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 3dyo_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETNGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.093 176.300 -0.345 0.000 0.893 13 R CA 0.000 55.965 56.100 -0.225 0.000 0.921 13 R CB 0.000 30.172 30.300 -0.213 0.000 0.687 14 R N 1.678 121.868 120.500 -0.518 0.000 2.666 14 R HA 0.178 4.527 4.340 0.014 0.000 0.275 14 R C 0.246 176.053 176.300 -0.821 0.000 1.266 14 R CA -0.507 54.909 56.100 -1.140 0.000 1.401 14 R CB 0.527 30.083 30.300 -1.240 0.000 1.145 14 R HN 0.436 nan 8.270 nan 0.000 0.581 15 D N 1.315 121.423 120.400 -0.488 0.000 2.221 15 D HA -0.205 4.443 4.640 0.014 0.000 0.204 15 D C 1.413 177.645 176.300 -0.113 0.000 0.982 15 D CA 1.184 54.978 54.000 -0.344 0.000 0.857 15 D CB 0.122 40.522 40.800 -0.666 0.000 0.934 15 D HN 0.662 nan 8.370 nan 0.000 0.475 16 W N 1.469 122.778 121.300 0.016 0.000 2.961 16 W HA 0.099 4.767 4.660 0.013 0.000 0.240 16 W C 0.396 177.008 176.519 0.155 0.000 1.305 16 W CA -0.011 57.445 57.345 0.184 0.000 1.465 16 W CB -0.272 29.343 29.460 0.258 0.000 1.135 16 W HN -0.161 nan 8.180 nan 0.000 0.688 17 E N 0.865 120.977 120.200 -0.147 0.000 3.306 17 E HA 0.054 4.412 4.350 0.014 0.000 0.197 17 E C -0.790 175.679 176.600 -0.218 0.000 0.980 17 E CA -0.228 56.099 56.400 -0.122 0.000 1.259 17 E CB -0.209 29.410 29.700 -0.135 0.000 1.112 17 E HN 0.025 nan 8.360 nan 0.000 0.458 18 N N 1.210 119.817 118.700 -0.154 0.000 2.594 18 N HA 0.153 4.901 4.740 0.014 0.000 0.280 18 N C -2.427 172.962 175.510 -0.201 0.000 1.156 18 N CA -2.039 50.881 53.050 -0.215 0.000 0.831 18 N CB 1.510 39.879 38.487 -0.197 0.000 1.379 18 N HN -0.176 nan 8.380 nan 0.000 0.536 19 P HA 0.143 nan 4.420 nan 0.000 0.245 19 P C 0.982 178.065 177.300 -0.363 0.000 1.212 19 P CA 0.377 63.202 63.100 -0.460 0.000 0.774 19 P CB 0.118 31.101 31.700 -1.194 0.000 0.999 20 G N -0.539 108.084 108.800 -0.295 0.000 2.777 20 G HA2 0.116 4.084 3.960 0.014 0.000 0.211 20 G HA3 0.116 4.084 3.960 0.014 0.000 0.211 20 G C 0.148 174.972 174.900 -0.127 0.000 1.149 20 G CA 0.225 45.194 45.100 -0.218 0.000 0.785 20 G HN 0.200 nan 8.290 nan 0.000 0.536 21 V N 1.202 121.062 119.914 -0.090 0.000 2.419 21 V HA 0.303 4.431 4.120 0.014 0.000 0.287 21 V C 0.673 176.819 176.094 0.086 0.000 1.017 21 V CA 0.002 62.297 62.300 -0.008 0.000 0.844 21 V CB 1.480 33.287 31.823 -0.028 0.000 1.011 21 V HN 0.285 nan 8.190 nan 0.000 0.429 22 T N 0.450 115.050 114.554 0.077 0.000 3.023 22 T HA 0.394 4.752 4.350 0.014 0.000 0.253 22 T C 0.224 174.960 174.700 0.061 0.000 1.038 22 T CA 0.252 62.399 62.100 0.077 0.000 0.962 22 T CB 0.352 69.222 68.868 0.003 0.000 1.018 22 T HN 0.743 nan 8.240 nan 0.000 0.521 23 Q N 0.192 120.081 119.800 0.148 0.000 2.848 23 Q HA 0.651 4.999 4.340 0.014 0.000 0.288 23 Q C -2.359 173.777 176.000 0.228 0.000 0.907 23 Q CA -1.018 54.870 55.803 0.143 0.000 0.792 23 Q CB 0.643 29.372 28.738 -0.015 0.000 1.534 23 Q HN 0.227 nan 8.270 nan 0.000 0.419 24 L N 1.702 123.094 121.223 0.282 0.000 2.470 24 L HA 0.612 4.960 4.340 0.014 0.000 0.268 24 L C -0.649 176.371 176.870 0.250 0.000 0.964 24 L CA -0.832 54.174 54.840 0.277 0.000 0.839 24 L CB 1.951 44.282 42.059 0.452 0.000 1.276 24 L HN 0.844 nan 8.230 nan 0.000 0.403 25 N N 0.684 119.487 118.700 0.171 0.000 2.800 25 N HA -0.206 4.543 4.740 0.014 0.000 0.250 25 N C 0.156 175.728 175.510 0.104 0.000 1.078 25 N CA 0.899 54.041 53.050 0.154 0.000 0.804 25 N CB -0.830 37.730 38.487 0.123 0.000 1.135 25 N HN 0.688 nan 8.380 nan 0.000 0.565 26 R N 0.942 121.390 120.500 -0.086 0.000 2.490 26 R HA 0.455 4.803 4.340 0.014 0.000 0.278 26 R C 0.379 176.494 176.300 -0.309 0.000 1.069 26 R CA -0.431 55.331 56.100 -0.564 0.000 1.080 26 R CB 0.576 30.506 30.300 -0.616 0.000 1.030 26 R HN 0.125 nan 8.270 nan 0.000 0.491 27 L N 2.856 123.882 121.223 -0.328 0.000 2.453 27 L HA 0.336 4.684 4.340 0.014 0.000 0.261 27 L C 0.662 177.462 176.870 -0.117 0.000 1.179 27 L CA -0.653 54.101 54.840 -0.144 0.000 0.813 27 L CB 0.941 42.951 42.059 -0.081 0.000 1.110 27 L HN 0.804 nan 8.230 nan 0.000 0.466 28 A N 1.499 124.291 122.820 -0.046 0.000 2.507 28 A HA 0.444 4.773 4.320 0.014 0.000 0.235 28 A C 0.366 177.938 177.584 -0.021 0.000 1.070 28 A CA 0.153 52.172 52.037 -0.029 0.000 0.768 28 A CB 0.101 19.111 19.000 0.017 0.000 1.011 28 A HN 0.815 nan 8.150 nan 0.000 0.502 29 A N 1.140 123.908 122.820 -0.085 0.000 2.313 29 A HA 0.723 5.051 4.320 0.014 0.000 0.261 29 A C 0.098 177.575 177.584 -0.178 0.000 1.090 29 A CA 0.494 52.410 52.037 -0.203 0.000 0.807 29 A CB 0.043 18.920 19.000 -0.206 0.000 1.055 29 A HN 2.058 nan 8.150 nan 0.000 0.492 30 H N -3.052 115.854 119.070 -0.274 0.000 2.904 30 H HA 0.585 5.149 4.556 0.013 0.000 0.290 30 H C -3.418 171.626 175.328 -0.473 0.000 1.437 30 H CA -1.662 54.158 56.048 -0.381 0.000 1.147 30 H CB -0.028 29.394 29.762 -0.566 0.000 1.824 30 H HN 0.390 nan 8.280 nan 0.000 0.505 31 P HA 0.214 nan 4.420 nan 0.000 0.272 31 P C -2.578 174.590 177.300 -0.221 0.000 1.240 31 P CA -1.398 61.507 63.100 -0.325 0.000 0.791 31 P CB -0.336 31.086 31.700 -0.463 0.000 0.978 32 P HA 0.042 nan 4.420 nan 0.000 0.261 32 P C -0.671 176.856 177.300 0.378 0.000 1.183 32 P CA 1.172 64.327 63.100 0.091 0.000 0.761 32 P CB -0.102 31.682 31.700 0.139 0.000 0.785 33 F N 1.273 121.318 119.950 0.158 0.000 2.575 33 F HA 0.603 5.138 4.527 0.013 0.000 0.330 33 F C 0.962 176.693 175.800 -0.116 0.000 1.056 33 F CA -1.038 57.005 58.000 0.072 0.000 0.964 33 F CB 2.227 41.240 39.000 0.022 0.000 1.258 33 F HN 0.212 nan 8.300 nan 0.000 0.484 34 A N 0.228 122.959 122.820 -0.148 0.000 2.664 34 A HA 0.222 4.550 4.320 0.014 0.000 0.222 34 A C 0.563 177.838 177.584 -0.516 0.000 1.320 34 A CA 0.462 52.169 52.037 -0.550 0.000 1.029 34 A CB -0.110 18.056 19.000 -1.390 0.000 1.318 34 A HN 0.748 nan 8.150 nan 0.000 0.589 35 S N 0.454 115.970 115.700 -0.306 0.000 3.524 35 S HA -0.152 4.326 4.470 0.014 0.000 0.377 35 S C -0.015 174.514 174.600 -0.118 0.000 0.949 35 S CA 0.472 58.558 58.200 -0.190 0.000 1.264 35 S CB -1.543 61.555 63.200 -0.170 0.000 0.918 35 S HN 0.464 nan 8.310 nan 0.000 0.517 36 W N 1.668 122.944 121.300 -0.039 0.000 2.170 36 W HA 0.275 4.943 4.660 0.013 0.000 0.336 36 W C 1.380 177.875 176.519 -0.039 0.000 1.283 36 W CA -0.614 56.715 57.345 -0.028 0.000 1.224 36 W CB 0.305 29.748 29.460 -0.028 0.000 1.132 36 W HN 0.336 nan 8.180 nan 0.000 0.571 37 R N 1.718 122.350 120.500 0.220 0.000 2.509 37 R HA 0.079 4.427 4.340 0.014 0.000 0.300 37 R C -0.030 176.325 176.300 0.091 0.000 0.985 37 R CA -0.072 56.094 56.100 0.110 0.000 1.092 37 R CB -0.083 30.249 30.300 0.053 0.000 1.237 37 R HN 0.370 nan 8.270 nan 0.000 0.546 38 N N 0.110 118.875 118.700 0.108 0.000 2.430 38 N HA 0.112 4.860 4.740 0.014 0.000 0.290 38 N C -0.051 175.425 175.510 -0.057 0.000 1.063 38 N CA -0.013 53.051 53.050 0.023 0.000 0.883 38 N CB 1.875 40.372 38.487 0.016 0.000 1.465 38 N HN -0.266 nan 8.380 nan 0.000 0.493 39 S N 2.087 117.736 115.700 -0.085 0.000 2.383 39 S HA -0.112 4.366 4.470 0.014 0.000 0.229 39 S C 1.345 175.773 174.600 -0.288 0.000 1.030 39 S CA 0.890 58.996 58.200 -0.157 0.000 1.002 39 S CB 0.050 63.195 63.200 -0.092 0.000 0.829 39 S HN 0.601 nan 8.310 nan 0.000 0.467 40 E N 1.086 121.136 120.200 -0.250 0.000 2.106 40 E HA -0.085 4.273 4.350 0.014 0.000 0.192 40 E C 2.096 178.469 176.600 -0.379 0.000 0.984 40 E CA 0.745 56.957 56.400 -0.314 0.000 0.806 40 E CB -0.183 29.393 29.700 -0.207 0.000 0.750 40 E HN 0.428 nan 8.360 nan 0.000 0.458 41 E N 0.328 120.313 120.200 -0.358 0.000 2.106 41 E HA -0.099 4.259 4.350 0.014 0.000 0.192 41 E C 1.959 177.949 176.600 -1.017 0.000 0.984 41 E CA 0.950 57.088 56.400 -0.438 0.000 0.806 41 E CB -0.305 29.290 29.700 -0.175 0.000 0.750 41 E HN 0.212 nan 8.360 nan 0.000 0.458 42 A N 1.628 123.623 122.820 -1.374 0.000 1.877 42 A HA -0.206 4.122 4.320 0.014 0.000 0.216 42 A C 2.254 179.207 177.584 -1.052 0.000 1.186 42 A CA 1.694 52.570 52.037 -1.934 0.000 0.620 42 A CB -0.518 17.895 19.000 -0.980 0.000 0.822 42 A HN 0.136 nan 8.150 nan 0.000 0.443 43 R N -0.325 119.748 120.500 -0.711 0.000 2.080 43 R HA -0.160 4.188 4.340 0.014 0.000 0.236 43 R C 2.196 178.212 176.300 -0.473 0.000 1.137 43 R CA 2.295 58.028 56.100 -0.611 0.000 0.943 43 R CB -0.608 29.203 30.300 -0.816 0.000 0.846 43 R HN 0.645 nan 8.270 nan 0.000 0.431 44 T N -2.488 111.812 114.554 -0.423 0.000 3.160 44 T HA -0.010 4.348 4.350 0.014 0.000 0.257 44 T C 0.406 174.999 174.700 -0.179 0.000 1.147 44 T CA 0.828 62.771 62.100 -0.261 0.000 1.064 44 T CB -0.051 68.696 68.868 -0.203 0.000 0.949 44 T HN 0.434 nan 8.240 nan 0.000 0.526 45 D N 0.410 120.659 120.400 -0.253 0.000 3.012 45 D HA -0.160 4.488 4.640 0.014 0.000 0.222 45 D C 0.174 176.578 176.300 0.172 0.000 1.167 45 D CA 0.549 54.557 54.000 0.014 0.000 0.854 45 D CB -1.051 39.810 40.800 0.102 0.000 1.107 45 D HN 0.606 nan 8.370 nan 0.000 0.421 46 R N 0.060 120.621 120.500 0.103 0.000 2.649 46 R HA 0.458 4.806 4.340 0.014 0.000 0.270 46 R C -2.065 174.479 176.300 0.407 0.000 1.105 46 R CA -1.176 55.037 56.100 0.188 0.000 1.193 46 R CB 0.088 30.445 30.300 0.095 0.000 1.120 46 R HN 0.077 nan 8.270 nan 0.000 0.561 47 P HA -0.012 nan 4.420 nan 0.000 0.271 47 P C -0.812 176.667 177.300 0.299 0.000 1.233 47 P CA -0.076 63.175 63.100 0.251 0.000 0.789 47 P CB 0.743 32.531 31.700 0.147 0.000 0.951 48 S N 0.533 116.281 115.700 0.080 0.000 2.482 48 S HA 0.160 4.638 4.470 0.014 0.000 0.303 48 S C 0.807 175.421 174.600 0.022 0.000 1.091 48 S CA -0.554 57.626 58.200 -0.033 0.000 1.057 48 S CB 0.630 63.474 63.200 -0.592 0.000 1.031 48 S HN 0.185 nan 8.310 nan 0.000 0.485 49 Q N 2.587 122.434 119.800 0.078 0.000 2.437 49 Q HA -0.003 4.346 4.340 0.014 0.000 0.210 49 Q C 0.878 176.966 176.000 0.146 0.000 0.972 49 Q CA 0.996 56.870 55.803 0.119 0.000 0.903 49 Q CB -0.184 28.626 28.738 0.121 0.000 0.967 49 Q HN 0.691 nan 8.270 nan 0.000 0.486 50 Q N -0.306 119.502 119.800 0.013 0.000 2.403 50 Q HA 0.118 4.466 4.340 0.014 0.000 0.203 50 Q C -0.226 175.795 176.000 0.034 0.000 0.932 50 Q CA 0.142 55.902 55.803 -0.072 0.000 0.945 50 Q CB 0.375 29.006 28.738 -0.179 0.000 1.045 50 Q HN 0.068 nan 8.270 nan 0.000 0.511 51 L N 0.775 122.037 121.223 0.064 0.000 2.345 51 L HA 0.430 4.779 4.340 0.014 0.000 0.274 51 L C -1.112 175.838 176.870 