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 3i3d_1_C DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAA GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.076 176.300 -0.373 0.000 0.893 13 R CA 0.000 55.956 56.100 -0.239 0.000 0.921 13 R CB 0.000 30.165 30.300 -0.224 0.000 0.687 14 R N 1.728 121.890 120.500 -0.564 0.000 3.158 14 R HA -0.167 4.173 4.340 -0.000 0.000 0.244 14 R C -0.200 175.535 176.300 -0.942 0.000 0.900 14 R CA 0.859 56.202 56.100 -1.262 0.000 0.618 14 R CB -1.196 28.541 30.300 -0.937 0.000 1.061 14 R HN 0.226 nan 8.270 nan 0.000 0.471 15 D N -0.156 119.902 120.400 -0.570 0.000 2.311 15 D HA -0.177 4.463 4.640 -0.000 0.000 0.212 15 D C 1.560 177.756 176.300 -0.174 0.000 0.972 15 D CA 1.589 55.334 54.000 -0.425 0.000 0.887 15 D CB -0.105 40.243 40.800 -0.753 0.000 0.915 15 D HN 0.730 nan 8.370 nan 0.000 0.497 16 W N 1.103 122.401 121.300 -0.003 0.000 3.292 16 W HA 0.229 4.889 4.660 -0.000 0.000 0.263 16 W C 0.505 177.108 176.519 0.140 0.000 1.318 16 W CA -0.304 57.147 57.345 0.177 0.000 1.663 16 W CB -0.184 29.429 29.460 0.254 0.000 1.114 16 W HN -0.198 nan 8.180 nan 0.000 0.706 17 E N 1.158 121.238 120.200 -0.201 0.000 3.306 17 E HA 0.044 4.394 4.350 -0.000 0.000 0.197 17 E C -0.657 175.781 176.600 -0.270 0.000 0.980 17 E CA -0.188 56.106 56.400 -0.178 0.000 1.259 17 E CB -0.136 29.428 29.700 -0.227 0.000 1.112 17 E HN 0.023 nan 8.360 nan 0.000 0.458 18 N N 1.335 119.911 118.700 -0.207 0.000 2.594 18 N HA 0.122 4.862 4.740 -0.000 0.000 0.280 18 N C -2.257 173.099 175.510 -0.258 0.000 1.156 18 N CA -1.926 50.966 53.050 -0.264 0.000 0.831 18 N CB 1.546 39.889 38.487 -0.242 0.000 1.379 18 N HN -0.151 nan 8.380 nan 0.000 0.536 19 P HA 0.020 nan 4.420 nan 0.000 0.231 19 P C 1.041 178.103 177.300 -0.397 0.000 1.158 19 P CA 0.577 63.342 63.100 -0.560 0.000 0.763 19 P CB 0.173 31.037 31.700 -1.393 0.000 0.805 20 G N -0.152 108.455 108.800 -0.322 0.000 2.511 20 G HA2 0.026 3.986 3.960 -0.000 0.000 0.217 20 G HA3 0.026 3.986 3.960 -0.000 0.000 0.217 20 G C 0.440 175.255 174.900 -0.141 0.000 1.133 20 G CA 0.181 45.145 45.100 -0.227 0.000 0.792 20 G HN 0.218 nan 8.290 nan 0.000 0.539 21 V N 1.661 121.507 119.914 -0.114 0.000 2.326 21 V HA 0.322 4.442 4.120 -0.000 0.000 0.281 21 V C 0.891 177.027 176.094 0.069 0.000 1.015 21 V CA 0.188 62.469 62.300 -0.032 0.000 0.823 21 V CB 1.213 32.995 31.823 -0.068 0.000 1.009 21 V HN 0.330 nan 8.190 nan 0.000 0.436 22 T N 0.690 115.288 114.554 0.073 0.000 3.023 22 T HA 0.377 4.727 4.350 -0.000 0.000 0.253 22 T C 0.248 175.002 174.700 0.089 0.000 1.038 22 T CA 0.130 62.284 62.100 0.091 0.000 0.962 22 T CB 0.319 69.193 68.868 0.010 0.000 1.018 22 T HN 0.701 nan 8.240 nan 0.000 0.521 23 Q N 0.233 120.131 119.800 0.163 0.000 2.776 23 Q HA 0.643 4.983 4.340 -0.000 0.000 0.289 23 Q C -2.338 173.794 176.000 0.219 0.000 0.912 23 Q CA -1.032 54.862 55.803 0.152 0.000 0.789 23 Q CB 0.671 29.405 28.738 -0.006 0.000 1.498 23 Q HN 0.224 nan 8.270 nan 0.000 0.408 24 L N 1.726 123.102 121.223 0.255 0.000 2.476 24 L HA 0.582 4.922 4.340 -0.000 0.000 0.269 24 L C -0.693 176.298 176.870 0.202 0.000 0.965 24 L CA -0.891 54.106 54.840 0.263 0.000 0.845 24 L CB 1.906 44.239 42.059 0.457 0.000 1.259 24 L HN 0.854 nan 8.230 nan 0.000 0.403 25 N N 1.130 119.913 118.700 0.138 0.000 2.741 25 N HA -0.210 4.530 4.740 -0.000 0.000 0.250 25 N C 0.148 175.719 175.510 0.100 0.000 1.115 25 N CA 0.825 53.940 53.050 0.109 0.000 0.724 25 N CB -0.768 37.753 38.487 0.056 0.000 1.090 25 N HN 0.660 nan 8.380 nan 0.000 0.558 26 R N 0.735 121.214 120.500 -0.035 0.000 2.441 26 R HA 0.430 4.770 4.340 -0.000 0.000 0.284 26 R C 0.450 176.606 176.300 -0.239 0.000 1.070 26 R CA -0.393 55.478 56.100 -0.382 0.000 1.047 26 R CB 0.595 30.659 30.300 -0.393 0.000 1.016 26 R HN 0.124 nan 8.270 nan 0.000 0.477 27 L N 2.974 124.028 121.223 -0.281 0.000 2.439 27 L HA 0.362 4.702 4.340 -0.000 0.000 0.261 27 L C 0.645 177.452 176.870 -0.105 0.000 1.153 27 L CA -0.694 54.073 54.840 -0.122 0.000 0.808 27 L CB 1.006 43.026 42.059 -0.065 0.000 1.126 27 L HN 0.772 nan 8.230 nan 0.000 0.460 28 A N 1.395 124.196 122.820 -0.033 0.000 2.507 28 A HA 0.463 4.782 4.320 -0.000 0.000 0.235 28 A C 0.335 177.896 177.584 -0.038 0.000 1.070 28 A CA 0.097 52.119 52.037 -0.025 0.000 0.768 28 A CB 0.107 19.121 19.000 0.023 0.000 1.011 28 A HN 0.804 nan 8.150 nan 0.000 0.502 29 A N 1.196 123.949 122.820 -0.112 0.000 2.332 29 A HA 0.698 5.018 4.320 -0.000 0.000 0.258 29 A C 0.090 177.548 177.584 -0.210 0.000 1.087 29 A CA 0.443 52.328 52.037 -0.253 0.000 0.802 29 A CB -0.009 18.860 19.000 -0.218 0.000 1.042 29 A HN 1.908 nan 8.150 nan 0.000 0.489 30 H N -2.526 116.382 119.070 -0.269 0.000 2.917 30 H HA 0.632 5.188 4.556 -0.000 0.000 0.299 30 H C -3.430 171.617 175.328 -0.468 0.000 1.418 30 H CA -1.840 53.986 56.048 -0.369 0.000 1.138 30 H CB -0.038 29.384 29.762 -0.566 0.000 1.830 30 H HN 0.371 nan 8.280 nan 0.000 0.514 31 P HA 0.215 nan 4.420 nan 0.000 0.274 31 P C -2.583 174.595 177.300 -0.202 0.000 1.246 31 P CA -1.316 61.603 63.100 -0.301 0.000 0.795 31 P CB -0.108 31.303 31.700 -0.482 0.000 1.006 32 P HA 0.003 nan 4.420 nan 0.000 0.261 32 P C -0.798 176.723 177.300 0.369 0.000 1.183 32 P CA 1.196 64.361 63.100 0.107 0.000 0.761 32 P CB -0.154 31.639 31.700 0.155 0.000 0.785 33 F N 1.596 121.640 119.950 0.157 0.000 2.507 33 F HA 0.588 5.115 4.527 -0.000 0.000 0.327 33 F C 1.040 176.770 175.800 -0.117 0.000 1.068 33 F CA -0.948 57.083 58.000 0.051 0.000 0.965 33 F CB 2.123 41.102 39.000 -0.035 0.000 1.192 33 F HN 0.231 nan 8.300 nan 0.000 0.476 34 A N 0.508 123.244 122.820 -0.140 0.000 2.480 34 A HA 0.212 4.532 4.320 -0.000 0.000 0.191 34 A C 0.617 177.880 177.584 -0.536 0.000 1.503 34 A CA 0.492 52.201 52.037 -0.547 0.000 1.110 34 A CB -0.116 18.052 19.000 -1.387 0.000 1.401 34 A HN 0.774 nan 8.150 nan 0.000 0.533 35 S N 0.453 115.946 115.700 -0.344 0.000 3.524 35 S HA -0.146 4.324 4.470 -0.000 0.000 0.377 35 S C -0.100 174.415 174.600 -0.141 0.000 0.949 35 S CA 0.419 58.491 58.200 -0.212 0.000 1.264 35 S CB -1.647 61.439 63.200 -0.190 0.000 0.918 35 S HN 0.450 nan 8.310 nan 0.000 0.517 36 W N 2.152 123.433 121.300 -0.032 0.000 2.158 36 W HA 0.265 4.925 4.660 -0.000 0.000 0.339 36 W C 1.334 177.834 176.519 -0.032 0.000 1.294 36 W CA -0.621 56.711 57.345 -0.021 0.000 1.231 36 W CB 0.289 29.735 29.460 -0.023 0.000 1.143 36 W HN 0.371 nan 8.180 nan 0.000 0.571 37 R N 1.864 122.486 120.500 0.203 0.000 2.509 37 R HA 0.080 4.420 4.340 -0.000 0.000 0.300 37 R C -0.065 176.294 176.300 0.097 0.000 0.985 37 R CA -0.114 56.050 56.100 0.108 0.000 1.092 37 R CB -0.265 30.070 30.300 0.058 0.000 1.237 37 R HN 0.349 nan 8.270 nan 0.000 0.546 38 N N 0.050 118.828 118.700 0.129 0.000 2.500 38 N HA 0.115 4.855 4.740 -0.000 0.000 0.291 38 N C -0.070 175.422 175.510 -0.029 0.000 1.092 38 N CA 0.006 53.084 53.050 0.046 0.000 0.890 38 N CB 1.760 40.274 38.487 0.044 0.000 1.466 38 N HN -0.253 nan 8.380 nan 0.000 0.507 39 S N 2.361 118.022 115.700 -0.065 0.000 2.382 39 S HA -0.165 4.305 4.470 -0.000 0.000 0.228 39 S C 1.404 175.843 174.600 -0.267 0.000 1.027 39 S CA 1.167 59.285 58.200 -0.138 0.000 0.991 39 S CB 0.008 63.161 63.200 -0.079 0.000 0.823 39 S HN 0.736 nan 8.310 nan 0.000 0.469 40 E N 1.513 121.575 120.200 -0.230 0.000 2.106 40 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 40 E C 1.906 178.285 176.600 -0.367 0.000 0.984 40 E CA 1.041 57.263 56.400 -0.297 0.000 0.806 40 E CB -0.135 29.449 29.700 -0.193 0.000 0.750 40 E HN 0.291 nan 8.360 nan 0.000 0.458 41 E N 0.128 120.124 120.200 -0.340 0.000 2.077 41 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 41 E C 1.990 177.974 176.600 -1.026 0.000 0.989 41 E CA 1.169 57.316 56.400 -0.422 0.000 0.800 41 E CB -0.489 29.127 29.700 -0.140 0.000 0.746 41 E HN 0.382 nan 8.360 nan 0.000 0.452 42 A N 1.482 123.497 122.820 -1.341 0.000 1.898 42 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 42 A C 2.235 179.205 177.584 -1.025 0.000 1.181 42 A CA 1.593 52.519 52.037 -1.852 0.000 0.620 42 A CB -0.469 17.980 19.000 -0.918 0.000 0.819 42 A HN 0.135 nan 8.150 nan 0.000 0.442 43 R N -0.141 119.935 120.500 -0.707 0.000 2.073 43 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 43 R C 2.039 178.042 176.300 -0.494 0.000 1.134 43 R CA 2.136 57.857 56.100 -0.631 0.000 0.952 43 R CB -0.492 29.293 30.300 -0.858 0.000 0.850 43 R HN 0.615 nan 8.270 nan 0.000 0.433 44 T N -2.552 111.735 114.554 -0.446 0.000 3.148 44 T HA 0.011 4.361 4.350 -0.000 0.000 0.253 44 T C 0.354 174.939 174.700 -0.192 0.000 1.134 44 T CA 0.617 62.550 62.100 -0.278 0.000 1.051 44 T CB -0.054 68.683 68.868 -0.219 0.000 0.959 44 T HN 0.420 nan 8.240 nan 0.000 0.525 45 D N 0.826 121.058 120.400 -0.280 0.000 2.772 45 D HA -0.169 4.471 4.640 -0.000 0.000 0.233 45 D C -0.056 176.337 176.300 0.156 0.000 1.143 45 D CA 0.440 54.417 54.000 -0.039 0.000 0.700 45 D CB -1.095 39.741 40.800 0.060 0.000 1.076 45 D HN 0.586 nan 8.370 nan 0.000 0.430 46 R N 0.043 120.607 120.500 0.106 0.000 2.560 46 R HA 0.480 4.820 4.340 -0.000 0.000 0.270 46 R C -2.113 174.429 176.300 0.403 0.000 1.074 46 R CA -1.519 54.695 56.100 0.191 0.000 1.140 46 R CB 0.268 30.623 30.300 0.092 0.000 1.073 46 R HN 0.080 nan 8.270 nan 0.000 0.527 47 P HA -0.100 nan 4.420 nan 0.000 0.266 47 P C -0.707 176.754 177.300 0.268 0.000 1.186 47 P CA 0.473 63.713 63.100 0.233 0.000 0.767 47 P CB 0.593 32.382 31.700 0.148 0.000 0.820 48 S N 1.578 117.327 115.700 0.082 0.000 2.475 48 S HA 0.111 4.581 4.470 -0.000 0.000 0.298 48 S C 1.093 175.711 174.600 0.030 0.000 1.119 48 S CA -0.625 57.544 58.200 -0.052 0.000 1.085 48 S CB 0.479 63.312 63.200 -0.611 0.000 1.028 48 S HN 0.267 nan 8.310 nan 0.000 0.489 49 Q N 2.965 122.818 119.800 0.088 0.000 2.364 49 Q HA -0.085 4.255 4.340 -0.000 0.000 0.207 49 Q C 0.811 176.937 176.000 0.211 0.000 0.970 49 Q CA 1.097 56.987 55.803 0.145 0.000 0.888 49 Q CB -0.207 28.614 28.738 0.139 0.000 0.951 49 Q HN 0.693 nan 8.270 nan 0.000 0.469 50 Q N 0.004 119.840 119.800 0.061 0.000 2.360 50 Q HA 0.149 4.489 4.340 -0.000 0.000 0.202 50 Q C -0.253 175.788 176.000 0.069 0.000 0.915 50 Q CA 0.158 55.938 55.803 -0.038 0.000 0.943 50 Q CB 0.458 29.083 28.738 -0.188 0.000 1.064 50 Q HN 0.089 nan 8.270 nan 0.000 0.511 51 L N 0.890 122.175 121.223 0.104 0.000 2.353 51 L HA 0.433 4.773 4.340 -0.000 0.000 0.270 51 L C -1.145 175.820 176.870 0.158 0.000 1.003 51 L CA -0.342 54.563 54.840 0.108 0.000 0.862 51 L CB 0.925 42.961 42.059 -0.038 0.000 1.221 51 L HN -0.113 nan 8.230 nan 0.000 0.430 52 R N 2.344 122.975 120.500 0.219 0.000 2.604 52 R HA 0.618 4.958 4.340 -0.000 0.000 0.287 52 R C -0.514 175.816 176.300 0.050 0.000 0.970 52 R CA -0.679 55.489 56.100 0.113 0.000 0.946 52 R CB 1.975 32.302 30.300 0.045 0.000 1.127 52 R HN 0.643 nan 8.270 nan 0.000 0.473 53 S N 2.080 117.797 115.700 0.028 0.000 2.508 53 S HA 0.299 4.769 4.470 -0.000 0.000 0.284 53 S C 0.502 175.105 174.600 0.004 0.000 1.192 53 S CA -0.686 57.521 58.200 0.013 0.000 1.070 53 S CB 0.598 63.816 63.200 0.030 0.000 1.004 53 S HN 0.572 nan 8.310 nan 0.000 0.493 54 L N 3.496 124.720 121.223 0.002 0.000 2.818 54 L HA 0.309 4.649 4.340 -0.000 0.000 0.243 54 L C 0.106 177.129 176.870 0.255 0.000 1.185 54 L CA -0.391 54.474 54.840 0.042 0.000 0.988 54 L CB -0.295 41.725 42.059 -0.065 0.000 1.292 54 L HN 0.525 nan 8.230 nan 0.000 0.519 55 N N 1.271 120.063 118.700 0.154 0.000 2.453 55 N HA 0.490 5.230 4.740 -0.000 0.000 0.253 55 N C 0.659 176.292 175.510 0.205 0.000 1.252 55 N CA 0.955 54.098 53.050 0.155 0.000 0.917 55 N CB 1.279 39.793 38.487 0.045 0.000 1.117 55 N HN 0.291 nan 8.380 nan 0.000 0.442 56 G N 0.328 109.262 108.800 0.224 0.000 2.247 56 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.229 56 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.229 56 G C -1.581 173.514 174.900 0.325 0.000 1.345 56 G CA -0.802 44.426 45.100 0.215 0.000 1.100 56 G HN 0.468 nan 8.290 nan 0.000 0.473 57 E N 0.098 120.467 120.200 0.282 0.000 2.194 57 E HA 0.455 4.805 4.350 -0.000 0.000 0.284 57 E C -0.947 175.904 176.600 0.418 0.000 1.035 57 E CA -0.127 56.453 56.400 0.301 0.000 0.836 57 E CB 1.041 30.843 29.700 0.170 0.000 1.070 57 E HN 0.353 nan 8.360 nan 0.000 0.401 58 W N 1.623 123.010 121.300 0.146 0.000 2.804 58 W HA 0.401 5.061 4.660 -0.000 0.000 0.352 58 W C 0.174 176.814 176.519 0.202 0.000 1.153 58 W CA -0.750 56.711 57.345 0.194 0.000 1.119 58 W CB 0.795 30.423 29.460 0.280 0.000 1.448 58 W HN 0.178 nan 8.180 nan 0.000 0.600 59 R N 1.454 122.235 120.500 0.468 0.000 2.407 59 R HA 0.571 4.911 4.340 -0.000 0.000 0.303 59 R C -1.496 175.034 176.300 0.385 0.000 0.981 59 R CA -0.879 55.425 56.100 0.340 0.000 0.905 59 R CB 1.267 31.717 30.300 0.250 0.000 1.099 59 R HN 0.453 nan 8.270 nan 0.000 0.459 60 F N 0.546 120.526 119.950 0.051 0.000 2.578 60 F HA 0.658 5.185 4.527 -0.000 0.000 0.311 60 F C -1.469 174.176 175.800 -0.258 0.000 1.094 60 F CA -0.638 57.245 58.000 -0.194 0.000 0.923 60 F CB 2.049 40.821 39.000 -0.380 0.000 1.230 60 F HN 0.618 nan 8.300 nan 0.000 0.450 61 A N 4.349 126.312 122.820 -1.428 0.000 2.455 61 A HA 0.566 4.886 4.320 -0.000 0.000 0.300 61 A C -2.422 174.189 177.584 -1.622 0.000 1.040 61 A CA -0.520 50.827 52.037 -1.151 0.000 0.697 61 A CB 0.707 19.335 19.000 -0.619 0.000 1.265 61 A HN 0.935 nan 8.150 nan 0.000 0.407 62 W N 2.455 122.910 121.300 -1.410 0.000 2.496 62 W HA 0.762 5.422 4.660 -0.000 0.000 0.327 62 W C -1.777 174.094 176.519 -1.079 0.000 1.086 62 W CA -0.352 56.327 57.345 -1.110 0.000 1.222 62 W CB 1.087 30.181 29.460 -0.610 0.000 1.304 62 W HN 0.494 nan 8.180 nan 0.000 0.547 63 F N 6.160 125.407 119.950 -1.172 0.000 2.588 63 F HA 0.340 4.867 4.527 -0.000 0.000 0.310 63 F C -1.244 173.656 175.800 -1.500 0.000 1.082 63 F CA -2.088 55.338 58.000 -0.957 0.000 0.929 63 F CB 2.067 40.671 39.000 -0.660 0.000 1.254 63 F HN 0.222 nan 8.300 nan 0.000 0.455 64 P HA 0.075 nan 4.420 nan 0.000 0.226 64 P C -0.258 176.891 177.300 -0.252 0.000 1.153 64 P CA 0.930 63.733 63.100 -0.494 0.000 0.777 64 P CB 0.771 32.461 31.700 -0.016 0.000 0.794 65 A N -0.456 122.227 122.820 -0.227 0.000 2.597 65 A HA 0.493 4.813 4.320 -0.000 0.000 0.292 65 A C -2.460 175.012 177.584 -0.188 0.000 1.057 65 A CA -0.947 51.009 52.037 -0.135 0.000 0.674 65 A CB 0.387 19.376 19.000 -0.018 0.000 1.278 65 A HN -0.275 nan 8.150 nan 0.000 0.416 66 P HA -0.109 nan 4.420 nan 0.000 0.222 66 P C 0.591 177.799 177.300 -0.153 0.000 1.147 66 P CA 1.399 64.365 63.100 -0.222 0.000 0.790 66 P CB 0.296 31.818 31.700 -0.296 0.000 0.780 67 E N 0.267 120.427 120.200 -0.066 0.000 2.347 67 E HA 0.001 4.351 4.350 -0.000 0.000 0.196 67 E C 2.024 178.555 176.600 -0.115 0.000 1.008 67 E CA 0.989 57.362 56.400 -0.046 0.000 0.852 67 E CB -0.813 28.896 29.700 0.016 0.000 0.783 67 E HN 0.250 nan 8.360 nan 0.000 0.505 68 A N 0.261 122.978 122.820 -0.172 0.000 2.275 68 A HA 0.118 4.438 4.320 -0.000 0.000 0.212 68 A C 0.639 177.915 177.584 -0.514 0.000 1.201 68 A CA -0.167 51.758 52.037 -0.186 0.000 0.843 68 A CB 0.317 19.303 19.000 -0.024 0.000 0.873 68 A HN 0.035 nan 8.150 nan 0.000 0.492 69 V N 3.650 123.126 119.914 -0.729 0.000 2.470 69 V HA 0.173 4.293 4.120 -0.000 0.000 0.276 69 V C -1.968 173.775 176.094 -0.585 0.000 1.040 69 V CA -1.428 60.193 62.300 -1.131 0.000 1.008 69 V CB 0.632 31.890 31.823 -0.942 0.000 0.990 69 V HN 0.374 nan 8.190 nan 0.000 0.477 70 P HA 0.180 nan 4.420 nan 0.000 0.271 70 P C 0.177 177.419 177.300 -0.097 0.000 1.216 70 P CA -0.262 62.725 63.100 -0.189 0.000 0.771 70 P CB 1.355 33.002 31.700 -0.087 0.000 0.864 71 E N 1.443 121.596 120.200 -0.079 0.000 2.160 71 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 71 E C 2.031 178.597 176.600 -0.056 0.000 0.991 71 E CA 1.900 58.256 56.400 -0.074 0.000 0.810 71 E CB -0.753 28.908 29.700 -0.065 0.000 0.742 71 E HN 0.598 nan 8.360 nan 0.000 0.466 72 S N -0.214 115.473 115.700 -0.021 0.000 2.419 72 S HA -0.220 4.250 4.470 -0.000 0.000 0.235 72 S C 1.790 176.393 174.600 0.005 0.000 1.019 72 S CA 0.859 59.052 58.200 -0.011 0.000 0.982 72 S CB -0.731 62.476 63.200 0.012 0.000 0.789 72 S HN 0.569 nan 8.310 nan 0.000 0.490 73 W N 2.194 123.401 121.300 -0.155 0.000 2.421 73 W HA 0.084 4.744 4.660 -0.000 0.000 0.270 73 W C 1.554 177.963 176.519 -0.184 0.000 1.233 73 W CA 0.750 58.003 57.345 -0.153 0.000 1.226 73 W CB -0.293 29.048 29.460 -0.198 0.000 1.121 73 W HN 0.288 nan 8.180 nan 0.000 0.579 74 L N 0.176 121.149 121.223 -0.417 0.000 2.156 74 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 74 L C 2.457 179.092 176.870 -0.393 0.000 1.095 74 L CA 1.067 55.526 54.840 -0.636 0.000 0.770 74 L CB -0.666 41.053 42.059 -0.567 0.000 0.914 74 L HN -0.093 nan 8.230 nan 0.000 0.439 75 E N -0.442 119.617 120.200 -0.236 0.000 2.102 75 E HA -0.007 4.343 4.350 -0.000 0.000 0.190 75 E C 0.687 177.211 176.600 -0.127 0.000 0.971 75 E CA 0.747 57.061 56.400 -0.143 0.000 0.821 75 E CB 0.249 29.898 29.700 -0.085 0.000 0.777 75 E HN 0.513 nan 8.360 nan 0.000 0.460 76 C N -0.240 118.991 119.300 -0.116 0.000 3.241 76 C HA 0.530 4.990 4.460 -0.000 0.000 0.312 76 C C -0.286 174.682 174.990 -0.037 0.000 1.350 76 C CA -1.471 57.502 59.018 -0.074 0.000 1.415 76 C CB 1.182 28.901 27.740 -0.035 0.000 1.770 76 C HN 0.145 nan 8.230 nan 0.000 0.466 77 D N 0.618 121.017 120.400 -0.002 0.000 2.525 77 D HA 0.256 4.896 4.640 -0.000 0.000 0.235 77 D C -0.279 176.085 176.300 0.106 0.000 1.137 77 D CA 0.409 54.450 54.000 0.067 0.000 0.868 77 D CB 0.467 41.301 40.800 0.057 0.000 1.180 77 D HN 0.599 nan 8.370 nan 0.000 0.465 78 L N 6.335 127.666 121.223 0.180 0.000 2.313 78 L HA 0.246 4.586 4.340 -0.000 0.000 0.282 78 L C -0.984 175.943 176.870 0.095 0.000 1.092 78 L CA -1.420 53.511 54.840 0.152 0.000 0.831 78 L CB 1.334 43.509 42.059 0.194 0.000 1.159 78 L HN 0.542 nan 8.230 nan 0.000 0.442 79 P HA -0.215 nan 4.420 nan 0.000 0.219 79 P C 0.800 178.124 177.300 0.041 0.000 1.146 79 P CA 1.221 64.350 63.100 0.049 0.000 0.808 79 P CB 0.152 31.875 31.700 0.037 0.000 0.779 80 E N 0.125 120.346 120.200 0.034 0.000 2.482 80 E HA 0.054 4.404 4.350 -0.000 0.000 0.196 80 E C 0.848 177.449 176.600 0.002 0.000 1.047 80 E CA -0.011 56.395 56.400 0.011 0.000 0.869 80 E CB -0.558 29.136 29.700 -0.010 0.000 0.836 80 E HN 0.091 nan 8.360 nan 0.000 0.520 81 A N 1.500 124.331 122.820 0.018 0.000 2.406 81 A HA 0.155 4.475 4.320 -0.000 0.000 0.243 81 A C -0.127 177.500 177.584 0.071 0.000 1.082 81 A CA -0.186 51.859 52.037 0.013 0.000 0.786 81 A CB 0.342 19.374 19.000 0.053 0.000 1.029 81 A HN 0.116 nan 8.150 nan 0.000 0.495 82 D N -0.155 120.317 120.400 0.121 0.000 2.326 82 D HA 0.477 5.117 4.640 -0.000 0.000 0.248 82 D C -0.679 175.731 176.300 0.184 0.000 1.001 82 D CA 0.001 54.099 54.000 0.164 0.000 0.961 82 D CB 1.438 42.389 40.800 0.251 0.000 1.183 82 D HN 0.400 nan 8.370 nan 0.000 0.502 83 T N 0.601 115.245 114.554 0.150 0.000 2.744 83 T HA 0.481 4.831 4.350 -0.000 0.000 0.291 83 T C 0.211 174.996 174.700 0.142 0.000 0.957 83 T CA -0.581 61.613 62.100 0.157 0.000 1.002 83 T CB 0.694 69.630 68.868 0.113 0.000 0.919 83 T HN 0.277 nan 8.240 nan 0.000 0.468 84 V N 1.172 121.201 119.914 0.192 0.000 3.102 84 V HA 0.801 4.921 4.120 -0.000 0.000 0.312 84 V C -0.259 175.951 176.094 0.192 0.000 1.135 84 V CA -1.086 61.291 62.300 0.128 0.000 1.022 84 V CB 1.632 33.543 31.823 0.146 0.000 1.056 84 V HN 0.510 nan 8.190 nan 0.000 0.436 85 V N 1.840 121.847 119.914 0.155 0.000 2.649 85 V HA 0.573 4.693 4.120 -0.000 0.000 0.292 85 V C 0.018 176.185 176.094 0.122 0.000 1.055 85 V CA -0.045 62.342 62.300 0.144 0.000 1.023 85 V CB 1.339 33.212 31.823 0.085 0.000 0.992 85 V HN 0.769 nan 8.190 nan 0.000 0.480 86 V N 6.086 125.996 119.914 -0.006 0.000 2.760 86 V HA 0.445 4.565 4.120 -0.000 0.000 0.309 86 V C -2.335 173.642 176.094 -0.195 0.000 1.077 86 V CA -1.604 60.559 62.300 -0.228 0.000 0.910 86 V CB 2.613 33.971 31.823 -0.776 0.000 1.008 86 V HN 0.769 nan 8.190 nan 0.000 0.424 87 P HA 0.354 nan 4.420 nan 0.000 0.272 87 P C -0.662 176.553 177.300 -0.142 0.000 1.223 87 P CA 0.147 63.118 63.100 -0.215 0.000 0.784 87 P CB 1.373 32.959 31.700 -0.191 0.000 0.923 88 S N 0.342 115.968 115.700 -0.124 0.000 2.633 88 S HA 0.341 4.811 4.470 -0.000 0.000 0.271 88 S C -1.351 173.153 174.600 -0.160 0.000 1.112 88 S CA -1.072 57.031 58.200 -0.161 0.000 0.828 88 S CB 0.191 63.242 63.200 -0.248 0.000 1.086 88 S HN 0.424 nan 8.310 nan 0.000 0.461 89 N N 0.806 119.350 118.700 -0.260 0.000 2.400 89 N HA 0.498 5.238 4.740 -0.000 0.000 0.288 89 N C 0.421 175.737 175.510 -0.324 0.000 1.024 89 N CA -0.772 52.102 53.050 -0.294 0.000 0.894 89 N CB 0.727 39.016 38.487 -0.331 0.000 1.173 89 N HN 0.860 nan 8.380 nan 0.000 0.487 90 W N 1.920 123.061 121.300 -0.265 0.000 2.595 90 W HA 0.062 4.722 4.660 -0.000 0.000 0.257 90 W C 0.884 177.376 176.519 -0.045 0.000 1.267 90 W CA 0.404 57.599 57.345 -0.250 0.000 1.300 90 W CB -0.268 29.021 29.460 -0.285 0.000 1.120 90 W HN 0.498 nan 8.180 nan 0.000 0.618 91 Q N 0.564 120.332 119.800 -0.053 0.000 2.172 91 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 91 Q C 2.158 178.108 176.000 -0.083 0.000 0.964 91 Q CA 1.616 57.392 55.803 -0.044 0.000 0.855 91 Q CB -0.565 28.021 28.738 -0.252 0.000 0.918 91 Q HN 0.227 nan 8.270 nan 0.000 0.444 92 M N -0.707 118.803 119.600 -0.150 0.000 2.557 92 M HA -0.065 4.415 4.480 -0.000 0.000 0.259 92 M C 0.729 177.085 176.300 0.093 0.000 1.086 92 M CA 1.411 56.652 55.300 -0.098 0.000 1.096 92 M CB -0.626 31.887 32.600 -0.145 0.000 1.424 92 M HN 0.383 nan 8.290 nan 0.000 0.488 93 H N -1.022 118.071 119.070 0.038 0.000 2.551 93 H HA 0.269 4.825 4.556 -0.000 0.000 0.271 93 H C 1.309 176.551 175.328 -0.144 0.000 0.984 93 H CA 0.135 56.193 56.048 0.017 0.000 1.164 93 H CB 0.473 30.342 29.762 0.179 0.000 1.437 93 H HN 0.550 nan 8.280 nan 0.000 0.550 94 G N 0.576 109.395 108.800 0.031 0.000 2.157 94 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.248 94 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.248 94 G C 0.426 175.206 174.900 -0.200 0.000 0.979 94 G CA 0.360 45.403 45.100 -0.094 0.000 0.650 94 G HN 0.471 nan 8.290 nan 0.000 0.529 95 Y N 1.661 121.970 120.300 0.015 0.000 2.293 95 Y HA 0.237 4.787 4.550 -0.000 0.000 0.291 95 Y C 1.683 177.327 175.900 -0.426 0.000 1.137 95 Y CA 1.666 59.647 58.100 -0.198 0.000 1.202 95 Y CB 0.196 38.607 38.460 -0.081 0.000 0.990 95 Y HN 0.657 nan 8.280 nan 0.000 0.537 96 D N -2.010 118.432 120.400 0.071 0.000 2.665 96 D HA 0.466 5.106 4.640 -0.000 0.000 0.287 96 D C -1.197 175.175 176.300 0.119 0.000 1.266 96 D CA -0.832 53.200 54.000 0.054 0.000 0.830 96 D CB 0.733 41.687 40.800 0.256 0.000 1.356 96 D HN -0.051 nan 8.370 nan 0.000 0.437 97 A N 0.254 123.151 122.820 0.127 0.000 2.363 97 A HA 0.652 4.972 4.320 -0.000 0.000 0.270 97 A C -2.240 175.363 177.584 0.032 0.000 1.121 97 A CA -1.067 51.028 52.037 0.098 0.000 0.800 97 A CB -0.004 19.117 19.000 0.202 0.000 1.052 97 A HN 0.540 nan 8.150 nan 0.000 0.493 98 P HA 0.424 nan 4.420 nan 0.000 0.284 98 P C -0.943 176.514 177.300 0.262 0.000 1.253 98 P CA 0.009 63.026 63.100 -0.139 0.000 0.800 98 P CB 0.996 32.300 31.700 -0.660 0.000 0.961 99 I N 3.253 124.065 120.570 0.402 0.000 2.389 99 I HA 0.233 4.403 4.170 -0.000 0.000 0.288 99 I C -0.449 175.833 176.117 0.274 0.000 0.999 99 I CA -0.981 60.549 61.300 0.383 0.000 1.129 99 I CB 1.368 39.535 38.000 0.277 0.000 1.288 99 I HN 0.316 nan 8.210 nan 0.000 0.444 100 Y N 6.594 126.807 120.300 -0.145 0.000 2.417 100 Y HA 0.514 5.064 4.550 -0.000 0.000 0.336 100 Y C -0.248 175.476 175.900 -0.293 0.000 0.961 100 Y CA -0.495 57.255 58.100 -0.583 0.000 1.215 100 Y CB 1.156 38.776 38.460 -1.400 0.000 1.120 100 Y HN 0.532 nan 8.280 nan 0.000 0.499 101 T N 5.215 119.187 114.554 -0.970 0.000 2.912 101 T HA 0.263 4.613 4.350 -0.000 0.000 0.299 101 T C 0.080 174.290 174.700 -0.818 0.000 1.052 101 T CA -0.626 60.967 62.100 -0.846 0.000 0.996 101 T CB 1.182 69.804 68.868 -0.410 0.000 1.070 101 T HN 0.740 nan 8.240 nan 0.000 0.465 102 N N 2.580 120.851 118.700 -0.714 0.000 2.220 102 N HA 0.045 4.785 4.740 -0.000 0.000 0.193 102 N C 1.611 176.862 175.510 -0.433 0.000 1.052 102 N CA 1.667 54.440 53.050 -0.463 0.000 0.898 102 N CB -0.658 37.570 38.487 -0.432 0.000 1.080 102 N HN 0.404 nan 8.380 nan 0.000 0.467 103 V N 0.431 120.020 119.914 -0.540 0.000 2.374 103 V HA 0.076 4.196 4.120 -0.000 0.000 0.241 103 V C 0.487 176.273 176.094 -0.514 0.000 1.034 103 V CA 0.962 62.867 62.300 -0.658 0.000 1.037 103 V CB -0.930 30.393 31.823 -0.834 0.000 0.682 103 V HN 0.334 nan 8.190 nan 0.000 0.463 104 T N 1.230 115.546 114.554 -0.398 0.000 2.871 104 T HA 0.081 4.431 4.350 -0.000 0.000 0.296 104 T C -0.324 174.236 174.700 -0.233 0.000 0.998 104 T CA 0.318 62.263 62.100 -0.259 0.000 1.162 104 T CB -0.382 68.361 68.868 -0.209 0.000 0.947 104 T HN 0.181 nan 8.240 nan 0.000 0.536 105 Y N 5.016 125.202 120.300 -0.190 0.000 2.683 105 Y HA 0.091 4.641 4.550 -0.000 0.000 0.340 105 Y C -0.648 175.107 175.900 -0.242 0.000 1.245 105 Y CA -1.539 56.434 58.100 -0.212 0.000 1.485 105 Y CB 0.361 38.682 38.460 -0.231 0.000 1.328 105 Y HN 0.512 nan 8.280 nan 0.000 0.603 106 P HA -0.002 nan 4.420 nan 0.000 0.245 106 P C -0.306 176.771 177.300 -0.371 0.000 1.212 106 P CA 1.096 64.075 63.100 -0.203 0.000 0.774 106 P CB 0.100 31.726 31.700 -0.124 0.000 0.999 107 I N -4.939 115.376 120.570 -0.424 0.000 2.934 107 I HA 0.479 4.649 4.170 -0.000 0.000 0.306 107 I C -0.629 175.344 176.117 -0.242 0.000 1.110 107 I CA -1.222 59.809 61.300 -0.449 0.000 1.019 107 I CB 1.852 39.419 38.000 -0.722 0.000 1.227 107 I HN -0.450 nan 8.210 nan 0.000 0.434 108 T N 2.893 117.355 114.554 -0.154 0.000 2.934 108 T HA 0.125 4.475 4.350 -0.000 0.000 0.306 108 T C 0.268 174.938 174.700 -0.051 0.000 1.042 108 T CA -0.210 61.849 62.100 -0.070 0.000 1.145 108 T CB 0.588 69.442 68.868 -0.024 0.000 0.982 108 T HN 0.387 nan 8.240 nan 0.000 0.544 109 V N 4.699 124.596 119.914 -0.029 0.000 2.352 109 V HA 0.219 4.339 4.120 -0.000 0.000 0.253 109 V C 0.699 176.837 176.094 0.074 0.000 1.083 109 V CA -0.224 62.082 62.300 0.010 0.000 0.993 109 V CB -0.400 31.402 31.823 -0.035 0.000 1.111 109 V HN 0.859 nan 8.190 nan 0.000 0.490 110 N N 5.942 124.752 118.700 0.184 0.000 2.673 110 N HA 0.249 4.989 4.740 -0.000 0.000 0.265 110 N C -2.728 172.872 175.510 0.150 0.000 1.709 110 N CA -1.339 51.806 53.050 0.159 0.000 0.792 110 N CB 1.458 40.057 38.487 0.186 0.000 1.286 110 N HN 0.300 nan 8.380 nan 0.000 0.506 111 P HA 0.124 nan 4.420 nan 0.000 0.265 111 P C -2.208 174.915 177.300 -0.295 0.000 1.187 111 P CA -0.541 62.176 63.100 -0.638 0.000 0.766 111 P CB 0.759 31.977 31.700 -0.804 0.000 0.820 112 P HA 0.214 nan 4.420 nan 0.000 0.259 112 P C -0.368 176.805 177.300 -0.212 0.000 1.530 112 P CA -0.336 62.548 63.100 -0.360 0.000 1.022 112 P CB -0.064 31.414 31.700 -0.370 0.000 1.514 113 F N 1.117 121.149 119.950 0.137 0.000 2.382 113 F HA 0.301 4.828 4.527 -0.000 0.000 0.331 113 F C 1.337 177.307 175.800 0.284 0.000 1.121 113 F CA -0.653 57.455 58.000 0.181 0.000 1.183 113 F CB 0.827 39.884 39.000 0.094 0.000 1.207 113 F HN -0.195 nan 8.300 nan 0.000 0.555 114 V N -0.690 119.495 119.914 0.452 0.000 3.074 114 V HA 0.688 4.808 4.120 -0.000 0.000 0.314 114 V C -2.805 173.453 176.094 0.274 0.000 1.117 114 V CA -2.982 59.510 62.300 0.320 0.000 1.014 114 V CB 1.409 33.485 31.823 0.421 0.000 1.057 114 V HN 0.480 nan 8.190 nan 0.000 0.438 115 P HA 0.185 nan 4.420 nan 0.000 0.267 115 P C 1.085 178.531 177.300 0.242 0.000 1.200 115 P CA 0.574 63.775 63.100 0.168 0.000 0.772 115 P CB 0.550 32.324 31.700 0.124 0.000 0.855 116 T N -1.563 113.104 114.554 0.188 0.000 2.867 116 T HA -0.074 4.276 4.350 -0.000 0.000 0.268 116 T C 0.653 175.463 174.700 0.183 0.000 1.057 116 T CA 0.861 63.075 62.100 0.190 0.000 1.136 116 T CB -0.345 68.600 68.868 0.129 0.000 0.874 116 T HN 0.272 nan 8.240 nan 0.000 0.466 117 E N 3.118 123.426 120.200 0.180 0.000 1.865 117 E HA 0.245 4.595 4.350 -0.000 0.000 0.269 117 E C -0.705 176.047 176.600 0.254 0.000 1.177 117 E CA -0.114 56.395 56.400 0.183 0.000 0.932 117 E CB -0.010 29.803 29.700 0.190 0.000 1.066 117 E HN 0.327 nan 8.360 nan 0.000 0.405 118 N N 3.659 122.478 118.700 0.199 0.000 2.626 118 N HA 0.241 4.981 4.740 -0.000 0.000 0.242 118 N C -2.800 172.731 175.510 0.034 0.000 1.005 118 N CA -2.377 50.812 53.050 0.231 0.000 0.905 118 N CB 1.079 39.687 38.487 0.203 0.000 1.128 118 N HN -0.073 nan 8.380 nan 0.000 0.512 119 P HA -0.028 nan 4.420 nan 0.000 0.257 119 P C -0.882 176.325 177.300 -0.154 0.000 1.162 119 P CA 0.658 63.718 63.100 -0.068 0.000 0.762 119 P CB 0.348 32.318 31.700 0.449 0.000 0.753 120 T N 3.129 117.334 114.554 -0.581 0.000 2.786 120 T HA 0.529 4.879 4.350 -0.000 0.000 0.283 120 T C 0.386 174.632 174.700 -0.755 0.000 0.992 120 T CA -0.564 61.264 62.100 -0.453 0.000 0.954 120 T CB 1.433 70.066 68.868 -0.391 0.000 0.934 120 T HN 0.311 nan 8.240 nan 0.000 0.440 121 G N 1.169 109.630 108.800 -0.566 0.000 2.347 121 G HA2 0.455 4.415 3.960 -0.000 0.000 0.314 121 G HA3 0.455 4.415 3.960 -0.000 0.000 0.314 121 G C -0.198 174.568 174.900 -0.223 0.000 1.126 121 G CA -0.361 44.377 45.100 -0.604 0.000 0.929 121 G HN 0.861 nan 8.290 nan 0.000 0.441 122 C N 3.491 122.401 119.300 -0.651 0.000 2.200 122 C HA 0.435 4.895 4.460 -0.000 0.000 0.328 122 C C -0.417 174.573 174.990 0.000 0.000 1.148 122 C CA -0.932 57.801 59.018 -0.475 0.000 1.624 122 C CB -1.782 25.234 27.740 -1.208 0.000 2.167 122 C HN 0.626 nan 8.230 nan 0.000 0.484 123 Y N 1.996 122.593 120.300 0.495 0.000 2.376 123 Y HA 0.622 5.172 4.550 -0.000 0.000 0.325 123 Y C 0.848 177.208 175.900 0.767 0.000 1.199 123 Y CA -0.128 58.373 58.100 0.668 0.000 1.206 123 Y CB 1.364 40.202 38.460 0.630 0.000 1.229 123 Y HN 0.669 nan 8.280 nan 0.000 0.480 124 S N 2.142 118.329 115.700 0.811 0.000 2.550 124 S HA 0.774 5.244 4.470 -0.000 0.000 0.270 124 S C -1.932 172.754 174.600 0.142 0.000 1.145 124 S CA -0.827 57.624 58.200 0.419 0.000 0.852 124 S CB 2.003 65.367 63.200 0.273 0.000 1.119 124 S HN 0.629 nan 8.310 nan 0.000 0.465 125 L N 0.947 122.070 121.223 -0.167 0.000 2.493 125 L HA 0.705 5.045 4.340 -0.000 0.000 0.265 125 L C -1.116 175.704 176.870 -0.082 0.000 0.954 125 L CA 0.094 54.687 54.840 -0.412 0.000 0.844 125 L CB 2.285 43.553 42.059 -1.317 0.000 1.302 125 L HN 0.881 nan 8.230 nan 0.000 0.405 126 T N 6.042 120.572 114.554 -0.040 0.000 2.743 126 T HA 0.662 5.012 4.350 -0.000 0.000 0.292 126 T C -0.683 174.053 174.700 0.060 0.000 0.972 126 T CA 0.060 62.162 62.100 0.004 0.000 0.967 126 T CB -0.091 68.753 68.868 -0.039 0.000 0.926 126 T HN 0.443 nan 8.240 nan 0.000 0.459 127 F N 1.057 120.907 119.950 -0.166 0.000 2.629 127 F HA 0.686 5.213 4.527 -0.000 0.000 0.316 127 F C -0.481 175.243 175.800 -0.128 0.000 1.081 127 F CA -1.422 56.484 58.000 -0.158 0.000 0.954 127 F CB 1.472 40.356 39.000 -0.193 0.000 1.337 127 F HN 0.162 nan 8.300 nan 0.000 0.474 128 N N 0.851 119.460 118.700 -0.152 0.000 2.456 128 N HA 0.593 5.333 4.740 -0.000 0.000 0.296 128 N C -1.526 173.858 175.510 -0.211 0.000 1.102 128 N CA -0.480 52.432 53.050 -0.229 0.000 0.924 128 N CB 2.532 40.936 38.487 -0.138 0.000 1.186 128 N HN 0.470 nan 8.380 nan 0.000 0.492 129 V N 1.572 121.337 119.914 -0.249 0.000 2.531 129 V HA 0.147 4.267 4.120 -0.000 0.000 0.301 129 V C -0.634 175.332 176.094 -0.214 0.000 1.034 129 V CA -0.957 61.195 62.300 -0.246 0.000 0.865 129 V CB 1.911 33.648 31.823 -0.143 0.000 0.995 129 V HN 0.523 nan 8.190 nan 0.000 0.424 130 D N 2.801 123.009 120.400 -0.321 0.000 2.443 130 D HA 0.059 4.699 4.640 -0.000 0.000 0.239 130 D C 1.439 177.731 176.300 -0.013 0.000 1.136 130 D CA 0.127 54.026 54.000 -0.169 0.000 0.879 130 D CB 0.948 41.632 40.800 -0.193 0.000 1.195 130 D HN 0.810 nan 8.370 nan 0.000 0.443 131 E N 0.449 120.660 120.200 0.019 0.000 2.153 131 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 131 E C 1.483 178.152 176.600 0.114 0.000 0.988 131 E CA 1.176 57.611 56.400 0.058 0.000 0.811 131 E CB -0.215 29.504 29.700 0.032 0.000 0.746 131 E HN 0.377 nan 8.360 nan 0.000 0.466 132 S N 0.297 116.075 115.700 0.130 0.000 2.419 132 S HA -0.180 4.290 4.470 -0.000 0.000 0.235 132 S C 1.428 176.116 174.600 0.147 0.000 1.019 132 S CA 0.861 59.137 58.200 0.127 0.000 0.982 132 S CB -0.719 62.552 63.200 0.118 0.000 0.789 132 S HN 0.458 nan 8.310 nan 0.000 0.490 133 W N 1.491 122.733 121.300 -0.097 0.000 2.519 133 W HA 0.374 5.034 4.660 0.000 0.000 0.266 133 W C 1.842 178.433 176.519 0.119 0.000 1.253 133 W CA -0.034 57.255 57.345 -0.094 0.000 1.274 133 W CB -0.356 29.105 29.460 0.002 0.000 1.114 133 W HN 0.314 nan 8.180 nan 0.000 0.596 134 L N -0.810 120.586 121.223 0.288 0.000 2.556 134 L HA 0.082 4.422 4.340 -0.000 0.000 0.226 134 L C 1.884 178.840 176.870 0.144 0.000 1.089 134 L CA 0.350 55.315 54.840 0.209 0.000 0.864 134 L CB -0.534 41.618 42.059 0.155 0.000 1.067 134 L HN -0.095 nan 8.230 nan 0.000 0.477 135 Q N 1.136 121.009 119.800 0.122 0.000 2.436 135 Q HA -0.029 4.311 4.340 -0.000 0.000 0.209 135 Q C -0.174 175.877 176.000 0.085 0.000 0.965 135 Q CA 0.554 56.407 55.803 0.084 0.000 0.910 135 Q CB 0.271 29.048 28.738 0.064 0.000 0.980 135 Q HN 0.592 nan 8.270 nan 0.000 0.491 136 E N -2.243 118.031 120.200 0.123 0.000 2.403 136 E HA 0.495 4.845 4.350 -0.000 0.000 0.280 136 E C -0.336 176.383 176.600 0.198 0.000 1.101 136 E CA -0.607 55.863 56.400 0.118 0.000 0.856 136 E CB 0.553 30.304 29.700 0.085 0.000 1.303 136 E HN 0.049 nan 8.360 nan 0.000 0.441 137 G N 0.671 109.520 108.800 0.082 0.000 2.741 137 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.222 137 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.222 137 G C -0.846 173.962 174.900 -0.153 0.000 1.364 137 G CA 0.027 45.077 45.100 -0.084 0.000 0.866 137 G HN 0.767 nan 8.290 nan 0.000 0.555 138 Q N -0.411 119.155 119.800 -0.390 0.000 2.330 138 Q HA 0.631 4.971 4.340 -0.000 0.000 0.269 138 Q C -0.923 174.925 176.000 -0.254 0.000 1.022 138 Q CA -0.481 55.194 55.803 -0.212 0.000 0.796 138 Q CB 1.486 30.139 28.738 -0.142 0.000 1.271 138 Q HN 0.605 nan 8.270 nan 0.000 0.450 139 T N 5.148 119.715 114.554 0.021 0.000 2.756 139 T HA 0.458 4.808 4.350 -0.000 0.000 0.290 139 T C -0.562 174.248 174.700 0.182 0.000 0.985 139 T CA -0.604 61.605 62.100 0.182 0.000 0.955 139 T CB 0.466 69.590 68.868 0.426 0.000 0.930 139 T HN 0.634 nan 8.240 nan 0.000 0.451 140 R N 2.978 123.574 120.500 0.158 0.000 2.832 140 R HA 0.784 5.124 4.340 -0.000 0.000 0.271 140 R C -1.087 175.309 176.300 0.159 0.000 0.996 140 R CA -1.000 55.193 56.100 0.154 0.000 0.977 140 R CB 1.544 31.910 30.300 0.110 0.000 1.168 140 R HN 0.562 nan 8.270 nan 0.000 0.482 141 I N 2.506 123.171 120.570 0.158 0.000 2.441 141 I HA 0.445 4.615 4.170 -0.000 0.000 0.295 141 I C -1.152 175.011 176.117 0.077 0.000 0.994 141 I CA -1.343 59.999 61.300 0.071 0.000 1.144 141 I CB 1.436 39.468 38.000 0.052 0.000 1.314 141 I HN 0.635 nan 8.210 nan 0.000 0.445 142 I N 7.329 127.847 120.570 -0.086 0.000 2.418 142 I HA 0.293 4.463 4.170 -0.000 0.000 0.287 142 I C -1.269 174.708 176.117 -0.234 0.000 1.008 142 I CA -0.404 60.860 61.300 -0.059 0.000 1.104 142 I CB 1.472 39.445 38.000 -0.045 0.000 1.264 142 I HN 0.399 nan 8.210 nan 0.000 0.438 143 F N 4.534 124.473 119.950 -0.019 0.000 2.308 143 F HA 0.266 4.793 4.527 -0.000 0.000 0.370 143 F C 1.337 177.028 175.800 -0.181 