.711 175.800 0.377 0.000 1.096 549 F CA 2.561 60.765 58.000 0.339 0.000 1.255 549 F CB -0.405 38.732 39.000 0.228 0.000 0.997 549 F HN 0.338 nan 8.300 nan 0.000 0.479 550 A N -0.302 122.704 122.820 0.310 0.000 2.019 550 A HA -0.248 4.081 4.320 0.015 0.000 0.219 550 A C 2.278 179.898 177.584 0.060 0.000 1.164 550 A CA 1.760 53.911 52.037 0.190 0.000 0.644 550 A CB -0.832 18.279 19.000 0.186 0.000 0.805 550 A HN 0.463 nan 8.150 nan 0.000 0.449 551 K N -1.593 118.819 120.400 0.020 0.000 2.097 551 K HA -0.185 4.144 4.320 0.015 0.000 0.206 551 K C 1.686 178.058 176.600 -0.380 0.000 1.049 551 K CA 1.645 57.852 56.287 -0.133 0.000 0.933 551 K CB -0.312 32.113 32.500 -0.125 0.000 0.717 551 K HN 0.588 nan 8.250 nan 0.000 0.442 552 Y N -0.726 119.296 120.300 -0.463 0.000 2.114 552 Y HA -0.247 4.312 4.550 0.014 0.000 0.284 552 Y C 2.048 176.990 175.900 -1.597 0.000 1.143 552 Y CA 1.639 59.100 58.100 -1.065 0.000 1.135 552 Y CB -0.375 37.450 38.460 -1.059 0.000 0.980 552 Y HN 0.164 nan 8.280 nan 0.000 0.499 553 W N 0.110 121.003 121.300 -0.678 0.000 2.338 553 W HA -0.249 4.421 4.660 0.017 0.000 0.304 553 W C 2.648 179.011 176.519 -0.260 0.000 1.212 553 W CA 1.718 58.815 57.345 -0.413 0.000 1.264 553 W CB -0.794 28.511 29.460 -0.258 0.000 1.142 553 W HN 0.068 nan 8.180 nan 0.000 0.512 554 Q N 0.736 120.456 119.800 -0.133 0.000 2.124 554 Q HA -0.178 4.171 4.340 0.015 0.000 0.202 554 Q C 2.160 178.101 176.000 -0.099 0.000 0.977 554 Q CA 2.141 57.903 55.803 -0.068 0.000 0.850 554 Q CB -0.626 28.088 28.738 -0.041 0.000 0.901 554 Q HN 0.284 nan 8.270 nan 0.000 0.429 555 A N -0.235 122.430 122.820 -0.258 0.000 1.897 555 A HA -0.070 4.259 4.320 0.015 0.000 0.215 555 A C 2.055 179.618 177.584 -0.034 0.000 1.181 555 A CA 0.851 52.777 52.037 -0.185 0.000 0.620 555 A CB -0.973 17.789 19.000 -0.397 0.000 0.821 555 A HN 0.458 nan 8.150 nan 0.000 0.443 556 F N -0.317 119.459 119.950 -0.290 0.000 2.126 556 F HA -0.215 4.321 4.527 0.014 0.000 0.299 556 F C 2.787 178.485 175.800 -0.169 0.000 1.096 556 F CA 1.139 58.935 58.000 -0.339 0.000 1.255 556 F CB -0.152 38.419 39.000 -0.715 0.000 0.997 556 F HN 0.156 nan 8.300 nan 0.000 0.479 557 R N 0.024 120.577 120.500 0.088 0.000 2.090 557 R HA -0.169 4.180 4.340 0.015 0.000 0.228 557 R C 2.149 178.481 176.300 0.053 0.000 1.110 557 R CA 1.185 57.320 56.100 0.058 0.000 0.973 557 R CB -0.418 29.915 30.300 0.054 0.000 0.869 557 R HN 0.370 nan 8.270 nan 0.000 0.440 558 Q N -0.314 119.542 119.800 0.094 0.000 2.123 558 Q HA -0.090 4.259 4.340 0.015 0.000 0.199 558 Q C -0.397 175.612 176.000 0.015 0.000 0.966 558 Q CA 1.080 56.928 55.803 0.074 0.000 0.845 558 Q CB 0.297 29.111 28.738 0.127 0.000 0.907 558 Q HN 0.201 nan 8.270 nan 0.000 0.439 559 Y N 0.190 120.473 120.300 -0.028 0.000 2.385 559 Y HA 0.231 4.789 4.550 0.013 0.000 0.341 559 Y C -1.754 174.123 175.900 -0.038 0.000 0.965 559 Y CA -2.698 55.386 58.100 -0.027 0.000 1.180 559 Y CB 1.331 39.781 38.460 -0.017 0.000 1.139 559 Y HN 0.152 nan 8.280 nan 0.000 0.502 560 P HA -0.207 nan 4.420 nan 0.000 0.216 560 P C 1.131 178.434 177.300 0.005 0.000 1.157 560 P CA 1.978 65.076 63.100 -0.003 0.000 0.880 560 P CB 0.291 31.974 31.700 -0.028 0.000 0.791 561 R N -1.194 119.329 120.500 0.038 0.000 2.280 561 R HA 0.051 4.400 4.340 0.015 0.000 0.207 561 R C 0.489 176.781 176.300 -0.013 0.000 1.043 561 R CA 0.226 56.336 56.100 0.016 0.000 1.006 561 R CB -0.582 29.735 30.300 0.029 0.000 0.885 561 R HN 0.251 nan 8.270 nan 0.000 0.467 562 L N 2.031 123.269 121.223 0.025 0.000 2.312 562 L HA 0.115 4.464 4.340 0.015 0.000 0.287 562 L C 0.534 177.272 176.870 -0.221 0.000 1.091 562 L CA 0.140 54.947 54.840 -0.055 0.000 0.846 562 L CB 1.029 43.131 42.059 0.072 0.000 1.219 562 L HN 0.075 nan 8.230 nan 0.000 0.439 563 Q N 2.907 122.503 119.800 -0.341 0.000 2.211 563 Q HA 0.315 4.664 4.340 0.015 0.000 0.231 563 Q C 0.882 176.472 176.000 -0.683 0.000 0.865 563 Q CA 0.110 55.671 55.803 -0.403 0.000 0.997 563 Q CB 0.946 29.538 28.738 -0.243 0.000 1.101 563 Q HN 0.954 nan 8.270 nan 0.000 0.468 564 G N -0.254 107.739 108.800 -1.344 0.000 2.445 564 G HA2 0.074 4.042 3.960 0.015 0.000 0.212 564 G HA3 0.074 4.042 3.960 0.015 0.000 0.212 564 G C -0.217 173.841 174.900 -1.404 0.000 1.217 564 G CA -0.735 43.181 45.100 -1.973 0.000 1.002 564 G HN 0.624 nan 8.290 nan 0.000 0.574 565 G N -2.294 105.995 108.800 -0.851 0.000 2.342 565 G HA2 0.642 4.611 3.960 0.015 0.000 0.297 565 G HA3 0.642 4.611 3.960 0.015 0.000 0.297 565 G C -1.871 173.009 174.900 -0.033 0.000 1.313 565 G CA -0.224 44.616 45.100 -0.433 0.000 0.830 565 G HN 1.172 nan 8.290 nan 0.000 0.506 566 F N 0.503 120.706 119.950 0.422 0.000 2.460 566 F HA 0.539 5.074 4.527 0.013 0.000 0.341 566 F C 0.737 176.849 175.800 0.521 0.000 1.130 566 F CA -0.761 57.519 58.000 0.465 0.000 0.962 566 F CB 2.142 41.303 39.000 0.269 0.000 1.171 566 F HN 0.267 nan 8.300 nan 0.000 0.436 567 V N 3.299 123.534 119.914 0.536 0.000 2.872 567 V HA -0.134 3.995 4.120 0.015 0.000 0.307 567 V C -0.287 175.964 176.094 0.262 0.000 1.072 567 V CA -0.206 62.192 62.300 0.164 0.000 1.148 567 V CB 0.792 32.724 31.823 0.181 0.000 0.954 567 V HN 0.762 nan 8.190 nan 0.000 0.490 568 W N 6.459 127.845 121.300 0.143 0.000 2.278 568 W HA 0.447 5.116 4.660 0.014 0.000 0.317 568 W C -0.846 175.693 176.519 0.034 0.000 1.030 568 W CA -0.663 56.801 57.345 0.199 0.000 1.334 568 W CB 1.266 31.013 29.460 0.478 0.000 1.215 568 W HN 0.920 nan 8.180 nan 0.000 0.405 569 D N 2.666 122.760 120.400 -0.509 0.000 2.895 569 D HA 0.099 4.748 4.640 0.015 0.000 0.320 569 D C 0.611 176.676 176.300 -0.392 0.000 1.249 569 D CA -0.546 53.017 54.000 -0.728 0.000 0.997 569 D CB 0.220 40.005 40.800 -1.693 0.000 1.430 569 D HN 0.396 nan 8.370 nan 0.000 0.558 570 W N 0.425 121.408 121.300 -0.527 0.000 2.413 570 W HA 0.172 4.841 4.660 0.015 0.000 0.315 570 W C -0.161 176.135 176.519 -0.372 0.000 1.186 570 W CA 1.019 58.111 57.345 -0.422 0.000 1.326 570 W CB 0.353 29.587 29.460 -0.378 0.000 1.153 570 W HN 0.150 nan 8.180 nan 0.000 0.489 571 V N 2.712 122.375 119.914 -0.419 0.000 2.656 571 V HA 0.244 4.373 4.120 0.015 0.000 0.307 571 V C -0.960 174.937 176.094 -0.328 0.000 1.051 571 V CA -0.754 61.258 62.300 -0.479 0.000 0.893 571 V CB 1.542 33.201 31.823 -0.273 0.000 0.999 571 V HN -0.112 nan 8.190 nan 0.000 0.426 572 D N 4.044 124.249 120.400 -0.324 0.000 2.458 572 D HA 0.138 4.787 4.640 0.015 0.000 0.243 572 D C 0.263 176.407 176.300 -0.261 0.000 1.146 572 D CA 0.601 54.468 54.000 -0.222 0.000 0.877 572 D CB 0.918 41.670 40.800 -0.080 0.000 1.176 572 D HN 0.607 nan 8.370 nan 0.000 0.461 573 Q N 1.203 120.775 119.800 -0.378 0.000 3.207 573 Q HA 0.151 4.500 4.340 0.015 0.000 0.335 573 Q C -0.104 175.829 176.000 -0.112 0.000 1.374 573 Q CA -0.357 54.972 55.803 -0.791 0.000 1.023 573 Q CB 0.042 28.425 28.738 -0.592 0.000 1.576 573 Q HN 0.352 nan 8.270 nan 0.000 0.515 574 S N 0.015 115.765 115.700 0.084 0.000 2.616 574 S HA 0.626 5.105 4.470 0.015 0.000 0.277 574 S C -0.144 174.631 174.600 0.292 0.000 1.234 574 S CA -0.796 57.573 58.200 0.283 0.000 1.028 574 S CB 1.413 64.765 63.200 0.253 0.000 0.988 574 S HN 0.360 nan 8.310 nan 0.000 0.522 575 L N 1.934 123.266 121.223 0.182 0.000 2.334 575 L HA 0.511 4.860 4.340 0.015 0.000 0.273 575 L C -0.462 176.329 176.870 -0.131 0.000 1.013 575 L CA -1.207 53.616 54.840 -0.029 0.000 0.816 575 L CB 1.435 43.350 42.059 -0.241 0.000 1.278 575 L HN 0.559 nan 8.230 nan 0.000 0.431 576 I N 2.662 123.098 120.570 -0.224 0.000 2.441 576 I HA 0.248 4.427 4.170 0.015 0.000 0.287 576 I C 0.254 175.965 176.117 -0.677 0.000 1.049 576 I CA 0.034 61.068 61.300 -0.444 0.000 1.381 576 I CB 0.982 38.729 38.000 -0.422 0.000 1.409 576 I HN 0.570 nan 8.210 nan 0.000 0.523 577 K N 5.169 124.877 120.400 -1.153 0.000 2.306 577 K HA 0.553 4.882 4.320 0.015 0.000 0.236 577 K C -1.471 174.279 176.600 -1.416 0.000 1.013 577 K CA -0.710 54.805 56.287 -1.286 0.000 0.857 577 K CB 2.098 33.473 32.500 -1.874 0.000 1.214 577 K HN 0.224 nan 8.250 nan 0.000 0.449 578 Y N 0.671 120.714 120.300 -0.429 0.000 2.429 578 Y HA 0.141 4.700 4.550 0.015 0.000 0.342 578 Y C 0.258 176.261 175.900 0.172 0.000 1.004 578 Y CA -1.057 56.982 58.100 -0.101 0.000 1.075 578 Y CB 1.156 39.581 38.460 -0.058 0.000 1.214 578 Y HN 0.668 nan 8.280 nan 0.000 0.455 579 D N -0.072 120.578 120.400 0.417 0.000 2.478 579 D HA 0.079 4.728 4.640 0.015 0.000 0.274 579 D C 0.765 177.181 176.300 0.194 0.000 1.234 579 D CA -0.358 53.838 54.000 0.328 0.000 1.069 579 D CB 0.603 41.530 40.800 0.211 0.000 1.113 579 D HN 0.458 nan 8.370 nan 0.000 0.571 580 E N -0.452 119.821 120.200 0.120 0.000 2.160 580 E HA -0.154 4.205 4.350 0.015 0.000 0.195 580 E C 1.299 177.941 176.600 0.070 0.000 0.991 580 E CA 0.926 57.373 56.400 0.078 0.000 0.810 580 E CB -0.275 29.452 29.700 0.045 0.000 0.742 580 E HN 0.506 nan 8.360 nan 0.000 0.466 581 N N -0.304 118.446 118.700 0.082 0.000 2.494 581 N HA -0.046 4.703 4.740 0.015 0.000 0.182 581 N C 1.391 176.951 175.510 0.082 0.000 1.076 581 N CA 0.962 54.054 53.050 0.071 0.000 0.908 581 N CB 0.656 39.181 38.487 0.062 0.000 0.967 581 N HN 0.250 nan 8.380 nan 0.000 0.449 582 G N 0.725 109.600 108.800 0.124 0.000 2.175 582 G HA2 -0.227 3.742 3.960 0.015 0.000 0.244 582 G HA3 -0.227 3.742 3.960 0.015 0.000 0.244 582 G C -0.323 174.716 174.900 0.230 0.000 0.982 582 G CA -0.424 44.748 45.100 0.120 0.000 0.641 582 G HN 0.311 nan 8.290 nan 0.000 0.527 583 N N 2.347 121.183 118.700 0.227 0.000 2.444 583 N HA 0.435 5.184 4.740 0.015 0.000 0.271 583 N C -2.502 173.157 175.510 0.248 0.000 1.069 583 N CA -0.961 52.221 53.050 0.220 0.000 0.965 583 N CB 1.934 40.514 38.487 0.156 0.000 1.092 583 N HN 0.248 nan 8.380 nan 0.000 0.476 584 P HA 0.303 nan 4.420 nan 0.000 0.282 584 P C -0.521 176.752 177.300 -0.045 0.000 1.249 584 P CA -0.396 62.586 63.100 -0.197 0.000 0.806 584 P CB 0.896 32.474 31.700 -0.204 0.000 0.984 585 W N -0.560 120.510 121.300 -0.384 0.000 3.118 585 W HA 0.435 5.104 4.660 0.015 0.000 0.328 585 W C -1.539 174.807 176.519 -0.288 0.000 1.239 585 W CA -1.076 56.057 57.345 -0.354 0.000 1.176 585 W CB 0.461 29.505 29.460 -0.694 0.000 1.433 585 W HN 0.119 nan 8.180 nan 0.000 0.562 586 S N 1.561 117.356 115.700 0.158 0.000 2.465 586 S HA 0.575 5.054 4.470 0.015 0.000 0.279 586 S C 0.140 174.926 174.600 0.309 0.000 1.201 586 S CA -0.292 57.992 58.200 0.140 0.000 1.053 586 S CB 0.912 64.247 63.200 0.224 0.000 0.953 586 S HN 0.599 nan 8.310 nan 0.000 0.488 587 A N 3.071 125.935 122.820 0.074 0.000 2.325 587 A HA 0.844 5.173 4.320 0.015 0.000 0.333 587 A C -0.607 177.237 177.584 0.434 0.000 1.155 587 A CA -0.717 51.401 52.037 0.135 0.000 0.814 587 A CB 0.557 19.340 19.000 -0.361 0.000 1.206 587 A HN 0.833 nan 8.150 nan 0.000 0.482 588 Y N -0.121 120.506 120.300 0.544 0.000 3.013 588 Y HA 0.787 5.346 4.550 0.015 0.000 0.310 588 Y C 0.690 176.956 175.900 0.610 0.000 1.450 588 Y CA -1.476 56.937 58.100 0.521 0.000 1.091 588 Y CB -0.149 38.444 38.460 0.222 0.000 1.373 588 Y HN 0.855 nan 8.280 nan 0.000 0.590 589 G N -0.302 108.908 108.800 0.684 0.000 2.321 589 G HA2 0.375 4.344 3.960 0.015 0.000 0.237 589 G HA3 0.375 4.344 3.960 0.015 0.000 0.237 589 G C 0.943 176.170 174.900 0.545 0.000 1.282 589 G CA 0.341 45.757 45.100 0.526 0.000 0.886 589 G HN 1.956 nan 8.290 nan 0.000 0.528 590 G N 2.132 111.222 108.800 0.483 0.000 2.253 590 G HA2 -0.282 3.687 3.960 0.015 0.000 0.251 590 G HA3 -0.282 3.687 3.960 0.015 0.000 0.251 590 G C 0.905 175.998 174.900 0.321 0.000 0.998 590 G CA 0.652 45.971 45.100 0.365 0.000 0.621 590 G HN 0.646 nan 8.290 nan 0.000 0.524 591 D N -0.258 120.343 120.400 0.336 0.000 2.378 591 D HA 0.156 4.805 4.640 0.015 0.000 0.227 591 D C 1.206 177.368 176.300 -0.230 0.000 1.012 591 D CA 0.510 54.544 54.000 0.057 0.000 0.905 591 D CB -0.199 40.583 40.800 -0.030 0.000 0.895 591 D HN 0.486 nan 8.370 nan 0.000 0.532 592 F N -1.166 118.917 119.950 0.222 0.000 2.724 592 F HA 0.302 4.837 4.527 0.015 0.000 0.310 592 F C 1.777 177.666 175.800 0.149 0.000 1.107 592 F CA -0.167 57.920 58.000 0.145 0.000 1.218 592 F CB 0.889 39.967 39.000 0.130 0.000 1.042 592 F HN -0.048 nan 8.300 nan 0.000 0.540 593 G N 0.323 109.282 108.800 0.265 0.000 2.176 593 G HA2 -0.266 3.703 3.960 0.015 0.000 0.253 593 G HA3 -0.266 3.703 3.960 0.015 0.000 0.253 593 G C -0.230 174.806 174.900 0.227 0.000 0.979 593 G CA 0.099 45.323 45.100 0.206 0.000 0.641 593 G HN 0.373 nan 8.290 nan 0.000 0.530 594 D N 0.599 121.183 120.400 0.307 0.000 2.425 594 D HA 0.500 5.148 4.640 0.015 0.000 0.247 594 D C 0.148 176.568 176.300 0.200 0.000 1.147 594 D CA 0.991 55.156 54.000 0.276 0.000 0.879 594 D CB 1.620 42.640 40.800 0.367 0.000 1.179 594 D HN 0.350 nan 8.370 nan 0.000 0.456 595 T N 1.009 115.651 114.554 0.147 0.000 3.047 595 T HA 0.410 4.768 4.350 0.015 0.000 0.340 595 T C -2.754 171.983 174.700 0.062 0.000 1.421 595 T CA -1.162 60.996 62.100 0.097 0.000 1.090 595 T CB 1.019 69.948 68.868 0.100 0.000 1.292 595 T HN 0.191 nan 8.240 nan 0.000 0.480 596 P HA 0.461 nan 4.420 nan 0.000 0.270 596 P C -0.873 176.420 177.300 -0.012 0.000 1.223 596 P CA -0.264 62.839 63.100 0.004 0.000 0.785 596 P CB 0.332 32.010 31.700 -0.037 0.000 0.923 597 N N -1.541 117.150 118.700 -0.015 0.000 2.774 597 N HA 0.340 5.089 4.740 0.015 0.000 0.264 597 N C -1.153 174.298 175.510 -0.098 0.000 1.415 597 N CA -0.799 52.215 53.050 -0.061 0.000 0.815 597 N CB 0.943 39.482 38.487 0.087 0.000 1.514 597 N HN 0.069 nan 8.380 nan 0.000 0.523 598 D N -0.294 119.991 120.400 -0.192 0.000 2.772 598 D HA 0.147 4.796 4.640 0.015 0.000 0.272 598 D C 0.372 176.849 176.300 0.295 0.000 1.314 598 D CA -0.164 53.799 54.000 -0.061 0.000 0.835 598 D CB 0.153 40.773 40.800 -0.301 0.000 1.080 598 D HN 0.718 nan 8.370 nan 0.000 0.482 599 R N 0.718 121.392 120.500 0.289 0.000 3.559 599 R HA -0.319 4.030 4.340 0.015 0.000 0.569 599 R C 1.053 177.366 176.300 0.022 0.000 0.241 599 R CA 1.442 57.710 56.100 0.280 0.000 1.762 599 R CB -1.554 28.834 30.300 0.146 0.000 0.881 599 R HN 0.114 nan 8.270 nan 0.000 0.615 600 Q N 1.442 120.901 119.800 -0.569 0.000 2.482 600 Q HA -0.008 4.341 4.340 0.015 0.000 0.209 600 Q C 1.702 177.409 176.000 -0.489 0.000 0.961 600 Q CA 1.358 56.640 55.803 -0.869 0.000 0.945 600 Q CB -0.097 27.930 28.738 -1.185 0.000 1.012 600 Q HN 0.610 nan 8.270 nan 0.000 0.515 601 F N 1.610 121.474 119.950 -0.143 0.000 2.449 601 F HA -0.156 4.380 4.527 0.015 0.000 0.299 601 F C 2.238 177.976 175.800 -0.103 0.000 1.092 601 F CA 1.197 59.194 58.000 -0.004 0.000 1.446 601 F CB -0.152 38.919 39.000 0.118 0.000 1.084 601 F HN 0.404 nan 8.300 nan 0.000 0.567 602 C N -1.406 117.597 119.300 -0.494 0.000 2.522 602 C HA 0.192 4.661 4.460 0.015 0.000 0.271 602 C C 1.069 175.850 174.990 -0.349 0.000 1.425 602 C CA -0.485 58.050 59.018 -0.806 0.000 1.751 602 C CB -1.662 25.053 27.740 -1.709 0.000 1.775 602 C HN 0.192 nan 8.230 nan 0.000 0.557 603 M N 2.761 122.213 119.600 -0.246 0.000 2.103 603 M HA 0.271 4.760 4.480 0.015 0.000 0.350 603 M C -0.381 175.819 176.300 -0.166 0.000 1.100 603 M CA 0.333 55.530 55.300 -0.172 0.000 1.042 603 M CB -0.023 32.508 32.600 -0.116 0.000 1.368 603 M HN 0.378 nan 8.290 nan 0.000 0.404 604 N N 0.943 119.546 118.700 -0.161 0.000 2.305 604 N HA 0.209 4.958 4.740 0.015 0.000 0.248 604 N C 0.279 175.613 175.510 -0.294 0.000 1.290 604 N CA -0.562 52.361 53.050 -0.212 0.000 0.873 604 N CB 1.198 39.635 38.487 -0.083 0.000 1.261 604 N HN 0.642 nan 8.380 nan 0.000 0.504 605 G N -0.061 108.540 108.800 -0.331 0.000 2.504 605 G HA2 0.362 4.331 3.960 0.015 0.000 0.288 605 G HA3 0.362 4.331 3.960 0.015 0.000 0.288 605 G C 0.688 175.191 174.900 -0.662 0.000 1.182 605 G CA -0.553 44.240 45.100 -0.512 0.000 0.894 605 G HN 0.099 nan 8.290 nan 0.000 0.521 606 L N -0.115 120.686 121.223 -0.704 0.000 2.313 606 L HA 0.108 4.457 4.340 0.015 0.000 0.214 606 L C 0.914 177.158 176.870 -1.043 0.000 1.119 606 L CA 0.441 54.875 54.840 -0.676 0.000 0.809 606 L CB -0.193 41.583 42.059 -0.471 0.000 0.933 606 L HN 0.394 nan 8.230 nan 0.000 0.449 607 V N -4.831 114.339 119.914 -1.240 0.000 2.864 607 V HA 0.461 4.590 4.120 0.015 0.000 0.314 607 V C -0.183 175.363 176.094 -0.915 0.000 1.073 607 V CA -1.251 60.431 62.300 -1.031 0.000 0.956 607 V CB 1.548 32.863 31.823 -0.846 0.000 1.023 607 V HN -0.139 nan 8.190 nan 0.000 0.435 608 F N 1.654 121.376 119.950 -0.381 0.000 2.480 608 F HA 0.533 5.069 4.527 0.015 0.000 0.319 608 F C 1.983 177.690 175.800 -0.155 0.000 1.230 608 F CA 0.645 58.591 58.000 -0.090 0.000 1.285 608 F CB 0.760 39.765 39.000 0.009 0.000 1.208 608 F HN 0.777 nan 8.300 nan 0.000 0.579 609 A N 0.726 123.623 122.820 0.129 0.000 1.986 609 A HA -0.243 4.086 4.320 0.015 0.000 0.220 609 A C 1.624 179.185 177.584 -0.038 0.000 1.171 609 A CA 2.034 54.102 52.037 0.053 0.000 0.640 609 A CB -0.980 18.084 19.000 0.107 0.000 0.811 609 A HN 0.792 nan 8.150 nan 0.000 0.451 610 D N -3.272 117.123 120.400 -0.007 0.000 2.328 610 D HA 0.167 4.816 4.640 0.015 0.000 0.221 610 D C 0.634 176.918 176.300 -0.027 0.000 1.072 610 D CA 0.003 53.968 54.000 -0.059 0.000 0.850 610 D CB -0.008 40.762 40.800 -0.050 0.000 0.922 610 D HN 0.208 nan 8.370 nan 0.000 0.516 611 R N -1.898 118.588 120.500 -0.025 0.000 3.584 611 R HA -0.113 4.236 4.340 0.015 0.000 0.488 611 R C -0.253 176.043 176.300 -0.006 0.000 0.869 611 R CA 1.030 57.109 56.100 -0.034 0.000 1.325 611 R CB -3.213 27.105 30.300 0.029 0.000 2.015 611 R HN 0.235 nan 8.270 nan 0.000 0.489 612 T N 2.873 117.465 114.554 0.064 0.000 2.851 612 T HA 0.381 4.740 4.350 0.015 0.000 0.298 612 T C -2.345 172.462 174.700 0.179 0.000 0.977 612 T CA -0.890 61.278 62.100 0.113 0.000 1.126 612 T CB 1.096 70.026 68.868 0.102 0.000 0.916 612 T HN -0.095 nan 8.240 nan 0.000 0.529 613 P HA 0.217 nan 4.420 nan 0.000 0.275 613 P C -0.197 177.178 177.300 0.126 0.000 1.228 613 P CA -0.304 62.794 63.100 -0.003 0.000 0.786 613 P CB 0.470 32.171 31.700 0.002 0.000 0.927 614 H N 2.187 121.123 119.070 -0.222 0.000 2.509 614 H HA 0.131 4.696 4.556 0.015 0.000 0.359 614 H C -1.296 173.956 175.328 -0.127 0.000 1.253 614 H CA -1.896 53.993 56.048 -0.266 0.000 1.373 614 H CB 0.228 29.777 29.762 -0.356 0.000 1.555 614 H HN 0.318 nan 8.280 nan 0.000 0.586 615 P HA -0.156 nan 4.420 nan 0.000 0.217 615 P C 1.145 178.454 177.300 0.014 0.000 1.150 615 P CA 1.527 64.634 63.100 0.011 0.000 0.832 615 P CB -0.008 31.699 31.700 0.011 0.000 0.787 616 A N -0.584 122.248 122.820 0.019 0.000 2.076 616 A HA -0.191 4.138 4.320 0.015 0.000 0.220 616 A C 2.059 179.594 177.584 -0.081 0.000 1.160 616 A CA 1.227 53.235 52.037 -0.049 0.000 0.653 616 A CB -1.609 17.342 19.000 -0.082 0.000 0.801 616 A HN 0.166 nan 8.150 nan 0.000 0.455 617 L N -0.169 121.025 121.223 -0.048 0.000 2.083 617 L HA -0.124 4.225 4.340 0.015 0.000 0.209 617 L C 2.370 179.278 176.870 0.063 0.000 1.083 617 L CA 2.703 57.543 54.840 -0.000 0.000 0.752 617 L CB -0.809 41.248 42.059 -0.003 0.000 0.899 617 L HN 0.377 nan 8.230 nan 0.000 0.433 618 T N -1.425 113.176 114.554 0.078 0.000 2.951 618 T HA -0.145 4.214 4.350 0.015 0.000 0.268 618 T C 1.688 176.496 174.700 0.181 0.000 1.073 618 T CA 1.205 63.412 62.100 0.178 0.000 1.134 618 T CB -0.109 68.847 68.868 0.148 0.000 0.884 618 T HN 0.323 nan 8.240 nan 0.000 0.479 619 E N 1.652 121.893 120.200 0.069 0.000 2.072 619 E HA 0.008 4.367 4.350 0.015 0.000 0.191 619 E C 2.240 178.826 176.600 -0.023 0.000 0.985 619 E CA 1.203 57.638 56.400 0.059 0.000 0.801 619 E CB -0.477 29.223 29.700 -0.000 0.000 0.750 619 E HN 0.443 nan 8.360 nan 0.000 0.452 620 A N 1.001 123.703 122.820 -0.197 0.000 1.873 620 A HA -0.192 4.137 4.320 0.015 0.000 0.215 620 A C 2.154 179.603 177.584 -0.224 0.000 1.186 620 A CA 1.825 53.670 52.037 -0.319 0.000 0.616 620 A CB -0.630 18.191 19.000 -0.298 0.000 0.823 620 A HN 0.258 nan 8.150 nan 0.000 0.442 621 K N -1.115 119.234 120.400 -0.085 0.000 2.044 621 K HA -0.314 4.015 4.320 0.015 0.000 0.210 621 K C 2.042 178.534 176.600 -0.181 0.000 1.049 621 K CA 2.177 58.431 56.287 -0.054 0.000 0.927 621 K CB -0.366 32.254 32.500 0.201 0.000 0.713 621 K HN 0.647 nan 8.250 nan 0.000 0.443 622 H N 0.253 119.136 119.070 -0.310 0.000 2.326 622 H HA -0.012 4.553 4.556 0.016 0.000 0.301 622 H C 1.993 177.051 175.328 -0.450 0.000 1.081 622 H CA 1.754 57.430 56.048 -0.621 0.000 1.334 622 H CB 0.085 29.522 29.762 -0.541 0.000 1.385 622 H HN 0.242 nan 8.280 nan 0.000 0.504 623 Q N 0.258 119.814 119.800 -0.406 0.000 2.224 623 Q HA -0.087 4.262 4.340 0.015 0.000 0.203 623 Q C 1.443 176.934 176.000 -0.848 0.000 0.970 623 Q CA 1.158 56.669 55.803 -0.487 0.000 0.865 623 Q CB 0.043 28.684 28.738 -0.161 0.000 0.922 623 Q HN 0.701 nan 8.270 nan 0.000 0.445 624 Q N 0.320 119.558 119.800 -0.936 0.000 2.247 624 Q HA 0.078 4.427 4.340 0.015 0.000 0.205 624 Q C -0.128 175.323 176.000 -0.915 0.000 0.896 624 Q CA -0.198 54.891 55.803 -1.190 0.000 0.950 624 Q CB 0.330 28.408 28.738 -1.100 0.000 1.054 624 Q HN 0.374 nan 8.270 nan 0.000 0.482 625 Q N -0.611 118.797 119.800 -0.654 0.000 2.474 625 Q HA 0.002 4.351 4.340 0.015 0.000 0.256 625 Q C -0.079 175.546 176.000 -0.625 0.000 1.048 625 Q CA 0.358 55.898 55.803 -0.437 0.000 0.922 625 Q CB 0.465 29.035 28.738 -0.279 0.000 1.288 625 Q HN 0.300 nan 8.270 nan 0.000 0.484 626 F N -0.333 119.376 119.950 -0.401 0.000 2.695 626 F HA 0.237 4.773 4.527 0.014 0.000 0.303 626 F C -0.177 175.013 175.800 -1.017 0.000 1.091 626 F CA -0.058 57.456 58.000 -0.809 0.000 1.300 626 F CB 0.604 38.805 39.000 -1.332 0.000 1.071 626 F HN 0.294 nan 8.300 nan 0.000 0.578 627 F N 0.530 120.375 119.950 -0.174 0.000 2.507 627 F HA 0.496 5.033 4.527 0.016 0.000 0.325 627 F C -0.085 175.331 175.800 -0.640 0.000 1.116 627 F CA -1.116 56.667 58.000 -0.362 0.000 0.930 627 F CB 1.254 40.035 39.000 -0.364 0.000 1.146 627 F HN -0.311 nan 8.300 nan 0.000 0.447 628 Q N 2.994 122.523 119.800 -0.451 0.000 2.301 628 Q HA 0.606 4.955 4.340 0.015 0.000 0.267 628 Q C -1.343 174.400 176.000 -0.429 0.000 1.035 628 Q CA -0.648 54.936 55.803 -0.365 0.000 0.856 628 Q CB 2.935 31.593 28.738 -0.132 0.000 1.337 628 Q HN 0.592 nan 8.270 nan 0.000 0.450 629 F N 0.426 120.499 119.950 0.204 0.000 2.576 629 F HA 0.609 5.146 4.527 0.016 0.000 0.313 629 F C 0.188 176.212 175.800 0.373 0.000 1.078 629 F CA -1.067 57.121 58.000 0.313 0.000 0.921 629 F CB 1.798 41.100 39.000 0.504 0.000 1.232 629 F HN 0.106 nan 8.300 nan 0.000 0.459 630 R N 1.636 122.435 120.500 0.498 0.000 2.725 630 R HA 0.677 5.026 4.340 0.015 0.000 0.277 630 R C -1.925 174.416 176.300 0.068 0.000 0.987 630 R CA -1.152 55.148 56.100 0.333 0.000 0.901 630 R CB 2.191 32.596 30.300 0.174 0.000 1.207 630 R HN 0.639 nan 8.270 nan 0.000 0.463 631 L N -0.031 121.100 121.223 -0.154 0.000 2.362 631 L HA 0.690 5.039 4.340 0.015 0.000 0.275 631 L C -0.871 175.843 176.870 -0.260 0.000 0.998 631 L CA 0.109 54.650 54.840 -0.497 0.000 0.820 631 L CB 2.260 43.609 42.059 -1.185 0.000 1.270 631 L HN 0.519 nan 8.230 nan 0.000 0.415 632 S N 3.465 119.036 115.700 -0.215 0.000 2.721 632 S HA 0.685 5.164 4.470 0.015 0.000 0.264 632 S C 0.185 174.701 174.600 -0.140 0.000 1.161 632 S CA 0.215 58.334 58.200 -0.136 0.000 1.113 632 S CB 0.276 63.430 63.200 -0.077 0.000 1.079 632 S HN 1.522 nan 8.310 nan 0.000 0.479 633 G N 4.385 113.101 108.800 -0.139 0.000 2.557 633 G HA2 -0.319 3.650 3.960 0.015 0.000 0.292 633 G HA3 -0.319 3.650 3.960 0.015 0.000 0.292 633 G C 0.350 175.150 174.900 -0.167 0.000 1.162 633 G CA 0.668 45.692 45.100 -0.127 0.000 0.964 633 G HN 0.928 nan 8.290 nan 0.000 0.541 634 Q N -0.260 119.444 119.800 -0.160 0.000 2.179 634 Q HA 0.468 4.817 4.340 0.015 0.000 0.213 634 Q C 0.091 175.957 176.000 -0.223 0.000 0.833 634 Q CA 0.622 56.303 55.803 -0.204 0.000 0.990 634 Q CB 0.457 29.082 28.738 -0.188 0.000 1.132 634 Q HN 0.447 nan 8.270 nan 0.000 0.493 635 T N 1.699 116.138 114.554 -0.191 0.000 2.767 635 T HA 0.501 4.859 4.350 0.015 0.000 0.284 635 T C -0.238 174.345 174.700 -0.195 0.000 0.973 635 T CA -0.431 61.569 62.100 -0.166 0.000 0.996 635 T CB 1.108 69.911 68.868 -0.109 0.000 0.927 635 T HN 0.199 nan 8.240 nan 0.000 0.456 636 I N 2.817 123.282 120.570 -0.175 0.000 2.336 636 I HA 0.299 4.478 4.170 0.015 0.000 0.292 636 I C 0.539 176.656 176.117 -0.001 0.000 0.991 636 I CA -0.591 60.626 61.300 -0.139 0.000 1.227 636 I CB 1.325 39.252 38.000 -0.123 0.000 1.366 636 I HN 0.595 nan 8.210 nan 0.000 0.466 637 E N 6.665 126.901 120.200 0.060 0.000 2.134 637 E HA 0.424 4.783 4.350 0.015 0.000 0.278 637 E C -1.546 175.158 176.600 0.174 0.000 0.959 637 E CA -0.594 55.861 56.400 0.091 0.000 0.783 637 E CB 1.600 31.340 29.700 0.066 0.000 1.095 637 E HN 0.342 nan 8.360 nan 0.000 0.399 638 V N 4.225 124.224 119.914 0.142 0.000 2.398 638 V HA 0.319 4.448 4.120 0.015 0.000 0.286 638 V C -0.042 176.085 176.094 0.054 0.000 1.026 638 V CA -0.560 61.805 62.300 0.109 0.000 0.868 638 V CB 1.700 33.603 31.823 0.135 0.000 0.982 638 V HN 0.708 nan 8.190 nan 0.000 0.443 639 T N 3.249 117.798 114.554 -0.009 0.000 2.807 639 T HA 0.323 4.682 4.350 0.015 0.000 0.279 639 T C -0.030 174.678 174.700 0.013 0.000 0.993 639 T CA -0.249 61.855 62.100 0.007 0.000 0.970 639 T CB 1.553 70.407 68.868 -0.023 0.000 0.950 639 T HN 0.675 nan 8.240 nan 0.000 0.441 640 S N 1.877 117.601 115.700 0.040 0.000 2.513 640 S HA 0.190 4.669 4.470 0.015 0.000 0.276 640 S C 0.887 175.382 174.600 -0.175 0.000 1.254 640 S CA -0.490 57.678 58.200 -0.053 0.000 1.053 640 S CB 0.516 63.761 63.200 0.074 0.000 0.958 640 S HN 0.725 nan 8.310 nan 0.000 0.491 641 E N 3.119 123.105 120.200 -0.357 0.000 2.474 641 E HA 0.077 4.436 4.350 0.015 0.000 0.195 641 E C -0.607 175.822 176.600 -0.285 0.000 1.039 641 E CA -0.094 56.124 56.400 -0.304 0.000 0.881 641 E CB 0.262 29.747 29.700 -0.358 0.000 0.970 641 E HN 0.717 nan 8.360 nan 0.000 0.486 642 Y N 0.360 120.551 120.300 -0.181 0.000 2.457 642 Y HA -0.056 4.503 4.550 0.015 0.000 0.341 642 Y C 1.464 177.218 175.900 -0.244 0.000 1.240 642 Y CA 0.163 58.165 58.100 -0.164 0.000 1.437 642 Y CB 0.668 39.018 38.460 -0.183 0.000 1.328 642 Y HN -0.044 nan 8.280 nan 0.000 0.588 643 L N 0.854 121.937 121.223 -0.232 0.000 2.515 643 L HA 0.086 4.435 4.340 0.015 0.000 0.223 643 L C 0.616 177.034 176.870 -0.753 0.000 1.079 643 L CA 0.498 54.950 54.840 -0.647 0.000 0.857 643 L CB 0.057 41.366 42.059 -1.249 0.000 1.050 643 L HN 0.637 nan 8.230 nan 0.000 0.476 644 F N -0.515 119.461 119.950 0.043 0.000 2.658 644 F HA 0.213 4.748 4.527 0.013 0.000 0.293 644 F C 1.215 177.005 175.800 -0.016 0.000 0.986 644 F CA -0.800 57.196 58.000 -0.007 0.000 1.182 644 F CB 0.311 39.284 39.000 -0.046 0.000 0.965 644 F HN -0.171 nan 8.300 nan 0.000 0.659 645 R N 0.409 120.964 120.500 0.090 0.000 2.500 645 R HA 0.423 4.772 4.340 0.015 0.000 0.277 645 R C -0.899 175.402 176.300 0.002 0.000 1.026 645 R CA -0.655 55.442 56.100 -0.006 0.000 1.058 645 R CB 0.783 30.968 30.300 -0.192 0.000 1.078 645 R HN 0.087 nan 8.270 nan 0.000 0.509 646 H N 0.536 119.589 119.070 -0.028 0.000 2.547 646 H HA 0.087 4.652 4.556 0.015 0.000 0.362 646 H C -0.051 175.286 175.328 0.014 0.000 1.181 646 H CA 0.183 56.242 56.048 0.017 0.000 1.376 646 H CB 1.130 30.906 29.762 0.023 0.000 1.488 646 H HN 0.754 nan 8.280 nan 0.000 0.583 647 S N 2.012 117.570 115.700 -0.237 0.000 4.183 647 S HA -0.012 4.466 4.470 0.015 0.000 0.195 647 S C -0.018 174.680 174.600 0.163 0.000 1.421 647 S CA -0.287 57.947 58.200 0.055 0.000 0.920 647 S CB -0.685 62.565 63.200 0.084 0.000 1.525 647 S HN 0.714 nan 8.310 nan 0.000 0.447 648 D N 0.752 121.269 120.400 0.195 0.000 2.336 648 D HA 0.051 4.700 4.640 0.015 0.000 0.228 648 D C 0.307 176.662 176.300 0.090 0.000 1.120 648 D CA -0.234 53.868 54.000 0.170 0.000 0.839 648 D CB -0.351 40.530 40.800 0.134 0.000 0.932 648 D HN 0.511 nan 8.370 nan 0.000 0.509 649 N N 0.095 118.846 118.700 0.085 0.000 2.620 649 N HA 0.144 4.893 4.740 0.015 0.000 0.277 649 N C -1.588 173.972 175.510 0.083 0.000 1.726 649 N CA -0.195 52.895 53.050 0.067 0.000 0.840 649 N CB 0.316 38.836 38.487 0.055 0.000 1.379 649 N HN -0.075 nan 8.380 nan 0.000 0.506 650 E N -0.100 120.135 120.200 0.059 0.000 2.352 650 E HA 0.530 4.889 4.350 0.015 0.000 0.280 650 E C -1.584 175.003 176.600 -0.021 0.000 0.930 650 E CA -0.776 55.639 56.400 0.025 0.000 0.765 650 E CB 2.038 31.710 29.700 -0.046 0.000 1.219 650 E HN 0.253 nan 8.360 nan 0.000 0.434 651 L N 0.248 121.446 121.223 -0.041 0.000 2.422 651 L HA 0.719 5.068 4.340 0.015 0.000 0.264 651 L C -1.721 175.080 176.870 -0.115 0.000 0.984 651 L CA -0.918 53.862 54.840 -0.100 0.000 0.819 651 L CB 1.213 43.185 42.059 -0.145 0.000 1.330 651 L HN 0.564 nan 8.230 nan 0.000 0.410 652 L N 3.044 124.213 121.223 -0.091 0.000 2.264 652 L HA 0.598 4.947 4.340 0.015 0.000 0.289 652 L C -0.801 176.053 176.870 -0.028 0.000 1.044 652 L CA 0.252 55.100 54.840 0.012 0.000 0.807 652 L CB 0.608 42.732 42.059 0.109 0.000 1.192 652 L HN 0.768 nan 8.230 nan 0.000 0.425 653 H N 4.706 123.860 119.070 0.141 0.000 2.472 653 H HA 0.569 5.134 4.556 0.015 0.000 0.338 653 H C -1.117 174.319 175.328 0.179 0.000 1.133 653 H CA -0.209 55.890 56.048 0.086 0.000 1.216 653 H CB 1.083 30.846 29.762 0.002 0.000 1.497 653 H HN 0.635 nan 8.280 nan 0.000 0.500 654 W N 4.455 125.859 121.300 0.174 0.000 3.032 654 W HA 0.582 5.251 4.660 0.015 0.000 0.335 654 W C -1.815 174.767 176.519 0.105 0.000 1.154 654 W CA -1.361 56.059 57.345 0.124 0.000 1.204 654 W CB 1.287 30.799 29.460 0.087 0.000 1.416 654 W HN 0.604 nan 8.180 nan 0.000 0.521 655 M N 2.517 122.311 119.600 0.323 0.000 2.421 655 M HA 0.675 5.164 4.480 0.015 0.000 0.287 655 M C -2.433 174.061 176.300 0.323 0.000 1.183 655 M CA -0.824 54.539 55.300 0.105 0.000 0.916 655 M CB 2.043 34.603 32.600 -0.067 0.000 1.701 655 M HN 0.138 nan 8.290 nan 0.000 0.470 656 V N 2.396 122.482 119.914 0.287 0.000 2.448 656 V HA 0.941 5.070 4.120 0.015 0.000 0.295 656 V C -0.274 175.926 176.094 0.178 0.000 1.025 656 V CA -0.352 62.122 62.300 0.291 0.000 0.859 656 V CB 1.463 33.489 31.823 0.339 0.000 0.988 656 V HN 1.039 nan 8.190 nan 0.000 0.431 657 A N 4.497 127.432 122.820 0.193 0.000 2.435 657 A HA 0.882 5.211 4.320 0.015 0.000 0.304 657 A C -1.409 176.288 177.584 0.188 0.000 1.064 657 A CA -0.634 51.484 52.037 0.135 0.000 0.727 657 A CB 1.694 20.735 19.000 0.068 0.000 1.284 657 A HN 0.824 nan 8.150 nan 0.000 0.415 658 L N 1.620 122.923 121.223 0.133 0.000 2.262 658 L HA 0.498 4.847 4.340 0.015 0.000 0.288 658 L C -0.545 176.420 176.870 0.158 0.000 1.035 658 L CA 0.272 55.202 54.840 0.151 0.000 0.820 658 L CB 0.250 42.366 42.059 0.095 0.000 1.204 658 L HN 0.762 nan 8.230 nan 0.000 0.424 659 D N 4.789 125.347 120.400 0.264 0.000 2.692 659 D HA -0.213 4.436 4.640 0.015 0.000 0.233 659 D C 1.180 177.528 176.300 0.080 0.000 1.172 659 D CA 1.489 55.645 54.000 0.260 0.000 0.636 659 D CB -1.105 39.816 40.800 0.202 0.000 1.028 659 D HN 1.158 nan 8.370 nan 0.000 0.419 660 G N -0.798 108.005 108.800 0.005 0.000 2.241 660 G HA2 -0.353 3.616 3.960 0.015 0.000 0.244 660 G HA3 -0.353 3.616 3.960 0.015 0.000 0.244 660 G C 0.165 174.983 174.900 -0.136 0.000 0.998 660 G CA 0.394 45.380 45.100 -0.190 0.000 0.621 660 G HN 0.524 nan 8.290 nan 0.000 0.519 661 K N 1.830 122.203 120.400 -0.046 0.000 2.262 661 K HA 0.489 4.818 4.320 0.015 0.000 0.282 661 K C -2.835 173.754 176.600 -0.020 0.000 1.066 661 K CA -1.975 54.287 56.287 -0.041 0.000 0.901 661 K CB 1.695 34.187 32.500 -0.014 0.000 1.089 661 K HN 0.040 nan 8.250 nan 0.000 0.476 662 P HA -0.059 nan 4.420 nan 0.000 0.260 662 P C 0.099 177.394 177.300 -0.009 0.000 1.185 662 P CA 0.185 63.263 63.100 -0.037 0.000 0.763 662 P CB 0.543 32.200 31.700 -0.072 0.000 0.776 663 L N 1.775 123.011 121.223 0.021 0.000 2.577 663 L HA 0.456 4.805 4.340 0.015 0.000 0.225 663 L C 0.806 177.701 176.870 0.043 0.000 1.053 663 L CA 0.555 55.420 54.840 0.042 0.000 0.866 663 L CB 0.287 42.395 42.059 0.082 0.000 1.132 663 L HN 0.426 nan 8.230 nan 0.000 0.486 664 A N -0.718 122.122 122.820 0.033 0.000 2.567 664 A HA 0.585 4.914 4.320 0.015 0.000 0.291 664 A C -1.023 176.409 177.584 -0.254 0.000 1.048 664 A CA 0.199 52.232 52.037 -0.007 0.000 0.661 664 A CB 1.358 20.468 19.000 0.183 0.000 1.288 664 A HN 0.099 nan 8.150 nan 0.000 0.424 665 S N -0.881 114.434 115.700 -0.641 0.000 2.615 665 S HA 0.937 5.416 4.470 0.015 0.000 0.268 665 S C -0.272 173.477 174.600 -1.417 0.000 1.146 665 S CA 0.146 57.575 58.200 -1.285 0.000 0.818 665 S CB 0.866 63.706 63.200 -0.601 0.000 1.111 665 S HN 2.700 nan 8.310 nan 0.000 0.465 666 G N 0.012 107.758 108.800 -1.757 0.000 2.548 666 G HA2 0.691 4.660 3.960 0.015 0.000 0.301 666 G HA3 0.691 4.660 3.960 0.015 0.000 0.301 666 G C -2.236 172.434 174.900 -0.382 0.000 1.349 666 G CA -0.630 44.038 45.100 -0.721 0.000 0.792 666 G HN 1.102 nan 8.290 nan 0.000 0.481 667 E N -1.876 118.337 120.200 0.020 0.000 2.356 667 E HA 0.691 5.050 4.350 0.015 0.000 0.275 667 E C -1.603 175.055 176.600 0.095 0.000 0.904 667 E CA -1.213 55.205 56.400 0.030 0.000 0.757 667 E CB 3.081 32.697 29.700 -0.139 0.000 1.232 