0.133 0.000 0.999 51 L CA -0.401 54.488 54.840 0.082 0.000 0.849 51 L CB 1.008 43.032 42.059 -0.057 0.000 1.220 51 L HN -0.123 nan 8.230 nan 0.000 0.422 52 R N 2.355 122.975 120.500 0.200 0.000 2.474 52 R HA 0.554 4.902 4.340 0.014 0.000 0.295 52 R C -0.397 175.922 176.300 0.032 0.000 0.980 52 R CA -0.616 55.546 56.100 0.103 0.000 0.934 52 R CB 1.832 32.160 30.300 0.046 0.000 1.101 52 R HN 0.654 nan 8.270 nan 0.000 0.469 53 S N 2.347 118.056 115.700 0.015 0.000 2.489 53 S HA 0.232 4.710 4.470 0.014 0.000 0.277 53 S C 0.670 175.262 174.600 -0.014 0.000 1.230 53 S CA -0.620 57.579 58.200 -0.001 0.000 1.053 53 S CB 0.427 63.638 63.200 0.019 0.000 0.955 53 S HN 0.537 nan 8.310 nan 0.000 0.488 54 L N 3.853 125.063 121.223 -0.022 0.000 2.700 54 L HA 0.286 4.634 4.340 0.014 0.000 0.234 54 L C 0.260 177.269 176.870 0.231 0.000 1.156 54 L CA -0.363 54.479 54.840 0.004 0.000 0.946 54 L CB -0.342 41.656 42.059 -0.100 0.000 1.216 54 L HN 0.502 nan 8.230 nan 0.000 0.493 55 N N 1.194 119.982 118.700 0.146 0.000 2.453 55 N HA 0.464 5.213 4.740 0.014 0.000 0.253 55 N C 0.672 176.312 175.510 0.216 0.000 1.252 55 N CA 1.048 54.196 53.050 0.162 0.000 0.917 55 N CB 1.275 39.792 38.487 0.051 0.000 1.117 55 N HN 0.299 nan 8.380 nan 0.000 0.442 56 G N 0.601 109.548 108.800 0.244 0.000 2.240 56 G HA2 -0.098 3.870 3.960 0.014 0.000 0.199 56 G HA3 -0.098 3.870 3.960 0.014 0.000 0.199 56 G C -1.544 173.568 174.900 0.354 0.000 1.342 56 G CA -0.778 44.455 45.100 0.222 0.000 1.145 56 G HN 0.479 nan 8.290 nan 0.000 0.477 57 E N 0.309 120.689 120.200 0.299 0.000 2.223 57 E HA 0.446 4.804 4.350 0.014 0.000 0.282 57 E C -0.836 176.014 176.600 0.416 0.000 1.046 57 E CA -0.139 56.455 56.400 0.322 0.000 0.857 57 E CB 1.033 30.837 29.700 0.174 0.000 1.055 57 E HN 0.347 nan 8.360 nan 0.000 0.409 58 W N 1.639 123.026 121.300 0.146 0.000 3.207 58 W HA 0.418 5.086 4.660 0.014 0.000 0.340 58 W C 0.264 176.905 176.519 0.203 0.000 1.336 58 W CA -0.710 56.750 57.345 0.192 0.000 1.097 58 W CB 0.651 30.278 29.460 0.278 0.000 1.671 58 W HN 0.168 nan 8.180 nan 0.000 0.636 59 R N 1.184 121.974 120.500 0.483 0.000 2.514 59 R HA 0.562 4.910 4.340 0.014 0.000 0.301 59 R C -1.635 174.915 176.300 0.416 0.000 0.962 59 R CA -0.942 55.371 56.100 0.354 0.000 0.882 59 R CB 1.458 31.916 30.300 0.264 0.000 1.143 59 R HN 0.437 nan 8.270 nan 0.000 0.452 60 F N 0.598 120.586 119.950 0.062 0.000 2.578 60 F HA 0.682 5.217 4.527 0.013 0.000 0.311 60 F C -1.488 174.160 175.800 -0.253 0.000 1.094 60 F CA -0.643 57.248 58.000 -0.182 0.000 0.923 60 F CB 2.059 40.827 39.000 -0.387 0.000 1.230 60 F HN 0.603 nan 8.300 nan 0.000 0.450 61 A N 4.702 126.762 122.820 -1.266 0.000 2.398 61 A HA 0.521 4.849 4.320 0.014 0.000 0.301 61 A C -2.299 174.453 177.584 -1.388 0.000 1.041 61 A CA -0.508 50.933 52.037 -0.994 0.000 0.711 61 A CB 0.592 19.326 19.000 -0.442 0.000 1.240 61 A HN 0.966 nan 8.150 nan 0.000 0.420 62 W N 3.208 123.746 121.300 -1.271 0.000 2.417 62 W HA 0.714 5.382 4.660 0.013 0.000 0.317 62 W C -1.733 174.221 176.519 -0.942 0.000 1.121 62 W CA -0.179 56.573 57.345 -0.988 0.000 1.208 62 W CB 0.834 29.950 29.460 -0.573 0.000 1.253 62 W HN 0.499 nan 8.180 nan 0.000 0.533 63 F N 6.149 125.349 119.950 -1.250 0.000 2.603 63 F HA 0.395 4.931 4.527 0.013 0.000 0.317 63 F C -1.431 173.422 175.800 -1.579 0.000 1.066 63 F CA -2.452 54.939 58.000 -1.015 0.000 0.941 63 F CB 1.659 40.275 39.000 -0.640 0.000 1.291 63 F HN 0.191 nan 8.300 nan 0.000 0.472 64 P HA 0.233 nan 4.420 nan 0.000 0.245 64 P C -0.588 176.607 177.300 -0.174 0.000 1.203 64 P CA 0.547 63.402 63.100 -0.408 0.000 0.792 64 P CB 0.904 32.627 31.700 0.038 0.000 0.997 65 A N -0.092 122.628 122.820 -0.167 0.000 2.582 65 A HA 0.491 4.819 4.320 0.014 0.000 0.297 65 A C -2.418 175.081 177.584 -0.142 0.000 1.059 65 A CA -0.947 51.039 52.037 -0.086 0.000 0.705 65 A CB 0.429 19.445 19.000 0.026 0.000 1.279 65 A HN -0.299 nan 8.150 nan 0.000 0.404 66 P HA -0.215 nan 4.420 nan 0.000 0.216 66 P C 0.916 178.127 177.300 -0.148 0.000 1.154 66 P CA 1.872 64.836 63.100 -0.226 0.000 0.865 66 P CB 0.202 31.742 31.700 -0.266 0.000 0.789 67 E N -0.131 120.056 120.200 -0.023 0.000 2.273 67 E HA -0.138 4.221 4.350 0.014 0.000 0.198 67 E C 1.996 178.551 176.600 -0.076 0.000 1.002 67 E CA 1.499 57.894 56.400 -0.008 0.000 0.828 67 E CB -0.859 28.869 29.700 0.047 0.000 0.747 67 E HN 0.281 nan 8.360 nan 0.000 0.491 68 A N 0.342 123.096 122.820 -0.110 0.000 2.238 68 A HA 0.103 4.431 4.320 0.014 0.000 0.208 68 A C 0.560 177.932 177.584 -0.353 0.000 1.177 68 A CA -0.108 51.881 52.037 -0.081 0.000 0.804 68 A CB 0.229 19.285 19.000 0.093 0.000 0.823 68 A HN 0.020 nan 8.150 nan 0.000 0.482 69 V N 2.547 122.092 119.914 -0.616 0.000 2.530 69 V HA 0.249 4.377 4.120 0.014 0.000 0.282 69 V C -2.216 173.584 176.094 -0.491 0.000 1.048 69 V CA -1.502 60.184 62.300 -1.022 0.000 0.997 69 V CB 0.876 32.113 31.823 -0.977 0.000 0.987 69 V HN 0.322 nan 8.190 nan 0.000 0.477 70 P HA 0.175 nan 4.420 nan 0.000 0.287 70 P C 0.860 178.115 177.300 -0.075 0.000 1.294 70 P CA -0.344 62.672 63.100 -0.140 0.000 0.776 70 P CB 0.890 32.558 31.700 -0.054 0.000 0.889 71 E N 2.673 122.832 120.200 -0.068 0.000 2.208 71 E HA -0.313 4.045 4.350 0.014 0.000 0.202 71 E C 1.381 177.952 176.600 -0.049 0.000 1.014 71 E CA 2.222 58.581 56.400 -0.068 0.000 0.819 71 E CB -0.504 29.160 29.700 -0.061 0.000 0.735 71 E HN 0.398 nan 8.360 nan 0.000 0.469 72 S N 0.444 116.135 115.700 -0.014 0.000 2.380 72 S HA -0.234 4.244 4.470 0.014 0.000 0.229 72 S C 1.675 176.294 174.600 0.032 0.000 1.043 72 S CA 1.755 59.958 58.200 0.005 0.000 1.038 72 S CB -1.019 62.197 63.200 0.026 0.000 0.872 72 S HN 0.693 nan 8.310 nan 0.000 0.456 73 W N 1.697 122.904 121.300 -0.155 0.000 2.421 73 W HA 0.060 4.728 4.660 0.013 0.000 0.270 73 W C 1.627 178.032 176.519 -0.189 0.000 1.233 73 W CA 0.839 58.093 57.345 -0.151 0.000 1.226 73 W CB -0.200 29.159 29.460 -0.169 0.000 1.121 73 W HN 0.288 nan 8.180 nan 0.000 0.579 74 L N 0.504 121.526 121.223 -0.336 0.000 2.046 74 L HA -0.174 4.174 4.340 0.014 0.000 0.208 74 L C 2.435 179.056 176.870 -0.415 0.000 1.077 74 L CA 1.601 56.052 54.840 -0.649 0.000 0.747 74 L CB -0.796 40.932 42.059 -0.552 0.000 0.896 74 L HN -0.033 nan 8.230 nan 0.000 0.432 75 E N -1.024 119.036 120.200 -0.234 0.000 2.122 75 E HA -0.036 4.322 4.350 0.014 0.000 0.190 75 E C 0.325 176.850 176.600 -0.126 0.000 0.977 75 E CA 0.341 56.656 56.400 -0.142 0.000 0.820 75 E CB 0.312 29.963 29.700 -0.081 0.000 0.770 75 E HN 0.460 nan 8.360 nan 0.000 0.462 76 C N -0.413 118.821 119.300 -0.109 0.000 3.239 76 C HA 0.516 4.985 4.460 0.014 0.000 0.317 76 C C -0.548 174.440 174.990 -0.003 0.000 1.310 76 C CA -1.328 57.652 59.018 -0.064 0.000 1.371 76 C CB 0.925 28.644 27.740 -0.035 0.000 1.714 76 C HN 0.249 nan 8.230 nan 0.000 0.473 77 D N 1.177 121.588 120.400 0.017 0.000 2.478 77 D HA 0.253 4.901 4.640 0.014 0.000 0.234 77 D C -0.337 176.044 176.300 0.135 0.000 1.154 77 D CA 0.449 54.510 54.000 0.101 0.000 0.874 77 D CB 0.553 41.401 40.800 0.080 0.000 1.198 77 D HN 0.609 nan 8.370 nan 0.000 0.455 78 L N 5.709 127.050 121.223 0.197 0.000 2.261 78 L HA 0.267 4.615 4.340 0.014 0.000 0.289 78 L C -1.185 175.741 176.870 0.093 0.000 1.059 78 L CA -1.566 53.358 54.840 0.141 0.000 0.816 78 L CB 1.404 43.546 42.059 0.139 0.000 1.191 78 L HN 0.527 nan 8.230 nan 0.000 0.431 79 P HA -0.191 nan 4.420 nan 0.000 0.218 79 P C 0.737 178.062 177.300 0.040 0.000 1.148 79 P CA 1.227 64.356 63.100 0.049 0.000 0.822 79 P CB 0.217 31.939 31.700 0.037 0.000 0.784 80 E N -0.320 119.900 120.200 0.033 0.000 2.482 80 E HA 0.235 4.593 4.350 0.014 0.000 0.196 80 E C 1.015 177.617 176.600 0.003 0.000 1.047 80 E CA -0.071 56.336 56.400 0.012 0.000 0.869 80 E CB -0.535 29.163 29.700 -0.003 0.000 0.836 80 E HN 0.158 nan 8.360 nan 0.000 0.520 81 A N 1.083 123.916 122.820 0.021 0.000 2.346 81 A HA 0.246 4.574 4.320 0.014 0.000 0.252 81 A C -0.293 177.330 177.584 0.065 0.000 1.089 81 A CA -0.393 51.651 52.037 0.013 0.000 0.797 81 A CB 0.402 19.436 19.000 0.057 0.000 1.047 81 A HN 0.029 nan 8.150 nan 0.000 0.494 82 D N -0.608 119.855 120.400 0.105 0.000 2.374 82 D HA 0.553 5.201 4.640 0.014 0.000 0.239 82 D C -0.842 175.567 176.300 0.181 0.000 0.991 82 D CA -0.026 54.066 54.000 0.153 0.000 0.960 82 D CB 1.577 42.521 40.800 0.240 0.000 1.284 82 D HN 0.347 nan 8.370 nan 0.000 0.512 83 T N 0.618 115.263 114.554 0.153 0.000 2.743 83 T HA 0.542 4.900 4.350 0.014 0.000 0.292 83 T C -0.021 174.764 174.700 0.142 0.000 0.972 83 T CA -0.529 61.669 62.100 0.163 0.000 0.967 83 T CB 0.542 69.482 68.868 0.120 0.000 0.926 83 T HN 0.267 nan 8.240 nan 0.000 0.459 84 V N 1.353 121.381 119.914 0.190 0.000 3.130 84 V HA 0.770 4.898 4.120 0.014 0.000 0.310 84 V C -0.234 175.986 176.094 0.211 0.000 1.158 84 V CA -1.077 61.297 62.300 0.122 0.000 1.029 84 V CB 1.620 33.493 31.823 0.083 0.000 1.057 84 V HN 0.484 nan 8.190 nan 0.000 0.436 85 V N 2.142 122.155 119.914 0.166 0.000 2.637 85 V HA 0.422 4.550 4.120 0.014 0.000 0.296 85 V C 0.068 176.240 176.094 0.130 0.000 1.046 85 V CA 0.189 62.586 62.300 0.162 0.000 1.066 85 V CB 1.286 33.179 31.823 0.116 0.000 0.968 85 V HN 0.747 nan 8.190 nan 0.000 0.483 86 V N 7.429 127.342 119.914 -0.002 0.000 2.588 86 V HA 0.431 4.559 4.120 0.014 0.000 0.304 86 V C -2.286 173.700 176.094 -0.179 0.000 1.042 86 V CA -1.742 60.414 62.300 -0.241 0.000 0.877 86 V CB 2.285 33.605 31.823 -0.838 0.000 0.996 86 V HN 0.758 nan 8.190 nan 0.000 0.425 87 P HA 0.371 nan 4.420 nan 0.000 0.272 87 P C -0.653 176.578 177.300 -0.114 0.000 1.223 87 P CA 0.052 63.035 63.100 -0.194 0.000 0.784 87 P CB 1.223 32.828 31.700 -0.160 0.000 0.923 88 S N 0.540 116.182 115.700 -0.096 0.000 2.595 88 S HA 0.414 4.892 4.470 0.014 0.000 0.270 88 S C -1.344 173.192 174.600 -0.106 0.000 1.145 88 S CA -1.008 57.123 58.200 -0.114 0.000 0.825 88 S CB 0.494 63.630 63.200 -0.106 0.000 1.107 88 S HN 0.340 nan 8.310 nan 0.000 0.461 89 N N 1.196 119.767 118.700 -0.216 0.000 2.408 89 N HA 0.428 5.176 4.740 0.014 0.000 0.280 89 N C 0.562 175.904 175.510 -0.279 0.000 1.002 89 N CA -0.773 52.120 53.050 -0.261 0.000 0.907 89 N CB 0.710 39.008 38.487 -0.315 0.000 1.161 89 N HN 0.851 nan 8.380 nan 0.000 0.488 90 W N 2.684 123.850 121.300 -0.224 0.000 2.374 90 W HA -0.103 4.565 4.660 0.014 0.000 