0.000 1.100 143 F CA -0.479 57.441 58.000 -0.133 0.000 1.108 143 F CB 0.672 39.561 39.000 -0.186 0.000 1.293 143 F HN 0.459 nan 8.300 nan 0.000 0.478 144 D N 2.343 122.662 120.400 -0.135 0.000 2.263 144 D HA 0.014 4.654 4.640 -0.000 0.000 0.208 144 D C 1.014 177.144 176.300 -0.285 0.000 0.971 144 D CA 1.007 54.877 54.000 -0.217 0.000 0.867 144 D CB 0.356 40.966 40.800 -0.318 0.000 0.929 144 D HN 0.633 nan 8.370 nan 0.000 0.492 145 G N -0.544 108.036 108.800 -0.366 0.000 2.455 145 G HA2 0.424 4.384 3.960 -0.000 0.000 0.298 145 G HA3 0.424 4.384 3.960 -0.000 0.000 0.298 145 G C -1.482 173.151 174.900 -0.444 0.000 1.349 145 G CA -0.467 44.306 45.100 -0.545 0.000 1.220 145 G HN -0.052 nan 8.290 nan 0.000 0.598 146 V N 2.608 122.458 119.914 -0.106 0.000 2.525 146 V HA 0.526 4.646 4.120 -0.000 0.000 0.299 146 V C -0.757 175.434 176.094 0.161 0.000 1.034 146 V CA -1.222 61.036 62.300 -0.070 0.000 0.863 146 V CB 1.933 33.477 31.823 -0.465 0.000 0.999 146 V HN 0.689 nan 8.190 nan 0.000 0.423 147 N N 2.482 121.275 118.700 0.154 0.000 2.444 147 N HA 0.319 5.059 4.740 -0.000 0.000 0.262 147 N C 0.617 176.074 175.510 -0.089 0.000 0.974 147 N CA 0.172 53.215 53.050 -0.010 0.000 0.933 147 N CB 2.133 40.441 38.487 -0.298 0.000 1.137 147 N HN 0.731 nan 8.380 nan 0.000 0.498 148 S N 1.789 117.473 115.700 -0.027 0.000 2.578 148 S HA 0.572 5.042 4.470 -0.000 0.000 0.228 148 S C 0.250 174.914 174.600 0.108 0.000 1.022 148 S CA -0.065 58.165 58.200 0.050 0.000 0.967 148 S CB 0.379 63.619 63.200 0.068 0.000 0.914 148 S HN 0.635 nan 8.310 nan 0.000 0.515 149 A N 0.884 123.778 122.820 0.123 0.000 2.612 149 A HA 0.785 5.105 4.320 -0.000 0.000 0.293 149 A C -1.313 176.357 177.584 0.144 0.000 1.075 149 A CA -0.930 51.138 52.037 0.053 0.000 0.680 149 A CB 0.881 19.941 19.000 0.100 0.000 1.279 149 A HN 1.177 nan 8.150 nan 0.000 0.411 150 F N -0.564 119.197 119.950 -0.316 0.000 2.744 150 F HA 0.733 5.260 4.527 -0.000 0.000 0.311 150 F C -1.359 174.318 175.800 -0.206 0.000 1.144 150 F CA -0.762 57.141 58.000 -0.162 0.000 0.938 150 F CB 1.029 39.929 39.000 -0.168 0.000 1.292 150 F HN 0.647 nan 8.300 nan 0.000 0.444 151 H N 1.830 121.011 119.070 0.186 0.000 2.529 151 H HA 0.741 5.297 4.556 -0.000 0.000 0.348 151 H C -1.484 173.787 175.328 -0.094 0.000 1.152 151 H CA -0.750 55.295 56.048 -0.005 0.000 1.202 151 H CB 2.479 32.258 29.762 0.027 0.000 1.562 151 H HN 0.806 nan 8.280 nan 0.000 0.515 152 L N 2.735 123.717 121.223 -0.402 0.000 2.386 152 L HA 0.415 4.755 4.340 -0.000 0.000 0.271 152 L C -1.639 174.908 176.870 -0.538 0.000 0.993 152 L CA -0.483 54.164 54.840 -0.322 0.000 0.819 152 L CB 1.460 43.206 42.059 -0.521 0.000 1.294 152 L HN 0.500 nan 8.230 nan 0.000 0.414 153 W N 4.338 125.592 121.300 -0.077 0.000 2.844 153 W HA 0.597 5.257 4.660 0.000 0.000 0.340 153 W C -1.189 175.277 176.519 -0.089 0.000 1.093 153 W CA -0.784 56.512 57.345 -0.083 0.000 1.212 153 W CB 2.073 31.522 29.460 -0.017 0.000 1.422 153 W HN 0.591 nan 8.180 nan 0.000 0.515 154 C N 4.750 124.143 119.300 0.155 0.000 2.397 154 C HA 0.300 4.760 4.460 -0.000 0.000 0.325 154 C C 0.272 175.392 174.990 0.216 0.000 1.201 154 C CA -0.330 58.778 59.018 0.150 0.000 1.377 154 C CB -0.465 27.316 27.740 0.068 0.000 2.038 154 C HN 0.805 nan 8.230 nan 0.000 0.457 155 N N 3.573 122.354 118.700 0.134 0.000 2.727 155 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 155 N C 1.006 176.576 175.510 0.101 0.000 1.048 155 N CA 1.948 55.050 53.050 0.087 0.000 0.714 155 N CB -1.228 37.315 38.487 0.094 0.000 0.959 155 N HN 1.796 nan 8.380 nan 0.000 0.544 156 G N -1.108 107.744 108.800 0.086 0.000 2.234 156 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.260 156 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.260 156 G C 0.171 175.224 174.900 0.255 0.000 0.987 156 G CA 0.707 45.853 45.100 0.076 0.000 0.625 156 G HN 0.560 nan 8.290 nan 0.000 0.532 157 R N -0.876 119.845 120.500 0.370 0.000 2.368 157 R HA 0.440 4.780 4.340 -0.000 0.000 0.302 157 R C -0.108 176.537 176.300 0.575 0.000 1.002 157 R CA -0.841 55.556 56.100 0.495 0.000 0.929 157 R CB 0.971 31.567 30.300 0.493 0.000 1.073 157 R HN 0.227 nan 8.270 nan 0.000 0.464 158 W N 3.629 125.145 121.300 0.360 0.000 2.251 158 W HA 0.069 4.729 4.660 -0.000 0.000 0.327 158 W C 0.049 176.488 176.519 -0.134 0.000 1.361 158 W CA 0.049 57.293 57.345 -0.167 0.000 1.234 158 W CB 0.640 29.987 29.460 -0.188 0.000 1.212 158 W HN 0.343 nan 8.180 nan 0.000 0.557 159 V N 5.260 124.414 119.914 -1.266 0.000 2.743 159 V HA 0.537 4.657 4.120 -0.000 0.000 0.237 159 V C 1.029 176.157 176.094 -1.610 0.000 1.113 159 V CA 1.024 62.552 62.300 -1.287 0.000 1.141 159 V CB -0.387 30.717 31.823 -1.199 0.000 0.873 159 V HN 0.794 nan 8.190 nan 0.000 0.486 160 G N -1.834 105.833 108.800 -1.888 0.000 2.490 160 G HA2 0.503 4.463 3.960 -0.000 0.000 0.308 160 G HA3 0.503 4.463 3.960 -0.000 0.000 0.308 160 G C -2.427 172.119 174.900 -0.590 0.000 1.286 160 G CA -0.285 44.056 45.100 -1.265 0.000 0.825 160 G HN -0.000 nan 8.290 nan 0.000 0.479 161 Y N -0.669 119.445 120.300 -0.310 0.000 2.588 161 Y HA 0.707 5.257 4.550 -0.000 0.000 0.343 161 Y C -0.112 175.589 175.900 -0.332 0.000 1.065 161 Y CA -0.065 57.789 58.100 -0.410 0.000 1.038 161 Y CB 2.315 40.665 38.460 -0.183 0.000 1.297 161 Y HN 1.281 nan 8.280 nan 0.000 0.467 162 G N 3.502 111.449 108.800 -1.422 0.000 2.732 162 G HA2 0.533 4.493 3.960 -0.000 0.000 0.296 162 G HA3 0.533 4.493 3.960 -0.000 0.000 0.296 162 G C -2.193 172.231 174.900 -0.793 0.000 1.448 162 G CA -0.841 43.740 45.100 -0.866 0.000 0.911 162 G HN 0.631 nan 8.290 nan 0.000 0.528 163 Q N -0.263 119.331 119.800 -0.343 0.000 2.873 163 Q HA 0.614 4.954 4.340 -0.000 0.000 0.297 163 Q C -1.215 174.778 176.000 -0.011 0.000 1.064 163 Q CA -0.807 54.916 55.803 -0.133 0.000 0.816 163 Q CB 2.400 31.119 28.738 -0.032 0.000 1.481 163 Q HN 0.672 nan 8.270 nan 0.000 0.488 164 D N -0.306 120.126 120.400 0.054 0.000 4.531 164 D HA -0.098 4.542 4.640 -0.000 0.000 0.229 164 D C -0.451 175.906 176.300 0.096 0.000 1.248 164 D CA 0.531 54.578 54.000 0.078 0.000 1.039 164 D CB -0.490 40.338 40.800 0.047 0.000 0.609 164 D HN 0.541 nan 8.370 nan 0.000 0.283 165 S N 3.464 119.237 115.700 0.122 0.000 2.474 165 S HA -0.083 4.387 4.470 -0.000 0.000 0.235 165 S C 1.587 176.315 174.600 0.212 0.000 0.997 165 S CA 0.610 58.915 58.200 0.174 0.000 0.949 165 S CB 0.239 63.514 63.200 0.125 0.000 0.766 165 S HN 0.477 nan 8.310 nan 0.000 0.517 166 R N 0.183 120.765 120.500 0.137 0.000 2.432 166 R HA 0.422 4.762 4.340 -0.000 0.000 0.260 166 R C -0.206 176.136 176.300 0.070 0.000 0.935 166 R CA 0.061 56.232 56.100 0.119 0.000 1.080 166 R CB 0.002 30.393 30.300 0.151 0.000 1.155 166 R HN 0.343 nan 8.270 nan 0.000 0.531 167 L N 1.909 123.151 121.223 0.031 0.000 2.354 167 L HA 0.496 4.836 4.340 -0.000 0.000 0.264 167 L C -2.306 174.534 176.870 -0.050 0.000 1.008 167 L CA -2.309 52.522 54.840 -0.015 0.000 0.819 167 L CB 2.857 44.904 42.059 -0.021 0.000 1.339 167 L HN -0.206 nan 8.230 nan 0.000 0.420 168 P HA 0.095 nan 4.420 nan 0.000 0.276 168 P C -0.958 176.295 177.300 -0.078 0.000 1.230 168 P CA -0.207 62.840 63.100 -0.088 0.000 0.776 168 P CB 1.274 32.889 31.700 -0.142 0.000 0.888 169 S N 2.250 117.962 115.700 0.021 0.000 2.449 169 S HA 0.309 4.779 4.470 -0.000 0.000 0.310 169 S C -0.317 174.220 174.600 -0.104 0.000 1.096 169 S CA -0.519 57.647 58.200 -0.056 0.000 1.095 169 S CB 0.807 64.127 63.200 0.200 0.000 1.007 169 S HN 0.390 nan 8.310 nan 0.000 0.474 170 E N 1.874 121.816 120.200 -0.430 0.000 2.212 170 E HA 0.584 4.934 4.350 -0.000 0.000 0.268 170 E C -1.427 174.790 176.600 -0.638 0.000 0.902 170 E CA -0.534 55.687 56.400 -0.297 0.000 0.779 170 E CB 1.585 31.215 29.700 -0.116 0.000 1.172 170 E HN 0.422 nan 8.360 nan 0.000 0.409 171 F N 0.581 120.580 119.950 0.082 0.000 2.578 171 F HA 0.217 4.744 4.527 -0.000 0.000 0.311 171 F C -0.047 175.771 175.800 0.030 0.000 1.094 171 F CA -1.118 56.894 58.000 0.020 0.000 0.923 171 F CB 1.512 40.490 39.000 -0.036 0.000 1.230 171 F HN 0.260 nan 8.300 nan 0.000 0.450 172 D N 2.867 123.387 120.400 0.199 0.000 2.336 172 D HA 0.235 4.875 4.640 -0.000 0.000 0.249 172 D C 0.339 176.762 176.300 0.205 0.000 1.213 172 D CA 0.274 54.376 54.000 0.171 0.000 0.870 172 D CB 0.960 41.848 40.800 0.146 0.000 1.076 172 D HN 0.576 nan 8.370 nan 0.000 0.483 173 L N 2.704 124.057 121.223 0.216 0.000 2.640 173 L HA 0.030 4.370 4.340 -0.000 0.000 0.230 173 L C 2.151 179.243 176.870 0.369 0.000 1.123 173 L CA -0.181 54.822 54.840 0.272 0.000 0.900 173 L CB 0.059 42.249 42.059 0.219 0.000 1.146 173 L HN 0.257 nan 8.230 nan 0.000 0.484 174 S N 1.408 117.276 115.700 0.280 0.000 2.389 174 S HA -0.281 4.189 4.470 -0.000 0.000 0.231 174 S C 1.994 176.706 174.600 0.187 0.000 1.052 174 S CA 1.894 60.222 58.200 0.214 0.000 1.053 174 S CB -0.148 63.136 63.200 0.140 0.000 0.886 174 S HN 0.574 nan 8.310 nan 0.000 0.456 175 A N -0.675 122.254 122.820 0.182 0.000 2.251 175 A HA 0.383 4.703 4.320 -0.000 0.000 0.209 175 A C 1.187 178.678 177.584 -0.155 0.000 1.187 175 A CA 0.150 52.170 52.037 -0.028 0.000 0.823 175 A CB -0.322 18.576 19.000 -0.170 0.000 0.846 175 A HN 0.470 nan 8.150 nan 0.000 0.486 176 F N -0.685 119.306 119.950 0.068 0.000 2.717 176 F HA 0.379 4.906 4.527 -0.000 0.000 0.297 176 F C 0.606 176.442 175.800 0.060 0.000 1.113 176 F CA -0.205 57.834 58.000 0.065 0.000 1.319 176 F CB 0.051 39.094 39.000 0.073 0.000 1.097 176 F HN -0.037 nan 8.300 nan 0.000 0.595 177 L N 1.432 122.801 121.223 0.244 0.000 2.399 177 L HA 0.528 4.868 4.340 -0.000 0.000 0.265 177 L C 0.185 177.097 176.870 0.069 0.000 1.089 177 L CA -0.755 54.171 54.840 0.143 0.000 0.802 177 L CB 1.205 43.367 42.059 0.172 0.000 1.180 177 L HN 0.040 nan 8.230 nan 0.000 0.454 178 R N 1.276 121.779 120.500 0.006 0.000 2.837 178 R HA 0.813 5.153 4.340 -0.000 0.000 0.271 178 R C -1.044 175.232 176.300 -0.041 0.000 0.993 178 R CA -0.927 55.166 56.100 -0.012 0.000 0.931 178 R CB 1.564 31.846 30.300 -0.030 0.000 1.206 178 R HN 0.550 nan 8.270 nan 0.000 0.474 179 A N 1.241 124.046 122.820 -0.026 0.000 2.477 179 A HA 0.522 4.842 4.320 -0.000 0.000 0.246 179 A C 1.011 178.548 177.584 -0.078 0.000 1.078 179 A CA 0.977 52.990 52.037 -0.040 0.000 0.770 179 A CB -0.539 18.452 19.000 -0.016 0.000 1.011 179 A HN 1.316 nan 8.150 nan 0.000 0.494 180 G N 1.850 110.583 108.800 -0.112 0.000 2.601 180 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.224 180 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.224 180 G C -0.268 174.510 174.900 -0.204 0.000 1.171 180 G CA 0.034 45.056 45.100 -0.130 0.000 1.009 180 G HN 0.933 nan 8.290 nan 0.000 0.589 181 E N 1.553 121.637 120.200 -0.193 0.000 2.331 181 E HA 0.499 4.849 4.350 -0.000 0.000 0.272 181 E C -0.178 176.226 176.600 -0.326 0.000 1.036 181 E CA -0.281 55.964 56.400 -0.258 0.000 0.864 181 E CB 0.696 30.295 29.700 -0.168 0.000 1.035 181 E HN 0.429 nan 8.360 nan 0.000 0.408 182 N N 1.963 120.345 118.700 -0.531 0.000 2.416 182 N HA 0.354 5.094 4.740 -0.000 0.000 0.276 182 N C -1.185 174.105 175.510 -0.367 0.000 1.261 182 N CA -0.727 52.013 53.050 -0.517 0.000 0.790 182 N CB 2.443 40.432 38.487 -0.828 0.000 1.554 182 N HN 0.286 nan 8.380 nan 0.000 0.481 183 R N 1.575 122.017 120.500 -0.098 0.000 2.476 183 R HA 0.480 4.820 4.340 -0.000 0.000 0.305 183 R C -1.215 175.158 176.300 0.122 0.000 0.965 183 R CA -0.478 55.639 56.100 0.029 0.000 0.867 183 R CB 0.923 31.196 30.300 -0.046 0.000 1.176 183 R HN 0.485 nan 8.270 nan 0.000 0.447 184 L N 3.254 124.585 121.223 0.181 0.000 2.334 184 L HA 0.706 5.046 4.340 -0.000 0.000 0.277 184 L C -0.152 176.777 176.870 0.098 0.000 1.075 184 L CA -0.840 54.095 54.840 0.158 0.000 0.804 184 L CB 1.845 43.969 42.059 0.108 0.000 1.174 184 L HN 0.742 nan 8.230 nan 0.000 0.438 185 A N 3.299 126.195 122.820 0.126 0.000 2.335 185 A HA 0.745 5.065 4.320 -0.000 0.000 0.304 185 A C -0.999 176.857 177.584 0.454 0.000 1.118 185 A CA -0.450 51.580 52.037 -0.011 0.000 0.757 185 A CB 1.498 20.106 19.000 -0.653 0.000 1.188 185 A HN 0.383 nan 8.150 nan 0.000 0.460 186 V N 3.401 123.752 119.914 0.727 0.000 2.443 186 V HA 0.452 4.572 4.120 -0.000 0.000 0.293 186 V C -0.124 176.505 176.094 0.891 0.000 1.021 186 V CA -0.276 62.459 62.300 0.724 0.000 0.848 186 V CB 1.503 33.580 31.823 0.423 0.000 0.998 186 V HN 0.969 nan 8.190 nan 0.000 0.424 187 M N 6.116 126.254 119.600 0.897 0.000 2.055 187 M HA 0.545 5.025 4.480 -0.000 0.000 0.347 187 M C -1.357 175.206 176.300 0.437 0.000 1.123 187 M CA -0.332 55.324 55.300 0.592 0.000 1.035 187 M CB 0.977 33.960 32.600 0.639 0.000 1.484 187 M HN 0.476 nan 8.290 nan 0.000 0.428 188 V N 6.842 126.975 119.914 0.366 0.000 2.407 188 V HA 0.374 4.494 4.120 -0.000 0.000 0.278 188 V C -0.094 176.160 176.094 0.267 0.000 1.037 188 V CA -0.630 61.880 62.300 0.349 0.000 0.900 188 V CB 1.299 33.396 31.823 0.456 0.000 0.983 188 V HN 0.792 nan 8.190 nan 0.000 0.459 189 L N 4.957 126.271 121.223 0.151 0.000 2.289 189 L HA 0.528 4.868 4.340 -0.000 0.000 0.285 189 L C 1.510 178.403 176.870 0.039 0.000 1.049 189 L CA -0.374 54.483 54.840 0.028 0.000 0.804 189 L CB 1.221 43.196 42.059 -0.140 0.000 1.195 189 L HN 0.619 nan 8.230 nan 0.000 0.428 190 R N 2.706 123.181 120.500 -0.043 0.000 2.066 190 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 190 R C -0.325 175.680 176.300 -0.492 0.000 1.131 190 R CA 1.180 57.021 56.100 -0.432 0.000 0.955 190 R CB 0.203 30.087 30.300 -0.693 0.000 0.851 190 R HN 0.572 nan 8.270 nan 0.000 0.432 191 W N 0.293 121.664 121.300 0.119 0.000 2.627 191 W HA 0.418 5.078 4.660 -0.000 0.000 0.339 191 W C -0.236 176.406 176.519 0.204 0.000 1.058 191 W CA -0.814 56.610 57.345 0.132 0.000 1.223 191 W CB 1.723 31.264 29.460 0.134 0.000 1.389 191 W HN 0.041 nan 8.180 nan 0.000 0.541 192 S N -1.037 114.964 115.700 0.502 0.000 2.672 192 S HA 0.207 4.677 4.470 -0.000 0.000 0.271 192 S C 0.047 174.920 174.600 0.455 0.000 1.171 192 S CA -0.436 58.062 58.200 0.497 0.000 0.817 192 S CB 1.125 64.583 63.200 0.430 0.000 1.150 192 S HN 0.613 nan 8.310 nan 0.000 0.478 193 D N 0.308 120.969 120.400 0.436 0.000 2.264 193 D HA 0.096 4.736 4.640 -0.000 0.000 0.208 193 D C 1.747 178.373 176.300 0.542 0.000 0.966 193 D CA 1.079 55.379 54.000 0.500 0.000 0.864 193 D CB -0.679 40.270 40.800 0.248 0.000 0.933 193 D HN 0.698 nan 8.370 nan 0.000 0.499 194 G N 0.080 109.115 108.800 0.391 0.000 2.471 194 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 194 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 194 G C 1.673 176.769 174.900 0.327 0.000 1.125 194 G CA 0.607 45.908 45.100 0.336 0.000 0.775 194 G HN 0.296 nan 8.290 nan 0.000 0.548 195 S N -0.034 115.856 115.700 0.318 0.000 2.419 195 S HA -0.099 4.371 4.470 -0.000 0.000 0.233 195 S C 1.863 176.578 174.600 0.191 0.000 1.016 195 S CA 0.676 59.028 58.200 0.253 0.000 0.974 195 S CB -0.386 62.977 63.200 0.272 0.000 0.786 195 S HN 0.546 nan 8.310 nan 0.000 0.492 196 Y N 1.078 121.512 120.300 0.224 0.000 2.497 196 Y HA 0.103 4.653 4.550 -0.000 0.000 0.292 196 Y C 1.554 177.557 175.900 0.173 0.000 1.137 196 Y CA 0.611 58.772 58.100 0.102 0.000 1.285 196 Y CB -0.199 38.147 38.460 -0.189 0.000 0.991 196 Y HN 0.202 nan 8.280 nan 0.000 0.556 197 L N -0.311 121.096 121.223 0.307 0.000 2.728 197 L HA 0.150 4.490 4.340 -0.000 0.000 0.238 197 L C 0.007 177.007 176.870 0.216 0.000 1.143 197 L CA 0.348 55.325 54.840 0.229 0.000 0.937 197 L CB 0.137 42.336 42.059 0.234 0.000 1.225 197 L HN 0.141 nan 8.230 nan 0.000 0.507 198 E N -0.071 120.267 120.200 0.230 0.000 3.846 198 E HA 0.055 4.405 4.350 -0.000 0.000 0.216 198 E C -0.569 176.125 176.600 0.157 0.000 1.092 198 E CA -0.052 56.469 56.400 0.201 0.000 1.370 198 E CB 0.533 30.347 29.700 0.191 0.000 1.227 198 E HN 0.026 nan 8.360 nan 0.000 0.442 199 D N 1.275 121.719 120.400 0.074 0.000 2.706 199 D HA 0.028 4.668 4.640 -0.000 0.000 0.236 199 D C -0.170 176.109 176.300 -0.035 0.000 1.231 199 D CA -0.122 53.805 54.000 -0.122 0.000 0.828 199 D CB 0.181 40.637 40.800 -0.573 0.000 1.015 199 D HN 0.046 nan 8.370 nan 0.000 0.484 200 Q N 0.422 120.301 119.800 0.131 0.000 2.432 200 Q HA 0.130 4.470 4.340 -0.000 0.000 0.264 200 Q C -0.180 175.946 176.000 0.210 0.000 1.035 200 Q CA 0.081 56.038 55.803 0.257 0.000 0.908 200 Q CB 0.596 29.644 28.738 0.517 0.000 1.280 200 Q HN 0.104 nan 8.270 nan 0.000 0.455 201 D N 2.844 123.405 120.400 0.267 0.000 2.416 201 D HA 0.250 4.890 4.640 -0.000 0.000 0.240 201 D C -0.811 175.652 176.300 0.272 0.000 1.250 201 D CA 0.080 54.209 54.000 0.215 0.000 0.967 201 D CB -0.366 40.565 40.800 0.219 0.000 1.059 201 D HN 0.490 nan 8.370 nan 0.000 0.512 202 M N 0.698 120.416 119.600 0.196 0.000 3.069 202 M HA 0.335 4.815 4.480 -0.000 0.000 0.274 202 M C -1.416 174.990 176.300 0.177 0.000 1.146 202 M CA -1.174 54.183 55.300 0.096 0.000 0.807 202 M CB 0.879 33.441 32.600 -0.064 0.000 1.621 202 M HN -0.044 nan 8.290 nan 0.000 0.521 203 W N 2.008 123.402 121.300 0.157 0.000 2.257 203 W HA 0.303 4.963 4.660 -0.000 0.000 0.337 203 W C 0.287 176.826 176.519 0.033 0.000 1.321 203 W CA 0.085 57.509 57.345 0.132 0.000 1.267 203 W CB 0.345 29.825 29.460 0.033 0.000 1.187 203 W HN 0.296 nan 8.180 nan 0.000 0.565 204 R N 4.820 125.491 120.500 0.285 0.000 2.204 204 R HA 0.417 4.757 4.340 -0.000 0.000 0.341 204 R C -0.148 176.153 176.300 0.001 0.000 1.035 204 R CA -0.243 55.946 56.100 0.148 0.000 0.887 204 R CB 0.185 30.647 30.300 0.270 0.000 1.114 204 R HN 0.557 nan 8.270 nan 0.000 0.473 205 M N 0.229 119.718 119.600 -0.185 0.000 2.792 205 M HA 0.526 5.006 4.480 -0.000 0.000 0.290 205 M C -0.027 175.916 176.300 -0.595 0.000 1.155 205 M CA -0.815 54.250 55.300 -0.391 0.000 0.781 205 M CB 2.265 34.632 32.600 -0.388 0.000 1.741 205 M HN 0.643 nan 8.290 nan 0.000 0.473 206 S N -1.177 114.037 115.700 -0.810 0.000 2.611 206 S HA 0.934 5.404 4.470 -0.000 0.000 0.268 206 S C -0.623 173.475 174.600 -0.836 0.000 1.156 206 S CA -0.166 57.496 58.200 -0.896 0.000 0.817 206 S CB 1.680 64.181 63.200 -1.164 0.000 1.122 206 S HN 1.515 nan 8.310 nan 0.000 0.466 207 G N 0.036 108.594 108.800 -0.403 0.000 2.343 207 G HA2 0.141 4.101 3.960 -0.000 0.000 0.562 207 G HA3 0.141 4.101 3.960 -0.000 0.000 0.562 207 G C -1.234 173.648 174.900 -0.031 0.000 1.269 207 G CA -0.586 44.538 45.100 0.040 0.000 1.011 207 G HN 1.226 nan 8.290 nan 0.000 0.498 208 I N 2.132 122.539 120.570 -0.271 0.000 2.224 208 I HA 0.242 4.412 4.170 -0.000 0.000 0.293 208 I C 1.313 177.307 176.117 -0.205 0.000 1.155 208 I CA -0.151 60.907 61.300 -0.404 0.000 1.297 208 I CB -0.370 37.125 38.000 -0.842 0.000 1.487 208 I HN 0.497 nan 8.210 nan 0.000 0.564 209 F N 3.530 123.321 119.950 -0.266 0.000 2.765 209 F HA 0.408 4.935 4.527 -0.000 0.000 0.302 209 F C 0.793 176.500 175.800 -0.154 0.000 1.111 209 F CA -0.508 57.368 58.000 -0.206 0.000 1.359 209 F CB 0.034 38.919 39.000 -0.191 0.000 1.097 209 F HN 0.144 nan 8.300 nan 0.000 0.577 210 R N 0.564 120.673 120.500 -0.652 0.000 2.912 210 R HA 0.221 4.561 4.340 -0.000 0.000 0.262 210 R C -0.653 175.434 176.300 -0.353 0.000 1.057 210 R CA -1.144 54.642 56.100 -0.523 0.000 0.981 210 R CB 0.904 30.774 30.300 -0.717 0.000 1.201 210 R HN -0.004 nan 8.270 nan 0.000 0.484 211 D N 0.880 121.116 120.400 -0.274 0.000 2.478 211 D HA 0.075 4.715 4.640 -0.000 0.000 0.234 211 D C -0.425 175.729 176.300 -0.244 0.000 1.154 211 D CA 0.530 54.408 54.000 -0.203 0.000 0.874 211 D CB 0.754 41.476 40.800 -0.130 0.000 1.198 211 D HN -0.014 nan 8.370 nan 0.000 0.455 212 V N 1.091 120.868 119.914 -0.227 0.000 2.540 212 V HA 0.575 4.695 4.120 -0.000 0.000 0.302 212 V C 0.095 176.064 176.094 -0.208 0.000 1.035 212 V CA -0.529 61.574 62.300 -0.328 0.000 0.873 212 V CB 1.751 33.382 31.823 -0.320 0.000 0.992 212 V HN 0.800 nan 8.190 nan 0.000 0.428 213 S N 4.325 119.883 115.700 -0.236 0.000 2.656 213 S HA 0.815 5.285 4.470 -0.000 0.000 0.273 213 S C -1.441 173.108 174.600 -0.084 0.000 1.168 213 S CA -0.957 57.172 58.200 -0.117 0.000 0.817 213 S CB 1.769 64.940 63.200 -0.048 0.000 1.146 213 S HN 0.460 nan 8.310 nan 0.000 0.475 214 L N 1.325 122.565 121.223 0.028 0.000 2.356 214 L HA 0.685 5.025 4.340 -0.000 0.000 0.277 214 L C -1.449 175.604 176.870 0.305 0.000 0.996 214 L CA -0.834 54.107 54.840 0.168 0.000 0.822 214 L CB 1.705 43.889 42.059 0.208 0.000 1.256 214 L HN 0.685 nan 8.230 nan 0.000 0.413 215 L N 3.360 124.731 121.223 0.247 0.000 2.362 215 L HA 0.491 4.831 4.340 -0.000 0.000 0.275 215 L C -0.709 176.174 176.870 0.021 0.000 0.998 215 L CA -0.122 54.800 54.840 0.138 0.000 0.820 215 L CB 1.497 43.606 42.059 0.084 0.000 1.270 215 L HN 0.483 nan 8.230 nan 0.000 0.415 216 H N 5.268 124.117 119.070 -0.368 0.000 2.476 216 H HA 0.496 5.052 4.556 -0.000 0.000 0.328 216 H C -1.309 173.807 175.328 -0.354 0.000 1.073 216 H CA -0.601 55.109 56.048 -0.563 0.000 1.229 216 H CB 1.177 30.095 29.762 -1.406 0.000 1.432 216 H HN 0.535 nan 8.280 nan 0.000 0.477 217 K N 5.450 125.467 120.400 -0.639 0.000 2.328 217 K HA 0.382 4.702 4.320 -0.000 0.000 0.246 217 K C -2.735 173.603 176.600 -0.438 0.000 0.955 217 K CA -2.049 54.005 56.287 -0.388 0.000 0.817 217 K CB 2.193 34.547 32.500 -0.243 0.000 1.208 217 K HN 0.469 nan 8.250 nan 0.000 0.432 218 P HA 0.150 nan 4.420 nan 0.000 0.274 218 P C 0.518 177.742 177.300 -0.126 0.000 1.246 218 P CA -0.157 62.866 63.100 -0.128 0.000 0.795 218 P CB 0.519 32.186 31.700 -0.054 0.000 1.006 219 T N -1.203 113.305 114.554 -0.078 0.000 2.746 219 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 219 T C 0.611 175.273 174.700 -0.064 0.000 1.039 219 T CA 1.578 63.640 62.100 -0.063 0.000 1.142 219 T CB -0.654 68.195 68.868 -0.031 0.000 0.866 219 T HN 0.425 nan 8.240 nan 0.000 0.444 220 T N 3.788 118.311 114.554 -0.052 0.000 2.728 220 T HA 0.432 4.782 4.350 -0.000 0.000 0.296 220 T C -0.139 174.520 174.700 -0.069 0.000 0.940 220 T CA -0.582 61.480 62.100 -0.064 0.000 1.013 220 T CB 0.571 69.419 68.868 -0.034 0.000 0.912 220 T HN 0.478 nan 8.240 nan 0.000 0.484 221 Q N 2.628 122.373 119.800 -0.091 0.000 2.553 221 Q HA 0.601 4.941 4.340 -0.000 0.000 0.293 221 Q C -1.303 174.642 176.000 -0.091 0.000 1.038 221 Q CA -1.150 54.592 55.803 -0.101 0.000 0.777 221 Q CB 1.392 30.051 28.738 -0.131 0.000 1.487 221 Q HN 0.471 nan 8.270 nan 0.000 0.426 222 I N 2.569 123.063 120.570 -0.127 0.000 2.337 222 I HA 0.068 4.238 4.170 -0.000 0.000 0.291 222 I C 0.697 176.739 176.117 -0.126 0.000 1.046 222 I CA -0.158 61.088 61.300 -0.089 0.000 1.324 222 I CB 1.269 39.171 38.000 -0.163 0.000 1.409 222 I HN 0.871 nan 8.210 nan 0.000 0.494 223 S N 2.606 118.336 115.700 0.049 0.000 2.524 223 S HA 0.207 4.677 4.470 -0.000 0.000 0.215 223 S C 0.086 174.905 174.600 0.364 0.000 0.986 223 S CA -0.264 58.035 58.200 0.166 0.000 0.911 223 S CB 0.185 63.435 63.200 0.084 0.000 0.805 223 S HN 0.739 nan 8.310 nan 0.000 0.501 224 D N -0.334 120.291 120.400 0.375 0.000 2.912 224 D HA 0.462 5.102 4.640 -0.000 0.000 0.263 224 D C -1.950 174.533 176.300 0.305 0.000 1.152 224 D CA -0.683 53.521 54.000 0.340 0.000 0.728 224 D CB 1.064 41.955 40.800 0.151 0.000 1.337 224 D HN 0.203 nan 8.370 nan 0.000 0.435 225 F N -0.518 119.496 119.950 0.106 0.000 2.654 225 F HA 0.577 5.104 4.527 -0.000 0.000 0.314 225 F C -1.652 174.231 175.800 0.139 0.000 1.116 225 F CA -0.768 57.227 58.000 -0.007 0.000 1.017 225 F CB 1.019 40.060 39.000 0.068 0.000 1.285 225 F HN 0.273 nan 8.300 nan 0.000 0.448 226 H N 2.106 121.265 119.070 0.149 0.000 2.529 226 H HA 0.769 5.325 4.556 -0.000 0.000 0.348 226 H C -1.212 174.173 175.328 0.096 0.000 1.079 226 H CA -1.557 54.518 56.048 0.044 0.000 1.198 226 H CB 2.607 32.367 29.762 -0.004 0.000 1.521 226 H HN 0.604 nan 8.280 nan 0.000 0.514 227 V N 2.205 122.230 119.914 0.185 0.000 2.459 227 V HA 0.690 4.810 4.120 -0.000 0.000 0.295 227 V C -0.157 175.938 176.094 0.002 0.000 1.029 227 V CA -0.591 61.761 62.300 0.087 0.000 0.874 227 V CB 1.250 33.116 31.823 0.072 0.000 0.985 227 V HN 0.941 nan 8.190 nan 0.000 0.438 228 A N 3.179 125.976 122.820 -0.038 0.000 2.454 228 A HA 0.965 5.284 4.320 -0.000 0.000 0.302 228 A C -0.232 177.263 177.584 -0.147 0.000 1.079 228 A CA -0.528 51.469 52.037 -0.067 0.000 0.731 228 A CB 2.163 21.148 19.000 -0.026 0.000 1.299 228 A HN 0.942 nan 8.150 nan 0.000 0.413 229 T N -0.165 114.289 114.554 -0.167 0.000 2.890 229 T HA 0.674 5.024 4.350 -0.000 0.000 0.295 229 T C -0.554 173.946 174.700 -0.335 0.000 0.993 229 T CA -0.693 61.215 62.100 -0.319 0.000 0.979 229 T CB 0.905 69.491 68.868 -0.469 0.000 0.967 229 T HN 0.685 nan 8.240 nan 0.000 0.441 230 R N 2.110 122.365 120.500 -0.407 0.000 2.604 230 R HA 0.771 5.111 4.340 -0.000 0.000 0.287 230 R C -1.077 174.904 176.300 -0.531 0.000 0.970 230 R CA -0.738 55.207 56.100 -0.259 0.000 0.946 230 R CB 1.276 31.507 30.300 -0.115 0.000 1.127 230 R HN 0.535 nan 8.270 nan 0.000 0.473 231 F N 0.276 120.204 119.950 -0.037 0.000 2.620 231 F HA 0.312 4.839 4.527 0.000 0.000 0.320 231 F C 0.533 176.184 175.800 -0.248 0.000 1.069 231 F CA -1.246 56.672 58.000 -0.137 0.000 0.953 231 F CB 0.872 39.723 39.000 -0.248 0.000 1.322 231 F HN 0.508 nan 8.300 nan 0.000 0.479 232 N N -0.151 118.518 118.700 -0.051 0.000 2.405 232 N HA 0.085 4.825 4.740 -0.000 0.000 0.269 232 N C 0.400 175.755 175.510 -0.257 0.000 1.249 232 N CA -0.181 52.804 53.050 -0.108 0.000 0.974 232 N CB 0.135 38.592 38.487 -0.049 0.000 1.204 232 N HN 0.673 nan 8.380 nan 0.000 0.565 233 D N -1.032 119.270 120.400 -0.163 0.000 2.133 233 D HA -0.265 4.375 4.640 -0.000 0.000 0.195 233 D C 0.545 176.765 176.300 -0.133 0.000 0.997 233 D CA 1.772 55.679 54.000 -0.155 0.000 0.840 233 D CB -0.493 40.281 40.800 -0.043 0.000 0.947 233 D HN 0.748 nan 8.370 nan 0.000 0.452 234 D N -1.233 119.147 120.400 -0.033 0.000 2.368 234 D HA -0.027 4.613 4.640 -0.000 0.000 0.218 234 D C 0.066 176.555 176.300 0.315 0.000 1.112 234 D CA -0.816 53.281 54.000 0.161 0.000 0.834 234 D CB -0.903 39.973 40.800 0.126 0.000 0.953 234 D HN 0.253 nan 8.370 nan 0.000 0.505 235 F N 0.639 120.643 119.950 0.090 0.000 3.084 235 F HA -0.277 4.250 4.527 0.000 0.000 0.286 235 F C 1.570 177.448 175.800 0.129 0.000 0.855 235 F CA 0.813 58.889 58.000 0.126 0.000 1.091 235 F CB -2.633 36.350 39.000 -0.028 0.000 1.177 235 F HN 0.181 nan 8.300 nan 0.000 0.542 236 S N -1.462 114.352 115.700 0.190 0.000 2.528 236 S HA 0.284 4.754 4.470 -0.000 0.000 0.219 236 S C 0.666 175.319 174.600 0.088 0.000 0.985 236 S CA -0.017 58.259 58.200 0.127 0.000 0.914 236 S CB 0.451 63.702 63.200 0.085 0.000 0.776 236 S HN 0.479 nan 8.310 nan 0.000 0.526 237 R N 0.005 120.562 120.500 0.095 0.000 2.740 237 R HA 0.819 5.159 4.340 -0.000 0.000 0.273 237 R C -1.433 174.886 176.300 0.033 0.000 0.998 237 R CA -0.433 55.687 56.100 0.033 0.000 0.900 237 R CB 2.216 32.516 30.300 -0.000 0.000 1.223 237 R HN 0.227 nan 8.270 nan 0.000 0.466 238 A N 1.196 123.972 122.820 -0.072 0.000 2.606 238 A HA 0.693 5.013 4.320 -0.000 0.000 0.293 238 A C -1.516 175.975 177.584 -0.155 0.000 1.082 238 A CA -0.634 51.283 52.037 -0.201 0.000 0.685 238 A CB 2.096 20.912 19.000 -0.307 0.000 1.284 238 A HN 0.312 nan 8.150 nan 0.000 0.408 239 V N 1.623 121.427 119.914 -0.183 0.000 2.444 239 V HA 0.468 4.588 4.120 -0.000 0.000 0.294 239 V C -0.483 175.552 176.094 -0.098 0.000 1.022 239 V CA -0.361 61.875 62.300 -0.106 0.000 0.850 239 V CB 1.397 33.162 31.823 -0.096 0.000 0.992 239 V HN 0.814 nan 8.190 nan 0.000 0.426 240 L N 4.557 125.761 121.223 -0.031 0.000 2.275 240 L HA 0.631 4.971 4.340 -0.000 0.000 0.288 240 L C -0.035 176.801 176.870 -0.056 0.000 1.046 240 L CA 0.002 54.807 54.840 -0.058 0.000 0.805 240 L CB 1.216 43.274 42.059 -0.001 0.000 1.193 240 L HN 0.792 nan 8.230 nan 0.000 0.426 241 E N 4.339 124.501 120.200 -0.064 0.000 2.176 241 E HA 0.649 4.999 4.350 -0.000 0.000 0.267 241 E C -1.468 175.125 176.600 -0.011 0.000 0.893 241 E CA -0.786 55.592 56.400 -0.037 0.000 0.761 241 E CB 1.746 31.425 29.700 -0.035 0.000 1.133 241 E HN 0.714 nan 8.360 nan 0.000 0.409 242 A N 4.685 127.504 122.820 -0.003 0.000 2.311 242 A HA 0.297 4.617 4.320 -0.000 0.000 0.306 242 A C -0.662 176.929 177.584 0.011 0.000 1.189 242 A CA -0.654 51.401 52.037 0.030 0.000 0.791 242 A CB 1.037 20.051 19.000 0.024 0.000 1.172 242 A HN 0.730 nan 8.150 nan 0.000 0.481 243 E N 2.649 122.861 120.200 0.020 0.000 2.167 243 E HA 0.510 4.860 4.350 -0.000 0.000 0.284 243 E C -1.301 175.274 176.600 -0.041 0.000 1.016 243 E CA -0.305 56.069 56.400 -0.042 0.000 0.817 243 E CB 1.034 30.680 29.700 -0.090 0.000 1.080 243 E HN 0.382 nan 8.360 nan 0.000 0.397 244 V N 4.961 124.864 119.914 -0.018 0.000 2.495 244 V HA 0.276 4.396 4.120 -0.000 0.000 0.298 244 V C -0.374 175.795 176.094 0.125 0.000 1.031 244 V CA -0.772 61.562 62.300 0.057 0.000 0.871 244 V CB 1.653 33.485 31.823 0.015 0.000 0.988 244 V HN 0.743 nan 8.190 nan 0.000 0.432 245 Q N 4.480 124.357 119.800 0.129 0.000 2.306 245 Q HA 0.833 5.173 4.340 -0.000 0.000 0.265 245 Q C -0.563 175.517 176.000 0.133 0.000 1.022 245 Q CA -0.635 55.243 55.803 0.125 0.000 0.853 245 Q CB 2.689 31.433 28.738 0.010 0.000 1.327 245 Q HN 0.872 nan 8.270 nan 0.000 0.449 246 M N -1.005 118.597 119.600 0.003 0.000 2.727 246 M HA 0.830 5.310 4.480 -0.000 0.000 0.300 246 M C -1.431 174.772 176.300 -0.162 0.000 1.246 246 M CA -0.603 54.611 55.300 -0.142 0.000 0.835 246 M CB 2.052 34.352 32.600 -0.499 0.000 1.755 246 M HN 0.564 nan 8.290 nan 0.000 0.473 247 C N 0.600 119.813 119.300 -0.144 0.000 2.898 247 C HA 1.018 5.478 4.460 -0.000 0.000 0.304 247 C C 0.408 175.322 174.990 -0.128 0.000 1.237 247 C CA 0.507 59.459 59.018 -0.110 0.000 1.529 247 C CB 1.197 28.905 27.740 -0.054 0.000 2.021 247 C HN 1.351 nan 8.230 nan 0.000 0.474 248 G N 1.525 110.261 108.800 -0.107 0.000 2.422 248 G HA2 0.054 4.013 3.960 -0.000 0.000 0.607 248 G HA3 0.054 4.013 3.960 -0.000 0.000 0.607 248 G C -1.052 173.778 174.900 -0.115 0.000 1.270 248 G CA -0.501 44.541 45.100 -0.097 0.000 0.992 248 G HN 0.965 nan 8.290 nan 0.000 0.499 249 E N -0.351 119.790 120.200 -0.097 0.000 2.316 249 E HA 0.417 4.767 4.350 -0.000 0.000 0.275 249 E C 0.314 176.819 176.600 -0.158 0.000 1.029 249 E CA -0.457 55.881 56.400 -0.104 0.000 0.871 249 E CB 0.339 29.998 29.700 -0.067 0.000 1.022 249 E HN 0.451 nan 8.360 nan 0.000 0.418 250 L N 5.154 126.274 121.223 -0.171 0.000 2.331 250 L HA 0.341 4.681 4.340 -0.000 0.000 0.278 250 L C 0.214 176.949 176.870 -0.225 0.000 1.106 250 L CA -0.336 54.377 54.840 -0.212 0.000 0.824 250 L CB 0.560 42.515 42.059 -0.173 0.000 1.142 250 L HN 0.449 nan 8.230 nan 0.000 0.443 251 R N 1.814 122.123 120.500 -0.318 0.000 2.673 251 R HA 0.219 4.559 4.340 -0.000 0.000 0.281 251 R C -0.115 175.930 176.300 -0.425 0.000 0.991 251 R CA -0.804 54.987 56.100 -0.514 0.000 0.896 251 R CB 1.495 31.115 30.300 -1.132 0.000 1.201 251 R HN 0.517 nan 8.270 nan 0.000 0.457 252 D N 1.178 121.398 120.400 -0.300 0.000 2.263 252 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 252 D C 1.379 177.640 176.300 -0.065 0.000 0.971 252 D CA 1.520 55.446 54.000 -0.123 0.000 0.867 252 D CB 0.205 40.980 40.800 -0.042 0.000 0.929 252 D HN 0.572 nan 8.370 nan 0.000 0.492 253 Y N 0.006 120.318 120.300 0.020 0.000 2.529 253 Y HA 0.263 4.813 4.550 -0.000 0.000 0.290 253 Y C 0.842 176.746 175.900 0.007 0.000 1.177 253 Y CA -0.487 57.621 58.100 0.014 0.000 1.305 253 Y CB -0.880 37.590 38.460 0.015 0.000 1.047 253 Y HN -0.196 nan 8.280 nan 0.000 0.522 254 L N 2.832 124.058 121.223 0.005 0.000 2.439 254 L HA 0.325 4.665 4.340 -0.000 0.000 0.269 254 L C 0.204 177.083 176.870 0.016 0.000 1.179 254 L CA -0.057 54.834 54.840 0.086 0.000 0.828 254 L CB 0.550 42.669 42.059 0.100 0.000 1.106 254 L HN 0.182 nan 8.230 nan 0.000 0.467 255 R N 2.082 122.485 120.500 -0.162 0.000 2.740 255 R HA 0.646 4.986 4.340 -0.000 0.000 0.273 255 R C -1.568 174.411 176.300 -0.534 0.000 0.998 255 R CA -0.791 55.067 56.100 -0.404 0.000 0.900 255 R CB 2.291 32.253 30.300 -0.563 0.000 1.223 255 R HN 0.265 nan 8.270 nan 0.000 0.466 256 V N 1.269 120.910 119.914 -0.454 0.000 2.531 256 V HA 0.461 4.581 4.120 -0.000 0.000 0.301 256 V C -0.383 175.646 176.094 -0.107 0.000 1.034 256 V CA -0.514 61.605 62.300 -0.303 0.000 0.865 256 V CB 2.235 33.787 31.823 -0.452 0.000 0.995 256 V HN 0.728 nan 8.190 nan 0.000 0.424 257 T N 4.263 118.863 114.554 0.077 0.000 2.824 257 T HA 0.619 4.969 4.350 -0.000 0.000 0.282 257 T C -0.626 174.089 174.700 0.025 0.000 0.993 257 T CA -0.392 61.769 62.100 0.101 0.000 0.967 257 T CB 1.710 70.692 68.868 0.190 0.000 0.960 257 T HN 0.327 nan 8.240 nan 0.000 0.441 258 V N 3.123 123.032 119.914 -0.007 0.000 2.409 258 V HA 0.575 4.695 4.120 -0.000 0.000 0.291 258 V C -0.150 175.947 176.094 0.004 0.000 1.020 258 V CA -0.595 61.697 62.300 -0.013 0.000 0.848 258 V CB 1.875 33.678 31.823 -0.035 0.000 0.990 258 V HN 0.936 nan 8.190 nan 0.000 0.430 259 S N 4.664 120.394 115.700 0.050 0.000 2.503 259 S HA 0.758 5.228 4.470 -0.000 0.000 0.301 259 S C -0.891 173.771 174.600 0.103 0.000 1.087 259 S CA -0.462 57.757 58.200 0.030 0.000 1.042 259 S CB 1.786 65.052 63.200 0.110 0.000 1.043 259 S HN 0.559 nan 8.310 nan 0.000 0.489 260 L N 3.079 124.289 121.223 -0.022 0.000 2.322 260 L HA 0.731 5.071 4.340 -0.000 0.000 0.281 260 L C -2.003 174.896 176.870 0.047 0.000 1.014 260 L CA -0.191 54.728 54.840 0.131 0.000 0.815 260 L CB 0.693 42.821 42.059 0.115 0.000 1.247 260 L HN 0.709 nan 8.230 nan 0.000 0.421 261 W N 3.498 124.904 121.300 0.176 0.000 2.736 261 W HA 0.600 5.260 4.660 0.000 0.000 0.335 261 W C -0.626 175.983 176.519 0.151 0.000 1.059 261 W CA -0.532 56.892 57.345 0.132 0.000 1.226 261 W CB 1.489 30.975 29.460 0.043 0.000 1.416 261 W HN 0.391 nan 8.180 nan 0.000 0.505 262 Q N 2.430 122.384 119.800 0.256 0.000 2.508 262 Q HA 0.533 4.873 4.340 -0.000 0.000 0.247 262 Q C 0.502 176.518 176.000 0.026 0.000 1.047 262 Q CA 0.354 56.119 55.803 -0.064 0.000 0.783 262 Q CB 0.598 29.256 28.738 -0.132 0.000 1.172 262 Q HN 0.765 nan 8.270 nan 0.000 0.515 263 G N 3.284 112.103 108.800 0.031 0.000 2.536 263 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 263 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 263 G C 0.209 175.183 174.900 0.123 0.000 1.152 263 G CA 0.217 45.340 45.100 0.039 0.000 0.970 263 G HN 0.536 nan 8.290 nan 0.000 0.549 264 E N 1.395 121.670 120.200 0.126 0.000 2.463 264 E HA 0.221 4.571 4.350 -0.000 0.000 0.193 264 E C 0.512 177.329 176.600 0.361 0.000 1.041 264 E CA 0.636 57.150 56.400 0.189 0.000 0.879 264 E CB 0.430 30.183 29.700 0.088 0.000 0.997 264 E HN 0.394 nan 8.360 nan 0.000 0.478 265 T N 1.639 116.369 114.554 0.292 0.000 2.758 265 T HA 0.188 4.538 4.350 -0.000 0.000 0.285 265 T C 0.000 174.698 174.700 -0.004 0.000 0.981 265 T CA -0.434 61.752 62.100 0.144 0.000 0.965 265 T CB 1.711 70.608 68.868 0.049 0.000 0.927 265 T HN -0.000 nan 8.240 nan 0.000 0.448 266 Q N 2.822 122.351 119.800 -0.453 0.000 2.293 266 Q HA 0.298 4.638 4.340 -0.000 0.000 0.263 266 Q C 0.911 176.660 176.000 -0.419 0.000 1.002 266 Q CA -0.415 54.803 55.803 -0.974 0.000 0.910 266 Q CB 0.661 28.566 28.738 -1.388 0.000 1.185 266 Q HN 0.680 nan 8.270 nan 0.000 0.401 267 V N 0.825 120.577 119.914 -0.269 0.000 3.565 267 V HA 0.635 4.755 4.120 -0.000 0.000 0.260 267 V C 0.218 176.232 176.094 -0.132 0.000 1.231 267 V CA 0.576 62.804 62.300 -0.120 0.000 1.100 267 V CB 0.152 31.990 31.823 0.024 0.000 0.807 267 V HN 0.644 nan 8.190 nan 0.000 0.454 268 A N -0.622 