667 E HN 1.021 nan 8.360 nan 0.000 0.442 668 V N 1.505 121.447 119.914 0.047 0.000 2.817 668 V HA 0.480 4.609 4.120 0.015 0.000 0.303 668 V C -2.869 173.226 176.094 0.001 0.000 1.151 668 V CA -2.050 60.283 62.300 0.054 0.000 0.929 668 V CB 2.322 34.208 31.823 0.105 0.000 1.030 668 V HN 0.631 nan 8.190 nan 0.000 0.427 669 P HA 0.349 nan 4.420 nan 0.000 0.274 669 P C -0.796 176.508 177.300 0.007 0.000 1.231 669 P CA -0.115 62.982 63.100 -0.004 0.000 0.790 669 P CB 0.684 32.392 31.700 0.014 0.000 0.951 670 L N 2.433 123.649 121.223 -0.012 0.000 2.289 670 L HA 0.330 4.679 4.340 0.015 0.000 0.285 670 L C 0.366 177.252 176.870 0.026 0.000 1.049 670 L CA 0.037 54.862 54.840 -0.024 0.000 0.804 670 L CB 0.851 42.832 42.059 -0.131 0.000 1.195 670 L HN 0.337 nan 8.230 nan 0.000 0.428 671 D N 3.427 123.856 120.400 0.049 0.000 2.468 671 D HA 0.258 4.907 4.640 0.015 0.000 0.272 671 D C -1.364 174.959 176.300 0.038 0.000 1.221 671 D CA -0.086 54.001 54.000 0.145 0.000 0.860 671 D CB 1.245 42.151 40.800 0.177 0.000 1.190 671 D HN 0.120 nan 8.370 nan 0.000 0.509 672 V N 1.653 121.438 119.914 -0.215 0.000 2.540 672 V HA 0.884 5.013 4.120 0.015 0.000 0.302 672 V C -0.120 175.704 176.094 -0.450 0.000 1.035 672 V CA -0.459 61.733 62.300 -0.181 0.000 0.873 672 V CB 1.382 33.213 31.823 0.014 0.000 0.992 672 V HN 0.493 nan 8.190 nan 0.000 0.428 673 A N 8.553 131.274 122.820 -0.164 0.000 2.346 673 A HA 0.683 5.012 4.320 0.015 0.000 0.252 673 A C -2.388 175.187 177.584 -0.016 0.000 1.089 673 A CA -1.293 50.727 52.037 -0.029 0.000 0.797 673 A CB -0.138 18.930 19.000 0.114 0.000 1.047 673 A HN 0.797 nan 8.150 nan 0.000 0.494 674 P HA 0.021 nan 4.420 nan 0.000 0.264 674 P C -0.563 176.727 177.300 -0.017 0.000 1.193 674 P CA 0.554 63.661 63.100 0.011 0.000 0.763 674 P CB 0.778 32.471 31.700 -0.012 0.000 0.810 675 Q N -0.899 118.880 119.800 -0.034 0.000 2.362 675 Q HA -0.163 4.186 4.340 0.015 0.000 0.220 675 Q C 0.794 176.786 176.000 -0.015 0.000 0.713 675 Q CA 1.788 57.565 55.803 -0.044 0.000 1.345 675 Q CB -2.520 26.187 28.738 -0.051 0.000 1.570 675 Q HN 0.778 nan 8.270 nan 0.000 0.701 676 G N 0.227 109.030 108.800 0.006 0.000 2.543 676 G HA2 0.538 4.507 3.960 0.015 0.000 0.290 676 G HA3 0.538 4.507 3.960 0.015 0.000 0.290 676 G C -0.282 174.635 174.900 0.028 0.000 1.310 676 G CA -0.441 44.671 45.100 0.019 0.000 1.025 676 G HN 0.001 nan 8.290 nan 0.000 0.502 677 K N -0.982 119.438 120.400 0.033 0.000 2.435 677 K HA 0.508 4.837 4.320 0.015 0.000 0.251 677 K C -0.893 175.733 176.600 0.044 0.000 0.954 677 K CA -0.586 55.725 56.287 0.039 0.000 0.820 677 K CB 2.498 35.016 32.500 0.030 0.000 1.292 677 K HN 0.534 nan 8.250 nan 0.000 0.436 678 Q N 2.721 122.551 119.800 0.050 0.000 2.315 678 Q HA 0.406 4.755 4.340 0.015 0.000 0.273 678 Q C -1.730 174.298 176.000 0.046 0.000 1.053 678 Q CA -0.683 55.148 55.803 0.047 0.000 0.817 678 Q CB 1.376 30.144 28.738 0.050 0.000 1.326 678 Q HN 0.510 nan 8.270 nan 0.000 0.423 679 L N 4.826 126.067 121.223 0.028 0.000 2.282 679 L HA 0.578 4.927 4.340 0.015 0.000 0.288 679 L C -0.645 176.225 176.870 -0.000 0.000 1.033 679 L CA -0.733 54.114 54.840 0.011 0.000 0.807 679 L CB 1.312 43.369 42.059 -0.003 0.000 1.209 679 L HN 0.593 nan 8.230 nan 0.000 0.423 680 I N 3.346 123.905 120.570 -0.018 0.000 2.410 680 I HA 0.193 4.372 4.170 0.015 0.000 0.286 680 I C -0.350 175.705 176.117 -0.104 0.000 1.009 680 I CA -0.469 60.806 61.300 -0.043 0.000 1.111 680 I CB 1.796 39.781 38.000 -0.027 0.000 1.262 680 I HN 0.519 nan 8.210 nan 0.000 0.443 681 E N 7.468 127.606 120.200 -0.104 0.000 2.130 681 E HA 0.311 4.670 4.350 0.015 0.000 0.284 681 E C -0.367 176.114 176.600 -0.198 0.000 1.018 681 E CA -0.551 55.767 56.400 -0.137 0.000 0.817 681 E CB 1.576 31.221 29.700 -0.091 0.000 1.078 681 E HN 0.504 nan 8.360 nan 0.000 0.396 682 L N 4.754 125.797 121.223 -0.301 0.000 2.485 682 L HA 0.096 4.445 4.340 0.015 0.000 0.275 682 L C -1.724 174.971 176.870 -0.292 0.000 1.207 682 L CA -1.283 53.275 54.840 -0.470 0.000 0.855 682 L CB 0.206 41.903 42.059 -0.603 0.000 1.114 682 L HN 0.210 nan 8.230 nan 0.000 0.485 683 P HA -0.023 nan 4.420 nan 0.000 0.271 683 P C -0.576 176.683 177.300 -0.069 0.000 1.244 683 P CA -0.341 62.719 63.100 -0.068 0.000 0.793 683 P CB 0.414 32.154 31.700 0.067 0.000 0.984 684 E N 0.961 121.147 120.200 -0.023 0.000 2.376 684 E HA 0.083 4.442 4.350 0.015 0.000 0.266 684 E C -0.550 176.059 176.600 0.015 0.000 1.009 684 E CA -0.108 56.281 56.400 -0.018 0.000 0.902 684 E CB 0.171 29.866 29.700 -0.009 0.000 0.972 684 E HN 0.221 nan 8.360 nan 0.000 0.439 685 L N 5.616 126.845 121.223 0.009 0.000 2.657 685 L HA 0.482 4.831 4.340 0.015 0.000 0.240 685 L C -1.807 175.088 176.870 0.043 0.000 1.151 685 L CA -1.504 53.364 54.840 0.047 0.000 0.831 685 L CB 0.518 42.612 42.059 0.059 0.000 1.539 685 L HN 0.598 nan 8.230 nan 0.000 0.511 686 P HA 0.286 nan 4.420 nan 0.000 0.287 686 P C -2.048 175.271 177.300 0.032 0.000 1.292 686 P CA -0.740 62.384 63.100 0.041 0.000 0.879 686 P CB 1.310 33.038 31.700 0.046 0.000 1.214 687 Q N 1.142 120.957 119.800 0.024 0.000 2.462 687 Q HA 0.376 4.725 4.340 0.015 0.000 0.247 687 Q C -2.237 173.775 176.000 0.021 0.000 1.044 687 Q CA -1.639 54.176 55.803 0.019 0.000 0.803 687 Q CB 0.986 29.731 28.738 0.012 0.000 1.190 687 Q HN 0.369 nan 8.270 nan 0.000 0.507 688 P HA 0.291 nan 4.420 nan 0.000 0.298 688 P C -0.448 176.865 177.300 0.022 0.000 1.365 688 P CA -0.480 62.635 63.100 0.025 0.000 0.835 688 P CB 1.045 32.765 31.700 0.033 0.000 0.948 689 E N 0.214 120.426 120.200 0.019 0.000 2.502 689 E HA 0.010 4.369 4.350 0.015 0.000 0.194 689 E C 0.771 177.383 176.600 0.020 0.000 1.062 689 E CA -0.038 56.372 56.400 0.017 0.000 0.867 689 E CB -0.062 29.646 29.700 0.013 0.000 0.888 689 E HN 0.307 nan 8.360 nan 0.000 0.510 690 S N 1.263 116.978 115.700 0.024 0.000 2.498 690 S HA 0.338 4.817 4.470 0.015 0.000 0.281 690 S C 0.464 175.084 174.600 0.034 0.000 1.265 690 S CA -0.449 57.769 58.200 0.029 0.000 1.071 690 S CB 0.146 63.364 63.200 0.030 0.000 0.894 690 S HN 0.338 nan 8.310 nan 0.000 0.491 691 A N 4.272 127.113 122.820 0.035 0.000 2.492 691 A HA 0.604 4.933 4.320 0.015 0.000 0.236 691 A C 1.048 178.662 177.584 0.051 0.000 1.078 691 A CA 0.417 52.477 52.037 0.039 0.000 0.773 691 A CB -0.689 18.335 19.000 0.040 0.000 1.023 691 A HN 2.033 nan 8.150 nan 0.000 0.504 692 G N -0.601 108.230 108.800 0.051 0.000 2.351 692 G HA2 0.464 4.433 3.960 0.015 0.000 0.353 692 G HA3 0.464 4.433 3.960 0.015 0.000 0.353 692 G C -1.110 173.822 174.900 0.053 0.000 1.358 692 G CA -0.120 45.024 45.100 0.072 0.000 0.995 692 G HN 1.254 nan 8.290 nan 0.000 0.611 693 Q N -0.262 119.584 119.800 0.077 0.000 2.307 693 Q HA 0.741 5.090 4.340 0.015 0.000 0.262 693 Q C -0.355 175.681 176.000 0.060 0.000 0.961 693 Q CA -0.613 55.186 55.803 -0.007 0.000 0.882 693 Q CB 1.339 30.037 28.738 -0.066 0.000 1.264 693 Q HN 0.601 nan 8.270 nan 0.000 0.446 694 L N 4.107 125.319 121.223 -0.019 0.000 2.350 694 L HA 0.492 4.841 4.340 0.015 0.000 0.275 694 L C -0.829 176.051 176.870 0.016 0.000 1.099 694 L CA -0.371 54.510 54.840 0.068 0.000 0.808 694 L CB 0.731 42.811 42.059 0.036 0.000 1.149 694 L HN 0.707 nan 8.230 nan 0.000 0.442 695 W N 3.811 125.168 121.300 0.095 0.000 2.915 695 W HA 0.487 5.155 4.660 0.015 0.000 0.337 695 W C -0.929 175.696 176.519 0.177 0.000 1.102 695 W CA -0.522 56.901 57.345 0.130 0.000 1.224 695 W CB 1.708 31.260 29.460 0.154 0.000 1.416 695 W HN 0.091 nan 8.180 nan 0.000 0.503 696 L N 3.101 124.600 121.223 0.461 0.000 2.296 696 L HA 0.770 5.119 4.340 0.015 0.000 0.286 696 L C -0.341 176.834 176.870 0.508 0.000 1.023 696 L CA 0.152 55.255 54.840 0.438 0.000 0.812 696 L CB 1.263 43.542 42.059 0.366 0.000 1.223 696 L HN 0.332 nan 8.230 nan 0.000 0.421 697 T N 5.132 119.933 114.554 0.411 0.000 2.824 697 T HA 0.666 5.025 4.350 0.015 0.000 0.282 697 T C -0.691 174.209 174.700 0.333 0.000 0.993 697 T CA -0.434 61.868 62.100 0.336 0.000 0.967 697 T CB 1.517 70.517 68.868 0.219 0.000 0.960 697 T HN 0.620 nan 8.240 nan 0.000 0.441 698 V N 1.647 121.733 119.914 0.286 0.000 2.769 698 V HA 0.867 4.996 4.120 0.015 0.000 0.312 698 V C -0.851 175.353 176.094 0.183 0.000 1.061 698 V CA -1.181 61.254 62.300 0.226 0.000 0.931 698 V CB 1.931 33.831 31.823 0.129 0.000 1.010 698 V HN 0.841 nan 8.190 nan 0.000 0.433 699 R N 2.180 122.817 120.500 0.228 0.000 2.651 699 R HA 0.769 5.118 4.340 0.015 0.000 0.278 699 R C -1.694 174.776 176.300 0.283 0.000 1.010 699 R CA -0.760 55.512 56.100 0.287 0.000 0.896 699 R CB 2.693 33.135 30.300 0.236 0.000 1.211 699 R HN 0.671 nan 8.270 nan 0.000 0.456 700 V N 3.317 123.422 119.914 0.319 0.000 2.370 700 V HA 0.394 4.522 4.120 0.015 0.000 0.279 700 V C -0.272 175.960 176.094 0.230 0.000 1.029 700 V CA -0.637 61.802 62.300 0.231 0.000 0.870 700 V CB 1.610 33.551 31.823 0.196 0.000 0.984 700 V HN 0.440 nan 8.190 nan 0.000 0.451 701 V N 5.007 125.032 119.914 0.185 0.000 2.555 701 V HA 0.427 4.556 4.120 0.015 0.000 0.302 701 V C -0.275 175.908 176.094 0.147 0.000 1.038 701 V CA -0.777 61.635 62.300 0.188 0.000 0.887 701 V CB 1.927 33.921 31.823 0.284 0.000 0.991 701 V HN 0.883 nan 8.190 nan 0.000 0.434 702 Q N 5.370 125.268 119.800 0.163 0.000 2.390 702 Q HA 0.283 4.632 4.340 0.015 0.000 0.249 702 Q C -1.774 174.279 176.000 0.088 0.000 0.996 702 Q CA -1.793 54.089 55.803 0.132 0.000 0.899 702 Q CB 2.026 30.858 28.738 0.157 0.000 1.216 702 Q HN 0.482 nan 8.270 nan 0.000 0.465 703 P HA -0.137 nan 4.420 nan 0.000 0.219 703 P C -0.535 176.779 177.300 0.022 0.000 1.150 703 P CA 1.025 64.155 63.100 0.050 0.000 0.814 703 P CB 0.401 32.126 31.700 0.042 0.000 0.787 704 N N -0.467 118.235 118.700 0.004 0.000 2.456 704 N HA 0.452 5.201 4.740 0.015 0.000 0.296 704 N C -0.273 175.195 175.510 -0.070 0.000 1.102 704 N CA -0.700 52.335 53.050 -0.024 0.000 0.924 704 N CB 1.078 39.551 38.487 -0.023 0.000 1.186 704 N HN -0.057 nan 8.380 nan 0.000 0.492 705 A N 0.749 123.520 122.820 -0.082 0.000 2.406 705 A HA 0.491 4.820 4.320 0.015 0.000 0.243 705 A C 0.543 178.012 177.584 -0.191 0.000 1.082 705 A CA -0.014 51.938 52.037 -0.141 0.000 0.786 705 A CB 0.032 18.974 19.000 -0.097 0.000 1.029 705 A HN 0.714 nan 8.150 nan 0.000 0.495 706 T N -3.319 111.041 114.554 -0.324 0.000 2.742 706 T HA 0.625 4.984 4.350 0.015 0.000 0.282 706 T C 0.859 175.400 174.700 -0.265 0.000 1.025 706 T CA 0.041 61.931 62.100 -0.350 0.000 1.020 706 T CB 1.122 69.548 68.868 -0.736 0.000 1.317 706 T HN 1.387 nan 8.240 nan 0.000 0.538 707 A N -0.089 122.665 122.820 -0.111 0.000 2.121 707 A HA 0.132 4.461 4.320 0.015 0.000 0.218 707 A C 1.505 179.233 177.584 0.241 0.000 1.154 707 A CA 0.908 52.985 52.037 0.067 0.000 0.679 707 A CB -0.854 18.216 19.000 0.116 0.000 0.795 707 A HN 0.904 nan 8.150 nan 0.000 0.458 708 W N -0.739 120.631 121.300 0.118 0.000 2.702 708 W HA 0.434 5.104 4.660 0.016 0.000 0.369 708 W C -0.285 176.207 176.519 -0.045 0.000 0.987 708 W CA 0.400 57.786 57.345 0.069 0.000 1.702 708 W CB -1.049 28.437 29.460 0.043 0.000 1.138 708 W HN 0.383 nan 8.180 nan 0.000 0.552 709 S N -0.124 115.167 115.700 -0.682 0.000 2.550 709 S HA 0.459 4.938 4.470 0.015 0.000 0.270 709 S C -0.894 173.483 174.600 -0.372 0.000 1.145 709 S CA -0.731 57.076 58.200 -0.655 0.000 0.852 709 S CB 2.771 65.174 63.200 -1.328 0.000 1.119 709 S HN 0.121 nan 8.310 nan 0.000 0.465 710 E N 0.577 120.673 120.200 -0.173 0.000 2.314 710 E HA 0.582 4.940 4.350 0.015 0.000 0.262 710 E C 0.239 176.811 176.600 -0.046 0.000 1.093 710 E CA -0.876 55.478 56.400 -0.077 0.000 0.908 710 E CB 1.163 30.863 29.700 0.000 0.000 1.091 710 E HN 0.877 nan 8.360 nan 0.000 0.425 711 A N 0.452 123.255 122.820 -0.028 0.000 2.540 711 A HA 0.368 4.697 4.320 0.015 0.000 0.239 711 A C 1.122 178.730 177.584 0.040 0.000 1.061 711 A CA 0.847 52.883 52.037 -0.001 0.000 0.758 711 A CB -0.502 18.497 19.000 -0.002 0.000 0.991 711 A HN 0.802 nan 8.150 nan 0.000 0.502 712 G N 0.692 109.532 108.800 0.066 0.000 2.175 712 G HA2 -0.251 3.718 3.960 0.015 0.000 0.244 712 G HA3 -0.251 3.718 3.960 0.015 0.000 0.244 712 G C 0.280 175.245 174.900 0.108 0.000 0.982 712 G CA 0.674 45.823 45.100 0.081 0.000 0.641 712 G HN 1.789 nan 8.290 nan 0.000 0.527 713 H N 0.786 119.879 119.070 0.038 0.000 3.094 713 H HA 0.392 4.957 4.556 0.015 0.000 0.320 713 H C 0.706 176.124 175.328 0.149 0.000 1.000 713 H CA 0.480 56.573 56.048 0.076 0.000 1.413 713 H CB 0.128 29.908 29.762 0.030 0.000 1.405 713 H HN 0.319 nan 8.280 nan 0.000 0.586 714 I N 4.750 125.067 120.570 -0.421 0.000 2.315 714 I HA 0.035 4.214 4.170 0.015 0.000 0.291 714 I C 0.902 176.847 176.117 -0.287 0.000 1.006 714 I CA 0.088 61.280 61.300 -0.179 0.000 1.265 714 I CB 1.412 39.382 38.000 -0.050 0.000 1.387 714 I HN 0.792 nan 8.210 nan 0.000 0.475 715 S N 4.291 120.057 115.700 0.111 0.000 2.512 715 S HA 0.552 5.031 4.470 0.015 0.000 0.216 715 S C 0.420 175.294 174.600 0.456 0.000 1.006 715 S CA -0.040 58.377 58.200 0.362 0.000 0.915 715 S CB 0.587 64.116 63.200 0.548 0.000 0.824 715 S HN 0.687 nan 8.310 nan 0.000 0.497 716 A N 0.508 123.635 122.820 0.513 0.000 2.605 716 A HA 0.675 5.004 4.320 0.015 0.000 0.294 716 A C -1.735 176.245 177.584 0.660 0.000 1.062 716 A CA -0.904 51.424 52.037 0.485 0.000 0.682 716 A CB 0.452 19.781 19.000 0.549 0.000 1.278 716 A HN 0.924 nan 8.150 nan 0.000 0.410 717 W N -0.066 121.439 121.300 0.342 0.000 3.025 717 W HA 0.819 5.488 4.660 0.016 0.000 0.343 717 W C -1.173 175.436 176.519 0.150 0.000 1.246 717 W CA -0.655 56.794 57.345 0.174 0.000 1.178 717 W CB 1.244 30.766 29.460 0.102 0.000 1.463 717 W HN 1.038 nan 8.180 nan 0.000 0.578 718 Q N 1.005 120.883 119.800 0.132 0.000 2.594 718 Q HA 0.389 4.738 4.340 0.015 0.000 0.278 718 Q C -1.706 174.138 176.000 -0.259 0.000 0.961 718 Q CA -0.436 55.269 55.803 -0.162 0.000 0.844 718 Q CB 2.171 30.594 28.738 -0.524 0.000 1.475 718 Q HN 0.646 nan 8.270 nan 0.000 0.389 719 Q N 1.417 121.007 119.800 -0.350 0.000 2.423 719 Q HA 0.674 5.023 4.340 0.015 0.000 0.278 719 Q C -1.061 174.814 176.000 -0.209 0.000 1.097 719 Q CA -0.735 55.043 55.803 -0.042 0.000 0.809 719 Q CB 2.557 31.477 28.738 0.303 0.000 1.391 719 Q HN 0.583 nan 8.270 nan 0.000 0.428 720 W N 0.749 122.213 121.300 0.272 0.000 3.033 720 W HA 0.455 5.124 4.660 0.014 0.000 0.336 720 W C -0.380 176.085 176.519 -0.089 0.000 1.173 720 W CA -0.673 56.736 57.345 0.107 0.000 1.185 720 W CB 1.840 31.322 29.460 0.036 0.000 1.425 720 W HN 0.427 nan 8.180 nan 0.000 0.536 721 R N 1.621 122.009 120.500 -0.187 0.000 2.390 721 R HA 0.483 4.832 4.340 0.015 0.000 0.291 721 R C 0.444 176.604 176.300 -0.234 0.000 1.070 721 R CA -0.202 55.518 56.100 -0.635 0.000 1.014 721 R CB 1.105 30.957 30.300 -0.747 0.000 1.007 721 R HN 0.287 nan 8.270 nan 0.000 0.466 722 L N 1.211 122.306 121.223 -0.213 0.000 2.884 722 L HA 0.544 4.893 4.340 0.015 0.000 0.199 722 L C 0.598 177.391 176.870 -0.128 0.000 1.828 722 L CA -1.123 53.650 54.840 -0.112 0.000 2.124 722 L CB -0.050 41.981 42.059 -0.047 0.000 2.736 722 L HN 0.590 nan 8.230 nan 0.000 0.592 723 A N 0.285 123.056 122.820 -0.082 0.000 2.466 723 A HA 0.193 4.522 4.320 0.015 0.000 0.238 723 A C -0.277 177.261 177.584 -0.077 0.000 1.074 723 A CA 0.244 52.239 52.037 -0.070 0.000 0.774 723 A CB 0.093 19.069 19.000 -0.041 0.000 1.015 723 A HN 0.637 nan 8.150 nan 0.000 0.498 724 E N 0.807 120.966 120.200 -0.068 0.000 2.238 724 E HA 0.364 4.723 4.350 0.015 0.000 0.267 724 E C -1.428 175.157 176.600 -0.025 0.000 0.887 724 E CA -0.757 55.609 56.400 -0.057 0.000 0.769 724 E CB 0.946 30.602 29.700 -0.074 0.000 1.187 724 E HN 0.678 nan 8.360 nan 0.000 0.416 725 N N 4.720 123.416 118.700 -0.006 0.000 2.569 725 N HA 0.264 5.013 4.740 0.015 0.000 0.254 725 N C -0.672 174.846 175.510 0.014 0.000 1.004 725 N CA -0.359 52.694 53.050 0.005 0.000 0.904 725 N CB 1.140 39.635 38.487 0.013 0.000 1.165 725 N HN 0.475 nan 8.380 nan 0.000 0.513 726 L N 0.843 122.073 121.223 0.012 0.000 2.453 726 L HA 0.080 4.429 4.340 0.015 0.000 0.272 726 L C 1.312 178.198 176.870 0.026 0.000 1.182 726 L CA 0.151 55.004 54.840 0.021 0.000 0.858 726 L CB 0.443 42.514 42.059 0.019 0.000 1.120 726 L HN 0.378 nan 8.230 nan 0.000 0.474 727 S N 2.101 117.822 115.700 0.035 0.000 2.505 727 S HA 0.234 4.713 4.470 0.015 0.000 0.276 727 S C 0.574 175.193 174.600 0.032 0.000 1.274 727 S CA -0.752 57.469 58.200 0.036 0.000 1.053 727 S CB 0.860 64.087 63.200 0.045 0.000 0.919 727 S HN 0.474 nan 8.310 nan 0.000 0.490 728 V N 2.235 122.165 119.914 0.027 0.000 3.380 728 V HA 0.349 4.477 