0.288 90 W C 1.068 177.565 176.519 -0.036 0.000 1.218 90 W CA 0.858 58.083 57.345 -0.201 0.000 1.245 90 W CB -0.438 28.866 29.460 -0.260 0.000 1.126 90 W HN 0.497 nan 8.180 nan 0.000 0.545 91 Q N 0.572 120.358 119.800 -0.023 0.000 2.181 91 Q HA -0.164 4.184 4.340 0.014 0.000 0.205 91 Q C 2.152 178.095 176.000 -0.095 0.000 0.980 91 Q CA 2.191 57.967 55.803 -0.044 0.000 0.862 91 Q CB -0.663 27.930 28.738 -0.241 0.000 0.905 91 Q HN 0.289 nan 8.270 nan 0.000 0.429 92 M N -0.907 118.589 119.600 -0.174 0.000 2.630 92 M HA -0.047 4.441 4.480 0.014 0.000 0.254 92 M C 0.695 177.024 176.300 0.047 0.000 1.092 92 M CA 1.326 56.538 55.300 -0.147 0.000 1.087 92 M CB -0.556 31.927 32.600 -0.194 0.000 1.453 92 M HN 0.383 nan 8.290 nan 0.000 0.509 93 H N -0.871 118.239 119.070 0.066 0.000 2.586 93 H HA 0.262 4.826 4.556 0.014 0.000 0.273 93 H C 1.317 176.577 175.328 -0.113 0.000 0.997 93 H CA 0.160 56.248 56.048 0.066 0.000 1.177 93 H CB 0.551 30.483 29.762 0.283 0.000 1.471 93 H HN 0.549 nan 8.280 nan 0.000 0.538 94 G N 0.574 109.403 108.800 0.048 0.000 2.157 94 G HA2 -0.368 3.601 3.960 0.014 0.000 0.248 94 G HA3 -0.368 3.601 3.960 0.014 0.000 0.248 94 G C 0.423 175.209 174.900 -0.190 0.000 0.979 94 G CA 0.373 45.421 45.100 -0.086 0.000 0.650 94 G HN 0.464 nan 8.290 nan 0.000 0.529 95 Y N 1.683 122.003 120.300 0.034 0.000 2.333 95 Y HA 0.209 4.767 4.550 0.013 0.000 0.290 95 Y C 1.691 177.348 175.900 -0.406 0.000 1.144 95 Y CA 1.697 59.685 58.100 -0.187 0.000 1.228 95 Y CB 0.146 38.567 38.460 -0.064 0.000 0.985 95 Y HN 0.672 nan 8.280 nan 0.000 0.542 96 D N -1.986 118.467 120.400 0.090 0.000 2.665 96 D HA 0.464 5.112 4.640 0.014 0.000 0.287 96 D C -1.233 175.143 176.300 0.126 0.000 1.266 96 D CA -0.789 53.261 54.000 0.083 0.000 0.830 96 D CB 0.766 41.709 40.800 0.239 0.000 1.356 96 D HN -0.077 nan 8.370 nan 0.000 0.437 97 A N 0.165 123.070 122.820 0.141 0.000 2.327 97 A HA 0.686 5.015 4.320 0.014 0.000 0.283 97 A C -2.328 175.287 177.584 0.051 0.000 1.127 97 A CA -1.150 50.953 52.037 0.111 0.000 0.810 97 A CB 0.120 19.248 19.000 0.213 0.000 1.066 97 A HN 0.524 nan 8.150 nan 0.000 0.492 98 P HA 0.421 nan 4.420 nan 0.000 0.279 98 P C -0.873 176.599 177.300 0.287 0.000 1.239 98 P CA 0.101 63.131 63.100 -0.117 0.000 0.789 98 P CB 0.796 32.097 31.700 -0.666 0.000 0.933 99 I N 2.884 123.716 120.570 0.437 0.000 2.404 99 I HA 0.248 4.426 4.170 0.014 0.000 0.293 99 I C -0.454 175.882 176.117 0.365 0.000 0.992 99 I CA -0.972 60.584 61.300 0.427 0.000 1.149 99 I CB 1.517 39.699 38.000 0.304 0.000 1.315 99 I HN 0.301 nan 8.210 nan 0.000 0.446 100 Y N 6.109 126.372 120.300 -0.061 0.000 2.587 100 Y HA 0.456 5.014 4.550 0.013 0.000 0.328 100 Y C -0.304 175.445 175.900 -0.251 0.000 0.980 100 Y CA -0.601 57.166 58.100 -0.556 0.000 1.272 100 Y CB 1.022 38.655 38.460 -1.380 0.000 1.094 100 Y HN 0.522 nan 8.280 nan 0.000 0.503 101 T N 4.932 118.964 114.554 -0.871 0.000 2.863 101 T HA 0.259 4.617 4.350 0.014 0.000 0.285 101 T C 0.363 174.592 174.700 -0.786 0.000 1.009 101 T CA -0.554 61.076 62.100 -0.783 0.000 0.989 101 T CB 1.063 69.719 68.868 -0.353 0.000 1.004 101 T HN 0.750 nan 8.240 nan 0.000 0.455 102 N N 2.855 121.155 118.700 -0.666 0.000 2.272 102 N HA 0.025 4.773 4.740 0.014 0.000 0.195 102 N C 1.570 176.879 175.510 -0.336 0.000 1.048 102 N CA 1.595 54.404 53.050 -0.400 0.000 0.912 102 N CB -0.652 37.620 38.487 -0.358 0.000 1.096 102 N HN 0.399 nan 8.380 nan 0.000 0.471 103 V N 0.372 120.064 119.914 -0.370 0.000 2.436 103 V HA 0.100 4.229 4.120 0.014 0.000 0.240 103 V C 0.472 176.343 176.094 -0.371 0.000 1.040 103 V CA 0.907 62.987 62.300 -0.366 0.000 1.052 103 V CB -0.819 30.787 31.823 -0.361 0.000 0.707 103 V HN 0.317 nan 8.190 nan 0.000 0.469 104 T N 1.162 115.539 114.554 -0.295 0.000 2.871 104 T HA 0.116 4.475 4.350 0.014 0.000 0.296 104 T C -0.326 174.260 174.700 -0.191 0.000 0.998 104 T CA 0.294 62.273 62.100 -0.201 0.000 1.162 104 T CB -0.292 68.483 68.868 -0.154 0.000 0.947 104 T HN 0.182 nan 8.240 nan 0.000 0.536 105 Y N 4.782 124.995 120.300 -0.144 0.000 2.578 105 Y HA 0.116 4.674 4.550 0.013 0.000 0.339 105 Y C -0.809 174.976 175.900 -0.191 0.000 1.231 105 Y CA -1.619 56.382 58.100 -0.166 0.000 1.461 105 Y CB 0.439 38.792 38.460 -0.178 0.000 1.323 105 Y HN 0.511 nan 8.280 nan 0.000 0.590 106 P HA 0.045 nan 4.420 nan 0.000 0.249 106 P C -0.472 176.640 177.300 -0.314 0.000 1.229 106 P CA 0.931 63.951 63.100 -0.133 0.000 0.788 106 P CB -0.003 31.663 31.700 -0.057 0.000 1.072 107 I N -5.188 115.164 120.570 -0.364 0.000 2.828 107 I HA 0.481 4.659 4.170 0.014 0.000 0.302 107 I C -0.614 175.369 176.117 -0.224 0.000 1.101 107 I CA -1.182 59.861 61.300 -0.428 0.000 1.031 107 I CB 1.936 39.514 38.000 -0.704 0.000 1.231 107 I HN -0.455 nan 8.210 nan 0.000 0.427 108 T N 3.114 117.582 114.554 -0.143 0.000 2.946 108 T HA 0.096 4.454 4.350 0.014 0.000 0.312 108 T C 0.296 174.975 174.700 -0.035 0.000 1.066 108 T CA -0.147 61.917 62.100 -0.059 0.000 1.138 108 T CB 0.580 69.438 68.868 -0.017 0.000 1.014 108 T HN 0.392 nan 8.240 nan 0.000 0.544 109 V N 4.700 124.605 119.914 -0.015 0.000 2.381 109 V HA 0.197 4.325 4.120 0.014 0.000 0.257 109 V C 0.704 176.837 176.094 0.067 0.000 1.057 109 V CA -0.065 62.241 62.300 0.010 0.000 1.013 109 V CB -0.340 31.468 31.823 -0.025 0.000 1.069 109 V HN 0.884 nan 8.190 nan 0.000 0.484 110 N N 5.993 124.798 118.700 0.174 0.000 2.666 110 N HA 0.254 5.002 4.740 0.014 0.000 0.253 110 N C -2.936 172.629 175.510 0.093 0.000 1.621 110 N CA -1.164 51.971 53.050 0.142 0.000 0.785 110 N CB 1.445 40.050 38.487 0.196 0.000 1.332 110 N HN 0.265 nan 8.380 nan 0.000 0.514 111 P HA 0.152 nan 4.420 nan 0.000 0.265 111 P C -2.195 174.876 177.300 -0.382 0.000 1.193 111 P CA -0.664 61.977 63.100 -0.765 0.000 0.765 111 P CB 0.551 31.753 31.700 -0.830 0.000 0.823 112 P HA 0.202 nan 4.420 nan 0.000 0.263 112 P C -0.357 176.781 177.300 -0.269 0.000 1.448 112 P CA -0.266 62.572 63.100 -0.437 0.000 0.983 112 P CB 0.005 31.425 31.700 -0.467 0.000 1.481 113 F N 1.152 121.189 119.950 0.145 0.000 2.418 113 F HA 0.261 4.797 4.527 0.014 0.000 0.341 113 F C 1.409 177.384 175.800 0.291 0.000 1.120 113 F CA -0.638 57.476 58.000 0.189 0.000 1.232 113 F CB 0.748 39.806 39.000 0.098 0.000 1.175 113 F HN -0.193 nan 8.300 nan 0.000 0.569 114 V N -0.178 120.008 119.914 0.453 0.000 3.113 114 V HA 0.718 4.846 4.120 0.014 0.000 0.316 114 V C -2.806 173.451 176.094 0.272 0.000 1.125 114 V CA -2.934 59.554 62.300 0.314 0.000 1.026 114 V CB 1.590 33.645 31.823 0.388 0.000 1.080 114 V HN 0.465 nan 8.190 nan 0.000 0.444 115 P HA 0.229 nan 4.420 nan 0.000 0.271 115 P C 1.075 178.519 177.300 0.240 0.000 1.216 115 P CA 0.502 63.701 63.100 0.165 0.000 0.776 115 P CB 0.816 32.581 31.700 0.109 0.000 0.881 116 T N -0.884 113.782 114.554 0.187 0.000 2.788 116 T HA -0.153 4.205 4.350 0.014 0.000 0.268 116 T C 0.346 175.162 174.700 0.194 0.000 1.044 116 T CA 1.045 63.259 62.100 0.190 0.000 1.139 116 T CB -0.666 68.280 68.868 0.130 0.000 0.867 116 T HN 0.328 nan 8.240 nan 0.000 0.454 117 E N 2.686 123.000 120.200 0.190 0.000 1.996 117 E HA 0.439 4.798 4.350 0.014 0.000 0.280 117 E C -0.655 176.108 176.600 0.273 0.000 1.092 117 E CA -0.280 56.240 56.400 0.200 0.000 0.862 117 E CB 0.316 30.135 29.700 0.200 0.000 1.066 117 E HN 0.307 nan 8.360 nan 0.000 0.396 118 N N 3.872 122.704 118.700 0.220 0.000 2.682 118 N HA 0.256 5.004 4.740 0.014 0.000 0.252 118 N C -2.786 172.755 175.510 0.052 0.000 1.081 118 N CA -2.716 50.485 53.050 0.252 0.000 0.844 118 N CB 0.873 39.525 38.487 0.275 0.000 1.167 118 N HN 0.038 nan 8.380 nan 0.000 0.523 119 P HA -0.045 nan 4.420 nan 0.000 0.255 119 P C -0.773 176.445 177.300 -0.138 0.000 1.151 119 P CA 0.638 63.706 63.100 -0.053 0.000 0.767 119 P CB 0.075 32.034 31.700 0.432 0.000 0.736 120 T N 3.027 117.244 114.554 -0.562 0.000 2.779 120 T HA 0.547 4.905 4.350 0.014 0.000 0.280 120 T C 0.516 174.727 174.700 -0.814 0.000 0.987 120 T CA -0.539 61.283 62.100 -0.464 0.000 0.966 120 T CB 1.535 70.174 68.868 -0.381 0.000 0.933 120 T HN 0.330 nan 8.240 nan 0.000 0.442 121 G N 1.104 109.490 108.800 -0.691 0.000 2.384 121 G HA2 0.463 4.432 3.960 0.014 0.000 0.316 121 G HA3 0.463 4.432 3.960 0.014 0.000 0.316 121 G C -0.279 174.439 174.900 -0.304 0.000 1.160 121 G CA -0.373 44.230 45.100 -0.827 0.000 0.936 121 G HN 0.860 nan 8.290 nan 0.000 0.455 122 C N 3.501 122.373 119.300 -0.714 0.000 2.203 122 C HA 0.465 4.933 4.460 0.014 0.000 0.325 122 C C -0.502 174.421 174.990 -0.110 0.000 1.156 122 C CA -0.929 57.777 59.018 -0.520 0.000 1.597 122 C CB -1.778 25.222 27.740 -1.234 0.000 2.148 122 C HN 0.632 nan 8.230 nan 0.000 0.472 123 Y N 1.951 122.496 120.300 0.408 0.000 2.387 123 Y HA 0.645 5.203 4.550 0.014 0.000 0.330 123 Y C 0.774 177.122 175.900 0.747 0.000 1.133 123 Y CA -0.215 58.251 58.100 0.610 0.000 1.152 123 Y CB 1.458 40.258 38.460 0.566 0.000 1.215 123 Y HN 0.647 nan 8.280 nan 0.000 0.466 124 S N 2.185 118.381 115.700 0.826 0.000 2.550 124 S HA 0.803 5.281 4.470 0.014 0.000 0.270 124 S C -1.959 172.754 174.600 0.188 0.000 1.145 124 S CA -0.801 57.681 58.200 0.471 0.000 0.852 124 S CB 2.037 65.419 63.200 0.303 0.000 1.119 124 S HN 0.645 nan 8.310 nan 0.000 0.465 125 L N 0.912 122.047 121.223 -0.146 0.000 2.493 125 L HA 0.754 5.102 4.340 0.014 0.000 0.265 125 L C -1.175 175.646 176.870 -0.081 0.000 0.954 125 L CA 0.146 54.716 54.840 -0.451 0.000 0.844 125 L CB 2.353 43.580 42.059 -1.387 0.000 1.302 125 L HN 0.912 nan 8.230 nan 0.000 0.405 126 T N 5.654 120.187 114.554 -0.036 0.000 2.770 126 T HA 0.757 5.115 4.350 0.014 0.000 0.283 126 T C -0.925 173.824 174.700 0.083 0.000 0.988 126 T CA -0.059 62.056 62.100 0.026 0.000 0.957 126 T CB 0.326 69.175 68.868 -0.033 0.000 0.930 126 T HN 0.470 nan 8.240 nan 0.000 0.443 127 F N 1.464 121.315 119.950 -0.165 0.000 2.685 127 F HA 0.726 5.262 4.527 0.014 0.000 0.315 127 F C -0.708 175.014 175.800 -0.130 0.000 1.126 127 F CA -1.566 56.339 58.000 -0.159 0.000 0.950 127 F CB 1.390 40.272 39.000 -0.198 0.000 1.360 127 F HN 0.497 nan 8.300 nan 0.000 0.469 128 N N 0.070 118.647 118.700 -0.205 0.000 2.404 128 N HA 0.742 5.490 4.740 0.014 0.000 0.297 128 N C -2.161 173.213 175.510 -0.227 0.000 1.163 128 N CA -0.662 52.210 53.050 -0.298 0.000 0.864 128 N CB 2.397 40.768 38.487 -0.193 0.000 1.247 128 N HN 0.614 