122.092 122.820 -0.177 0.000 2.605 268 A HA 0.824 5.144 4.320 -0.000 0.000 0.294 268 A C -0.709 176.783 177.584 -0.155 0.000 1.062 268 A CA 0.234 52.190 52.037 -0.135 0.000 0.682 268 A CB 1.689 20.640 19.000 -0.082 0.000 1.278 268 A HN 0.649 nan 8.150 nan 0.000 0.410 269 S N -0.540 115.090 115.700 -0.116 0.000 2.537 269 S HA 0.818 5.288 4.470 -0.000 0.000 0.271 269 S C -0.593 173.970 174.600 -0.062 0.000 1.148 269 S CA 0.215 58.358 58.200 -0.095 0.000 0.868 269 S CB 1.706 64.835 63.200 -0.118 0.000 1.115 269 S HN 2.319 nan 8.310 nan 0.000 0.461 270 G N 1.788 110.562 108.800 -0.044 0.000 2.746 270 G HA2 0.628 4.588 3.960 -0.000 0.000 0.297 270 G HA3 0.628 4.588 3.960 -0.000 0.000 0.297 270 G C -1.323 173.562 174.900 -0.025 0.000 1.426 270 G CA -0.387 44.691 45.100 -0.037 0.000 0.989 270 G HN 0.710 nan 8.290 nan 0.000 0.520 271 T N -0.189 114.353 114.554 -0.021 0.000 2.906 271 T HA 0.909 5.259 4.350 -0.000 0.000 0.295 271 T C -0.326 174.342 174.700 -0.052 0.000 1.061 271 T CA 0.034 62.128 62.100 -0.010 0.000 1.000 271 T CB 1.916 70.815 68.868 0.052 0.000 1.103 271 T HN 1.769 nan 8.240 nan 0.000 0.486 272 A N 2.806 125.564 122.820 -0.103 0.000 2.590 272 A HA 0.803 5.123 4.320 -0.000 0.000 0.294 272 A C -3.165 174.299 177.584 -0.198 0.000 1.046 272 A CA -1.331 50.632 52.037 -0.124 0.000 0.684 272 A CB 0.993 19.921 19.000 -0.121 0.000 1.279 272 A HN 0.539 nan 8.150 nan 0.000 0.415 273 P HA 0.547 nan 4.420 nan 0.000 0.278 273 P C -0.527 176.672 177.300 -0.167 0.000 1.266 273 P CA -0.245 62.778 63.100 -0.129 0.000 0.807 273 P CB 0.425 32.104 31.700 -0.035 0.000 1.094 274 F N -0.093 119.821 119.950 -0.061 0.000 2.496 274 F HA 0.443 4.970 4.527 -0.000 0.000 0.344 274 F C 1.515 177.299 175.800 -0.027 0.000 1.155 274 F CA 1.624 59.597 58.000 -0.044 0.000 1.302 274 F CB 0.169 39.139 39.000 -0.050 0.000 1.159 274 F HN 0.596 nan 8.300 nan 0.000 0.595 275 G N 1.588 110.505 108.800 0.195 0.000 2.781 275 G HA2 0.348 4.308 3.960 -0.000 0.000 0.468 275 G HA3 0.348 4.308 3.960 -0.000 0.000 0.468 275 G C -0.434 174.515 174.900 0.081 0.000 1.186 275 G CA -0.737 44.433 45.100 0.117 0.000 1.220 275 G HN 1.045 nan 8.290 nan 0.000 0.564 276 G N 0.647 109.514 108.800 0.112 0.000 2.588 276 G HA2 0.696 4.656 3.960 -0.000 0.000 0.281 276 G HA3 0.696 4.656 3.960 -0.000 0.000 0.281 276 G C 0.453 175.396 174.900 0.070 0.000 1.236 276 G CA -0.015 45.140 45.100 0.092 0.000 0.969 276 G HN 1.075 nan 8.290 nan 0.000 0.504 277 E N -0.942 119.294 120.200 0.059 0.000 2.392 277 E HA 0.191 4.541 4.350 -0.000 0.000 0.259 277 E C -0.219 176.409 176.600 0.047 0.000 1.108 277 E CA -0.535 55.890 56.400 0.041 0.000 0.916 277 E CB 0.977 30.695 29.700 0.031 0.000 0.989 277 E HN 0.286 nan 8.360 nan 0.000 0.432 278 I N 2.154 122.739 120.570 0.025 0.000 2.710 278 I HA -0.075 4.095 4.170 -0.000 0.000 0.286 278 I C 1.204 177.335 176.117 0.023 0.000 1.181 278 I CA 0.411 61.719 61.300 0.013 0.000 1.430 278 I CB 0.277 38.279 38.000 0.002 0.000 1.367 278 I HN 0.645 nan 8.210 nan 0.000 0.577 279 I N 1.404 121.985 120.570 0.017 0.000 4.244 279 I HA 0.298 4.468 4.170 -0.000 0.000 0.318 279 I C -0.127 175.997 176.117 0.012 0.000 1.282 279 I CA 0.001 61.321 61.300 0.033 0.000 1.276 279 I CB 0.553 38.603 38.000 0.083 0.000 1.183 279 I HN 0.616 nan 8.210 nan 0.000 0.431 280 D N -0.230 120.162 120.400 -0.013 0.000 2.825 280 D HA 0.201 4.841 4.640 -0.000 0.000 0.327 280 D C 0.258 176.544 176.300 -0.024 0.000 1.277 280 D CA -0.507 53.484 54.000 -0.015 0.000 0.950 280 D CB 0.590 41.380 40.800 -0.016 0.000 1.438 280 D HN -0.121 nan 8.370 nan 0.000 0.526 281 E N -1.073 119.115 120.200 -0.021 0.000 2.331 281 E HA -0.052 4.298 4.350 -0.000 0.000 0.199 281 E C 1.236 177.818 176.600 -0.030 0.000 1.008 281 E CA 0.921 57.308 56.400 -0.021 0.000 0.843 281 E CB -0.020 29.671 29.700 -0.016 0.000 0.761 281 E HN 0.203 nan 8.360 nan 0.000 0.507 282 R N -0.374 120.100 120.500 -0.044 0.000 2.334 282 R HA 0.288 4.628 4.340 -0.000 0.000 0.216 282 R C 0.813 177.071 176.300 -0.070 0.000 0.905 282 R CA 0.678 56.744 56.100 -0.056 0.000 1.064 282 R CB 0.552 30.813 30.300 -0.066 0.000 1.046 282 R HN 0.216 nan 8.270 nan 0.000 0.508 283 G N -0.596 108.166 108.800 -0.064 0.000 2.443 283 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.209 283 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.209 283 G C -0.156 174.693 174.900 -0.084 0.000 1.176 283 G CA -0.593 44.470 45.100 -0.063 0.000 1.074 283 G HN 0.496 nan 8.290 nan 0.000 0.577 284 G N -2.078 106.667 108.800 -0.093 0.000 3.086 284 G HA2 0.642 4.602 3.960 -0.000 0.000 0.282 284 G HA3 0.642 4.602 3.960 -0.000 0.000 0.282 284 G C -1.590 173.206 174.900 -0.172 0.000 1.343 284 G CA -0.644 44.400 45.100 -0.094 0.000 0.895 284 G HN 0.811 nan 8.290 nan 0.000 0.557 285 Y N 1.191 121.502 120.300 0.018 0.000 2.504 285 Y HA 0.430 4.980 4.550 -0.000 0.000 0.351 285 Y C 1.473 177.395 175.900 0.036 0.000 0.988 285 Y CA 0.180 58.294 58.100 0.023 0.000 1.239 285 Y CB 1.584 40.062 38.460 0.031 0.000 1.128 285 Y HN 0.545 nan 8.280 nan 0.000 0.525 286 A N 1.857 124.741 122.820 0.106 0.000 2.066 286 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 286 A C 1.455 179.101 177.584 0.103 0.000 1.157 286 A CA 1.422 53.509 52.037 0.083 0.000 0.670 286 A CB -0.259 18.751 19.000 0.016 0.000 0.804 286 A HN 0.784 nan 8.150 nan 0.000 0.453 287 D N -0.833 119.630 120.400 0.104 0.000 2.395 287 D HA 0.134 4.774 4.640 -0.000 0.000 0.226 287 D C 0.440 176.827 176.300 0.145 0.000 1.146 287 D CA -0.056 53.938 54.000 -0.010 0.000 0.830 287 D CB -0.049 40.723 40.800 -0.046 0.000 0.958 287 D HN 0.390 nan 8.370 nan 0.000 0.501 288 R N -0.931 119.767 120.500 0.331 0.000 2.799 288 R HA 0.746 5.086 4.340 -0.000 0.000 0.270 288 R C -1.649 174.808 176.300 0.261 0.000 1.010 288 R CA -1.133 55.156 56.100 0.315 0.000 0.916 288 R CB 2.980 33.341 30.300 0.101 0.000 1.228 288 R HN -0.022 nan 8.270 nan 0.000 0.469 289 V N 0.263 120.220 119.914 0.072 0.000 3.077 289 V HA 0.487 4.607 4.120 -0.000 0.000 0.299 289 V C -1.630 174.414 176.094 -0.083 0.000 1.276 289 V CA -0.284 61.972 62.300 -0.073 0.000 0.993 289 V CB 2.781 34.418 31.823 -0.310 0.000 1.076 289 V HN 0.817 nan 8.190 nan 0.000 0.434 290 T N 7.181 121.695 114.554 -0.066 0.000 2.809 290 T HA 0.610 4.960 4.350 -0.000 0.000 0.284 290 T C -1.019 173.645 174.700 -0.060 0.000 0.992 290 T CA -0.417 61.651 62.100 -0.053 0.000 0.957 290 T CB 1.098 69.949 68.868 -0.028 0.000 0.942 290 T HN 0.451 nan 8.240 nan 0.000 0.439 291 L N 3.523 124.710 121.223 -0.060 0.000 2.322 291 L HA 0.602 4.942 4.340 -0.000 0.000 0.279 291 L C 0.431 177.276 176.870 -0.042 0.000 1.036 291 L CA -0.490 54.316 54.840 -0.057 0.000 0.807 291 L CB 1.374 43.396 42.059 -0.062 0.000 1.226 291 L HN 0.546 nan 8.230 nan 0.000 0.433 292 R N 3.862 124.337 120.500 -0.041 0.000 2.476 292 R HA 0.712 5.052 4.340 -0.000 0.000 0.305 292 R C -1.169 175.107 176.300 -0.039 0.000 0.965 292 R CA -0.691 55.386 56.100 -0.039 0.000 0.867 292 R CB 2.217 32.494 30.300 -0.038 0.000 1.176 292 R HN 0.473 nan 8.270 nan 0.000 0.447 293 L N 2.634 123.835 121.223 -0.036 0.000 2.346 293 L HA 0.471 4.811 4.340 -0.000 0.000 0.276 293 L C -0.239 176.606 176.870 -0.041 0.000 1.006 293 L CA -1.153 53.664 54.840 -0.037 0.000 0.817 293 L CB 1.829 43.872 42.059 -0.027 0.000 1.272 293 L HN 0.478 nan 8.230 nan 0.000 0.421 294 N N 1.919 120.587 118.700 -0.052 0.000 2.498 294 N HA 0.459 5.199 4.740 -0.000 0.000 0.287 294 N C -0.921 174.538 175.510 -0.084 0.000 1.097 294 N CA -0.288 52.724 53.050 -0.063 0.000 0.973 294 N CB 2.693 41.146 38.487 -0.056 0.000 1.153 294 N HN 0.190 nan 8.380 nan 0.000 0.472 295 V N 2.055 121.899 119.914 -0.117 0.000 2.488 295 V HA 0.155 4.275 4.120 -0.000 0.000 0.293 295 V C -0.447 175.555 176.094 -0.153 0.000 1.027 295 V CA -0.849 61.340 62.300 -0.185 0.000 0.862 295 V CB 1.763 33.348 31.823 -0.396 0.000 1.008 295 V HN 0.471 nan 8.190 nan 0.000 0.428 296 E N 2.951 123.091 120.200 -0.101 0.000 2.283 296 E HA 0.314 4.664 4.350 -0.000 0.000 0.278 296 E C 0.223 176.795 176.600 -0.048 0.000 1.027 296 E CA -0.476 55.890 56.400 -0.057 0.000 0.843 296 E CB 0.530 30.209 29.700 -0.035 0.000 1.062 296 E HN 0.728 nan 8.360 nan 0.000 0.401 297 N N 1.194 119.887 118.700 -0.013 0.000 2.688 297 N HA -0.147 4.593 4.740 -0.000 0.000 0.258 297 N C -2.465 173.045 175.510 -0.001 0.000 1.016 297 N CA 0.263 53.323 53.050 0.016 0.000 0.747 297 N CB -1.028 37.473 38.487 0.023 0.000 0.895 297 N HN 0.357 nan 8.380 nan 0.000 0.543 298 P HA 0.020 nan 4.420 nan 0.000 0.271 298 P C -0.549 176.786 177.300 0.059 0.000 1.218 298 P CA 0.188 63.189 63.100 -0.165 0.000 0.780 298 P CB 0.791 32.158 31.700 -0.555 0.000 0.901 299 K N 2.722 123.254 120.400 0.220 0.000 2.316 299 K HA 0.292 4.612 4.320 -0.000 0.000 0.289 299 K C 0.240 177.015 176.600 0.291 0.000 1.070 299 K CA -0.433 55.981 56.287 0.212 0.000 0.928 299 K CB 0.218 32.818 32.500 0.166 0.000 1.039 299 K HN 0.428 nan 8.250 nan 0.000 0.480 300 L N 2.595 123.913 121.223 0.158 0.000 2.417 300 L HA 0.233 4.573 4.340 -0.000 0.000 0.268 300 L C 0.075 177.022 176.870 0.128 0.000 1.158 300 L CA -0.657 54.267 54.840 0.141 0.000 0.819 300 L CB 0.291 42.273 42.059 -0.128 0.000 1.112 300 L HN 0.607 nan 8.230 nan 0.000 0.458 301 W N 3.521 124.850 121.300 0.049 0.000 2.376 301 W HA 0.499 5.159 4.660 -0.000 0.000 0.322 301 W C -0.015 176.465 176.519 -0.065 0.000 1.160 301 W CA 0.130 57.496 57.345 0.035 0.000 1.218 301 W CB 1.322 30.853 29.460 0.118 0.000 1.205 301 W HN 0.633 nan 8.180 nan 0.000 0.559 302 S N 2.802 117.920 115.700 -0.970 0.000 2.615 302 S HA 0.573 5.043 4.470 -0.000 0.000 0.268 302 S C -0.059 173.801 174.600 -1.233 0.000 1.146 302 S CA -0.365 57.353 58.200 -0.804 0.000 0.818 302 S CB 0.929 63.951 63.200 -0.297 0.000 1.111 302 S HN 1.088 nan 8.310 nan 0.000 0.465 303 A N 0.341 122.617 122.820 -0.907 0.000 2.119 303 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 303 A C 1.700 178.985 177.584 -0.499 0.000 1.153 303 A CA 1.358 52.854 52.037 -0.902 0.000 0.692 303 A CB -0.852 17.445 19.000 -1.171 0.000 0.799 303 A HN 0.851 nan 8.150 nan 0.000 0.458 304 E N -0.744 119.291 120.200 -0.276 0.000 2.076 304 E HA 0.102 4.452 4.350 -0.000 0.000 0.190 304 E C -0.194 176.280 176.600 -0.211 0.000 0.979 304 E CA 0.667 56.960 56.400 -0.178 0.000 0.807 304 E CB 0.080 29.797 29.700 0.027 0.000 0.761 304 E HN 0.564 nan 8.360 nan 0.000 0.454 305 I N 2.085 122.511 120.570 -0.241 0.000 2.583 305 I HA 0.149 4.319 4.170 -0.000 0.000 0.276 305 I C -2.392 173.517 176.117 -0.348 0.000 1.089 305 I CA -1.784 59.389 61.300 -0.211 0.000 1.103 305 I CB 2.085 40.014 38.000 -0.118 0.000 1.209 305 I HN -0.180 nan 8.210 nan 0.000 0.484 306 P HA 0.008 nan 4.420 nan 0.000 0.246 306 P C -0.465 176.834 177.300 -0.002 0.000 1.675 306 P CA -0.116 62.720 63.100 -0.440 0.000 0.908 306 P CB -0.333 31.251 31.700 -0.194 0.000 1.890 307 N N 1.370 120.090 118.700 0.033 0.000 2.412 307 N HA 0.104 4.844 4.740 -0.000 0.000 0.258 307 N C 0.148 175.888 175.510 0.383 0.000 1.236 307 N CA 0.550 53.699 53.050 0.165 0.000 0.882 307 N CB 0.658 39.239 38.487 0.157 0.000 1.066 307 N HN 0.318 nan 8.380 nan 0.000 0.465 308 L N 2.317 123.692 121.223 0.254 0.000 2.409 308 L HA 0.452 4.792 4.340 -0.000 0.000 0.262 308 L C -0.918 176.065 176.870 0.188 0.000 0.992 308 L CA -0.846 54.184 54.840 0.317 0.000 0.817 308 L CB 1.366 43.572 42.059 0.245 0.000 1.350 308 L HN 0.380 nan 8.230 nan 0.000 0.411 309 Y N 0.472 120.920 120.300 0.248 0.000 2.602 309 Y HA 0.666 5.216 4.550 -0.000 0.000 0.330 309 Y C -0.131 175.885 175.900 0.193 0.000 1.114 309 Y CA -0.846 57.404 58.100 0.249 0.000 1.182 309 Y CB 1.618 40.297 38.460 0.364 0.000 1.305 309 Y HN 0.376 nan 8.280 nan 0.000 0.502 310 R N 1.118 121.841 120.500 0.371 0.000 2.437 310 R HA 0.790 5.130 4.340 -0.000 0.000 0.310 310 R C -1.624 174.852 176.300 0.294 0.000 0.955 310 R CA -0.592 55.651 56.100 0.239 0.000 0.851 310 R CB 0.971 31.334 30.300 0.104 0.000 1.161 310 R HN 0.731 nan 8.270 nan 0.000 0.446 311 A N 4.008 126.943 122.820 0.192 0.000 2.271 311 A HA 0.605 4.925 4.320 -0.000 0.000 0.317 311 A C -1.043 176.586 177.584 0.075 0.000 1.245 311 A CA -0.644 51.488 52.037 0.158 0.000 0.857 311 A CB 1.203 20.264 19.000 0.102 0.000 1.175 311 A HN 0.486 nan 8.150 nan 0.000 0.512 312 V N 3.693 123.664 119.914 0.095 0.000 2.384 312 V HA 0.348 4.468 4.120 -0.000 0.000 0.287 312 V C -0.317 175.752 176.094 -0.042 0.000 1.020 312 V CA -0.480 61.820 62.300 -0.001 0.000 0.850 312 V CB 1.593 33.435 31.823 0.030 0.000 0.987 312 V HN 0.616 nan 8.190 nan 0.000 0.436 313 V N 5.013 124.836 119.914 -0.152 0.000 2.328 313 V HA 0.397 4.517 4.120 -0.000 0.000 0.278 313 V C 0.054 176.094 176.094 -0.090 0.000 1.021 313 V CA -0.551 61.641 62.300 -0.179 0.000 0.838 313 V CB 1.153 32.727 31.823 -0.414 0.000 0.999 313 V HN 0.897 nan 8.190 nan 0.000 0.447 314 E N 3.849 124.047 120.200 -0.003 0.000 2.151 314 E HA 0.480 4.830 4.350 -0.000 0.000 0.275 314 E C -1.010 175.681 176.600 0.151 0.000 0.936 314 E CA -0.845 55.603 56.400 0.081 0.000 0.777 314 E CB 2.397 32.162 29.700 0.108 0.000 1.108 314 E HN 0.469 nan 8.360 nan 0.000 0.401 315 L N 4.871 126.166 121.223 0.120 0.000 2.265 315 L HA 0.371 4.711 4.340 -0.000 0.000 0.289 315 L C -0.932 176.041 176.870 0.173 0.000 1.033 315 L CA 0.090 54.993 54.840 0.105 0.000 0.814 315 L CB 0.051 42.162 42.059 0.086 0.000 1.203 315 L HN 0.658 nan 8.230 nan 0.000 0.423 316 H N 0.336 119.449 119.070 0.071 0.000 2.947 316 H HA 0.830 5.386 4.556 -0.000 0.000 0.290 316 H C -0.705 174.691 175.328 0.114 0.000 1.430 316 H CA -0.505 55.586 56.048 0.072 0.000 1.189 316 H CB 0.801 30.587 29.762 0.040 0.000 1.875 316 H HN 0.477 nan 8.280 nan 0.000 0.568 317 T N -2.332 112.356 114.554 0.224 0.000 2.927 317 T HA 0.559 4.909 4.350 -0.000 0.000 0.281 317 T C 1.386 176.214 174.700 0.214 0.000 0.998 317 T CA -0.408 61.807 62.100 0.191 0.000 1.019 317 T CB 1.566 70.488 68.868 0.089 0.000 1.061 317 T HN 0.915 nan 8.240 nan 0.000 0.518 318 A N 1.190 124.108 122.820 0.163 0.000 1.940 318 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 318 A C 1.783 179.438 177.584 0.119 0.000 1.176 318 A CA 2.020 54.140 52.037 0.139 0.000 0.631 318 A CB -1.326 17.743 19.000 0.114 0.000 0.814 318 A HN 1.026 nan 8.150 nan 0.000 0.446 319 D N -2.441 118.003 120.400 0.074 0.000 2.378 319 D HA 0.284 4.924 4.640 -0.000 0.000 0.227 319 D C 1.105 177.432 176.300 0.045 0.000 1.012 319 D CA 1.028 55.050 54.000 0.038 0.000 0.905 319 D CB -0.418 40.379 40.800 -0.006 0.000 0.895 319 D HN 0.812 nan 8.370 nan 0.000 0.532 320 G N -1.098 107.759 108.800 0.096 0.000 2.144 320 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 320 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 320 G C 0.179 175.095 174.900 0.027 0.000 0.988 320 G CA 0.096 45.220 45.100 0.040 0.000 0.659 320 G HN 0.397 nan 8.290 nan 0.000 0.522 321 T N 1.558 116.152 114.554 0.068 0.000 2.729 321 T HA 0.494 4.844 4.350 -0.000 0.000 0.296 321 T C 0.371 175.130 174.700 0.097 0.000 0.928 321 T CA -0.236 61.895 62.100 0.051 0.000 1.045 321 T CB 1.700 70.584 68.868 0.026 0.000 0.902 321 T HN 0.585 nan 8.240 nan 0.000 0.500 322 L N 5.113 126.375 121.223 0.065 0.000 2.410 322 L HA 0.325 4.665 4.340 -0.000 0.000 0.273 322 L C 0.744 177.665 176.870 0.084 0.000 1.152 322 L CA 0.432 55.324 54.840 0.088 0.000 0.855 322 L CB 0.054 42.138 42.059 0.041 0.000 1.129 322 L HN 0.694 nan 8.230 nan 0.000 0.463 323 I N 2.605 123.236 120.570 0.102 0.000 2.685 323 I HA 0.158 4.328 4.170 -0.000 0.000 0.251 323 I C 0.334 176.479 176.117 0.046 0.000 1.102 323 I CA 0.429 61.771 61.300 0.070 0.000 1.442 323 I CB 0.162 38.208 38.000 0.076 0.000 1.194 323 I HN 0.817 nan 8.210 nan 0.000 0.448 324 E N 0.408 120.637 120.200 0.048 0.000 2.409 324 E HA 0.694 5.044 4.350 -0.000 0.000 0.280 324 E C -1.654 174.971 176.600 0.041 0.000 1.079 324 E CA -1.024 55.394 56.400 0.031 0.000 0.840 324 E CB 1.880 31.564 29.700 -0.026 0.000 1.309 324 E HN -0.002 nan 8.360 nan 0.000 0.447 325 A N 1.478 124.344 122.820 0.077 0.000 2.449 325 A HA 0.722 5.042 4.320 -0.000 0.000 0.302 325 A C -1.105 176.590 177.584 0.184 0.000 1.048 325 A CA -0.715 51.376 52.037 0.090 0.000 0.708 325 A CB 1.797 20.851 19.000 0.090 0.000 1.274 325 A HN 0.522 nan 8.150 nan 0.000 0.410 326 E N -0.372 119.868 120.200 0.067 0.000 2.410 326 E HA 0.848 5.198 4.350 -0.000 0.000 0.269 326 E C -0.494 176.136 176.600 0.049 0.000 0.937 326 E CA -0.456 56.031 56.400 0.145 0.000 0.793 326 E CB 2.441 32.079 29.700 -0.104 0.000 1.314 326 E HN 1.258 nan 8.360 nan 0.000 0.447 327 A N -0.145 122.816 122.820 0.235 0.000 2.564 327 A HA 0.773 5.093 4.320 -0.000 0.000 0.291 327 A C -1.284 176.482 177.584 0.304 0.000 1.102 327 A CA -0.260 51.843 52.037 0.110 0.000 0.660 327 A CB 0.807 19.793 19.000 -0.024 0.000 1.283 327 A HN 0.952 nan 8.150 nan 0.000 0.430 328 C N -0.797 118.632 119.300 0.215 0.000 3.292 328 C HA 0.749 5.209 4.460 -0.000 0.000 0.338 328 C C -1.569 173.507 174.990 0.143 0.000 1.323 328 C CA -0.961 58.191 59.018 0.222 0.000 1.232 328 C CB 0.879 28.783 27.740 0.273 0.000 1.517 328 C HN 0.835 nan 8.230 nan 0.000 0.470 329 D N 1.046 121.516 120.400 0.117 0.000 2.302 329 D HA 0.553 5.193 4.640 -0.000 0.000 0.248 329 D C -0.320 176.025 176.300 0.075 0.000 1.094 329 D CA 0.162 54.230 54.000 0.114 0.000 0.897 329 D CB 1.845 42.717 40.800 0.120 0.000 1.200 329 D HN 0.577 nan 8.370 nan 0.000 0.429 330 V N 0.914 120.896 119.914 0.114 0.000 2.540 330 V HA 0.647 4.767 4.120 -0.000 0.000 0.302 330 V C 0.551 176.695 176.094 0.084 0.000 1.035 330 V CA -0.897 61.415 62.300 0.021 0.000 0.873 330 V CB 2.016 33.822 31.823 -0.028 0.000 0.992 330 V HN 0.611 nan 8.190 nan 0.000 0.428 331 G N 3.071 111.821 108.800 -0.083 0.000 2.533 331 G HA2 0.597 4.557 3.960 -0.000 0.000 0.310 331 G HA3 0.597 4.557 3.960 -0.000 0.000 0.310 331 G C -0.906 174.052 174.900 0.097 0.000 1.266 331 G CA -0.393 44.738 45.100 0.051 0.000 0.967 331 G HN 0.450 nan 8.290 nan 0.000 0.493 332 F N 4.266 124.404 119.950 0.313 0.000 2.468 332 F HA 0.370 4.897 4.527 -0.000 0.000 0.356 332 F C 1.215 177.272 175.800 0.428 0.000 1.167 332 F CA -0.075 58.180 58.000 0.424 0.000 1.135 332 F CB 0.464 39.708 39.000 0.408 0.000 1.197 332 F HN 0.434 nan 8.300 nan 0.000 0.569 333 R N 2.773 123.564 120.500 0.485 0.000 2.680 333 R HA 0.449 4.789 4.340 -0.000 0.000 0.269 333 R C -1.772 174.622 176.300 0.157 0.000 1.026 333 R CA -0.806 55.381 56.100 0.146 0.000 0.889 333 R CB 1.656 32.108 30.300 0.253 0.000 1.241 333 R HN 0.547 nan 8.270 nan 0.000 0.463 334 E N 2.148 122.331 120.200 -0.027 0.000 2.176 334 E HA 0.442 4.792 4.350 -0.000 0.000 0.267 334 E C -1.242 175.411 176.600 0.088 0.000 0.893 334 E CA -0.900 55.587 56.400 0.146 0.000 0.761 334 E CB 2.110 31.968 29.700 0.262 0.000 1.133 334 E HN 0.404 nan 8.360 nan 0.000 0.409 335 V N 5.628 125.599 119.914 0.094 0.000 2.384 335 V HA 0.587 4.707 4.120 -0.000 0.000 0.287 335 V C -0.213 175.919 176.094 0.064 0.000 1.020 335 V CA -0.584 61.746 62.300 0.051 0.000 0.850 335 V CB 1.115 32.949 31.823 0.019 0.000 0.987 335 V HN 0.746 nan 8.190 nan 0.000 0.436 336 R N 4.209 124.743 120.500 0.057 0.000 2.664 336 R HA 0.689 5.029 4.340 -0.000 0.000 0.266 336 R C -2.104 174.224 176.300 0.047 0.000 1.046 336 R CA -0.920 55.217 56.100 0.062 0.000 0.885 336 R CB 1.713 32.064 30.300 0.085 0.000 1.254 336 R HN 0.501 nan 8.270 nan 0.000 0.465 337 I N 1.499 122.097 120.570 0.047 0.000 2.339 337 I HA 0.358 4.528 4.170 -0.000 0.000 0.290 337 I C -0.468 175.673 176.117 0.040 0.000 0.994 337 I CA -0.427 60.895 61.300 0.037 0.000 1.191 337 I CB 1.757 39.781 38.000 0.040 0.000 1.343 337 I HN 0.664 nan 8.210 nan 0.000 0.458 338 E N 5.976 126.196 120.200 0.034 0.000 2.275 338 E HA 0.217 4.567 4.350 -0.000 0.000 0.270 338 E C -0.312 176.304 176.600 0.026 0.000 0.882 338 E CA -0.594 55.827 56.400 0.035 0.000 0.758 338 E CB 1.190 30.916 29.700 0.043 0.000 1.195 338 E HN 0.577 nan 8.360 nan 0.000 0.419 339 N N 3.040 121.755 118.700 0.025 0.000 2.708 339 N HA -0.240 4.500 4.740 -0.000 0.000 0.249 339 N C 0.419 175.937 175.510 0.014 0.000 1.097 339 N CA 2.050 55.111 53.050 0.019 0.000 0.710 339 N CB -1.193 37.304 38.487 0.016 0.000 1.032 339 N HN 0.950 nan 8.380 nan 0.000 0.551 340 G N -2.253 106.556 108.800 0.015 0.000 2.159 340 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.256 340 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.256 340 G C -0.117 174.783 174.900 -0.001 0.000 0.977 340 G CA 0.482 45.588 45.100 0.009 0.000 0.652 340 G HN 0.469 nan 8.290 nan 0.000 0.531 341 L N 0.002 121.225 121.223 -0.001 0.000 2.365 341 L HA 0.692 5.032 4.340 -0.000 0.000 0.273 341 L C 0.098 176.961 176.870 -0.011 0.000 1.000 341 L CA -1.338 53.494 54.840 -0.014 0.000 0.819 341 L CB 1.883 43.934 42.059 -0.014 0.000 1.284 341 L HN 0.095 nan 8.230 nan 0.000 0.418 342 L N 4.538 125.743 121.223 -0.030 0.000 2.315 342 L HA 0.431 4.771 4.340 -0.000 0.000 0.283 342 L C -0.816 176.032 176.870 -0.035 0.000 1.089 342 L CA 0.433 55.255 54.840 -0.030 0.000 0.833 342 L CB 0.265 42.294 42.059 -0.050 0.000 1.170 342 L HN 0.385 nan 8.230 nan 0.000 0.442 343 L N 5.804 127.021 121.223 -0.010 0.000 2.334 343 L HA 0.566 4.906 4.340 -0.000 0.000 0.273 343 L C -0.836 176.033 176.870 -0.002 0.000 1.013 343 L CA -0.869 53.971 54.840 -0.000 0.000 0.816 343 L CB 1.908 43.989 42.059 0.037 0.000 1.278 343 L HN 0.542 nan 8.230 nan 0.000 0.431 344 L N 3.443 124.670 121.223 0.008 0.000 2.343 344 L HA 0.491 4.831 4.340 -0.000 0.000 0.278 344 L C -0.291 176.564 176.870 -0.024 0.000 0.996 344 L CA -0.025 54.820 54.840 0.008 0.000 0.831 344 L CB 0.964 43.037 42.059 0.023 0.000 1.232 344 L HN 0.591 nan 8.230 nan 0.000 0.413 345 N N 4.192 122.736 118.700 -0.259 0.000 2.727 345 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 345 N C 0.949 176.051 175.510 -0.681 0.000 1.048 345 N CA 1.343 53.852 53.050 -0.901 0.000 0.714 345 N CB -1.227 36.663 38.487 -0.996 0.000 0.959 345 N HN 1.195 nan 8.380 nan 0.000 0.544 346 G N -2.096 106.636 108.800 -0.113 0.000 2.184 346 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.264 346 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.264 346 G C -0.001 174.934 174.900 0.058 0.000 0.975 346 G CA 0.948 46.105 45.100 0.096 0.000 0.642 346 G HN 0.407 nan 8.290 nan 0.000 0.536 347 K N 0.924 121.352 120.400 0.045 0.000 2.203 347 K HA 0.525 4.845 4.320 -0.000 0.000 0.251 347 K C -2.659 173.921 176.600 -0.033 0.000 0.944 347 K CA -2.341 53.941 56.287 -0.009 0.000 0.829 347 K CB 2.331 34.768 32.500 -0.106 0.000 1.125 347 K HN 0.106 nan 8.250 nan 0.000 0.430 348 P HA 0.177 nan 4.420 nan 0.000 0.276 348 P C -0.187 177.053 177.300 -0.100 0.000 1.264 348 P CA -0.204 62.855 63.100 -0.069 0.000 0.769 348 P CB 0.524 32.188 31.700 -0.061 0.000 0.840 349 L N 3.791 124.950 121.223 -0.107 0.000 2.452 349 L HA 0.252 4.592 4.340 -0.000 0.000 0.267 349 L C 0.742 177.537 176.870 -0.125 0.000 1.188 349 L CA -0.547 54.219 54.840 -0.124 0.000 0.821 349 L CB 0.319 42.264 42.059 -0.190 0.000 1.102 349 L HN 0.295 nan 8.230 nan 0.000 0.470 350 L N 4.069 125.236 121.223 -0.094 0.000 2.388 350 L HA 0.402 4.742 4.340 -0.000 0.000 0.267 350 L C -0.456 176.372 176.870 -0.069 0.000 0.995 350 L CA -0.262 54.508 54.840 -0.117 0.000 0.864 350 L CB 0.855 42.876 42.059 -0.063 0.000 1.216 350 L HN 0.252 nan 8.230 nan 0.000 0.430 351 I N 4.882 125.344 120.570 -0.180 0.000 2.483 351 I HA 0.131 4.301 4.170 -0.000 0.000 0.291 351 I C 0.605 176.683 176.117 -0.065 0.000 1.112 351 I CA 0.356 61.553 61.300 -0.170 0.000 1.350 351 I CB 0.033 37.800 38.000 -0.389 0.000 1.419 351 I HN 0.555 nan 8.210 nan 0.000 0.523 352 R N 4.802 125.360 120.500 0.096 0.000 3.436 352 R HA 0.429 4.769 4.340 -0.000 0.000 0.247 352 R C 0.583 177.027 176.300 0.240 0.000 1.434 352 R CA -0.268 55.948 56.100 0.194 0.000 1.543 352 R CB 0.803 31.026 30.300 -0.128 0.000 1.289 352 R HN 0.756 nan 8.270 nan 0.000 0.664 353 G N 0.016 108.900 108.800 0.141 0.000 2.552 353 G HA2 0.607 4.567 3.960 -0.000 0.000 0.324 353 G HA3 0.607 4.567 3.960 -0.000 0.000 0.324 353 G C -1.263 173.931 174.900 0.489 0.000 1.217 353 G CA -0.466 44.725 45.100 0.150 0.000 0.989 353 G HN 0.211 nan 8.290 nan 0.000 0.490 354 V N -0.256 119.926 119.914 0.447 0.000 3.048 354 V HA 0.456 4.576 4.120 -0.000 0.000 0.303 354 V C -1.340 174.880 176.094 0.211 0.000 1.214 354 V CA -1.207 61.244 62.300 0.252 0.000 0.984 354 V CB 2.257 33.925 31.823 -0.258 0.000 1.054 354 V HN 0.752 nan 8.190 nan 0.000 0.430 355 N N 4.220 122.973 118.700 0.089 0.000 2.499 355 N HA 0.435 5.175 4.740 -0.000 0.000 0.281 355 N C -0.725 174.605 175.510 -0.301 0.000 1.098 355 N CA -0.279 52.698 53.050 -0.122 0.000 0.979 355 N CB 1.531 39.948 38.487 -0.116 0.000 1.121 355 N HN 0.633 nan 8.380 nan 0.000 0.466 356 R N 2.200 122.492 120.500 -0.347 0.000 2.483 356 R HA 0.216 4.556 4.340 -0.000 0.000 0.303 356 R C -0.955 175.113 176.300 -0.387 0.000 0.987 356 R CA -0.551 55.356 56.100 -0.321 0.000 0.881 356 R CB 0.750 30.834 30.300 -0.359 0.000 1.177 356 R HN 0.572 nan 8.270 nan 0.000 0.451 357 H N 2.241 121.153 119.070 -0.263 0.000 2.505 357 H HA 0.138 4.694 4.556 -0.000 0.000 0.355 357 H C -0.494 174.819 175.328 -0.026 0.000 1.179 357 H CA 0.048 56.026 56.048 -0.118 0.000 1.343 357 H CB 1.493 31.240 29.762 -0.025 0.000 1.501 357 H HN 0.577 nan 8.280 nan 0.000 0.569 358 E N 2.132 122.500 120.200 0.281 0.000 1.963 358 E HA 0.105 4.455 4.350 -0.000 0.000 0.274 358 E C -0.682 176.067 176.600 0.249 0.000 1.061 358 E CA -0.052 56.451 56.400 0.172 0.000 0.847 358 E CB 0.336 30.154 29.700 0.196 0.000 1.083 358 E HN 0.390 nan 8.360 nan 0.000 0.402 359 H N 1.575 120.703 119.070 0.096 0.000 2.806 359 H HA 0.286 4.842 4.556 -0.000 0.000 0.367 359 H C -1.593 173.786 175.328 0.085 0.000 1.136 359 H CA -0.700 55.401 56.048 0.087 0.000 1.178 359 H CB 1.196 30.995 29.762 0.061 0.000 1.718 359 H HN 0.384 nan 8.280 nan 0.000 0.540 360 H N 6.110 124.805 119.070 -0.625 0.000 2.782 360 H HA 0.202 4.758 4.556 -0.000 0.000 0.347 360 H C -2.316 172.639 175.328 -0.621 0.000 1.038 360 H CA -2.366 53.435 56.048 -0.411 0.000 1.255 360 H CB 2.728 32.377 29.762 -0.188 0.000 1.623 360 H HN 0.555 nan 8.280 nan 0.000 0.525 361 P HA -0.101 nan 4.420 nan 0.000 0.219 361 P C 1.156 178.390 177.300 -0.109 0.000 1.146 361 P CA 0.836 63.827 63.100 -0.183 0.000 0.808 361 P CB 0.903 32.526 31.700 -0.128 0.000 0.779 362 L N -1.521 119.753 121.223 0.085 0.000 2.269 362 L HA 0.081 4.421 4.340 -0.000 0.000 0.200 362 L C 2.227 178.983 176.870 -0.191 0.000 1.069 362 L CA 0.804 55.572 54.840 -0.120 0.000 0.804 362 L CB -0.814 41.072 42.059 -0.289 0.000 0.987 362 L HN 0.005 nan 8.230 nan 0.000 0.468 363 H N -0.425 118.559 119.070 -0.143 0.000 2.526 363 H HA 0.242 4.798 4.556 -0.000 0.000 0.274 363 H C 1.472 176.682 175.328 -0.197 0.000 0.999 363 H CA 0.113 56.018 56.048 -0.239 0.000 1.157 363 H CB 0.329 29.845 29.762 -0.411 0.000 1.407 363 H HN 0.422 nan 8.280 nan 0.000 0.568 364 G N 1.679 110.388 108.800 -0.152 0.000 2.675 364 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.312 364 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.312 364 G C 0.804 175.603 174.900 -0.169 0.000 1.186 364 G CA 0.595 45.551 45.100 -0.241 0.000 0.965 364 G HN 0.495 nan 8.290 nan 0.000 0.548 365 Q N -0.052 119.689 119.800 -0.099 0.000 2.198 365 Q HA 0.471 4.811 4.340 -0.000 0.000 0.209 365 Q C 0.127 176.225 176.000 0.163 0.000 0.848 365 Q CA -0.152 55.649 55.803 -0.004 0.000 0.974 365 Q CB 1.591 30.235 28.738 -0.156 0.000 1.115 365 Q HN 0.354 nan 8.270 nan 0.000 0.494 366 V N 2.259 122.242 119.914 0.115 0.000 2.455 366 V HA 0.158 4.278 4.120 -0.000 0.000 0.273 366 V C 0.201 176.355 176.094 0.100 0.000 1.045 366 V CA 0.144 62.517 62.300 0.123 0.000 0.976 366 V CB 0.830 32.657 31.823 0.005 0.000 0.993 366 V HN 0.329 nan 8.190 nan 0.000 0.475 367 M N 5.536 125.208 119.600 0.120 0.000 2.367 367 M HA 0.474 4.954 4.480 -0.000 0.000 0.339 367 M C -0.266 176.021 176.300 -0.023 0.000 1.177 367 M CA -0.328 55.009 55.300 0.061 0.000 1.068 367 M CB 1.648 34.270 32.600 0.036 0.000 1.602 367 M HN 0.847 nan 8.290 nan 0.000 0.457 368 D N 0.485 120.875 120.400 -0.017 0.000 2.547 368 D HA 0.221 4.861 4.640 -0.000 0.000 0.231 368 D C 0.074 176.362 176.300 -0.020 0.000 1.099 368 D CA -0.451 53.531 54.000 -0.031 0.000 0.901 368 D CB 1.959 42.773 40.800 0.024 0.000 1.478 368 D HN 0.701 nan 8.370 nan 0.000 0.471 369 E N 0.405 120.596 120.200 -0.015 0.000 2.070 369 E HA -0.307 4.043 4.350 -0.000 0.000 0.197 369 E C 1.857 178.497 176.600 0.067 0.000 1.004 369 E CA 1.570 57.987 56.400 0.028 0.000 0.805 369 E CB 0.140 29.870 29.700 0.050 0.000 0.744 369 E HN 0.594 nan 8.360 nan 0.000 0.451 370 Q N -0.348 119.497 119.800 0.075 0.000 2.061 370 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 370 Q C 1.996 178.055 176.000 0.098 0.000 0.984 370 Q CA 2.260 58.115 55.803 0.087 0.000 0.846 370 Q CB -0.058 28.735 28.738 0.092 0.000 0.902 370 Q HN 0.245 nan 8.270 nan 0.000 0.421 371 T N 0.892 115.516 114.554 0.118 0.000 2.746 371 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 371 T C 1.797 176.572 174.700 0.125 0.000 1.039 371 T CA 1.509 63.688 62.100 0.132 0.000 1.142 371 T CB -0.139 68.839 68.868 0.184 0.000 0.866 371 T HN 0.316 nan 8.240 nan 0.000 0.444 372 M N 0.486 120.163 119.600 0.129 0.000 2.117 372 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 372 M C 2.457 178.856 176.300 0.164 0.000 1.065 372 M CA 1.292 56.728 55.300 0.227 0.000 1.114 372 M CB -0.541 32.222 32.600 0.273 0.000 1.361 372 M HN 0.102 nan 8.290 nan 0.000 0.408 373 V N 0.300 120.252 119.914 0.064 0.000 2.343 373 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 373 V C 2.325 178.384 176.094 -0.060 0.000 1.051 373 V CA 2.140 64.404 62.300 -0.060 0.000 1.036 373 V CB -0.867 30.958 31.823 0.003 0.000 0.654 373 V HN 0.571 nan 8.190 nan 0.000 0.451 374 Q N -0.298 119.523 119.800 0.035 0.000 2.096 374 Q HA -0.276 4.064 4.340 -0.000 0.000 0.204 374 Q C 1.912 177.971 176.000 0.098 0.000 0.982 374 Q CA 2.210 58.055 55.803 0.069 0.000 0.850 374 Q CB -0.148 28.648 28.738 0.097 0.000 0.901 374 Q HN 0.621 nan 8.270 nan 0.000 0.422 375 D N 0.397 120.866 120.400 0.115 0.000 2.084 375 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 375 D C 1.974 178.201 176.300 -0.121 0.000 0.985 375 D CA 1.211 55.269 54.000 0.096 0.000 0.826 375 D CB -0.222 40.618 40.800 0.066 0.000 0.978 375 D HN 0.357 nan 8.370 nan 0.000 0.456 376 I N 0.762 121.256 120.570 -0.126 0.000 2.208 376 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 376 I C 2.441 178.413 176.117 -0.241 0.000 1.097 376 I CA 0.758 61.888 61.300 -0.284 0.000 1.363 376 I CB -0.199 37.509 38.000 -0.487 0.000 1.051 376 I HN 0.004 nan 8.210 nan 0.000 0.413 377 L N 0.052 121.169 121.223 -0.177 0.000 2.017 377 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 377 L C 2.565 179.493 176.870 0.097 0.000 1.073 377 L CA 1.380 56.210 54.840 -0.016 0.000 0.745 377 L CB -0.578 41.490 42.059 0.014 0.000 0.894 377 L HN 0.280 nan 8.230 nan 0.000 0.432 378 L N -1.003 120.295 121.223 0.126 0.000 2.083 378 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 378 L C 2.670 179.698 176.870 0.264 0.000 1.083 378 L CA 1.263 56.263 54.840 0.266 0.000 0.752 378 L CB -0.260 42.061 42.059 0.437 0.000 0.899 378 L HN 0.299 nan 8.230 nan 0.000 0.433 379 M N -0.616 118.965 119.600 -0.033 0.000 2.067 379 M HA -0.236 4.244 4.480 -0.000 0.000 0.260 379 M C 2.285 178.668 176.300 0.138 0.000 1.069 379 M CA 1.898 57.117 55.300 -0.134 0.000 1.117 379 M CB -0.293 31.997 32.600 -0.517 0.000 1.334 379 M HN 0.051 nan 8.290 nan 0.000 0.407 380 K N -0.100 120.278 120.400 -0.037 0.000 2.097 380 K HA -0.168 4.152 4.320 -0.000 0.000 0.205 380 K C 1.949 178.508 176.600 -0.068 0.000 1.050 380 K CA 1.220 57.382 56.287 -0.209 0.000 0.938 380 K CB -0.204 31.964 32.500 -0.555 0.000 0.718 380 K HN 0.444 nan 8.250 nan 0.000 0.442 381 Q N 0.349 120.278 119.800 0.214 0.000 2.291 381 Q HA -0.038 4.302 4.340 -0.000 0.000 0.205 381 Q C 0.696 176.974 176.000 0.463 0.000 0.970 381 Q CA 0.717 56.761 55.803 0.402 0.000 0.876 381 Q CB 0.155 29.105 28.738 0.352 0.000 0.935 381 Q HN 0.262 nan 8.270 nan 0.000 0.455 382 N N 0.732 119.655 118.700 0.371 0.000 2.321 382 N HA 0.060 4.800 4.740 -0.000 0.000 0.242 382 N C -0.743 174.843 175.510 0.126 0.000 1.141 382 N CA -0.002 53.252 53.050 0.339 0.000 0.864 382 N CB 0.673 39.439 38.487 0.465 0.000 1.100 382 N HN 0.148 nan 8.380 nan 0.000 0.510 383 N N 0.298 119.082 118.700 0.141 0.000 2.725 383 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 383 N C -0.849 174.567 175.510 -0.157 0.000 1.103 383 N CA 0.924 54.006 53.050 0.053 0.000 0.707 383 N CB -1.722 36.700 38.487 -0.107 0.000 1.043 383 N HN 0.293 nan 8.380 nan 0.000 0.553 384 F N 0.853 120.812 119.950 0.015 0.000 2.379 384 F HA 0.335 4.862 4.527 -0.000 0.000 0.332 384 F C 1.674 177.463 175.800 -0.019 0.000 1.096 384 F CA -0.652 57.344 58.000 -0.006 0.000 1.105 384 F CB 0.950 39.929 39.000 -0.036 0.000 1.189 384 F HN 0.047 nan 8.300 nan 0.000 0.515 385 N N 0.591 119.408 118.700 0.195 0.000 2.184 385 N HA 0.447 5.187 4.740 -0.000 0.000 0.234 385 N C -1.008 174.551 175.510 0.082 0.000 1.282 385 N CA -0.087 52.999 53.050 0.060 0.000 0.877 385 N CB 0.760 39.323 38.487 0.126 0.000 1.184 385 N HN 0.491 nan 8.380 nan 0.000 0.510 386 A N -0.547 122.390 122.820 0.196 0.000 2.594 386 A HA 0.761 5.080 4.320 -0.000 0.000 0.295 386 A C -1.802 176.000 177.584 0.363 0.000 1.071 386 A CA -0.717 51.501 52.037 0.302 0.000 0.685 386 A CB 1.858 21.048 19.000 0.315 0.000 1.285 386 A HN 0.251 nan 8.150 nan 0.000 0.405 387 V N 1.400 121.579 119.914 0.443 0.000 2.888 387 V HA 0.769 4.889 4.120 -0.000 0.000 0.309 387 V C -0.655 175.570 176.094 0.219 0.000 1.114 387 V CA -0.681 61.825 62.300 0.343 0.000 0.940 387 V CB 1.896 33.853 31.823 0.225 0.000 1.021 387 V HN 1.094 nan 8.190 nan 0.000 0.426 388 R N 4.915 125.393 120.500 -0.037 0.000 2.393 388 R HA 0.481 4.821 4.340 -0.000 0.000 0.310 388 R C -0.748 175.404 176.300 -0.246 0.000 0.968 388 R CA -0.487 55.405 56.100 -0.347 0.000 0.867 388 R CB 1.126 30.986 30.300 -0.733 0.000 1.124 388 R HN 0.803 nan 8.270 nan 0.000 0.450 389 C N 4.349 123.531 119.300 -0.196 0.000 2.896 389 C HA 0.115 4.575 4.460 -0.000 0.000 0.499 389 C C 0.601 175.310 174.990 -0.468 0.000 1.022 389 C CA -0.462 58.388 59.018 -0.280 0.000 1.127 389 C CB -1.989 25.696 27.740 -0.091 0.000 1.452 389 C HN 0.713 nan 8.230 nan 0.000 0.580 390 S N 1.520 116.824 115.700 -0.659 0.000 2.443 390 S HA 0.179 4.649 4.470 -0.000 0.000 0.284 390 S C -0.131 173.577 174.600 -1.487 0.000 1.206 390 S CA 0.178 57.734 58.200 -1.073 0.000 1.074 390 S CB 0.039 62.568 63.200 -1.118 0.000 0.963 390 S HN 0.733 nan 8.310 nan 0.000 0.501 391 H N 3.859 122.309 119.070 -1.034 0.000 2.511 391 H HA 0.309 4.865 4.556 -0.000 0.000 0.228 391 H C -1.156 174.059 175.328 -0.189 0.000 1.424 391 H CA -0.346 55.493 56.048 -0.349 0.000 1.321 391 H CB -0.058 29.695 29.762 -0.016 0.000 1.720 391 H HN 0.893 nan 8.280 nan 0.000 0.512 392 Y N -2.843 117.548 120.300 0.151 0.000 2.765 392 Y HA 0.400 4.950 4.550 -0.000 0.000 0.350 392 Y C -3.402 172.598 175.900 0.167 0.000 1.196 392 Y CA -3.088 55.113 58.100 0.169 0.000 1.119 392 Y CB -0.010 38.558 38.460 0.179 0.000 1.368 392 Y HN -0.085 nan 8.280 nan 0.000 0.463 393 P HA 0.191 nan 4.420 nan 0.000 0.268 393 P C -0.719 176.865 177.300 