4.120 0.015 0.000 0.307 728 V C 0.654 176.762 176.094 0.023 0.000 1.434 728 V CA 0.185 62.499 62.300 0.024 0.000 1.075 728 V CB -0.648 31.186 31.823 0.018 0.000 0.954 728 V HN 0.869 nan 8.190 nan 0.000 0.444 729 T N 0.770 115.339 114.554 0.025 0.000 2.856 729 T HA 0.695 5.054 4.350 0.015 0.000 0.292 729 T C -0.324 174.390 174.700 0.025 0.000 0.980 729 T CA -0.397 61.717 62.100 0.023 0.000 1.091 729 T CB 1.402 70.283 68.868 0.023 0.000 0.936 729 T HN 0.251 nan 8.240 nan 0.000 0.503 730 L N 4.611 125.846 121.223 0.019 0.000 2.349 730 L HA 0.425 4.774 4.340 0.015 0.000 0.275 730 L C -1.453 175.428 176.870 0.017 0.000 1.115 730 L CA -1.639 53.211 54.840 0.017 0.000 0.820 730 L CB -0.528 41.537 42.059 0.010 0.000 1.135 730 L HN 0.595 nan 8.230 nan 0.000 0.445 731 P HA 0.207 nan 4.420 nan 0.000 0.269 731 P C -0.550 176.754 177.300 0.007 0.000 1.215 731 P CA -0.614 62.501 63.100 0.025 0.000 0.780 731 P CB 0.526 32.247 31.700 0.035 0.000 0.898 732 A N 1.874 124.702 122.820 0.012 0.000 2.561 732 A HA 0.357 4.686 4.320 0.015 0.000 0.234 732 A C 0.851 178.381 177.584 -0.090 0.000 1.055 732 A CA 0.178 52.208 52.037 -0.011 0.000 0.756 732 A CB -0.747 18.272 19.000 0.032 0.000 0.986 732 A HN 0.760 nan 8.150 nan 0.000 0.505 733 A N 2.980 125.723 122.820 -0.128 0.000 2.584 733 A HA 0.310 4.639 4.320 0.015 0.000 0.239 733 A C 0.987 178.284 177.584 -0.479 0.000 1.043 733 A CA 0.687 52.601 52.037 -0.205 0.000 0.756 733 A CB -0.228 18.692 19.000 -0.134 0.000 0.963 733 A HN 1.235 nan 8.150 nan 0.000 0.511 734 S N 1.821 117.320 115.700 -0.335 0.000 2.519 734 S HA 0.163 4.642 4.470 0.015 0.000 0.320 734 S C 1.137 175.573 174.600 -0.274 0.000 1.179 734 S CA -0.210 57.797 58.200 -0.321 0.000 1.173 734 S CB -0.539 62.602 63.200 -0.099 0.000 1.224 734 S HN 0.800 nan 8.310 nan 0.000 0.542 735 H N 2.872 121.954 119.070 0.021 0.000 2.289 735 H HA 0.059 4.624 4.556 0.015 0.000 0.296 735 H C 1.190 176.529 175.328 0.019 0.000 1.091 735 H CA 1.452 57.511 56.048 0.018 0.000 1.274 735 H CB -0.279 29.494 29.762 0.018 0.000 1.364 735 H HN 0.607 nan 8.280 nan 0.000 0.490 736 A N 0.770 123.707 122.820 0.195 0.000 2.468 736 A HA 0.698 5.027 4.320 0.015 0.000 0.277 736 A C -0.462 177.176 177.584 0.089 0.000 1.203 736 A CA -0.443 51.665 52.037 0.118 0.000 0.932 736 A CB 0.907 19.975 19.000 0.114 0.000 1.438 736 A HN 0.409 nan 8.150 nan 0.000 0.468 737 I N -0.976 119.646 120.570 0.087 0.000 2.571 737 I HA 0.592 4.771 4.170 0.015 0.000 0.289 737 I C -3.108 173.088 176.117 0.131 0.000 1.115 737 I CA -2.339 59.017 61.300 0.093 0.000 1.045 737 I CB 2.521 40.573 38.000 0.088 0.000 1.238 737 I HN 0.272 nan 8.210 nan 0.000 0.424 738 P HA 0.324 nan 4.420 nan 0.000 0.274 738 P C -1.330 176.126 177.300 0.261 0.000 1.231 738 P CA 0.127 63.316 63.100 0.148 0.000 0.790 738 P CB 0.420 32.168 31.700 0.080 0.000 0.951 739 H N 0.588 119.694 119.070 0.059 0.000 2.457 739 H HA 0.379 4.944 4.556 0.015 0.000 0.335 739 H C -0.569 174.789 175.328 0.051 0.000 1.115 739 H CA -0.995 55.078 56.048 0.041 0.000 1.219 739 H CB 1.606 31.392 29.762 0.041 0.000 1.471 739 H HN 0.258 nan 8.280 nan 0.000 0.491 740 L N 2.724 123.996 121.223 0.082 0.000 2.289 740 L HA 0.283 4.632 4.340 0.015 0.000 0.285 740 L C -0.394 176.519 176.870 0.072 0.000 1.049 740 L CA 0.053 54.928 54.840 0.059 0.000 0.804 740 L CB 1.436 43.475 42.059 -0.034 0.000 1.195 740 L HN 0.514 nan 8.230 nan 0.000 0.428 741 T N 3.681 118.311 114.554 0.126 0.000 2.812 741 T HA 0.522 4.881 4.350 0.015 0.000 0.282 741 T C -0.473 174.334 174.700 0.178 0.000 0.990 741 T CA -0.330 61.842 62.100 0.119 0.000 0.960 741 T CB 1.125 70.055 68.868 0.104 0.000 0.948 741 T HN 0.704 nan 8.240 nan 0.000 0.438 742 T N 2.874 117.528 114.554 0.166 0.000 2.888 742 T HA 0.754 5.113 4.350 0.015 0.000 0.284 742 T C -0.126 174.629 174.700 0.092 0.000 1.017 742 T CA -0.722 61.510 62.100 0.220 0.000 1.022 742 T CB 1.349 70.367 68.868 0.249 0.000 1.013 742 T HN 0.700 nan 8.240 nan 0.000 0.465 743 S N 0.715 116.425 115.700 0.017 0.000 2.661 743 S HA 0.448 4.927 4.470 0.015 0.000 0.285 743 S C 0.832 175.378 174.600 -0.090 0.000 1.138 743 S CA -0.893 57.294 58.200 -0.021 0.000 0.855 743 S CB 1.804 64.998 63.200 -0.010 0.000 1.136 743 S HN 0.735 nan 8.310 nan 0.000 0.484 744 E N -0.406 119.752 120.200 -0.070 0.000 2.153 744 E HA -0.173 4.186 4.350 0.015 0.000 0.194 744 E C 1.527 178.041 176.600 -0.144 0.000 0.988 744 E CA 1.296 57.638 56.400 -0.098 0.000 0.811 744 E CB -0.126 29.540 29.700 -0.056 0.000 0.746 744 E HN 0.638 nan 8.360 nan 0.000 0.466 745 M N 0.413 119.948 119.600 -0.108 0.000 2.435 745 M HA 0.084 4.573 4.480 0.015 0.000 0.265 745 M C -0.516 175.715 176.300 -0.115 0.000 1.104 745 M CA 0.858 56.103 55.300 -0.092 0.000 1.140 745 M CB 0.741 33.319 32.600 -0.037 0.000 1.372 745 M HN -0.156 nan 8.290 nan 0.000 0.456 746 D N -1.520 118.796 120.400 -0.139 0.000 2.602 746 D HA 0.272 4.921 4.640 0.015 0.000 0.236 746 D C -1.481 174.744 176.300 -0.125 0.000 1.209 746 D CA -0.330 53.610 54.000 -0.100 0.000 0.831 746 D CB 1.440 42.272 40.800 0.053 0.000 1.478 746 D HN -0.006 nan 8.370 nan 0.000 0.438 747 F N 0.985 121.019 119.950 0.141 0.000 2.402 747 F HA 0.354 4.890 4.527 0.015 0.000 0.355 747 F C 0.084 176.023 175.800 0.233 0.000 1.123 747 F CA -0.777 57.306 58.000 0.137 0.000 1.021 747 F CB 1.228 40.266 39.000 0.064 0.000 1.160 747 F HN 0.056 nan 8.300 nan 0.000 0.451 748 C N 4.723 124.243 119.300 0.367 0.000 2.382 748 C HA 0.749 5.218 4.460 0.015 0.000 0.327 748 C C -0.293 174.873 174.990 0.293 0.000 1.250 748 C CA -0.804 58.403 59.018 0.315 0.000 1.707 748 C CB 0.603 28.458 27.740 0.192 0.000 2.272 748 C HN 0.514 nan 8.230 nan 0.000 0.506 749 I N 2.333 123.124 120.570 0.368 0.000 2.545 749 I HA 0.513 4.692 4.170 0.015 0.000 0.292 749 I C -0.124 176.250 176.117 0.430 0.000 1.040 749 I CA -0.332 61.173 61.300 0.341 0.000 1.068 749 I CB 1.447 39.633 38.000 0.310 0.000 1.251 749 I HN 0.661 nan 8.210 nan 0.000 0.424 750 E N 5.245 125.633 120.200 0.314 0.000 2.266 750 E HA 0.761 5.120 4.350 0.015 0.000 0.268 750 E C -1.856 174.889 176.600 0.242 0.000 0.879 750 E CA -0.837 55.715 56.400 0.254 0.000 0.762 750 E CB 2.355 32.112 29.700 0.095 0.000 1.199 750 E HN 0.545 nan 8.360 nan 0.000 0.422 751 L N 4.699 126.081 121.223 0.265 0.000 2.541 751 L HA 0.512 4.861 4.340 0.015 0.000 0.266 751 L C 0.181 177.111 176.870 0.100 0.000 0.966 751 L CA 0.546 55.509 54.840 0.205 0.000 0.871 751 L CB 1.318 43.564 42.059 0.311 0.000 1.232 751 L HN 0.814 nan 8.230 nan 0.000 0.408 752 G N 4.271 113.083 108.800 0.019 0.000 2.611 752 G HA2 -0.433 3.536 3.960 0.015 0.000 0.301 752 G HA3 -0.433 3.536 3.960 0.015 0.000 0.301 752 G C 0.490 175.367 174.900 -0.039 0.000 1.233 752 G CA 0.650 45.741 45.100 -0.016 0.000 0.993 752 G HN 1.234 nan 8.290 nan 0.000 0.553 753 N N 1.419 120.089 118.700 -0.050 0.000 2.362 753 N HA 0.130 4.878 4.740 0.015 0.000 0.204 753 N C 0.257 175.703 175.510 -0.107 0.000 1.166 753 N CA 0.669 53.674 53.050 -0.075 0.000 0.831 753 N CB 0.185 38.632 38.487 -0.067 0.000 1.008 753 N HN 0.738 nan 8.380 nan 0.000 0.472 754 K N 0.764 121.092 120.400 -0.120 0.000 2.164 754 K HA 0.483 4.812 4.320 0.015 0.000 0.258 754 K C -0.212 176.203 176.600 -0.308 0.000 0.951 754 K CA -0.690 55.415 56.287 -0.302 0.000 0.844 754 K CB 1.806 34.050 32.500 -0.428 0.000 1.099 754 K HN 0.131 nan 8.250 nan 0.000 0.435 755 R N 2.129 122.371 120.500 -0.430 0.000 2.673 755 R HA 0.449 4.798 4.340 0.015 0.000 0.281 755 R C -1.133 175.087 176.300 -0.134 0.000 0.991 755 R CA -0.941 55.093 56.100 -0.111 0.000 0.896 755 R CB 1.763 32.002 30.300 -0.101 0.000 1.201 755 R HN 0.557 nan 8.270 nan 0.000 0.457 756 W N 1.790 123.223 121.300 0.222 0.000 2.883 756 W HA 0.344 5.013 4.660 0.015 0.000 0.335 756 W C -0.480 176.135 176.519 0.160 0.000 1.083 756 W CA -0.584 56.823 57.345 0.102 0.000 1.233 756 W CB 2.618 32.120 29.460 0.071 0.000 1.412 756 W HN 0.464 nan 8.180 nan 0.000 0.490 757 Q N 2.720 122.645 119.800 0.207 0.000 2.330 757 Q HA 0.436 4.785 4.340 0.015 0.000 0.269 757 Q C -1.910 174.028 176.000 -0.102 0.000 1.022 757 Q CA -0.502 55.418 55.803 0.195 0.000 0.796 757 Q CB 1.521 30.445 28.738 0.310 0.000 1.271 757 Q HN 0.368 nan 8.270 nan 0.000 0.450 758 F N 2.784 122.821 119.950 0.145 0.000 2.402 758 F HA 0.315 4.851 4.527 0.015 0.000 0.355 758 F C 0.581 176.409 175.800 0.046 0.000 1.123 758 F CA -0.854 57.195 58.000 0.080 0.000 1.021 758 F CB 1.279 40.325 39.000 0.077 0.000 1.160 758 F HN 0.466 nan 8.300 nan 0.000 0.451 759 N N 3.513 122.321 118.700 0.180 0.000 2.452 759 N HA 0.076 4.825 4.740 0.015 0.000 0.266 759 N C 0.789 176.312 175.510 0.022 0.000 1.175 759 N CA 0.056 53.158 53.050 0.086 0.000 0.945 759 N CB 0.736 39.281 38.487 0.097 0.000 1.063 759 N HN 0.695 nan 8.380 nan 0.000 0.472 760 R N 2.243 122.688 120.500 -0.092 0.000 2.299 760 R HA -0.041 4.308 4.340 0.015 0.000 0.197 760 R C 1.611 177.846 176.300 -0.108 0.000 0.971 760 R CA 0.458 56.456 56.100 -0.169 0.000 1.030 760 R CB 0.232 30.319 30.300 -0.355 0.000 0.932 760 R HN 0.675 nan 8.270 nan 0.000 0.477 761 Q N 0.334 120.100 119.800 -0.057 0.000 2.204 761 Q HA -0.053 4.296 4.340 0.015 0.000 0.198 761 Q C 1.777 177.764 176.000 -0.021 0.000 0.946 761 Q CA 1.467 57.248 55.803 -0.038 0.000 0.859 761 Q CB 0.337 29.070 28.738 -0.009 0.000 0.946 761 Q HN 0.272 nan 8.270 nan 0.000 0.474 762 S N -1.736 113.973 115.700 0.016 0.000 2.486 762 S HA 0.215 4.694 4.470 0.015 0.000 0.220 762 S C 1.431 175.952 174.600 -0.133 0.000 1.011 762 S CA 0.536 58.766 58.200 0.049 0.000 0.921 762 S CB 0.443 63.779 63.200 0.227 0.000 0.785 762 S HN 0.646 nan 8.310 nan 0.000 0.517 763 G N 0.530 109.263 108.800 -0.113 0.000 2.143 763 G HA2 -0.232 3.737 3.960 0.015 0.000 0.248 763 G HA3 -0.232 3.737 3.960 0.015 0.000 0.248 763 G C -0.121 174.680 174.900 -0.165 0.000 0.991 763 G CA 0.383 45.390 45.100 -0.156 0.000 0.689 763 G HN 0.542 nan 8.290 nan 0.000 0.522 764 F N -1.329 118.798 119.950 0.296 0.000 2.556 764 F HA 0.664 5.200 4.527 0.015 0.000 0.327 764 F C 0.526 176.374 175.800 0.080 0.000 1.059 764 F CA -1.488 56.657 58.000 0.242 0.000 0.953 764 F CB 1.377 40.474 39.000 0.163 0.000 1.227 764 F HN -0.004 nan 8.300 nan 0.000 0.478 765 L N 2.101 123.376 121.223 0.087 0.000 2.565 765 L HA 0.119 4.468 4.340 0.015 0.000 0.275 765 L C 1.014 177.778 176.870 -0.177 0.000 1.137 765 L CA 0.522 55.052 54.840 -0.517 0.000 0.915 765 L CB 0.206 41.970 42.059 -0.492 0.000 1.232 765 L HN 0.721 nan 8.230 nan 0.000 0.473 766 S N 2.625 118.218 115.700 -0.179 0.000 2.511 766 S HA 0.278 4.757 4.470 0.015 0.000 0.214 766 S C 0.517 174.996 174.600 -0.202 0.000 0.997 766 S CA -0.082 58.061 58.200 -0.095 0.000 0.908 766 S CB 0.165 63.362 63.200 -0.005 0.000 0.803 766 S HN 0.681 nan 8.310 nan 0.000 0.504 767 Q N -0.177 119.442 119.800 -0.302 0.000 2.527 767 Q HA 0.668 5.017 4.340 0.015 0.000 0.280 767 Q C -2.018 173.618 176.000 -0.606 0.000 0.977 767 Q CA -0.292 55.197 55.803 -0.523 0.000 0.837 767 Q CB 1.648 29.981 28.738 -0.675 0.000 1.454 767 Q HN 0.435 nan 8.270 nan 0.000 0.387 768 M N 1.552 120.653 119.600 -0.832 0.000 2.470 768 M HA 0.604 5.093 4.480 0.015 0.000 0.285 768 M C -1.545 174.314 176.300 -0.735 0.000 1.213 768 M CA -0.401 54.500 55.300 -0.664 0.000 0.901 768 M CB 2.302 34.519 32.600 -0.638 0.000 1.718 768 M HN 0.523 nan 8.290 nan 0.000 0.469 769 W N 3.060 124.122 121.300 -0.397 0.000 2.915 769 W HA 0.613 5.282 4.660 0.015 0.000 0.337 769 W C -1.367 174.951 176.519 -0.336 0.000 1.102 769 W CA -0.690 56.482 57.345 -0.289 0.000 1.224 769 W CB 1.626 30.959 29.460 -0.212 0.000 1.416 769 W HN 0.463 nan 8.180 nan 0.000 0.503 770 I N 2.911 123.483 120.570 0.003 0.000 2.359 770 I HA 0.425 4.604 4.170 0.015 0.000 0.284 770 I C 0.841 176.952 176.117 -0.010 0.000 1.018 770 I CA 0.356 61.613 61.300 -0.071 0.000 1.173 770 I CB 0.870 38.807 38.000 -0.105 0.000 1.326 770 I HN 0.739 nan 8.210 nan 0.000 0.462 771 G N 5.795 114.579 108.800 -0.027 0.000 2.550 771 G HA2 -0.316 3.653 3.960 0.015 0.000 0.277 771 G HA3 -0.316 3.653 3.960 0.015 0.000 0.277 771 G C 0.003 174.918 174.900 0.024 0.000 1.190 771 G CA 0.494 45.580 45.100 -0.023 0.000 0.971 771 G HN 0.732 nan 8.290 nan 0.000 0.559 772 D N 0.582 121.005 120.400 0.038 0.000 2.388 772 D HA 0.336 4.985 4.640 0.015 0.000 0.221 772 D C 0.715 177.159 176.300 0.241 0.000 1.133 772 D CA 0.402 54.465 54.000 0.105 0.000 0.831 772 D CB 0.466 41.284 40.800 0.031 0.000 0.962 772 D HN 0.616 nan 8.370 nan 0.000 0.502 773 K N 1.433 121.930 120.400 0.163 0.000 2.262 773 K HA 0.202 4.531 4.320 0.015 0.000 0.282 773 K C -0.287 176.305 176.600 -0.012 0.000 1.066 773 K CA -0.680 55.651 56.287 0.073 0.000 0.901 773 K CB 0.636 33.133 32.500 -0.005 0.000 1.089 773 K HN -0.235 nan 8.250 nan 0.000 0.476 774 K N 2.746 123.068 120.400 -0.131 0.000 2.382 774 K HA 0.003 4.331 4.320 0.015 0.000 0.275 774 K C 0.643 177.056 176.600 -0.313 0.000 1.009 774 K CA 0.073 56.084 56.287 -0.461 0.000 0.970 774 K CB 0.839 33.101 32.500 -0.396 0.000 0.934 774 K HN 0.577 nan 8.250 nan 0.000 0.479 775 Q N 1.595 121.171 119.800 -0.374 0.000 2.316 775 Q HA 0.183 4.532 4.340 0.015 0.000 0.235 775 Q C -0.076 175.840 176.000 -0.139 0.000 0.863 775 Q CA 0.388 56.096 55.803 -0.158 0.000 0.939 775 Q CB 0.596 29.291 28.738 -0.073 0.000 1.108 775 Q HN 0.489 nan 8.270 nan 0.000 0.522 776 L N 1.036 122.108 121.223 -0.252 0.000 2.334 776 L HA 0.381 4.730 4.340 0.015 0.000 0.276 776 L C 1.048 177.786 176.870 -0.220 0.000 1.014 776 L CA -0.356 54.357 54.840 -0.212 0.000 0.815 776 L CB 1.538 43.457 42.059 -0.232 0.000 1.268 776 L HN -0.062 nan 8.230 nan 0.000 0.428 777 L N 0.506 121.595 121.223 -0.223 0.000 2.408 777 L HA 0.203 4.552 4.340 0.015 0.000 0.215 777 L C 0.231 176.989 176.870 -0.187 0.000 1.081 777 L CA 0.722 55.440 54.840 -0.204 0.000 0.840 777 L CB 0.276 42.204 42.059 -0.218 0.000 1.002 777 L HN 0.608 nan 8.230 nan 0.000 0.468 778 T N 0.305 114.716 114.554 -0.238 0.000 2.886 778 T HA 0.403 4.762 4.350 0.015 0.000 0.292 778 T C -2.555 172.066 174.700 -0.132 0.000 1.012 778 T CA -1.198 60.806 62.100 -0.159 0.000 0.982 778 T CB 2.445 71.205 68.868 -0.180 0.000 1.018 778 T HN -0.257 nan 8.240 nan 0.000 0.451 779 P HA 0.130 nan 4.420 nan 0.000 0.269 779 P C -0.526 176.742 177.300 -0.053 0.000 1.217 779 P CA -0.709 62.362 63.100 -0.049 0.000 0.783 779 P CB 0.420 32.130 31.700 0.016 0.000 0.898 780 L N 3.437 124.667 121.223 0.012 0.000 2.407 780 L HA 0.217 4.566 4.340 0.015 0.000 0.282 780 L C 0.153 176.997 176.870 -0.045 0.000 1.110 780 L CA 0.657 55.540 54.840 0.071 0.000 0.863 780 L CB -0.648 41.556 42.059 0.242 0.000 1.207 780 L HN 0.267 nan 8.230 nan 0.000 0.454 781 R N 2.926 123.282 120.500 -0.240 0.000 2.854 781 R HA 0.456 4.805 4.340 0.015 0.000 0.271 781 R C -0.866 175.279 176.300 -0.259 0.000 0.994 781 R CA -1.062 54.680 56.100 -0.597 0.000 0.945 781 R CB 1.272 31.123 30.300 -0.749 0.000 1.194 781 R HN 0.555 nan 8.270 nan 0.000 0.476 782 D N 1.148 121.469 120.400 -0.131 0.000 2.382 782 D HA 0.038 4.687 4.640 0.015 0.000 0.240 782 D C -0.396 175.541 176.300 -0.605 0.000 1.146 782 D CA 0.443 54.252 54.000 -0.318 0.000 0.897 782 D CB 0.666 41.244 40.800 -0.370 0.000 1.197 782 D HN 0.211 nan 8.370 nan 0.000 0.432 783 Q N 1.082 120.324 119.800 -0.931 0.000 2.285 783 Q HA 0.337 4.686 4.340 0.015 0.000 0.269 783 Q C -1.243 174.031 176.000 -1.210 0.000 1.030 783 Q CA -0.549 54.757 55.803 -0.829 0.000 0.788 783 Q CB 0.788 29.247 28.738 -0.465 0.000 1.266 783 Q HN 0.557 nan 8.270 nan 0.000 0.438 784 F N 0.593 120.150 119.950 -0.654 0.000 2.706 784 F HA 0.195 4.731 4.527 0.015 0.000 0.313 784 F C 0.740 176.101 175.800 -0.732 0.000 1.096 784 F CA -0.137 57.361 58.000 -0.837 0.000 1.219 784 F CB 1.465 39.623 39.000 -1.402 0.000 1.051 784 F HN 0.456 nan 8.300 nan 0.000 0.568 785 T N -0.679 113.568 114.554 -0.512 0.000 2.910 785 T HA 0.767 5.126 4.350 0.015 0.000 0.287 785 T C -0.528 173.934 174.700 -0.395 0.000 1.050 785 T CA -0.987 60.750 62.100 -0.605 0.000 1.011 785 T CB 2.584 71.007 68.868 -0.743 0.000 1.195 785 T HN 0.226 nan 8.240 nan 0.000 0.540 786 R N -0.333 119.994 120.500 -0.290 0.000 2.771 786 R HA 0.761 5.110 4.340 0.015 0.000 0.274 786 R C -0.869 175.493 176.300 0.103 0.000 0.987 786 R CA -1.223 54.822 56.100 -0.093 0.000 0.908 786 R CB 1.544 31.785 30.300 -0.099 0.000 1.213 786 R HN 0.818 nan 8.270 nan 0.000 0.468 787 A N 3.716 126.570 122.820 0.057 0.000 2.484 787 A HA 0.286 4.615 4.320 0.015 0.000 0.268 787 A C -1.983 175.655 177.584 0.090 0.000 1.114 787 A CA -1.307 