nan 8.380 nan 0.000 0.510 129 V N 1.176 120.932 119.914 -0.263 0.000 2.638 129 V HA 0.247 4.376 4.120 0.014 0.000 0.306 129 V C -0.815 175.147 176.094 -0.221 0.000 1.052 129 V CA -0.834 61.309 62.300 -0.261 0.000 0.885 129 V CB 1.368 33.098 31.823 -0.156 0.000 0.999 129 V HN 0.920 nan 8.190 nan 0.000 0.424 130 D N 2.531 122.746 120.400 -0.309 0.000 2.350 130 D HA 0.081 4.730 4.640 0.014 0.000 0.249 130 D C 1.023 177.331 176.300 0.014 0.000 1.119 130 D CA 0.068 53.987 54.000 -0.135 0.000 0.886 130 D CB 1.514 42.247 40.800 -0.112 0.000 1.195 130 D HN 0.673 nan 8.370 nan 0.000 0.437 131 E N 1.444 121.666 120.200 0.036 0.000 2.171 131 E HA -0.248 4.110 4.350 0.014 0.000 0.197 131 E C 1.735 178.414 176.600 0.130 0.000 0.997 131 E CA 1.597 58.042 56.400 0.074 0.000 0.810 131 E CB 0.053 29.778 29.700 0.041 0.000 0.738 131 E HN 0.629 nan 8.360 nan 0.000 0.467 132 S N -0.635 115.153 115.700 0.147 0.000 2.419 132 S HA -0.188 4.290 4.470 0.014 0.000 0.235 132 S C 1.525 176.218 174.600 0.156 0.000 1.019 132 S CA 0.936 59.216 58.200 0.133 0.000 0.982 132 S CB -0.538 62.741 63.200 0.132 0.000 0.789 132 S HN 0.402 nan 8.310 nan 0.000 0.490 133 W N 1.492 122.746 121.300 -0.076 0.000 2.467 133 W HA 0.370 5.039 4.660 0.014 0.000 0.275 133 W C 1.990 178.579 176.519 0.117 0.000 1.239 133 W CA -0.027 57.276 57.345 -0.070 0.000 1.266 133 W CB -0.406 29.073 29.460 0.033 0.000 1.112 133 W HN 0.311 nan 8.180 nan 0.000 0.576 134 L N -0.211 121.203 121.223 0.318 0.000 2.354 134 L HA -0.068 4.280 4.340 0.014 0.000 0.212 134 L C 2.470 179.433 176.870 0.153 0.000 1.091 134 L CA 0.472 55.446 54.840 0.223 0.000 0.828 134 L CB -0.808 41.347 42.059 0.161 0.000 0.973 134 L HN -0.083 nan 8.230 nan 0.000 0.461 135 Q N 1.476 121.351 119.800 0.125 0.000 2.135 135 Q HA -0.127 4.221 4.340 0.014 0.000 0.204 135 Q C 0.428 176.478 176.000 0.084 0.000 0.981 135 Q CA 1.281 57.134 55.803 0.083 0.000 0.856 135 Q CB -0.248 28.525 28.738 0.059 0.000 0.902 135 Q HN 0.705 nan 8.270 nan 0.000 0.425 136 E N -1.744 118.524 120.200 0.114 0.000 2.449 136 E HA 0.539 4.897 4.350 0.014 0.000 0.278 136 E C -0.146 176.567 176.600 0.188 0.000 0.992 136 E CA -0.529 55.936 56.400 0.109 0.000 0.807 136 E CB 1.716 31.459 29.700 0.071 0.000 1.350 136 E HN 0.097 nan 8.360 nan 0.000 0.462 137 G N 0.618 109.467 108.800 0.082 0.000 2.725 137 G HA2 -0.245 3.723 3.960 0.014 0.000 0.220 137 G HA3 -0.245 3.723 3.960 0.014 0.000 0.220 137 G C -0.899 173.906 174.900 -0.159 0.000 1.357 137 G CA 0.002 45.063 45.100 -0.064 0.000 0.866 137 G HN 0.744 nan 8.290 nan 0.000 0.548 138 Q N -0.324 119.221 119.800 -0.425 0.000 2.331 138 Q HA 0.628 4.976 4.340 0.014 0.000 0.267 138 Q C -0.845 174.987 176.000 -0.281 0.000 1.006 138 Q CA -0.451 55.201 55.803 -0.252 0.000 0.818 138 Q CB 1.323 29.959 28.738 -0.169 0.000 1.276 138 Q HN 0.602 nan 8.270 nan 0.000 0.450 139 T N 5.141 119.704 114.554 0.014 0.000 2.756 139 T HA 0.454 4.812 4.350 0.014 0.000 0.290 139 T C -0.601 174.209 174.700 0.183 0.000 0.985 139 T CA -0.609 61.607 62.100 0.193 0.000 0.955 139 T CB 0.464 69.610 68.868 0.464 0.000 0.930 139 T HN 0.633 nan 8.240 nan 0.000 0.451 140 R N 3.119 123.716 120.500 0.162 0.000 2.740 140 R HA 0.778 5.126 4.340 0.014 0.000 0.282 140 R C -1.091 175.295 176.300 0.143 0.000 0.969 140 R CA -0.960 55.229 56.100 0.147 0.000 0.918 140 R CB 1.516 31.877 30.300 0.102 0.000 1.175 140 R HN 0.585 nan 8.270 nan 0.000 0.464 141 I N 3.210 123.855 120.570 0.125 0.000 2.562 141 I HA 0.484 4.662 4.170 0.014 0.000 0.301 141 I C -1.207 174.913 176.117 0.004 0.000 1.003 141 I CA -1.379 59.930 61.300 0.015 0.000 1.127 141 I CB 1.409 39.398 38.000 -0.019 0.000 1.304 141 I HN 0.687 nan 8.210 nan 0.000 0.446 142 I N 6.765 127.241 120.570 -0.156 0.000 2.499 142 I HA 0.302 4.480 4.170 0.014 0.000 0.288 142 I C -1.357 174.587 176.117 -0.287 0.000 1.048 142 I CA -0.350 60.896 61.300 -0.091 0.000 1.062 142 I CB 1.923 39.883 38.000 -0.066 0.000 1.238 142 I HN 0.387 nan 8.210 nan 0.000 0.426 143 F N 4.499 124.428 119.950 -0.036 0.000 2.332 143 F HA 0.279 4.814 4.527 0.013 0.000 0.368 143 F C 1.275 176.964 175.800 -0.185 0.000 1.110 143 F CA -0.416 57.492 58.000 -0.153 0.000 1.087 143 F CB 0.917 39.792 39.000 -0.208 0.000 1.235 143 F HN 0.471 nan 8.300 nan 0.000 0.470 144 D N 2.400 122.720 120.400 -0.133 0.000 2.178 144 D HA -0.004 4.645 4.640 0.014 0.000 0.201 144 D C 1.039 177.179 176.300 -0.266 0.000 0.980 144 D CA 1.051 54.929 54.000 -0.203 0.000 0.842 144 D CB 0.288 40.912 40.800 -0.294 0.000 0.948 144 D HN 0.601 nan 8.370 nan 0.000 0.472 145 G N -0.517 108.047 108.800 -0.394 0.000 2.608 145 G HA2 0.468 4.436 3.960 0.014 0.000 0.285 145 G HA3 0.468 4.436 3.960 0.014 0.000 0.285 145 G C -1.459 173.156 174.900 -0.475 0.000 1.407 145 G CA -0.355 44.359 45.100 -0.643 0.000 1.276 145 G HN -0.052 nan 8.290 nan 0.000 0.587 146 V N 2.847 122.703 119.914 -0.097 0.000 2.524 146 V HA 0.469 4.597 4.120 0.014 0.000 0.297 146 V C -0.868 175.320 176.094 0.157 0.000 1.035 146 V CA -1.159 61.105 62.300 -0.061 0.000 0.867 146 V CB 1.838 33.398 31.823 -0.438 0.000 1.004 146 V HN 0.698 nan 8.190 nan 0.000 0.426 147 N N 2.508 121.307 118.700 0.165 0.000 2.417 147 N HA 0.335 5.084 4.740 0.014 0.000 0.274 147 N C 0.664 176.122 175.510 -0.087 0.000 0.987 147 N CA 0.166 53.221 53.050 0.008 0.000 0.912 147 N CB 2.223 40.565 38.487 -0.242 0.000 1.177 147 N HN 0.665 nan 8.380 nan 0.000 0.490 148 S N 1.874 117.551 115.700 -0.039 0.000 2.526 148 S HA 0.584 5.063 4.470 0.014 0.000 0.220 148 S C 0.293 174.950 174.600 0.095 0.000 1.017 148 S CA 0.092 58.314 58.200 0.037 0.000 0.930 148 S CB 0.296 63.525 63.200 0.049 0.000 0.856 148 S HN 0.681 nan 8.310 nan 0.000 0.497 149 A N 0.746 123.636 122.820 0.117 0.000 2.601 149 A HA 0.781 5.109 4.320 0.014 0.000 0.291 149 A C -1.376 176.294 177.584 0.143 0.000 1.075 149 A CA -0.931 51.129 52.037 0.037 0.000 0.671 149 A CB 0.720 19.752 19.000 0.053 0.000 1.277 149 A HN 1.178 nan 8.150 nan 0.000 0.417 150 F N -1.055 118.699 119.950 -0.326 0.000 2.744 150 F HA 0.712 5.247 4.527 0.013 0.000 0.311 150 F C -1.301 174.398 175.800 -0.169 0.000 1.144 150 F CA -0.824 57.088 58.000 -0.148 0.000 0.938 150 F CB 0.984 39.884 39.000 -0.166 0.000 1.292 150 F HN 0.647 nan 8.300 nan 0.000 0.444 151 H N 1.769 121.006 119.070 0.280 0.000 2.492 151 H HA 0.738 5.302 4.556 0.014 0.000 0.345 151 H C -1.479 173.796 175.328 -0.088 0.000 1.136 151 H CA -0.756 55.312 56.048 0.033 0.000 1.202 151 H CB 2.509 32.280 29.762 0.015 0.000 1.524 151 H HN 0.767 nan 8.280 nan 0.000 0.506 152 L N 2.996 123.948 121.223 -0.452 0.000 2.386 152 L HA 0.419 4.767 4.340 0.014 0.000 0.271 152 L C -1.634 174.855 176.870 -0.636 0.000 0.993 152 L CA -0.527 54.100 54.840 -0.354 0.000 0.819 152 L CB 1.457 43.219 42.059 -0.494 0.000 1.294 152 L HN 0.522 nan 8.230 nan 0.000 0.414 153 W N 4.209 125.445 121.300 -0.106 0.000 2.864 153 W HA 0.630 5.299 4.660 0.014 0.000 0.343 153 W C -1.172 175.274 176.519 -0.122 0.000 1.109 153 W CA -0.787 56.489 57.345 -0.116 0.000 1.192 153 W CB 2.080 31.515 29.460 -0.043 0.000 1.426 153 W HN 0.605 nan 8.180 nan 0.000 0.529 154 C N 4.104 123.485 119.300 0.135 0.000 2.446 154 C HA 0.270 4.738 4.460 0.014 0.000 0.329 154 C C 0.310 175.427 174.990 0.211 0.000 1.166 154 C CA -0.394 58.701 59.018 0.128 0.000 1.341 154 C CB -0.325 27.438 27.740 0.039 0.000 1.970 154 C HN 0.818 nan 8.230 nan 0.000 0.452 155 N N 3.304 122.083 118.700 0.133 0.000 2.710 155 N HA -0.203 4.545 4.740 0.014 0.000 0.249 155 N C 1.006 176.582 175.510 0.110 0.000 1.059 155 N CA 2.161 55.268 53.050 0.094 0.000 0.720 155 N CB -1.231 37.322 38.487 0.110 0.000 0.983 155 N HN 1.817 nan 8.380 nan 0.000 0.544 156 G N -1.495 107.368 108.800 0.105 0.000 2.225 156 G HA2 -0.366 3.602 3.960 0.014 0.000 0.254 156 G HA3 -0.366 3.602 3.960 0.014 0.000 0.254 156 G C 0.101 175.168 174.900 0.278 0.000 0.988 156 G CA 0.577 45.734 45.100 0.095 0.000 0.625 156 G HN 0.596 nan 8.290 nan 0.000 0.527 157 R N -0.967 119.764 120.500 0.385 0.000 2.428 157 R HA 0.526 4.875 4.340 0.014 0.000 0.294 157 R C -0.185 176.451 176.300 0.560 0.000 1.000 157 R CA -0.808 55.598 56.100 0.509 0.000 0.960 157 R CB 1.039 31.660 30.300 0.535 0.000 1.076 157 R HN 0.215 nan 8.270 nan 0.000 0.475 158 W N 3.144 124.634 121.300 0.316 0.000 2.253 158 W HA 0.147 4.815 4.660 0.013 0.000 0.322 158 W C 0.087 176.492 176.519 -0.190 0.000 1.342 158 W CA -0.105 57.118 57.345 -0.204 0.000 1.218 158 W CB 0.684 30.028 29.460 -0.193 0.000 1.205 158 W HN 0.349 nan 8.180 nan 0.000 0.551 159 V N 5.355 124.548 119.914 -1.203 0.000 2.490 159 V HA 0.516 4.644 4.120 0.014 0.000 0.238 159 V C 1.090 176.236 176.094 -1.581 0.000 1.056 159 V CA 1.241 62.792 62.300 -1.248 0.000 1.075 159 V CB -0.516 30.614 31.823 -1.155 0.000 0.746 159 V HN 0.794 nan 8.190 nan 0.000 0.479 160 G N -2.074 105.549 108.800 -1.962 0.000 2.490 160 G HA2 0.479 4.448 3.960 0.014 0.000 0.308 160 G HA3 0.479 4.448 3.960 0.014 0.000 0.308 160 G C -2.418 171.934 174.900 -0.914 0.000 1.286 160 G CA -0.261 43.954 45.100 -1.475 0.000 0.825 160 G HN 0.020 nan 8.290 nan 0.000 0.479 161 Y N -0.593 119.400 120.300 -0.511 0.000 2.562 161 Y HA 0.700 5.258 4.550 0.013 0.000 0.345 161 Y C -0.057 175.620 175.900 -0.372 0.000 1.045 161 Y CA -0.032 57.739 58.100 -0.549 0.000 1.028 161 Y CB 2.246 40.549 38.460 -0.261 0.000 1.297 161 Y HN 1.206 nan 8.280 nan 0.000 0.463 162 G N 3.520 111.434 108.800 -1.478 0.000 2.704 162 G HA2 0.582 4.550 3.960 0.014 0.000 0.293 162 G HA3 0.582 4.550 3.960 0.014 0.000 0.293 162 G C -2.096 172.280 174.900 -0.872 0.000 1.421 162 G CA -0.880 43.699 45.100 -0.869 0.000 0.870 162 G HN 0.617 nan 8.290 nan 0.000 0.492 163 Q N -0.431 119.141 119.800 -0.380 0.000 2.633 163 Q HA 0.585 4.933 4.340 0.014 0.000 0.292 163 Q C -1.337 174.650 176.000 -0.023 0.000 1.089 163 Q CA -0.843 54.868 55.803 -0.153 0.000 0.811 163 Q CB 2.481 31.187 28.738 -0.052 0.000 1.472 163 Q HN 0.630 nan 8.270 nan 0.000 0.464 164 D N -0.168 120.260 120.400 0.047 0.000 4.535 164 D HA -0.101 4.547 4.640 0.014 0.000 0.236 164 D C -0.451 175.908 176.300 0.098 0.000 1.142 164 D CA 0.406 54.451 54.000 0.075 0.000 1.102 164 D CB -0.621 40.207 40.800 0.048 0.000 0.703 164 D HN 0.516 nan 8.370 nan 0.000 0.331 165 S N 2.868 118.643 115.700 0.125 0.000 2.500 165 S HA -0.074 4.404 4.470 0.014 0.000 