0.473 0.000 1.205 393 P CA 0.298 63.648 63.100 0.417 0.000 0.771 393 P CB 0.593 32.467 31.700 0.290 0.000 0.858 394 N N 0.738 119.726 118.700 0.480 0.000 2.447 394 N HA 0.107 4.847 4.740 -0.000 0.000 0.271 394 N C -0.073 175.672 175.510 0.391 0.000 1.226 394 N CA -0.372 52.870 53.050 0.320 0.000 0.980 394 N CB 0.026 38.487 38.487 -0.042 0.000 1.206 394 N HN 0.473 nan 8.380 nan 0.000 0.558 395 H N 2.353 121.526 119.070 0.172 0.000 3.094 395 H HA -0.013 4.543 4.556 -0.000 0.000 0.320 395 H C -1.490 174.009 175.328 0.284 0.000 1.000 395 H CA -0.813 55.325 56.048 0.150 0.000 1.413 395 H CB 0.789 30.607 29.762 0.094 0.000 1.405 395 H HN 0.422 nan 8.280 nan 0.000 0.586 396 P HA -0.231 nan 4.420 nan 0.000 0.217 396 P C 1.791 179.407 177.300 0.528 0.000 1.148 396 P CA 0.818 64.175 63.100 0.427 0.000 0.834 396 P CB 0.264 32.069 31.700 0.174 0.000 0.783 397 L N -0.825 120.773 121.223 0.625 0.000 2.131 397 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 397 L C 2.476 179.508 176.870 0.270 0.000 1.092 397 L CA 1.428 56.491 54.840 0.372 0.000 0.759 397 L CB -1.534 40.661 42.059 0.227 0.000 0.903 397 L HN 0.027 nan 8.230 nan 0.000 0.435 398 W N -0.438 120.890 121.300 0.047 0.000 2.321 398 W HA -0.340 4.320 4.660 -0.000 0.000 0.306 398 W C 2.056 178.429 176.519 -0.244 0.000 1.217 398 W CA 2.002 59.248 57.345 -0.166 0.000 1.257 398 W CB -0.367 28.895 29.460 -0.331 0.000 1.145 398 W HN 0.284 nan 8.180 nan 0.000 0.509 399 Y N 0.605 120.840 120.300 -0.108 0.000 2.242 399 Y HA -0.181 4.369 4.550 0.000 0.000 0.291 399 Y C 2.851 178.548 175.900 -0.339 0.000 1.137 399 Y CA 2.064 59.901 58.100 -0.439 0.000 1.181 399 Y CB -1.251 36.636 38.460 -0.955 0.000 0.989 399 Y HN -0.231 nan 8.280 nan 0.000 0.527 400 T N 0.636 115.212 114.554 0.038 0.000 2.788 400 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 400 T C 1.972 176.716 174.700 0.074 0.000 1.044 400 T CA 1.301 63.497 62.100 0.160 0.000 1.139 400 T CB -0.480 68.526 68.868 0.230 0.000 0.867 400 T HN 0.238 nan 8.240 nan 0.000 0.454 401 L N 0.231 121.450 121.223 -0.006 0.000 2.056 401 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 401 L C 2.827 179.676 176.870 -0.034 0.000 1.078 401 L CA 0.834 55.692 54.840 0.031 0.000 0.749 401 L CB -0.661 41.372 42.059 -0.043 0.000 0.901 401 L HN 0.356 nan 8.230 nan 0.000 0.433 402 C N -0.198 118.916 119.300 -0.311 0.000 2.435 402 C HA -0.130 4.330 4.460 -0.000 0.000 0.279 402 C C 2.408 177.441 174.990 0.072 0.000 1.321 402 C CA 0.348 59.217 59.018 -0.250 0.000 1.752 402 C CB -0.767 26.706 27.740 -0.445 0.000 1.959 402 C HN 0.537 nan 8.230 nan 0.000 0.500 403 D N 0.602 121.054 120.400 0.087 0.000 2.097 403 D HA -0.097 4.543 4.640 -0.000 0.000 0.195 403 D C 2.388 178.898 176.300 0.351 0.000 0.989 403 D CA 1.223 55.349 54.000 0.210 0.000 0.827 403 D CB -0.350 40.529 40.800 0.132 0.000 0.966 403 D HN 0.532 nan 8.370 nan 0.000 0.456 404 R N -0.859 119.742 120.500 0.168 0.000 2.093 404 R HA -0.009 4.331 4.340 -0.000 0.000 0.224 404 R C 2.223 178.488 176.300 -0.059 0.000 1.101 404 R CA 0.618 56.748 56.100 0.052 0.000 0.979 404 R CB -0.224 30.038 30.300 -0.064 0.000 0.877 404 R HN 0.280 nan 8.270 nan 0.000 0.441 405 Y N 0.052 120.366 120.300 0.024 0.000 2.420 405 Y HA 0.146 4.696 4.550 -0.000 0.000 0.292 405 Y C 1.022 176.860 175.900 -0.103 0.000 1.119 405 Y CA 0.826 58.913 58.100 -0.021 0.000 1.229 405 Y CB 0.562 38.980 38.460 -0.071 0.000 1.026 405 Y HN 0.250 nan 8.280 nan 0.000 0.554 406 G N 1.210 110.045 108.800 0.058 0.000 2.830 406 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.298 406 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.298 406 G C -1.166 173.582 174.900 -0.254 0.000 1.031 406 G CA -0.503 44.508 45.100 -0.148 0.000 1.179 406 G HN 0.173 nan 8.290 nan 0.000 0.527 407 L N 1.043 122.187 121.223 -0.131 0.000 2.482 407 L HA 0.471 4.811 4.340 -0.000 0.000 0.263 407 L C -0.094 176.772 176.870 -0.007 0.000 0.957 407 L CA -1.258 53.464 54.840 -0.197 0.000 0.836 407 L CB 2.026 43.988 42.059 -0.161 0.000 1.324 407 L HN 0.466 nan 8.230 nan 0.000 0.406 408 Y N 1.833 122.260 120.300 0.212 0.000 2.359 408 Y HA 0.400 4.950 4.550 -0.000 0.000 0.330 408 Y C 0.210 176.238 175.900 0.214 0.000 1.143 408 Y CA -0.702 57.556 58.100 0.263 0.000 1.318 408 Y CB 1.370 39.966 38.460 0.227 0.000 1.234 408 Y HN 0.157 nan 8.280 nan 0.000 0.522 409 V N 4.251 124.356 119.914 0.317 0.000 2.680 409 V HA 0.335 4.455 4.120 -0.000 0.000 0.309 409 V C -0.614 175.567 176.094 0.145 0.000 1.052 409 V CA -1.003 61.424 62.300 0.212 0.000 0.908 409 V CB 1.977 33.885 31.823 0.142 0.000 1.001 409 V HN 0.451 nan 8.190 nan 0.000 0.431 410 V N 3.133 123.104 119.914 0.094 0.000 2.311 410 V HA 0.316 4.436 4.120 -0.000 0.000 0.275 410 V C -0.342 175.793 176.094 0.067 0.000 1.022 410 V CA -0.409 61.900 62.300 0.015 0.000 0.830 410 V CB 1.368 33.094 31.823 -0.162 0.000 1.012 410 V HN 0.898 nan 8.190 nan 0.000 0.452 411 D N 4.175 124.656 120.400 0.135 0.000 2.277 411 D HA 0.278 4.918 4.640 -0.000 0.000 0.249 411 D C -0.162 176.331 176.300 0.322 0.000 1.134 411 D CA 0.059 54.236 54.000 0.294 0.000 0.863 411 D CB 1.159 42.181 40.800 0.369 0.000 1.143 411 D HN 0.685 nan 8.370 nan 0.000 0.458 412 E N 2.025 122.379 120.200 0.256 0.000 2.222 412 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 412 E C -1.081 175.658 176.600 0.232 0.000 0.884 412 E CA -1.126 55.411 56.400 0.228 0.000 0.764 412 E CB 1.372 31.160 29.700 0.146 0.000 1.169 412 E HN 0.467 nan 8.360 nan 0.000 0.413 413 A N 3.741 126.688 122.820 0.212 0.000 2.498 413 A HA 0.043 4.363 4.320 -0.000 0.000 0.239 413 A C 0.290 177.997 177.584 0.206 0.000 1.068 413 A CA -0.180 51.961 52.037 0.173 0.000 0.766 413 A CB 0.065 19.130 19.000 0.109 0.000 1.003 413 A HN 0.686 nan 8.150 nan 0.000 0.497 414 N N 1.685 120.517 118.700 0.220 0.000 2.971 414 N HA 0.239 4.979 4.740 -0.000 0.000 0.294 414 N C -0.982 174.653 175.510 0.209 0.000 1.210 414 N CA 0.274 53.488 53.050 0.273 0.000 1.157 414 N CB -0.802 37.846 38.487 0.269 0.000 1.450 414 N HN 0.478 nan 8.380 nan 0.000 0.527 415 I N 1.156 121.844 120.570 0.197 0.000 2.531 415 I HA 0.241 4.411 4.170 -0.000 0.000 0.283 415 I C -0.669 175.541 176.117 0.155 0.000 1.083 415 I CA -0.552 60.843 61.300 0.157 0.000 1.071 415 I CB 1.621 39.686 38.000 0.109 0.000 1.210 415 I HN 0.272 nan 8.210 nan 0.000 0.450 416 E N 4.264 124.550 120.200 0.142 0.000 2.287 416 E HA 0.373 4.723 4.350 -0.000 0.000 0.274 416 E C -0.514 176.138 176.600 0.087 0.000 0.896 416 E CA -0.437 56.017 56.400 0.091 0.000 0.788 416 E CB 1.684 31.416 29.700 0.053 0.000 1.244 416 E HN 0.577 nan 8.360 nan 0.000 0.408 417 T N 0.637 115.239 114.554 0.081 0.000 3.355 417 T HA 0.157 4.507 4.350 -0.000 0.000 0.276 417 T C 0.906 175.661 174.700 0.091 0.000 1.003 417 T CA -0.328 61.849 62.100 0.128 0.000 0.943 417 T CB -0.279 68.651 68.868 0.103 0.000 1.158 417 T HN 0.663 nan 8.240 nan 0.000 0.513 418 H N 1.171 120.160 119.070 -0.134 0.000 2.394 418 H HA -0.085 4.471 4.556 -0.000 0.000 0.297 418 H C 2.255 177.474 175.328 -0.182 0.000 1.113 418 H CA 1.305 57.248 56.048 -0.176 0.000 1.277 418 H CB -0.171 29.446 29.762 -0.241 0.000 1.370 418 H HN 0.589 nan 8.280 nan 0.000 0.506 419 G N 0.075 108.757 108.800 -0.195 0.000 2.848 419 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.208 419 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.208 419 G C 0.379 175.423 174.900 0.239 0.000 1.152 419 G CA -0.180 44.856 45.100 -0.107 0.000 0.789 419 G HN 0.139 nan 8.290 nan 0.000 0.531 420 M N 0.432 120.191 119.600 0.266 0.000 2.228 420 M HA 0.342 4.822 4.480 -0.000 0.000 0.326 420 M C -0.451 175.886 176.300 0.062 0.000 1.122 420 M CA -0.442 54.955 55.300 0.161 0.000 1.161 420 M CB 1.528 34.181 32.600 0.090 0.000 1.437 420 M HN -0.216 nan 8.290 nan 0.000 0.465 421 V N 4.178 124.106 119.914 0.024 0.000 2.380 421 V HA 0.353 4.473 4.120 -0.000 0.000 0.286 421 V C -1.902 174.186 176.094 -0.009 0.000 1.015 421 V CA -1.236 61.064 62.300 0.001 0.000 0.834 421 V CB 1.533 33.350 31.823 -0.010 0.000 1.009 421 V HN 0.733 nan 8.190 nan 0.000 0.428 422 P HA 0.264 nan 4.420 nan 0.000 0.279 422 P C 1.006 178.314 177.300 0.013 0.000 1.282 422 P CA -0.573 62.527 63.100 0.000 0.000 0.788 422 P CB 1.203 32.904 31.700 0.002 0.000 1.139 423 M N 0.545 120.159 119.600 0.024 0.000 2.267 423 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 423 M C 1.253 177.583 176.300 0.050 0.000 1.063 423 M CA 1.816 57.141 55.300 0.043 0.000 1.090 423 M CB -0.450 32.170 32.600 0.033 0.000 1.392 423 M HN 0.366 nan 8.290 nan 0.000 0.422 424 N N -0.169 118.558 118.700 0.046 0.000 2.276 424 N HA -0.064 4.676 4.740 -0.000 0.000 0.212 424 N C 1.139 176.639 175.510 -0.016 0.000 1.127 424 N CA 0.121 53.199 53.050 0.048 0.000 0.834 424 N CB -0.688 37.844 38.487 0.076 0.000 1.014 424 N HN 0.365 nan 8.380 nan 0.000 0.491 425 R N 0.369 120.845 120.500 -0.039 0.000 2.117 425 R HA 0.001 4.341 4.340 -0.000 0.000 0.243 425 R C 1.410 177.624 176.300 -0.143 0.000 1.143 425 R CA 1.285 57.339 56.100 -0.076 0.000 0.968 425 R CB 0.004 30.256 30.300 -0.079 0.000 0.863 425 R HN 0.283 nan 8.270 nan 0.000 0.444 426 L N -0.729 120.354 121.223 -0.234 0.000 2.168 426 L HA -0.004 4.336 4.340 -0.000 0.000 0.203 426 L C 2.440 179.184 176.870 -0.211 0.000 1.078 426 L CA 1.253 55.841 54.840 -0.420 0.000 0.780 426 L CB -0.499 41.073 42.059 -0.812 0.000 0.939 426 L HN 0.332 nan 8.230 nan 0.000 0.451 427 T N -4.168 110.291 114.554 -0.159 0.000 3.051 427 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 427 T C 1.179 175.795 174.700 -0.140 0.000 1.127 427 T CA 1.374 63.364 62.100 -0.184 0.000 1.107 427 T CB -0.228 68.501 68.868 -0.232 0.000 0.898 427 T HN 0.161 nan 8.240 nan 0.000 0.517 428 D N 0.680 121.034 120.400 -0.078 0.000 2.398 428 D HA 0.104 4.744 4.640 -0.000 0.000 0.210 428 D C -0.275 176.010 176.300 -0.025 0.000 1.094 428 D CA -0.287 53.678 54.000 -0.058 0.000 0.839 428 D CB 0.058 40.831 40.800 -0.046 0.000 0.963 428 D HN 0.268 nan 8.370 nan 0.000 0.506 429 D N 0.242 120.643 120.400 0.002 0.000 2.317 429 D HA 0.105 4.745 4.640 -0.000 0.000 0.234 429 D C -1.518 174.834 176.300 0.087 0.000 1.112 429 D CA -2.217 51.820 54.000 0.062 0.000 0.840 429 D CB 1.914 42.795 40.800 0.134 0.000 1.078 429 D HN 0.011 nan 8.370 nan 0.000 0.486 430 P HA -0.177 nan 4.420 nan 0.000 0.221 430 P C 1.313 178.614 177.300 0.003 0.000 1.145 430 P CA 0.594 63.702 63.100 0.014 0.000 0.795 430 P CB 0.370 32.067 31.700 -0.004 0.000 0.775 431 R N -0.867 119.641 120.500 0.013 0.000 2.152 431 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 431 R C 1.348 177.518 176.300 -0.216 0.000 1.117 431 R CA 1.217 57.256 56.100 -0.103 0.000 0.981 431 R CB -0.431 29.799 30.300 -0.117 0.000 0.870 431 R HN 0.200 nan 8.270 nan 0.000 0.451 432 W N -0.228 121.017 121.300 -0.092 0.000 3.278 432 W HA 0.115 4.775 4.660 -0.000 0.000 0.308 432 W C 1.372 177.832 176.519 -0.098 0.000 1.253 432 W CA -0.585 56.705 57.345 -0.091 0.000 1.759 432 W CB 0.111 29.517 29.460 -0.091 0.000 1.093 432 W HN 0.093 nan 8.180 nan 0.000 0.648 433 L N 2.140 123.392 121.223 0.048 0.000 2.042 433 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 433 L C -0.695 176.141 176.870 -0.056 0.000 1.076 433 L CA 2.243 57.073 54.840 -0.017 0.000 0.749 433 L CB -1.661 40.376 42.059 -0.037 0.000 0.893 433 L HN -0.223 nan 8.230 nan 0.000 0.432 434 P HA -0.158 nan 4.420 nan 0.000 0.214 434 P C 1.631 178.877 177.300 -0.091 0.000 1.163 434 P CA 2.176 65.213 63.100 -0.104 0.000 0.883 434 P CB -0.208 31.418 31.700 -0.124 0.000 0.788 435 A N -1.169 121.611 122.820 -0.067 0.000 1.902 435 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 435 A C 2.222 179.817 177.584 0.019 0.000 1.181 435 A CA 1.975 54.007 52.037 -0.008 0.000 0.623 435 A CB -1.472 17.561 19.000 0.055 0.000 0.818 435 A HN 0.108 nan 8.150 nan 0.000 0.443 436 M N 0.198 119.816 119.600 0.029 0.000 2.132 436 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 436 M C 2.576 178.818 176.300 -0.098 0.000 1.065 436 M CA 1.780 57.072 55.300 -0.014 0.000 1.122 436 M CB -0.390 32.186 32.600 -0.041 0.000 1.365 436 M HN 0.662 nan 8.290 nan 0.000 0.411 437 S N 0.241 115.853 115.700 -0.147 0.000 2.370 437 S HA -0.200 4.270 4.470 -0.000 0.000 0.226 437 S C 1.646 176.064 174.600 -0.304 0.000 1.033 437 S CA 1.567 59.609 58.200 -0.264 0.000 1.011 437 S CB -0.642 62.383 63.200 -0.292 0.000 0.852 437 S HN 0.518 nan 8.310 nan 0.000 0.457 438 E N 0.863 120.937 120.200 -0.209 0.000 2.204 438 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 438 E C 2.405 178.913 176.600 -0.153 0.000 0.990 438 E CA 0.752 57.038 56.400 -0.190 0.000 0.821 438 E CB -0.076 29.549 29.700 -0.125 0.000 0.750 438 E HN 0.560 nan 8.360 nan 0.000 0.477 439 R N -0.194 120.245 120.500 -0.102 0.000 2.148 439 R HA -0.046 4.294 4.340 -0.000 0.000 0.223 439 R C 2.160 178.414 176.300 -0.077 0.000 1.088 439 R CA 0.521 56.593 56.100 -0.047 0.000 0.985 439 R CB 0.170 30.481 30.300 0.018 0.000 0.880 439 R HN 0.018 nan 8.270 nan 0.000 0.451 440 V N 0.038 119.860 119.914 -0.154 0.000 2.374 440 V HA -0.173 3.947 4.120 -0.000 0.000 0.241 440 V C 2.464 178.371 176.094 -0.312 0.000 1.034 440 V CA 2.112 64.298 62.300 -0.190 0.000 1.037 440 V CB -0.248 31.458 31.823 -0.196 0.000 0.682 440 V HN 0.500 nan 8.190 nan 0.000 0.463 441 T N -0.588 113.645 114.554 -0.534 0.000 2.746 441 T HA -0.253 4.097 4.350 -0.000 0.000 0.267 441 T C 1.910 176.440 174.700 -0.284 0.000 1.039 441 T CA 1.494 63.184 62.100 -0.683 0.000 1.142 441 T CB -0.428 67.834 68.868 -1.009 0.000 0.866 441 T HN 0.405 nan 8.240 nan 0.000 0.444 442 R N 0.189 120.549 120.500 -0.232 0.000 2.189 442 R HA 0.244 4.584 4.340 -0.000 0.000 0.218 442 R C 2.596 178.813 176.300 -0.138 0.000 1.074 442 R CA 1.180 57.182 56.100 -0.163 0.000 0.991 442 R CB -0.413 29.798 30.300 -0.148 0.000 0.883 442 R HN 0.506 nan 8.270 nan 0.000 0.457 443 M N 0.480 120.003 119.600 -0.128 0.000 2.123 443 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 443 M C 1.789 178.015 176.300 -0.124 0.000 1.069 443 M CA 1.565 56.821 55.300 -0.072 0.000 1.133 443 M CB 0.164 32.759 32.600 -0.008 0.000 1.356 443 M HN -0.043 nan 8.290 nan 0.000 0.415 444 V N 1.129 120.860 119.914 -0.305 0.000 2.343 444 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 444 V C 2.263 178.259 176.094 -0.164 0.000 1.051 444 V CA 1.967 63.978 62.300 -0.482 0.000 1.036 444 V CB -0.960 30.559 31.823 -0.506 0.000 0.654 444 V HN 0.591 nan 8.190 nan 0.000 0.451 445 Q N -0.678 119.054 119.800 -0.114 0.000 2.224 445 Q HA -0.195 4.145 4.340 -0.000 0.000 0.203 445 Q C 2.460 178.380 176.000 -0.134 0.000 0.970 445 Q CA 1.343 57.084 55.803 -0.103 0.000 0.865 445 Q CB -0.141 28.556 28.738 -0.069 0.000 0.922 445 Q HN 0.540 nan 8.270 nan 0.000 0.445 446 R N 0.425 120.844 120.500 -0.136 0.000 2.066 446 R HA -0.086 4.254 4.340 -0.000 0.000 0.224 446 R C 0.577 176.817 176.300 -0.101 0.000 1.122 446 R CA 1.342 57.343 56.100 -0.164 0.000 0.974 446 R CB 0.393 30.593 30.300 -0.167 0.000 0.871 446 R HN 0.166 nan 8.270 nan 0.000 0.435 447 D N 0.014 120.414 120.400 -0.001 0.000 2.369 447 D HA -0.017 4.622 4.640 -0.000 0.000 0.211 447 D C 1.363 177.778 176.300 0.190 0.000 1.077 447 D CA 0.128 54.178 54.000 0.083 0.000 0.842 447 D CB 0.153 40.920 40.800 -0.056 0.000 0.947 447 D HN 0.378 nan 8.370 nan 0.000 0.509 448 R N 0.796 121.426 120.500 0.218 0.000 2.249 448 R HA -0.028 4.312 4.340 -0.000 0.000 0.230 448 R C 0.814 177.124 176.300 0.018 0.000 1.121 448 R CA 0.913 57.142 56.100 0.216 0.000 0.997 448 R CB -0.332 30.030 30.300 0.104 0.000 0.867 448 R HN -0.045 nan 8.270 nan 0.000 0.465 449 N N 0.196 118.844 118.700 -0.088 0.000 2.353 449 N HA -0.007 4.733 4.740 -0.000 0.000 0.185 449 N C -0.426 174.972 175.510 -0.187 0.000 1.098 449 N CA 0.252 53.222 53.050 -0.134 0.000 0.872 449 N CB 0.096 38.493 38.487 -0.151 0.000 0.970 449 N HN 0.287 nan 8.380 nan 0.000 0.467 450 H N 1.818 120.834 119.070 -0.090 0.000 2.878 450 H HA 0.083 4.639 4.556 0.000 0.000 0.290 450 H C -1.137 174.049 175.328 -0.237 0.000 1.065 450 H CA -1.134 54.842 56.048 -0.120 0.000 1.477 450 H CB 1.406 31.131 29.762 -0.062 0.000 1.484 450 H HN 0.094 nan 8.280 nan 0.000 0.504 451 P HA -0.163 nan 4.420 nan 0.000 0.218 451 P C 1.469 178.307 177.300 -0.769 0.000 1.149 451 P CA 1.183 63.928 63.100 -0.592 0.000 0.817 451 P CB 0.312 31.450 31.700 -0.937 0.000 0.785 452 S N -0.496 114.849 115.700 -0.592 0.000 2.399 452 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 452 S C 1.158 175.740 174.600 -0.029 0.000 1.022 452 S CA 0.504 58.552 58.200 -0.254 0.000 0.983 452 S CB -1.574 61.614 63.200 -0.020 0.000 0.803 452 S HN -0.046 nan 8.310 nan 0.000 0.480 453 V N 3.793 123.659 119.914 -0.080 0.000 2.415 453 V HA 0.224 4.344 4.120 -0.000 0.000 0.267 453 V C 1.138 177.102 176.094 -0.216 0.000 1.042 453 V CA 0.067 62.288 62.300 -0.131 0.000 1.000 453 V CB 0.294 31.952 31.823 -0.275 0.000 1.015 453 V HN 0.642 nan 8.190 nan 0.000 0.478 454 I N 2.690 123.191 120.570 -0.116 0.000 4.187 454 I HA 0.492 4.662 4.170 -0.000 0.000 0.326 454 I C 0.395 176.413 176.117 -0.165 0.000 1.302 454 I CA 0.517 61.755 61.300 -0.104 0.000 1.196 454 I CB 0.497 38.512 38.000 0.024 0.000 1.095 454 I HN 0.312 nan 8.210 nan 0.000 0.411 455 I N 0.237 120.692 120.570 -0.192 0.000 2.619 455 I HA 0.360 4.530 4.170 -0.000 0.000 0.292 455 I C -1.548 174.486 176.117 -0.137 0.000 1.100 455 I CA -0.442 60.784 61.300 -0.123 0.000 1.043 455 I CB 2.117 40.134 38.000 0.029 0.000 1.239 455 I HN 0.029 nan 8.210 nan 0.000 0.420 456 W N 3.860 125.217 121.300 0.095 0.000 2.496 456 W HA 0.601 5.261 4.660 -0.000 0.000 0.327 456 W C 0.364 176.955 176.519 0.120 0.000 1.086 456 W CA -0.648 56.758 57.345 0.102 0.000 1.222 456 W CB 1.745 31.262 29.460 0.095 0.000 1.304 456 W HN 0.304 nan 8.180 nan 0.000 0.547 457 S N 2.920 118.860 115.700 0.401 0.000 2.500 457 S HA 0.382 4.852 4.470 -0.000 0.000 0.301 457 S C 0.346 175.112 174.600 0.277 0.000 1.092 457 S CA -0.696 57.682 58.200 0.298 0.000 1.030 457 S CB 0.833 64.162 63.200 0.216 0.000 1.031 457 S HN 0.587 nan 8.310 nan 0.000 0.483 458 L N 4.108 125.485 121.223 0.256 0.000 2.610 458 L HA 0.309 4.649 4.340 -0.000 0.000 0.232 458 L C 1.431 178.357 176.870 0.094 0.000 1.149 458 L CA 0.623 55.534 54.840 0.118 0.000 0.872 458 L CB -0.993 41.042 42.059 -0.039 0.000 0.992 458 L HN 0.977 nan 8.230 nan 0.000 0.447 459 G N -0.191 108.749 108.800 0.234 0.000 2.260 459 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.250 459 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.250 459 G C -1.721 173.372 174.900 0.322 0.000 1.340 459 G CA -0.503 44.743 45.100 0.243 0.000 1.056 459 G HN 0.157 nan 8.290 nan 0.000 0.471 460 N N 0.081 118.917 118.700 0.226 0.000 2.405 460 N HA 0.458 5.198 4.740 -0.000 0.000 0.274 460 N C -0.591 174.874 175.510 -0.075 0.000 1.170 460 N CA 0.042 53.086 53.050 -0.010 0.000 0.848 460 N CB 1.594 39.813 38.487 -0.445 0.000 1.629 460 N HN 0.866 nan 8.380 nan 0.000 0.481 461 E N 0.809 120.873 120.200 -0.225 0.000 2.131 461 E HA -0.183 4.167 4.350 -0.000 0.000 0.166 461 E C -0.863 175.656 176.600 -0.136 0.000 1.514 461 E CA 0.806 56.997 56.400 -0.348 0.000 0.646 461 E CB -1.286 27.946 29.700 -0.779 0.000 1.051 461 E HN 0.436 nan 8.360 nan 0.000 0.315 462 S N 0.179 115.936 115.700 0.094 0.000 2.977 462 S HA 0.399 4.869 4.470 -0.000 0.000 0.250 462 S C 0.639 175.403 174.600 0.273 0.000 1.005 462 S CA -0.220 58.097 58.200 0.194 0.000 1.081 462 S CB 1.385 64.761 63.200 0.293 0.000 1.018 462 S HN 0.874 nan 8.310 nan 0.000 0.539 463 G N 2.034 110.924 108.800 0.149 0.000 2.598 463 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.269 463 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.269 463 G C -0.492 174.598 174.900 0.317 0.000 1.289 463 G CA -0.013 45.180 45.100 0.156 0.000 0.926 463 G HN 0.660 nan 8.290 nan 0.000 0.567 464 H N 0.531 119.715 119.070 0.190 0.000 2.800 464 H HA 0.571 5.127 4.556 -0.000 0.000 0.322 464 H C 0.328 175.825 175.328 0.283 0.000 0.979 464 H CA -0.032 56.169 56.048 0.255 0.000 1.277 464 H CB 0.636 30.480 29.762 0.138 0.000 1.484 464 H HN 1.026 nan 8.280 nan 0.000 0.512 465 G N 1.518 110.402 108.800 0.140 0.000 2.600 465 G HA2 0.450 4.410 3.960 -0.000 0.000 0.303 465 G HA3 0.450 4.410 3.960 -0.000 0.000 0.303 465 G C 0.601 175.377 174.900 -0.207 0.000 1.253 465 G CA -0.153 44.873 45.100 -0.124 0.000 0.974 465 G HN 0.669 nan 8.290 nan 0.000 0.483 466 A N 0.326 123.052 122.820 -0.155 0.000 2.024 466 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 466 A C 2.112 179.670 177.584 -0.044 0.000 1.164 466 A CA 1.868 53.856 52.037 -0.081 0.000 0.643 466 A CB -0.414 18.560 19.000 -0.043 0.000 0.806 466 A HN 0.530 nan 8.150 nan 0.000 0.451 467 N N -0.332 118.307 118.700 -0.102 0.000 2.223 467 N HA -0.130 4.610 4.740 -0.000 0.000 0.185 467 N C 1.367 176.808 175.510 -0.114 0.000 1.016 467 N CA 1.633 54.609 53.050 -0.124 0.000 0.863 467 N CB -0.632 37.742 38.487 -0.188 0.000 0.983 467 N HN 0.786 nan 8.380 nan 0.000 0.429 468 H N 0.338 119.385 119.070 -0.039 0.000 2.357 468 H HA -0.006 4.550 4.556 -0.000 0.000 0.301 468 H C 1.255 176.649 175.328 0.110 0.000 1.082 468 H CA 1.242 57.277 56.048 -0.022 0.000 1.342 468 H CB 0.165 29.919 29.762 -0.014 0.000 1.389 468 H HN 0.197 nan 8.280 nan 0.000 0.511 469 D N 0.435 120.987 120.400 0.253 0.000 2.144 469 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 469 D C 2.285 178.737 176.300 0.253 0.000 0.984 469 D CA 1.146 55.301 54.000 0.258 0.000 0.834 469 D CB -0.304 40.613 40.800 0.195 0.000 0.955 469 D HN 0.430 nan 8.370 nan 0.000 0.465 470 A N 1.009 123.925 122.820 0.159 0.000 1.877 470 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 470 A C 2.416 180.102 177.584 0.170 0.000 1.186 470 A CA 0.937 53.055 52.037 0.136 0.000 0.620 470 A CB -0.793 18.245 19.000 0.064 0.000 0.822 470 A HN 0.187 nan 8.150 nan 0.000 0.443 471 L N -1.968 119.338 121.223 0.138 0.000 2.217 471 L HA -0.128 4.212 4.340 -0.000 0.000 0.211 471 L C 2.553 179.561 176.870 0.231 0.000 1.107 471 L CA 1.361 56.285 54.840 0.141 0.000 0.783 471 L CB -0.634 41.440 42.059 0.024 0.000 0.919 471 L HN 0.625 nan 8.230 nan 0.000 0.442 472 Y N 1.309 121.692 120.300 0.138 0.000 2.145 472 Y HA -0.299 4.251 4.550 -0.000 0.000 0.286 472 Y C 2.803 178.785 175.900 0.136 0.000 1.145 472 Y CA 1.684 59.870 58.100 0.142 0.000 1.148 472 Y CB -0.156 38.392 38.460 0.146 0.000 0.981 472 Y HN -0.043 nan 8.280 nan 0.000 0.507 473 R N -0.086 120.481 120.500 0.112 0.000 2.092 473 R HA -0.190 4.150 4.340 -0.000 0.000 0.231 473 R C 2.017 178.298 176.300 -0.032 0.000 1.119 473 R CA 1.832 57.922 56.100 -0.017 0.000 0.970 473 R CB -1.483 28.902 30.300 0.141 0.000 0.864 473 R HN 0.651 nan 8.270 nan 0.000 0.440 474 W N 0.490 121.737 121.300 -0.088 0.000 2.335 474 W HA -0.142 4.518 4.660 -0.000 0.000 0.311 474 W C 1.626 178.052 176.519 -0.155 0.000 1.213 474 W CA 1.999 59.284 57.345 -0.101 0.000 1.274 474 W CB -0.276 29.130 29.460 -0.090 0.000 1.148 474 W HN 0.075 nan 8.180 nan 0.000 0.498 475 I N 0.859 121.409 120.570 -0.033 0.000 2.179 475 I HA -0.358 3.812 4.170 -0.000 0.000 0.242 475 I C 2.459 178.375 176.117 -0.335 0.000 1.088 475 I CA 1.411 62.552 61.300 -0.265 0.000 1.357 475 I CB -0.756 37.164 38.000 -0.133 0.000 1.051 475 I HN -0.115 nan 8.210 nan 0.000 0.409 476 K N 0.364 120.574 120.400 -0.318 0.000 2.152 476 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 476 K C 2.265 178.723 176.600 -0.236 0.000 1.048 476 K CA 1.569 57.693 56.287 -0.272 0.000 0.933 476 K CB -0.607 31.678 32.500 -0.358 0.000 0.721 476 K HN 0.278 nan 8.250 nan 0.000 0.447 477 S N 0.912 116.432 115.700 -0.300 0.000 2.357 477 S HA -0.091 4.379 4.470 -0.000 0.000 0.221 477 S C 2.076 176.456 174.600 -0.367 0.000 1.031 477 S CA 1.300 59.325 58.200 -0.292 0.000 0.982 477 S CB -0.169 62.856 63.200 -0.292 0.000 0.853 477 S HN 0.170 nan 8.310 nan 0.000 0.458 478 V N -0.606 118.942 119.914 -0.610 0.000 2.591 478 V HA 0.234 4.354 4.120 -0.000 0.000 0.249 478 V C 0.457 176.330 176.094 -0.369 0.000 1.053 478 V CA 1.568 63.509 62.300 -0.598 0.000 1.068 478 V CB -0.528 30.657 31.823 -1.062 0.000 0.689 478 V HN 0.480 nan 8.190 nan 0.000 0.462 479 D N 1.046 121.273 120.400 -0.289 0.000 2.405 479 D HA 0.353 4.993 4.640 -0.000 0.000 0.264 479 D C -1.888 174.407 176.300 -0.009 0.000 1.240 479 D CA -1.846 52.100 54.000 -0.089 0.000 0.893 479 D CB 1.586 42.421 40.800 0.060 0.000 1.198 479 D HN 0.226 nan 8.370 nan 0.000 0.514 480 P HA -0.045 nan 4.420 nan 0.000 0.242 480 P C 0.889 178.211 177.300 0.036 0.000 1.197 480 P CA 0.325 63.422 63.100 -0.005 0.000 0.765 480 P CB 0.192 31.880 31.700 -0.021 0.000 0.936 481 S N -1.086 114.646 115.700 0.053 0.000 2.562 481 S HA 0.092 4.562 4.470 -0.000 0.000 0.221 481 S C 0.895 175.525 174.600 0.050 0.000 0.975 481 S CA -0.304 57.932 58.200 0.059 0.000 0.918 481 S CB -0.312 62.920 63.200 0.053 0.000 0.772 481 S HN 0.103 nan 8.310 nan 0.000 0.531 482 R N 1.083 121.627 120.500 0.072 0.000 2.628 482 R HA 0.546 4.886 4.340 -0.000 0.000 0.288 482 R C -3.223 173.136 176.300 0.099 0.000 0.980 482 R CA -2.209 53.903 56.100 0.021 0.000 0.891 482 R CB 1.502 31.691 30.300 -0.185 0.000 1.188 482 R HN 0.144 nan 8.270 nan 0.000 0.450 483 P HA 0.109 nan 4.420 nan 0.000 0.272 483 P C -0.864 176.555 177.300 0.198 0.000 1.240 483 P CA -0.406 62.767 63.100 0.122 0.000 0.791 483 P CB 0.694 32.448 31.700 0.091 0.000 0.978 484 V N 1.911 121.977 119.914 0.253 0.000 2.540 484 V HA 0.413 4.533 4.120 -0.000 0.000 0.302 484 V C 0.055 176.350 176.094 0.335 0.000 1.035 484 V CA -0.317 62.185 62.300 0.337 0.000 0.873 484 V CB 1.252 33.271 31.823 0.327 0.000 0.992 484 V HN 0.609 nan 8.190 nan 0.000 0.428 485 Q N 3.881 123.851 119.800 0.285 0.000 2.458 485 Q HA 0.824 5.164 4.340 -0.000 0.000 0.282 485 Q C -1.886 174.278 176.000 0.274 0.000 1.106 485 Q CA -0.942 54.989 55.803 0.214 0.000 0.814 485 Q CB 3.059 31.871 28.738 0.124 0.000 1.425 485 Q HN 0.616 nan 8.270 nan 0.000 0.437 486 Y N 0.089 120.398 120.300 0.015 0.000 2.357 486 Y HA 0.144 4.694 4.550 -0.000 0.000 0.319 486 Y C -0.565 175.277 175.900 -0.097 0.000 1.225 486 Y CA -0.807 57.271 58.100 -0.036 0.000 1.095 486 Y CB 2.004 40.432 38.460 -0.053 0.000 1.302 486 Y HN 0.954 nan 8.280 nan 0.000 0.429 487 E N 3.347 123.087 120.200 -0.766 0.000 2.250 487 E HA 0.128 4.478 4.350 -0.000 0.000 0.192 487 E C 0.701 176.859 176.600 -0.738 0.000 0.986 487 E CA 0.788 56.827 56.400 -0.603 0.000 0.849 487 E CB 0.210 29.686 29.700 -0.374 0.000 0.797 487 E HN 0.893 nan 8.360 nan 0.000 0.482 488 G N -0.089 107.881 108.800 -1.383 0.000 2.474 488 G HA2 0.201 4.161 3.960 -0.000 0.000 0.233 488 G HA3 0.201 4.161 3.960 -0.000 0.000 0.233 488 G C 0.810 175.534 174.900 -0.294 0.000 1.278 488 G CA 0.353 45.011 45.100 -0.735 0.000 0.861 488 G HN 0.368 nan 8.290 nan 0.000 0.567 489 G N -0.452 108.300 108.800 -0.081 0.000 2.160 489 G HA2 0.230 4.190 3.960 -0.000 0.000 0.251 489 G HA3 0.230 4.190 3.960 -0.000 0.000 0.251 489 G C 1.276 176.176 174.900 -0.000 0.000 1.008 489 G CA 1.001 46.119 45.100 0.030 0.000 0.724 489 G HN 2.642 nan 8.290 nan 0.000 0.514 490 G N -1.592 107.204 108.800 -0.007 0.000 2.205 490 G HA2 0.423 4.383 3.960 -0.000 0.000 0.180 490 G HA3 0.423 4.383 3.960 -0.000 0.000 0.180 490 G C 1.119 176.127 174.900 0.180 0.000 1.004 490 G CA 1.249 46.411 45.100 0.102 0.000 0.670 490 G HN 2.326 nan 8.290 nan 0.000 0.496 491 A N -0.147 122.659 122.820 -0.024 0.000 3.420 491 A HA -0.164 4.156 4.320 -0.000 0.000 0.269 491 A C 1.176 178.680 177.584 -0.132 0.000 1.122 491 A CA 2.727 54.688 52.037 -0.126 0.000 1.023 491 A CB -1.717 17.183 19.000 -0.167 0.000 1.099 491 A HN 2.121 nan 8.150 nan 0.000 0.860 492 D N -0.945 119.461 120.400 0.009 0.000 2.760 492 D HA 0.297 4.937 4.640 -0.000 0.000 0.314 492 D C 0.408 176.695 176.300 -0.022 0.000 1.464 492 D CA 0.816 54.825 54.000 0.016 0.000 0.797 492 D CB -1.154 39.789 40.800 0.238 0.000 1.149 492 D HN 0.779 nan 8.370 nan 0.000 0.455 493 T N -2.409 112.062 114.554 -0.139 0.000 2.689 493 T HA 0.187 4.537 4.350 -0.000 0.000 0.308 493 T C 1.592 176.157 174.700 -0.225 0.000 1.021 493 T CA 0.492 62.441 62.100 -0.252 0.000 0.973 493 T CB 0.644 69.112 68.868 -0.667 0.000 1.113 493 T HN 0.084 nan 8.240 nan 0.000 0.522 494 T N -2.735 111.685 114.554 -0.223 0.000 3.160 494 T HA 0.257 4.607 4.350 -0.000 0.000 0.257 494 T C 1.487 175.942 174.700 -0.408 0.000 1.147 494 T CA 0.206 62.191 62.100 -0.191 0.000 1.064 494 T CB -0.468 68.373 68.868 -0.046 0.000 0.949 494 T HN 0.818 nan 8.240 nan 0.000 0.526 495 A N 0.465 123.061 122.820 -0.374 0.000 2.460 495 A HA 0.517 4.837 4.320 -0.000 0.000 0.258 495 A C 0.804 178.172 177.584 -0.361 0.000 1.300 495 A CA -0.299 51.473 52.037 -0.442 0.000 0.913 495 A CB 0.075 19.105 19.000 0.050 0.000 1.031 495 A HN 0.426 nan 8.150 nan 0.000 0.512 496 T N -1.324 113.030 114.554 -0.333 0.000 2.952 496 T HA 0.351 4.701 4.350 -0.000 0.000 0.305 496 T C -0.659 174.034 174.700 -0.012 0.000 1.064 496 T CA -0.461 61.602 62.100 -0.061 0.000 1.008 496 T CB 1.196 70.041 68.868 -0.038 0.000 1.078 496 T HN 0.102 nan 8.240 nan 0.000 0.459 497 D N 3.000 123.483 120.400 0.138 0.000 2.348 497 D HA 0.241 4.881 4.640 -0.000 0.000 0.211 497 D C 0.408 176.739 176.300 0.051 0.000 0.998 497 D CA 0.701 54.779 54.000 0.130 0.000 0.873 497 D CB 0.493 41.408 40.800 0.191 0.000 0.925 497 D HN 0.545 nan 8.370 nan 0.000 0.524 498 I N 1.045 121.628 120.570 0.021 0.000 2.545 498 I HA 0.254 4.424 4.170 -0.000 0.000 0.292 498 I C -0.161 175.892 176.117 -0.106 0.000 1.040 498 I CA -0.901 60.380 61.300 -0.033 0.000 1.068 498 I CB 2.809 40.803 38.000 -0.010 0.000 1.251 498 I HN -0.356 nan 8.210 nan 0.000 0.424 499 I N 5.680 126.142 120.570 -0.180 0.000 2.494 499 I HA 0.045 4.215 4.170 -0.000 0.000 0.289 499 I C 0.218 176.131 176.117 -0.340 0.000 1.106 499 I CA -0.005 61.090 61.300 -0.341 0.000 1.369 499 I CB 0.084 37.781 38.000 -0.505 0.000 1.410 499 I HN 0.680 nan 8.210 nan 0.000 0.523 500 C N 5.750 124.865 119.300 -0.309 0.000 3.276 500 C HA 0.456 4.916 4.460 -0.000 0.000 0.226 500 C C -2.010 172.843 174.990 -0.229 0.000 1.502 500 C CA -2.276 56.612 59.018 -0.217 0.000 1.488 500 C CB -0.920 26.752 27.740 -0.114 0.000 2.014 500 C HN 0.447 nan 8.230 nan 0.000 0.492 501 P HA 0.283 nan 4.420 nan 0.000 0.272 501 P C -0.493 176.760 177.300 -0.078 0.000 1.230 501 P CA 0.385 63.380 63.100 -0.176 0.000 0.788 501 P CB 0.939 32.512 31.700 -0.212 0.000 0.949 502 M N 0.730 120.313 119.600 -0.028 0.000 2.167 502 M HA 0.428 4.908 4.480 -0.000 0.000 0.333 502 M C -0.823 175.467 176.300 -0.015 0.000 1.030 502 M CA -0.650 54.537 55.300 -0.188 0.000 0.963 502 M CB 1.060 33.543 32.600 -0.195 0.000 1.589 502 M HN 0.319 nan 8.290 nan 0.000 0.431 503 Y N -0.037 120.444 120.300 0.302 0.000 4.272 503 Y HA -0.203 4.347 4.550 -0.000 0.000 0.232 503 Y C 0.409 176.495 175.900 0.309 0.000 1.149 503 Y CA 0.421 58.705 58.100 0.307 0.000 1.961 503 Y CB -2.179 36.445 38.460 0.273 0.000 1.611 503 Y HN 0.978 nan 8.280 nan 0.000 0.682 504 A N 1.037 124.083 122.820 0.376 0.000 2.401 504 A HA 0.627 4.947 4.320 -0.000 0.000 0.259 504 A C 0.675 178.477 177.584 0.364 0.000 1.103 504 A CA -0.519 51.740 52.037 0.370 0.000 0.789 504 A CB 0.458 19.714 19.000 0.427 0.000 1.035 504 A HN 0.416 nan 8.150 nan 0.000 0.491 505 R N 1.421 122.065 120.500 0.239 0.000 2.583 505 R HA 0.328 4.668 4.340 -0.000 0.000 0.268 505 R C 1.018 177.274 176.300 -0.073 0.000 1.101 505 R CA -0.708 55.460 56.100 0.113 0.000 1.180 505 R CB 0.613 30.954 30.300 0.069 0.000 1.128 505 R HN 0.494 nan 8.270 nan 0.000 0.568 506 V N 0.738 120.447 119.914 -0.342 0.000 2.244 506 V HA -0.214 3.906 4.120 -0.000 0.000 0.244 506 V C 1.045 177.014 176.094 -0.207 0.000 1.042 506 V CA 1.901 63.961 62.300 -0.400 0.000 1.006 506 V CB -0.264 31.212 31.823 -0.579 0.000 0.641 506 V HN 0.762 nan 8.190 nan 0.000 0.446 507 D N -1.290 119.024 120.400 -0.143 0.000 2.455 507 D HA 0.078 4.718 4.640 -0.000 0.000 0.228 507 D C 0.966 177.247 176.300 -0.031 0.000 1.070 507 D CA 0.040 53.994 54.000 -0.078 0.000 0.881 507 D CB 0.602 41.362 40.800 -0.067 0.000 1.087 507 D HN 0.527 nan 8.370 nan 0.000 0.498 508 E N 2.126 122.311 120.200 -0.024 0.000 2.194 508 E HA 0.089 4.439 4.350 -0.000 0.000 0.284 508 E C -0.740 175.857 176.600 -0.005 0.000 1.035 508 E CA -0.551 55.843 56.400 -0.009 0.000 0.836 508 E CB 0.872 30.568 29.700 -0.006 0.000 1.070 508 E HN -0.191 nan 8.360 nan 0.000 0.401 509 D N 3.910 124.309 120.400 -0.002 0.000 2.313 509 D HA 0.123 4.763 4.640 -0.000 0.000 0.247 509 D C -0.532 175.662 176.300 -0.177 0.000 1.094 509 D CA 0.142 54.134 54.000 -0.014 0.000 0.925 509 D CB 1.260 42.133 40.800 0.121 0.000 1.188 509 D HN 0.473 nan 8.370 nan 0.000 0.430 510 Q N 1.297 120.868 119.800 -0.382 0.000 2.932 510 Q HA 0.222 4.562 4.340 -0.000 0.000 0.248 510 Q C -2.212 173.197 176.000 -0.985 0.000 0.982 510 Q CA -1.465 53.915 55.803 -0.705 0.000 0.730 510 Q CB 2.296 30.559 28.738 -0.791 0.000 1.249 510 Q HN 0.179 nan 8.270 nan 0.000 0.476 511 P HA -0.067 nan 4.420 nan 0.000 0.237 511 P C -0.621 176.404 177.300 -0.457 0.000 1.701 511 P CA 0.150 62.852 63.100 -0.663 0.000 0.955 511 P CB -0.642 30.870 31.700 -0.314 0.000 1.937 512 F N 1.642 121.417 119.950 -0.292 0.000 2.553 512 F HA 0.122 4.649 4.527 -0.000 0.000 0.356 512 F C -1.194 174.504 175.800 -0.170 0.000 1.142 512 F CA -2.221 55.672 58.000 -0.179 0.000 1.322 512 F CB -0.611 38.304 39.000 -0.141 0.000 1.126 512 F HN 0.051 nan 8.300 nan 0.000 0.599 513 P HA 0.110 nan 4.420 nan 0.000 0.268 513 P C 0.241 177.559 177.300 0.029 0.000 1.205 513 P CA 1.055 64.176 63.100 0.034 0.000 0.771 513 P CB 1.117 32.837 31.700 0.033 0.000 0.858 514 A N 2.513 125.345 122.820 0.020 0.000 2.621 514 A HA -0.258 4.062 4.320 -0.000 0.000 0.235 514 A C 0.794 178.393 177.584 0.025 0.000 0.477 514 A CA 2.247 54.301 52.037 0.029 0.000 1.115 514 A CB -2.706 16.312 19.000 0.030 0.000 1.400 514 A HN 0.667 nan 8.150 nan 0.000 0.691 515 V N -2.802 117.122 119.914 0.016 0.000 2.454 515 V HA 0.565 4.685 4.120 -0.000 0.000 0.255 515 V C -2.064 174.026 176.094 -0.006 0.000 1.009 515 V CA -1.260 61.050 62.300 0.017 0.000 1.149 515 V CB 0.553 32.390 31.823 0.024 0.000 1.418 515 V HN 0.532 nan 8.190 nan 0.000 0.567 516 P HA 0.293 nan 4.420 nan 0.000 0.272 516 P C -0.708 176.205 177.300 -0.646 0.000 1.230 516 P CA -0.046 62.697 63.100 -0.596 0.000 0.788 516 P CB 1.167 32.085 31.700 -1.303 0.000 0.949 517 K N 1.908 121.943 120.400 -0.607 0.000 2.530 517 K HA 0.221 4.541 4.320 -0.000 0.000 0.230 517 K C -0.535 175.797 176.600 -0.447 0.000 1.002 517 K CA -0.291 55.841 56.287 -0.258 0.000 1.014 517 K CB 0.459 33.057 32.500 0.163 0.000 1.286 517 K HN 0.462 nan 8.250 nan 0.000 0.480 518 W N 1.288 122.268 121.300 -0.533 0.000 2.126 518 W HA 0.082 4.742 4.660 -0.000 0.000 0.346 518 W C 1.320 177.832 176.519 -0.011 0.000 1.279 518 W CA -0.478 56.645 57.345 -0.371 0.000 1.259 518 W CB 0.454 29.518 29.460 -0.660 0.000 1.133 518 W HN 0.354 nan 8.180 nan 0.000 0.592 519 S N 2.966 118.812 115.700 0.243 0.000 2.558 519 S HA -0.073 4.397 4.470 -0.000 0.000 0.293 519 S C 1.155 175.893 174.600 0.230 0.000 1.292 519 S CA -0.202 58.088 58.200 0.149 0.000 1.063 519 S CB 0.140 63.376 63.200 0.059 0.000 0.831 519 S HN 0.520 nan 8.310 nan 0.000 0.499 520 I N 2.128 122.799 120.570 0.168 0.000 2.454 520 I HA -0.128 4.042 4.170 -0.000 0.000 0.254 520 I C 1.974 178.111 176.117 0.033 0.000 1.156 