50.754 52.037 0.040 0.000 0.780 787 A CB -0.476 18.495 19.000 -0.048 0.000 1.061 787 A HN 0.567 nan 8.150 nan 0.000 0.505 788 P HA 0.097 nan 4.420 nan 0.000 0.265 788 P C -0.245 177.158 177.300 0.172 0.000 1.193 788 P CA 0.377 63.626 63.100 0.249 0.000 0.765 788 P CB 0.388 32.264 31.700 0.294 0.000 0.823 789 L N 2.302 123.600 121.223 0.125 0.000 2.456 789 L HA 0.175 4.524 4.340 0.015 0.000 0.257 789 L C 1.839 178.727 176.870 0.030 0.000 1.162 789 L CA -0.498 54.354 54.840 0.020 0.000 0.808 789 L CB -0.056 41.946 42.059 -0.096 0.000 1.136 789 L HN 0.293 nan 8.230 nan 0.000 0.466 790 D N 0.424 120.784 120.400 -0.066 0.000 2.158 790 D HA -0.167 4.482 4.640 0.015 0.000 0.197 790 D C 1.599 177.830 176.300 -0.115 0.000 0.995 790 D CA 1.428 55.314 54.000 -0.191 0.000 0.846 790 D CB 0.024 40.618 40.800 -0.343 0.000 0.941 790 D HN 0.478 nan 8.370 nan 0.000 0.456 791 N N 0.950 119.597 118.700 -0.088 0.000 2.381 791 N HA -0.100 4.649 4.740 0.015 0.000 0.182 791 N C 1.106 176.633 175.510 0.029 0.000 1.025 791 N CA 0.652 53.679 53.050 -0.038 0.000 0.888 791 N CB -0.099 38.356 38.487 -0.053 0.000 0.965 791 N HN 0.274 nan 8.380 nan 0.000 0.438 792 D N 0.276 120.707 120.400 0.051 0.000 2.234 792 D HA 0.057 4.705 4.640 0.015 0.000 0.205 792 D C 1.921 178.269 176.300 0.081 0.000 0.962 792 D CA 0.399 54.466 54.000 0.111 0.000 0.855 792 D CB 0.246 41.185 40.800 0.231 0.000 0.951 792 D HN 0.320 nan 8.370 nan 0.000 0.500 793 I N 0.169 120.773 120.570 0.058 0.000 2.585 793 I HA 0.085 4.264 4.170 0.015 0.000 0.254 793 I C 1.720 177.865 176.117 0.046 0.000 1.129 793 I CA 0.532 61.856 61.300 0.040 0.000 1.455 793 I CB -0.179 37.825 38.000 0.007 0.000 1.111 793 I HN 0.033 nan 8.210 nan 0.000 0.433 794 G N 1.373 110.219 108.800 0.076 0.000 2.566 794 G HA2 -0.330 3.639 3.960 0.015 0.000 0.280 794 G HA3 -0.330 3.639 3.960 0.015 0.000 0.280 794 G C 0.640 175.708 174.900 0.281 0.000 1.225 794 G CA 0.589 45.798 45.100 0.182 0.000 0.966 794 G HN 0.499 nan 8.290 nan 0.000 0.560 795 V N -1.839 118.175 119.914 0.167 0.000 3.577 795 V HA 0.573 4.702 4.120 0.015 0.000 0.294 795 V C 1.342 177.451 176.094 0.026 0.000 1.317 795 V CA 1.224 63.559 62.300 0.058 0.000 1.169 795 V CB -0.071 31.672 31.823 -0.133 0.000 1.011 795 V HN 1.298 nan 8.190 nan 0.000 0.426 796 S N 1.183 116.904 115.700 0.035 0.000 2.552 796 S HA 0.233 4.712 4.470 0.015 0.000 0.289 796 S C -0.100 174.510 174.600 0.017 0.000 1.304 796 S CA 0.188 58.392 58.200 0.008 0.000 1.063 796 S CB 0.234 63.433 63.200 -0.001 0.000 0.848 796 S HN 0.826 nan 8.310 nan 0.000 0.499 797 E N 1.745 121.948 120.200 0.005 0.000 2.340 797 E HA 0.575 4.934 4.350 0.015 0.000 0.273 797 E C 0.555 177.162 176.600 0.013 0.000 0.891 797 E CA -0.424 55.985 56.400 0.014 0.000 0.757 797 E CB 1.539 31.244 29.700 0.007 0.000 1.231 797 E HN 0.638 nan 8.360 nan 0.000 0.439 798 A N 1.543 124.377 122.820 0.023 0.000 1.917 798 A HA -0.245 4.084 4.320 0.015 0.000 0.219 798 A C 2.079 179.672 177.584 0.015 0.000 1.182 798 A CA 2.710 54.761 52.037 0.022 0.000 0.633 798 A CB -1.061 17.957 19.000 0.031 0.000 0.819 798 A HN 0.734 nan 8.150 nan 0.000 0.448 799 T N -2.890 111.673 114.554 0.015 0.000 2.812 799 T HA -0.043 4.316 4.350 0.015 0.000 0.264 799 T C 1.132 175.830 174.700 -0.002 0.000 1.042 799 T CA 1.359 63.464 62.100 0.009 0.000 1.140 799 T CB -0.082 68.793 68.868 0.012 0.000 0.870 799 T HN 0.364 nan 8.240 nan 0.000 0.445 800 R N 0.667 121.163 120.500 -0.008 0.000 2.639 800 R HA 0.375 4.724 4.340 0.015 0.000 0.273 800 R C -1.101 175.186 176.300 -0.022 0.000 1.732 800 R CA -0.669 55.419 56.100 -0.020 0.000 1.586 800 R CB 0.257 30.537 30.300 -0.033 0.000 1.263 800 R HN 0.241 nan 8.270 nan 0.000 0.615 801 I N 1.585 122.145 120.570 -0.018 0.000 2.752 801 I HA -0.066 4.113 4.170 0.015 0.000 0.287 801 I C 0.478 176.575 176.117 -0.034 0.000 1.188 801 I CA 0.316 61.604 61.300 -0.020 0.000 1.427 801 I CB 0.522 38.513 38.000 -0.015 0.000 1.365 801 I HN 0.473 nan 8.210 nan 0.000 0.585 802 D N 8.690 129.066 120.400 -0.040 0.000 2.454 802 D HA 0.307 4.956 4.640 0.015 0.000 0.225 802 D C -1.788 174.465 176.300 -0.078 0.000 1.081 802 D CA -2.167 51.799 54.000 -0.056 0.000 0.864 802 D CB 1.605 42.374 40.800 -0.052 0.000 1.040 802 D HN 0.184 nan 8.370 nan 0.000 0.517 803 P HA -0.075 nan 4.420 nan 0.000 0.230 803 P C 0.828 178.031 177.300 -0.161 0.000 1.158 803 P CA 0.586 63.624 63.100 -0.104 0.000 0.769 803 P CB 0.209 31.858 31.700 -0.084 0.000 0.807 804 N N -0.263 118.338 118.700 -0.164 0.000 2.422 804 N HA 0.026 4.775 4.740 0.015 0.000 0.181 804 N C 0.394 175.713 175.510 -0.318 0.000 1.080 804 N CA -0.181 52.729 53.050 -0.233 0.000 0.893 804 N CB 0.053 38.432 38.487 -0.179 0.000 0.973 804 N HN -0.035 nan 8.380 nan 0.000 0.456 805 A N 0.304 122.981 122.820 -0.238 0.000 2.445 805 A HA 0.033 4.362 4.320 0.015 0.000 0.242 805 A C 0.569 177.931 177.584 -0.370 0.000 1.075 805 A CA -0.404 51.489 52.037 -0.240 0.000 0.777 805 A CB -0.096 18.841 19.000 -0.106 0.000 1.013 805 A HN 0.467 nan 8.150 nan 0.000 0.493 806 W N 1.483 122.530 121.300 -0.421 0.000 2.318 806 W HA -0.186 4.483 4.660 0.014 0.000 0.313 806 W C 2.255 178.141 176.519 -1.055 0.000 1.221 806 W CA 1.827 58.647 57.345 -0.876 0.000 1.266 806 W CB -0.357 28.480 29.460 -1.037 0.000 1.150 806 W HN 0.554 nan 8.180 nan 0.000 0.496 807 V N 0.826 120.577 119.914 -0.272 0.000 2.332 807 V HA -0.277 3.852 4.120 0.015 0.000 0.248 807 V C 2.194 178.342 176.094 0.090 0.000 1.055 807 V CA 2.176 64.528 62.300 0.086 0.000 1.038 807 V CB -0.388 31.556 31.823 0.203 0.000 0.651 807 V HN 0.081 nan 8.190 nan 0.000 0.450 808 E N 0.118 120.288 120.200 -0.050 0.000 2.072 808 E HA -0.193 4.166 4.350 0.015 0.000 0.191 808 E C 2.330 178.881 176.600 -0.082 0.000 0.985 808 E CA 1.355 57.728 56.400 -0.044 0.000 0.801 808 E CB -0.377 29.276 29.700 -0.079 0.000 0.750 808 E HN 0.645 nan 8.360 nan 0.000 0.452 809 R N -0.078 120.287 120.500 -0.224 0.000 2.083 809 R HA -0.137 4.212 4.340 0.015 0.000 0.237 809 R C 2.368 178.575 176.300 -0.156 0.000 1.137 809 R CA 1.530 57.473 56.100 -0.262 0.000 0.951 809 R CB -0.325 29.692 30.300 -0.471 0.000 0.851 809 R HN 0.260 nan 8.270 nan 0.000 0.434 810 W N 1.542 122.810 121.300 -0.054 0.000 2.363 810 W HA -0.085 4.584 4.660 0.015 0.000 0.296 810 W C 1.953 178.419 176.519 -0.088 0.000 1.212 810 W CA 0.701 57.894 57.345 -0.253 0.000 1.260 810 W CB -0.590 28.854 29.460 -0.027 0.000 1.131 810 W HN 0.133 nan 8.180 nan 0.000 0.530 811 K N 0.212 120.815 120.400 0.338 0.000 2.025 811 K HA -0.066 4.263 4.320 0.015 0.000 0.207 811 K C 2.321 178.973 176.600 0.087 0.000 1.049 811 K CA 1.769 58.217 56.287 0.268 0.000 0.933 811 K CB -0.658 31.954 32.500 0.187 0.000 0.714 811 K HN -0.035 nan 8.250 nan 0.000 0.438 812 A N 1.118 123.961 122.820 0.038 0.000 2.019 812 A HA -0.086 4.243 4.320 0.015 0.000 0.219 812 A C 2.181 179.759 177.584 -0.011 0.000 1.164 812 A CA 1.781 53.825 52.037 0.012 0.000 0.644 812 A CB -0.560 18.434 19.000 -0.009 0.000 0.805 812 A HN 0.335 nan 8.150 nan 0.000 0.449 813 A N -1.999 120.786 122.820 -0.058 0.000 2.208 813 A HA 0.412 4.741 4.320 0.015 0.000 0.209 813 A C 1.803 179.319 177.584 -0.113 0.000 1.161 813 A CA 1.192 53.201 52.037 -0.046 0.000 0.782 813 A CB -0.787 18.149 19.000 -0.105 0.000 0.816 813 A HN 1.846 nan 8.150 nan 0.000 0.477 814 G N -1.404 107.220 108.800 -0.294 0.000 2.141 814 G HA2 -0.313 3.656 3.960 0.015 0.000 0.242 814 G HA3 -0.313 3.656 3.960 0.015 0.000 0.242 814 G C 0.596 175.461 174.900 -0.059 0.000 0.982 814 G CA 0.698 45.384 45.100 -0.689 0.000 0.662 814 G HN 0.754 nan 8.290 nan 0.000 0.527 815 H N -1.466 117.570 119.070 -0.057 0.000 2.387 815 H HA -0.085 4.480 4.556 0.015 0.000 0.299 815 H C 2.245 177.532 175.328 -0.068 0.000 1.099 815 H CA 1.571 57.602 56.048 -0.029 0.000 1.315 815 H CB 0.036 29.730 29.762 -0.113 0.000 1.380 815 H HN 0.592 nan 8.280 nan 0.000 0.513 816 Y N 0.587 121.010 120.300 0.204 0.000 2.457 816 Y HA -0.099 4.460 4.550 0.015 0.000 0.292 816 Y C 2.176 178.163 175.900 0.145 0.000 1.125 816 Y CA 0.761 58.948 58.100 0.145 0.000 1.254 816 Y CB 0.274 38.800 38.460 0.111 0.000 1.012 816 Y HN 0.182 nan 8.280 nan 0.000 0.555 817 Q N -0.387 119.569 119.800 0.260 0.000 2.352 817 Q HA 0.284 4.633 4.340 0.015 0.000 0.212 817 Q C 0.782 176.971 176.000 0.315 0.000 0.888 817 Q CA -0.038 55.919 55.803 0.257 0.000 0.934 817 Q CB 0.463 29.343 28.738 0.237 0.000 1.093 817 Q HN 0.287 nan 8.270 nan 0.000 0.523 818 A N 1.654 124.683 122.820 0.348 0.000 2.555 818 A HA -0.013 4.316 4.320 0.015 0.000 0.233 818 A C -0.049 177.833 177.584 0.497 0.000 1.060 818 A CA 0.414 52.722 52.037 0.451 0.000 0.759 818 A CB 0.256 19.561 19.000 0.509 0.000 0.995 818 A HN 0.127 nan 8.150 nan 0.000 0.506 819 E N 0.594 121.003 120.200 0.347 0.000 2.183 819 E HA 0.451 4.810 4.350 0.015 0.000 0.271 819 E C -0.443 176.089 176.600 -0.114 0.000 0.919 819 E CA -0.562 55.947 56.400 0.183 0.000 0.781 819 E CB 1.951 31.732 29.700 0.136 0.000 1.140 819 E HN 0.708 nan 8.360 nan 0.000 0.402 820 A N 2.495 125.104 122.820 -0.352 0.000 2.797 820 A HA 0.399 4.728 4.320 0.015 0.000 0.296 820 A C 0.353 177.769 177.584 -0.280 0.000 1.580 820 A CA -0.224 51.342 52.037 -0.785 0.000 1.277 820 A CB -0.448 18.201 19.000 -0.585 0.000 1.101 820 A HN 0.561 nan 8.150 nan 0.000 0.562 821 A N 2.559 125.241 122.820 -0.230 0.000 2.450 821 A HA 0.465 4.794 4.320 0.015 0.000 0.255 821 A C 0.105 177.625 177.584 -0.106 0.000 1.096 821 A CA -0.337 51.639 52.037 -0.102 0.000 0.778 821 A CB -0.025 18.938 19.000 -0.061 0.000 1.031 821 A HN 1.095 nan 8.150 nan 0.000 0.494 822 L N 3.352 124.504 121.223 -0.119 0.000 2.360 822 L HA 0.295 4.644 4.340 0.015 0.000 0.276 822 L C 0.601 177.353 176.870 -0.197 0.000 1.121 822 L CA 0.341 55.027 54.840 -0.258 0.000 0.845 822 L CB 0.347 42.265 42.059 -0.235 0.000 1.143 822 L HN 0.746 nan 8.230 nan 0.000 0.452 823 L N 3.576 124.664 121.223 -0.224 0.000 2.470 823 L HA 0.316 4.665 4.340 0.015 0.000 0.219 823 L C 0.395 177.200 176.870 -0.110 0.000 1.071 823 L CA 0.040 54.810 54.840 -0.118 0.000 0.850 823 L CB 0.041 42.062 42.059 -0.063 0.000 1.040 823 L HN 0.751 nan 8.230 nan 0.000 0.475 824 Q N -0.373 119.329 119.800 -0.163 0.000 2.503 824 Q HA 0.295 4.644 4.340 0.015 0.000 0.268 824 Q C -2.100 173.835 176.000 -0.107 0.000 0.982 824 Q CA -0.583 55.162 55.803 -0.097 0.000 0.907 824 Q CB 2.758 31.466 28.738 -0.050 0.000 1.467 824 Q HN 0.028 nan 8.270 nan 0.000 0.394 825 C N 3.291 122.573 119.300 -0.030 0.000 2.789 825 C HA 0.789 5.258 4.460 0.015 0.000 0.367 825 C C -0.850 174.254 174.990 0.189 0.000 1.062 825 C CA 0.587 59.631 59.018 0.043 0.000 1.297 825 C CB 0.542 28.284 27.740 0.003 0.000 1.794 825 C HN 0.833 nan 8.230 nan 0.000 0.474 826 T N 2.311 116.936 114.554 0.120 0.000 2.901 826 T HA 0.913 5.272 4.350 0.015 0.000 0.293 826 T C -0.564 173.958 174.700 -0.296 0.000 1.084 826 T CA -0.350 61.778 62.100 0.047 0.000 1.008 826 T CB 1.960 70.815 68.868 -0.021 0.000 1.170 826 T HN 1.659 nan 8.240 nan 0.000 0.509 827 A N 1.296 123.741 122.820 -0.625 0.000 2.374 827 A HA 0.727 5.056 4.320 0.015 0.000 0.305 827 A C -1.238 176.082 177.584 -0.441 0.000 1.053 827 A CA -0.752 50.803 52.037 -0.803 0.000 0.726 827 A CB 1.209 19.253 19.000 -1.593 0.000 1.229 827 A HN 0.854 nan 8.150 nan 0.000 0.431 828 D N 1.307 121.523 120.400 -0.306 0.000 2.619 828 D HA 0.522 5.171 4.640 0.015 0.000 0.241 828 D C -0.709 175.491 176.300 -0.168 0.000 1.087 828 D CA 0.048 53.931 54.000 -0.195 0.000 0.851 828 D CB 2.353 43.072 40.800 -0.134 0.000 1.474 828 D HN 0.461 nan 8.370 nan 0.000 0.478 829 T N 1.649 116.126 114.554 -0.129 0.000 2.837 829 T HA 0.540 4.899 4.350 0.015 0.000 0.285 829 T C 0.580 175.235 174.700 -0.075 0.000 0.984 829 T CA -0.523 61.516 62.100 -0.102 0.000 1.049 829 T CB 1.139 69.952 68.868 -0.092 0.000 0.947 829 T HN 0.129 nan 8.240 nan 0.000 0.472 830 L N 1.044 122.229 121.223 -0.062 0.000 2.293 830 L HA 0.633 4.982 4.340 0.015 0.000 0.264 830 L C 2.011 178.863 176.870 -0.031 0.000 1.029 830 L CA -1.382 53.430 54.840 -0.046 0.000 0.897 830 L CB 0.343 42.376 42.059 -0.044 0.000 1.497 830 L HN 0.714 nan 8.230 nan 0.000 0.495 831 A N 0.640 123.446 122.820 -0.023 0.000 1.873 831 A HA -0.201 4.128 4.320 0.015 0.000 0.218 831 A C 0.984 178.564 177.584 -0.007 0.000 1.193 831 A CA 2.388 54.416 52.037 -0.014 0.000 0.629 831 A CB -0.580 18.412 19.000 -0.014 0.000 0.826 831 A HN 0.896 nan 8.150 nan 0.000 0.447 832 D N -2.746 117.649 120.400 -0.009 0.000 2.673 832 D HA 0.588 5.237 4.640 0.015 0.000 0.278 832 D C -0.159 176.139 176.300 -0.003 0.000 1.393 832 D CA 0.562 54.562 54.000 0.001 0.000 0.805 832 D CB -0.291 40.506 40.800 -0.006 0.000 1.110 832 D HN 0.599 nan 8.370 nan 0.000 0.476 833 A N -0.760 122.049 122.820 -0.017 0.000 2.540 833 A HA 0.627 4.956 4.320 0.015 0.000 0.291 833 A C -1.812 175.737 177.584 -0.059 0.000 1.083 833 A CA -0.749 51.265 52.037 -0.039 0.000 0.650 833 A CB 1.305 20.275 19.000 -0.050 0.000 1.292 833 A HN 0.060 nan 8.150 nan 0.000 0.435 834 V N 0.778 120.637 119.914 -0.090 0.000 2.417 834 V HA 0.609 4.738 4.120 0.015 0.000 0.291 834 V C -0.832 175.170 176.094 -0.154 0.000 1.024 834 V CA -0.363 61.861 62.300 -0.126 0.000 0.861 834 V CB 1.197 32.946 31.823 -0.123 0.000 0.985 834 V HN 0.836 nan 8.190 nan 0.000 0.436 835 L N 6.744 127.867 121.223 -0.168 0.000 2.325 835 L HA 0.646 4.995 4.340 0.015 0.000 0.281 835 L C -0.792 175.938 176.870 -0.234 0.000 1.004 835 L CA 0.012 54.758 54.840 -0.156 0.000 0.823 835 L CB 1.155 43.151 42.059 -0.106 0.000 1.236 835 L HN 0.419 nan 8.230 nan 0.000 0.415 836 I N 4.223 124.646 120.570 -0.244 0.000 2.378 836 I HA 0.400 4.579 4.170 0.015 0.000 0.291 836 I C -0.069 175.998 176.117 -0.085 0.000 0.992 836 I CA -0.244 60.854 61.300 -0.336 0.000 1.154 836 I CB 1.533 39.062 38.000 -0.784 0.000 1.315 836 I HN 0.559 nan 8.210 nan 0.000 0.448 837 T N 4.815 119.327 114.554 -0.069 0.000 2.797 837 T HA 0.628 4.987 4.350 0.015 0.000 0.279 837 T C 0.260 174.991 174.700 0.053 0.000 0.991 837 T CA -0.538 61.576 62.100 0.023 0.000 0.979 837 T CB 1.729 70.592 68.868 -0.009 0.000 0.943 837 T HN 0.767 nan 8.240 nan 0.000 0.444 838 T N -0.653 113.973 114.554 0.121 0.000 2.906 838 T HA 0.857 5.216 4.350 0.015 0.000 0.295 838 T C -1.166 173.568 174.700 0.056 0.000 1.075 838 T CA -1.065 61.078 62.100 0.073 0.000 1.005 838 T CB 1.984 70.947 68.868 0.158 0.000 1.136 838 T HN 0.792 nan 8.240 nan 0.000 0.498 839 A N 1.669 124.433 122.820 -0.093 0.000 2.437 839 A HA 0.756 5.085 4.320 0.015 0.000 0.293 839 A C -1.390 176.042 177.584 -0.253 0.000 1.038 839 A CA -0.756 51.261 52.037 -0.033 0.000 0.708 839 A CB 0.841 19.843 19.000 0.004 0.000 1.251 839 A HN 1.017 nan 8.150 nan 0.000 0.409 840 H N 0.111 119.228 119.070 0.078 0.000 2.895 840 H HA 0.776 5.341 4.556 0.015 0.000 0.373 840 H C -0.106 175.252 175.328 0.050 0.000 1.174 840 H CA 0.201 56.218 56.048 -0.051 0.000 1.144 840 H CB 2.192 31.837 29.762 -0.196 0.000 1.793 840 H HN 0.991 nan 8.280 nan 0.000 0.551 841 A N 1.957 124.821 122.820 0.073 0.000 2.343 841 A HA 0.391 4.720 4.320 0.015 0.000 0.316 841 A C -1.337 176.305 177.584 0.096 0.000 1.104 841 A CA -0.674 51.466 52.037 0.173 0.000 0.768 841 A CB 1.025 20.084 19.000 0.099 0.000 1.213 841 A HN 0.577 nan 8.150 nan 0.000 0.456 842 W N 1.951 123.360 121.300 0.182 0.000 2.433 842 W HA 0.441 5.110 4.660 0.015 0.000 0.315 842 W C -0.311 176.243 176.519 0.058 0.000 1.087 842 W CA -0.110 57.342 57.345 0.178 0.000 1.205 842 W CB 1.755 31.379 29.460 0.272 0.000 1.288 842 W HN 0.766 nan 8.180 nan 0.000 0.504 843 Q N 1.501 121.452 119.800 0.253 0.000 2.458 843 Q HA 0.408 4.757 4.340 0.015 0.000 0.282 843 Q C -0.934 175.207 176.000 0.236 0.000 1.106 843 Q CA -0.868 55.036 55.803 0.168 0.000 0.814 843 Q CB 3.553 32.346 28.738 0.091 0.000 1.425 843 Q HN 0.389 nan 8.270 nan 0.000 0.437 844 H N 1.451 120.559 119.070 0.063 0.000 2.934 844 H HA 0.086 4.651 4.556 0.015 0.000 0.340 844 H C -0.898 174.464 175.328 0.058 0.000 1.008 844 H CA -0.281 55.815 56.048 0.079 0.000 1.317 844 H CB 1.275 31.094 29.762 0.094 0.000 1.670 844 H HN 0.665 nan 8.280 nan 0.000 0.516 845 Q N 2.984 122.444 119.800 -0.565 0.000 2.457 845 Q HA -0.203 4.146 4.340 0.015 0.000 0.283 845 Q C 1.059 176.986 176.000 -0.121 0.000 1.234 845 Q CA 1.703 57.298 55.803 -0.345 0.000 0.877 845 Q CB -1.661 26.881 28.738 -0.326 0.000 1.250 845 Q HN 1.217 nan 8.270 nan 0.000 0.481 846 G N -1.537 107.224 108.800 -0.065 0.000 2.217 846 G HA2 -0.382 3.587 3.960 0.015 0.000 0.246 846 G HA3 -0.382 3.587 3.960 