0.239 165 S C 1.508 176.245 174.600 0.227 0.000 0.989 165 S CA 0.690 58.996 58.200 0.178 0.000 0.951 165 S CB 0.203 63.472 63.200 0.115 0.000 0.759 165 S HN 0.430 nan 8.310 nan 0.000 0.523 166 R N 0.024 120.616 120.500 0.154 0.000 2.600 166 R HA 0.410 4.758 4.340 0.014 0.000 0.392 166 R C -0.691 175.667 176.300 0.098 0.000 1.032 166 R CA 0.042 56.234 56.100 0.154 0.000 1.139 166 R CB 0.281 30.692 30.300 0.185 0.000 1.400 166 R HN 0.294 nan 8.270 nan 0.000 0.566 167 L N 1.714 122.966 121.223 0.048 0.000 2.371 167 L HA 0.517 4.865 4.340 0.014 0.000 0.262 167 L C -2.332 174.518 176.870 -0.034 0.000 1.006 167 L CA -2.260 52.579 54.840 -0.002 0.000 0.818 167 L CB 2.950 44.998 42.059 -0.017 0.000 1.354 167 L HN -0.189 nan 8.230 nan 0.000 0.415 168 P HA 0.073 nan 4.420 nan 0.000 0.268 168 P C -0.932 176.341 177.300 -0.046 0.000 1.205 168 P CA -0.132 62.925 63.100 -0.072 0.000 0.771 168 P CB 1.108 32.726 31.700 -0.136 0.000 0.858 169 S N 1.830 117.568 115.700 0.062 0.000 2.478 169 S HA 0.326 4.804 4.470 0.014 0.000 0.312 169 S C -0.482 174.129 174.600 0.017 0.000 1.094 169 S CA -0.588 57.623 58.200 0.019 0.000 1.081 169 S CB 0.969 64.324 63.200 0.258 0.000 1.007 169 S HN 0.375 nan 8.310 nan 0.000 0.475 170 E N 1.951 121.972 120.200 -0.299 0.000 2.212 170 E HA 0.588 4.947 4.350 0.014 0.000 0.268 170 E C -1.460 174.863 176.600 -0.461 0.000 0.902 170 E CA -0.582 55.712 56.400 -0.177 0.000 0.779 170 E CB 1.685 31.346 29.700 -0.065 0.000 1.172 170 E HN 0.407 nan 8.360 nan 0.000 0.409 171 F N 0.674 120.671 119.950 0.079 0.000 2.569 171 F HA 0.210 4.745 4.527 0.014 0.000 0.312 171 F C -0.072 175.753 175.800 0.043 0.000 1.109 171 F CA -1.122 56.895 58.000 0.028 0.000 0.919 171 F CB 1.623 40.606 39.000 -0.027 0.000 1.211 171 F HN 0.290 nan 8.300 nan 0.000 0.446 172 D N 2.912 123.437 120.400 0.209 0.000 2.317 172 D HA 0.251 4.899 4.640 0.014 0.000 0.252 172 D C 0.226 176.677 176.300 0.253 0.000 1.174 172 D CA 0.247 54.360 54.000 0.187 0.000 0.866 172 D CB 1.120 42.016 40.800 0.160 0.000 1.127 172 D HN 0.597 nan 8.370 nan 0.000 0.467 173 L N 2.794 124.173 121.223 0.259 0.000 2.728 173 L HA 0.051 4.399 4.340 0.014 0.000 0.238 173 L C 2.129 179.245 176.870 0.409 0.000 1.143 173 L CA -0.220 54.837 54.840 0.361 0.000 0.937 173 L CB 0.093 42.310 42.059 0.263 0.000 1.225 173 L HN 0.290 nan 8.230 nan 0.000 0.507 174 S N 1.487 117.357 115.700 0.283 0.000 2.393 174 S HA -0.330 4.148 4.470 0.014 0.000 0.235 174 S C 2.078 176.772 174.600 0.156 0.000 1.061 174 S CA 2.095 60.415 58.200 0.201 0.000 1.129 174 S CB -0.202 63.076 63.200 0.131 0.000 1.011 174 S HN 0.581 nan 8.310 nan 0.000 0.436 175 A N -0.602 122.281 122.820 0.105 0.000 2.209 175 A HA 0.207 4.535 4.320 0.014 0.000 0.212 175 A C 1.560 178.991 177.584 -0.254 0.000 1.158 175 A CA 0.645 52.622 52.037 -0.101 0.000 0.742 175 A CB -0.527 18.343 19.000 -0.218 0.000 0.790 175 A HN 0.489 nan 8.150 nan 0.000 0.472 176 F N -0.445 119.550 119.950 0.074 0.000 2.505 176 F HA 0.289 4.824 4.527 0.013 0.000 0.289 176 F C 0.843 176.681 175.800 0.064 0.000 1.101 176 F CA -0.005 58.038 58.000 0.071 0.000 1.446 176 F CB -0.100 38.949 39.000 0.082 0.000 1.123 176 F HN -0.005 nan 8.300 nan 0.000 0.564 177 L N 0.825 122.198 121.223 0.251 0.000 2.468 177 L HA 0.398 4.746 4.340 0.014 0.000 0.254 177 L C 0.315 177.229 176.870 0.074 0.000 1.171 177 L CA -0.598 54.333 54.840 0.152 0.000 0.809 177 L CB 0.474 42.629 42.059 0.159 0.000 1.155 177 L HN 0.004 nan 8.230 nan 0.000 0.473 178 R N 0.799 121.310 120.500 0.018 0.000 2.771 178 R HA 0.793 5.141 4.340 0.014 0.000 0.274 178 R C -1.076 175.203 176.300 -0.036 0.000 0.987 178 R CA -0.826 55.270 56.100 -0.006 0.000 0.908 178 R CB 1.544 31.832 30.300 -0.021 0.000 1.213 178 R HN 0.618 nan 8.270 nan 0.000 0.468 179 A N 1.556 124.363 122.820 -0.022 0.000 2.507 179 A HA 0.453 4.781 4.320 0.014 0.000 0.235 179 A C 1.146 178.681 177.584 -0.082 0.000 1.070 179 A CA 1.121 53.135 52.037 -0.039 0.000 0.768 179 A CB -0.751 18.239 19.000 -0.017 0.000 1.011 179 A HN 1.477 nan 8.150 nan 0.000 0.502 180 G N 0.632 109.369 108.800 -0.106 0.000 2.527 180 G HA2 -0.187 3.781 3.960 0.014 0.000 0.268 180 G HA3 -0.187 3.781 3.960 0.014 0.000 0.268 180 G C -0.117 174.654 174.900 -0.215 0.000 1.175 180 G CA 0.202 45.221 45.100 -0.133 0.000 0.962 180 G HN 1.040 nan 8.290 nan 0.000 0.560 181 E N 2.198 122.277 120.200 -0.202 0.000 2.360 181 E HA 0.289 4.647 4.350 0.014 0.000 0.269 181 E C 0.211 176.614 176.600 -0.329 0.000 1.022 181 E CA 0.196 56.434 56.400 -0.271 0.000 0.887 181 E CB 0.483 30.075 29.700 -0.180 0.000 0.990 181 E HN 0.493 nan 8.360 nan 0.000 0.426 182 N N 2.147 120.513 118.700 -0.556 0.000 2.455 182 N HA 0.382 5.130 4.740 0.014 0.000 0.278 182 N C -0.783 174.483 175.510 -0.406 0.000 1.291 182 N CA -0.691 52.038 53.050 -0.534 0.000 0.780 182 N CB 2.740 40.837 38.487 -0.649 0.000 1.520 182 N HN 0.225 nan 8.380 nan 0.000 0.486 183 R N 1.470 121.900 120.500 -0.116 0.000 2.532 183 R HA 0.477 4.825 4.340 0.014 0.000 0.297 183 R C -1.384 174.987 176.300 0.119 0.000 0.984 183 R CA -0.465 55.652 56.100 0.028 0.000 0.884 183 R CB 1.166 31.438 30.300 -0.046 0.000 1.182 183 R HN 0.506 nan 8.270 nan 0.000 0.442 184 L N 2.638 123.972 121.223 0.185 0.000 2.344 184 L HA 0.774 5.122 4.340 0.014 0.000 0.272 184 L C -0.227 176.704 176.870 0.103 0.000 1.035 184 L CA -0.853 54.087 54.840 0.167 0.000 0.807 184 L CB 1.947 44.117 42.059 0.185 0.000 1.237 184 L HN 0.698 nan 8.230 nan 0.000 0.442 185 A N 2.212 125.107 122.820 0.126 0.000 2.381 185 A HA 0.787 5.115 4.320 0.014 0.000 0.299 185 A C -1.176 176.693 177.584 0.476 0.000 1.049 185 A CA -0.474 51.584 52.037 0.036 0.000 0.715 185 A CB 1.667 20.175 19.000 -0.820 0.000 1.222 185 A HN 0.364 nan 8.150 nan 0.000 0.428 186 V N 2.986 123.318 119.914 0.697 0.000 2.409 186 V HA 0.452 4.580 4.120 0.014 0.000 0.290 186 V C -0.124 176.455 176.094 0.807 0.000 1.017 186 V CA -0.272 62.412 62.300 0.640 0.000 0.841 186 V CB 1.428 33.399 31.823 0.247 0.000 1.003 186 V HN 0.969 nan 8.190 nan 0.000 0.426 187 M N 5.938 126.064 119.600 0.877 0.000 2.063 187 M HA 0.536 5.024 4.480 0.014 0.000 0.348 187 M C -1.299 175.261 176.300 0.433 0.000 1.180 187 M CA -0.292 55.358 55.300 0.584 0.000 1.059 187 M CB 0.954 33.966 32.600 0.687 0.000 1.544 187 M HN 0.491 nan 8.290 nan 0.000 0.447 188 V N 6.874 127.003 119.914 0.358 0.000 2.394 188 V HA 0.371 4.499 4.120 0.014 0.000 0.282 188 V C -0.034 176.225 176.094 0.275 0.000 1.031 188 V CA -0.663 61.851 62.300 0.356 0.000 0.881 188 V CB 1.400 33.510 31.823 0.478 0.000 0.982 188 V HN 0.789 nan 8.190 nan 0.000 0.451 189 L N 5.227 126.539 121.223 0.149 0.000 2.275 189 L HA 0.490 4.838 4.340 0.014 0.000 0.288 189 L C 1.644 178.519 176.870 0.009 0.000 1.046 189 L CA -0.363 54.482 54.840 0.009 0.000 0.805 189 L CB 1.207 43.166 42.059 -0.167 0.000 1.193 189 L HN 0.695 nan 8.230 nan 0.000 0.426 190 R N 3.345 123.807 120.500 -0.064 0.000 2.083 190 R HA -0.102 4.246 4.340 0.014 0.000 0.237 190 R C -0.369 175.567 176.300 -0.607 0.000 1.137 190 R CA 1.522 57.349 56.100 -0.455 0.000 0.951 190 R CB 0.179 30.108 30.300 -0.619 0.000 0.851 190 R HN 0.560 nan 8.270 nan 0.000 0.434 191 W N 0.044 121.404 121.300 0.099 0.000 2.689 191 W HA 0.412 5.079 4.660 0.013 0.000 0.340 191 W C -0.365 176.258 176.519 0.174 0.000 1.060 191 W CA -0.853 56.557 57.345 0.109 0.000 1.218 191 W CB 1.815 31.346 29.460 0.117 0.000 1.410 191 W HN 0.058 nan 8.180 nan 0.000 0.528 192 S N -1.096 114.888 115.700 0.473 0.000 2.643 192 S HA 0.163 4.641 4.470 0.014 0.000 0.270 192 S C 0.345 175.197 174.600 0.419 0.000 1.166 192 S CA -0.621 57.860 58.200 0.469 0.000 0.815 192 S CB 1.285 64.728 63.200 0.404 0.000 1.139 192 S HN 0.677 nan 8.310 nan 0.000 0.472 193 D N 0.308 120.964 120.400 0.427 0.000 2.309 193 D HA -0.050 4.598 4.640 0.014 0.000 0.212 193 D C 1.649 178.266 176.300 0.527 0.000 0.968 193 D CA 1.261 55.573 54.000 0.520 0.000 0.882 193 D CB -0.816 40.159 40.800 0.292 0.000 0.918 193 D HN 0.729 nan 8.370 nan 0.000 0.503 194 G N 0.787 109.808 108.800 0.370 0.000 2.443 194 G HA2 -0.208 3.760 3.960 0.014 0.000 0.219 194 G HA3 -0.208 3.760 3.960 0.014 0.000 0.219 194 G C 1.773 176.847 174.900 0.289 0.000 1.131 194 G CA 0.525 45.810 45.100 0.308 0.000 0.775 194 G HN 0.272 nan 8.290 nan 0.000 0.547 195 S N -0.036 115.824 115.700 0.268 0.000 2.419 195 S HA -0.086 4.392 4.470 0.014 0.000 0.233 195 S C 1.906 176.585 174.600 0.131 0.000 1.016 195 S CA 0.620 58.943 58.200 0.205 0.000 0.974 195 S CB -0.406 62.938 63.200 0.240 0.000 0.786 195 S HN 0.534 nan 8.310 nan 0.000 0.492 196 Y N 1.333 121.755 120.300 0.203 0.000 2.315 196 Y HA -0.004 4.554 4.550 0.013 0.000 0.288 196 Y C 1.606 177.590 175.900 0.140 0.000 1.154 196 Y CA 0.767 58.900 58.100 0.056 0.000 1.229 196 Y CB -0.228 38.124 38.460 -0.181 0.000 0.980 196 Y HN 0.205 nan 8.280 nan 0.000 0.540 197 L N -0.391 120.995 121.223 0.272 0.000 2.700 197 L HA 0.145 4.493 4.340 0.014 0.000 0.234 197 L C -0.006 176.987 176.870 0.205 0.000 1.156 197 L CA 0.334 55.300 54.840 0.209 0.000 0.946 197 L CB 0.106 42.296 42.059 0.218 0.000 1.216 197 L HN 0.122 nan 8.230 nan 0.000 0.493 198 E N 0.008 120.340 120.200 0.220 0.000 3.846 198 E HA 0.040 4.398 4.350 0.014 0.000 0.216 198 E C -0.459 176.236 176.600 0.158 0.000 1.092 198 E CA -0.072 56.445 56.400 0.195 0.000 1.370 198 E CB 0.527 30.337 29.700 0.184 0.000 1.227 198 E HN 0.032 nan 8.360 nan 0.000 0.442 199 D N 1.109 121.559 120.400 0.083 0.000 2.538 199 D HA 0.014 4.662 4.640 0.014 0.000 0.234 199 D C -0.196 176.065 176.300 -0.064 0.000 1.191 199 D CA -0.024 53.909 54.000 -0.111 0.000 0.828 199 D CB 0.150 40.614 40.800 -0.560 0.000 0.981 199 D HN 0.092 nan 8.370 nan 0.000 0.490 200 Q N 0.523 120.387 119.800 0.107 0.000 2.361 200 Q HA 0.097 4.445 4.340 0.014 0.000 0.276 200 Q C -0.100 175.996 176.000 0.160 0.000 1.022 200 Q CA 0.116 56.051 55.803 0.220 0.000 0.898 200 Q CB 0.606 29.638 28.738 0.490 0.000 1.246 200 Q HN 0.065 nan 8.270 nan 0.000 0.410 201 D N 3.560 124.068 120.400 0.180 0.000 2.441 201 D HA 0.170 4.818 4.640 0.014 0.000 0.243 201 D C -0.758 175.676 176.300 0.224 0.000 1.257 201 D CA 0.124 54.214 54.000 0.151 0.000 1.027 201 D CB -0.361 40.508 40.800 0.114 0.000 1.084 201 D HN 0.508 nan 8.370 nan 0.000 0.514 202 M N 0.483 120.189 119.600 0.177 0.000 3.012 202 