520 I CA 1.158 62.563 61.300 0.174 0.000 1.433 520 I CB -0.394 37.648 38.000 0.070 0.000 1.082 520 I HN 0.603 nan 8.210 nan 0.000 0.432 521 K N 1.647 121.967 120.400 -0.133 0.000 2.057 521 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 521 K C 2.276 178.867 176.600 -0.015 0.000 1.050 521 K CA 1.606 57.722 56.287 -0.285 0.000 0.935 521 K CB -0.187 32.067 32.500 -0.410 0.000 0.715 521 K HN 0.379 nan 8.250 nan 0.000 0.439 522 K N 0.341 120.759 120.400 0.029 0.000 2.062 522 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 522 K C 1.931 178.563 176.600 0.053 0.000 1.051 522 K CA 0.832 57.129 56.287 0.017 0.000 0.941 522 K CB -0.082 32.398 32.500 -0.035 0.000 0.719 522 K HN 0.195 nan 8.250 nan 0.000 0.440 523 W N 2.155 123.450 121.300 -0.009 0.000 2.318 523 W HA -0.237 4.423 4.660 -0.000 0.000 0.313 523 W C 1.675 178.184 176.519 -0.016 0.000 1.221 523 W CA 1.346 58.700 57.345 0.016 0.000 1.266 523 W CB -0.738 28.793 29.460 0.118 0.000 1.150 523 W HN 0.119 nan 8.180 nan 0.000 0.496 524 L N 0.695 122.082 121.223 0.274 0.000 2.043 524 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 524 L C 2.265 179.206 176.870 0.119 0.000 1.075 524 L CA 2.141 57.076 54.840 0.159 0.000 0.752 524 L CB -1.098 41.042 42.059 0.136 0.000 0.891 524 L HN 0.002 nan 8.230 nan 0.000 0.432 525 S N -1.434 114.319 115.700 0.090 0.000 2.597 525 S HA 0.247 4.717 4.470 -0.000 0.000 0.224 525 S C 0.594 175.186 174.600 -0.013 0.000 0.955 525 S CA -0.526 57.698 58.200 0.039 0.000 0.933 525 S CB -0.442 62.780 63.200 0.036 0.000 0.788 525 S HN 0.156 nan 8.310 nan 0.000 0.488 526 L N 1.972 123.177 121.223 -0.030 0.000 2.506 526 L HA 0.186 4.526 4.340 -0.000 0.000 0.281 526 L C -2.196 174.641 176.870 -0.055 0.000 1.228 526 L CA -1.574 53.199 54.840 -0.112 0.000 0.850 526 L CB -0.329 41.636 42.059 -0.156 0.000 1.110 526 L HN 0.034 nan 8.230 nan 0.000 0.496 527 P HA -0.044 nan 4.420 nan 0.000 0.256 527 P C 0.701 177.993 177.300 -0.013 0.000 1.173 527 P CA 1.192 64.267 63.100 -0.041 0.000 0.768 527 P CB 0.372 32.041 31.700 -0.052 0.000 0.758 528 G N 2.032 110.832 108.800 0.000 0.000 2.225 528 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 528 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 528 G C 0.285 175.202 174.900 0.028 0.000 0.988 528 G CA -0.006 45.103 45.100 0.014 0.000 0.625 528 G HN 0.596 nan 8.290 nan 0.000 0.527 529 E N 1.099 121.322 120.200 0.038 0.000 2.338 529 E HA 0.585 4.935 4.350 -0.000 0.000 0.272 529 E C 1.339 177.966 176.600 0.045 0.000 1.029 529 E CA 0.745 57.180 56.400 0.059 0.000 0.872 529 E CB 0.813 30.576 29.700 0.106 0.000 1.015 529 E HN 0.594 nan 8.360 nan 0.000 0.417 530 T N 0.578 115.155 114.554 0.038 0.000 3.130 530 T HA 0.322 4.671 4.350 -0.000 0.000 0.288 530 T C 0.505 175.218 174.700 0.020 0.000 0.936 530 T CA -0.466 61.651 62.100 0.029 0.000 0.897 530 T CB 0.073 68.956 68.868 0.026 0.000 1.178 530 T HN 0.260 nan 8.240 nan 0.000 0.543 531 R N 2.468 122.976 120.500 0.014 0.000 2.637 531 R HA 0.473 4.813 4.340 -0.000 0.000 0.269 531 R C -2.470 173.815 176.300 -0.024 0.000 1.089 531 R CA -1.818 54.280 56.100 -0.003 0.000 1.177 531 R CB 0.181 30.473 30.300 -0.015 0.000 1.091 531 R HN 0.269 nan 8.270 nan 0.000 0.540 532 P HA 0.116 nan 4.420 nan 0.000 0.279 532 P C -1.136 176.102 177.300 -0.104 0.000 1.252 532 P CA -0.215 62.850 63.100 -0.058 0.000 0.811 532 P CB 0.892 32.559 31.700 -0.054 0.000 1.035 533 L N 2.913 124.057 121.223 -0.132 0.000 2.349 533 L HA 0.571 4.911 4.340 -0.000 0.000 0.278 533 L C -0.952 175.788 176.870 -0.218 0.000 0.996 533 L CA -0.769 53.954 54.840 -0.195 0.000 0.825 533 L CB 0.560 42.496 42.059 -0.204 0.000 1.243 533 L HN 0.254 nan 8.230 nan 0.000 0.412 534 I N 5.756 126.201 120.570 -0.208 0.000 2.500 534 I HA 0.254 4.424 4.170 -0.000 0.000 0.286 534 I C -0.742 175.292 176.117 -0.139 0.000 1.063 534 I CA -0.605 60.563 61.300 -0.220 0.000 1.062 534 I CB 2.039 39.965 38.000 -0.124 0.000 1.223 534 I HN 0.489 nan 8.210 nan 0.000 0.435 535 L N 5.644 126.759 121.223 -0.179 0.000 2.462 535 L HA 0.037 4.377 4.340 -0.000 0.000 0.272 535 L C 1.469 178.428 176.870 0.147 0.000 1.166 535 L CA -0.173 54.627 54.840 -0.067 0.000 0.880 535 L CB 0.611 42.602 42.059 -0.114 0.000 1.142 535 L HN 0.858 nan 8.230 nan 0.000 0.473 536 C N 0.298 119.664 119.300 0.111 0.000 2.468 536 C HA 0.158 4.618 4.460 -0.000 0.000 0.277 536 C C 0.647 175.784 174.990 0.244 0.000 1.400 536 C CA -0.225 58.899 59.018 0.176 0.000 1.770 536 C CB -1.063 26.686 27.740 0.016 0.000 1.905 536 C HN 0.831 nan 8.230 nan 0.000 0.519 537 E N -0.877 119.402 120.200 0.132 0.000 2.321 537 E HA 0.604 4.954 4.350 -0.000 0.000 0.281 537 E C -1.367 175.171 176.600 -0.104 0.000 0.910 537 E CA -0.390 56.056 56.400 0.077 0.000 0.770 537 E CB 2.033 31.626 29.700 -0.179 0.000 1.225 537 E HN 0.650 nan 8.360 nan 0.000 0.417 538 Y N -0.780 119.482 120.300 -0.063 0.000 2.677 538 Y HA 0.589 5.139 4.550 -0.000 0.000 0.334 538 Y C -0.795 175.244 175.900 0.231 0.000 1.196 538 Y CA -0.674 57.412 58.100 -0.023 0.000 1.059 538 Y CB 0.824 39.161 38.460 -0.206 0.000 1.315 538 Y HN 0.673 nan 8.280 nan 0.000 0.455 539 A N 2.014 124.840 122.820 0.010 0.000 2.475 539 A HA -0.255 4.065 4.320 -0.000 0.000 0.295 539 A C -0.335 177.347 177.584 0.164 0.000 1.457 539 A CA 1.032 53.071 52.037 0.003 0.000 0.734 539 A CB -2.547 16.315 19.000 -0.230 0.000 1.118 539 A HN 1.149 nan 8.150 nan 0.000 0.400 540 H N 0.408 119.627 119.070 0.248 0.000 3.184 540 H HA 0.237 4.793 4.556 -0.000 0.000 0.274 540 H C 1.067 176.449 175.328 0.091 0.000 0.962 540 H CA 1.067 57.275 56.048 0.267 0.000 1.441 540 H CB 0.506 30.312 29.762 0.074 0.000 1.518 540 H HN 0.827 nan 8.280 nan 0.000 0.539 541 A N 5.167 127.924 122.820 -0.105 0.000 2.929 541 A HA 0.371 4.691 4.320 -0.000 0.000 0.279 541 A C 0.868 178.354 177.584 -0.164 0.000 1.418 541 A CA 0.040 51.996 52.037 -0.135 0.000 1.035 541 A CB -0.535 18.362 19.000 -0.172 0.000 1.047 541 A HN 0.727 nan 8.150 nan 0.000 0.609 542 A N 0.377 123.121 122.820 -0.127 0.000 2.395 542 A HA 0.543 4.863 4.320 -0.000 0.000 0.286 542 A C 1.418 178.876 177.584 -0.209 0.000 1.193 542 A CA 0.541 52.493 52.037 -0.143 0.000 0.852 542 A CB -0.861 18.100 19.000 -0.065 0.000 1.118 542 A HN 2.201 nan 8.150 nan 0.000 0.524 543 G N 2.594 111.250 108.800 -0.239 0.000 2.583 543 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.292 543 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.292 543 G C 0.457 174.886 174.900 -0.785 0.000 1.203 543 G CA 0.339 45.121 45.100 -0.529 0.000 0.987 543 G HN 1.198 nan 8.290 nan 0.000 0.554 544 N N 1.433 119.482 118.700 -1.085 0.000 2.466 544 N HA 0.465 5.205 4.740 -0.000 0.000 0.263 544 N C 0.040 175.295 175.510 -0.426 0.000 1.178 544 N CA 1.124 53.705 53.050 -0.782 0.000 0.983 544 N CB 0.342 38.379 38.487 -0.750 0.000 1.331 544 N HN 0.784 nan 8.380 nan 0.000 0.500 545 S N 2.037 117.577 115.700 -0.268 0.000 2.998 545 S HA 0.622 5.092 4.470 -0.000 0.000 0.323 545 S C -0.092 174.441 174.600 -0.111 0.000 1.141 545 S CA -0.364 57.732 58.200 -0.174 0.000 0.873 545 S CB 0.197 63.322 63.200 -0.125 0.000 1.315 545 S HN 0.360 nan 8.310 nan 0.000 0.637 546 L N 0.119 121.309 121.223 -0.055 0.000 4.447 546 L HA -0.040 4.300 4.340 -0.000 0.000 0.400 546 L C 0.428 177.340 176.870 0.071 0.000 1.110 546 L CA 0.888 55.724 54.840 -0.006 0.000 1.010 546 L CB -1.728 40.250 42.059 -0.135 0.000 2.154 546 L HN 0.727 nan 8.230 nan 0.000 0.685 547 G N -0.820 107.990 108.800 0.016 0.000 2.378 547 G HA2 0.493 4.453 3.960 -0.000 0.000 0.255 547 G HA3 0.493 4.453 3.960 -0.000 0.000 0.255 547 G C 1.221 176.169 174.900 0.080 0.000 1.270 547 G CA 0.164 45.254 45.100 -0.017 0.000 0.876 547 G HN 1.408 nan 8.290 nan 0.000 0.521 548 G N 1.654 110.501 108.800 0.077 0.000 2.176 548 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.253 548 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.253 548 G C 1.020 176.115 174.900 0.324 0.000 0.979 548 G CA 0.759 45.963 45.100 0.174 0.000 0.641 548 G HN 0.828 nan 8.290 nan 0.000 0.530 549 F N 1.880 121.957 119.950 0.212 0.000 2.161 549 F HA 0.111 4.638 4.527 -0.000 0.000 0.300 549 F C 2.635 178.658 175.800 0.371 0.000 1.089 549 F CA 2.508 60.700 58.000 0.320 0.000 1.282 549 F CB -0.417 38.707 39.000 0.206 0.000 1.010 549 F HN 0.354 nan 8.300 nan 0.000 0.485 550 A N -0.270 122.714 122.820 0.273 0.000 2.019 550 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 550 A C 2.285 179.894 177.584 0.041 0.000 1.164 550 A CA 1.711 53.840 52.037 0.154 0.000 0.644 550 A CB -0.806 18.293 19.000 0.165 0.000 0.805 550 A HN 0.472 nan 8.150 nan 0.000 0.449 551 K N -1.624 118.789 120.400 0.022 0.000 2.097 551 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 551 K C 1.691 178.078 176.600 -0.355 0.000 1.049 551 K CA 1.550 57.767 56.287 -0.116 0.000 0.933 551 K CB -0.323 32.116 32.500 -0.102 0.000 0.717 551 K HN 0.547 nan 8.250 nan 0.000 0.442 552 Y N -0.700 119.332 120.300 -0.446 0.000 2.114 552 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 552 Y C 1.952 176.875 175.900 -1.629 0.000 1.143 552 Y CA 1.727 59.212 58.100 -1.026 0.000 1.135 552 Y CB -0.355 37.535 38.460 -0.951 0.000 0.980 552 Y HN 0.169 nan 8.280 nan 0.000 0.499 553 W N -0.036 120.820 121.300 -0.740 0.000 2.392 553 W HA -0.176 4.484 4.660 -0.000 0.000 0.279 553 W C 2.562 178.903 176.519 -0.296 0.000 1.225 553 W CA 1.325 58.377 57.345 -0.489 0.000 1.233 553 W CB -0.434 28.844 29.460 -0.303 0.000 1.122 553 W HN 0.082 nan 8.180 nan 0.000 0.561 554 Q N 0.734 120.440 119.800 -0.156 0.000 2.079 554 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 554 Q C 2.200 178.135 176.000 -0.109 0.000 0.974 554 Q CA 1.957 57.713 55.803 -0.079 0.000 0.840 554 Q CB -0.502 28.201 28.738 -0.058 0.000 0.898 554 Q HN 0.273 nan 8.270 nan 0.000 0.430 555 A N 0.137 122.792 122.820 -0.274 0.000 1.898 555 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 555 A C 1.806 179.347 177.584 -0.070 0.000 1.181 555 A CA 1.103 53.004 52.037 -0.226 0.000 0.620 555 A CB -0.773 17.959 19.000 -0.447 0.000 0.819 555 A HN 0.359 nan 8.150 nan 0.000 0.442 556 F N 0.295 120.077 119.950 -0.280 0.000 2.161 556 F HA -0.119 4.408 4.527 0.000 0.000 0.300 556 F C 2.509 178.221 175.800 -0.147 0.000 1.089 556 F CA 1.228 59.035 58.000 -0.322 0.000 1.282 556 F CB -0.784 37.815 39.000 -0.669 0.000 1.010 556 F HN 0.187 nan 8.300 nan 0.000 0.485 557 R N -0.304 120.261 120.500 0.109 0.000 2.153 557 R HA -0.112 4.228 4.340 -0.000 0.000 0.218 557 R C 2.115 178.454 176.300 0.066 0.000 1.072 557 R CA 0.958 57.104 56.100 0.076 0.000 0.990 557 R CB -0.397 29.942 30.300 0.065 0.000 0.889 557 R HN 0.390 nan 8.270 nan 0.000 0.452 558 Q N -0.146 119.719 119.800 0.108 0.000 2.163 558 Q HA -0.045 4.295 4.340 -0.000 0.000 0.198 558 Q C -0.399 175.656 176.000 0.091 0.000 0.954 558 Q CA 0.876 56.742 55.803 0.104 0.000 0.851 558 Q CB 0.353 29.183 28.738 0.153 0.000 0.928 558 Q HN 0.165 nan 8.270 nan 0.000 0.459 559 Y N 0.506 120.791 120.300 -0.025 0.000 2.367 559 Y HA 0.250 4.800 4.550 -0.000 0.000 0.342 559 Y C -1.775 174.105 175.900 -0.033 0.000 0.979 559 Y CA -2.801 55.285 58.100 -0.024 0.000 1.161 559 Y CB 1.245 39.695 38.460 -0.017 0.000 1.155 559 Y HN 0.164 nan 8.280 nan 0.000 0.503 560 P HA -0.177 nan 4.420 nan 0.000 0.215 560 P C 1.141 178.448 177.300 0.012 0.000 1.157 560 P CA 1.878 64.985 63.100 0.012 0.000 0.874 560 P CB 0.298 31.989 31.700 -0.016 0.000 0.790 561 R N -1.156 119.370 120.500 0.043 0.000 2.307 561 R HA 0.088 4.428 4.340 -0.000 0.000 0.199 561 R C 0.430 176.718 176.300 -0.020 0.000 1.000 561 R CA 0.178 56.286 56.100 0.013 0.000 1.023 561 R CB -0.479 29.840 30.300 0.032 0.000 0.908 561 R HN 0.244 nan 8.270 nan 0.000 0.473 562 L N 1.904 123.131 121.223 0.007 0.000 2.302 562 L HA 0.145 4.485 4.340 -0.000 0.000 0.285 562 L C 0.429 177.173 176.870 -0.211 0.000 1.090 562 L CA 0.090 54.888 54.840 -0.070 0.000 0.866 562 L CB 1.111 43.195 42.059 0.042 0.000 1.244 562 L HN 0.061 nan 8.230 nan 0.000 0.435 563 Q N 2.708 122.316 119.800 -0.320 0.000 2.217 563 Q HA 0.302 4.642 4.340 -0.000 0.000 0.226 563 Q C 0.870 176.469 176.000 -0.669 0.000 0.875 563 Q CA 0.085 55.655 55.803 -0.387 0.000 0.974 563 Q CB 0.820 29.415 28.738 -0.238 0.000 1.079 563 Q HN 0.930 nan 8.270 nan 0.000 0.463 564 G N -0.491 107.519 108.800 -1.316 0.000 2.451 564 G HA2 0.086 4.046 3.960 -0.000 0.000 0.208 564 G HA3 0.086 4.046 3.960 -0.000 0.000 0.208 564 G C -0.259 173.810 174.900 -1.384 0.000 1.248 564 G CA -0.774 43.200 45.100 -1.876 0.000 0.989 564 G HN 0.609 nan 8.290 nan 0.000 0.559 565 G N -2.302 105.960 108.800 -0.897 0.000 2.349 565 G HA2 0.637 4.597 3.960 -0.000 0.000 0.294 565 G HA3 0.637 4.597 3.960 -0.000 0.000 0.294 565 G C -1.765 173.039 174.900 -0.160 0.000 1.380 565 G CA -0.246 44.551 45.100 -0.504 0.000 0.811 565 G HN 1.173 nan 8.290 nan 0.000 0.519 566 F N 0.852 121.015 119.950 0.355 0.000 2.375 566 F HA 0.511 5.038 4.527 -0.000 0.000 0.361 566 F C 0.844 176.933 175.800 0.483 0.000 1.117 566 F CA -0.781 57.471 58.000 0.420 0.000 1.037 566 F CB 1.855 41.001 39.000 0.243 0.000 1.192 566 F HN 0.246 nan 8.300 nan 0.000 0.452 567 V N 3.279 123.508 119.914 0.525 0.000 2.901 567 V HA -0.165 3.955 4.120 -0.000 0.000 0.307 567 V C -0.233 176.001 176.094 0.233 0.000 1.084 567 V CA -0.113 62.280 62.300 0.155 0.000 1.184 567 V CB 0.613 32.530 31.823 0.156 0.000 0.941 567 V HN 0.784 nan 8.190 nan 0.000 0.493 568 W N 6.434 127.779 121.300 0.074 0.000 2.336 568 W HA 0.476 5.136 4.660 -0.000 0.000 0.315 568 W C -0.937 175.550 176.519 -0.053 0.000 1.016 568 W CA -0.727 56.685 57.345 0.112 0.000 1.318 568 W CB 1.412 31.069 29.460 0.328 0.000 1.247 568 W HN 0.924 nan 8.180 nan 0.000 0.414 569 D N 2.564 122.644 120.400 -0.535 0.000 2.895 569 D HA 0.113 4.753 4.640 -0.000 0.000 0.320 569 D C 0.748 176.819 176.300 -0.381 0.000 1.249 569 D CA -0.510 53.085 54.000 -0.675 0.000 0.997 569 D CB 0.208 40.068 40.800 -1.566 0.000 1.430 569 D HN 0.379 nan 8.370 nan 0.000 0.558 570 W N 0.374 121.361 121.300 -0.521 0.000 2.380 570 W HA 0.135 4.795 4.660 0.000 0.000 0.317 570 W C -0.044 176.245 176.519 -0.383 0.000 1.196 570 W CA 1.283 58.374 57.345 -0.423 0.000 1.307 570 W CB 0.298 29.534 29.460 -0.374 0.000 1.157 570 W HN 0.149 nan 8.180 nan 0.000 0.483 571 V N 2.575 122.209 119.914 -0.465 0.000 2.656 571 V HA 0.246 4.366 4.120 -0.000 0.000 0.307 571 V C -0.859 175.007 176.094 -0.380 0.000 1.051 571 V CA -0.814 61.164 62.300 -0.538 0.000 0.893 571 V CB 1.503 33.119 31.823 -0.345 0.000 0.999 571 V HN -0.090 nan 8.190 nan 0.000 0.426 572 D N 4.028 124.202 120.400 -0.376 0.000 2.525 572 D HA 0.076 4.716 4.640 -0.000 0.000 0.235 572 D C 0.293 176.420 176.300 -0.289 0.000 1.137 572 D CA 0.731 54.580 54.000 -0.252 0.000 0.868 572 D CB 0.836 41.574 40.800 -0.103 0.000 1.180 572 D HN 0.619 nan 8.370 nan 0.000 0.465 573 Q N 1.113 120.692 119.800 -0.369 0.000 3.122 573 Q HA 0.128 4.468 4.340 -0.000 0.000 0.360 573 Q C -0.195 175.741 176.000 -0.106 0.000 1.300 573 Q CA -0.322 55.054 55.803 -0.710 0.000 0.982 573 Q CB 0.125 28.562 28.738 -0.501 0.000 1.534 573 Q HN 0.366 nan 8.270 nan 0.000 0.474 574 S N -0.267 115.480 115.700 0.080 0.000 2.578 574 S HA 0.621 5.091 4.470 -0.000 0.000 0.283 574 S C -0.138 174.637 174.600 0.292 0.000 1.195 574 S CA -0.764 57.609 58.200 0.287 0.000 1.050 574 S CB 1.471 64.820 63.200 0.249 0.000 1.012 574 S HN 0.319 nan 8.310 nan 0.000 0.511 575 L N 1.925 123.249 121.223 0.168 0.000 2.330 575 L HA 0.576 4.916 4.340 -0.000 0.000 0.271 575 L C -0.362 176.420 176.870 -0.147 0.000 1.013 575 L CA -1.080 53.734 54.840 -0.043 0.000 0.816 575 L CB 1.556 43.462 42.059 -0.256 0.000 1.287 575 L HN 0.642 nan 8.230 nan 0.000 0.435 576 I N 2.138 122.565 120.570 -0.238 0.000 2.395 576 I HA 0.275 4.445 4.170 -0.000 0.000 0.289 576 I C -0.047 175.674 176.117 -0.661 0.000 1.023 576 I CA -0.216 60.806 61.300 -0.463 0.000 1.350 576 I CB 0.975 38.729 38.000 -0.409 0.000 1.409 576 I HN 0.536 nan 8.210 nan 0.000 0.507 577 K N 4.991 124.701 120.400 -1.150 0.000 2.433 577 K HA 0.614 4.934 4.320 -0.000 0.000 0.252 577 K C -1.706 174.108 176.600 -1.310 0.000 1.015 577 K CA -0.869 54.717 56.287 -1.169 0.000 0.860 577 K CB 2.368 33.950 32.500 -1.530 0.000 1.359 577 K HN 0.254 nan 8.250 nan 0.000 0.452 578 Y N 0.498 120.577 120.300 -0.368 0.000 2.446 578 Y HA 0.176 4.726 4.550 -0.000 0.000 0.345 578 Y C 0.031 176.044 175.900 0.189 0.000 0.984 578 Y CA -1.081 56.981 58.100 -0.064 0.000 1.058 578 Y CB 1.373 39.803 38.460 -0.050 0.000 1.220 578 Y HN 0.697 nan 8.280 nan 0.000 0.455 579 D N -0.539 120.110 120.400 0.414 0.000 2.507 579 D HA 0.199 4.839 4.640 -0.000 0.000 0.280 579 D C 0.639 177.042 176.300 0.171 0.000 1.219 579 D CA -0.366 53.805 54.000 0.285 0.000 1.085 579 D CB 0.574 41.481 40.800 0.179 0.000 1.134 579 D HN 0.591 nan 8.370 nan 0.000 0.583 580 E N -0.655 119.607 120.200 0.102 0.000 2.033 580 E HA -0.182 4.168 4.350 -0.000 0.000 0.199 580 E C 1.152 177.791 176.600 0.066 0.000 1.011 580 E CA 1.125 57.564 56.400 0.066 0.000 0.815 580 E CB -0.339 29.384 29.700 0.037 0.000 0.755 580 E HN 0.387 nan 8.360 nan 0.000 0.451 581 N N 0.421 119.163 118.700 0.069 0.000 2.617 581 N HA -0.059 4.681 4.740 -0.000 0.000 0.198 581 N C 0.856 176.418 175.510 0.087 0.000 1.317 581 N CA 0.970 54.058 53.050 0.064 0.000 0.892 581 N CB 0.267 38.789 38.487 0.059 0.000 1.041 581 N HN 0.367 nan 8.380 nan 0.000 0.450 582 G N 0.968 109.834 108.800 0.110 0.000 2.200 582 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.268 582 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.268 582 G C 0.282 175.330 174.900 0.247 0.000 0.986 582 G CA 0.514 45.698 45.100 0.140 0.000 0.677 582 G HN 0.504 nan 8.290 nan 0.000 0.532 583 N N 1.584 120.411 118.700 0.211 0.000 2.513 583 N HA 0.441 5.181 4.740 -0.000 0.000 0.268 583 N C -1.661 173.971 175.510 0.203 0.000 1.180 583 N CA -1.329 51.839 53.050 0.196 0.000 0.948 583 N CB 1.216 39.791 38.487 0.146 0.000 1.083 583 N HN 0.206 nan 8.380 nan 0.000 0.455 584 P HA 0.277 nan 4.420 nan 0.000 0.282 584 P C -0.930 176.301 177.300 -0.114 0.000 1.249 584 P CA -0.434 62.484 63.100 -0.304 0.000 0.806 584 P CB 0.551 32.033 31.700 -0.364 0.000 0.984 585 W N -0.567 120.491 121.300 -0.403 0.000 3.167 585 W HA 0.410 5.070 4.660 -0.000 0.000 0.324 585 W C -1.456 174.891 176.519 -0.288 0.000 1.230 585 W CA -1.077 56.048 57.345 -0.367 0.000 1.184 585 W CB 0.388 29.403 29.460 -0.742 0.000 1.414 585 W HN 0.124 nan 8.180 nan 0.000 0.551 586 S N 1.621 117.387 115.700 0.110 0.000 2.481 586 S HA 0.557 5.027 4.470 -0.000 0.000 0.276 586 S C 0.194 174.956 174.600 0.270 0.000 1.247 586 S CA -0.182 58.081 58.200 0.104 0.000 1.053 586 S CB 0.744 64.067 63.200 0.206 0.000 0.925 586 S HN 0.601 nan 8.310 nan 0.000 0.491 587 A N 3.063 125.895 122.820 0.021 0.000 2.330 587 A HA 0.897 5.217 4.320 -0.000 0.000 0.329 587 A C -0.722 177.108 177.584 0.410 0.000 1.135 587 A CA -0.756 51.351 52.037 0.117 0.000 0.817 587 A CB 0.728 19.468 19.000 -0.432 0.000 1.269 587 A HN 0.834 nan 8.150 nan 0.000 0.469 588 Y N -0.942 119.682 120.300 0.539 0.000 2.944 588 Y HA 0.764 5.314 4.550 -0.000 0.000 0.312 588 Y C 0.677 176.936 175.900 0.598 0.000 1.417 588 Y CA -1.429 56.990 58.100 0.533 0.000 1.105 588 Y CB -0.103 38.495 38.460 0.229 0.000 1.364 588 Y HN 0.949 nan 8.280 nan 0.000 0.540 589 G N -0.036 109.150 108.800 0.643 0.000 2.187 589 G HA2 0.354 4.314 3.960 -0.000 0.000 0.239 589 G HA3 0.354 4.314 3.960 -0.000 0.000 0.239 589 G C 0.980 176.207 174.900 0.545 0.000 1.200 589 G CA 0.564 45.974 45.100 0.516 0.000 0.888 589 G HN 1.996 nan 8.290 nan 0.000 0.482 590 G N 2.232 111.315 108.800 0.473 0.000 2.241 590 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.244 590 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.244 590 G C 0.913 176.012 174.900 0.331 0.000 0.998 590 G CA 0.665 45.982 45.100 0.362 0.000 0.621 590 G HN 0.651 nan 8.290 nan 0.000 0.519 591 D N -0.172 120.440 120.400 0.353 0.000 2.378 591 D HA 0.139 4.779 4.640 -0.000 0.000 0.227 591 D C 1.213 177.430 176.300 -0.139 0.000 1.012 591 D CA 0.529 54.591 54.000 0.103 0.000 0.905 591 D CB -0.187 40.621 40.800 0.012 0.000 0.895 591 D HN 0.484 nan 8.370 nan 0.000 0.532 592 F N -0.940 119.142 119.950 0.221 0.000 2.683 592 F HA 0.303 4.830 4.527 -0.000 0.000 0.306 592 F C 1.809 177.698 175.800 0.149 0.000 1.102 592 F CA -0.184 57.906 58.000 0.150 0.000 1.244 592 F CB 0.846 39.930 39.000 0.141 0.000 1.029 592 F HN -0.043 nan 8.300 nan 0.000 0.545 593 G N 0.307 109.272 108.800 0.274 0.000 2.205 593 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.261 593 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.261 593 G C -0.079 174.959 174.900 0.230 0.000 0.980 593 G CA 0.170 45.395 45.100 0.209 0.000 0.632 593 G HN 0.423 nan 8.290 nan 0.000 0.533 594 D N 0.641 121.229 120.400 0.313 0.000 2.434 594 D HA 0.445 5.085 4.640 -0.000 0.000 0.252 594 D C 0.048 176.470 176.300 0.203 0.000 1.185 594 D CA 1.163 55.331 54.000 0.280 0.000 0.886 594 D CB 1.387 42.410 40.800 0.371 0.000 1.148 594 D HN 0.311 nan 8.370 nan 0.000 0.483 595 T N 1.710 116.351 114.554 0.146 0.000 3.097 595 T HA 0.390 4.740 4.350 -0.000 0.000 0.332 595 T C -2.690 172.044 174.700 0.058 0.000 1.269 595 T CA -1.120 61.036 62.100 0.093 0.000 1.076 595 T CB 1.428 70.351 68.868 0.091 0.000 1.209 595 T HN 0.412 nan 8.240 nan 0.000 0.474 596 P HA 0.463 nan 4.420 nan 0.000 0.274 596 P C -1.065 176.216 177.300 -0.031 0.000 1.246 596 P CA -0.391 62.703 63.100 -0.010 0.000 0.795 596 P CB 0.627 32.298 31.700 -0.048 0.000 1.006 597 N N -1.541 117.135 118.700 -0.040 0.000 2.647 597 N HA 0.262 5.002 4.740 -0.000 0.000 0.266 597 N C -0.977 174.452 175.510 -0.135 0.000 1.373 597 N CA -0.784 52.216 53.050 -0.084 0.000 0.807 597 N CB 0.814 39.346 38.487 0.076 0.000 1.513 597 N HN 0.120 nan 8.380 nan 0.000 0.505 598 D N -0.135 120.121 120.400 -0.240 0.000 2.755 598 D HA 0.130 4.770 4.640 -0.000 0.000 0.257 598 D C 0.489 176.923 176.300 0.224 0.000 1.291 598 D CA -0.195 53.709 54.000 -0.159 0.000 0.836 598 D CB 0.153 40.688 40.800 -0.442 0.000 1.059 598 D HN 0.691 nan 8.370 nan 0.000 0.486 599 R N 0.887 121.546 120.500 0.264 0.000 3.517 599 R HA -0.326 4.014 4.340 -0.000 0.000 0.577 599 R C 1.144 177.508 176.300 0.106 0.000 0.241 599 R CA 1.510 57.794 56.100 0.308 0.000 1.784 599 R CB -1.615 28.782 30.300 0.161 0.000 0.850 599 R HN 0.177 nan 8.270 nan 0.000 0.625 600 Q N 1.680 121.246 119.800 -0.391 0.000 2.482 600 Q HA 0.020 4.360 4.340 -0.000 0.000 0.209 600 Q C 1.575 177.392 176.000 -0.305 0.000 0.961 600 Q CA 1.182 56.571 55.803 -0.690 0.000 0.945 600 Q CB -0.104 27.991 28.738 -1.071 0.000 1.012 600 Q HN 0.601 nan 8.270 nan 0.000 0.515 601 F N 1.393 121.261 119.950 -0.137 0.000 2.722 601 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 601 F C 1.879 177.646 175.800 -0.054 0.000 1.175 601 F CA 0.714 58.721 58.000 0.011 0.000 1.462 601 F CB -0.073 39.004 39.000 0.129 0.000 1.111 601 F HN 0.420 nan 8.300 nan 0.000 0.592 602 C N -1.452 117.611 119.300 -0.394 0.000 2.697 602 C HA 0.329 4.789 4.460 -0.000 0.000 0.267 602 C C 0.832 175.634 174.990 -0.313 0.000 1.278 602 C CA -0.529 58.078 59.018 -0.686 0.000 1.708 602 C CB -1.689 25.097 27.740 -1.590 0.000 1.860 602 C HN 0.155 nan 8.230 nan 0.000 0.589 603 M N 3.139 122.613 119.600 -0.210 0.000 2.027 603 M HA 0.355 4.835 4.480 -0.000 0.000 0.329 603 M C -0.560 175.651 176.300 -0.149 0.000 0.971 603 M CA 0.223 55.431 55.300 -0.153 0.000 0.933 603 M CB 0.609 33.158 32.600 -0.085 0.000 1.392 603 M HN 0.248 nan 8.290 nan 0.000 0.394 604 N N 1.467 120.060 118.700 -0.178 0.000 2.232 604 N HA 0.160 4.900 4.740 -0.000 0.000 0.240 604 N C 0.231 175.542 175.510 -0.332 0.000 1.307 604 N CA -0.119 52.785 53.050 -0.243 0.000 0.859 604 N CB 1.361 39.709 38.487 -0.232 0.000 1.260 604 N HN 0.694 nan 8.380 nan 0.000 0.501 605 G N 0.157 108.730 108.800 -0.379 0.000 2.528 605 G HA2 0.453 4.413 3.960 -0.000 0.000 0.289 605 G HA3 0.453 4.413 3.960 -0.000 0.000 0.289 605 G C 0.924 175.427 174.900 -0.662 0.000 1.192 605 G CA -0.513 44.265 45.100 -0.536 0.000 0.921 605 G HN 0.092 nan 8.290 nan 0.000 0.512 606 L N -0.318 120.485 121.223 -0.701 0.000 2.418 606 L HA 0.142 4.482 4.340 -0.000 0.000 0.218 606 L C 0.783 177.073 176.870 -0.966 0.000 1.125 606 L CA 0.280 54.733 54.840 -0.645 0.000 0.835 606 L CB -0.281 41.516 42.059 -0.437 0.000 0.953 606 L HN 0.380 nan 8.230 nan 0.000 0.454 607 V N -5.178 113.996 119.914 -1.234 0.000 3.040 607 V HA 0.489 4.609 4.120 -0.000 0.000 0.312 607 V C -0.270 175.226 176.094 -0.996 0.000 1.115 607 V CA -1.268 60.390 62.300 -1.070 0.000 0.998 607 V CB 1.629 32.912 31.823 -0.901 0.000 1.042 607 V HN -0.140 nan 8.190 nan 0.000 0.433 608 F N 1.472 121.157 119.950 -0.442 0.000 2.435 608 F HA 0.582 5.109 4.527 -0.000 0.000 0.316 608 F C 1.975 177.657 175.800 -0.196 0.000 1.220 608 F CA 0.552 58.453 58.000 -0.166 0.000 1.241 608 F CB 0.747 39.739 39.000 -0.013 0.000 1.234 608 F HN 0.783 nan 8.300 nan 0.000 0.569 609 A N 0.683 123.567 122.820 0.107 0.000 1.986 609 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 609 A C 1.592 179.149 177.584 -0.046 0.000 1.171 609 A CA 1.959 54.018 52.037 0.037 0.000 0.640 609 A CB -1.016 18.047 19.000 0.105 0.000 0.811 609 A HN 0.788 nan 8.150 nan 0.000 0.451 610 D N -2.832 117.557 120.400 -0.018 0.000 2.325 610 D HA 0.147 4.787 4.640 -0.000 0.000 0.234 610 D C 0.590 176.868 176.300 -0.036 0.000 1.122 610 D CA -0.086 53.873 54.000 -0.068 0.000 0.850 610 D CB -0.163 40.601 40.800 -0.059 0.000 0.921 610 D HN 0.180 nan 8.370 nan 0.000 0.513 611 R N -1.632 118.843 120.500 -0.042 0.000 3.963 611 R HA -0.131 4.209 4.340 -0.000 0.000 0.394 611 R C -0.347 175.942 176.300 -0.018 0.000 1.131 611 R CA 1.047 57.112 56.100 -0.058 0.000 1.059 611 R CB -3.245 27.063 30.300 0.013 0.000 1.614 611 R HN 0.261 nan 8.270 nan 0.000 0.546 612 T N 2.189 116.783 114.554 0.067 0.000 2.901 612 T HA 0.348 4.698 4.350 -0.000 0.000 0.301 612 T C -2.302 172.507 174.700 0.182 0.000 1.012 612 T CA -0.890 61.287 62.100 0.128 0.000 1.135 612 T CB 1.086 70.025 68.868 0.118 0.000 0.936 612 T HN -0.088 nan 8.240 nan 0.000 0.539 613 P HA 0.149 nan 4.420 nan 0.000 0.271 613 P C -0.185 177.166 177.300 0.085 0.000 1.218 613 P CA -0.139 62.956 63.100 -0.010 0.000 0.780 613 P CB 0.395 32.101 31.700 0.009 0.000 0.901 614 H N 2.840 121.748 119.070 -0.269 0.000 2.488 614 H HA 0.132 4.688 4.556 -0.000 0.000 0.347 614 H C -1.328 173.899 175.328 -0.168 0.000 1.174 614 H CA -1.998 53.851 56.048 -0.332 0.000 1.307 614 H CB 0.691 30.201 29.762 -0.421 0.000 1.517 614 H HN 0.344 nan 8.280 nan 0.000 0.554 615 P HA -0.188 nan 4.420 nan 0.000 0.216 615 P C 1.137 178.432 177.300 -0.008 0.000 1.150 615 P CA 1.591 64.675 63.100 -0.026 0.000 0.837 615 P CB 0.074 31.755 31.700 -0.032 0.000 0.786 616 A N -0.650 122.167 122.820 -0.004 0.000 2.024 616 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 616 A C 2.066 179.599 177.584 -0.084 0.000 1.164 616 A CA 1.330 53.333 52.037 -0.057 0.000 0.643 616 A CB -1.608 17.341 19.000 -0.085 0.000 0.806 616 A HN 0.165 nan 8.150 nan 0.000 0.451 617 L N -0.530 120.662 121.223 -0.050 0.000 2.079 617 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 617 L C 2.534 179.438 176.870 0.057 0.000 1.081 617 L CA 2.765 57.606 54.840 0.001 0.000 0.752 617 L CB -1.054 41.005 42.059 0.001 0.000 0.896 617 L HN 0.394 nan 8.230 nan 0.000 0.433 618 T N -1.720 112.874 114.554 0.067 0.000 2.867 618 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 618 T C 1.809 176.608 174.700 0.166 0.000 1.057 618 T CA 1.431 63.623 62.100 0.152 0.000 1.136 618 T CB -0.118 68.820 68.868 0.117 0.000 0.874 618 T HN 0.496 nan 8.240 nan 0.000 0.466 619 E N 0.753 120.992 120.200 0.066 0.000 2.072 619 E HA 0.069 4.419 4.350 -0.000 0.000 0.191 619 E C 2.178 178.785 176.600 0.012 0.000 0.985 619 E CA 1.363 57.806 56.400 0.073 0.000 0.801 619 E CB -0.616 29.095 29.700 0.019 0.000 0.750 619 E HN 0.531 nan 8.360 nan 0.000 0.452 620 A N 0.977 123.685 122.820 -0.186 0.000 1.898 620 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 620 A C 2.163 179.615 177.584 -0.221 0.000 1.181 620 A CA 1.811 53.677 52.037 -0.284 0.000 0.620 620 A CB -0.595 18.203 19.000 -0.336 0.000 0.819 620 A HN 0.259 nan 8.150 nan 0.000 0.442 621 K N -1.231 119.109 120.400 -0.100 0.000 2.057 621 K HA -0.270 4.050 4.320 -0.000 0.000 0.207 621 K C 2.054 178.538 176.600 -0.195 0.000 1.049 621 K CA 1.886 58.121 56.287 -0.088 0.000 0.931 621 K CB -0.336 32.262 32.500 0.164 0.000 0.714 621 K HN 0.624 nan 8.250 nan 0.000 0.440 622 H N 0.579 119.466 119.070 -0.305 0.000 2.293 622 H HA -0.041 4.515 4.556 -0.000 0.000 0.300 622 H C 1.948 177.002 175.328 -0.457 0.000 1.082 622 H CA 1.876 57.564 56.048 -0.599 0.000 1.308 622 H CB 0.030 29.503 29.762 -0.483 0.000 1.375 622 H HN 0.215 nan 8.280 nan 0.000 0.495 623 Q N 0.217 119.782 119.800 -0.392 0.000 2.291 623 Q HA -0.085 4.255 4.340 -0.000 0.000 0.205 623 Q C 1.518 176.987 176.000 -0.885 0.000 0.970 623 Q CA 1.123 56.613 55.803 -0.522 0.000 0.876 623 Q CB 0.036 28.619 28.738 -0.257 0.000 0.935 623 Q HN 0.704 nan 8.270 nan 0.000 0.455 624 Q N 0.080 119.326 119.800 -0.922 0.000 2.280 624 Q HA 0.082 4.422 4.340 -0.000 0.000 0.202 624 Q C -0.166 175.267 176.000 -0.945 0.000 0.903 624 Q CA -0.219 54.888 55.803 -1.161 0.000 0.948 624 Q CB 0.381 28.468 28.738 -1.086 0.000 1.058 624 Q HN 0.382 nan 8.270 nan 0.000 0.493 625 Q N -0.426 118.967 119.800 -0.678 0.000 2.386 625 Q HA -0.045 4.294 4.340 -0.000 0.000 0.282 625 Q C -0.117 175.506 176.000 -0.627 0.000 1.050 625 Q CA 0.419 55.942 55.803 -0.465 0.000 0.918 625 Q CB 0.450 29.020 28.738 -0.280 0.000 1.266 625 Q HN 0.303 nan 8.270 nan 0.000 0.423 626 F N 0.357 120.064 119.950 -0.405 0.000 2.727 626 F HA 0.212 4.739 4.527 -0.000 0.000 0.302 626 F C -0.104 175.163 175.800 -0.889 0.000 1.097 626 F CA 0.006 57.536 58.000 -0.783 0.000 1.330 626 F CB 0.521 38.716 39.000 -1.341 0.000 1.084 626 F HN 0.316 nan 8.300 nan 0.000 0.578 627 F N 0.341 120.202 119.950 -0.149 0.000 2.507 627 F HA 0.477 5.004 4.527 -0.000 0.000 0.325 627 F C -0.049 175.406 175.800 -0.575 0.000 1.116 627 F CA -1.102 56.709 58.000 -0.316 0.000 0.930 627 F CB 1.288 40.133 39.000 -0.258 0.000 1.146 627 F HN -0.327 nan 8.300 nan 0.000 0.447 628 Q N 2.940 122.479 119.800 -0.436 0.000 2.301 628 Q HA 0.591 4.931 4.340 -0.000 0.000 0.267 628 Q C -1.306 174.374 176.000 -0.534 0.000 1.035 628 Q CA -0.653 54.929 55.803 -0.369 0.000 0.856 628 Q CB 2.784 31.436 28.738 -0.142 0.000 1.337 628 Q HN 0.525 nan 8.270 nan 0.000 0.450 629 F N 0.054 120.127 119.950 0.206 0.000 2.588 629 F HA 0.626 5.153 4.527 0.000 0.000 0.314 629 F C 0.330 176.375 175.800 0.408 0.000 1.069 629 F CA -0.898 57.306 58.000 0.340 0.000 0.931 629 F CB 1.885 41.218 39.000 0.555 0.000 1.260 629 F HN 0.115 nan 8.300 nan 0.000 0.465 630 R N 1.459 122.272 120.500 0.521 0.000 2.698 630 R HA 0.696 5.036 4.340 -0.000 0.000 0.275 630 R C -2.116 174.219 176.300 0.058 0.000 1.001 630 R CA -1.182 55.125 56.100 0.345 0.000 0.896 630 R CB 3.112 33.520 30.300 0.181 0.000 1.218 630 R HN 0.605 nan 8.270 nan 0.000 0.462 631 L N 0.635 121.777 121.223 -0.134 0.000 2.362 631 L HA 0.527 4.867 4.340 -0.000 0.000 0.275 631 L C -0.989 175.741 176.870 -0.234 0.000 0.998 631 L CA -0.016 54.550 54.840 -0.456 0.000 0.820 631 L CB 2.139 43.507 42.059 -1.151 0.000 1.270 631 L HN 0.593 nan 8.230 nan 0.000 0.415 632 S N 3.891 119.472 115.700 -0.197 0.000 2.721 632 S HA 0.687 5.157 4.470 -0.000 0.000 0.264 632 S C 0.280 174.800 174.600 -0.134 0.000 1.161 632 S CA 0.283 58.408 58.200 -0.125 0.000 1.113 632 S CB 0.133 63.288 63.200 -0.075 0.000 1.079 632 S HN 1.593 nan 8.310 nan 0.000 0.479 633 G N 4.555 113.275 108.800 -0.133 0.000 2.557 633 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.292 633 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.292 633 G C 0.304 175.108 174.900 -0.160 0.000 1.162 633 G CA 0.482 45.508 45.100 -0.123 0.000 0.964 633 G HN 0.641 nan 8.290 nan 0.000 0.541 634 Q N 1.371 121.080 119.800 -0.151 0.000 2.247 634 Q HA 0.240 4.580 4.340 -0.000 0.000 0.204 634 Q C 0.359 176.236 176.000 -0.205 0.000 0.872 634 Q CA 0.730 56.422 55.803 -0.185 0.000 0.951 634 Q CB 0.769 29.415 28.738 -0.153 0.000 1.099 634 Q HN 0.527 nan 8.270 nan 0.000 0.501 635 T N 1.316 115.760 114.554 -0.183 0.000 2.771 635 T HA 0.549 4.898 4.350 -0.000 0.000 0.281 635 T C 0.201 174.789 174.700 -0.187 0.000 0.982 635 T CA -0.296 61.708 62.100 -0.160 0.000 0.978 635 T CB 1.276 70.082 68.868 -0.104 0.000 0.930 635 T HN 0.011 nan 8.240 nan 0.000 0.447 636 I N 2.748 123.223 120.570 -0.159 0.000 2.339 636 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 636 I C 0.450 176.573 176.117 0.009 0.000 0.994 636 I CA -0.643 60.584 61.300 -0.122 0.000 1.191 636 I CB 1.460 39.401 38.000 -0.098 0.000 1.343 636 I HN 0.576 nan 8.210 nan 0.000 0.458 637 E N 6.725 126.960 120.200 0.058 0.000 2.134 637 E HA 0.408 4.758 4.350 -0.000 0.000 0.278 637 E C -1.495 175.192 176.600 0.146 0.000 0.959 637 E CA -0.570 55.880 56.400 0.083 0.000 0.783 637 E CB 1.537 31.273 29.700 0.059 0.000 1.095 637 E HN 0.343 nan 8.360 nan 0.000 0.399 638 V N 4.373 124.355 119.914 0.114 0.000 2.370 638 V HA 0.303 4.423 4.120 -0.000 0.000 0.283 638 V C -0.010 176.100 176.094 0.026 0.000 1.023 638 V CA -0.570 61.763 62.300 0.054 0.000 0.857 638 V CB 1.663 33.545 31.823 0.099 0.000 0.985 638 V HN 0.699 nan 8.190 nan 0.000 0.443 639 T N 3.331 117.863 114.554 -0.036 0.000 2.823 639 T HA 0.375 4.725 4.350 -0.000 0.000 0.279 639 T C -0.047 174.666 174.700 0.022 0.000 0.998 639 T CA -0.274 61.825 62.100 -0.001 0.000 0.994 639 T CB 1.612 70.461 68.868 -0.032 0.000 0.960 639 T HN 0.679 nan 8.240 nan 0.000 0.448 640 S N 1.604 117.331 115.700 0.045 0.000 2.525 640 S HA 0.253 4.723 4.470 -0.000 0.000 0.278 640 S C 0.662 175.159 174.600 -0.172 0.000 1.234 640 S CA -0.573 57.602 58.200 -0.042 0.000 1.058 640 S CB 0.632 63.883 63.200 0.085 0.000 0.983 640 S HN 0.726 nan 8.310 nan 0.000 0.495 641 E N 2.811 122.808 120.200 -0.339 0.000 2.501 641 E HA 0.107 4.457 4.350 -0.000 0.000 0.201 641 E C -0.783 175.646 176.600 -0.285 0.000 1.016 641 E CA -0.117 56.112 56.400 -0.284 0.000 0.920 641 E CB 0.362 29.877 29.700 -0.308 0.000 1.023 641 E HN 0.687 nan 8.360 nan 0.000 0.474 642 Y N 0.356 120.529 120.300 -0.211 0.000 2.379 642 Y HA 0.027 4.577 4.550 -0.000 0.000 0.337 642 Y C 1.452 177.170 175.900 -0.303 0.000 1.238 642 Y CA 0.026 57.984 58.100 -0.235 0.000 1.405 642 Y CB 0.835 39.135 38.460 -0.267 0.000 1.310 642 Y HN -0.044 nan 8.280 nan 0.000 0.569 643 L N 0.904 121.940 121.223 -0.312 0.000 2.470 643 L HA 0.073 4.413 4.340 -0.000 0.000 0.219 643 L C 0.685 177.106 176.870 -0.749 0.000 1.071 643 L CA 0.561 54.980 54.840 -0.702 0.000 0.850 643 L CB 0.057 41.379 42.059 -1.229 0.000 1.040 643 L HN 0.640 nan 8.230 nan 0.000 0.475 644 F N -0.397 119.553 119.950 0.001 0.000 2.667 644 F HA 0.214 4.741 4.527 -0.000 0.000 0.288 644 F C 1.286 177.063 175.800 -0.037 0.000 1.086 644 F CA -0.804 57.176 58.000 -0.033 0.000 1.297 644 F CB 0.256 39.221 39.000 -0.059 0.000 1.059 644 F HN -0.144 nan 8.300 nan 0.000 0.624 645 R N 0.416 120.945 120.500 0.050 0.000 2.536 645 R HA 0.381 4.721 4.340 -0.000 0.000 0.279 645 R C -0.600 175.672 176.300 -0.047 0.000 1.001 645 R CA -0.572 55.509 56.100 -0.031 0.000 1.027 645 R CB 0.699 30.876 30.300 -0.206 0.000 1.096 645 R HN 0.097 