0.015 0.000 0.246 846 G C 0.076 174.980 174.900 0.007 0.000 0.990 846 G CA 0.402 45.490 45.100 -0.020 0.000 0.627 846 G HN 0.558 nan 8.290 nan 0.000 0.522 847 K N 1.354 121.768 120.400 0.023 0.000 2.159 847 K HA 0.659 4.988 4.320 0.015 0.000 0.266 847 K C -0.169 176.454 176.600 0.037 0.000 0.975 847 K CA -0.129 56.180 56.287 0.035 0.000 0.865 847 K CB 1.121 33.654 32.500 0.055 0.000 1.087 847 K HN -0.017 nan 8.250 nan 0.000 0.446 848 T N 5.810 120.375 114.554 0.019 0.000 2.729 848 T HA 0.225 4.584 4.350 0.015 0.000 0.296 848 T C 1.002 175.657 174.700 -0.075 0.000 0.928 848 T CA -0.420 61.689 62.100 0.016 0.000 1.045 848 T CB 0.399 69.291 68.868 0.039 0.000 0.902 848 T HN 0.568 nan 8.240 nan 0.000 0.500 849 L N 2.667 123.761 121.223 -0.215 0.000 2.145 849 L HA 0.341 4.690 4.340 0.015 0.000 0.201 849 L C -0.073 176.340 176.870 -0.762 0.000 1.075 849 L CA 0.930 55.368 54.840 -0.669 0.000 0.773 849 L CB 0.093 41.339 42.059 -1.355 0.000 0.936 849 L HN 0.535 nan 8.230 nan 0.000 0.451 850 F N -1.208 118.688 119.950 -0.091 0.000 2.601 850 F HA 0.539 5.075 4.527 0.015 0.000 0.309 850 F C -0.526 175.349 175.800 0.126 0.000 1.089 850 F CA -0.810 57.074 58.000 -0.193 0.000 0.940 850 F CB 2.030 40.516 39.000 -0.857 0.000 1.273 850 F HN -0.330 nan 8.300 nan 0.000 0.450 851 I N 1.588 122.364 120.570 0.344 0.000 2.436 851 I HA 0.375 4.554 4.170 0.015 0.000 0.289 851 I C -0.717 175.659 176.117 0.431 0.000 1.010 851 I CA -0.517 61.019 61.300 0.393 0.000 1.098 851 I CB 2.172 40.319 38.000 0.246 0.000 1.266 851 I HN 0.538 nan 8.210 nan 0.000 0.434 852 S N 6.698 122.757 115.700 0.599 0.000 2.478 852 S HA 0.602 5.081 4.470 0.015 0.000 0.312 852 S C -0.675 174.173 174.600 0.413 0.000 1.094 852 S CA -0.686 57.836 58.200 0.537 0.000 1.081 852 S CB 0.755 64.411 63.200 0.760 0.000 1.007 852 S HN 0.560 nan 8.310 nan 0.000 0.475 853 R N 3.408 124.074 120.500 0.277 0.000 2.393 853 R HA 0.546 4.895 4.340 0.015 0.000 0.315 853 R C -0.766 175.617 176.300 0.139 0.000 0.952 853 R CA -0.729 55.487 56.100 0.194 0.000 0.842 853 R CB 1.805 32.190 30.300 0.142 0.000 1.163 853 R HN 0.553 nan 8.270 nan 0.000 0.450 854 K N 0.901 121.381 120.400 0.133 0.000 2.443 854 K HA 0.514 4.843 4.320 0.015 0.000 0.251 854 K C -0.802 175.807 176.600 0.015 0.000 0.972 854 K CA -0.937 55.363 56.287 0.023 0.000 0.833 854 K CB 2.617 35.116 32.500 -0.002 0.000 1.317 854 K HN 0.625 nan 8.250 nan 0.000 0.441 855 T N -1.352 113.134 114.554 -0.114 0.000 2.916 855 T HA 0.528 4.887 4.350 0.015 0.000 0.298 855 T C -1.357 173.244 174.700 -0.165 0.000 1.031 855 T CA -0.801 61.278 62.100 -0.034 0.000 0.993 855 T CB 0.447 69.308 68.868 -0.012 0.000 1.045 855 T HN 0.369 nan 8.240 nan 0.000 0.454 856 Y N 1.020 121.297 120.300 -0.040 0.000 2.328 856 Y HA 0.641 5.200 4.550 0.015 0.000 0.336 856 Y C 0.490 176.330 175.900 -0.100 0.000 0.960 856 Y CA -1.300 56.791 58.100 -0.016 0.000 1.134 856 Y CB 1.747 40.240 38.460 0.056 0.000 1.166 856 Y HN 0.671 nan 8.280 nan 0.000 0.464 857 R N 4.392 124.927 120.500 0.058 0.000 2.320 857 R HA 0.608 4.957 4.340 0.015 0.000 0.319 857 R C -1.543 174.711 176.300 -0.076 0.000 0.969 857 R CA -0.374 55.711 56.100 -0.024 0.000 0.857 857 R CB 0.405 30.696 30.300 -0.015 0.000 1.160 857 R HN 0.791 nan 8.270 nan 0.000 0.491 858 I N 5.000 125.465 120.570 -0.176 0.000 2.321 858 I HA 0.185 4.364 4.170 0.015 0.000 0.291 858 I C -0.132 175.874 176.117 -0.185 0.000 0.998 858 I CA -0.551 60.563 61.300 -0.309 0.000 1.227 858 I CB 1.386 38.993 38.000 -0.655 0.000 1.368 858 I HN 0.677 nan 8.210 nan 0.000 0.466 859 D N 4.209 124.547 120.400 -0.103 0.000 2.592 859 D HA 0.258 4.907 4.640 0.015 0.000 0.259 859 D C 1.181 177.493 176.300 0.019 0.000 1.144 859 D CA -0.772 53.209 54.000 -0.031 0.000 1.080 859 D CB 0.770 41.567 40.800 -0.004 0.000 1.225 859 D HN 0.463 nan 8.370 nan 0.000 0.619 860 G N -1.315 107.517 108.800 0.054 0.000 2.625 860 G HA2 -0.142 3.826 3.960 0.015 0.000 0.214 860 G HA3 -0.142 3.826 3.960 0.015 0.000 0.214 860 G C 1.146 176.164 174.900 0.196 0.000 1.132 860 G CA 1.027 46.197 45.100 0.116 0.000 0.782 860 G HN 0.531 nan 8.290 nan 0.000 0.538 861 S N -1.146 114.650 115.700 0.160 0.000 2.501 861 S HA 0.360 4.839 4.470 0.015 0.000 0.220 861 S C 1.869 176.573 174.600 0.174 0.000 0.997 861 S CA 1.013 59.336 58.200 0.205 0.000 0.919 861 S CB 0.055 63.348 63.200 0.156 0.000 0.778 861 S HN 1.411 nan 8.310 nan 0.000 0.523 862 G N 0.616 109.518 108.800 0.170 0.000 2.157 862 G HA2 -0.208 3.761 3.960 0.015 0.000 0.239 862 G HA3 -0.208 3.761 3.960 0.015 0.000 0.239 862 G C -0.231 174.821 174.900 0.255 0.000 0.982 862 G CA 0.049 45.311 45.100 0.270 0.000 0.650 862 G HN 0.616 nan 8.290 nan 0.000 0.527 863 Q N -0.348 119.539 119.800 0.145 0.000 2.235 863 Q HA 0.630 4.979 4.340 0.015 0.000 0.250 863 Q C 0.167 176.209 176.000 0.070 0.000 0.909 863 Q CA -0.410 55.482 55.803 0.148 0.000 0.910 863 Q CB 1.700 30.515 28.738 0.128 0.000 1.223 863 Q HN 0.416 nan 8.270 nan 0.000 0.432 864 M N 2.196 121.875 119.600 0.132 0.000 2.047 864 M HA 0.462 4.950 4.480 0.015 0.000 0.342 864 M C -1.301 175.100 176.300 0.169 0.000 1.058 864 M CA -0.451 54.895 55.300 0.077 0.000 0.991 864 M CB 0.705 33.360 32.600 0.092 0.000 1.474 864 M HN 0.708 nan 8.290 nan 0.000 0.419 865 A N 6.869 129.752 122.820 0.105 0.000 2.289 865 A HA 0.669 4.998 4.320 0.015 0.000 0.298 865 A C -0.651 176.972 177.584 0.064 0.000 1.208 865 A CA -0.618 51.483 52.037 0.106 0.000 0.845 865 A CB 0.174 19.217 19.000 0.072 0.000 1.125 865 A HN 0.927 nan 8.150 nan 0.000 0.517 866 I N 2.045 122.641 120.570 0.043 0.000 2.377 866 I HA 0.371 4.550 4.170 0.015 0.000 0.293 866 I C -0.070 175.949 176.117 -0.164 0.000 0.987 866 I CA -0.262 60.957 61.300 -0.135 0.000 1.185 866 I CB 2.109 40.030 38.000 -0.131 0.000 1.341 866 I HN 0.486 nan 8.210 nan 0.000 0.455 867 T N 5.488 119.906 114.554 -0.226 0.000 2.807 867 T HA 0.576 4.935 4.350 0.015 0.000 0.279 867 T C -0.402 174.114 174.700 -0.305 0.000 0.993 867 T CA -0.469 61.508 62.100 -0.205 0.000 0.970 867 T CB 1.912 70.756 68.868 -0.041 0.000 0.950 867 T HN 0.235 nan 8.240 nan 0.000 0.441 868 V N 3.389 122.993 119.914 -0.516 0.000 2.588 868 V HA 0.492 4.621 4.120 0.015 0.000 0.304 868 V C -0.880 175.069 176.094 -0.242 0.000 1.042 868 V CA -0.919 61.111 62.300 -0.449 0.000 0.877 868 V CB 2.185 33.437 31.823 -0.951 0.000 0.996 868 V HN 0.843 nan 8.190 nan 0.000 0.425 869 D N 3.235 123.655 120.400 0.033 0.000 2.505 869 D HA 0.528 5.176 4.640 0.015 0.000 0.250 869 D C -0.965 175.463 176.300 0.213 0.000 1.164 869 D CA -0.048 54.062 54.000 0.183 0.000 0.870 869 D CB 2.577 43.500 40.800 0.205 0.000 1.160 869 D HN 0.238 nan 8.370 nan 0.000 0.549 870 V N 2.193 122.269 119.914 0.269 0.000 2.715 870 V HA 0.327 4.456 4.120 0.015 0.000 0.310 870 V C 0.046 176.287 176.094 0.246 0.000 1.054 870 V CA -0.693 61.779 62.300 0.287 0.000 0.928 870 V CB 2.611 34.646 31.823 0.353 0.000 1.007 870 V HN 0.351 nan 8.190 nan 0.000 0.437 871 E N 2.029 122.360 120.200 0.218 0.000 2.187 871 E HA 0.618 4.977 4.350 0.015 0.000 0.268 871 E C -1.584 175.131 176.600 0.192 0.000 0.896 871 E CA -0.531 55.976 56.400 0.179 0.000 0.766 871 E CB 2.465 32.254 29.700 0.149 0.000 1.142 871 E HN 0.410 nan 8.360 nan 0.000 0.408 872 V N 2.103 122.136 119.914 0.198 0.000 2.448 872 V HA 0.394 4.522 4.120 0.015 0.000 0.295 872 V C 0.126 176.314 176.094 0.156 0.000 1.025 872 V CA -0.985 61.455 62.300 0.233 0.000 0.859 872 V CB 1.512 33.512 31.823 0.295 0.000 0.988 872 V HN 0.837 nan 8.190 nan 0.000 0.431 873 A N 3.396 126.265 122.820 0.081 0.000 2.567 873 A HA 0.256 4.585 4.320 0.015 0.000 0.240 873 A C 1.652 179.308 177.584 0.120 0.000 1.053 873 A CA 0.641 52.717 52.037 0.065 0.000 0.755 873 A CB 0.197 19.198 19.000 0.003 0.000 0.978 873 A HN 1.386 nan 8.150 nan 0.000 0.507 874 S N 1.298 117.067 115.700 0.114 0.000 2.399 874 S HA -0.181 4.298 4.470 0.015 0.000 0.231 874 S C 0.996 175.683 174.600 0.145 0.000 1.022 874 S CA 1.443 59.730 58.200 0.145 0.000 0.983 874 S CB -0.355 62.909 63.200 0.107 0.000 0.803 874 S HN 0.842 nan 8.310 nan 0.000 0.480 875 D N 0.401 120.859 120.400 0.097 0.000 2.340 875 D HA 0.124 4.773 4.640 0.015 0.000 0.220 875 D C 0.638 176.981 176.300 0.070 0.000 1.039 875 D CA 0.158 54.200 54.000 0.070 0.000 0.866 875 D CB -0.570 40.257 40.800 0.045 0.000 0.913 875 D HN 0.333 nan 8.370 nan 0.000 0.523 876 T N 1.126 115.745 114.554 0.108 0.000 2.922 876 T HA 0.378 4.737 4.350 0.015 0.000 0.285 876 T C -2.596 172.227 174.700 0.206 0.000 1.005 876 T CA -2.023 60.168 62.100 0.151 0.000 1.061 876 T CB 0.973 69.935 68.868 0.156 0.000 1.007 876 T HN -0.175 nan 8.240 nan 0.000 0.502 877 P HA 0.050 nan 4.420 nan 0.000 0.262 877 P C -0.570 177.064 177.300 0.557 0.000 1.182 877 P CA 0.254 63.489 63.100 0.225 0.000 0.761 877 P CB -0.166 31.672 31.700 0.229 0.000 0.795 878 H N 4.393 123.857 119.070 0.656 0.000 3.094 878 H HA 0.039 4.604 4.556 0.015 0.000 0.320 878 H C -1.539 174.130 175.328 0.567 0.000 1.000 878 H CA -1.231 55.122 56.048 0.509 0.000 1.413 878 H CB -0.376 29.614 29.762 0.380 0.000 1.405 878 H HN 0.394 nan 8.280 nan 0.000 0.586 879 P HA 0.001 nan 4.420 nan 0.000 0.274 879 P C 0.138 177.308 177.300 -0.216 0.000 1.231 879 P CA -0.266 62.891 63.100 0.094 0.000 0.790 879 P CB 1.116 32.741 31.700 -0.126 0.000 0.951 880 A N 3.330 125.733 122.820 -0.695 0.000 1.972 880 A HA -0.104 4.225 4.320 0.015 0.000 0.219 880 A C 1.075 178.255 177.584 -0.674 0.000 1.169 880 A CA 1.325 52.931 52.037 -0.717 0.000 0.635 880 A CB -0.534 17.845 19.000 -1.035 0.000 0.810 880 A HN 0.760 nan 8.150 nan 0.000 0.446 881 R N -3.177 116.968 120.500 -0.591 0.000 2.741 881 R HA 0.744 5.093 4.340 0.015 0.000 0.274 881 R C -1.625 174.413 176.300 -0.436 0.000 1.029 881 R CA -0.829 54.950 56.100 -0.536 0.000 0.880 881 R CB 0.828 30.781 30.300 -0.578 0.000 1.264 881 R HN -0.013 nan 8.270 nan 0.000 0.465 882 I N 0.908 121.253 120.570 -0.374 0.000 2.560 882 I HA 0.605 4.784 4.170 0.015 0.000 0.278 882 I C -0.570 175.308 176.117 -0.398 0.000 1.089 882 I CA -0.266 60.834 61.300 -0.332 0.000 1.086 882 I CB 1.821 39.690 38.000 -0.219 0.000 1.202 882 I HN 0.954 nan 8.210 nan 0.000 0.471 883 G N 5.572 114.072 108.800 -0.501 0.000 2.650 883 G HA2 0.746 4.715 3.960 0.015 0.000 0.310 883 G HA3 0.746 4.715 3.960 0.015 0.000 0.310 883 G C -1.678 173.051 174.900 -0.284 0.000 1.270 883 G CA -0.582 44.274 45.100 -0.407 0.000 0.810 883 G HN 0.231 nan 8.290 nan 0.000 0.493 884 L N 0.784 121.895 121.223 -0.186 0.000 2.323 884 L HA 0.664 5.013 4.340 0.015 0.000 0.265 884 L C -0.701 176.069 176.870 -0.166 0.000 1.012 884 L CA -1.155 53.606 54.840 -0.132 0.000 0.820 884 L CB 2.408 44.470 42.059 0.004 0.000 1.334 884 L HN 0.775 nan 8.230 nan 0.000 0.427 885 N N 0.636 119.267 118.700 -0.116 0.000 2.396 885 N HA 0.680 5.429 4.740 0.015 0.000 0.275 885 N C -1.301 174.213 175.510 0.008 0.000 1.218 885 N CA -0.521 52.495 53.050 -0.058 0.000 0.812 885 N CB 2.376 40.848 38.487 -0.025 0.000 1.592 885 N HN 0.859 nan 8.380 nan 0.000 0.480 886 C N -0.749 118.562 119.300 0.019 0.000 3.312 886 C HA 0.593 5.061 4.460 0.015 0.000 0.332 886 C C -1.111 173.660 174.990 -0.366 0.000 1.340 886 C CA -0.852 58.116 59.018 -0.084 0.000 1.265 886 C CB 1.034 28.763 27.740 -0.017 0.000 1.563 886 C HN 0.856 nan 8.230 nan 0.000 0.471 887 Q N 1.343 120.699 119.800 -0.740 0.000 2.372 887 Q HA 0.669 5.018 4.340 0.015 0.000 0.259 887 Q C -1.101 174.599 176.000 -0.500 0.000 0.993 887 Q CA -0.435 54.706 55.803 -1.104 0.000 0.854 887 Q CB 0.872 28.579 28.738 -1.718 0.000 1.231 887 Q HN 0.768 nan 8.270 nan 0.000 0.462 888 L N 2.743 123.776 121.223 -0.316 0.000 2.395 888 L HA 0.306 4.655 4.340 0.015 0.000 0.269 888 L C 1.235 178.046 176.870 -0.097 0.000 1.133 888 L CA -0.242 54.543 54.840 -0.092 0.000 0.812 888 L CB 0.902 43.021 42.059 0.101 0.000 1.125 888 L HN 0.843 nan 8.230 nan 0.000 0.452 889 A N 2.003 124.792 122.820 -0.050 0.000 1.930 889 A HA -0.147 4.182 4.320 0.015 0.000 0.217 889 A C 1.186 178.765 177.584 -0.007 0.000 1.175 889 A CA 0.761 52.764 52.037 -0.057 0.000 0.627 889 A CB -0.343 18.618 19.000 -0.066 0.000 0.815 889 A HN 0.795 nan 8.150 nan 0.000 0.443 890 Q N -0.096 119.741 119.800 0.063 0.000 2.361 890 Q HA 0.363 4.712 4.340 0.015 0.000 0.276 890 Q C -1.101 174.956 176.000 0.095 0.000 1.022 890 Q CA 0.525 56.362 55.803 0.057 0.000 0.898 890 Q CB 0.667 29.475 28.738 0.116 0.000 1.246 890 Q HN 0.161 nan 8.270 nan 0.000 0.410 891 V N 3.560 123.480 119.914 0.009 0.000 2.447 891 V HA 0.768 4.896 4.120 0.015 0.000 0.292 891 V C -0.731 175.317 176.094 -0.077 0.000 1.021 891 V CA -0.234 62.096 62.300 0.050 0.000 0.850 891 V CB 1.036 32.878 31.823 0.033 0.000 1.005 891 V HN 0.899 nan 8.190 nan 0.000 0.426 892 A N 2.983 125.697 122.820 -0.177 0.000 2.354 892 A HA 0.756 5.085 4.320 0.015 0.000 0.321 892 A C 0.865 178.444 177.584 -0.009 0.000 1.125 892 A CA -0.159 51.721 52.037 -0.260 0.000 0.799 892 A CB 1.605 20.209 19.000 -0.660 0.000 1.293 892 A HN 0.917 nan 8.150 nan 0.000 0.452 893 E N 0.902 121.097 120.200 -0.008 0.000 2.072 893 E HA -0.091 4.268 4.350 0.015 0.000 0.191 893 E C 0.470 177.135 176.600 0.109 0.000 0.985 893 E CA 0.980 57.410 56.400 0.049 0.000 0.801 893 E CB 0.085 29.799 29.700 0.023 0.000 0.750 893 E HN 0.567 nan 8.360 nan 0.000 0.452 894 R N 0.059 120.628 120.500 0.116 0.000 2.828 894 R HA 0.550 4.899 4.340 0.015 0.000 0.264 894 R C -1.041 175.435 176.300 0.294 0.000 1.022 894 R CA -0.979 55.227 56.100 0.176 0.000 1.021 894 R CB 1.940 32.318 30.300 0.129 0.000 1.163 894 R HN -0.030 nan 8.270 nan 0.000 0.494 895 V N 1.937 122.040 119.914 0.315 0.000 2.482 895 V HA 0.302 4.431 4.120 0.015 0.000 0.295 895 V C -0.433 175.937 176.094 0.461 0.000 1.026 895 V CA -0.941 61.586 62.300 0.379 0.000 0.856 895 V CB 1.736 33.727 31.823 0.281 0.000 1.001 895 V HN 0.693 nan 8.190 nan 0.000 0.424 896 N N 4.652 123.596 118.700 0.406 0.000 2.314 896 N HA 0.561 5.310 4.740 0.015 0.000 0.294 896 N C -1.307 174.471 175.510 0.447 0.000 1.029 896 N CA -0.437 52.829 53.050 0.359 0.000 0.845 896 N CB 2.738 41.323 38.487 0.164 0.000 1.321 896 N HN 0.800 nan 8.380 nan 0.000 0.481 897 W N 3.113 124.451 121.300 0.065 0.000 3.118 897 W HA 0.588 5.256 4.660 0.015 0.000 0.328 897 W C -2.087 174.398 176.519 -0.057 0.000 1.239 897 W CA -1.128 56.233 57.345 0.026 0.000 1.176 897 W CB 0.733 30.247 29.460 0.090 0.000 1.433 897 W HN 0.240 nan 8.180 nan 0.000 0.562 898 L N 4.157 125.352 121.223 -0.045 0.000 2.295 898 L HA 0.917 5.266 4.340 0.015 0.000 0.281 898 L C -0.006 176.682 176.870 -0.302 0.000 1.018 898 L CA 0.345 54.961 54.840 -0.373 0.000 0.841 898 L CB 0.691 42.627 42.059 -0.206 0.000 1.218 898 L HN 0.992 nan 8.230 nan 0.000 0.424 899 G N 3.769 112.246 108.800 -0.537 0.000 2.364 899 G HA2 0.223 4.192 3.960 0.015 0.000 0.286 899 G HA3 0.223 4.192 3.960 0.015 0.000 0.286 899 G C -1.646 173.238 174.900 -0.026 0.000 1.241 899 G CA -1.001 44.022 45.100 -0.129 0.000 0.887 899 G HN 0.418 nan 8.290 nan 0.000 0.484 900 L N 1.069 122.440 121.223 0.246 0.000 2.349 900 L HA 0.639 4.988 4.340 0.015 0.000 0.275 900 L C 1.010 177.983 176.870 0.172 0.000 1.115 900 L CA 0.634 55.587 54.840 0.189 0.000 0.820 900 L CB 0.819 42.942 42.059 0.107 0.000 1.135 900 L HN 1.152 nan 8.230 nan 0.000 0.445 901 G N 2.754 111.440 108.800 -0.190 0.000 2.341 901 G HA2 0.256 4.225 3.960 0.015 0.000 0.299 901 G HA3 0.256 4.225 3.960 0.015 0.000 0.299 901 G C -2.781 171.320 174.900 -1.332 0.000 1.274 901 G CA -0.292 44.375 45.100 -0.722 0.000 0.853 901 G HN 0.308 nan 8.290 nan 0.000 0.493 902 P HA 0.101 nan 4.420 nan 0.000 0.239 902 P C 0.451 177.554 177.300 -0.328 0.000 1.188 902 P CA 0.533 62.979 63.100 -1.091 0.000 0.794 902 P CB 0.502 31.679 31.700 -0.872 0.000 0.937 903 Q N 0.526 120.121 119.800 -0.340 0.000 2.318 903 Q HA 0.154 4.503 4.340 0.015 0.000 0.222 903 Q C 0.390 176.273 176.000 -0.196 0.000 1.003 903 Q CA -0.616 55.066 55.803 -0.203 0.000 0.936 903 Q CB 0.669 29.312 28.738 -0.159 0.000 1.204 903 Q HN 0.121 nan 8.270 nan 0.000 0.524 904 E N 1.310 121.402 120.200 -0.181 0.000 2.529 904 E HA -0.109 4.250 4.350 0.015 0.000 0.259 904 E C -1.154 175.349 176.600 -0.161 0.000 0.966 904 E CA 0.262 56.538 56.400 -0.206 0.000 0.937 904 E CB 0.235 29.878 29.700 -0.095 0.000 0.923 904 E HN 0.584 nan 8.360 nan 0.000 0.468 905 N N 2.795 121.319 118.700 -0.293 0.000 2.331 905 N HA 0.356 5.105 4.740 0.015 0.000 0.280 905 N C -1.816 173.470 175.510 -0.374 0.000 1.155 905 N CA -0.687 52.249 53.050 -0.190 0.000 0.822 905 N CB 0.815 39.219 38.487 -0.139 0.000 1.619 905 N HN 0.270 nan 8.380 nan 0.000 0.476 906 Y N -0.239 119.972 120.300 -0.149 0.000 2.633 906 Y HA 0.496 5.055 4.550 0.015 0.000 0.339 906 Y C -1.669 174.163 175.900 -0.112 0.000 1.045 906 Y CA -2.014 55.984 58.100 -0.171 0.000 1.098 906 Y CB 2.014 40.366 38.460 -0.179 0.000 1.296 906 Y HN 0.436 nan 8.280 nan 0.000 0.494 907 P HA -0.187 nan 4.420 nan 0.000 0.216 907 P C 0.385 177.615 177.300 -0.118 0.000 1.154 907 P CA 2.236 65.407 63.100 0.120 0.000 0.865 907 P CB 0.184 32.072 31.700 0.313 0.000 0.789 908 D N -2.402 117.661 120.400 -0.561 0.000 2.340 908 D HA -0.000 4.648 4.640 0.015 0.000 0.217 908 D C 0.746 176.880 176.300 -0.277 0.000 1.081 908 D CA 0.132 53.556 54.000 -0.960 0.000 0.842 908 D CB -0.267 39.769 40.800 -1.274 0.000 0.934 908 D HN 0.130 nan 8.370 nan 0.000 0.511 909 R N 1.034 121.484 120.500 -0.085 0.000 2.627 909 R HA 0.194 4.542 4.340 0.015 0.000 0.251 909 R C -0.605 175.726 176.300 0.051 0.000 1.524 909 R CA -0.151 55.963 56.100 0.024 0.000 1.606 909 R CB 0.054 30.373 30.300 0.031 0.000 1.396 909 R HN 0.101 nan 8.270 nan 0.000 0.724 910 L N -1.943 119.317 121.223 0.062 0.000 3.386 910 L HA 0.338 4.686 4.340 0.015 0.000 0.307 910 L C 1.324 178.243 176.870 0.082 0.000 1.235 910 L CA 0.097 54.969 54.840 0.054 0.000 1.056 910 L CB 0.152 42.235 42.059 0.041 0.000 1.453 910 L HN 0.070 nan 8.230 nan 0.000 0.615 911 T N -2.605 112.024 114.554 0.125 0.000 2.833 911 T HA -0.001 4.358 4.350 0.015 0.000 0.269 911 T C 1.786 176.489 174.700 0.005 0.000 1.054 911 T CA 1.329 63.519 62.100 0.151 0.000 1.135 911 T CB -0.331 68.695 68.868 0.264 0.000 0.869 911 T HN 0.389 nan 8.240 nan 0.000 0.466 912 A N 1.678 124.504 122.820 0.009 0.000 2.067 912 A HA 0.643 4.972 4.320 0.015 0.000 0.217 912 A C 1.660 179.295 177.584 0.085 0.000 1.156 912 A CA 0.513 52.477 52.037 -0.123 0.000 0.683 912 A CB -0.957 18.154 19.000 0.185 0.000 0.808 912 A HN 0.832 nan 8.150 nan 0.000 0.455 913 A N -1.019 121.814 122.820 0.021 0.000 2.445 913 A HA 0.418 4.747 4.320 0.015 0.000 0.242 913 A C 0.075 177.671 177.584 0.021 0.000 1.075 913 A CA 0.010 52.026 52.037 -0.035 0.000 0.777 913 A CB -0.193 18.779 19.000 -0.047 0.000 1.013 913 A HN 0.485 nan 8.150 nan 0.000 0.493 914 C N 0.778 120.084 119.300 0.011 0.000 2.493 914 C HA 0.529 4.998 4.460 0.015 0.000 0.326 914 C C -0.029 175.061 174.990 0.168 0.000 1.200 914 C CA -0.454 58.631 59.018 0.112 0.000 1.739 914 C CB 0.673 28.504 27.740 0.152 0.000 2.300 914 C HN 0.782 nan 8.230 nan 0.000 0.500 915 F N 3.984 123.786 119.950 -0.246 0.000 2.444 915 F HA 0.444 4.980 4.527 0.015 0.000 0.360 915 F C 0.416 175.896 175.800 -0.533 0.000 1.106 915 F CA 1.195 58.895 58.000 -0.500 0.000 1.170 915 F CB -0.092 38.071 39.000 -1.394 0.000 1.113 915 F HN 0.641 nan 8.300 nan 0.000 0.521 916 D N 3.300 123.056 120.400 -1.073 0.000 3.010 916 D HA 0.159 4.808 4.640 0.015 0.000 0.353 916 D C -1.695 173.713 176.300 -1.486 0.000 1.415 916 D CA -0.726 52.580 54.000 -1.156 0.000 0.864 916 D CB 1.421 41.508 40.800 -1.188 0.000 1.445 916 D HN 0.438 nan 8.370 nan 0.000 0.516 917 R N 0.619 120.315 120.500 -1.340 0.000 2.255 917 R HA 0.539 4.888 4.340 0.015 0.000 0.326 917 R C -1.482 174.031 176.300 -1.312 0.000 0.986 917 R CA -0.197 55.261 56.100 -1.070 0.000 0.847 917 R CB 0.317 30.249 30.300 -0.613 0.000 1.111 917 R HN 0.294 nan 8.270 nan 0.000 0.452 918 W N 2.386 123.142 121.300 -0.907 0.000 2.719 918 W HA 0.475 5.144 4.660 0.015 0.000 0.352 918 W C -0.521 175.617 176.519 -0.635 0.000 1.085 918 W CA -0.619 56.143 57.345 -0.971 0.000 1.187 918 W CB 1.728 30.094 29.460 -1.823 0.000 1.417 918 W HN 0.383 nan 8.180 nan 0.000 0.557 919 D N 2.122 122.495 120.400 -0.044 0.000 2.591 919 D HA 0.360 5.009 4.640 0.015 0.000 0.222 919 D C -1.632 174.776 176.300 0.179 0.000 1.360 919 D CA -0.128 53.942 54.000 0.116 0.000 0.967 919 D CB 0.893 41.710 40.800 0.028 0.000 1.456 919 D HN 0.374 nan 8.370 nan 0.000 0.588 920 L N 2.914 124.315 121.223 0.296 0.000 2.327 920 L HA 0.590 4.939 4.340 0.015 0.000 0.258 920 L C -2.273 174.716 176.870 0.198 0.000 1.024 920 L CA -2.160 52.820 54.840 0.233 0.000 0.825 920 L CB 2.633 44.871 42.059 0.298 0.000 1.386 920 L HN 0.170 nan 8.230 nan 0.000 0.417 921 P HA 0.024 nan 4.420 nan 0.000 0.271 921 P C 0.544 177.920 177.300 0.127 0.000 1.218 921 P CA -0.342 62.828 63.100 0.118 0.000 0.780 921 P CB 0.956 32.705 31.700 0.082 0.000 0.901 922 L N 3.449 124.751 121.223 0.131 0.000 2.043 922 L HA -0.255 4.094 4.340 0.015 0.000 0.212 922 L C 2.300 179.217 176.870 0.079 0.000 1.075 922 L CA 2.785 57.694 54.840 0.115 0.000 0.752 922 L CB -1.504 40.639 42.059 0.139 0.000 0.891 922 L HN 0.464 nan 8.230 nan 0.000 0.432 923 S N -1.868 113.880 115.700 0.080 0.000 2.419 923 S HA -0.184 4.295 4.470 0.015 0.000 0.233 923 S C 1.651 176.321 174.600 0.115 0.000 1.016 923 S CA 1.116 59.380 58.200 0.106 0.000 0.974 923 S CB -0.805 62.451 63.200 0.094 0.000 0.786 923 S HN 0.521 nan 8.310 nan 0.000 0.492 924 D N 1.159 121.602 120.400 0.072 0.000 2.350 924 D HA 0.057 4.706 4.640 0.015 0.000 0.216 924 D C 1.259 177.557 176.300 -0.002 0.000 0.968 924 D CA 0.699 54.720 54.000 0.034 0.000 0.894 924 D CB -0.151 40.681 40.800 0.053 0.000 0.909 924 D HN 0.380 nan 8.370 nan 0.000 0.520 925 M N -0.609 118.999 119.600 0.013 0.000 2.495 925 M HA 0.052 4.541 4.480 0.015 0.000 0.237 925 M C 0.003 176.301 176.300 -0.005 0.000 1.131 925 M CA -0.064 55.198 55.300 -0.063 0.000 1.032 925 M CB -0.749 31.803 32.600 -0.081 0.000 1.513 925 M HN -0.057 nan 8.290 nan 0.000 0.488 926 Y N 0.248 120.504 120.300 -0.073 0.000 2.364 926 Y HA 0.492 5.051 4.550 0.015 0.000 0.340 926 Y C -0.657 175.187 175.900 -0.093 0.000 0.975 926 Y CA -0.926 57.149 58.100 -0.042 0.000 1.089 926 Y CB 1.214 39.712 38.460 0.064 0.000 1.192 926 Y HN -0.126 nan 8.280 nan 0.000 0.454 927 T N 9.047 123.159 114.554 -0.736 0.000 2.756 927 T HA 0.283 4.642 4.350 0.015 0.000 0.290 927 T C -2.633 171.316 174.700 -1.252 0.000 0.985 927 T CA -1.492 60.095 62.100 -0.856 0.000 0.955 927 T CB 1.130 69.548 68.868 -0.750 0.000 0.930 927 T HN 0.468 nan 8.240 nan 0.000 0.451 928 P HA 0.132 nan 4.420 nan 0.000 0.218 928 P C -0.610 176.562 177.300 -0.213 0.000 1.793 928 P CA -0.473 62.211 63.100 -0.694 0.000 0.941 928 P CB -0.727 30.694 31.700 -0.465 0.000 1.919 929 Y N -0.296 119.953 120.300 -0.085 0.000 2.810 929 Y HA -0.115 4.444 4.550 0.015 0.000 0.332 929 Y C 2.278 178.227 175.900 0.083 0.000 1.243 929 Y CA -0.417 57.671 58.100 -0.019 0.000 1.537 929 Y CB 0.476 38.854 38.460 -0.136 0.000 1.265 929 Y HN -0.087 nan 8.280 nan 0.000 0.572 930 V N 3.841 123.961 119.914 0.345 0.000 2.332 930 V HA -0.301 3.828 4.120 0.015 0.000 0.248 930 V C 0.507 176.781 176.094 0.301 0.000 1.055 930 V CA 1.408 63.904 62.300 0.325 0.000 1.038 930 V CB -0.538 31.513 31.823 0.379 0.000 0.651 930 V HN 0.579 nan 8.190 nan 0.000 0.450 931 F N 3.058 123.052 119.950 0.072 0.000 2.371 931 F HA 0.529 5.065 4.527 0.015 0.000 0.363 931 F C -2.496 173.303 175.800 -0.001 0.000 1.122 931 F CA -3.511 54.480 58.000 -0.015 0.000 1.129 931 F CB 0.809 39.690 39.000 -0.197 0.000 1.173 931 F HN -0.018 nan 8.300 nan 0.000 0.489 932 P HA 0.272 nan 4.420 nan 0.000 0.271 932 P C -1.051 175.928 177.300 -0.535 0.000 1.218 932 P CA 0.051 62.904 63.100 -0.412 0.000 0.780 932 P CB 1.258 32.731 31.700 -0.378 0.000 0.901 933 S N -0.149 115.434 115.700 -0.194 0.000 2.683 933 S HA 0.425 4.904 4.470 0.015 0.000 0.269 933 S C -0.872 173.715 174.600 -0.021 0.000 1.165 933 S CA -0.948 57.178 58.200 -0.123 0.000 0.840 933 S CB 0.379 63.537 63.200 -0.070 0.000 1.169 933 S HN 0.343 nan 8.310 nan 0.000 0.490 934 E N 1.137 121.337 120.200 0.001 0.000 2.481 934 E HA 0.364 4.723 4.350 0.015 0.000 0.263 934 E C -0.150 176.509 176.600 0.099 0.000 0.992 934 E CA 0.886 57.318 56.400 0.053 0.000 0.938 934 E CB -0.141 29.616 29.700 0.094 0.000 0.933 934 E HN 0.818 nan 8.360 nan 0.000 0.453 935 N N 1.216 120.005 118.700 0.149 0.000 3.046 935 N HA 0.463 5.212 4.740 0.015 0.000 0.243 935 N C 0.168 175.725 175.510 0.079 0.000 1.452 935 N CA -0.544 52.629 53.050 0.205 0.000 0.882 935 N CB 0.832 39.427 38.487 0.179 0.000 1.425 935 N HN 0.741 nan 8.380 nan 0.000 0.517 936 G N -1.240 107.562 108.800 0.003 0.000 2.168 936 G HA2 -0.280 3.689 3.960 0.015 0.000 0.263 936 G HA3 -0.280 3.689 3.960 0.015 0.000 0.263 936 G C -0.153 174.486 174.900 -0.435 0.000 0.977 936 G CA 0.531 45.514 45.100 -0.194 0.000 0.659 936 G HN 0.733 nan 8.290 nan 0.000 0.533 937 L N -0.082 120.818 121.223 -0.537 0.000 2.506 937 L HA 0.629 4.978 4.340 0.015 0.000 0.281 937 L C 0.706 176.980 176.870 -0.994 0.000 1.228 937 L CA 0.479 54.765 54.840 -0.924 0.000 0.850 937 L CB 0.521 41.709 42.059 -1.453 0.000 1.110 937 L HN 0.265 nan 8.230 nan 0.000 0.496 938 R N 2.447 122.263 120.500 -1.141 0.000 2.561 938 R HA 0.512 4.861 4.340 0.015 0.000 0.297 938 R C -0.908 175.022 176.300 -0.615 0.000 0.969 938 R CA -0.287 55.277 56.100 -0.895 0.000 0.879 938 R CB 1.421 31.052 30.300 -1.114 0.000 1.178 938 R HN 0.736 nan 8.270 nan 0.000 0.445 939 C N 0.235 119.334 119.300 -0.336 0.000 2.484 939 C HA 0.693 5.162 4.460 0.015 0.000 0.409 939 C C 1.262 176.232 174.990 -0.034 0.000 1.434 939 C CA 0.013 58.919 59.018 -0.187 0.000 1.913 939 C CB 1.224 28.884 27.740 -0.133 0.000 2.028 939 C HN 1.019 nan 8.230 nan 0.000 0.516 940 G N 1.628 110.423 108.800 -0.009 0.000 2.379 940 G HA2 -0.187 3.782 3.960 0.015 0.000 0.297 940 G HA3 -0.187 3.782 3.960 0.015 0.000 0.297 940 G C -0.049 174.914 174.900 0.104 0.000 1.004 940 G CA 0.672 45.819 45.100 0.078 0.000 0.921 940 G HN 0.787 nan 8.290 nan 0.000 0.511 941 T N -0.118 114.369 114.554 -0.111 0.000 2.799 941 T HA 0.542 4.901 4.350 0.015 0.000 0.286 941 T C 1.247 175.634 174.700 -0.522 0.000 0.973 941 T CA -0.635 61.335 62.100 -0.216 0.000 1.035 941 T CB 1.463 70.245 68.868 -0.144 0.000 0.932 941 T HN 0.195 nan 8.240 nan 0.000 0.469 942 R N 1.409 121.819 120.500 -0.149 0.000 2.307 942 R HA 0.308 4.657 4.340 0.015 0.000 0.200 942 R C 0.428 176.754 176.300 0.043 0.000 0.893 942 R CA 0.135 56.207 56.100 -0.047 0.000 1.042 942 R CB 0.371 30.779 30.300 0.180 0.000 1.059 942 R HN 0.734 nan 8.270 nan 0.000 0.530 943 E N 0.407 120.648 120.200 0.069 0.000 2.347 943 E HA 0.303 4.662 4.350 0.015 0.000 0.285 943 E C -1.907 174.846 176.600 0.255 0.000 0.925 943 E CA -0.616 55.917 56.400 0.222 0.000 0.779 943 E CB 1.394 31.182 29.700 0.148 0.000 1.233 943 E HN -0.076 nan 8.360 nan 0.000 0.414 944 L N 3.927 125.360 121.223 0.350 0.000 2.408 944 L HA 0.618 4.967 4.340 0.015 0.000 0.268 944 L C -1.820 175.245 176.870 0.326 0.000 0.986 944 L CA -0.388 54.593 54.840 0.236 0.000 0.820 944 L CB 1.848 43.902 42.059 -0.008 0.000 1.303 944 L HN 0.492 nan 8.230 nan 0.000 0.411 945 N N 4.346 123.212 118.700 0.277 0.000 2.314 945 N HA 0.410 5.159 4.740 0.015 0.000 0.294 945 N C -1.990 173.749 175.510 0.382 0.000 1.029 945 N CA -0.267 52.944 53.050 0.268 0.000 0.845 945 N CB 2.233 40.819 38.487 0.164 0.000 1.321 945 N HN 0.622 nan 8.380 nan 0.000 0.481 946 Y N 1.153 121.594 120.300 0.235 0.000 2.323 946 Y HA 0.394 4.953 4.550 0.015 0.000 0.322 946 Y C 0.581 176.583 175.900 0.170 0.000 1.133 946 Y CA 0.147 58.383 58.100 0.226 0.000 1.093 946 Y CB 0.575 39.227 38.460 0.321 0.000 1.203 946 Y HN 0.861 nan 8.280 nan 0.000 0.427 947 G N 6.488 115.110 108.800 -0.296 0.000 2.583 947 G HA2 -0.304 3.665 3.960 0.015 0.000 0.292 947 G HA3 -0.304 3.665 3.960 0.015 0.000 0.292 947 G C -1.714 173.060 174.900 -0.210 0.000 1.203 947 G CA 0.143 45.052 45.100 -0.319 0.000 0.987 947 G HN 0.582 nan 8.290 nan 0.000 0.554 948 P HA 0.147 nan 4.420 nan 0.000 0.240 948 P C 0.327 177.431 177.300 -0.327 0.000 1.190 948 P CA 0.793 63.693 63.100 -0.333 0.000 0.781 948 P CB 0.014 31.448 31.700 -0.443 0.000 0.931 949 H N 0.424 119.434 119.070 -0.099 0.000 2.505 949 H HA 0.432 4.997 4.556 0.015 0.000 0.351 949 H C 0.011 175.056 175.328 -0.473 0.000 1.151 949 H CA 0.088 55.943 56.048 -0.322 0.000 1.339 949 H CB 1.382 30.781 29.762 -0.605 0.000 1.483 949 H HN 0.082 nan 8.280 nan 0.000 0.558 950 Q N 2.486 121.997 119.800 -0.482 0.000 2.285 950 Q HA 0.218 4.567 4.340 0.015 0.000 0.269 950 Q C -1.536 174.163 176.000 -0.503 0.000 1.030 950 Q CA -0.673 54.946 55.803 -0.307 0.000 0.788 950 Q CB 1.842 30.546 28.738 -0.057 0.000 1.266 950 Q HN 0.575 nan 8.270 nan 0.000 0.438 951 W N 3.872 125.112 121.300 -0.100 0.000 2.573 951 W HA 0.588 5.257 4.660 0.015 0.000 0.326 951 W C -0.111 176.475 176.519 0.110 0.000 1.049 951 W CA -0.743 56.509 57.345 -0.155 0.000 1.220 951 W CB 1.861 31.010 29.460 -0.519 0.000 1.373 951 W HN 0.521 nan 8.180 nan 0.000 0.507 952 R N 0.547 121.269 120.500 0.370 0.000 2.744 952 R HA 0.781 5.130 4.340 0.015 0.000 0.279 952 R C 0.175 176.760 176.300 0.475 0.000 0.977 952 R CA -0.454 55.899 56.100 0.422 0.000 0.906 952 R CB 2.407 32.861 30.300 0.256 0.000 1.197 952 R HN 0.742 nan 8.270 nan 0.000 0.463 953 G N 0.544 109.629 108.800 0.476 0.000 2.591 953 G HA2 0.040 4.009 3.960 0.015 0.000 0.104 953 G HA3 0.040 4.009 3.960 0.015 0.000 0.104 953 G C -1.728 173.305 174.900 0.223 0.000 1.097 953 G CA -0.282 45.057 45.100 0.397 0.000 1.076 953 G HN 0.495 nan 8.290 nan 0.000 0.485 954 D N 0.023 120.548 120.400 0.208 0.000 2.527 954 D HA 0.538 5.187 4.640 0.015 0.000 0.242 954 D C -0.742 175.559 176.300 0.001 0.000 1.285 954 D CA -0.461 53.541 54.000 0.003 0.000 0.886 954 D CB 0.027 40.870 40.800 0.072 0.000 1.402 954 D HN 0.515 nan 8.370 nan 0.000 0.528 955 F N -0.345 119.598 119.950 -0.013 0.000 2.691 955 F HA 0.774 5.310 4.527 0.015 0.000 0.334 955 F C -0.726 175.034 175.800 -0.067 0.000 1.107 955 F CA -0.997 56.933 58.000 -0.117 0.000 0.991 955 F CB 0.808 39.739 39.000 -0.116 0.000 1.400 955 F HN -0.202 nan 8.300 nan 0.000 0.503 956 Q N 1.531 121.415 119.800 0.141 0.000 2.348 956 Q HA 0.651 5.000 4.340 0.015 0.000 0.271 956 Q C -1.240 174.847 176.000 0.145 0.000 1.067 956 Q CA -0.576 55.225 55.803 -0.003 0.000 0.839 956 Q CB 2.668 31.300 28.738 -0.176 0.000 1.354 956 Q HN 0.868 nan 8.270 nan 0.000 0.447 957 F N -1.207 118.636 119.950 -0.179 0.000 2.693 957 F HA 0.711 5.247 4.527 0.015 0.000 0.309 957 F C -1.557 174.030 175.800 -0.354 0.000 1.129 957 F CA -1.113 56.738 58.000 -0.249 0.000 0.948 957 F CB 1.399 40.273 39.000 -0.210 0.000 1.315 957 F HN 0.567 nan 8.300 nan 0.000 0.447 958 N N 1.856 120.411 118.700 -0.242 0.000 2.321 958 N HA 0.784 5.533 4.740 0.015 0.000 0.290 958 N C -2.027 173.433 175.510 -0.083 0.000 1.212 958 N CA -0.812 52.063 53.050 -0.292 0.000 0.767 958 N CB 2.742 41.063 38.487 -0.278 0.000 1.494 958 N HN 1.124 nan 8.380 nan 0.000 0.479 959 I N 0.155 120.663 120.570 -0.103 0.000 2.649 959 I HA 0.625 4.804 4.170 0.015 0.000 0.289 959 I C -1.509 174.528 176.117 -0.134 0.000 1.222 959 I CA 0.045 61.251 61.300 -0.157 0.000 1.046 959 I CB 1.321 39.164 38.000 -0.261 0.000 1.272 959 I HN 1.062 nan 8.210 nan 0.000 0.425 960 S N 6.206 121.841 115.700 -0.108 0.000 2.655 960 S HA 0.525 5.004 4.470 0.015 0.000 0.266 960 S C -0.322 174.176 174.600 -0.169 0.000 1.149 960 S CA -0.964 57.163 58.200 -0.121 0.000 0.818 960 S CB 1.730 64.913 63.200 -0.028 0.000 1.130 960 S HN 0.617 nan 8.310 nan 0.000 0.476 961 R N -0.049 120.182 120.500 -0.448 0.000 2.356 961 R HA 0.295 4.644 4.340 0.015 0.000 0.234 961 R C -0.993 175.000 176.300 -0.512 0.000 0.929 961 R CA 0.231 56.065 56.100 -0.443 0.000 1.084 961 R CB -1.135 28.770 30.300 -0.658 0.000 1.105 961 R HN 0.655 nan 8.270 nan 0.000 0.515 962 Y N -0.149 120.106 120.300 -0.076 0.000 2.376 962 Y HA 0.230 4.788 4.550 0.015 0.000 0.340 962 Y C 0.696 176.365 175.900 -0.385 0.000 0.965 962 Y CA -1.168 56.797 58.100 -0.226 0.000 1.078 962 Y CB 1.426 39.696 38.460 -0.317 0.000 1.193 962 Y HN -0.100 nan 8.280 nan 0.000 0.452 963 S N 1.665 117.023 115.700 -0.570 0.000 2.593 963 S HA 0.046 4.525 4.470 0.015 0.000 0.269 963 S C 0.874 175.129 174.600 -0.574 0.000 1.334 963 S CA -0.735 56.780 58.200 -1.141 0.000 1.015 963 S CB 1.167 63.595 63.200 -1.287 0.000 0.912 963 S HN 0.741 nan 8.310 nan 0.000 0.541 964 Q N 0.914 120.393 119.800 -0.535 0.000 2.135 964 Q HA -0.216 4.133 4.340 0.015 0.000 0.204 964 Q C 2.210 178.061 176.000 -0.249 0.000 0.981 964 Q CA 1.936 57.568 55.803 -0.286 0.000 0.856 964 Q CB -0.547 28.064 28.738 -0.212 0.000 0.902 964 Q HN 0.976 nan 8.270 nan 0.000 0.425 965 Q N 0.543 120.162 119.800 -0.302 0.000 2.084 965 Q HA -0.215 4.134 4.340 0.015 0.000 0.202 965 Q C 2.133 178.019 176.000 -0.190 0.000 0.978 965 Q CA 1.466 57.149 55.803 -0.200 