M HA 0.359 4.847 4.480 0.014 0.000 0.272 202 M C -1.287 175.105 176.300 0.154 0.000 1.187 202 M CA -1.174 54.157 55.300 0.051 0.000 0.813 202 M CB 0.950 33.479 32.600 -0.118 0.000 1.626 202 M HN -0.071 nan 8.290 nan 0.000 0.507 203 W N 2.072 123.453 121.300 0.136 0.000 2.257 203 W HA 0.272 4.940 4.660 0.014 0.000 0.337 203 W C 0.307 176.848 176.519 0.038 0.000 1.321 203 W CA 0.047 57.469 57.345 0.129 0.000 1.267 203 W CB 0.327 29.799 29.460 0.018 0.000 1.187 203 W HN 0.288 nan 8.180 nan 0.000 0.565 204 R N 4.834 125.514 120.500 0.300 0.000 2.196 204 R HA 0.421 4.769 4.340 0.014 0.000 0.340 204 R C -0.166 176.143 176.300 0.015 0.000 1.043 204 R CA -0.229 55.963 56.100 0.154 0.000 0.883 204 R CB 0.143 30.598 30.300 0.258 0.000 1.078 204 R HN 0.556 nan 8.270 nan 0.000 0.462 205 M N 0.240 119.735 119.600 -0.174 0.000 2.777 205 M HA 0.543 5.031 4.480 0.014 0.000 0.288 205 M C 0.013 175.968 176.300 -0.576 0.000 1.181 205 M CA -0.896 54.184 55.300 -0.367 0.000 0.758 205 M CB 2.248 34.626 32.600 -0.371 0.000 1.757 205 M HN 0.632 nan 8.290 nan 0.000 0.453 206 S N -1.140 114.092 115.700 -0.779 0.000 2.611 206 S HA 0.961 5.440 4.470 0.014 0.000 0.268 206 S C -0.615 173.454 174.600 -0.885 0.000 1.156 206 S CA -0.121 57.519 58.200 -0.934 0.000 0.817 206 S CB 1.769 64.259 63.200 -1.184 0.000 1.122 206 S HN 1.587 nan 8.310 nan 0.000 0.466 207 G N 0.031 108.549 108.800 -0.471 0.000 2.353 207 G HA2 0.153 4.121 3.960 0.014 0.000 0.615 207 G HA3 0.153 4.121 3.960 0.014 0.000 0.615 207 G C -1.325 173.576 174.900 0.002 0.000 1.280 207 G CA -0.591 44.559 45.100 0.084 0.000 1.000 207 G HN 1.194 nan 8.290 nan 0.000 0.516 208 I N 2.077 122.503 120.570 -0.240 0.000 2.241 208 I HA 0.261 4.439 4.170 0.014 0.000 0.294 208 I C 1.251 177.236 176.117 -0.219 0.000 1.145 208 I CA -0.190 60.851 61.300 -0.431 0.000 1.261 208 I CB -0.184 37.285 38.000 -0.884 0.000 1.475 208 I HN 0.523 nan 8.210 nan 0.000 0.533 209 F N 4.658 124.457 119.950 -0.252 0.000 2.749 209 F HA 0.420 4.955 4.527 0.013 0.000 0.300 209 F C 0.726 176.449 175.800 -0.130 0.000 1.103 209 F CA -0.430 57.457 58.000 -0.190 0.000 1.342 209 F CB 0.128 39.017 39.000 -0.184 0.000 1.098 209 F HN 0.131 nan 8.300 nan 0.000 0.586 210 R N 0.582 120.659 120.500 -0.705 0.000 2.930 210 R HA 0.221 4.569 4.340 0.014 0.000 0.257 210 R C -0.696 175.408 176.300 -0.327 0.000 1.107 210 R CA -1.178 54.633 56.100 -0.482 0.000 0.999 210 R CB 0.702 30.654 30.300 -0.579 0.000 1.209 210 R HN -0.026 nan 8.270 nan 0.000 0.486 211 D N 0.809 121.069 120.400 -0.234 0.000 2.563 211 D HA 0.016 4.664 4.640 0.014 0.000 0.229 211 D C -0.469 175.690 176.300 -0.236 0.000 1.159 211 D CA 0.688 54.574 54.000 -0.189 0.000 0.869 211 D CB 0.483 41.200 40.800 -0.139 0.000 1.203 211 D HN -0.013 nan 8.370 nan 0.000 0.478 212 V N 1.169 120.952 119.914 -0.217 0.000 2.540 212 V HA 0.572 4.700 4.120 0.014 0.000 0.302 212 V C 0.041 176.002 176.094 -0.223 0.000 1.035 212 V CA -0.539 61.567 62.300 -0.324 0.000 0.873 212 V CB 1.793 33.409 31.823 -0.345 0.000 0.992 212 V HN 0.782 nan 8.190 nan 0.000 0.428 213 S N 4.357 119.896 115.700 -0.267 0.000 2.638 213 S HA 0.866 5.344 4.470 0.014 0.000 0.274 213 S C -1.503 173.026 174.600 -0.119 0.000 1.157 213 S CA -0.855 57.260 58.200 -0.142 0.000 0.826 213 S CB 2.113 65.272 63.200 -0.068 0.000 1.139 213 S HN 0.416 nan 8.310 nan 0.000 0.474 214 L N 1.329 122.546 121.223 -0.009 0.000 2.356 214 L HA 0.758 5.106 4.340 0.014 0.000 0.277 214 L C -1.464 175.565 176.870 0.265 0.000 0.996 214 L CA -0.649 54.261 54.840 0.116 0.000 0.822 214 L CB 1.513 43.629 42.059 0.095 0.000 1.256 214 L HN 0.806 nan 8.230 nan 0.000 0.413 215 L N 4.381 125.747 121.223 0.238 0.000 2.362 215 L HA 0.487 4.835 4.340 0.014 0.000 0.275 215 L C -1.051 175.864 176.870 0.076 0.000 0.998 215 L CA -0.220 54.716 54.840 0.160 0.000 0.820 215 L CB 1.313 43.424 42.059 0.087 0.000 1.270 215 L HN 0.588 nan 8.230 nan 0.000 0.415 216 H N 5.430 124.342 119.070 -0.262 0.000 2.519 216 H HA 0.465 5.029 4.556 0.014 0.000 0.316 216 H C -1.224 173.917 175.328 -0.312 0.000 1.065 216 H CA -0.522 55.242 56.048 -0.474 0.000 1.264 216 H CB 1.059 30.020 29.762 -1.334 0.000 1.413 216 H HN 0.524 nan 8.280 nan 0.000 0.465 217 K N 5.655 125.703 120.400 -0.587 0.000 2.267 217 K HA 0.383 4.711 4.320 0.014 0.000 0.246 217 K C -2.697 173.662 176.600 -0.403 0.000 0.954 217 K CA -2.049 54.023 56.287 -0.359 0.000 0.824 217 K CB 2.041 34.406 32.500 -0.225 0.000 1.167 217 K HN 0.478 nan 8.250 nan 0.000 0.431 218 P HA 0.148 nan 4.420 nan 0.000 0.274 218 P C 0.442 177.674 177.300 -0.113 0.000 1.246 218 P CA -0.170 62.866 63.100 -0.106 0.000 0.795 218 P CB 0.440 32.115 31.700 -0.043 0.000 1.006 219 T N -1.310 113.201 114.554 -0.071 0.000 2.867 219 T HA -0.038 4.320 4.350 0.014 0.000 0.268 219 T C 0.626 175.289 174.700 -0.061 0.000 1.057 219 T CA 1.539 63.602 62.100 -0.061 0.000 1.136 219 T CB -0.546 68.304 68.868 -0.031 0.000 0.874 219 T HN 0.411 nan 8.240 nan 0.000 0.466 220 T N 3.636 118.159 114.554 -0.052 0.000 2.733 220 T HA 0.484 4.842 4.350 0.014 0.000 0.294 220 T C -0.235 174.420 174.700 -0.075 0.000 0.956 220 T CA -0.680 61.379 62.100 -0.069 0.000 0.987 220 T CB 0.754 69.597 68.868 -0.042 0.000 0.920 220 T HN 0.483 nan 8.240 nan 0.000 0.470 221 Q N 2.276 122.018 119.800 -0.097 0.000 2.648 221 Q HA 0.589 4.937 4.340 0.014 0.000 0.300 221 Q C -1.293 174.648 176.000 -0.098 0.000 0.954 221 Q CA -1.178 54.563 55.803 -0.103 0.000 0.757 221 Q CB 1.234 29.896 28.738 -0.126 0.000 1.482 221 Q HN 0.447 nan 8.270 nan 0.000 0.437 222 I N 2.524 123.018 120.570 -0.127 0.000 2.379 222 I HA 0.035 4.213 4.170 0.014 0.000 0.290 222 I C 0.789 176.852 176.117 -0.090 0.000 1.063 222 I CA 0.034 61.283 61.300 -0.085 0.000 1.351 222 I CB 1.091 39.003 38.000 -0.146 0.000 1.410 222 I HN 0.859 nan 8.210 nan 0.000 0.505 223 S N 2.690 118.427 115.700 0.061 0.000 2.517 223 S HA 0.186 4.664 4.470 0.014 0.000 0.214 223 S C 0.170 174.968 174.600 0.331 0.000 0.991 223 S CA -0.219 58.075 58.200 0.157 0.000 0.906 223 S CB 0.182 63.424 63.200 0.070 0.000 0.789 223 S HN 0.717 nan 8.310 nan 0.000 0.513 224 D N -0.364 120.232 120.400 0.326 0.000 2.728 224 D HA 0.503 5.152 4.640 0.014 0.000 0.249 224 D C -1.881 174.567 176.300 0.247 0.000 1.225 224 D CA -0.732 53.438 54.000 0.283 0.000 0.748 224 D CB 1.338 42.199 40.800 0.101 0.000 1.326 224 D HN 0.197 nan 8.370 nan 0.000 0.426 225 F N -0.522 119.485 119.950 0.094 0.000 2.650 225 F HA 0.606 5.141 4.527 0.013 0.000 0.310 225 F C -1.613 174.254 175.800 0.111 0.000 1.112 225 F CA -0.754 57.231 58.000 -0.025 0.000 0.986 225 F CB 1.172 40.206 39.000 0.057 0.000 1.285 225 F HN 0.277 nan 8.300 nan 0.000 0.440 226 H N 1.923 121.068 119.070 0.125 0.000 2.529 226 H HA 0.753 5.317 4.556 0.014 0.000 0.348 226 H C -1.260 174.122 175.328 0.090 0.000 1.079 226 H CA -1.510 54.549 56.048 0.019 0.000 1.198 226 H CB 2.644 32.395 29.762 -0.018 0.000 1.521 226 H HN 0.614 nan 8.280 nan 0.000 0.514 227 V N 2.209 122.236 119.914 0.188 0.000 2.513 227 V HA 0.679 4.807 4.120 0.014 0.000 0.299 227 V C -0.188 175.907 176.094 0.003 0.000 1.035 227 V CA -0.518 61.839 62.300 0.095 0.000 0.889 227 V CB 1.364 33.236 31.823 0.081 0.000 0.988 227 V HN 0.933 nan 8.190 nan 0.000 0.440 228 A N 3.093 125.889 122.820 -0.041 0.000 2.454 228 A HA 0.950 5.278 4.320 0.014 0.000 0.302 228 A C -0.229 177.255 177.584 -0.168 0.000 1.079 228 A CA -0.485 51.507 52.037 -0.075 0.000 0.731 228 A CB 2.106 21.086 19.000 -0.033 0.000 1.299 228 A HN 0.933 nan 8.150 nan 0.000 0.413 229 T N -0.568 113.866 114.554 -0.199 0.000 2.890 229 T HA 0.681 5.039 4.350 0.014 0.000 0.295 229 T C -0.432 174.074 174.700 -0.322 0.000 0.993 229 T CA -0.785 61.101 62.100 -0.357 0.000 0.979 229 T CB 0.878 69.406 68.868 -0.566 0.000 0.967 229 T HN 1.029 nan 8.240 nan 0.000 0.441 230 R N 1.983 122.237 120.500 -0.409 0.000 2.832 230 R HA 0.875 5.223 4.340 0.014 0.000 0.271 230 R C -1.577 174.404 176.300 -0.532 0.000 0.996 230 R CA -0.923 55.024 56.100 -0.255 0.000 0.977 230 R CB 1.249 31.505 30.300 -0.073 0.000 1.168 230 R HN 0.468 nan 8.270 nan 0.000 0.482 231 F N -0.042 119.917 119.950 0.015 0.000 2.640 231 F HA 0.361 4.895 4.527 0.012 0.000 0.324 231 F C 0.137 175.831 175.800 -0.177 0.000 1.077 231 F CA -1.031 56.934 58.000 -0.058 0.000 0.965 231 F CB 1.346 40.269 39.000 -0.129 0.000 1.351 231 F HN 0.718 nan 8.300 nan 0.000 0.487 232 N N -0.030 118.675 118.700 0.008 0.000 2.418 232 N HA 0.070 4.818 4.740 0.014 0.000 0.283 232 N C 0.430 175.789 175.510 -0.251 0.000 1.267 232 N CA -0.066 52.933 53.050 -0.085 0.000 0.975 232 N CB -0.061 38.401 38.487 -0.042 0.000 1.167 232 N HN 0.654 nan 8.380 nan 0.000 0.581 233 D N -1.334 118.961 120.400 -0.175 0.000 2.149 233 D HA -0.225 4.423 4.640 0.014 0.000 0.198 233 D C 0.207 176.357 176.300 -0.251 0.000 0.990 233 D CA 1.550 55.433 54.000 -0.196 0.000 0.839 233 D CB -0.568 40.189 40.800 -0.071 0.000 0.948 233 D HN 0.732 nan 8.370 nan 0.000 0.460 234 D N -1.615 118.696 120.400 -0.148 0.000 2.538 234 D HA 0.054 4.702 4.640 0.014 0.000 0.231 234 D C -0.027 176.392 176.300 0.198 0.000 1.229 234 D CA -1.076 52.948 54.000 0.040 0.000 0.828 234 D CB -1.126 39.739 40.800 0.107 0.000 1.035 234 D HN 0.181 nan 8.370 nan 0.000 0.495 235 F N 0.373 120.378 119.950 0.091 0.000 3.034 235 F HA -0.284 4.251 4.527 0.013 0.000 0.286 235 F C 1.500 177.386 175.800 0.143 0.000 0.804 235 F CA 0.833 58.904 58.000 0.117 0.000 1.161 235 F CB -2.523 36.437 39.000 -0.067 0.000 1.317 235 F HN 0.226 nan 8.300 nan 0.000 0.453 236 S N -1.222 114.594 115.700 0.192 0.000 2.575 236 S HA 0.358 4.836 4.470 0.014 0.000 0.215 236 S C 0.568 175.234 174.600 0.110 0.000 0.966 236 S CA -0.144 58.141 58.200 0.143 0.000 0.911 236 S CB 0.431 63.688 63.200 0.094 0.000 0.780 236 S HN 0.457 nan 8.310 nan 0.000 0.514 237 R N -0.099 120.479 120.500 0.131 0.000 2.668 237 R HA 0.796 5.145 4.340 0.014 0.000 0.272 237 R C -1.462 174.885 176.300 0.079 0.000 1.019 237 R CA -0.389 55.751 56.100 0.067 0.000 0.894 237 R CB 2.242 32.554 30.300 0.020 0.000 1.228 237 R HN 0.237 nan 8.270 nan 0.000 0.460 238 A N 1.334 124.133 122.820 -0.035 0.000 2.587 238 A HA 0.713 5.042 4.320 0.014 0.000 0.293 238 A C -1.480 176.036 177.584 -0.114 0.000 1.087 238 A CA -0.628 51.312 52.037 -0.161 0.000 0.692 238 A CB 2.065 20.936 19.000 -0.216 0.000 1.291 