nan 8.270 nan 0.000 0.502 646 H N 0.366 119.418 119.070 -0.030 0.000 2.495 646 H HA 0.085 4.641 4.556 -0.000 0.000 0.350 646 H C 0.081 175.427 175.328 0.029 0.000 1.202 646 H CA 0.000 56.065 56.048 0.028 0.000 1.322 646 H CB 1.797 31.581 29.762 0.035 0.000 1.544 646 H HN 0.776 nan 8.280 nan 0.000 0.565 647 S N 0.828 116.668 115.700 0.233 0.000 4.183 647 S HA -0.039 4.431 4.470 -0.000 0.000 0.195 647 S C 0.221 174.917 174.600 0.160 0.000 1.421 647 S CA -0.652 57.694 58.200 0.244 0.000 0.920 647 S CB -0.880 62.500 63.200 0.300 0.000 1.525 647 S HN 0.556 nan 8.310 nan 0.000 0.447 648 D N 0.547 121.015 120.400 0.114 0.000 2.336 648 D HA 0.080 4.720 4.640 -0.000 0.000 0.228 648 D C 0.369 176.701 176.300 0.053 0.000 1.120 648 D CA -0.235 53.810 54.000 0.074 0.000 0.839 648 D CB -0.286 40.543 40.800 0.048 0.000 0.932 648 D HN 0.507 nan 8.370 nan 0.000 0.509 649 N N -0.162 118.579 118.700 0.068 0.000 2.581 649 N HA 0.128 4.868 4.740 -0.000 0.000 0.274 649 N C -1.594 173.965 175.510 0.083 0.000 1.629 649 N CA -0.203 52.881 53.050 0.057 0.000 0.884 649 N CB 0.350 38.860 38.487 0.039 0.000 1.423 649 N HN -0.062 nan 8.380 nan 0.000 0.507 650 E N -0.069 120.174 120.200 0.071 0.000 2.314 650 E HA 0.575 4.925 4.350 -0.000 0.000 0.272 650 E C -1.771 174.838 176.600 0.015 0.000 0.884 650 E CA -0.706 55.720 56.400 0.043 0.000 0.753 650 E CB 2.465 32.167 29.700 0.003 0.000 1.213 650 E HN 0.192 nan 8.360 nan 0.000 0.432 651 L N 2.809 124.028 121.223 -0.007 0.000 2.436 651 L HA 0.575 4.915 4.340 -0.000 0.000 0.268 651 L C -2.024 174.852 176.870 0.009 0.000 0.974 651 L CA -0.807 54.047 54.840 0.024 0.000 0.826 651 L CB 1.663 43.748 42.059 0.044 0.000 1.291 651 L HN 0.582 nan 8.230 nan 0.000 0.406 652 L N 5.045 126.341 121.223 0.120 0.000 2.264 652 L HA 0.493 4.832 4.340 -0.000 0.000 0.289 652 L C -0.731 176.355 176.870 0.360 0.000 1.044 652 L CA 0.250 55.202 54.840 0.187 0.000 0.807 652 L CB 0.566 42.755 42.059 0.217 0.000 1.192 652 L HN 0.660 nan 8.230 nan 0.000 0.425 653 H N 5.409 124.561 119.070 0.136 0.000 2.457 653 H HA 0.427 4.983 4.556 -0.000 0.000 0.335 653 H C -1.179 174.247 175.328 0.163 0.000 1.115 653 H CA -0.797 55.294 56.048 0.073 0.000 1.219 653 H CB 1.124 30.888 29.762 0.003 0.000 1.471 653 H HN 0.677 nan 8.280 nan 0.000 0.491 654 W N 3.463 124.851 121.300 0.146 0.000 2.844 654 W HA 0.568 5.228 4.660 -0.000 0.000 0.340 654 W C -1.881 174.682 176.519 0.075 0.000 1.093 654 W CA -1.265 56.147 57.345 0.111 0.000 1.212 654 W CB 1.453 30.967 29.460 0.089 0.000 1.422 654 W HN 0.424 nan 8.180 nan 0.000 0.515 655 M N 3.390 123.173 119.600 0.305 0.000 2.378 655 M HA 0.579 5.059 4.480 -0.000 0.000 0.289 655 M C -2.423 174.058 176.300 0.302 0.000 1.136 655 M CA -0.597 54.779 55.300 0.127 0.000 0.917 655 M CB 2.073 34.680 32.600 0.012 0.000 1.669 655 M HN 0.219 nan 8.290 nan 0.000 0.461 656 V N 3.966 124.047 119.914 0.278 0.000 2.495 656 V HA 1.014 5.134 4.120 -0.000 0.000 0.298 656 V C -0.481 175.717 176.094 0.173 0.000 1.031 656 V CA -0.263 62.200 62.300 0.273 0.000 0.871 656 V CB 1.253 33.256 31.823 0.300 0.000 0.988 656 V HN 1.050 nan 8.190 nan 0.000 0.432 657 A N 4.462 127.397 122.820 0.190 0.000 2.486 657 A HA 0.844 5.164 4.320 -0.000 0.000 0.300 657 A C -1.521 176.178 177.584 0.193 0.000 1.048 657 A CA -0.598 51.521 52.037 0.137 0.000 0.696 657 A CB 1.699 20.739 19.000 0.066 0.000 1.278 657 A HN 0.815 nan 8.150 nan 0.000 0.405 658 L N 1.894 123.199 121.223 0.137 0.000 2.262 658 L HA 0.470 4.810 4.340 -0.000 0.000 0.288 658 L C -0.398 176.563 176.870 0.153 0.000 1.035 658 L CA 0.286 55.220 54.840 0.156 0.000 0.820 658 L CB 0.044 42.162 42.059 0.099 0.000 1.204 658 L HN 0.752 nan 8.230 nan 0.000 0.424 659 D N 4.931 125.488 120.400 0.260 0.000 2.704 659 D HA -0.225 4.415 4.640 -0.000 0.000 0.232 659 D C 1.169 177.492 176.300 0.037 0.000 1.183 659 D CA 1.327 55.471 54.000 0.240 0.000 0.647 659 D CB -0.938 39.974 40.800 0.187 0.000 1.013 659 D HN 1.167 nan 8.370 nan 0.000 0.415 660 G N -0.419 108.357 108.800 -0.040 0.000 2.253 660 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.251 660 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.251 660 G C 0.320 175.129 174.900 -0.153 0.000 0.998 660 G CA 0.548 45.518 45.100 -0.216 0.000 0.621 660 G HN 0.476 nan 8.290 nan 0.000 0.524 661 K N 2.747 123.109 120.400 -0.063 0.000 2.284 661 K HA 0.415 4.735 4.320 -0.000 0.000 0.287 661 K C -2.240 174.345 176.600 -0.026 0.000 1.081 661 K CA -1.576 54.681 56.287 -0.050 0.000 0.910 661 K CB 1.490 33.979 32.500 -0.019 0.000 1.088 661 K HN 0.203 nan 8.250 nan 0.000 0.478 662 P HA -0.047 nan 4.420 nan 0.000 0.268 662 P C -0.380 176.915 177.300 -0.008 0.000 1.205 662 P CA -0.099 62.981 63.100 -0.032 0.000 0.771 662 P CB 0.948 32.606 31.700 -0.071 0.000 0.858 663 L N 1.885 123.121 121.223 0.022 0.000 2.766 663 L HA 0.482 4.822 4.340 -0.000 0.000 0.241 663 L C 0.809 177.704 176.870 0.042 0.000 1.080 663 L CA 0.642 55.504 54.840 0.036 0.000 0.909 663 L CB -0.152 41.946 42.059 0.065 0.000 1.277 663 L HN 0.557 nan 8.230 nan 0.000 0.510 664 A N -1.271 121.577 122.820 0.046 0.000 2.594 664 A HA 0.739 5.059 4.320 -0.000 0.000 0.296 664 A C -0.890 176.589 177.584 -0.176 0.000 1.056 664 A CA 0.163 52.217 52.037 0.027 0.000 0.693 664 A CB 1.134 20.271 19.000 0.229 0.000 1.278 664 A HN 0.036 nan 8.150 nan 0.000 0.408 665 S N -0.003 115.354 115.700 -0.572 0.000 2.596 665 S HA 0.981 5.451 4.470 -0.000 0.000 0.270 665 S C -0.247 173.453 174.600 -1.499 0.000 1.155 665 S CA -0.098 57.422 58.200 -1.134 0.000 0.827 665 S CB 1.374 64.227 63.200 -0.577 0.000 1.130 665 S HN 2.593 nan 8.310 nan 0.000 0.467 666 G N 0.142 107.781 108.800 -1.935 0.000 2.559 666 G HA2 0.637 4.597 3.960 -0.000 0.000 0.291 666 G HA3 0.637 4.597 3.960 -0.000 0.000 0.291 666 G C -2.183 172.317 174.900 -0.667 0.000 1.424 666 G CA -0.730 43.735 45.100 -1.059 0.000 0.786 666 G HN 1.078 nan 8.290 nan 0.000 0.485 667 E N -1.405 118.714 120.200 -0.135 0.000 2.314 667 E HA 0.718 5.068 4.350 -0.000 0.000 0.272 667 E C -1.549 175.180 176.600 0.214 0.000 0.884 667 E CA -1.064 55.383 56.400 0.079 0.000 0.753 667 E CB 2.881 32.561 29.700 -0.034 0.000 1.213 667 E HN 0.409 nan 8.360 nan 0.000 0.432 668 V N 2.272 122.342 119.914 0.261 0.000 2.686 668 V HA 0.387 4.507 4.120 -0.000 0.000 0.306 668 V C -2.487 173.700 176.094 0.155 0.000 1.065 668 V CA -2.116 60.302 62.300 0.198 0.000 0.894 668 V CB 1.981 33.925 31.823 0.202 0.000 1.004 668 V HN 0.691 nan 8.190 nan 0.000 0.424 669 P HA 0.233 nan 4.420 nan 0.000 0.268 669 P C -0.661 176.686 177.300 0.079 0.000 1.204 669 P CA 0.005 63.159 63.100 0.090 0.000 0.768 669 P CB 0.522 32.267 31.700 0.075 0.000 0.842 670 L N 3.527 124.785 121.223 0.058 0.000 2.276 670 L HA 0.315 4.655 4.340 -0.000 0.000 0.286 670 L C 0.355 177.268 176.870 0.072 0.000 1.061 670 L CA 0.158 55.022 54.840 0.039 0.000 0.807 670 L CB 0.870 42.896 42.059 -0.056 0.000 1.177 670 L HN 0.368 nan 8.230 nan 0.000 0.429 671 D N 3.419 123.877 120.400 0.095 0.000 2.552 671 D HA 0.252 4.892 4.640 -0.000 0.000 0.285 671 D C -1.376 175.022 176.300 0.163 0.000 1.206 671 D CA -0.120 53.962 54.000 0.137 0.000 0.826 671 D CB 1.191 42.057 40.800 0.110 0.000 1.179 671 D HN 0.096 nan 8.370 nan 0.000 0.508 672 V N 1.727 121.747 119.914 0.178 0.000 2.555 672 V HA 0.870 4.990 4.120 -0.000 0.000 0.302 672 V C -0.019 176.078 176.094 0.006 0.000 1.038 672 V CA -0.488 61.893 62.300 0.134 0.000 0.887 672 V CB 1.389 33.313 31.823 0.169 0.000 0.991 672 V HN 0.531 nan 8.190 nan 0.000 0.434 673 A N 8.765 131.489 122.820 -0.160 0.000 2.332 673 A HA 0.693 5.013 4.320 -0.000 0.000 0.258 673 A C -2.399 175.000 177.584 -0.307 0.000 1.087 673 A CA -1.404 50.257 52.037 -0.628 0.000 0.802 673 A CB -0.004 18.801 19.000 -0.325 0.000 1.042 673 A HN 0.762 nan 8.150 nan 0.000 0.489 674 P HA -0.022 nan 4.420 nan 0.000 0.262 674 P C -0.510 176.727 177.300 -0.105 0.000 1.182 674 P CA 0.657 63.677 63.100 -0.134 0.000 0.761 674 P CB 0.425 32.053 31.700 -0.121 0.000 0.795 675 Q N -0.818 118.931 119.800 -0.085 0.000 2.439 675 Q HA -0.190 4.150 4.340 -0.000 0.000 0.247 675 Q C 0.799 176.770 176.000 -0.048 0.000 0.899 675 Q CA 1.292 57.049 55.803 -0.077 0.000 1.201 675 Q CB -2.166 26.520 28.738 -0.087 0.000 1.608 675 Q HN 0.795 nan 8.270 nan 0.000 0.563 676 G N 0.220 108.998 108.800 -0.036 0.000 2.557 676 G HA2 0.604 4.564 3.960 -0.000 0.000 0.302 676 G HA3 0.604 4.564 3.960 -0.000 0.000 0.302 676 G C -0.425 174.485 174.900 0.017 0.000 1.311 676 G CA -0.584 44.509 45.100 -0.012 0.000 1.030 676 G HN -0.009 nan 8.290 nan 0.000 0.509 677 K N -0.722 119.695 120.400 0.028 0.000 2.443 677 K HA 0.495 4.815 4.320 -0.000 0.000 0.251 677 K C -1.060 175.571 176.600 0.052 0.000 0.972 677 K CA -0.643 55.667 56.287 0.040 0.000 0.833 677 K CB 2.641 35.157 32.500 0.027 0.000 1.317 677 K HN 0.509 nan 8.250 nan 0.000 0.441 678 Q N 2.373 122.208 119.800 0.059 0.000 2.289 678 Q HA 0.394 4.734 4.340 -0.000 0.000 0.270 678 Q C -1.705 174.326 176.000 0.053 0.000 1.038 678 Q CA -0.645 55.194 55.803 0.060 0.000 0.812 678 Q CB 1.555 30.338 28.738 0.074 0.000 1.300 678 Q HN 0.526 nan 8.270 nan 0.000 0.427 679 L N 5.113 126.359 121.223 0.038 0.000 2.282 679 L HA 0.558 4.898 4.340 -0.000 0.000 0.288 679 L C -0.537 176.341 176.870 0.014 0.000 1.033 679 L CA -0.625 54.227 54.840 0.021 0.000 0.807 679 L CB 1.275 43.338 42.059 0.006 0.000 1.209 679 L HN 0.574 nan 8.230 nan 0.000 0.423 680 I N 2.699 123.270 120.570 0.000 0.000 2.382 680 I HA 0.235 4.405 4.170 -0.000 0.000 0.286 680 I C -0.282 175.785 176.117 -0.083 0.000 1.002 680 I CA -0.590 60.699 61.300 -0.019 0.000 1.135 680 I CB 2.045 40.050 38.000 0.008 0.000 1.288 680 I HN 0.512 nan 8.210 nan 0.000 0.448 681 E N 6.790 126.939 120.200 -0.085 0.000 2.130 681 E HA 0.378 4.728 4.350 -0.000 0.000 0.284 681 E C -0.945 175.541 176.600 -0.191 0.000 1.018 681 E CA -0.292 56.035 56.400 -0.122 0.000 0.817 681 E CB 0.759 30.412 29.700 -0.078 0.000 1.078 681 E HN 0.436 nan 8.360 nan 0.000 0.396 682 L N 7.187 128.234 121.223 -0.293 0.000 2.380 682 L HA 0.339 4.679 4.340 -0.000 0.000 0.273 682 L C -1.594 175.095 176.870 -0.301 0.000 1.138 682 L CA -1.805 52.753 54.840 -0.469 0.000 0.832 682 L CB 0.504 42.184 42.059 -0.633 0.000 1.124 682 L HN 0.523 nan 8.230 nan 0.000 0.454 683 P HA 0.018 nan 4.420 nan 0.000 0.271 683 P C -0.825 176.422 177.300 -0.089 0.000 1.244 683 P CA -0.497 62.544 63.100 -0.097 0.000 0.793 683 P CB 0.439 32.145 31.700 0.009 0.000 0.984 684 E N 0.363 120.540 120.200 -0.038 0.000 2.493 684 E HA 0.052 4.402 4.350 -0.000 0.000 0.255 684 E C -0.264 176.336 176.600 -0.001 0.000 0.999 684 E CA 0.124 56.508 56.400 -0.026 0.000 0.934 684 E CB -0.190 29.504 29.700 -0.009 0.000 0.940 684 E HN 0.307 nan 8.360 nan 0.000 0.473 685 L N 6.259 127.476 121.223 -0.010 0.000 2.290 685 L HA 0.300 4.640 4.340 -0.000 0.000 0.284 685 L C -1.418 175.471 176.870 0.031 0.000 1.078 685 L CA -2.091 52.767 54.840 0.029 0.000 0.815 685 L CB 0.174 42.243 42.059 0.016 0.000 1.162 685 L HN 0.400 nan 8.230 nan 0.000 0.435 686 P HA -0.004 nan 4.420 nan 0.000 0.270 686 P C -1.041 176.277 177.300 0.030 0.000 1.227 686 P CA -0.422 62.699 63.100 0.036 0.000 0.788 686 P CB 0.631 32.356 31.700 0.042 0.000 0.926 687 Q N 1.729 121.542 119.800 0.022 0.000 2.279 687 Q HA 0.262 4.602 4.340 -0.000 0.000 0.256 687 Q C -1.844 174.170 176.000 0.023 0.000 0.937 687 Q CA -1.619 54.195 55.803 0.018 0.000 0.933 687 Q CB 0.417 29.163 28.738 0.012 0.000 1.189 687 Q HN 0.401 nan 8.270 nan 0.000 0.417 688 P HA 0.023 nan 4.420 nan 0.000 0.267 688 P C 0.112 177.427 177.300 0.025 0.000 1.205 688 P CA -0.019 63.099 63.100 0.030 0.000 0.765 688 P CB 1.216 32.938 31.700 0.035 0.000 0.828 689 E N 1.330 121.544 120.200 0.024 0.000 2.008 689 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 689 E C 1.053 177.667 176.600 0.023 0.000 0.986 689 E CA 0.884 57.296 56.400 0.021 0.000 0.807 689 E CB -0.844 28.868 29.700 0.019 0.000 0.766 689 E HN 0.491 nan 8.360 nan 0.000 0.450 690 S N 0.052 115.768 115.700 0.027 0.000 2.589 690 S HA 0.367 4.837 4.470 -0.000 0.000 0.265 690 S C 0.139 174.760 174.600 0.035 0.000 1.342 690 S CA -0.043 58.175 58.200 0.031 0.000 1.005 690 S CB 0.669 63.889 63.200 0.034 0.000 0.909 690 S HN 0.267 nan 8.310 nan 0.000 0.555 691 A N 1.601 124.443 122.820 0.037 0.000 2.280 691 A HA 0.757 5.077 4.320 -0.000 0.000 0.268 691 A C 0.878 178.493 177.584 0.053 0.000 1.111 691 A CA 0.257 52.317 52.037 0.039 0.000 0.814 691 A CB -0.609 18.414 19.000 0.038 0.000 1.093 691 A HN 2.018 nan 8.150 nan 0.000 0.498 692 G N -1.301 107.531 108.800 0.054 0.000 2.347 692 G HA2 0.424 4.384 3.960 -0.000 0.000 0.341 692 G HA3 0.424 4.384 3.960 -0.000 0.000 0.341 692 G C -1.117 173.823 174.900 0.066 0.000 1.287 692 G CA -0.090 45.057 45.100 0.078 0.000 0.984 692 G HN 1.166 nan 8.290 nan 0.000 0.526 693 Q N -0.181 119.681 119.800 0.104 0.000 2.325 693 Q HA 0.725 5.065 4.340 -0.000 0.000 0.262 693 Q C -0.274 175.799 176.000 0.122 0.000 0.968 693 Q CA -0.569 55.259 55.803 0.042 0.000 0.877 693 Q CB 1.212 29.948 28.738 -0.004 0.000 1.253 693 Q HN 0.589 nan 8.270 nan 0.000 0.448 694 L N 4.217 125.447 121.223 0.011 0.000 2.326 694 L HA 0.467 4.807 4.340 -0.000 0.000 0.278 694 L C -0.750 176.135 176.870 0.025 0.000 1.092 694 L CA -0.378 54.517 54.840 0.091 0.000 0.810 694 L CB 0.667 42.755 42.059 0.048 0.000 1.153 694 L HN 0.662 nan 8.230 nan 0.000 0.439 695 W N 4.018 125.380 121.300 0.104 0.000 2.819 695 W HA 0.519 5.179 4.660 -0.000 0.000 0.337 695 W C -0.853 175.774 176.519 0.180 0.000 1.077 695 W CA -0.546 56.884 57.345 0.142 0.000 1.226 695 W CB 1.703 31.267 29.460 0.174 0.000 1.419 695 W HN 0.112 nan 8.180 nan 0.000 0.502 696 L N 3.136 124.644 121.223 0.475 0.000 2.296 696 L HA 0.766 5.106 4.340 -0.000 0.000 0.286 696 L C -0.426 176.755 176.870 0.517 0.000 1.023 696 L CA 0.102 55.208 54.840 0.443 0.000 0.812 696 L CB 1.325 43.607 42.059 0.371 0.000 1.223 696 L HN 0.322 nan 8.230 nan 0.000 0.421 697 T N 5.274 120.075 114.554 0.411 0.000 2.812 697 T HA 0.664 5.014 4.350 -0.000 0.000 0.282 697 T C -0.744 174.148 174.700 0.321 0.000 0.990 697 T CA -0.428 61.869 62.100 0.328 0.000 0.960 697 T CB 1.422 70.415 68.868 0.209 0.000 0.948 697 T HN 0.594 nan 8.240 nan 0.000 0.438 698 V N 1.821 121.902 119.914 0.280 0.000 2.769 698 V HA 0.941 5.061 4.120 -0.000 0.000 0.312 698 V C -0.692 175.477 176.094 0.124 0.000 1.061 698 V CA -1.335 61.098 62.300 0.221 0.000 0.931 698 V CB 1.927 33.853 31.823 0.171 0.000 1.010 698 V HN 1.009 nan 8.190 nan 0.000 0.433 699 R N 1.798 122.391 120.500 0.155 0.000 2.626 699 R HA 0.807 5.147 4.340 -0.000 0.000 0.274 699 R C -2.076 174.301 176.300 0.129 0.000 1.031 699 R CA -0.806 55.400 56.100 0.175 0.000 0.898 699 R CB 2.081 32.480 30.300 0.166 0.000 1.222 699 R HN 0.519 nan 8.270 nan 0.000 0.455 700 V N 2.868 122.892 119.914 0.183 0.000 2.432 700 V HA 0.333 4.453 4.120 -0.000 0.000 0.275 700 V C -0.124 175.993 176.094 0.039 0.000 1.043 700 V CA -0.546 61.818 62.300 0.107 0.000 0.925 700 V CB 1.420 33.340 31.823 0.161 0.000 0.985 700 V HN 0.532 nan 8.190 nan 0.000 0.466 701 V N 5.199 125.058 119.914 -0.091 0.000 2.555 701 V HA 0.399 4.519 4.120 -0.000 0.000 0.302 701 V C -0.207 175.873 176.094 -0.023 0.000 1.038 701 V CA -0.769 61.459 62.300 -0.120 0.000 0.887 701 V CB 1.912 33.507 31.823 -0.380 0.000 0.991 701 V HN 0.894 nan 8.190 nan 0.000 0.434 702 Q N 4.994 124.823 119.800 0.047 0.000 2.421 702 Q HA 0.253 4.593 4.340 -0.000 0.000 0.242 702 Q C -1.883 174.133 176.000 0.026 0.000 1.024 702 Q CA -1.732 54.112 55.803 0.068 0.000 0.891 702 Q CB 1.660 30.470 28.738 0.120 0.000 1.222 702 Q HN 0.473 nan 8.270 nan 0.000 0.483 703 P HA -0.203 nan 4.420 nan 0.000 0.216 703 P C -0.257 177.044 177.300 0.002 0.000 1.153 703 P CA 1.335 64.445 63.100 0.016 0.000 0.858 703 P CB 0.339 32.054 31.700 0.026 0.000 0.789 704 N N -0.559 118.134 118.700 -0.012 0.000 2.487 704 N HA 0.372 5.112 4.740 -0.000 0.000 0.292 704 N C -0.129 175.332 175.510 -0.082 0.000 1.108 704 N CA -0.442 52.587 53.050 -0.036 0.000 0.956 704 N CB 1.050 39.518 38.487 -0.032 0.000 1.176 704 N HN -0.062 nan 8.380 nan 0.000 0.484 705 A N 0.748 123.513 122.820 -0.092 0.000 2.366 705 A HA 0.494 4.814 4.320 -0.000 0.000 0.249 705 A C 0.779 178.239 177.584 -0.206 0.000 1.084 705 A CA -0.023 51.924 52.037 -0.150 0.000 0.794 705 A CB 0.060 18.999 19.000 -0.103 0.000 1.034 705 A HN 0.766 nan 8.150 nan 0.000 0.491 706 T N -3.192 111.157 114.554 -0.341 0.000 2.693 706 T HA 0.630 4.980 4.350 -0.000 0.000 0.278 706 T C 0.961 175.487 174.700 -0.290 0.000 0.994 706 T CA 0.070 61.946 62.100 -0.374 0.000 1.033 706 T CB 1.038 69.469 68.868 -0.728 0.000 1.342 706 T HN 1.341 nan 8.240 nan 0.000 0.538 707 A N -0.125 122.600 122.820 -0.159 0.000 2.067 707 A HA 0.118 4.438 4.320 -0.000 0.000 0.219 707 A C 1.696 179.409 177.584 0.216 0.000 1.158 707 A CA 1.097 53.162 52.037 0.045 0.000 0.661 707 A CB -0.869 18.177 19.000 0.075 0.000 0.801 707 A HN 0.913 nan 8.150 nan 0.000 0.452 708 W N -0.657 120.716 121.300 0.122 0.000 2.870 708 W HA 0.404 5.064 4.660 -0.000 0.000 0.358 708 W C -0.176 176.319 176.519 -0.040 0.000 1.043 708 W CA 0.516 57.904 57.345 0.072 0.000 1.692 708 W CB -0.927 28.569 29.460 0.060 0.000 1.100 708 W HN 0.401 nan 8.180 nan 0.000 0.557 709 S N 0.420 115.705 115.700 -0.692 0.000 2.556 709 S HA 0.466 4.936 4.470 -0.000 0.000 0.271 709 S C -0.822 173.554 174.600 -0.374 0.000 1.135 709 S CA -0.770 57.051 58.200 -0.632 0.000 0.858 709 S CB 2.607 65.040 63.200 -1.277 0.000 1.114 709 S HN 0.149 nan 8.310 nan 0.000 0.468 710 E N 0.888 120.982 120.200 -0.178 0.000 2.312 710 E HA 0.606 4.956 4.350 -0.000 0.000 0.259 710 E C 0.130 176.699 176.600 -0.052 0.000 1.122 710 E CA -1.098 55.253 56.400 -0.082 0.000 0.922 710 E CB 0.791 30.485 29.700 -0.010 0.000 1.109 710 E HN 0.876 nan 8.360 nan 0.000 0.442 711 A N 0.647 123.447 122.820 -0.033 0.000 2.511 711 A HA 0.388 4.708 4.320 -0.000 0.000 0.242 711 A C 1.188 178.786 177.584 0.023 0.000 1.069 711 A CA 0.652 52.681 52.037 -0.012 0.000 0.763 711 A CB -0.659 18.335 19.000 -0.009 0.000 1.001 711 A HN 0.864 nan 8.150 nan 0.000 0.498 712 G N 0.662 109.480 108.800 0.031 0.000 2.179 712 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 712 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 712 G C 0.234 175.166 174.900 0.054 0.000 0.977 712 G CA 0.704 45.824 45.100 0.033 0.000 0.641 712 G HN 1.792 nan 8.290 nan 0.000 0.533 713 H N 0.663 119.732 119.070 -0.002 0.000 3.034 713 H HA 0.406 4.962 4.556 -0.000 0.000 0.324 713 H C 0.791 176.175 175.328 0.094 0.000 1.015 713 H CA 0.341 56.415 56.048 0.042 0.000 1.429 713 H CB 0.149 29.920 29.762 0.014 0.000 1.429 713 H HN 0.317 nan 8.280 nan 0.000 0.585 714 I N 4.876 125.158 120.570 -0.480 0.000 2.315 714 I HA 0.044 4.214 4.170 -0.000 0.000 0.291 714 I C 0.953 176.889 176.117 -0.301 0.000 1.006 714 I CA 0.028 61.180 61.300 -0.247 0.000 1.265 714 I CB 1.455 39.399 38.000 -0.094 0.000 1.387 714 I HN 0.771 nan 8.210 nan 0.000 0.475 715 S N 4.215 119.960 115.700 0.076 0.000 2.502 715 S HA 0.549 5.019 4.470 -0.000 0.000 0.215 715 S C 0.488 175.334 174.600 0.410 0.000 1.009 715 S CA 0.035 58.437 58.200 0.336 0.000 0.908 715 S CB 0.568 64.089 63.200 0.536 0.000 0.801 715 S HN 0.725 nan 8.310 nan 0.000 0.505 716 A N 0.362 123.454 122.820 0.454 0.000 2.608 716 A HA 0.672 4.992 4.320 -0.000 0.000 0.292 716 A C -1.860 176.049 177.584 0.542 0.000 1.066 716 A CA -0.778 51.504 52.037 0.408 0.000 0.676 716 A CB 0.338 19.632 19.000 0.490 0.000 1.277 716 A HN 1.005 nan 8.150 nan 0.000 0.413 717 W N -0.485 120.965 121.300 0.250 0.000 2.989 717 W HA 0.784 5.444 4.660 -0.000 0.000 0.344 717 W C -1.357 175.173 176.519 0.018 0.000 1.233 717 W CA -0.515 56.856 57.345 0.044 0.000 1.187 717 W CB 1.071 30.544 29.460 0.022 0.000 1.443 717 W HN 1.052 nan 8.180 nan 0.000 0.573 718 Q N 1.125 120.925 119.800 0.001 0.000 2.545 718 Q HA 0.408 4.748 4.340 -0.000 0.000 0.273 718 Q C -1.606 174.201 176.000 -0.322 0.000 0.975 718 Q CA -0.440 55.206 55.803 -0.261 0.000 0.876 718 Q CB 2.373 30.745 28.738 -0.610 0.000 1.472 718 Q HN 0.612 nan 8.270 nan 0.000 0.389 719 Q N 1.459 121.040 119.800 -0.365 0.000 2.433 719 Q HA 0.669 5.009 4.340 -0.000 0.000 0.279 719 Q C -1.132 174.745 176.000 -0.205 0.000 1.105 719 Q CA -0.705 55.071 55.803 -0.045 0.000 0.815 719 Q CB 2.370 31.276 28.738 0.280 0.000 1.403 719 Q HN 0.588 nan 8.270 nan 0.000 0.435 720 W N 0.963 122.425 121.300 0.271 0.000 3.256 720 W HA 0.417 5.077 4.660 -0.000 0.000 0.324 720 W C -0.474 175.988 176.519 -0.095 0.000 1.196 720 W CA -0.644 56.757 57.345 0.093 0.000 1.206 720 W CB 1.701 31.189 29.460 0.047 0.000 1.385 720 W HN 0.415 nan 8.180 nan 0.000 0.522 721 R N 2.127 122.521 120.500 -0.176 0.000 2.340 721 R HA 0.479 4.819 4.340 -0.000 0.000 0.300 721 R C 0.403 176.551 176.300 -0.253 0.000 1.069 721 R CA -0.172 55.548 56.100 -0.634 0.000 0.984 721 R CB 1.187 31.028 30.300 -0.764 0.000 1.003 721 R HN 0.332 nan 8.270 nan 0.000 0.459 722 L N 1.404 122.491 121.223 -0.226 0.000 2.793 722 L HA 0.509 4.849 4.340 -0.000 0.000 0.188 722 L C 0.618 177.409 176.870 -0.131 0.000 1.949 722 L CA -0.970 53.802 54.840 -0.114 0.000 2.556 722 L CB -0.073 41.958 42.059 -0.047 0.000 2.898 722 L HN 0.583 nan 8.230 nan 0.000 0.621 723 A N 0.474 123.245 122.820 -0.082 0.000 2.483 723 A HA 0.168 4.488 4.320 -0.000 0.000 0.238 723 A C -0.245 177.294 177.584 -0.076 0.000 1.070 723 A CA 0.284 52.281 52.037 -0.068 0.000 0.770 723 A CB 0.014 18.991 19.000 -0.038 0.000 1.008 723 A HN 0.614 nan 8.150 nan 0.000 0.497 724 E N 1.478 121.638 120.200 -0.067 0.000 2.234 724 E HA 0.318 4.668 4.350 -0.000 0.000 0.266 724 E C -1.446 175.140 176.600 -0.023 0.000 0.877 724 E CA -0.752 55.615 56.400 -0.055 0.000 0.758 724 E CB 0.915 30.568 29.700 -0.078 0.000 1.170 724 E HN 0.683 nan 8.360 nan 0.000 0.415 725 N N 5.123 123.821 118.700 -0.003 0.000 2.511 725 N HA 0.273 5.013 4.740 -0.000 0.000 0.249 725 N C -0.512 175.006 175.510 0.015 0.000 0.971 725 N CA -0.365 52.689 53.050 0.006 0.000 0.938 725 N CB 1.254 39.749 38.487 0.013 0.000 1.131 725 N HN 0.502 nan 8.380 nan 0.000 0.505 726 L N 0.851 122.081 121.223 0.012 0.000 2.453 726 L HA 0.086 4.426 4.340 -0.000 0.000 0.272 726 L C 1.253 178.138 176.870 0.025 0.000 1.182 726 L CA 0.086 54.938 54.840 0.020 0.000 0.858 726 L CB 0.524 42.593 42.059 0.017 0.000 1.120 726 L HN 0.390 nan 8.230 nan 0.000 0.474 727 S N 1.927 117.646 115.700 0.033 0.000 2.448 727 S HA 0.250 4.720 4.470 -0.000 0.000 0.279 727 S C 0.708 175.326 174.600 0.030 0.000 1.195 727 S CA -0.793 57.428 58.200 0.034 0.000 1.051 727 S CB 0.830 64.056 63.200 0.042 0.000 0.948 727 S HN 0.461 nan 8.310 nan 0.000 0.493 728 V N 2.593 122.521 119.914 0.025 0.000 3.455 728 V HA 0.260 4.380 4.120 -0.000 0.000 0.250 728 V C 1.050 177.156 176.094 0.020 0.000 1.230 728 V CA 0.516 62.829 62.300 0.021 0.000 1.105 728 V CB -1.221 30.612 31.823 0.016 0.000 0.850 728 V HN 0.871 nan 8.190 nan 0.000 0.461 729 T N 1.947 116.514 114.554 0.021 0.000 2.928 729 T HA 0.453 4.803 4.350 -0.000 0.000 0.305 729 T C -0.399 174.313 174.700 0.021 0.000 1.035 729 T CA -0.093 62.019 62.100 0.019 0.000 1.145 729 T CB 0.496 69.376 68.868 0.019 0.000 0.963 729 T HN 0.209 nan 8.240 nan 0.000 0.545 730 L N 5.117 126.350 121.223 0.017 0.000 2.325 730 L HA 0.499 4.839 4.340 -0.000 0.000 0.279 730 L C -1.241 175.638 176.870 0.016 0.000 1.054 730 L CA -1.786 53.063 54.840 0.016 0.000 0.804 730 L CB 0.053 42.118 42.059 0.011 0.000 1.200 730 L HN 0.664 nan 8.230 nan 0.000 0.436 731 P HA 0.290 nan 4.420 nan 0.000 0.274 731 P C -0.932 176.373 177.300 0.009 0.000 1.231 731 P CA -0.630 62.482 63.100 0.019 0.000 0.790 731 P CB 0.959 32.675 31.700 0.026 0.000 0.951 732 A N 2.245 125.070 122.820 0.009 0.000 2.522 732 A HA 0.413 4.733 4.320 -0.000 0.000 0.256 732 A C 0.908 178.479 177.584 -0.022 0.000 1.086 732 A CA -0.019 52.014 52.037 -0.006 0.000 0.763 732 A CB -0.778 18.227 19.000 0.008 0.000 1.024 732 A HN 0.764 nan 8.150 nan 0.000 0.502 733 A N 3.309 126.098 122.820 -0.051 0.000 2.531 733 A HA 0.419 4.739 4.320 -0.000 0.000 0.236 733 A C 0.969 178.485 177.584 -0.114 0.000 1.062 733 A CA 0.691 52.687 52.037 -0.069 0.000 0.760 733 A CB -0.035 18.915 19.000 -0.083 0.000 0.995 733 A HN 1.377 nan 8.150 nan 0.000 0.501 734 S N 0.164 115.830 115.700 -0.057 0.000 2.565 734 S HA 0.331 4.801 4.470 -0.000 0.000 0.274 734 S C 0.893 175.464 174.600 -0.049 0.000 1.309 734 S CA -0.446 57.751 58.200 -0.006 0.000 1.043 734 S CB 0.153 63.388 63.200 0.058 0.000 0.939 734 S HN 0.699 nan 8.310 nan 0.000 0.504 735 H N 2.576 121.660 119.070 0.023 0.000 2.428 735 H HA 0.298 4.854 4.556 -0.000 0.000 0.296 735 H C 1.139 176.483 175.328 0.026 0.000 1.062 735 H CA 0.994 57.054 56.048 0.021 0.000 1.350 735 H CB -0.378 29.396 29.762 0.019 0.000 1.403 735 H HN 0.649 nan 8.280 nan 0.000 0.533 736 A N 1.279 124.199 122.820 0.167 0.000 2.462 736 A HA 0.408 4.728 4.320 -0.000 0.000 0.243 736 A C -0.123 177.510 177.584 0.082 0.000 1.076 736 A CA -0.028 52.076 52.037 0.111 0.000 0.773 736 A CB -0.047 19.016 19.000 0.105 0.000 1.010 736 A HN 0.316 nan 8.150 nan 0.000 0.493 737 I N 3.592 124.208 120.570 0.077 0.000 2.499 737 I HA 0.314 4.484 4.170 -0.000 0.000 0.288 737 I C -2.061 174.104 176.117 0.080 0.000 1.048 737 I CA -2.008 59.328 61.300 0.059 0.000 1.062 737 I CB 2.303 40.330 38.000 0.045 0.000 1.238 737 I HN 0.568 nan 8.210 nan 0.000 0.426 738 P HA 0.018 nan 4.420 nan 0.000 0.269 738 P C -1.130 176.240 177.300 0.117 0.000 1.215 738 P CA 0.210 63.370 63.100 0.100 0.000 0.780 738 P CB 0.910 32.627 31.700 0.028 0.000 0.898 739 H N 2.154 121.264 119.070 0.068 0.000 2.495 739 H HA 0.390 4.946 4.556 -0.000 0.000 0.348 739 H C -1.258 174.109 175.328 0.065 0.000 1.113 739 H CA -0.924 55.156 56.048 0.053 0.000 1.195 739 H CB 1.594 31.389 29.762 0.055 0.000 1.521 739 H HN 0.239 nan 8.280 nan 0.000 0.509 740 L N 4.684 125.676 121.223 -0.385 0.000 2.272 740 L HA 0.342 4.682 4.340 -0.000 0.000 0.289 740 L C -0.695 176.127 176.870 -0.080 0.000 1.032 740 L CA -0.052 54.699 54.840 -0.149 0.000 0.810 740 L CB 1.390 43.331 42.059 -0.196 0.000 1.205 740 L HN 0.567 nan 8.230 nan 0.000 0.422 741 T N 3.739 118.411 114.554 0.197 0.000 2.788 741 T HA 0.409 4.759 4.350 -0.000 0.000 0.296 741 T C -0.156 174.680 174.700 0.226 0.000 1.009 741 T CA -0.297 61.950 62.100 0.244 0.000 0.949 741 T CB 0.658 69.677 68.868 0.252 0.000 0.946 741 T HN 0.686 nan 8.240 nan 0.000 0.453 742 T N 3.496 118.172 114.554 0.203 0.000 2.837 742 T HA 0.647 4.997 4.350 -0.000 0.000 0.285 742 T C 0.253 175.039 174.700 0.143 0.000 0.984 742 T CA -0.678 61.580 62.100 0.263 0.000 1.049 742 T CB 0.965 70.009 68.868 0.294 0.000 0.947 742 T HN 0.696 nan 8.240 nan 0.000 0.472 743 S N 1.843 117.588 115.700 0.076 0.000 2.697 743 S HA 0.505 4.975 4.470 -0.000 0.000 0.289 743 S C 0.687 175.249 174.600 -0.062 0.000 1.149 743 S CA -0.934 57.275 58.200 0.015 0.000 0.850 743 S CB 1.519 64.731 63.200 0.019 0.000 1.151 743 S HN 0.425 nan 8.310 nan 0.000 0.491 744 E N 0.438 120.608 120.200 -0.051 0.000 2.077 744 E HA -0.037 4.313 4.350 -0.000 0.000 0.193 744 E C 1.387 177.912 176.600 -0.125 0.000 0.989 744 E CA 1.438 57.791 56.400 -0.077 0.000 0.800 744 E CB -0.262 29.413 29.700 -0.042 0.000 0.746 744 E HN 0.586 nan 8.360 nan 0.000 0.452 745 M N 0.251 119.793 119.600 -0.096 0.000 2.465 745 M HA 0.136 4.616 4.480 -0.000 0.000 0.249 745 M C -0.165 176.061 176.300 -0.124 0.000 1.130 745 M CA 0.523 55.766 55.300 -0.095 0.000 1.067 745 M CB 0.126 32.704 32.600 -0.036 0.000 1.394 745 M HN -0.164 nan 8.290 nan 0.000 0.483 746 D N -1.045 119.265 120.400 -0.149 0.000 2.583 746 D HA 0.430 5.070 4.640 -0.000 0.000 0.248 746 D C -1.385 174.853 176.300 -0.102 0.000 1.209 746 D CA -0.351 53.588 54.000 -0.103 0.000 0.848 746 D CB 2.197 43.032 40.800 0.058 0.000 1.431 746 D HN -0.038 nan 8.370 nan 0.000 0.436 747 F N 0.997 121.039 119.950 0.152 0.000 2.500 747 F HA 0.332 4.859 4.527 -0.000 0.000 0.349 747 F C -0.188 175.761 175.800 0.247 0.000 1.127 747 F CA -0.776 57.308 58.000 0.140 0.000 0.998 747 F CB 1.311 40.351 39.000 0.068 0.000 1.237 747 F HN 0.059 nan 8.300 nan 0.000 0.439 748 C N 4.932 124.474 119.300 0.404 0.000 2.411 748 C HA 0.666 5.126 4.460 -0.000 0.000 0.330 748 C C 0.074 175.276 174.990 0.353 0.000 1.224 748 C CA -0.831 58.413 59.018 0.377 0.000 1.770 748 C CB 0.966 28.874 27.740 0.280 0.000 2.297 748 C HN 0.595 nan 8.230 nan 0.000 0.507 749 I N 2.804 123.633 120.570 0.431 0.000 2.418 749 I HA 0.365 4.535 4.170 -0.000 0.000 0.287 749 I C -0.645 175.778 176.117 0.510 0.000 1.008 749 I CA -0.208 61.336 61.300 0.406 0.000 1.104 749 I CB 1.563 39.768 38.000 0.341 0.000 1.264 749 I HN 0.609 nan 8.210 nan 0.000 0.438 750 E N 5.943 126.372 120.200 0.381 0.000 2.183 750 E HA 0.590 4.940 4.350 -0.000 0.000 0.271 750 E C -1.068 175.723 176.600 0.318 0.000 0.919 750 E CA -0.591 55.996 56.400 0.312 0.000 0.781 750 E CB 2.533 32.334 29.700 0.167 0.000 1.140 750 E HN 0.351 nan 8.360 nan 0.000 0.402 751 L N 3.032 124.450 121.223 0.325 0.000 2.489 751 L HA 0.540 4.880 4.340 -0.000 0.000 0.257 751 L C 0.428 177.397 176.870 0.165 0.000 1.215 751 L CA 0.657 55.664 54.840 0.279 0.000 0.915 751 L CB 0.366 42.681 42.059 0.427 0.000 1.146 751 L HN 0.666 nan 8.230 nan 0.000 0.494 752 G N 3.477 112.337 108.800 0.100 0.000 2.601 752 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.306 752 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.306 752 G C 0.729 175.641 174.900 0.020 0.000 1.172 752 G CA 0.524 45.654 45.100 0.051 0.000 0.966 752 G HN 0.925 nan 8.290 nan 0.000 0.542 753 N N 1.799 120.503 118.700 0.006 0.000 2.398 753 N HA 0.082 4.822 4.740 -0.000 0.000 0.188 753 N C 0.470 175.946 175.510 -0.055 0.000 1.122 753 N CA 0.976 54.010 53.050 -0.026 0.000 0.866 753 N CB 0.177 38.648 38.487 -0.027 0.000 0.970 753 N HN 0.730 nan 8.380 nan 0.000 0.462 754 K N 0.467 120.828 120.400 -0.065 0.000 2.164 754 K HA 0.501 4.821 4.320 -0.000 0.000 0.258 754 K C -0.448 176.007 176.600 -0.240 0.000 0.951 754 K CA -0.563 55.578 56.287 -0.244 0.000 0.844 754 K CB 2.001 34.274 32.500 -0.379 0.000 1.099 754 K HN -0.028 nan 8.250 nan 0.000 0.435 755 R N 1.241 121.531 120.500 -0.350 0.000 2.673 755 R HA 0.422 4.762 4.340 -0.000 0.000 0.281 755 R C -1.242 174.957 176.300 -0.168 0.000 0.991 755 R CA -0.817 55.267 56.100 -0.026 0.000 0.896 755 R CB 1.867 32.276 30.300 0.182 0.000 1.201 755 R HN 0.528 nan 8.270 nan 0.000 0.457 756 W N 2.289 123.704 121.300 0.193 0.000 2.656 756 W HA 0.353 5.013 4.660 -0.000 0.000 0.327 756 W C -0.531 176.064 176.519 0.127 0.000 1.041 756 W CA -0.503 56.878 57.345 0.059 0.000 1.229 756 W CB 2.250 31.769 29.460 0.099 0.000 1.397 756 W HN 0.383 nan 8.180 nan 0.000 0.479 757 Q N 2.938 122.802 119.800 0.107 0.000 2.327 757 Q HA 0.396 4.736 4.340 -0.000 0.000 0.270 757 Q C -1.768 174.168 176.000 -0.106 0.000 1.022 757 Q CA -0.492 55.401 55.803 0.151 0.000 0.773 757 Q CB 1.185 30.060 28.738 0.229 0.000 1.251 757 Q HN 0.320 nan 8.270 nan 0.000 0.457 758 F N 2.936 122.967 119.950 0.135 0.000 2.388 758 F HA 0.284 4.811 4.527 -0.000 0.000 0.358 758 F C 0.560 176.395 175.800 0.058 0.000 1.122 758 F CA -0.963 57.086 58.000 0.082 0.000 1.056 758 F CB 1.053 40.110 39.000 0.095 0.000 1.155 758 F HN 0.483 nan 8.300 nan 0.000 0.461 759 N N 3.495 122.291 118.700 0.159 0.000 2.431 759 N HA 0.047 4.787 4.740 -0.000 0.000 0.265 759 N C 0.987 176.519 175.510 0.036 0.000 1.184 759 N CA 0.206 53.306 53.050 0.083 0.000 0.943 759 N CB 0.607 39.150 38.487 0.093 0.000 1.080 759 N HN 0.628 nan 8.380 nan 0.000 0.477 760 R N 2.315 122.765 120.500 -0.084 0.000 2.280 760 R HA -0.077 4.263 4.340 -0.000 0.000 0.207 760 R C 1.463 177.697 176.300 -0.109 0.000 1.043 760 R CA 0.668 56.660 56.100 -0.180 0.000 1.006 760 R CB 0.199 30.257 30.300 -0.402 0.000 0.885 760 R HN 0.693 nan 8.270 nan 0.000 0.467 761 Q N 0.269 120.034 119.800 -0.058 0.000 2.259 761 Q HA -0.057 4.282 4.340 -0.000 0.000 0.201 761 Q C 1.843 177.830 176.000 -0.021 0.000 0.938 761 Q CA 1.367 57.147 55.803 -0.038 0.000 0.872 761 Q CB 0.342 29.072 28.738 -0.013 0.000 0.971 761 Q HN 0.281 nan 8.270 nan 0.000 0.494 762 S N -1.784 113.927 115.700 0.019 0.000 2.456 762 S HA 0.200 4.670 4.470 -0.000 0.000 0.224 762 S C 1.432 175.955 174.600 -0.128 0.000 1.035 762 S CA 0.728 58.961 58.200 0.055 0.000 0.940 762 S CB 0.483 63.832 63.200 0.250 0.000 0.799 762 S HN 0.603 nan 8.310 nan 0.000 0.508 763 G N 0.427 109.176 108.800 -0.084 0.000 2.141 763 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.242 763 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.242 763 G C -0.091 174.774 174.900 -0.059 0.000 0.982 763 G CA 0.256 45.295 45.100 -0.103 0.000 0.662 763 G HN 0.538 nan 8.290 nan 0.000 0.527 764 F N -1.198 118.920 119.950 0.281 0.000 2.575 764 F HA 0.692 5.219 4.527 -0.000 0.000 0.330 764 F C 0.455 176.258 175.800 0.006 0.000 1.056 764 F CA -1.503 56.608 58.000 0.185 0.000 0.964 764 F CB 1.432 40.505 39.000 0.121 0.000 1.258 764 F HN 0.005 nan 8.300 nan 0.000 0.484 765 L N 1.886 123.129 121.223 0.033 0.000 2.485 765 L HA 0.184 4.524 4.340 -0.000 0.000 0.279 765 L C 0.971 177.712 176.870 -0.215 0.000 1.124 765 L CA 0.393 54.933 54.840 -0.501 0.000 0.888 765 L CB 0.381 42.107 42.059 -0.556 0.000 1.217 765 L HN 0.701 nan 8.230 nan 0.000 0.464 766 S N 2.615 118.193 115.700 -0.202 0.000 2.503 766 S HA 0.241 4.711 4.470 -0.000 0.000 0.217 766 S C 0.592 175.041 174.600 -0.252 0.000 0.999 766 S CA -0.061 58.060 58.200 -0.131 0.000 0.914 766 S CB 0.083 63.262 63.200 -0.035 0.000 0.782 766 S HN 0.673 nan 8.310 nan 0.000 0.520 767 Q N -0.287 119.279 119.800 -0.390 0.000 2.527 767 Q HA 0.651 4.991 4.340 -0.000 0.000 0.280 767 Q C -1.988 173.538 176.000 -0.791 0.000 0.977 767 Q CA -0.244 55.164 55.803 -0.658 0.000 0.837 767 Q CB 1.680 29.895 28.738 -0.872 0.000 1.454 767 Q HN 0.425 nan 8.270 nan 0.000 0.387 768 M N 1.582 120.617 119.600 -0.941 0.000 2.501 768 M HA 0.642 5.122 4.480 -0.000 0.000 0.293 768 M C -1.439 174.361 176.300 -0.834 0.000 1.192 768 M CA -0.487 54.332 55.300 -0.801 0.000 0.886 768 M CB 2.200 34.382 32.600 -0.698 0.000 1.710 768 M HN 0.478 nan 8.290 nan 0.000 0.457 769 W N 3.034 124.091 121.300 -0.405 0.000 3.022 769 W HA 0.611 5.271 4.660 -0.000 0.000 0.335 769 W C -1.414 174.909 176.519 -0.326 0.000 1.133 769 W CA -0.582 56.590 57.345 -0.289 0.000 1.219 769 W CB 1.635 30.965 29.460 -0.215 0.000 1.409 769 W HN 0.491 nan 8.180 nan 0.000 0.507 770 I N 3.276 123.848 120.570 0.003 0.000 2.521 770 I HA 0.409 4.579 4.170 -0.000 0.000 0.277 770 I C 0.722 176.830 176.117 -0.015 0.000 1.054 770 I CA 0.047 61.307 61.300 -0.066 0.000 1.117 770 I CB 0.992 38.933 38.000 -0.099 0.000 1.217 770 I HN 0.681 nan 8.210 nan 0.000 0.469 771 G N 5.899 114.686 108.800 -0.021 0.000 2.509 771 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.256 771 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.256 771 G C 0.183 175.073 174.900 -0.016 0.000 1.152 771 G CA 0.604 45.688 45.100 -0.027 0.000 0.951 771 G HN 0.807 nan 8.290 nan 0.000 0.559 772 D N 0.353 120.750 120.400 -0.006 0.000 2.363 772 D HA 0.295 4.935 4.640 -0.000 0.000 0.214 772 D C 0.504 176.881 176.300 0.129 0.000 1.093 772 D CA 0.078 54.075 54.000 -0.003 0.000 0.837 772 D CB 0.342 41.119 40.800 -0.039 0.000 0.948 772 D HN 0.314 nan 8.370 nan 0.000 0.507 773 K N 1.905 122.389 120.400 0.139 