0.000 0.844 965 Q CB 0.038 28.667 28.738 -0.182 0.000 0.898 965 Q HN 0.394 nan 8.270 nan 0.000 0.426 966 Q N -0.048 119.606 119.800 -0.243 0.000 2.084 966 Q HA -0.160 4.189 4.340 0.015 0.000 0.202 966 Q C 2.200 178.063 176.000 -0.228 0.000 0.978 966 Q CA 1.265 56.938 55.803 -0.217 0.000 0.844 966 Q CB -0.039 28.543 28.738 -0.260 0.000 0.898 966 Q HN 0.468 nan 8.270 nan 0.000 0.426 967 L N 0.046 121.128 121.223 -0.236 0.000 2.042 967 L HA -0.209 4.140 4.340 0.015 0.000 0.210 967 L C 2.656 179.379 176.870 -0.245 0.000 1.076 967 L CA 1.146 55.839 54.840 -0.244 0.000 0.749 967 L CB -0.371 41.578 42.059 -0.184 0.000 0.893 967 L HN 0.373 nan 8.230 nan 0.000 0.432 968 M N -0.541 118.947 119.600 -0.187 0.000 2.319 968 M HA -0.161 4.328 4.480 0.015 0.000 0.265 968 M C 1.537 177.753 176.300 -0.140 0.000 1.068 968 M CA 1.591 56.796 55.300 -0.158 0.000 1.118 968 M CB 0.125 32.647 32.600 -0.130 0.000 1.395 968 M HN 0.205 nan 8.290 nan 0.000 0.435 969 E N -0.669 119.450 120.200 -0.136 0.000 2.474 969 E HA 0.058 4.417 4.350 0.015 0.000 0.195 969 E C -0.456 176.088 176.600 -0.092 0.000 1.039 969 E CA 0.064 56.409 56.400 -0.091 0.000 0.881 969 E CB 0.557 30.212 29.700 -0.074 0.000 0.970 969 E HN 0.271 nan 8.360 nan 0.000 0.486 970 T N 0.216 114.676 114.554 -0.157 0.000 2.786 970 T HA 0.083 4.442 4.350 0.015 0.000 0.283 970 T C 1.002 175.599 174.700 -0.173 0.000 0.992 970 T CA -0.477 61.533 62.100 -0.149 0.000 0.954 970 T CB 1.645 70.392 68.868 -0.203 0.000 0.934 970 T HN 0.018 nan 8.240 nan 0.000 0.440 971 S N 1.953 117.652 115.700 -0.001 0.000 2.496 971 S HA 0.048 4.527 4.470 0.015 0.000 0.224 971 S C 0.309 174.979 174.600 0.117 0.000 0.996 971 S CA 0.380 58.663 58.200 0.138 0.000 0.927 971 S CB -0.249 63.181 63.200 0.382 0.000 0.774 971 S HN 0.735 nan 8.310 nan 0.000 0.524 972 H N 0.461 119.526 119.070 -0.009 0.000 2.679 972 H HA 0.501 5.066 4.556 0.015 0.000 0.360 972 H C 0.939 176.227 175.328 -0.066 0.000 1.105 972 H CA -0.760 55.331 56.048 0.072 0.000 1.196 972 H CB 1.526 31.306 29.762 0.030 0.000 1.636 972 H HN 0.133 nan 8.280 nan 0.000 0.531 973 R N 1.954 122.555 120.500 0.168 0.000 2.152 973 R HA -0.158 4.191 4.340 0.015 0.000 0.232 973 R C 1.156 177.459 176.300 0.005 0.000 1.117 973 R CA 1.790 57.920 56.100 0.049 0.000 0.981 973 R CB -0.394 29.981 30.300 0.124 0.000 0.870 973 R HN 0.776 nan 8.270 nan 0.000 0.451 974 H N 1.069 120.138 119.070 -0.000 0.000 2.521 974 H HA 0.019 4.584 4.556 0.015 0.000 0.286 974 H C 1.475 176.719 175.328 -0.140 0.000 1.034 974 H CA 0.800 56.808 56.048 -0.068 0.000 1.278 974 H CB -0.136 29.578 29.762 -0.080 0.000 1.386 974 H HN 0.323 nan 8.280 nan 0.000 0.567 975 L N 0.906 121.715 121.223 -0.691 0.000 2.592 975 L HA 0.202 4.551 4.340 0.015 0.000 0.227 975 L C 0.706 177.427 176.870 -0.248 0.000 1.127 975 L CA -0.138 54.392 54.840 -0.516 0.000 0.884 975 L CB 0.066 41.793 42.059 -0.553 0.000 1.065 975 L HN 0.047 nan 8.230 nan 0.000 0.457 976 L N 1.013 122.077 121.223 -0.265 0.000 2.439 976 L HA 0.125 4.474 4.340 0.015 0.000 0.269 976 L C 0.259 177.086 176.870 -0.073 0.000 1.179 976 L CA -0.036 54.618 54.840 -0.310 0.000 0.828 976 L CB 0.296 41.925 42.059 -0.718 0.000 1.106 976 L HN 0.210 nan 8.230 nan 0.000 0.467 977 H N 1.490 120.585 119.070 0.042 0.000 2.637 977 H HA 0.622 5.187 4.556 0.015 0.000 0.363 977 H C -0.764 174.681 175.328 0.196 0.000 1.131 977 H CA -1.244 54.865 56.048 0.102 0.000 1.183 977 H CB 1.410 31.183 29.762 0.019 0.000 1.637 977 H HN 0.679 nan 8.280 nan 0.000 0.531 978 A N 3.362 126.288 122.820 0.177 0.000 2.511 978 A HA 0.102 4.431 4.320 0.015 0.000 0.242 978 A C 0.330 177.954 177.584 0.067 0.000 1.069 978 A CA -0.186 51.800 52.037 -0.085 0.000 0.763 978 A CB -0.013 18.911 19.000 -0.128 0.000 1.001 978 A HN 0.857 nan 8.150 nan 0.000 0.498 979 E N 0.729 120.939 120.200 0.017 0.000 2.359 979 E HA 0.230 4.589 4.350 0.015 0.000 0.255 979 E C -0.043 176.603 176.600 0.077 0.000 1.191 979 E CA -0.688 55.807 56.400 0.157 0.000 0.952 979 E CB 0.640 30.509 29.700 0.282 0.000 1.152 979 E HN 0.792 nan 8.360 nan 0.000 0.496 980 E N 0.100 120.342 120.200 0.069 0.000 2.392 980 E HA 0.206 4.565 4.350 0.015 0.000 0.264 980 E C 0.298 176.869 176.600 -0.048 0.000 1.024 980 E CA 0.547 56.950 56.400 0.005 0.000 0.903 980 E CB 0.417 30.115 29.700 -0.003 0.000 0.963 980 E HN 0.660 nan 8.360 nan 0.000 0.432 981 G N 2.588 111.358 108.800 -0.049 0.000 2.692 981 G HA2 -0.239 3.730 3.960 0.015 0.000 0.248 981 G HA3 -0.239 3.730 3.960 0.015 0.000 0.248 981 G C -0.608 174.240 174.900 -0.087 0.000 1.340 981 G CA -0.114 44.942 45.100 -0.074 0.000 0.896 981 G HN 0.598 nan 8.290 nan 0.000 0.570 982 T N 0.189 114.673 114.554 -0.117 0.000 2.841 982 T HA 0.496 4.855 4.350 0.015 0.000 0.285 982 T C -0.648 173.898 174.700 -0.255 0.000 0.991 982 T CA -0.160 61.872 62.100 -0.114 0.000 0.966 982 T CB 1.350 70.225 68.868 0.011 0.000 0.962 982 T HN 0.553 nan 8.240 nan 0.000 0.438 983 W N 3.233 124.439 121.300 -0.157 0.000 2.335 983 W HA 0.562 5.231 4.660 0.015 0.000 0.306 983 W C -0.225 176.158 176.519 -0.227 0.000 1.216 983 W CA -0.684 56.564 57.345 -0.162 0.000 1.237 983 W CB 0.642 30.018 29.460 -0.139 0.000 1.243 983 W HN 0.385 nan 8.180 nan 0.000 0.493 984 L N 5.804 127.003 121.223 -0.041 0.000 2.305 984 L HA 0.494 4.843 4.340 0.015 0.000 0.284 984 L C -0.872 175.894 176.870 -0.174 0.000 1.013 984 L CA -0.385 54.313 54.840 -0.238 0.000 0.819 984 L CB 0.722 42.475 42.059 -0.510 0.000 1.227 984 L HN 0.304 nan 8.230 nan 0.000 0.417 985 N N 6.958 125.552 118.700 -0.177 0.000 2.479 985 N HA 0.446 5.195 4.740 0.015 0.000 0.261 985 N C -1.167 174.205 175.510 -0.230 0.000 0.979 985 N CA -0.210 52.738 53.050 -0.169 0.000 0.930 985 N CB 2.125 40.541 38.487 -0.117 0.000 1.172 985 N HN 0.564 nan 8.380 nan 0.000 0.499 986 I N 1.945 122.331 120.570 -0.308 0.000 2.382 986 I HA 0.221 4.400 4.170 0.015 0.000 0.286 986 I C -0.617 175.317 176.117 -0.304 0.000 1.002 986 I CA -0.601 60.485 61.300 -0.357 0.000 1.135 986 I CB 1.496 39.095 38.000 -0.667 0.000 1.288 986 I HN 0.171 nan 8.210 nan 0.000 0.448 987 D N 4.596 124.855 120.400 -0.234 0.000 2.185 987 D HA 0.276 4.925 4.640 0.015 0.000 0.247 987 D C 0.915 176.912 176.300 -0.506 0.000 1.027 987 D CA -0.245 53.550 54.000 -0.343 0.000 0.861 987 D CB 2.455 43.153 40.800 -0.171 0.000 1.202 987 D HN 0.691 nan 8.370 nan 0.000 0.453 988 G N 0.902 109.102 108.800 -1.000 0.000 2.408 988 G HA2 0.013 3.982 3.960 0.015 0.000 0.215 988 G HA3 0.013 3.982 3.960 0.015 0.000 0.215 988 G C 0.072 174.230 174.900 -1.238 0.000 1.156 988 G CA 0.503 44.862 45.100 -1.234 0.000 0.793 988 G HN 0.364 nan 8.290 nan 0.000 0.535 989 F N -2.032 117.711 119.950 -0.344 0.000 2.601 989 F HA 0.597 5.133 4.527 0.015 0.000 0.309 989 F C -0.587 175.114 175.800 -0.166 0.000 1.089 989 F CA -1.176 56.707 58.000 -0.195 0.000 0.940 989 F CB 2.152 40.968 39.000 -0.307 0.000 1.273 989 F HN 0.028 nan 8.300 nan 0.000 0.450 990 H N 1.761 120.837 119.070 0.009 0.000 2.865 990 H HA 0.524 5.089 4.556 0.015 0.000 0.362 990 H C -0.807 174.548 175.328 0.045 0.000 1.114 990 H CA -0.857 55.175 56.048 -0.026 0.000 1.208 990 H CB 1.824 31.565 29.762 -0.035 0.000 1.727 990 H HN 0.768 nan 8.280 nan 0.000 0.534 991 M N 3.395 122.952 119.600 -0.072 0.000 2.245 991 M HA 0.265 4.754 4.480 0.015 0.000 0.330 991 M C 0.550 176.967 176.300 0.194 0.000 1.098 991 M CA 0.364 55.684 55.300 0.034 0.000 1.172 991 M CB 0.349 32.863 32.600 -0.144 0.000 1.467 991 M HN 0.844 nan 8.290 nan 0.000 0.454 992 G N 2.813 111.710 108.800 0.162 0.000 2.699 992 G HA2 0.274 4.243 3.960 0.015 0.000 0.246 992 G HA3 0.274 4.243 3.960 0.015 0.000 0.246 992 G C 0.588 175.471 174.900 -0.029 0.000 1.219 992 G CA -0.344 44.785 45.100 0.049 0.000 0.866 992 G HN 0.973 nan 8.290 nan 0.000 0.572 993 I N -1.938 118.558 120.570 -0.123 0.000 3.645 993 I HA 0.418 4.597 4.170 0.015 0.000 0.300 993 I C 1.230 177.274 176.117 -0.122 0.000 1.260 993 I CA 0.421 61.609 61.300 -0.188 0.000 1.365 993 I CB -0.552 37.228 38.000 -0.367 0.000 1.077 993 I HN 0.943 nan 8.210 nan 0.000 0.439 994 G N 1.531 110.282 108.800 -0.083 0.000 2.645 994 G HA2 0.034 4.003 3.960 0.015 0.000 0.246 994 G HA3 0.034 4.003 3.960 0.015 0.000 0.246 994 G C 0.546 175.438 174.900 -0.013 0.000 1.322 994 G CA 0.130 45.220 45.100 -0.018 0.000 0.898 994 G HN 1.330 nan 8.290 nan 0.000 0.573 995 G N -2.493 106.316 108.800 0.014 0.000 2.902 995 G HA2 0.016 3.985 3.960 0.015 0.000 0.215 995 G HA3 0.016 3.985 3.960 0.015 0.000 0.215 995 G C 0.675 175.624 174.900 0.083 0.000 0.976 995 G CA 0.946 46.064 45.100 0.030 0.000 0.794 995 G HN 0.950 nan 8.290 nan 0.000 0.557 996 D N 1.307 121.777 120.400 0.118 0.000 2.203 996 D HA 0.071 4.720 4.640 0.015 0.000 0.199 996 D C 1.010 177.342 176.300 0.053 0.000 0.997 996 D CA 2.123 56.257 54.000 0.222 0.000 0.863 996 D CB 0.125 41.069 40.800 0.241 0.000 0.928 996 D HN 0.801 nan 8.370 nan 0.000 0.458 997 D N -3.379 116.848 120.400 -0.288 0.000 2.643 997 D HA 0.324 4.973 4.640 0.015 0.000 0.283 997 D C -0.834 174.982 176.300 -0.806 0.000 1.242 997 D CA -0.746 52.653 54.000 -1.002 0.000 0.863 997 D CB 0.852 40.503 40.800 -1.915 0.000 1.382 997 D HN -0.298 nan 8.370 nan 0.000 0.444 998 S N -0.607 114.472 115.700 -1.037 0.000 2.711 998 S HA 0.263 4.742 4.470 0.015 0.000 0.247 998 S C -0.688 173.958 174.600 0.077 0.000 1.079 998 S CA -0.674 57.389 58.200 -0.227 0.000 1.050 998 S CB -0.517 62.792 63.200 0.182 0.000 0.885 998 S HN 0.613 nan 8.310 nan 0.000 0.498 999 W N 0.693 121.945 121.300 -0.080 0.000 1.780 999 W HA 0.520 5.188 4.660 0.014 0.000 0.256 999 W C -0.002 176.471 176.519 -0.077 0.000 0.844 999 W CA -0.448 56.849 57.345 -0.081 0.000 1.227 999 W CB -0.529 28.810 29.460 -0.202 0.000 1.006 999 W HN 0.189 nan 8.180 nan 0.000 0.493 1000 S N -0.944 114.640 115.700 -0.192 0.000 2.570 1000 S HA 0.648 5.126 4.470 0.015 0.000 0.270 1000 S C -3.137 171.400 174.600 -0.104 0.000 1.149 1000 S CA -1.629 56.505 58.200 -0.109 0.000 0.837 1000 S CB 1.724 64.877 63.200 -0.078 0.000 1.124 1000 S HN -0.217 nan 8.310 nan 0.000 0.465 1001 P HA 0.192 nan 4.420 nan 0.000 0.263 1001 P C 0.358 177.700 177.300 0.071 0.000 1.195 1001 P CA 0.031 63.139 63.100 0.015 0.000 0.762 1001 P CB 0.669 32.244 31.700 -0.207 0.000 0.799 1002 S N 0.705 116.490 115.700 0.142 0.000 2.847 1002 S HA 0.141 4.620 4.470 0.015 0.000 0.254 1002 S C 0.216 174.903 174.600 0.145 0.000 1.039 1002 S CA -0.297 57.959 58.200 0.093 0.000 1.113 1002 S CB -0.234 62.969 63.200 0.005 0.000 1.092 1002 S HN 0.114 nan 8.310 nan 0.000 0.620 1003 V N 2.839 122.886 119.914 0.222 0.000 2.488 1003 V HA 0.397 4.526 4.120 0.015 0.000 0.277 1003 V C 0.796 177.042 176.094 0.253 0.000 1.046 1003 V CA -0.272 62.141 62.300 0.188 0.000 0.986 1003 V CB 1.140 33.023 31.823 0.099 0.000 0.989 1003 V HN 0.513 nan 8.190 nan 0.000 0.475 1004 S N 3.894 119.754 115.700 0.267 0.000 2.572 1004 S HA 0.308 4.787 4.470 0.015 0.000 0.279 1004 S C 1.532 176.286 174.600 0.257 0.000 1.341 1004 S CA 0.060 58.417 58.200 0.261 0.000 1.043 1004 S CB 1.157 64.543 63.200 0.309 0.000 0.887 1004 S HN 0.994 nan 8.310 nan 0.000 0.516 1005 A N 3.621 126.551 122.820 0.183 0.000 1.927 1005 A HA -0.174 4.155 4.320 0.015 0.000 0.220 1005 A C 2.011 179.645 177.584 0.083 0.000 1.185 1005 A CA 1.993 54.123 52.037 0.155 0.000 0.639 1005 A CB -0.753 18.311 19.000 0.107 0.000 0.820 1005 A HN 0.965 nan 8.150 nan 0.000 0.451 1006 E N -0.912 119.284 120.200 -0.006 0.000 2.401 1006 E HA -0.138 4.221 4.350 0.015 0.000 0.199 1006 E C 0.751 177.155 176.600 -0.327 0.000 1.023 1006 E CA 0.845 57.127 56.400 -0.196 0.000 0.859 1006 E CB -0.460 29.031 29.700 -0.347 0.000 0.780 1006 E HN 0.682 nan 8.360 nan 0.000 0.523 1007 F N 1.056 121.061 119.950 0.091 0.000 2.654 1007 F HA 0.270 4.806 4.527 0.014 0.000 0.303 1007 F C 0.820 176.663 175.800 0.071 0.000 1.099 1007 F CA -0.498 57.556 58.000 0.090 0.000 1.270 1007 F CB 0.563 39.616 39.000 0.089 0.000 1.024 1007 F HN -0.195 nan 8.300 nan 0.000 0.548 1008 Q N 1.272 121.187 119.800 0.191 0.000 2.259 1008 Q HA 0.376 4.725 4.340 0.015 0.000 0.249 1008 Q C -0.152 175.888 176.000 0.068 0.000 0.914 1008 Q CA -0.444 55.448 55.803 0.150 0.000 0.904 1008 Q CB 1.732 30.644 28.738 0.291 0.000 1.213 1008 Q HN 0.264 nan 8.270 nan 0.000 0.428 1009 L N 2.508 123.758 121.223 0.046 0.000 2.399 1009 L HA 0.098 4.447 4.340 0.015 0.000 0.257 1009 L C 0.627 177.480 176.870 -0.028 0.000 1.236 1009 L CA -0.042 54.812 54.840 0.024 0.000 1.144 1009 L CB -0.392 41.570 42.059 -0.162 0.000 1.379 1009 L HN 0.673 nan 8.230 nan 0.000 0.414 1010 S N -1.259 114.329 115.700 -0.186 0.000 2.578 1010 S HA 0.166 4.645 4.470 0.015 0.000 0.231 1010 S C 1.604 176.128 174.600 -0.127 0.000 0.994 1010 S CA 0.155 58.087 58.200 -0.447 0.000 0.956 1010 S CB 0.768 63.489 63.200 -0.797 0.000 0.870 1010 S HN 0.499 nan 8.310 nan 0.000 0.494 1011 A N 1.454 124.231 122.820 -0.071 0.000 2.121 1011 A HA 0.448 4.777 4.320 0.015 0.000 0.218 1011 A C 2.110 179.543 177.584 -0.252 0.000 1.154 1011 A CA 1.183 53.047 52.037 -0.289 0.000 0.679 1011 A CB -1.276 17.322 19.000 -0.669 0.000 0.795 1011 A HN 1.464 nan 8.150 nan 0.000 0.458 1012 G N -1.148 107.607 108.800 -0.075 0.000 2.708 1012 G HA2 -0.315 3.654 3.960 0.015 0.000 0.229 1012 G HA3 -0.315 3.654 3.960 0.015 0.000 0.229 1012 G C 0.475 175.369 174.900 -0.010 0.000 1.236 1012 G CA 0.498 45.605 45.100 0.011 0.000 0.749 1012 G HN 0.695 nan 8.290 nan 0.000 0.515 1013 R N -0.448 119.927 120.500 -0.210 0.000 2.534 1013 R HA 0.689 5.037 4.340 0.015 0.000 0.301 1013 R C -1.510 174.550 176.300 -0.400 0.000 0.961 1013 R CA -0.584 55.435 56.100 -0.135 0.000 0.871 1013 R CB 1.499 31.757 30.300 -0.070 0.000 1.170 1013 R HN 0.262 nan 8.270 nan 0.000 0.446 1014 Y N 0.439 120.728 120.300 -0.019 0.000 2.477 1014 Y HA 0.321 4.879 4.550 0.015 0.000 0.347 1014 Y C -0.399 175.628 175.900 0.213 0.000 0.981 1014 Y CA -0.816 57.226 58.100 -0.096 0.000 1.033 1014 Y CB 2.141 40.420 38.460 -0.301 0.000 1.245 1014 Y HN 0.588 nan 8.280 nan 0.000 0.455 1015 H N 3.046 122.360 119.070 0.407 0.000 2.600 1015 H HA 0.624 5.189 4.556 0.015 0.000 0.357 1015 H C -1.706 174.024 175.328 0.670 0.000 1.106 1015 H CA -0.894 55.408 56.048 0.423 0.000 1.193 1015 H CB 1.210 31.114 29.762 0.237 0.000 1.594 1015 H HN 0.579 nan 8.280 nan 0.000 0.526 1016 Y N 1.376 121.448 120.300 -0.379 0.000 2.609 1016 Y HA 0.480 5.039 4.550 0.015 0.000 0.336 1016 Y C -2.089 173.587 175.900 -0.373 0.000 1.129 1016 Y CA -1.100 56.850 58.100 -0.250 0.000 1.040 1016 Y CB 1.408 39.856 38.460 -0.020 0.000 1.310 1016 Y HN 0.686 nan 8.280 nan 0.000 0.460 1017 Q N 3.269 123.042 119.800 -0.045 0.000 2.345 1017 Q HA 0.764 5.113 4.340 0.015 0.000 0.275 1017 Q C -1.965 174.124 176.000 0.149 0.000 1.063 1017 Q CA -1.040 54.748 55.803 -0.026 0.000 0.819 1017 Q CB 3.407 32.178 28.738 0.055 0.000 1.356 1017 Q HN 0.831 nan 8.270 nan 0.000 0.418 1018 L N 0.797 122.094 121.223 0.123 0.000 2.393 1018 L HA 0.703 5.052 4.340 0.015 0.000 0.260 1018 L C -0.972 176.011 176.870 0.188 0.000 1.002 1018 L CA -1.205 53.745 54.840 0.183 0.000 0.818 1018 L CB 2.674 44.820 42.059 0.145 0.000 1.369 1018 L HN 0.406 nan 8.230 nan 0.000 0.412 1019 V N 0.680 120.728 119.914 0.223 0.000 2.448 1019 V HA 0.395 4.524 4.120 0.015 0.000 0.295 1019 V C -1.225 175.025 176.094 0.261 0.000 1.025 1019 V CA -0.437 62.000 62.300 0.227 0.000 0.859 1019 V CB 1.967 33.901 31.823 0.184 0.000 0.988 1019 V HN 0.601 nan 8.190 nan 0.000 0.431 1020 W N 6.959 128.307 121.300 0.080 0.000 2.417 1020 W HA 0.718 5.387 4.660 0.015 0.000 0.315 1020 W C -0.276 176.240 176.519 -0.006 0.000 1.045 1020 W CA -1.173 56.138 57.345 -0.058 0.000 1.221 1020 W CB 1.426 30.915 29.460 0.049 0.000 1.309 1020 W HN 0.872 nan 8.180 nan 0.000 0.453 1021 C N 4.002 123.532 119.300 0.385 0.000 3.291 1021 C HA 0.808 5.277 4.460 0.015 0.000 0.316 1021 C C -0.608 174.499 174.990 0.195 0.000 1.391 1021 C CA -0.905 58.271 59.018 0.264 0.000 1.394 1021 C CB 1.449 29.294 27.740 0.174 0.000 1.744 1021 C HN 0.702 nan 8.230 nan 0.000 0.461 1022 Q N 1.838 121.709 119.800 0.118 0.000 2.293 1022 Q HA 0.798 5.147 4.340 0.015 0.000 0.261 1022 Q C -0.578 175.420 176.000 -0.002 0.000 0.960 1022 Q CA 0.145 55.965 55.803 0.029 0.000 0.882 1022 Q CB 0.972 29.697 28.738 -0.022 0.000 1.275 1022 Q HN 0.887 nan 8.270 nan 0.000 0.445 1023 K N 0.000 120.376 120.400 -0.039 0.000 2.780 1023 K HA 0.000 4.329 4.320 0.015 0.000 0.191 1023 K CA 0.000 56.270 56.287 -0.029 0.000 0.838 1023 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543