238 A HN 0.306 nan 8.150 nan 0.000 0.407 239 V N 1.553 121.377 119.914 -0.149 0.000 2.444 239 V HA 0.470 4.598 4.120 0.014 0.000 0.294 239 V C -0.431 175.603 176.094 -0.099 0.000 1.022 239 V CA -0.359 61.886 62.300 -0.092 0.000 0.850 239 V CB 1.363 33.133 31.823 -0.089 0.000 0.992 239 V HN 0.811 nan 8.190 nan 0.000 0.426 240 L N 4.942 126.141 121.223 -0.039 0.000 2.275 240 L HA 0.602 4.950 4.340 0.014 0.000 0.288 240 L C -0.121 176.708 176.870 -0.069 0.000 1.046 240 L CA -0.013 54.778 54.840 -0.081 0.000 0.805 240 L CB 0.987 43.035 42.059 -0.019 0.000 1.193 240 L HN 0.675 nan 8.230 nan 0.000 0.426 241 E N 4.815 124.969 120.200 -0.076 0.000 2.165 241 E HA 0.603 4.961 4.350 0.014 0.000 0.266 241 E C -1.069 175.520 176.600 -0.018 0.000 0.889 241 E CA -0.754 55.620 56.400 -0.044 0.000 0.756 241 E CB 2.012 31.689 29.700 -0.039 0.000 1.131 241 E HN 0.683 nan 8.360 nan 0.000 0.411 242 A N 3.599 126.414 122.820 -0.008 0.000 2.311 242 A HA 0.301 4.629 4.320 0.014 0.000 0.306 242 A C -0.583 177.006 177.584 0.009 0.000 1.189 242 A CA -0.649 51.406 52.037 0.030 0.000 0.791 242 A CB 0.918 19.931 19.000 0.022 0.000 1.172 242 A HN 0.676 nan 8.150 nan 0.000 0.481 243 E N 2.631 122.842 120.200 0.018 0.000 2.174 243 E HA 0.556 4.914 4.350 0.014 0.000 0.282 243 E C -1.406 175.157 176.600 -0.062 0.000 0.992 243 E CA -0.382 55.987 56.400 -0.051 0.000 0.803 243 E CB 1.223 30.870 29.700 -0.087 0.000 1.090 243 E HN 0.371 nan 8.360 nan 0.000 0.396 244 V N 4.816 124.706 119.914 -0.040 0.000 2.540 244 V HA 0.289 4.417 4.120 0.014 0.000 0.302 244 V C -0.506 175.651 176.094 0.106 0.000 1.035 244 V CA -0.808 61.518 62.300 0.043 0.000 0.873 244 V CB 1.698 33.535 31.823 0.022 0.000 0.992 244 V HN 0.734 nan 8.190 nan 0.000 0.428 245 Q N 4.606 124.474 119.800 0.114 0.000 2.342 245 Q HA 0.795 5.143 4.340 0.014 0.000 0.267 245 Q C -0.649 175.419 176.000 0.113 0.000 1.038 245 Q CA -0.708 55.163 55.803 0.114 0.000 0.832 245 Q CB 2.955 31.694 28.738 0.001 0.000 1.323 245 Q HN 0.869 nan 8.270 nan 0.000 0.448 246 M N -0.393 119.200 119.600 -0.013 0.000 2.664 246 M HA 0.770 5.258 4.480 0.014 0.000 0.314 246 M C -1.490 174.712 176.300 -0.162 0.000 1.200 246 M CA -0.354 54.841 55.300 -0.176 0.000 0.916 246 M CB 2.105 34.329 32.600 -0.627 0.000 1.717 246 M HN 0.618 nan 8.290 nan 0.000 0.470 247 C N 1.413 120.630 119.300 -0.139 0.000 2.707 247 C HA 1.021 5.489 4.460 0.014 0.000 0.313 247 C C 0.452 175.364 174.990 -0.129 0.000 1.209 247 C CA 0.555 59.510 59.018 -0.106 0.000 1.635 247 C CB 1.085 28.790 27.740 -0.058 0.000 2.206 247 C HN 1.309 nan 8.230 nan 0.000 0.485 248 G N 1.940 110.676 108.800 -0.107 0.000 2.434 248 G HA2 0.059 4.027 3.960 0.014 0.000 0.671 248 G HA3 0.059 4.027 3.960 0.014 0.000 0.671 248 G C -1.254 173.577 174.900 -0.115 0.000 1.280 248 G CA -0.790 44.252 45.100 -0.097 0.000 0.975 248 G HN 0.654 nan 8.290 nan 0.000 0.510 249 E N 0.114 120.258 120.200 -0.094 0.000 2.376 249 E HA 0.317 4.675 4.350 0.014 0.000 0.266 249 E C 0.861 177.365 176.600 -0.159 0.000 1.009 249 E CA -0.108 56.233 56.400 -0.098 0.000 0.902 249 E CB 0.762 30.429 29.700 -0.056 0.000 0.972 249 E HN 0.461 nan 8.360 nan 0.000 0.439 250 L N 4.381 125.505 121.223 -0.165 0.000 2.380 250 L HA 0.201 4.549 4.340 0.014 0.000 0.273 250 L C 0.620 177.356 176.870 -0.224 0.000 1.138 250 L CA 0.097 54.809 54.840 -0.213 0.000 0.832 250 L CB 0.367 42.333 42.059 -0.155 0.000 1.124 250 L HN 0.166 nan 8.230 nan 0.000 0.454 251 R N 1.695 121.997 120.500 -0.330 0.000 2.584 251 R HA 0.168 4.516 4.340 0.014 0.000 0.276 251 R C -0.223 175.796 176.300 -0.469 0.000 1.046 251 R CA -0.786 55.017 56.100 -0.496 0.000 0.906 251 R CB 1.556 31.183 30.300 -1.121 0.000 1.215 251 R HN 0.506 nan 8.270 nan 0.000 0.449 252 D N 1.019 121.243 120.400 -0.293 0.000 2.221 252 D HA -0.165 4.483 4.640 0.014 0.000 0.204 252 D C 1.539 177.773 176.300 -0.111 0.000 0.982 252 D CA 1.640 55.558 54.000 -0.137 0.000 0.857 252 D CB 0.099 40.879 40.800 -0.034 0.000 0.934 252 D HN 0.599 nan 8.370 nan 0.000 0.475 253 Y N -0.411 119.907 120.300 0.029 0.000 2.583 253 Y HA 0.242 4.801 4.550 0.014 0.000 0.293 253 Y C 0.706 176.623 175.900 0.029 0.000 1.157 253 Y CA -0.366 57.751 58.100 0.029 0.000 1.315 253 Y CB -0.870 37.606 38.460 0.026 0.000 1.021 253 Y HN -0.183 nan 8.280 nan 0.000 0.536 254 L N 2.844 123.981 121.223 -0.144 0.000 2.426 254 L HA 0.280 4.628 4.340 0.014 0.000 0.271 254 L C 0.185 177.080 176.870 0.041 0.000 1.169 254 L CA -0.013 54.855 54.840 0.047 0.000 0.836 254 L CB 0.478 42.543 42.059 0.010 0.000 1.112 254 L HN 0.198 nan 8.230 nan 0.000 0.465 255 R N 2.111 122.538 120.500 -0.121 0.000 2.799 255 R HA 0.714 5.063 4.340 0.014 0.000 0.270 255 R C -1.466 174.520 176.300 -0.523 0.000 1.010 255 R CA -0.819 55.061 56.100 -0.367 0.000 0.916 255 R CB 2.198 32.197 30.300 -0.501 0.000 1.228 255 R HN 0.269 nan 8.270 nan 0.000 0.469 256 V N 0.663 120.306 119.914 -0.453 0.000 2.709 256 V HA 0.516 4.644 4.120 0.014 0.000 0.308 256 V C -0.496 175.539 176.094 -0.098 0.000 1.062 256 V CA -0.557 61.566 62.300 -0.295 0.000 0.901 256 V CB 2.419 34.027 31.823 -0.358 0.000 1.003 256 V HN 0.733 nan 8.190 nan 0.000 0.425 257 T N 3.720 118.321 114.554 0.078 0.000 2.840 257 T HA 0.564 4.922 4.350 0.014 0.000 0.287 257 T C -0.741 173.980 174.700 0.035 0.000 0.991 257 T CA -0.329 61.840 62.100 0.115 0.000 0.964 257 T CB 1.569 70.561 68.868 0.207 0.000 0.954 257 T HN 0.337 nan 8.240 nan 0.000 0.438 258 V N 4.168 124.078 119.914 -0.007 0.000 2.384 258 V HA 0.661 4.790 4.120 0.014 0.000 0.287 258 V C 0.112 176.206 176.094 -0.000 0.000 1.020 258 V CA -0.723 61.567 62.300 -0.016 0.000 0.850 258 V CB 1.540 33.339 31.823 -0.041 0.000 0.987 258 V HN 1.022 nan 8.190 nan 0.000 0.436 259 S N 5.485 121.213 115.700 0.046 0.000 2.536 259 S HA 0.853 5.332 4.470 0.014 0.000 0.298 259 S C -1.089 173.543 174.600 0.054 0.000 1.083 259 S CA -0.767 57.440 58.200 0.013 0.000 0.995 259 S CB 2.115 65.338 63.200 0.038 0.000 1.058 259 S HN 0.507 nan 8.310 nan 0.000 0.488 260 L N 2.482 123.637 121.223 -0.114 0.000 2.341 260 L HA 0.795 5.143 4.340 0.014 0.000 0.278 260 L C -1.921 174.875 176.870 -0.124 0.000 1.005 260 L CA -0.325 54.531 54.840 0.028 0.000 0.818 260 L CB 0.925 43.008 42.059 0.040 0.000 1.259 260 L HN 0.892 nan 8.230 nan 0.000 0.418 261 W N 3.437 124.841 121.300 0.174 0.000 2.736 261 W HA 0.564 5.232 4.660 0.013 0.000 0.335 261 W C -0.364 176.249 176.519 0.158 0.000 1.059 261 W CA -0.579 56.849 57.345 0.137 0.000 1.226 261 W CB 1.266 30.754 29.460 0.048 0.000 1.416 261 W HN 0.266 nan 8.180 nan 0.000 0.505 262 Q N 2.257 122.223 119.800 0.276 0.000 2.636 262 Q HA 0.420 4.768 4.340 0.014 0.000 0.233 262 Q C 0.692 176.740 176.000 0.080 0.000 1.143 262 Q CA 0.440 56.250 55.803 0.011 0.000 0.969 262 Q CB 0.641 29.353 28.738 -0.043 0.000 1.185 262 Q HN 0.783 nan 8.270 nan 0.000 0.546 263 G N 2.834 111.686 108.800 0.086 0.000 2.531 263 G HA2 -0.342 3.626 3.960 0.014 0.000 0.274 263 G HA3 -0.342 3.626 3.960 0.014 0.000 0.274 263 G C 0.587 175.578 174.900 0.152 0.000 1.159 263 G CA 0.251 45.393 45.100 0.070 0.000 0.969 263 G HN 0.564 nan 8.290 nan 0.000 0.554 264 E N 0.770 121.048 120.200 0.130 0.000 2.489 264 E HA 0.173 4.531 4.350 0.014 0.000 0.193 264 E C 0.382 177.209 176.600 0.378 0.000 1.057 264 E CA 0.594 57.106 56.400 0.187 0.000 0.866 264 E CB 0.085 29.831 29.700 0.076 0.000 0.916 264 E HN 0.351 nan 8.360 nan 0.000 0.500 265 T N 1.070 115.805 114.554 0.302 0.000 2.767 265 T HA 0.118 4.476 4.350 0.014 0.000 0.288 265 T C -0.265 174.457 174.700 0.036 0.000 0.963 265 T CA -0.385 61.816 62.100 0.168 0.000 1.019 265 T CB 1.585 70.493 68.868 0.065 0.000 0.923 265 T HN 0.043 nan 8.240 nan 0.000 0.468 266 Q N 2.668 122.199 119.800 -0.449 0.000 2.288 266 Q HA 0.282 4.630 4.340 0.014 0.000 0.258 266 Q C 0.789 176.524 176.000 -0.442 0.000 0.957 266 Q CA -0.466 54.717 55.803 -1.033 0.000 0.919 266 Q CB 0.715 28.560 28.738 -1.489 0.000 1.185 266 Q HN 0.668 nan 8.270 nan 0.000 0.408 267 V N 0.713 120.452 119.914 -0.293 0.000 3.565 267 V HA 0.584 4.712 4.120 0.014 0.000 0.260 267 V C 0.318 176.320 176.094 -0.153 0.000 1.231 267 V CA 0.503 62.723 62.300 -0.133 0.000 1.100 267 V CB -0.081 31.752 31.823 0.017 0.000 0.807 267 V HN 0.654 nan 8.190 nan 0.000 0.454 268 A N -0.776 121.922 122.820 -0.203 0.000 2.608 268 A HA 0.820 5.148 4.320 0.014 0.000 0.292 268 A C -0.763 176.719 177.584 -0.171 0.000 1.066 268 A CA 0.220 52.164 52.037 -0.154 0.000 0.676 268 A CB 1.690 20.627 19.000 -0.104 0.000 1.277 268 A HN 0.428 nan 8.150 nan 0.000 0.413 269 S N -0.864 114.761 115.700 -0.125 0.000 2.537 269 S HA 0.804 5.282 4.470 0.014 0.000 0.271 269 S C -0.558 174.002 174.600 -0.066 0.000 1.148 269 S CA 0.196 58.335 58.200 -0.102 0.000 0.868 269 S CB 1.726 64.853 63.200 -0.121 0.000 1.115 269 S HN 2.252 nan 8.310 nan 0.000 0.461 270 G N 1.561 110.333 108.800 -0.047 0.000 2.682 270 G HA2 0.645 4.613 3.960 0.014 0.000 0.300 270 G HA3 0.645 4.613 3.960 0.014 0.000 0.300 270 G C -1.368 173.517 174.900 -0.025 0.000 1.391 270 G CA -0.415 44.660 45.100 -0.040 0.000 0.990 270 G HN 0.687 nan 8.290 nan 0.000 0.501 271 T N -0.043 114.498 114.554 -0.021 0.000 2.893 271 T HA 0.850 5.209 4.350 0.014 0.000 0.293 271 T C -0.289 174.381 174.700 -0.049 0.000 1.027 271 T CA -0.066 62.032 62.100 -0.004 0.000 0.988 271 T CB 1.817 70.719 68.868 0.056 0.000 1.043 271 T HN 1.523 nan 8.240 nan 0.000 0.461 272 A N 3.517 126.274 122.820 -0.105 0.000 2.608 272 A HA 0.898 5.227 4.320 0.014 0.000 0.292 272 A C -3.166 174.289 177.584 -0.215 0.000 1.066 272 A CA -1.530 50.428 52.037 -0.132 0.000 0.676 272 A CB 1.251 20.168 19.000 -0.138 0.000 1.277 272 A HN 0.528 nan 8.150 nan 0.000 0.413 273 P HA 0.566 nan 4.420 nan 0.000 0.282 273 P C -0.618 176.554 177.300 -0.213 0.000 1.259 273 P CA -0.314 62.701 63.100 -0.141 0.000 0.826 273 P CB 0.365 32.041 31.700 -0.041 0.000 1.064 274 F N 0.362 120.267 119.950 -0.074 0.000 2.545 274 F HA 0.427 4.962 4.527 0.013 0.000 0.348 274 F C 1.565 177.343 175.800 -0.037 0.000 1.163 274 F CA 1.754 59.720 58.000 -0.057 0.000 1.331 274 F CB 0.022 38.982 39.000 -0.068 0.000 1.138 274 F HN 0.588 nan 8.300 nan 0.000 0.602 275 G N 1.628 110.530 108.800 0.170 0.000 2.648 275 G HA2 0.350 4.318 3.960 0.014 0.000 0.317 275 G HA3 0.350 4.318 3.960 0.014 0.000 0.317 275 G C -0.417 174.524 