0.000 2.262 773 K HA 0.178 4.498 4.320 -0.000 0.000 0.282 773 K C 0.270 176.955 176.600 0.142 0.000 1.066 773 K CA -0.412 55.946 56.287 0.119 0.000 0.901 773 K CB 1.260 33.774 32.500 0.022 0.000 1.089 773 K HN 0.380 nan 8.250 nan 0.000 0.476 774 K N 2.122 122.572 120.400 0.082 0.000 2.382 774 K HA 0.059 4.379 4.320 -0.000 0.000 0.275 774 K C 0.332 176.800 176.600 -0.219 0.000 1.009 774 K CA -0.059 56.083 56.287 -0.242 0.000 0.970 774 K CB 0.801 33.202 32.500 -0.166 0.000 0.934 774 K HN 0.260 nan 8.250 nan 0.000 0.479 775 Q N 1.655 121.259 119.800 -0.328 0.000 2.317 775 Q HA 0.258 4.598 4.340 -0.000 0.000 0.220 775 Q C 0.046 175.972 176.000 -0.124 0.000 0.873 775 Q CA 0.342 56.062 55.803 -0.138 0.000 0.936 775 Q CB 0.401 29.092 28.738 -0.079 0.000 1.105 775 Q HN 0.629 nan 8.270 nan 0.000 0.520 776 L N 0.062 121.138 121.223 -0.244 0.000 2.341 776 L HA 0.420 4.760 4.340 -0.000 0.000 0.267 776 L C 0.810 177.553 176.870 -0.211 0.000 1.009 776 L CA -0.421 54.291 54.840 -0.212 0.000 0.819 776 L CB 1.812 43.724 42.059 -0.245 0.000 1.323 776 L HN -0.099 nan 8.230 nan 0.000 0.425 777 L N -0.093 120.997 121.223 -0.222 0.000 2.609 777 L HA 0.270 4.610 4.340 -0.000 0.000 0.230 777 L C -0.059 176.696 176.870 -0.192 0.000 1.064 777 L CA 0.605 55.323 54.840 -0.203 0.000 0.873 777 L CB 0.988 42.902 42.059 -0.243 0.000 1.139 777 L HN 0.612 nan 8.230 nan 0.000 0.490 778 T N 0.080 114.491 114.554 -0.237 0.000 2.916 778 T HA 0.388 4.738 4.350 -0.000 0.000 0.298 778 T C -2.578 172.043 174.700 -0.131 0.000 1.031 778 T CA -1.096 60.910 62.100 -0.157 0.000 0.993 778 T CB 2.508 71.273 68.868 -0.172 0.000 1.045 778 T HN -0.280 nan 8.240 nan 0.000 0.454 779 P HA 0.137 nan 4.420 nan 0.000 0.269 779 P C -0.716 176.531 177.300 -0.088 0.000 1.217 779 P CA -0.672 62.382 63.100 -0.078 0.000 0.783 779 P CB 0.429 32.113 31.700 -0.027 0.000 0.898 780 L N 3.602 124.799 121.223 -0.043 0.000 2.325 780 L HA 0.274 4.614 4.340 -0.000 0.000 0.284 780 L C 0.042 176.842 176.870 -0.116 0.000 1.089 780 L CA 0.540 55.388 54.840 0.013 0.000 0.836 780 L CB -0.593 41.571 42.059 0.175 0.000 1.184 780 L HN 0.290 nan 8.230 nan 0.000 0.444 781 R N 2.706 123.044 120.500 -0.269 0.000 2.854 781 R HA 0.497 4.837 4.340 -0.000 0.000 0.271 781 R C -0.932 175.207 176.300 -0.268 0.000 0.994 781 R CA -1.038 54.722 56.100 -0.567 0.000 0.945 781 R CB 1.172 30.977 30.300 -0.825 0.000 1.194 781 R HN 0.518 nan 8.270 nan 0.000 0.476 782 D N 1.075 121.372 120.400 -0.172 0.000 2.382 782 D HA 0.057 4.697 4.640 -0.000 0.000 0.240 782 D C -0.464 175.395 176.300 -0.734 0.000 1.146 782 D CA 0.379 54.117 54.000 -0.437 0.000 0.897 782 D CB 0.655 41.116 40.800 -0.564 0.000 1.197 782 D HN 0.226 nan 8.370 nan 0.000 0.432 783 Q N 0.991 120.162 119.800 -1.048 0.000 2.271 783 Q HA 0.338 4.678 4.340 -0.000 0.000 0.268 783 Q C -1.356 173.893 176.000 -1.253 0.000 1.021 783 Q CA -0.581 54.668 55.803 -0.923 0.000 0.802 783 Q CB 0.814 29.242 28.738 -0.517 0.000 1.282 783 Q HN 0.548 nan 8.270 nan 0.000 0.431 784 F N 0.814 120.347 119.950 -0.696 0.000 2.729 784 F HA 0.218 4.745 4.527 -0.000 0.000 0.315 784 F C 0.528 175.859 175.800 -0.781 0.000 1.102 784 F CA -0.208 57.278 58.000 -0.855 0.000 1.204 784 F CB 1.481 39.645 39.000 -1.393 0.000 1.052 784 F HN 0.442 nan 8.300 nan 0.000 0.551 785 T N -0.825 113.392 114.554 -0.561 0.000 2.907 785 T HA 0.809 5.159 4.350 -0.000 0.000 0.290 785 T C -0.624 173.794 174.700 -0.469 0.000 1.066 785 T CA -0.983 60.711 62.100 -0.677 0.000 1.012 785 T CB 2.836 71.211 68.868 -0.822 0.000 1.184 785 T HN 0.266 nan 8.240 nan 0.000 0.522 786 R N -0.217 120.061 120.500 -0.371 0.000 2.740 786 R HA 0.754 5.094 4.340 -0.000 0.000 0.273 786 R C -0.888 175.447 176.300 0.058 0.000 0.998 786 R CA -1.196 54.818 56.100 -0.143 0.000 0.900 786 R CB 1.468 31.686 30.300 -0.137 0.000 1.223 786 R HN 0.862 nan 8.270 nan 0.000 0.466 787 A N 3.826 126.671 122.820 0.042 0.000 2.515 787 A HA 0.251 4.571 4.320 -0.000 0.000 0.263 787 A C -1.890 175.751 177.584 0.094 0.000 1.096 787 A CA -1.183 50.887 52.037 0.054 0.000 0.769 787 A CB -0.451 18.522 19.000 -0.046 0.000 1.040 787 A HN 0.596 nan 8.150 nan 0.000 0.505 788 P HA 0.050 nan 4.420 nan 0.000 0.261 788 P C -0.278 177.128 177.300 0.177 0.000 1.183 788 P CA 0.534 63.785 63.100 0.251 0.000 0.761 788 P CB 0.340 32.219 31.700 0.299 0.000 0.785 789 L N 2.871 124.167 121.223 0.122 0.000 2.475 789 L HA 0.133 4.473 4.340 -0.000 0.000 0.253 789 L C 1.760 178.663 176.870 0.055 0.000 1.198 789 L CA -0.419 54.432 54.840 0.019 0.000 0.814 789 L CB -0.243 41.755 42.059 -0.103 0.000 1.134 789 L HN 0.223 nan 8.230 nan 0.000 0.478 790 D N -0.069 120.312 120.400 -0.032 0.000 2.123 790 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 790 D C 1.678 177.918 176.300 -0.101 0.000 0.992 790 D CA 1.372 55.297 54.000 -0.125 0.000 0.833 790 D CB -0.101 40.558 40.800 -0.236 0.000 0.954 790 D HN 0.455 nan 8.370 nan 0.000 0.455 791 N N 0.668 119.315 118.700 -0.088 0.000 2.381 791 N HA -0.103 4.637 4.740 -0.000 0.000 0.182 791 N C 0.898 176.423 175.510 0.024 0.000 1.025 791 N CA 0.758 53.775 53.050 -0.055 0.000 0.888 791 N CB -0.091 38.355 38.487 -0.069 0.000 0.965 791 N HN 0.266 nan 8.380 nan 0.000 0.438 792 D N 0.476 120.910 120.400 0.058 0.000 2.194 792 D HA 0.058 4.698 4.640 -0.000 0.000 0.204 792 D C 2.020 178.374 176.300 0.090 0.000 0.964 792 D CA 0.378 54.450 54.000 0.121 0.000 0.846 792 D CB 0.196 41.142 40.800 0.242 0.000 0.962 792 D HN 0.319 nan 8.370 nan 0.000 0.490 793 I N 0.262 120.873 120.570 0.068 0.000 2.400 793 I HA 0.063 4.233 4.170 -0.000 0.000 0.248 793 I C 1.809 177.951 176.117 0.041 0.000 1.109 793 I CA 0.654 61.982 61.300 0.047 0.000 1.425 793 I CB -0.394 37.621 38.000 0.025 0.000 1.094 793 I HN 0.055 nan 8.210 nan 0.000 0.425 794 G N 1.435 110.265 108.800 0.051 0.000 2.550 794 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.277 794 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.277 794 G C 0.684 175.740 174.900 0.259 0.000 1.190 794 G CA 0.796 45.978 45.100 0.136 0.000 0.971 794 G HN 0.504 nan 8.290 nan 0.000 0.559 795 V N -1.704 118.323 119.914 0.187 0.000 3.649 795 V HA 0.553 4.673 4.120 -0.000 0.000 0.275 795 V C 1.468 177.563 176.094 0.002 0.000 1.281 795 V CA 1.434 63.775 62.300 0.067 0.000 1.143 795 V CB -0.015 31.759 31.823 -0.081 0.000 0.892 795 V HN 1.501 nan 8.190 nan 0.000 0.441 796 S N 1.183 116.893 115.700 0.016 0.000 2.558 796 S HA 0.228 4.698 4.470 -0.000 0.000 0.288 796 S C 0.004 174.601 174.600 -0.005 0.000 1.318 796 S CA 0.194 58.389 58.200 -0.008 0.000 1.056 796 S CB 0.064 63.259 63.200 -0.009 0.000 0.853 796 S HN 0.833 nan 8.310 nan 0.000 0.505 797 E N 1.120 121.312 120.200 -0.014 0.000 2.449 797 E HA 0.530 4.880 4.350 -0.000 0.000 0.278 797 E C 0.560 177.159 176.600 -0.001 0.000 0.992 797 E CA -0.647 55.750 56.400 -0.005 0.000 0.807 797 E CB 0.976 30.667 29.700 -0.015 0.000 1.350 797 E HN 0.514 nan 8.360 nan 0.000 0.462 798 A N 0.273 123.099 122.820 0.010 0.000 1.933 798 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 798 A C 2.045 179.631 177.584 0.003 0.000 1.175 798 A CA 2.484 54.528 52.037 0.011 0.000 0.628 798 A CB -1.044 17.969 19.000 0.022 0.000 0.814 798 A HN 0.675 nan 8.150 nan 0.000 0.444 799 T N -3.652 110.901 114.554 -0.000 0.000 3.043 799 T HA 0.120 4.470 4.350 -0.000 0.000 0.263 799 T C 0.860 175.549 174.700 -0.019 0.000 1.094 799 T CA 0.343 62.438 62.100 -0.007 0.000 1.127 799 T CB 0.016 68.879 68.868 -0.008 0.000 0.905 799 T HN 0.243 nan 8.240 nan 0.000 0.490 800 R N 1.086 121.571 120.500 -0.026 0.000 2.607 800 R HA 0.459 4.799 4.340 -0.000 0.000 0.278 800 R C -1.017 175.262 176.300 -0.036 0.000 1.637 800 R CA -0.397 55.681 56.100 -0.038 0.000 1.325 800 R CB 0.844 31.110 30.300 -0.057 0.000 1.211 800 R HN 0.401 nan 8.270 nan 0.000 0.565 801 I N 1.482 122.034 120.570 -0.029 0.000 2.529 801 I HA 0.013 4.183 4.170 -0.000 0.000 0.284 801 I C 0.603 176.696 176.117 -0.040 0.000 1.082 801 I CA 0.180 61.463 61.300 -0.029 0.000 1.406 801 I CB 0.693 38.680 38.000 -0.022 0.000 1.405 801 I HN 0.223 nan 8.210 nan 0.000 0.548 802 D N 8.838 129.212 120.400 -0.044 0.000 2.472 802 D HA 0.215 4.855 4.640 -0.000 0.000 0.234 802 D C -1.536 174.718 176.300 -0.076 0.000 1.088 802 D CA -2.365 51.601 54.000 -0.057 0.000 0.882 802 D CB 1.442 42.212 40.800 -0.050 0.000 1.037 802 D HN 0.215 nan 8.370 nan 0.000 0.520 803 P HA -0.158 nan 4.420 nan 0.000 0.221 803 P C 0.908 178.115 177.300 -0.154 0.000 1.145 803 P CA 0.740 63.781 63.100 -0.099 0.000 0.795 803 P CB 0.536 32.188 31.700 -0.080 0.000 0.775 804 N N 0.133 118.736 118.700 -0.162 0.000 2.416 804 N HA 0.032 4.772 4.740 -0.000 0.000 0.177 804 N C 0.533 175.850 175.510 -0.322 0.000 1.036 804 N CA 0.186 53.096 53.050 -0.233 0.000 0.901 804 N CB -0.519 37.862 38.487 -0.176 0.000 0.976 804 N HN -0.017 nan 8.380 nan 0.000 0.444 805 A N -0.396 122.285 122.820 -0.231 0.000 2.498 805 A HA 0.032 4.352 4.320 -0.000 0.000 0.239 805 A C 0.720 178.099 177.584 -0.342 0.000 1.068 805 A CA -0.265 51.638 52.037 -0.223 0.000 0.766 805 A CB -0.250 18.691 19.000 -0.098 0.000 1.003 805 A HN 0.546 nan 8.150 nan 0.000 0.497 806 W N 1.776 122.836 121.300 -0.400 0.000 2.318 806 W HA -0.206 4.454 4.660 -0.000 0.000 0.313 806 W C 2.248 178.188 176.519 -0.965 0.000 1.221 806 W CA 1.850 58.700 57.345 -0.825 0.000 1.266 806 W CB -0.363 28.511 29.460 -0.978 0.000 1.150 806 W HN 0.575 nan 8.180 nan 0.000 0.496 807 V N 0.829 120.618 119.914 -0.208 0.000 2.392 807 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 807 V C 2.151 178.316 176.094 0.118 0.000 1.059 807 V CA 2.180 64.566 62.300 0.142 0.000 1.051 807 V CB -0.364 31.574 31.823 0.191 0.000 0.658 807 V HN 0.081 nan 8.190 nan 0.000 0.455 808 E N -0.050 120.133 120.200 -0.028 0.000 2.106 808 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 808 E C 2.350 178.919 176.600 -0.051 0.000 0.984 808 E CA 1.089 57.473 56.400 -0.027 0.000 0.806 808 E CB -0.327 29.332 29.700 -0.067 0.000 0.750 808 E HN 0.616 nan 8.360 nan 0.000 0.458 809 R N -0.291 120.104 120.500 -0.175 0.000 2.075 809 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 809 R C 2.285 178.535 176.300 -0.084 0.000 1.126 809 R CA 1.159 57.136 56.100 -0.205 0.000 0.963 809 R CB -0.148 29.912 30.300 -0.399 0.000 0.858 809 R HN 0.245 nan 8.270 nan 0.000 0.435 810 W N 1.488 122.786 121.300 -0.003 0.000 2.355 810 W HA -0.072 4.588 4.660 -0.000 0.000 0.309 810 W C 1.939 178.454 176.519 -0.006 0.000 1.206 810 W CA 0.697 57.966 57.345 -0.127 0.000 1.284 810 W CB -0.682 28.866 29.460 0.148 0.000 1.145 810 W HN 0.097 nan 8.180 nan 0.000 0.502 811 K N 0.209 120.855 120.400 0.409 0.000 2.009 811 K HA -0.121 4.199 4.320 -0.000 0.000 0.210 811 K C 2.272 178.933 176.600 0.102 0.000 1.049 811 K CA 1.930 58.391 56.287 0.291 0.000 0.929 811 K CB -0.667 31.934 32.500 0.169 0.000 0.714 811 K HN -0.019 nan 8.250 nan 0.000 0.440 812 A N 1.152 124.002 122.820 0.051 0.000 2.019 812 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 812 A C 2.195 179.781 177.584 0.002 0.000 1.164 812 A CA 1.807 53.859 52.037 0.024 0.000 0.644 812 A CB -0.539 18.463 19.000 0.003 0.000 0.805 812 A HN 0.361 nan 8.150 nan 0.000 0.449 813 A N -1.955 120.835 122.820 -0.050 0.000 2.208 813 A HA 0.401 4.721 4.320 -0.000 0.000 0.209 813 A C 1.828 179.356 177.584 -0.095 0.000 1.161 813 A CA 1.235 53.245 52.037 -0.044 0.000 0.782 813 A CB -0.815 18.085 19.000 -0.167 0.000 0.816 813 A HN 1.872 nan 8.150 nan 0.000 0.477 814 G N -1.541 107.088 108.800 -0.286 0.000 2.143 814 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.249 814 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.249 814 G C 0.582 175.474 174.900 -0.013 0.000 0.981 814 G CA 0.673 45.374 45.100 -0.664 0.000 0.665 814 G HN 0.744 nan 8.290 nan 0.000 0.528 815 H N -1.479 117.592 119.070 0.001 0.000 2.387 815 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 815 H C 2.169 177.474 175.328 -0.039 0.000 1.099 815 H CA 1.643 57.708 56.048 0.028 0.000 1.315 815 H CB 0.079 29.821 29.762 -0.034 0.000 1.380 815 H HN 0.613 nan 8.280 nan 0.000 0.513 816 Y N 0.314 120.733 120.300 0.198 0.000 2.519 816 Y HA -0.070 4.480 4.550 -0.000 0.000 0.287 816 Y C 2.017 177.993 175.900 0.128 0.000 1.128 816 Y CA 0.292 58.470 58.100 0.129 0.000 1.282 816 Y CB 0.452 38.975 38.460 0.105 0.000 1.027 816 Y HN 0.195 nan 8.280 nan 0.000 0.551 817 Q N -0.164 119.790 119.800 0.256 0.000 2.350 817 Q HA 0.301 4.641 4.340 -0.000 0.000 0.225 817 Q C 0.927 177.102 176.000 0.291 0.000 0.878 817 Q CA 0.295 56.243 55.803 0.242 0.000 0.935 817 Q CB -0.069 28.804 28.738 0.224 0.000 1.099 817 Q HN 0.266 nan 8.270 nan 0.000 0.527 818 A N 2.275 125.283 122.820 0.313 0.000 2.603 818 A HA -0.031 4.289 4.320 -0.000 0.000 0.235 818 A C -0.084 177.794 177.584 0.491 0.000 1.035 818 A CA 0.549 52.839 52.037 0.423 0.000 0.755 818 A CB 0.011 19.303 19.000 0.487 0.000 0.954 818 A HN 0.157 nan 8.150 nan 0.000 0.511 819 E N 1.024 121.445 120.200 0.368 0.000 2.179 819 E HA 0.512 4.862 4.350 -0.000 0.000 0.275 819 E C -0.183 176.397 176.600 -0.033 0.000 0.945 819 E CA -0.628 55.909 56.400 0.229 0.000 0.792 819 E CB 1.835 31.624 29.700 0.148 0.000 1.125 819 E HN 0.789 nan 8.360 nan 0.000 0.397 820 A N 2.178 124.868 122.820 -0.215 0.000 2.409 820 A HA 0.518 4.838 4.320 -0.000 0.000 0.267 820 A C -0.212 177.204 177.584 -0.280 0.000 1.127 820 A CA -0.261 51.331 52.037 -0.742 0.000 0.795 820 A CB 0.319 19.020 19.000 -0.499 0.000 1.061 820 A HN 0.599 nan 8.150 nan 0.000 0.502 821 A N 2.912 125.557 122.820 -0.292 0.000 2.287 821 A HA 0.575 4.895 4.320 -0.000 0.000 0.317 821 A C -0.395 177.080 177.584 -0.182 0.000 1.220 821 A CA -0.558 51.392 52.037 -0.146 0.000 0.835 821 A CB 0.419 19.361 19.000 -0.097 0.000 1.180 821 A HN 1.188 nan 8.150 nan 0.000 0.500 822 L N 3.297 124.401 121.223 -0.198 0.000 2.410 822 L HA 0.304 4.644 4.340 -0.000 0.000 0.273 822 L C 0.444 177.165 176.870 -0.249 0.000 1.144 822 L CA 0.358 54.977 54.840 -0.369 0.000 0.863 822 L CB 0.253 42.120 42.059 -0.320 0.000 1.140 822 L HN 0.774 nan 8.230 nan 0.000 0.463 823 L N 3.455 124.520 121.223 -0.263 0.000 2.470 823 L HA 0.327 4.667 4.340 -0.000 0.000 0.219 823 L C 0.415 177.215 176.870 -0.118 0.000 1.071 823 L CA 0.047 54.805 54.840 -0.138 0.000 0.850 823 L CB 0.083 42.094 42.059 -0.081 0.000 1.040 823 L HN 0.736 nan 8.230 nan 0.000 0.475 824 Q N -0.403 119.300 119.800 -0.161 0.000 2.438 824 Q HA 0.313 4.653 4.340 -0.000 0.000 0.272 824 Q C -2.054 173.889 176.000 -0.096 0.000 0.994 824 Q CA -0.543 55.204 55.803 -0.093 0.000 0.887 824 Q CB 2.872 31.584 28.738 -0.043 0.000 1.432 824 Q HN 0.043 nan 8.270 nan 0.000 0.392 825 C N 3.335 122.623 119.300 -0.020 0.000 2.892 825 C HA 0.731 5.191 4.460 -0.000 0.000 0.360 825 C C -0.887 174.218 174.990 0.192 0.000 1.054 825 C CA 0.444 59.498 59.018 0.061 0.000 1.326 825 C CB 0.355 28.114 27.740 0.033 0.000 1.806 825 C HN 0.811 nan 8.230 nan 0.000 0.490 826 T N 2.287 116.912 114.554 0.118 0.000 2.916 826 T HA 0.905 5.255 4.350 -0.000 0.000 0.292 826 T C -0.457 174.072 174.700 -0.286 0.000 1.055 826 T CA -0.326 61.796 62.100 0.037 0.000 1.009 826 T CB 1.975 70.832 68.868 -0.019 0.000 1.118 826 T HN 1.620 nan 8.240 nan 0.000 0.497 827 A N 1.602 124.065 122.820 -0.595 0.000 2.356 827 A HA 0.738 5.058 4.320 -0.000 0.000 0.310 827 A C -1.183 176.137 177.584 -0.440 0.000 1.075 827 A CA -0.748 50.805 52.037 -0.807 0.000 0.746 827 A CB 1.182 19.176 19.000 -1.676 0.000 1.221 827 A HN 0.858 nan 8.150 nan 0.000 0.443 828 D N 1.074 121.281 120.400 -0.322 0.000 2.738 828 D HA 0.489 5.129 4.640 -0.000 0.000 0.237 828 D C -0.932 175.256 176.300 -0.187 0.000 1.123 828 D CA 0.018 53.893 54.000 -0.207 0.000 0.856 828 D CB 2.331 43.044 40.800 -0.145 0.000 1.552 828 D HN 0.384 nan 8.370 nan 0.000 0.480 829 T N 1.986 116.451 114.554 -0.148 0.000 2.749 829 T HA 0.430 4.780 4.350 -0.000 0.000 0.287 829 T C 0.670 175.314 174.700 -0.093 0.000 0.970 829 T CA -0.426 61.597 62.100 -0.128 0.000 0.980 829 T CB 0.702 69.496 68.868 -0.125 0.000 0.924 829 T HN 0.083 nan 8.240 nan 0.000 0.456 830 L N 1.583 122.756 121.223 -0.084 0.000 2.544 830 L HA 0.566 4.906 4.340 -0.000 0.000 0.256 830 L C 2.022 178.863 176.870 -0.049 0.000 1.097 830 L CA -0.974 53.829 54.840 -0.061 0.000 0.812 830 L CB 0.212 42.237 42.059 -0.058 0.000 1.440 830 L HN 0.682 nan 8.230 nan 0.000 0.496 831 A N 0.312 123.110 122.820 -0.037 0.000 1.902 831 A HA -0.158 4.161 4.320 -0.000 0.000 0.217 831 A C 1.261 178.830 177.584 -0.025 0.000 1.181 831 A CA 1.961 53.981 52.037 -0.028 0.000 0.623 831 A CB -0.423 18.564 19.000 -0.023 0.000 0.818 831 A HN 0.896 nan 8.150 nan 0.000 0.443 832 D N -2.383 118.000 120.400 -0.028 0.000 2.503 832 D HA 0.527 5.167 4.640 -0.000 0.000 0.218 832 D C 0.122 176.404 176.300 -0.030 0.000 1.183 832 D CA 0.742 54.729 54.000 -0.023 0.000 0.827 832 D CB 0.043 40.830 40.800 -0.021 0.000 1.034 832 D HN 0.448 nan 8.370 nan 0.000 0.510 833 A N -0.410 122.382 122.820 -0.046 0.000 2.581 833 A HA 0.608 4.928 4.320 -0.000 0.000 0.290 833 A C -1.720 175.809 177.584 -0.091 0.000 1.119 833 A CA -0.679 51.318 52.037 -0.067 0.000 0.670 833 A CB 1.583 20.543 19.000 -0.068 0.000 1.280 833 A HN -0.016 nan 8.150 nan 0.000 0.425 834 V N 0.707 120.548 119.914 -0.121 0.000 2.459 834 V HA 0.583 4.703 4.120 -0.000 0.000 0.295 834 V C -0.965 175.025 176.094 -0.173 0.000 1.029 834 V CA -0.414 61.793 62.300 -0.155 0.000 0.874 834 V CB 1.309 33.034 31.823 -0.162 0.000 0.985 834 V HN 0.793 nan 8.190 nan 0.000 0.438 835 L N 6.767 127.879 121.223 -0.185 0.000 2.298 835 L HA 0.619 4.959 4.340 -0.000 0.000 0.284 835 L C -0.704 176.022 176.870 -0.239 0.000 1.013 835 L CA 0.043 54.783 54.840 -0.168 0.000 0.824 835 L CB 1.099 43.087 42.059 -0.118 0.000 1.221 835 L HN 0.400 nan 8.230 nan 0.000 0.418 836 I N 4.229 124.651 120.570 -0.246 0.000 2.377 836 I HA 0.414 4.584 4.170 -0.000 0.000 0.293 836 I C -0.020 176.062 176.117 -0.058 0.000 0.987 836 I CA -0.227 60.877 61.300 -0.327 0.000 1.185 836 I CB 1.491 39.022 38.000 -0.781 0.000 1.341 836 I HN 0.551 nan 8.210 nan 0.000 0.455 837 T N 4.850 119.374 114.554 -0.049 0.000 2.812 837 T HA 0.628 4.978 4.350 -0.000 0.000 0.282 837 T C 0.189 174.938 174.700 0.082 0.000 0.990 837 T CA -0.555 61.570 62.100 0.042 0.000 0.960 837 T CB 1.799 70.667 68.868 -0.000 0.000 0.948 837 T HN 0.778 nan 8.240 nan 0.000 0.438 838 T N -0.542 114.106 114.554 0.156 0.000 2.901 838 T HA 0.886 5.236 4.350 -0.000 0.000 0.293 838 T C -1.205 173.566 174.700 0.118 0.000 1.084 838 T CA -1.114 61.065 62.100 0.131 0.000 1.008 838 T CB 2.058 71.094 68.868 0.280 0.000 1.170 838 T HN 0.807 nan 8.240 nan 0.000 0.509 839 A N 1.426 124.234 122.820 -0.020 0.000 2.465 839 A HA 0.717 5.037 4.320 -0.000 0.000 0.292 839 A C -1.497 175.989 177.584 -0.164 0.000 1.041 839 A CA -0.774 51.282 52.037 0.033 0.000 0.718 839 A CB 0.766 19.776 19.000 0.016 0.000 1.266 839 A HN 0.990 nan 8.150 nan 0.000 0.403 840 H N 0.295 119.403 119.070 0.064 0.000 2.747 840 H HA 0.807 5.363 4.556 -0.000 0.000 0.371 840 H C -0.029 175.298 175.328 -0.001 0.000 1.161 840 H CA 0.236 56.229 56.048 -0.092 0.000 1.167 840 H CB 2.161 31.744 29.762 -0.297 0.000 1.732 840 H HN 0.992 nan 8.280 nan 0.000 0.544 841 A N 1.951 124.761 122.820 -0.017 0.000 2.343 841 A HA 0.370 4.690 4.320 -0.000 0.000 0.308 841 A C -1.371 176.202 177.584 -0.019 0.000 1.092 841 A CA -0.699 51.388 52.037 0.083 0.000 0.751 841 A CB 0.960 19.985 19.000 0.042 0.000 1.203 841 A HN 0.572 nan 8.150 nan 0.000 0.452 842 W N 2.416 123.816 121.300 0.167 0.000 2.349 842 W HA 0.421 5.081 4.660 -0.000 0.000 0.309 842 W C -0.263 176.274 176.519 0.030 0.000 1.083 842 W CA -0.036 57.404 57.345 0.158 0.000 1.224 842 W CB 1.535 31.152 29.460 0.262 0.000 1.256 842 W HN 0.762 nan 8.180 nan 0.000 0.461 843 Q N 1.291 121.212 119.800 0.201 0.000 2.458 843 Q HA 0.392 4.732 4.340 -0.000 0.000 0.282 843 Q C -1.308 174.821 176.000 0.216 0.000 1.106 843 Q CA -1.018 54.869 55.803 0.139 0.000 0.814 843 Q CB 3.269 32.051 28.738 0.074 0.000 1.425 843 Q HN 0.378 nan 8.270 nan 0.000 0.437 844 H N 0.630 119.740 119.070 0.066 0.000 3.181 844 H HA 0.137 4.693 4.556 -0.000 0.000 0.331 844 H C -1.355 174.007 175.328 0.057 0.000 0.988 844 H CA -0.186 55.911 56.048 0.082 0.000 1.449 844 H CB 0.621 30.445 29.762 0.103 0.000 1.749 844 H HN 0.654 nan 8.280 nan 0.000 0.501 845 Q N 3.884 123.487 119.800 -0.327 0.000 2.453 845 Q HA -0.225 4.115 4.340 -0.000 0.000 0.330 845 Q C 0.983 176.930 176.000 -0.089 0.000 1.417 845 Q CA 1.047 56.705 55.803 -0.243 0.000 0.902 845 Q CB -1.679 26.850 28.738 -0.348 0.000 1.154 845 Q HN 1.310 nan 8.270 nan 0.000 0.395 846 G N -0.305 108.470 108.800 -0.043 0.000 2.189 846 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.267 846 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.267 846 G C 0.056 174.959 174.900 0.004 0.000 0.975 846 G CA 0.820 45.912 45.100 -0.013 0.000 0.644 846 G HN 0.394 nan 8.290 nan 0.000 0.537 847 K N 1.454 121.864 120.400 0.017 0.000 2.265 847 K HA 0.624 4.944 4.320 -0.000 0.000 0.267 847 K C 0.062 176.676 176.600 0.023 0.000 0.994 847 K CA -0.316 55.988 56.287 0.028 0.000 0.860 847 K CB 0.844 33.374 32.500 0.049 0.000 1.099 847 K HN -0.016 nan 8.250 nan 0.000 0.448 848 T N 6.437 120.994 114.554 0.005 0.000 2.727 848 T HA 0.194 4.544 4.350 -0.000 0.000 0.295 848 T C 1.190 175.830 174.700 -0.100 0.000 0.915 848 T CA -0.301 61.794 62.100 -0.009 0.000 1.066 848 T CB 0.231 69.109 68.868 0.018 0.000 0.891 848 T HN 0.525 nan 8.240 nan 0.000 0.516 849 L N 2.446 123.517 121.223 -0.255 0.000 2.084 849 L HA 0.273 4.613 4.340 -0.000 0.000 0.202 849 L C -0.077 176.268 176.870 -0.875 0.000 1.074 849 L CA 0.992 55.394 54.840 -0.730 0.000 0.757 849 L CB -0.009 41.263 42.059 -1.311 0.000 0.918 849 L HN 0.494 nan 8.230 nan 0.000 0.444 850 F N -1.188 118.716 119.950 -0.077 0.000 2.599 850 F HA 0.587 5.114 4.527 -0.000 0.000 0.311 850 F C -0.417 175.474 175.800 0.150 0.000 1.076 850 F CA -1.002 56.905 58.000 -0.155 0.000 0.937 850 F CB 1.535 40.041 39.000 -0.822 0.000 1.282 850 F HN -0.302 nan 8.300 nan 0.000 0.460 851 I N 1.392 122.181 120.570 0.365 0.000 2.499 851 I HA 0.368 4.538 4.170 -0.000 0.000 0.288 851 I C -0.831 175.547 176.117 0.435 0.000 1.048 851 I CA -0.541 60.989 61.300 0.382 0.000 1.062 851 I CB 2.182 40.321 38.000 0.232 0.000 1.238 851 I HN 0.577 nan 8.210 nan 0.000 0.426 852 S N 6.969 123.017 115.700 0.579 0.000 2.498 852 S HA 0.553 5.023 4.470 -0.000 0.000 0.317 852 S C -0.626 174.216 174.600 0.403 0.000 1.090 852 S CA -0.675 57.850 58.200 0.542 0.000 1.089 852 S CB 0.625 64.300 63.200 0.792 0.000 0.997 852 S HN 0.542 nan 8.310 nan 0.000 0.470 853 R N 3.745 124.407 120.500 0.271 0.000 2.343 853 R HA 0.523 4.863 4.340 -0.000 0.000 0.320 853 R C -0.692 175.690 176.300 0.137 0.000 0.956 853 R CA -0.691 55.526 56.100 0.195 0.000 0.836 853 R CB 1.690 32.076 30.300 0.143 0.000 1.151 853 R HN 0.567 nan 8.270 nan 0.000 0.450 854 K N 0.851 121.334 120.400 0.138 0.000 2.444 854 K HA 0.495 4.815 4.320 -0.000 0.000 0.252 854 K C -0.705 175.902 176.600 0.013 0.000 0.993 854 K CA -0.946 55.353 56.287 0.021 0.000 0.847 854 K CB 2.512 35.005 32.500 -0.012 0.000 1.340 854 K HN 0.592 nan 8.250 nan 0.000 0.446 855 T N -1.395 113.086 114.554 -0.123 0.000 2.916 855 T HA 0.499 4.849 4.350 -0.000 0.000 0.298 855 T C -1.371 173.229 174.700 -0.167 0.000 1.031 855 T CA -0.759 61.313 62.100 -0.046 0.000 0.993 855 T CB 0.409 69.263 68.868 -0.025 0.000 1.045 855 T HN 0.395 nan 8.240 nan 0.000 0.454 856 Y N 1.307 121.585 120.300 -0.037 0.000 2.328 856 Y HA 0.618 5.168 4.550 -0.000 0.000 0.333 856 Y C 0.574 176.411 175.900 -0.105 0.000 0.958 856 Y CA -1.104 56.985 58.100 -0.018 0.000 1.167 856 Y CB 1.782 40.259 38.460 0.029 0.000 1.151 856 Y HN 0.645 nan 8.280 nan 0.000 0.470 857 R N 4.656 125.177 120.500 0.035 0.000 2.320 857 R HA 0.591 4.931 4.340 -0.000 0.000 0.319 857 R C -1.529 174.716 176.300 -0.092 0.000 0.969 857 R CA -0.340 55.735 56.100 -0.041 0.000 0.857 857 R CB 0.411 30.694 30.300 -0.028 0.000 1.160 857 R HN 0.755 nan 8.270 nan 0.000 0.491 858 I N 4.930 125.390 120.570 -0.184 0.000 2.321 858 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 858 I C -0.224 175.772 176.117 -0.203 0.000 0.998 858 I CA -0.687 60.424 61.300 -0.315 0.000 1.227 858 I CB 1.441 39.068 38.000 -0.623 0.000 1.368 858 I HN 0.675 nan 8.210 nan 0.000 0.466 859 D N 3.889 124.208 120.400 -0.136 0.000 2.569 859 D HA 0.319 4.959 4.640 -0.000 0.000 0.266 859 D C 1.283 177.571 176.300 -0.021 0.000 1.164 859 D CA -0.697 53.266 54.000 -0.062 0.000 1.071 859 D CB 0.775 41.559 40.800 -0.028 0.000 1.183 859 D HN 0.437 nan 8.370 nan 0.000 0.613 860 G N -1.230 107.577 108.800 0.013 0.000 2.498 860 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 860 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 860 G C 1.240 176.184 174.900 0.074 0.000 1.119 860 G CA 1.023 46.154 45.100 0.051 0.000 0.766 860 G HN 0.539 nan 8.290 nan 0.000 0.552 861 S N -0.809 114.928 115.700 0.062 0.000 2.562 861 S HA 0.341 4.811 4.470 -0.000 0.000 0.221 861 S C 1.896 176.565 174.600 0.115 0.000 0.975 861 S CA 0.986 59.234 58.200 0.080 0.000 0.918 861 S CB -0.085 63.154 63.200 0.065 0.000 0.772 861 S HN 1.474 nan 8.310 nan 0.000 0.531 862 G N 0.452 109.334 108.800 0.135 0.000 2.157 862 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.248 862 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.248 862 G C -0.228 174.815 174.900 0.239 0.000 0.979 862 G CA 0.066 45.322 45.100 0.261 0.000 0.650 862 G HN 0.625 nan 8.290 nan 0.000 0.529 863 Q N -0.300 119.569 119.800 0.115 0.000 2.243 863 Q HA 0.643 4.983 4.340 -0.000 0.000 0.252 863 Q C 0.203 176.219 176.000 0.026 0.000 0.909 863 Q CA -0.263 55.610 55.803 0.117 0.000 0.922 863 Q CB 1.634 30.433 28.738 0.103 0.000 1.215 863 Q HN 0.446 nan 8.270 nan 0.000 0.427 864 M N 2.115 121.767 119.600 0.088 0.000 2.066 864 M HA 0.502 4.982 4.480 -0.000 0.000 0.340 864 M C -1.315 175.070 176.300 0.141 0.000 1.053 864 M CA -0.500 54.819 55.300 0.032 0.000 0.983 864 M CB 0.906 33.532 32.600 0.044 0.000 1.520 864 M HN 0.712 nan 8.290 nan 0.000 0.428 865 A N 7.158 130.027 122.820 0.082 0.000 2.269 865 A HA 0.628 4.948 4.320 -0.000 0.000 0.302 865 A C -0.712 176.899 177.584 0.045 0.000 1.266 865 A CA -0.582 51.506 52.037 0.085 0.000 0.894 865 A CB -0.041 18.991 19.000 0.054 0.000 1.147 865 A HN 0.926 nan 8.150 nan 0.000 0.537 866 I N 2.559 123.151 120.570 0.036 0.000 2.339 866 I HA 0.312 4.482 4.170 -0.000 0.000 0.290 866 I C -0.079 175.947 176.117 -0.152 0.000 0.994 866 I CA -0.144 61.081 61.300 -0.126 0.000 1.191 866 I CB 2.004 39.953 38.000 -0.084 0.000 1.343 866 I HN 0.486 nan 8.210 nan 0.000 0.458 867 T N 5.823 120.248 114.554 -0.215 0.000 2.779 867 T HA 0.552 4.902 4.350 -0.000 0.000 0.280 867 T C -0.312 174.208 174.700 -0.300 0.000 0.987 867 T CA -0.476 61.504 62.100 -0.200 0.000 0.966 867 T CB 1.847 70.693 68.868 -0.037 0.000 0.933 867 T HN 0.204 nan 8.240 nan 0.000 0.442 868 V N 3.598 123.206 119.914 -0.511 0.000 2.588 868 V HA 0.495 4.615 4.120 -0.000 0.000 0.304 868 V C -0.791 175.133 176.094 -0.284 0.000 1.042 868 V CA -0.906 61.101 62.300 -0.489 0.000 0.877 868 V CB 2.066 33.309 31.823 -0.967 0.000 0.996 868 V HN 0.852 nan 8.190 nan 0.000 0.425 869 D N 3.350 123.749 120.400 -0.002 0.000 2.549 869 D HA 0.504 5.144 4.640 -0.000 0.000 0.251 869 D C -0.999 175.420 176.300 0.199 0.000 1.153 869 D CA -0.105 53.988 54.000 0.155 0.000 0.861 869 D CB 2.708 43.620 40.800 0.186 0.000 1.207 869 D HN 0.253 nan 8.370 nan 0.000 0.543 870 V N 2.268 122.337 119.914 0.259 0.000 2.581 870 V HA 0.304 4.424 4.120 -0.000 0.000 0.303 870 V C 0.130 176.377 176.094 0.256 0.000 1.041 870 V CA -0.699 61.777 62.300 0.293 0.000 0.907 870 V CB 2.420 34.460 31.823 0.361 0.000 0.994 870 V HN 0.352 nan 8.190 nan 0.000 0.442 871 E N 2.565 122.905 120.200 0.233 0.000 2.171 871 E HA 0.601 4.951 4.350 -0.000 0.000 0.271 871 E C -1.514 175.214 176.600 0.213 0.000 0.916 871 E CA -0.548 55.966 56.400 0.189 0.000 0.774 871 E CB 2.489 32.281 29.700 0.152 0.000 1.128 871 E HN 0.413 nan 8.360 nan 0.000 0.403 872 V N 2.288 122.331 119.914 0.216 0.000 2.444 872 V HA 0.343 4.463 4.120 -0.000 0.000 0.294 872 V C 0.104 176.303 176.094 0.175 0.000 1.022 872 V CA -0.943 61.511 62.300 0.257 0.000 0.850 872 V CB 1.456 33.473 31.823 0.322 0.000 0.992 872 V HN 0.833 nan 8.190 nan 0.000 0.426 873 A N 3.649 126.528 122.820 0.099 0.000 2.566 873 A HA 0.226 4.546 4.320 -0.000 0.000 0.245 873 A C 1.651 179.311 177.584 0.127 0.000 1.056 873 A CA 0.649 52.731 52.037 0.074 0.000 0.757 873 A CB 0.164 19.171 19.000 0.012 0.000 0.979 873 A HN 1.373 nan 8.150 nan 0.000 0.508 874 S N 1.548 117.320 115.700 0.120 0.000 2.440 874 S HA -0.165 4.305 4.470 -0.000 0.000 0.238 874 S C 0.923 175.605 174.600 0.138 0.000 1.010 874 S CA 1.332 59.622 58.200 0.149 0.000 0.972 874 S CB -0.248 63.017 63.200 0.109 0.000 0.774 874 S HN 0.834 nan 8.310 nan 0.000 0.501 875 D N 0.134 120.589 120.400 0.092 0.000 2.342 875 D HA 0.107 4.747 4.640 -0.000 0.000 0.221 875 D C 0.327 176.662 176.300 0.059 0.000 1.101 875 D CA -0.033 54.004 54.000 0.062 0.000 0.837 875 D CB -0.106 40.718 40.800 0.041 0.000 0.938 875 D HN 0.302 nan 8.370 nan 0.000 0.508 876 T N 1.909 116.525 114.554 0.104 0.000 2.902 876 T HA 0.369 4.719 4.350 -0.000 0.000 0.283 876 T C -2.626 172.185 174.700 0.185 0.000 1.009 876 T CA -1.884 60.304 62.100 0.147 0.000 1.051 876 T CB 1.648 70.629 68.868 0.188 0.000 0.999 876 T HN -0.110 nan 8.240 nan 0.000 0.474 877 P HA 0.056 nan 4.420 nan 0.000 0.266 877 P C -0.498 177.115 177.300 0.521 0.000 1.195 877 P CA -0.184 63.029 63.100 0.190 0.000 0.768 877 P CB 0.234 32.022 31.700 0.147 0.000 0.838 878 H N 3.302 122.748 119.070 0.627 0.000 3.070 878 H HA 0.051 4.607 4.556 -0.000 0.000 0.313 878 H C -1.638 174.027 175.328 0.560 0.000 0.997 878 H CA -1.444 54.905 56.048 0.502 0.000 1.438 878 H CB -0.851 29.139 29.762 0.380 0.000 1.455 878 H HN 0.388 nan 8.280 nan 0.000 0.575 879 P HA 0.035 nan 4.420 nan 0.000 0.271 879 P C 0.345 177.505 177.300 -0.233 0.000 1.218 879 P CA -0.218 62.890 63.100 0.014 0.000 0.780 879 P CB 0.821 32.386 31.700 -0.225 0.000 0.901 880 A N 3.721 126.135 122.820 -0.677 0.000 2.067 880 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 880 A C 1.051 178.230 177.584 -0.676 0.000 1.158 880 A CA 1.224 52.839 52.037 -0.704 0.000 0.661 880 A CB -0.537 17.812 19.000 -1.085 0.000 0.801 880 A HN 0.768 nan 8.150 nan 0.000 0.452 881 R N -2.879 117.264 120.500 -0.594 0.000 2.728 881 R HA 0.697 5.037 4.340 -0.000 0.000 0.274 881 R C -1.676 174.370 176.300 -0.423 0.000 1.032 881 R CA -0.764 55.016 56.100 -0.534 0.000 0.866 881 R CB 0.647 30.592 30.300 -0.591 0.000 1.263 881 R HN -0.013 nan 8.270 nan 0.000 0.475 882 I N 1.290 121.654 120.570 -0.343 0.000 2.517 882 I HA 0.683 4.852 4.170 -0.000 0.000 0.280 882 I C -0.350 175.550 176.117 -0.360 0.000 1.061 882 I CA -0.355 60.771 61.300 -0.289 0.000 1.091 882 I CB 1.810 39.722 38.000 -0.146 0.000 1.205 882 I HN 0.974 nan 8.210 nan 0.000 0.459 883 G N 5.752 114.276 108.800 -0.460 0.000 2.650 883 G HA2 0.732 4.692 3.960 -0.000 0.000 0.310 883 G HA3 0.732 4.692 3.960 -0.000 0.000 0.310 883 G C -1.659 173.055 174.900 -0.310 0.000 1.270 883 G CA -0.588 44.264 45.100 -0.413 0.000 0.810 883 G HN 0.260 nan 8.290 nan 0.000 0.493 884 L N 0.783 121.871 121.223 -0.226 0.000 2.309 884 L HA 0.685 5.025 4.340 -0.000 0.000 0.261 884 L C -0.741 176.011 176.870 -0.197 0.000 1.021 884 L CA -1.143 53.596 54.840 -0.168 0.000 0.823 884 L CB 2.448 44.494 42.059 -0.022 0.000 1.366 884 L HN 0.805 nan 8.230 nan 0.000 0.423 885 N N 0.535 119.150 118.700 -0.141 0.000 2.598 885 N HA 0.631 5.371 4.740 -0.000 0.000 0.263 885 N C -1.360 174.155 175.510 0.009 0.000 1.254 885 N CA -0.516 52.486 53.050 -0.081 0.000 0.863 885 N CB 2.314 40.759 38.487 -0.070 0.000 1.586 885 N HN 0.857 nan 8.380 nan 0.000 0.491 886 C N -0.734 118.596 119.300 0.051 0.000 3.312 886 C HA 0.601 5.061 4.460 -0.000 0.000 0.332 886 C C -1.107 173.743 174.990 -0.233 0.000 1.340 886 C CA -0.838 58.168 59.018 -0.019 0.000 1.265 886 C CB 1.109 28.849 27.740 -0.001 0.000 1.563 886 C HN 0.853 nan 8.230 nan 0.000 0.471 887 Q N 1.340 120.769 119.800 -0.618 0.000 2.372 887 Q HA 0.661 5.001 4.340 -0.000 0.000 0.259 887 Q C -1.068 174.644 176.000 -0.480 0.000 0.993 887 Q CA -0.438 54.746 55.803 -1.032 0.000 0.854 887 Q CB 0.874 28.534 28.738 -1.796 0.000 1.231 887 Q HN 0.768 nan 8.270 nan 0.000 0.462 888 L N 2.603 123.656 121.223 -0.284 0.000 2.417 888 L HA 0.305 4.645 4.340 -0.000 0.000 0.268 888 L C 1.100 177.919 176.870 -0.084 0.000 1.158 888 L CA -0.221 54.581 54.840 -0.064 0.000 0.819 888 L CB 0.857 43.001 42.059 0.142 0.000 1.112 888 L HN 0.814 nan 8.230 nan 0.000 0.458 889 A N 1.777 124.576 122.820 -0.036 0.000 2.067 889 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 889 A C 1.017 178.597 177.584 -0.006 0.000 1.156 889 A CA 0.401 52.407 52.037 -0.051 0.000 0.683 889 A CB -0.193 18.771 19.000 -0.060 0.000 0.808 889 A HN 0.764 nan 8.150 nan 0.000 0.455 890 Q N -0.047 119.787 119.800 0.057 0.000 2.327 890 Q HA 0.442 4.782 4.340 -0.000 0.000 0.254 890 Q C -1.164 174.879 176.000 0.073 0.000 0.952 890 Q CA 0.277 56.098 55.803 0.031 0.000 0.884 890 Q CB 1.022 29.770 28.738 0.016 0.000 1.224 890 Q HN 0.090 nan 8.270 nan 0.000 0.422 891 V N 3.874 123.788 119.914 -0.000 0.000 2.398 891 V HA 0.714 4.834 4.120 -0.000 0.000 0.282 891 V C -0.504 175.568 176.094 -0.037 0.000 1.014 891 V CA -0.301 62.039 62.300 0.067 0.000 0.838 891 V CB 0.781 32.624 31.823 0.034 0.000 1.018 891 V HN 0.919 nan 8.190 nan 0.000 0.432 892 A N 3.261 126.004 122.820 -0.129 0.000 2.269 892 A HA 0.749 5.069 4.320 -0.000 0.000 0.327 892 A C 0.722 178.344 177.584 0.064 0.000 1.112 892 A CA -0.412 51.506 52.037 -0.198 0.000 0.865 892 A CB 1.000 19.635 19.000 -0.608 0.000 1.227 892 A HN 0.769 nan 8.150 nan 0.000 0.498 893 E N -0.293 119.930 120.200 0.039 0.000 2.276 893 E HA 0.036 4.386 4.350 -0.000 0.000 0.193 893 E C 0.017 176.696 176.600 0.131 0.000 0.983 893 E CA 0.378 56.827 56.400 0.081 0.000 0.861 893 E CB 0.220 29.944 29.700 0.040 0.000 0.817 893 E HN 0.394 nan 8.360 nan 0.000 0.485 894 R N 0.637 121.225 120.500 0.148 0.000 2.832 894 R HA 0.537 4.877 4.340 -0.000 0.000 0.271 894 R C -0.765 175.721 176.300 0.309 0.000 0.996 894 R CA -0.879 55.334 56.100 0.189 0.000 0.977 894 R CB 1.933 32.310 30.300 0.129 0.000 1.168 894 R HN -0.169 nan 8.270 nan 0.000 0.482 895 V N 2.187 122.291 119.914 0.316 0.000 2.482 895 V HA 0.331 4.451 4.120 -0.000 0.000 0.295 895 V C -0.381 175.989 176.094 0.459 0.000 1.026 895 V CA -0.925 61.602 62.300 0.379 0.000 0.856 895 V CB 1.851 33.844 31.823 0.283 0.000 1.001 895 V HN 0.640 nan 8.190 nan 0.000 0.424 896 N N 4.777 123.721 118.700 0.407 0.000 2.372 896 N HA 0.527 5.267 4.740 -0.000 0.000 0.285 896 N C -1.352 174.414 175.510 0.427 0.000 1.008 896 N CA -0.401 52.852 53.050 0.338 0.000 0.880 896 N CB 2.491 41.072 38.487 0.158 0.000 1.239 896 N HN 0.798 nan 8.380 nan 0.000 0.484 897 W N 3.447 124.799 121.300 0.086 0.000 3.167 897 W HA 0.570 5.230 4.660 -0.000 0.000 0.324 897 W C -2.044 174.460 176.519 -0.025 0.000 1.230 897 W CA -1.128 56.249 57.345 0.053 0.000 1.184 897 W CB 0.672 30.213 29.460 0.134 0.000 1.414 897 W HN 0.214 nan 8.180 nan 0.000 0.551 898 L N 4.483 125.694 121.223 -0.020 0.000 2.283 898 L HA 0.908 5.248 4.340 -0.000 0.000 0.281 898 L C 0.015 176.726 176.870 -0.265 0.000 1.033 898 L CA 0.318 54.955 54.840 -0.339 0.000 0.848 898 L CB 0.506 42.443 42.059 -0.203 0.000 1.226 898 L HN 0.973 nan 8.230 nan 0.000 0.429 899 G N 3.716 112.239 108.800 -0.461 0.000 2.348 899 G HA2 0.217 4.177 3.960 -0.000 0.000 0.296 899 G HA3 0.217 4.177 3.960 -0.000 0.000 0.296 899 G C -1.579 173.354 174.900 0.055 0.000 1.258 899 G CA -1.076 43.967 45.100 -0.095 0.000 0.868 899 G HN 0.413 nan 8.290 nan 0.000 0.488 900 L N 1.129 122.501 121.223 0.247 0.000 2.410 900 L HA 0.559 4.899 4.340 -0.000 0.000 0.273 900 L C 1.098 178.056 176.870 0.147 0.000 1.152 900 L CA 0.820 55.767 54.840 0.179 0.000 0.855 900 L CB 0.349 42.470 42.059 0.104 0.000 1.129 900 L HN 1.091 nan 8.230 nan 0.000 0.463 901 G N 3.139 111.824 108.800 -0.191 0.000 2.494 901 G HA2 0.294 4.254 3.960 -0.000 0.000 0.308 901 G HA3 0.294 4.254 3.960 -0.000 0.000 0.308 901 G C -2.694 171.393 174.900 -1.354 0.000 1.263 901 G CA -0.243 44.393 45.100 -0.774 0.000 0.840 901 G HN 0.330 nan 8.290 nan 0.000 0.479 902 P HA 0.073 nan 4.420 nan 0.000 0.235 902 P C 0.403 177.505 177.300 -0.330 0.000 1.177 902 P CA 0.550 62.992 63.100 -1.096 0.000 0.785 902 P CB 0.589 31.737 31.700 -0.920 0.000 0.885 903 Q N 0.680 120.272 119.800 -0.347 0.000 2.317 903 Q HA 0.129 4.469 4.340 -0.000 0.000 0.229 903 Q C 0.431 176.314 176.000 -0.195 0.000 0.984 903 Q CA -0.493 55.185 55.803 -0.207 0.000 0.911 903 Q CB 0.712 29.347 28.738 -0.172 0.000 1.217 903 Q HN 0.148 nan 8.270 nan 0.000 0.501 904 E N 1.591 121.684 120.200 -0.180 0.000 2.529 904 E HA -0.110 4.240 4.350 -0.000 0.000 0.259 904 E C -1.158 175.357 176.600 -0.141 0.000 0.966 904 E CA 0.265 56.547 56.400 -0.197 0.000 0.937 904 E CB 0.228 29.867 29.700 -0.102 0.000 0.923 904 E HN 0.595 nan 8.360 nan 0.000 0.468 905 N N 2.820 121.369 118.700 -0.252 0.000 2.308 905 N HA 0.323 5.063 4.740 -0.000 0.000 0.283 905 N C -1.882 173.421 175.510 -0.345 0.000 1.105 905 N CA -0.687 52.270 53.050 -0.155 0.000 0.840 905 N CB 0.764 39.173 38.487 -0.130 0.000 1.633 905 N HN 0.250 nan 8.380 nan 0.000 0.476 906 Y N 0.076 120.281 120.300 -0.159 0.000 2.598 906 Y HA 0.503 5.053 4.550 -0.000 0.000 0.340 906 Y C -1.623 174.198 175.900 -0.131 0.000 1.038 906 Y CA -2.048 55.947 58.100 -0.175 0.000 1.100 906 Y CB 1.777 40.130 38.460 -0.178 0.000 1.281 906 Y HN 0.445 nan 8.280 nan 0.000 0.488 907 P HA -0.219 nan 4.420 nan 0.000 0.217 907 P C 0.414 177.566 177.300 -0.246 0.000 1.158 907 P CA 2.375 65.500 63.100 0.042 0.000 0.887 907 P CB 0.182 32.007 31.700 0.207 0.000 0.792 908 D N -2.415 117.627 120.400 -0.596 0.000 2.325 908 D HA 0.006 4.646 4.640 -0.000 0.000 0.225 908 D C 0.638 176.780 176.300 -0.264 0.000 1.096 908 D CA 0.120 53.587 54.000 -0.888 0.000 0.844 908 D CB -0.313 39.755 40.800 -1.220 0.000 0.925 908 D HN 0.137 nan 8.370 nan 0.000 0.513 909 R N 1.011 121.456 120.500 -0.092 0.000 2.734 909 R HA 0.185 4.525 4.340 -0.000 0.000 0.242 909 R C -0.705 175.623 176.300 0.047 0.000 1.617 909 R CA -0.162 55.951 56.100 0.021 0.000 1.572 909 R CB 0.048 30.365 30.300 0.028 0.000 1.477 909 R HN 0.111 nan 8.270 nan 0.000 0.707 910 L N -1.629 119.629 121.223 0.059 0.000 3.520 910 L HA 0.324 4.664 4.340 -0.000 0.000 0.323 910 L C 1.330 178.256 176.870 0.094 0.000 1.246 910 L CA 0.187 55.060 54.840 0.056 0.000 1.085 910 L CB 0.122 42.204 42.059 0.037 0.000 1.477 910 L HN 0.109 nan 8.230 nan 0.000 0.624 911 T N -2.440 112.198 114.554 0.140 0.000 2.833 911 T HA -0.013 4.337 4.350 -0.000 0.000 0.269 911 T C 1.789 176.553 174.700 0.106 0.000 1.054 911 T CA 1.404 63.616 62.100 0.187 0.000 1.135 911 T CB -0.332 68.697 68.868 0.267 0.000 0.869 911 T HN 0.397 nan 8.240 nan 0.000 0.466 912 A N 1.747 124.619 122.820 0.086 0.000 2.016 912 A HA 0.631 4.951 4.320 -0.000 0.000 0.217 912 A C 1.683 179.326 177.584 0.099 0.000 1.162 912 A CA 0.578 52.602 52.037 -0.020 0.000 0.662 912 A CB -1.003 18.125 19.000 0.212 0.000 0.812 912 A HN 0.853 nan 8.150 nan 0.000 0.450 913 A N -1.063 121.776 122.820 0.031 0.000 2.445 913 A HA 0.426 4.746 4.320 -0.000 0.000 0.242 913 A C 0.056 177.654 177.584 0.023 0.000 1.075 913 A CA 0.018 52.034 52.037 -0.035 0.000 0.777 913 A CB -0.188 18.783 19.000 -0.048 0.000 1.013 913 A HN 0.498 nan 8.150 nan 0.000 0.493 914 C N 0.719 120.024 119.300 0.009 0.000 2.493 914 C HA 0.560 5.020 4.460 -0.000 0.000 0.326 914 C C -0.127 174.951 174.990 0.147 0.000 1.200 914 C CA -0.487 58.592 59.018 0.103 0.000 1.739 914 C CB 0.822 28.638 27.740 0.127 0.000 2.300 914 C HN 0.789 nan 8.230 nan 0.000 0.500 915 F N 3.680 123.468 119.950 -0.270 0.000 2.445 915 F HA 0.510 5.037 4.527 -0.000 0.000 0.359 915 F C 0.363 175.834 175.800 -0.549 0.000 1.101 915 F CA 1.127 58.810 58.000 -0.529 0.000 1.177 915 F CB 0.051 38.194 39.000 -1.428 0.000 1.110 915 F HN 0.640 nan 8.300 nan 0.000 0.522 916 D N 3.172 122.931 120.400 -1.069 0.000 2.827 916 D HA 0.125 4.764 4.640 -0.000 0.000 0.336 916 D C -1.705 173.711 176.300 -1.472 0.000 1.374 916 D CA -0.729 52.564 54.000 -1.179 0.000 0.794 916 D CB 1.320 41.404 40.800 -1.194 0.000 1.364 916 D HN 0.456 nan 8.370 nan 0.000 0.464 917 R N 0.900 120.636 120.500 -1.274 0.000 2.196 917 R HA 0.470 4.810 4.340 -0.000 0.000 0.340 917 R C -1.385 174.187 176.300 -1.213 0.000 1.043 917 R CA -0.077 55.427 56.100 -0.994 0.000 0.883 917 R CB -0.015 29.934 30.300 -0.585 0.000 1.078 917 R HN 0.258 nan 8.270 nan 0.000 0.462 918 W N 2.819 123.607 121.300 -0.853 0.000 2.627 918 W HA 0.415 5.074 4.660 -0.000 0.000 0.339 918 W C -0.387 175.742 176.519 -0.650 0.000 1.058 918 W CA -0.715 56.062 57.345 -0.946 0.000 1.223 918 W CB 1.701 30.130 29.460 -1.718 0.000 1.389 918 W HN 0.373 nan 8.180 nan 0.000 0.541 919 D N 2.985 123.338 120.400 -0.078 0.000 2.736 919 D HA 0.474 5.114 4.640 -0.000 0.000 0.243 919 D C -1.466 174.931 176.300 0.161 0.000 1.304 919 D CA -0.171 53.876 54.000 0.078 0.000 0.934 919 D CB 1.135 41.949 40.800 0.022 0.000 1.382 919 D HN 0.378 nan 8.370 nan 0.000 0.571 920 L N 3.429 124.824 121.223 0.286 0.000 2.376 920 L HA 0.574 4.914 4.340 -0.000 0.000 0.258 920 L C -2.294 174.694 176.870 0.196 0.000 1.013 920 L CA -2.043 52.936 54.840 0.232 0.000 0.822 920 L CB 2.881 45.112 42.059 0.285 0.000 1.388 920 L HN 0.179 nan 8.230 nan 0.000 0.413 921 P HA 0.021 nan 4.420 nan 0.000 0.275 921 P C 0.574 177.948 177.300 0.123 0.000 1.228 921 P CA -0.436 62.734 63.100 0.118 0.000 0.786 921 P CB 1.298 33.047 31.700 0.082 0.000 0.927 922 L N 3.583 124.882 121.223 0.127 0.000 2.089 922 L HA -0.251 4.089 4.340 -0.000 0.000 0.213 922 L C 2.384 179.293 176.870 0.065 0.000 1.079 922 L CA 2.780 57.678 54.840 0.097 0.000 0.758 922 L CB -1.574 40.553 42.059 0.112 0.000 0.891 922 L HN 0.492 nan 8.230 nan 0.000 0.433 923 S N -1.802 113.942 115.700 0.073 0.000 2.399 923 S HA -0.172 4.298 4.470 -0.000 0.000 0.231 923 S C 1.574 176.239 174.600 0.108 0.000 1.022 923 S CA 1.146 59.403 58.200 0.096 0.000 0.983 923 S CB -0.747 62.504 63.200 0.084 0.000 0.803 923 S HN 0.551 nan 8.310 nan 0.000 0.480 924 D N 1.034 121.475 120.400 0.068 0.000 2.363 924 D HA 0.108 4.748 4.640 -0.000 0.000 0.220 924 D C 1.115 177.412 176.300 -0.005 0.000 0.994 924 D CA 0.508 54.526 54.000 0.031 0.000 0.890 924 D CB -0.085 40.740 40.800 0.041 0.000 0.906 924 D HN 0.393 nan 8.370 nan 0.000 0.530 925 M N -0.391 119.214 119.600 0.008 0.000 2.495 925 M HA 0.053 4.533 4.480 -0.000 0.000 0.237 925 M C -0.051 176.237 176.300 -0.020 0.000 1.131 925 M CA -0.070 55.184 55.300 -0.076 0.000 1.032 925 M CB -0.762 31.780 32.600 -0.097 0.000 1.513 925 M HN -0.051 nan 8.290 nan 0.000 0.488 926 Y N 0.092 120.343 120.300 -0.082 0.000 2.350 926 Y HA 0.484 5.034 4.550 -0.000 0.000 0.338 926 Y C -0.748 175.105 175.900 -0.078 0.000 0.961 926 Y CA -0.998 57.078 58.100 -0.040 0.000 1.100 926 Y CB 1.232 39.726 38.460 0.057 0.000 1.179 926 Y HN -0.131 nan 8.280 nan 0.000 0.454 927 T N 9.284 123.386 114.554 -0.753 0.000 2.743 927 T HA 0.252 4.602 4.350 -0.000 0.000 0.292 927 T C -2.520 171.429 174.700 -1.251 0.000 0.972 927 T CA -1.449 60.132 62.100 -0.865 0.000 0.967 927 T CB 0.974 69.406 68.868 -0.725 0.000 0.926 927 T HN 0.483 nan 8.240 nan 0.000 0.459 928 P HA 0.038 nan 4.420 nan 0.000 0.238 928 P C -0.588 176.584 177.300 -0.214 0.000 1.714 928 P CA -0.315 62.402 63.100 -0.638 0.000 0.908 928 P CB -0.740 30.714 31.700 -0.411 0.000 1.893 929 Y N -0.432 119.809 120.300 -0.097 0.000 2.712 929 Y HA -0.107 4.443 4.550 -0.000 0.000 0.333 929 Y C 2.307 178.264 175.900 0.093 0.000 1.225 929 Y CA -0.407 57.694 58.100 0.002 0.000 1.499 929 Y CB 0.435 38.816 38.460 -0.132 0.000 1.288 929 Y HN -0.116 nan 8.280 nan 0.000 0.575 930 V N 3.505 123.640 119.914 0.368 0.000 2.332 930 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 930 V C 0.555 176.834 176.094 0.308 0.000 1.055 930 V CA 1.463 63.968 62.300 0.341 0.000 1.038 930 V CB -0.558 31.500 31.823 0.391 0.000 0.651 930 V HN 0.580 nan 8.190 nan 0.000 0.450 931 F N 2.969 122.980 119.950 0.101 0.000 2.350 931 F HA 0.514 5.041 4.527 -0.000 0.000 0.365 931 F C -2.431 173.382 175.800 0.022 0.000 1.122 931 F CA -3.748 54.256 58.000 0.007 0.000 1.139 931 F CB 0.588 39.498 39.000 -0.150 0.000 1.220 931 F HN -0.001 nan 8.300 nan 0.000 0.499 932 P HA 0.212 nan 4.420 nan 0.000 0.267 932 P C -0.984 175.957 177.300 -0.597 0.000 1.200 932 P CA 0.288 63.137 63.100 -0.418 0.000 0.772 932 P CB 0.952 32.446 31.700 -0.344 0.000 0.855 933 S N -0.024 115.518 115.700 -0.263 0.000 2.656 933 S HA 0.400 4.870 4.470 -0.000 0.000 0.265 933 S C -0.947 173.618 174.600 -0.058 0.000 1.132 933 S CA -1.016 57.072 58.200 -0.187 0.000 0.819 933 S CB 0.364 63.466 63.200 -0.164 0.000 1.119 933 S HN 0.343 nan 8.310 nan 0.000 0.476 934 E N 1.254 121.437 120.200 -0.028 0.000 2.502 934 E HA 0.387 4.737 4.350 -0.000 0.000 0.261 934 E C -0.153 176.490 176.600 0.071 0.000 0.974 934 E CA 0.912 57.331 56.400 0.031 0.000 0.936 934 E CB -0.195 29.548 29.700 0.072 0.000 0.926 934 E HN 0.838 nan 8.360 nan 0.000 0.459 935 N N 1.277 120.054 118.700 0.129 0.000 3.185 935 N HA 0.469 5.209 4.740 -0.000 0.000 0.238 935 N C 0.188 175.740 175.510 0.070 0.000 1.451 935 N CA -0.515 52.649 53.050 0.190 0.000 0.888 935 N CB 0.800 39.407 38.487 0.200 0.000 1.413 935 N HN 0.747 nan 8.380 nan 0.000 0.511 936 G N -1.300 107.502 108.800 0.003 0.000 2.184 936 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.264 936 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.264 936 G C -0.179 174.454 174.900 -0.445 0.000 0.975 936 G CA 0.448 45.432 45.100 -0.193 0.000 0.642 936 G HN 0.739 nan 8.290 nan 0.000 0.536 937 L N 0.084 120.969 121.223 -0.564 0.000 2.506 937 L HA 0.646 4.986 4.340 -0.000 0.000 0.281 937 L C 0.633 176.922 176.870 -0.969 0.000 1.228 937 L CA 0.470 54.744 54.840 -0.944 0.000 0.850 937 L CB 0.537 41.723 42.059 -1.454 0.000 1.110 937 L HN 0.255 nan 8.230 nan 0.000 0.496 938 R N 2.597 122.455 120.500 -1.070 0.000 2.532 938 R HA 0.493 4.833 4.340 -0.000 0.000 0.297 938 R C -1.029 174.923 176.300 -0.580 0.000 0.984 938 R CA -0.277 55.312 56.100 -0.851 0.000 0.884 938 R CB 1.383 30.961 30.300 -1.204 0.000 1.182 938 R HN 0.719 nan 8.270 nan 0.000 0.442 939 C N 0.315 119.420 119.300 -0.324 0.000 2.380 939 C HA 0.714 5.174 4.460 -0.000 0.000 0.393 939 C C 1.274 176.244 174.990 -0.032 0.000 1.284 939 C CA -0.047 58.864 59.018 -0.178 0.000 2.033 939 C CB 1.302 28.958 27.740 -0.141 0.000 2.165 939 C HN 1.023 nan 8.230 nan 0.000 0.540 940 G N 1.767 110.560 108.800 -0.011 0.000 2.390 940 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.299 940 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.299 940 G C -0.055 174.909 174.900 0.107 0.000 1.002 940 G CA 0.615 45.757 45.100 0.070 0.000 0.979 940 G HN 0.804 nan 8.290 nan 0.000 0.513 941 T N 0.038 114.532 114.554 -0.101 0.000 2.767 941 T HA 0.513 4.863 4.350 -0.000 0.000 0.288 941 T C 1.320 175.731 174.700 -0.481 0.000 0.963 941 T CA -0.649 61.342 62.100 -0.180 0.000 1.019 941 T CB 1.431 70.204 68.868 -0.158 0.000 0.923 941 T HN 0.226 nan 8.240 nan 0.000 0.468 942 R N 1.518 121.952 120.500 -0.111 0.000 2.254 942 R HA 0.284 4.624 4.340 -0.000 0.000 0.193 942 R C 0.537 176.866 176.300 0.048 0.000 0.929 942 R CA 0.208 56.291 56.100 -0.029 0.000 1.038 942 R CB 0.371 30.778 30.300 0.179 0.000 1.009 942 R HN 0.692 nan 8.270 nan 0.000 0.512 943 E N 0.543 120.787 120.200 0.073 0.000 2.304 943 E HA 0.347 4.697 4.350 -0.000 0.000 0.277 943 E C -1.824 174.917 176.600 0.236 0.000 0.898 943 E CA -0.688 55.827 56.400 0.190 0.000 0.764 943 E CB 1.522 31.302 29.700 0.133 0.000 1.216 943 E HN -0.095 nan 8.360 nan 0.000 0.419 944 L N 4.059 125.470 121.223 0.314 0.000 2.410 944 L HA 0.603 4.943 4.340 -0.000 0.000 0.270 944 L C -1.840 175.209 176.870 0.298 0.000 0.983 944 L CA -0.407 54.566 54.840 0.223 0.000 0.822 944 L CB 1.817 43.864 42.059 -0.020 0.000 1.285 944 L HN 0.489 nan 8.230 nan 0.000 0.409 945 N N 4.304 123.160 118.700 0.261 0.000 2.296 945 N HA 0.424 5.164 4.740 -0.000 0.000 0.294 945 N C -2.033 173.692 175.510 0.357 0.000 1.033 945 N CA -0.275 52.918 53.050 0.238 0.000 0.839 945 N CB 2.326 40.901 38.487 0.147 0.000 1.395 945 N HN 0.605 nan 8.380 nan 0.000 0.479 946 Y N 1.158 121.567 120.300 0.182 0.000 2.298 946 Y HA 0.386 4.936 4.550 -0.000 0.000 0.322 946 Y C 0.628 176.596 175.900 0.113 0.000 1.138 946 Y CA 0.119 58.335 58.100 0.193 0.000 1.127 946 Y CB 0.488 39.138 38.460 0.318 0.000 1.178 946 Y HN 0.855 nan 8.280 nan 0.000 0.428 947 G N 6.560 115.178 108.800 -0.303 0.000 2.622 947 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.307 947 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.307 947 G C -1.566 173.184 174.900 -0.251 0.000 1.226 947 G CA 0.248 45.140 45.100 -0.347 0.000 0.997 947 G HN 0.630 nan 8.290 nan 0.000 0.551 948 P HA 0.170 nan 4.420 nan 0.000 0.255 948 P C 0.046 177.121 177.300 -0.375 0.000 1.248 948 P CA 0.598 63.483 63.100 -0.359 0.000 0.807 948 P CB 0.082 31.537 31.700 -0.408 0.000 1.150 949 H N 0.500 119.475 119.070 -0.158 0.000 2.472 949 H HA 0.486 5.042 4.556 -0.000 0.000 0.335 949 H C -0.114 174.862 175.328 -0.586 0.000 1.136 949 H CA -0.021 55.776 56.048 -0.417 0.000 1.264 949 H CB 1.677 30.987 29.762 -0.753 0.000 1.486 949 H HN 0.097 nan 8.280 nan 0.000 0.517 950 Q N 2.345 121.777 119.800 -0.614 0.000 2.271 950 Q HA 0.215 4.555 4.340 -0.000 0.000 0.268 950 Q C -1.652 174.020 176.000 -0.546 0.000 1.021 950 Q CA -0.665 54.900 55.803 -0.396 0.000 0.802 950 Q CB 2.053 30.730 28.738 -0.102 0.000 1.282 950 Q HN 0.588 nan 8.270 nan 0.000 0.431 951 W N 4.170 125.404 121.300 -0.110 0.000 2.532 951 W HA 0.553 5.213 4.660 -0.000 0.000 0.321 951 W C -0.168 176.425 176.519 0.123 0.000 1.037 951 W CA -0.668 56.591 57.345 -0.143 0.000 1.220 951 W CB 1.805 30.979 29.460 -0.478 0.000 1.361 951 W HN 0.484 nan 8.180 nan 0.000 0.468 952 R N 0.883 121.603 120.500 0.367 0.000 2.740 952 R HA 0.801 5.141 4.340 -0.000 0.000 0.282 952 R C 0.290 176.847 176.300 0.429 0.000 0.969 952 R CA -0.424 55.902 56.100 0.376 0.000 0.918 952 R CB 2.335 32.772 30.300 0.228 0.000 1.175 952 R HN 0.744 nan 8.270 nan 0.000 0.464 953 G N 0.766 109.799 108.800 0.387 0.000 2.534 953 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.142 953 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.142 953 G C -1.752 173.248 174.900 0.167 0.000 1.178 953 G CA -0.401 44.898 45.100 0.331 0.000 1.037 953 G HN 0.508 nan 8.290 nan 0.000 0.474 954 D N 0.027 120.521 120.400 0.156 0.000 2.411 954 D HA 0.585 5.225 4.640 -0.000 0.000 0.239 954 D C -0.620 175.649 176.300 -0.051 0.000 1.307 954 D CA -0.461 53.514 54.000 -0.042 0.000 0.930 954 D CB 0.104 40.925 40.800 0.035 0.000 1.395 954 D HN 0.570 nan 8.370 nan 0.000 0.536 955 F N -0.233 119.701 119.950 -0.027 0.000 2.790 955 F HA 0.769 5.296 4.527 -0.000 0.000 0.337 955 F C -0.856 174.894 175.800 -0.084 0.000 1.163 955 F CA -0.994 56.926 58.000 -0.133 0.000 0.997 955 F CB 0.709 39.619 39.000 -0.150 0.000 1.437 955 F HN -0.158 nan 8.300 nan 0.000 0.512 956 Q N 1.256 121.142 119.800 0.143 0.000 2.351 956 Q HA 0.689 5.029 4.340 -0.000 0.000 0.273 956 Q C -1.231 174.854 176.000 0.142 0.000 1.077 956 Q CA -0.576 55.222 55.803 -0.007 0.000 0.843 956 Q CB 2.727 31.351 28.738 -0.190 0.000 1.367 956 Q HN 0.878 nan 8.270 nan 0.000 0.449 957 F N -1.358 118.461 119.950 -0.218 0.000 2.719 957 F HA 0.692 5.219 4.527 -0.000 0.000 0.309 957 F C -1.865 173.704 175.800 -0.386 0.000 1.138 957 F CA -1.082 56.746 58.000 -0.285 0.000 0.943 957 F CB 1.302 40.162 39.000 -0.233 0.000 1.304 957 F HN 0.590 nan 8.300 nan 0.000 0.445 958 N N 1.940 120.460 118.700 -0.301 0.000 2.329 958 N HA 0.754 5.494 4.740 -0.000 0.000 0.282 958 N C -2.134 173.305 175.510 -0.118 0.000 1.198 958 N CA -0.747 52.095 53.050 -0.347 0.000 0.790 958 N CB 2.654 40.962 38.487 -0.299 0.000 1.579 958 N HN 1.154 nan 8.380 nan 0.000 0.475 959 I N 0.322 120.813 120.570 -0.131 0.000 2.649 959 I HA 0.682 4.852 4.170 -0.000 0.000 0.289 959 I C -1.446 174.580 176.117 -0.152 0.000 1.222 959 I CA 0.022 61.221 61.300 -0.168 0.000 1.046 959 I CB 1.335 39.168 38.000 -0.278 0.000 1.272 959 I HN 1.056 nan 8.210 nan 0.000 0.425 960 S N 6.244 121.870 115.700 -0.124 0.000 2.703 960 S HA 0.533 5.003 4.470 -0.000 0.000 0.273 960 S C -0.168 174.316 174.600 -0.193 0.000 1.178 960 S CA -0.973 57.135 58.200 -0.154 0.000 0.838 960 S CB 1.665 64.821 63.200 -0.073 0.000 1.178 960 S HN 0.635 nan 8.310 nan 0.000 0.494 961 R N -0.230 119.979 120.500 -0.484 0.000 2.334 961 R HA 0.255 4.595 4.340 -0.000 0.000 0.220 961 R C -0.847 175.152 176.300 -0.501 0.000 0.917 961 R CA 0.307 56.113 56.100 -0.490 0.000 1.073 961 R CB -0.894 29.019 30.300 -0.646 0.000 1.056 961 R HN 0.667 nan 8.270 nan 0.000 0.506 962 Y N 0.459 120.727 120.300 -0.053 0.000 2.328 962 Y HA 0.222 4.772 4.550 -0.000 0.000 0.336 962 Y C 0.749 176.455 175.900 -0.323 0.000 0.960 962 Y CA -1.138 56.853 58.100 -0.183 0.000 1.134 962 Y CB 1.341 39.638 38.460 -0.271 0.000 1.166 962 Y HN -0.101 nan 8.280 nan 0.000 0.464 963 S N 1.624 117.004 115.700 -0.532 0.000 2.600 963 S HA 0.037 4.507 4.470 -0.000 0.000 0.265 963 S C 0.933 175.201 174.600 -0.554 0.000 1.325 963 S CA -0.729 56.778 58.200 -1.155 0.000 1.002 963 S CB 1.092 63.362 63.200 -1.550 0.000 0.921 963 S HN 0.725 nan 8.310 nan 0.000 0.554 964 Q N 0.627 120.118 119.800 -0.514 0.000 2.170 964 Q HA -0.197 4.143 4.340 -0.000 0.000 0.203 964 Q C 2.241 178.104 176.000 -0.229 0.000 0.976 964 Q CA 1.851 57.487 55.803 -0.278 0.000 0.858 964 Q CB -0.546 28.057 28.738 -0.225 0.000 0.907 964 Q HN 0.978 nan 8.270 nan 0.000 0.433 965 Q N 0.739 120.368 119.800 -0.286 0.000 2.020 965 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 965 Q C 2.155 178.059 176.000 -0.160 0.000 0.982 965 Q CA 1.681 57.376 55.803 -0.180 0.000 0.838 965 Q CB -0.031 28.604 28.738 -0.172 0.000 0.899 965 Q HN 0.395 nan 8.270 nan 0.000 0.423 966 Q N 0.019 119.698 119.800 -0.202 0.000 2.050 966 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 966 Q C 2.214 178.098 176.000 -0.193 0.000 0.980 966 Q CA 1.535 57.232 55.803 -0.177 0.000 0.840 966 Q CB -0.125 28.477 28.738 -0.228 0.000 0.898 966 Q HN 0.518 nan 8.270 nan 0.000 0.424 967 L N 0.091 121.189 121.223 -0.207 0.000 2.079 967 L HA -0.210 4.129 4.340 -0.000 0.000 0.210 967 L C 2.668 179.410 176.870 -0.213 0.000 1.081 967 L CA 1.135 55.845 54.840 -0.217 0.000 0.752 967 L CB -0.352 41.607 42.059 -0.167 0.000 0.896 967 L HN 0.412 nan 8.230 nan 0.000 0.433 968 M N -0.559 118.949 119.600 -0.154 0.000 2.319 968 M HA -0.143 4.337 4.480 -0.000 0.000 0.265 968 M C 1.506 177.749 176.300 -0.096 0.000 1.068 968 M CA 1.577 56.808 55.300 -0.114 0.000 1.118 968 M CB 0.165 32.721 32.600 -0.074 0.000 1.395 968 M HN 0.215 nan 8.290 nan 0.000 0.435 969 E N -0.943 119.201 120.200 -0.093 0.000 2.476 969 E HA 0.074 4.424 4.350 -0.000 0.000 0.199 969 E C -0.262 176.311 176.600 -0.045 0.000 1.021 969 E CA 0.045 56.414 56.400 -0.051 0.000 0.907 969 E CB 0.510 30.188 29.700 -0.036 0.000 0.974 969 E HN 0.284 nan 8.360 nan 0.000 0.489 970 T N 0.769 115.264 114.554 -0.098 0.000 2.767 970 T HA 0.093 4.443 4.350 -0.000 0.000 0.284 970 T C 1.212 175.874 174.700 -0.063 0.000 0.973 970 T CA -0.368 61.678 62.100 -0.090 0.000 0.996 970 T CB 1.632 70.405 68.868 -0.159 0.000 0.927 970 T HN 0.060 nan 8.240 nan 0.000 0.456 971 S N 2.183 117.941 115.700 0.096 0.000 2.425 971 S HA 0.018 4.488 4.470 -0.000 0.000 0.225 971 S C 0.326 175.089 174.600 0.273 0.000 1.024 971 S CA 0.418 58.794 58.200 0.293 0.000 0.951 971 S CB -0.260 63.217 63.200 0.462 0.000 0.796 971 S HN 0.749 nan 8.310 nan 0.000 0.498 972 H N 0.496 119.602 119.070 0.059 0.000 2.717 972 H HA 0.534 5.090 4.556 -0.000 0.000 0.366 972 H C 0.970 176.275 175.328 -0.037 0.000 1.132 972 H CA -0.744 55.374 56.048 0.116 0.000 1.180 972 H CB 1.476 31.310 29.762 0.121 0.000 1.678 972 H HN 0.166 nan 8.280 nan 0.000 0.537 973 R N 1.696 122.304 120.500 0.180 0.000 2.159 973 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 973 R C 1.105 177.421 176.300 0.027 0.000 1.131 973 R CA 1.826 57.963 56.100 0.062 0.000 0.982 973 R CB -0.422 29.959 30.300 0.134 0.000 0.868 973 R HN 0.782 nan 8.270 nan 0.000 0.453 974 H N 0.874 119.962 119.070 0.030 0.000 2.546 974 H HA 0.051 4.607 4.556 -0.000 0.000 0.277 974 H C 1.388 176.654 175.328 -0.104 0.000 1.004 974 H CA 0.640 56.670 56.048 -0.031 0.000 1.231 974 H CB -0.063 29.680 29.762 -0.032 0.000 1.382 974 H HN 0.315 nan 8.280 nan 0.000 0.580 975 L N 0.957 121.819 121.223 -0.601 0.000 2.607 975 L HA 0.220 4.560 4.340 -0.000 0.000 0.228 975 L C 0.611 177.360 176.870 -0.202 0.000 1.123 975 L CA -0.155 54.406 54.840 -0.464 0.000 0.890 975 L CB 0.165 41.922 42.059 -0.504 0.000 1.103 975 L HN 0.056 nan 8.230 nan 0.000 0.468 976 L N 1.205 122.297 121.223 -0.218 0.000 2.426 976 L HA 0.114 4.454 4.340 -0.000 0.000 0.271 976 L C 0.142 176.979 176.870 -0.054 0.000 1.169 976 L CA -0.049 54.628 54.840 -0.273 0.000 0.836 976 L CB 0.299 41.982 42.059 -0.626 0.000 1.112 976 L HN 0.204 nan 8.230 nan 0.000 0.465 977 H N 1.899 120.994 119.070 0.043 0.000 2.609 977 H HA 0.548 5.104 4.556 -0.000 0.000 0.344 977 H C -0.675 174.771 175.328 0.197 0.000 1.040 977 H CA -1.211 54.897 56.048 0.101 0.000 1.216 977 H CB 1.148 30.929 29.762 0.031 0.000 1.529 977 H HN 0.675 nan 8.280 nan 0.000 0.519 978 A N 4.078 127.008 122.820 0.183 0.000 2.548 978 A HA 0.062 4.382 4.320 -0.000 0.000 0.247 978 A C 0.412 178.033 177.584 0.061 0.000 1.067 978 A CA -0.073 51.936 52.037 -0.046 0.000 0.757 978 A CB -0.111 18.827 19.000 -0.102 0.000 0.996 978 A HN 0.854 nan 8.150 nan 0.000 0.504 979 E N 1.148 121.369 120.200 0.035 0.000 2.322 979 E HA 0.200 4.550 4.350 -0.000 0.000 0.257 979 E C 0.053 176.689 176.600 0.061 0.000 1.155 979 E CA -0.648 55.840 56.400 0.145 0.000 0.936 979 E CB 0.719 30.579 29.700 0.268 0.000 1.130 979 E HN 0.801 nan 8.360 nan 0.000 0.465 980 E N 0.225 120.458 120.200 0.055 0.000 2.392 980 E HA 0.196 4.546 4.350 -0.000 0.000 0.264 980 E C 0.353 176.907 176.600 -0.077 0.000 1.024 980 E CA 0.574 56.968 56.400 -0.009 0.000 0.903 980 E CB 0.395 30.088 29.700 -0.010 0.000 0.963 980 E HN 0.665 nan 8.360 nan 0.000 0.432 981 G N 2.823 111.579 108.800 -0.073 0.000 2.601 981 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.252 981 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.252 981 G C -0.600 174.239 174.900 -0.101 0.000 1.294 981 G CA -0.083 44.959 45.100 -0.097 0.000 0.912 981 G HN 0.627 nan 8.290 nan 0.000 0.574 982 T N 0.210 114.690 114.554 -0.125 0.000 2.879 982 T HA 0.490 4.840 4.350 -0.000 0.000 0.290 982 T C -0.769 173.805 174.700 -0.210 0.000 0.993 982 T CA -0.181 61.858 62.100 -0.102 0.000 0.975 982 T CB 1.291 70.188 68.868 0.049 0.000 0.981 982 T HN 0.566 nan 8.240 nan 0.000 0.439 983 W N 3.349 124.563 121.300 -0.143 0.000 2.311 983 W HA 0.582 5.242 4.660 -0.000 0.000 0.310 983 W C -0.195 176.196 176.519 -0.213 0.000 1.274 983 W CA -0.650 56.604 57.345 -0.151 0.000 1.215 983 W CB 0.656 30.036 29.460 -0.134 0.000 1.227 983 W HN 0.372 nan 8.180 nan 0.000 0.523 984 L N 5.428 126.645 121.223 -0.011 0.000 2.341 984 L HA 0.533 4.873 4.340 -0.000 0.000 0.278 984 L C -1.008 175.753 176.870 -0.180 0.000 1.005 984 L CA -0.543 54.168 54.840 -0.215 0.000 0.818 984 L CB 1.086 42.870 42.059 -0.459 0.000 1.259 984 L HN 0.311 nan 8.230 nan 0.000 0.418 985 N N 6.547 125.119 118.700 -0.213 0.000 2.483 985 N HA 0.471 5.211 4.740 -0.000 0.000 0.267 985 N C -1.286 174.062 175.510 -0.270 0.000 0.998 985 N CA -0.153 52.772 53.050 -0.208 0.000 0.918 985 N CB 2.012 40.407 38.487 -0.153 0.000 1.215 985 N HN 0.570 nan 8.380 nan 0.000 0.500 986 I N 1.752 122.108 120.570 -0.357 0.000 2.355 986 I HA 0.253 4.423 4.170 -0.000 0.000 0.288 986 I C -0.548 175.354 176.117 -0.358 0.000 0.999 986 I CA -0.672 60.373 61.300 -0.425 0.000 1.163 986 I CB 1.394 38.950 38.000 -0.740 0.000 1.316 986 I HN 0.127 nan 8.210 nan 0.000 0.454 987 D N 4.776 125.009 120.400 -0.278 0.000 2.192 987 D HA 0.256 4.896 4.640 -0.000 0.000 0.246 987 D C 0.928 176.925 176.300 -0.505 0.000 1.042 987 D CA -0.301 53.481 54.000 -0.364 0.000 0.847 987 D CB 2.468 43.157 40.800 -0.185 0.000 1.186 987 D HN 0.688 nan 8.370 nan 0.000 0.461 988 G N 1.008 109.229 108.800 -0.966 0.000 2.430 988 G HA2 0.014 3.974 3.960 -0.000 0.000 0.216 988 G HA3 0.014 3.974 3.960 -0.000 0.000 0.216 988 G C 0.070 174.280 174.900 -1.150 0.000 1.146 988 G CA 0.541 44.945 45.100 -1.160 0.000 0.793 988 G HN 0.367 nan 8.290 nan 0.000 0.537 989 F N -2.265 117.495 119.950 -0.317 0.000 2.631 989 F HA 0.614 5.141 4.527 -0.000 0.000 0.308 989 F C -0.586 175.116 175.800 -0.163 0.000 1.097 989 F CA -1.226 56.665 58.000 -0.183 0.000 0.952 989 F CB 2.051 40.893 39.000 -0.264 0.000 1.307 989 F HN 0.018 nan 8.300 nan 0.000 0.450 990 H N 1.392 120.468 119.070 0.009 0.000 2.865 990 H HA 0.540 5.096 4.556 -0.000 0.000 0.362 990 H C -0.924 174.424 175.328 0.033 0.000 1.114 990 H CA -0.844 55.181 56.048 -0.037 0.000 1.208 990 H CB 1.916 31.639 29.762 -0.065 0.000 1.727 990 H HN 0.775 nan 8.280 nan 0.000 0.534 991 M N 3.233 122.773 119.600 -0.099 0.000 2.240 991 M HA 0.316 4.796 4.480 -0.000 0.000 0.333 991 M C 0.485 176.881 176.300 0.160 0.000 1.110 991 M CA 0.215 55.522 55.300 0.012 0.000 1.173 991 M CB 0.426 32.938 32.600 -0.147 0.000 1.458 991 M HN 0.826 nan 8.290 nan 0.000 0.458 992 G N 2.609 111.487 108.800 0.129 0.000 2.699 992 G HA2 0.281 4.241 3.960 -0.000 0.000 0.246 992 G HA3 0.281 4.241 3.960 -0.000 0.000 0.246 992 G C 0.592 175.470 174.900 -0.036 0.000 1.219 992 G CA -0.363 44.753 45.100 0.027 0.000 0.866 992 G HN 0.970 nan 8.290 nan 0.000 0.572 993 I N -1.911 118.587 120.570 -0.121 0.000 3.462 993 I HA 0.413 4.583 4.170 -0.000 0.000 0.290 993 I C 1.233 177.277 176.117 -0.122 0.000 1.236 993 I CA 0.480 61.668 61.300 -0.185 0.000 1.418 993 I CB -0.528 37.250 38.000 -0.370 0.000 1.102 993 I HN 0.939 nan 8.210 nan 0.000 0.441 994 G N 1.612 110.364 108.800 -0.080 0.000 2.601 994 G HA2 0.018 3.978 3.960 -0.000 0.000 0.252 994 G HA3 0.018 3.978 3.960 -0.000 0.000 0.252 994 G C 0.582 175.474 174.900 -0.013 0.000 1.294 994 G CA 0.185 45.276 45.100 -0.015 0.000 0.912 994 G HN 1.377 nan 8.290 nan 0.000 0.574 995 G N -2.407 106.397 108.800 0.006 0.000 2.559 995 G HA2 0.022 3.982 3.960 -0.000 0.000 0.202 995 G HA3 0.022 3.982 3.960 -0.000 0.000 0.202 995 G C 0.645 175.584 174.900 0.065 0.000 0.992 995 G CA 0.890 45.998 45.100 0.013 0.000 0.764 995 G HN 0.992 nan 8.290 nan 0.000 0.525 996 D N 1.260 121.725 120.400 0.109 0.000 2.239 996 D HA 0.095 4.735 4.640 -0.000 0.000 0.202 996 D C 1.004 177.346 176.300 0.070 0.000 0.993 996 D CA 2.185 56.313 54.000 0.213 0.000 0.874 996 D CB 0.124 41.060 40.800 0.227 0.000 0.922 996 D HN 0.828 nan 8.370 nan 0.000 0.464 997 D N -3.694 116.528 120.400 -0.296 0.000 2.671 997 D HA 0.292 4.932 4.640 -0.000 0.000 0.273 997 D C -0.856 174.850 176.300 -0.991 0.000 1.264 997 D CA -0.731 52.639 54.000 -1.050 0.000 0.788 997 D CB 0.742 40.583 40.800 -1.598 0.000 1.324 997 D HN -0.283 nan 8.370 nan 0.000 0.424 998 S N -0.494 114.365 115.700 -1.403 0.000 2.741 998 S HA 0.251 4.721 4.470 -0.000 0.000 0.247 998 S C -0.489 174.064 174.600 -0.079 0.000 1.050 998 S CA -0.648 57.246 58.200 -0.509 0.000 1.025 998 S CB -0.499 62.529 63.200 -0.287 0.000 0.897 998 S HN 0.615 nan 8.310 nan 0.000 0.508 999 W N 1.002 122.234 121.300 -0.113 0.000 2.534 999 W HA 0.523 5.183 4.660 -0.000 0.000 0.339 999 W C 0.134 176.624 176.519 -0.050 0.000 0.961 999 W CA -0.412 56.908 57.345 -0.042 0.000 1.545 999 W CB -0.375 29.035 29.460 -0.082 0.000 1.104 999 W HN 0.198 nan 8.180 nan 0.000 0.538 1000 S N -0.926 114.681 115.700 -0.154 0.000 2.579 1000 S HA 0.641 5.111 4.470 -0.000 0.000 0.272 1000 S C -3.111 171.430 174.600 -0.099 0.000 1.141 1000 S CA -1.710 56.436 58.200 -0.090 0.000 0.843 1000 S CB 1.744 64.913 63.200 -0.052 0.000 1.122 1000 S HN -0.245 nan 8.310 nan 0.000 0.468 1001 P HA 0.185 nan 4.420 nan 0.000 0.264 1001 P C 0.315 177.659 177.300 0.073 0.000 1.193 1001 P CA -0.010 63.106 63.100 0.026 0.000 0.763 1001 P CB 0.651 32.262 31.700 -0.148 0.000 0.810 1002 S N 0.479 116.259 115.700 0.133 0.000 2.780 1002 S HA 0.138 4.608 4.470 -0.000 0.000 0.248 1002 S C 0.186 174.872 174.600 0.143 0.000 1.036 1002 S CA -0.316 57.937 58.200 0.089 0.000 1.061 1002 S CB -0.267 62.933 63.200 0.000 0.000 1.037 1002 S HN 0.116 nan 8.310 nan 0.000 0.584 1003 V N 2.899 122.943 119.914 0.216 0.000 2.427 1003 V HA 0.355 4.475 4.120 -0.000 0.000 0.268 1003 V C 0.820 177.065 176.094 0.251 0.000 1.046 1003 V CA -0.255 62.158 62.300 0.189 0.000 0.970 1003 V CB 0.822 32.701 31.823 0.094 0.000 1.001 1003 V HN 0.505 nan 8.190 nan 0.000 0.476 1004 S N 3.987 119.844 115.700 0.263 0.000 2.563 1004 S HA 0.258 4.728 4.470 -0.000 0.000 0.284 1004 S C 1.568 176.309 174.600 0.235 0.000 1.331 1004 S CA 0.119 58.468 58.200 0.249 0.000 1.047 1004 S CB 1.065 64.438 63.200 0.288 0.000 0.859 1004 S HN 0.988 nan 8.310 nan 0.000 0.514 1005 A N 3.436 126.351 122.820 0.159 0.000 1.917 1005 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 1005 A C 1.982 179.591 177.584 0.041 0.000 1.182 1005 A CA 1.884 53.996 52.037 0.125 0.000 0.633 1005 A CB -0.689 18.364 19.000 0.089 0.000 0.819 1005 A HN 0.956 nan 8.150 nan 0.000 0.448 1006 E N -0.876 119.283 120.200 -0.068 0.000 2.472 1006 E HA -0.127 4.223 4.350 -0.000 0.000 0.200 1006 E C 0.584 176.918 176.600 -0.443 0.000 1.046 1006 E CA 0.762 56.996 56.400 -0.276 0.000 0.871 1006 E CB -0.437 29.011 29.700 -0.420 0.000 0.806 1006 E HN 0.698 nan 8.360 nan 0.000 0.533 1007 F N 0.798 120.795 119.950 0.079 0.000 2.683 1007 F HA 0.289 4.816 4.527 -0.000 0.000 0.306 1007 F C 0.780 176.613 175.800 0.054 0.000 1.102 1007 F CA -0.578 57.469 58.000 0.078 0.000 1.244 1007 F CB 0.685 39.733 39.000 0.079 0.000 1.029 1007 F HN -0.186 nan 8.300 nan 0.000 0.545 1008 Q N 1.157 121.055 119.800 0.163 0.000 2.222 1008 Q HA 0.444 4.784 4.340 -0.000 0.000 0.252 1008 Q C -0.226 175.791 176.000 0.028 0.000 0.926 1008 Q CA -0.627 55.244 55.803 0.113 0.000 0.899 1008 Q CB 2.096 30.972 28.738 0.231 0.000 1.250 1008 Q HN 0.237 nan 8.270 nan 0.000 0.441 1009 L N 2.432 123.660 121.223 0.008 0.000 2.399 1009 L HA 0.112 4.452 4.340 -0.000 0.000 0.257 1009 L C 0.620 177.463 176.870 -0.045 0.000 1.236 1009 L CA -0.029 54.802 54.840 -0.015 0.000 1.144 1009 L CB -0.389 41.553 42.059 -0.194 0.000 1.379 1009 L HN 0.687 nan 8.230 nan 0.000 0.414 1010 S N -1.107 114.469 115.700 -0.208 0.000 2.554 1010 S HA 0.141 4.611 4.470 -0.000 0.000 0.226 1010 S C 1.676 176.219 174.600 -0.095 0.000 0.980 1010 S CA 0.176 58.117 58.200 -0.431 0.000 0.939 1010 S CB 0.720 63.467 63.200 -0.754 0.000 0.832 1010 S HN 0.513 nan 8.310 nan 0.000 0.486 1011 A N 1.546 124.332 122.820 -0.057 0.000 2.125 1011 A HA 0.407 4.727 4.320 -0.000 0.000 0.219 1011 A C 2.151 179.583 177.584 -0.253 0.000 1.156 1011 A CA 1.306 53.164 52.037 -0.298 0.000 0.671 1011 A CB -1.347 17.200 19.000 -0.755 0.000 0.794 1011 A HN 1.478 nan 8.150 nan 0.000 0.459 1012 G N -1.320 107.444 108.800 -0.060 0.000 2.550 1012 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.233 1012 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.233 1012 G C 0.484 175.385 174.900 0.001 0.000 1.170 1012 G CA 0.543 45.658 45.100 0.026 0.000 0.693 1012 G HN 0.703 nan 8.290 nan 0.000 0.512 1013 R N -0.493 119.876 120.500 -0.217 0.000 2.561 1013 R HA 0.675 5.015 4.340 -0.000 0.000 0.297 1013 R C -1.523 174.531 176.300 -0.410 0.000 0.969 1013 R CA -0.600 55.415 56.100 -0.141 0.000 0.879 1013 R CB 1.525 31.779 30.300 -0.077 0.000 1.178 1013 R HN 0.252 nan 8.270 nan 0.000 0.445 1014 Y N 0.266 120.566 120.300 -0.000 0.000 2.512 1014 Y HA 0.353 4.903 4.550 -0.000 0.000 0.348 1014 Y C -0.395 175.646 175.900 0.235 0.000 0.990 1014 Y CA -0.846 57.228 58.100 -0.042 0.000 1.033 1014 Y CB 2.191 40.483 38.460 -0.280 0.000 1.259 1014 Y HN 0.584 nan 8.280 nan 0.000 0.461 1015 H N 2.543 121.872 119.070 0.433 0.000 2.679 1015 H HA 0.612 5.168 4.556 -0.000 0.000 0.360 1015 H C -1.790 173.897 175.328 0.599 0.000 1.105 1015 H CA -0.914 55.369 56.048 0.391 0.000 1.196 1015 H CB 1.216 31.108 29.762 0.217 0.000 1.636 1015 H HN 0.569 nan 8.280 nan 0.000 0.531 1016 Y N 1.711 121.791 120.300 -0.368 0.000 2.609 1016 Y HA 0.449 4.999 4.550 -0.000 0.000 0.336 1016 Y C -2.041 173.647 175.900 -0.354 0.000 1.129 1016 Y CA -1.103 56.859 58.100 -0.231 0.000 1.040 1016 Y CB 1.349 39.786 38.460 -0.039 0.000 1.310 1016 Y HN 0.746 nan 8.280 nan 0.000 0.460 1017 Q N 3.161 122.959 119.800 -0.003 0.000 2.345 1017 Q HA 0.816 5.156 4.340 -0.000 0.000 0.275 1017 Q C -2.062 174.033 176.000 0.159 0.000 1.063 1017 Q CA -1.077 54.721 55.803 -0.008 0.000 0.819 1017 Q CB 3.293 32.051 28.738 0.034 0.000 1.356 1017 Q HN 0.837 nan 8.270 nan 0.000 0.418 1018 L N 0.891 122.197 121.223 0.138 0.000 2.371 1018 L HA 0.764 5.104 4.340 -0.000 0.000 0.262 1018 L C -0.941 176.050 176.870 0.201 0.000 1.006 1018 L CA -1.333 53.625 54.840 0.195 0.000 0.818 1018 L CB 2.590 44.742 42.059 0.155 0.000 1.354 1018 L HN 0.447 nan 8.230 nan 0.000 0.415 1019 V N 0.742 120.798 119.914 0.237 0.000 2.407 1019 V HA 0.376 4.496 4.120 -0.000 0.000 0.291 1019 V C -1.243 175.025 176.094 0.290 0.000 1.018 1019 V CA -0.380 62.061 62.300 0.235 0.000 0.842 1019 V CB 1.984 33.917 31.823 0.183 0.000 0.996 1019 V HN 0.594 nan 8.190 nan 0.000 0.426 1020 W N 6.992 128.359 121.300 0.112 0.000 2.478 1020 W HA 0.717 5.377 4.660 -0.000 0.000 0.318 1020 W C -0.104 176.429 176.519 0.022 0.000 1.062 1020 W CA -0.943 56.405 57.345 0.006 0.000 1.210 1020 W CB 1.450 30.978 29.460 0.113 0.000 1.325 1020 W HN 0.901 nan 8.180 nan 0.000 0.496 1021 C N 3.156 122.731 119.300 0.458 0.000 3.213 1021 C HA 0.684 5.144 4.460 -0.000 0.000 0.378 1021 C C -0.511 174.603 174.990 0.206 0.000 2.095 1021 C CA -0.834 58.366 59.018 0.304 0.000 1.161 1021 C CB 1.300 29.152 27.740 0.187 0.000 2.466 1021 C HN 0.704 nan 8.230 nan 0.000 0.426 1022 Q N 1.744 121.612 119.800 0.113 0.000 2.235 1022 Q HA 0.562 4.902 4.340 -0.000 0.000 0.256 1022 Q C -0.293 175.706 176.000 -0.002 0.000 0.951 1022 Q CA -0.408 55.411 55.803 0.027 0.000 0.890 1022 Q CB 1.551 30.292 28.738 0.004 0.000 1.279 1022 Q HN 0.745 nan 8.270 nan 0.000 0.444 1023 K N 0.000 120.375 120.400 -0.041 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 1023 K CB 0.000 32.479 32.500 -0.034 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543