174.900 0.068 0.000 1.216 275 G CA -0.754 44.410 45.100 0.106 0.000 1.210 275 G HN 1.038 nan 8.290 nan 0.000 0.583 276 G N 1.072 109.935 108.800 0.104 0.000 2.599 276 G HA2 0.625 4.593 3.960 0.014 0.000 0.264 276 G HA3 0.625 4.593 3.960 0.014 0.000 0.264 276 G C 0.515 175.455 174.900 0.065 0.000 1.200 276 G CA -0.105 45.049 45.100 0.089 0.000 0.896 276 G HN 0.905 nan 8.290 nan 0.000 0.536 277 E N -0.137 120.094 120.200 0.052 0.000 2.425 277 E HA 0.034 4.392 4.350 0.014 0.000 0.258 277 E C 0.168 176.792 176.600 0.040 0.000 1.151 277 E CA -0.265 56.157 56.400 0.035 0.000 0.958 277 E CB 0.958 30.676 29.700 0.031 0.000 0.968 277 E HN 0.307 nan 8.360 nan 0.000 0.451 278 I N 1.921 122.503 120.570 0.020 0.000 2.648 278 I HA -0.101 4.077 4.170 0.014 0.000 0.284 278 I C 1.562 177.689 176.117 0.016 0.000 1.153 278 I CA 0.303 61.608 61.300 0.008 0.000 1.426 278 I CB 0.305 38.305 38.000 -0.001 0.000 1.381 278 I HN 0.569 nan 8.210 nan 0.000 0.571 279 I N 1.741 122.315 120.570 0.006 0.000 4.244 279 I HA 0.250 4.428 4.170 0.014 0.000 0.318 279 I C -0.147 175.970 176.117 -0.001 0.000 1.282 279 I CA 0.229 61.541 61.300 0.020 0.000 1.276 279 I CB 0.523 38.562 38.000 0.066 0.000 1.183 279 I HN 0.616 nan 8.210 nan 0.000 0.431 280 D N 0.225 120.611 120.400 -0.025 0.000 3.103 280 D HA 0.168 4.816 4.640 0.014 0.000 0.337 280 D C 0.303 176.586 176.300 -0.028 0.000 1.356 280 D CA -0.404 53.583 54.000 -0.022 0.000 0.951 280 D CB 0.619 41.404 40.800 -0.025 0.000 1.438 280 D HN -0.167 nan 8.370 nan 0.000 0.562 281 E N -1.021 119.164 120.200 -0.025 0.000 2.265 281 E HA -0.029 4.329 4.350 0.014 0.000 0.196 281 E C 1.287 177.868 176.600 -0.032 0.000 0.996 281 E CA 0.971 57.357 56.400 -0.023 0.000 0.832 281 E CB -0.019 29.670 29.700 -0.018 0.000 0.756 281 E HN 0.219 nan 8.360 nan 0.000 0.491 282 R N -0.203 120.269 120.500 -0.046 0.000 2.359 282 R HA 0.307 4.655 4.340 0.014 0.000 0.231 282 R C 0.707 176.964 176.300 -0.072 0.000 0.913 282 R CA 0.648 56.714 56.100 -0.057 0.000 1.075 282 R CB 0.700 30.960 30.300 -0.065 0.000 1.087 282 R HN 0.187 nan 8.270 nan 0.000 0.515 283 G N -0.489 108.271 108.800 -0.067 0.000 2.337 283 G HA2 -0.072 3.896 3.960 0.014 0.000 0.197 283 G HA3 -0.072 3.896 3.960 0.014 0.000 0.197 283 G C -0.385 174.460 174.900 -0.091 0.000 1.238 283 G CA -0.663 44.396 45.100 -0.069 0.000 1.119 283 G HN 0.408 nan 8.290 nan 0.000 0.514 284 G N -1.989 106.757 108.800 -0.090 0.000 3.140 284 G HA2 0.660 4.629 3.960 0.014 0.000 0.271 284 G HA3 0.660 4.629 3.960 0.014 0.000 0.271 284 G C -1.595 173.224 174.900 -0.135 0.000 1.370 284 G CA -0.787 44.271 45.100 -0.070 0.000 1.014 284 G HN 0.752 nan 8.290 nan 0.000 0.541 285 Y N 0.677 120.988 120.300 0.018 0.000 2.404 285 Y HA 0.444 5.002 4.550 0.013 0.000 0.344 285 Y C 1.345 177.267 175.900 0.037 0.000 0.970 285 Y CA 0.086 58.200 58.100 0.024 0.000 1.180 285 Y CB 1.918 40.397 38.460 0.031 0.000 1.138 285 Y HN 0.541 nan 8.280 nan 0.000 0.510 286 A N 1.722 124.619 122.820 0.129 0.000 2.067 286 A HA -0.114 4.214 4.320 0.014 0.000 0.217 286 A C 1.306 178.966 177.584 0.126 0.000 1.156 286 A CA 1.229 53.326 52.037 0.100 0.000 0.683 286 A CB -0.246 18.771 19.000 0.030 0.000 0.808 286 A HN 0.794 nan 8.150 nan 0.000 0.455 287 D N -0.413 120.060 120.400 0.122 0.000 2.370 287 D HA 0.119 4.767 4.640 0.014 0.000 0.230 287 D C 0.411 176.821 176.300 0.183 0.000 1.143 287 D CA 0.000 54.010 54.000 0.017 0.000 0.834 287 D CB -0.107 40.687 40.800 -0.011 0.000 0.944 287 D HN 0.398 nan 8.370 nan 0.000 0.504 288 R N -0.717 119.987 120.500 0.339 0.000 2.808 288 R HA 0.739 5.087 4.340 0.014 0.000 0.272 288 R C -1.531 174.901 176.300 0.221 0.000 0.995 288 R CA -1.143 55.135 56.100 0.296 0.000 0.917 288 R CB 3.109 33.455 30.300 0.076 0.000 1.217 288 R HN -0.015 nan 8.270 nan 0.000 0.471 289 V N 0.452 120.376 119.914 0.017 0.000 3.012 289 V HA 0.521 4.649 4.120 0.014 0.000 0.307 289 V C -1.454 174.568 176.094 -0.120 0.000 1.166 289 V CA -0.284 61.930 62.300 -0.143 0.000 0.974 289 V CB 2.744 34.303 31.823 -0.440 0.000 1.040 289 V HN 0.810 nan 8.190 nan 0.000 0.428 290 T N 7.428 121.928 114.554 -0.091 0.000 2.786 290 T HA 0.586 4.944 4.350 0.014 0.000 0.283 290 T C -0.912 173.743 174.700 -0.075 0.000 0.992 290 T CA -0.390 61.670 62.100 -0.068 0.000 0.954 290 T CB 1.009 69.854 68.868 -0.038 0.000 0.934 290 T HN 0.435 nan 8.240 nan 0.000 0.440 291 L N 3.630 124.809 121.223 -0.073 0.000 2.322 291 L HA 0.590 4.938 4.340 0.014 0.000 0.279 291 L C 0.481 177.320 176.870 -0.050 0.000 1.036 291 L CA -0.350 54.449 54.840 -0.068 0.000 0.807 291 L CB 1.252 43.268 42.059 -0.071 0.000 1.226 291 L HN 0.549 nan 8.230 nan 0.000 0.433 292 R N 3.183 123.655 120.500 -0.048 0.000 2.483 292 R HA 0.627 4.975 4.340 0.014 0.000 0.303 292 R C -1.434 174.839 176.300 -0.044 0.000 0.987 292 R CA -0.864 55.209 56.100 -0.044 0.000 0.881 292 R CB 2.073 32.348 30.300 -0.042 0.000 1.177 292 R HN 0.263 nan 8.270 nan 0.000 0.451 293 L N 2.576 123.774 121.223 -0.042 0.000 2.341 293 L HA 0.382 4.730 4.340 0.014 0.000 0.278 293 L C -0.129 176.715 176.870 -0.043 0.000 1.005 293 L CA -0.530 54.284 54.840 -0.043 0.000 0.818 293 L CB 1.686 43.724 42.059 -0.036 0.000 1.259 293 L HN 0.456 nan 8.230 nan 0.000 0.418 294 N N 1.829 120.498 118.700 -0.052 0.000 2.518 294 N HA 0.506 5.254 4.740 0.014 0.000 0.283 294 N C -1.126 174.337 175.510 -0.079 0.000 1.119 294 N CA -0.222 52.793 53.050 -0.058 0.000 0.983 294 N CB 2.219 40.674 38.487 -0.054 0.000 1.139 294 N HN 0.207 nan 8.380 nan 0.000 0.465 295 V N 2.166 122.018 119.914 -0.103 0.000 2.524 295 V HA 0.166 4.294 4.120 0.014 0.000 0.297 295 V C -0.330 175.680 176.094 -0.140 0.000 1.035 295 V CA -0.874 61.324 62.300 -0.171 0.000 0.867 295 V CB 1.889 33.502 31.823 -0.350 0.000 1.004 295 V HN 0.487 nan 8.190 nan 0.000 0.426 296 E N 2.868 123.013 120.200 -0.092 0.000 2.283 296 E HA 0.296 4.654 4.350 0.014 0.000 0.278 296 E C 0.215 176.791 176.600 -0.040 0.000 1.027 296 E CA -0.427 55.944 56.400 -0.049 0.000 0.843 296 E CB 0.556 30.238 29.700 -0.030 0.000 1.062 296 E HN 0.747 nan 8.360 nan 0.000 0.401 297 N N 1.152 119.851 118.700 -0.002 0.000 2.688 297 N HA -0.149 4.600 4.740 0.014 0.000 0.258 297 N C -2.490 173.024 175.510 0.008 0.000 1.016 297 N CA 0.073 53.139 53.050 0.026 0.000 0.747 297 N CB -0.995 37.507 38.487 0.025 0.000 0.895 297 N HN 0.322 nan 8.380 nan 0.000 0.543 298 P HA 0.005 nan 4.420 nan 0.000 0.269 298 P C -0.280 177.060 177.300 0.066 0.000 1.209 298 P CA 0.287 63.303 63.100 -0.140 0.000 0.776 298 P CB 0.726 32.160 31.700 -0.444 0.000 0.876 299 K N 2.851 123.369 120.400 0.196 0.000 2.349 299 K HA 0.299 4.627 4.320 0.014 0.000 0.288 299 K C 0.276 177.039 176.600 0.272 0.000 1.058 299 K CA -0.254 56.143 56.287 0.182 0.000 0.953 299 K CB -0.047 32.519 32.500 0.110 0.000 0.997 299 K HN 0.484 nan 8.250 nan 0.000 0.477 300 L N 2.437 123.755 121.223 0.158 0.000 2.350 300 L HA 0.321 4.669 4.340 0.014 0.000 0.275 300 L C 0.225 177.182 176.870 0.145 0.000 1.099 300 L CA -0.935 54.002 54.840 0.161 0.000 0.808 300 L CB 0.624 42.628 42.059 -0.093 0.000 1.149 300 L HN 0.543 nan 8.230 nan 0.000 0.442 301 W N 3.542 124.881 121.300 0.066 0.000 2.365 301 W HA 0.469 5.136 4.660 0.012 0.000 0.316 301 W C 0.041 176.508 176.519 -0.086 0.000 1.164 301 W CA 0.105 57.467 57.345 0.029 0.000 1.204 301 W CB 1.253 30.780 29.460 0.112 0.000 1.213 301 W HN 0.610 nan 8.180 nan 0.000 0.539 302 S N 3.064 118.241 115.700 -0.870 0.000 2.656 302 S HA 0.655 5.133 4.470 0.014 0.000 0.273 302 S C 0.124 173.918 174.600 -1.344 0.000 1.168 302 S CA -0.374 57.312 58.200 -0.857 0.000 0.817 302 S CB 1.186 64.176 63.200 -0.350 0.000 1.146 302 S HN 0.964 nan 8.310 nan 0.000 0.475 303 A N 0.354 122.545 122.820 -1.048 0.000 2.066 303 A HA 0.079 4.407 4.320 0.014 0.000 0.218 303 A C 1.745 179.014 177.584 -0.526 0.000 1.157 303 A CA 1.327 52.782 52.037 -0.969 0.000 0.670 303 A CB -0.901 17.390 19.000 -1.182 0.000 0.804 303 A HN 0.867 nan 8.150 nan 0.000 0.453 304 E N -0.821 119.208 120.200 -0.286 0.000 2.107 304 E HA 0.067 4.425 4.350 0.014 0.000 0.191 304 E C -0.228 176.254 176.600 -0.197 0.000 0.982 304 E CA 0.670 56.969 56.400 -0.167 0.000 0.809 304 E CB 0.055 29.786 29.700 0.051 0.000 0.756 304 E HN 0.573 nan 8.360 nan 0.000 0.459 305 I N 1.770 122.192 120.570 -0.245 0.000 2.560 305 I HA 0.144 4.322 4.170 0.014 0.000 0.278 305 I C -2.491 173.424 176.117 -0.336 0.000 1.089 305 I CA -1.814 59.364 61.300 -0.203 0.000 1.086 305 I CB 2.318 40.250 38.000 -0.113 0.000 1.202 305 I HN -0.210 nan 8.210 nan 0.000 0.471 306 P HA 0.080 nan 4.420 nan 0.000 0.225 306 P C -0.521 176.785 177.300 0.010 0.000 1.768 306 P CA -0.281 62.543 63.100 -0.461 0.000 0.943 306 P CB -0.295 31.265 31.700 -0.233 0.000 1.936 307 N N 1.514 120.241 118.700 0.045 0.000 2.412 307 N HA 0.087 4.835 4.740 0.014 0.000 0.258 307 N C 0.123 175.859 175.510 0.377 0.000 1.236 307 N CA 0.610 53.757 53.050 0.162 0.000 0.882 307 N CB 0.598 39.181 38.487 0.161 0.000 1.066 307 N HN 0.309 nan 8.380 nan 0.000 0.465 308 L N 2.266 123.636 121.223 0.245 0.000 2.371 308 L HA 0.474 4.822 4.340 0.014 0.000 0.262 308 L C -0.866 176.115 176.870 0.185 0.000 1.006 308 L CA -0.883 54.148 54.840 0.319 0.000 0.818 308 L CB 1.340 43.546 42.059 0.245 0.000 1.354 308 L HN 0.374 nan 8.230 nan 0.000 0.415 309 Y N 0.205 120.652 120.300 0.246 0.000 2.621 309 Y HA 0.652 5.210 4.550 0.014 0.000 0.334 309 Y C -0.148 175.871 175.900 0.198 0.000 1.074 309 Y CA -0.853 57.390 58.100 0.239 0.000 1.149 309 Y CB 1.646 40.299 38.460 0.322 0.000 1.302 309 Y HN 0.383 nan 8.280 nan 0.000 0.501 310 R N 1.135 121.866 120.500 0.384 0.000 2.387 310 R HA 0.808 5.156 4.340 0.014 0.000 0.314 310 R C -1.562 174.924 176.300 0.310 0.000 0.958 310 R CA -0.489 55.765 56.100 0.258 0.000 0.846 310 R CB 0.971 31.354 30.300 0.138 0.000 1.147 310 R HN 0.755 nan 8.270 nan 0.000 0.447 311 A N 3.823 126.766 122.820 0.205 0.000 2.304 311 A HA 0.622 4.950 4.320 0.014 0.000 0.323 311 A C -1.061 176.580 177.584 0.095 0.000 1.195 311 A CA -0.675 51.467 52.037 0.175 0.000 0.826 311 A CB 1.416 20.474 19.000 0.096 0.000 1.184 311 A HN 0.504 nan 8.150 nan 0.000 0.496 312 V N 3.317 123.304 119.914 0.120 0.000 2.417 312 V HA 0.342 4.470 4.120 0.014 0.000 0.291 312 V C -0.337 175.732 176.094 -0.041 0.000 1.024 312 V CA -0.441 61.861 62.300 0.003 0.000 0.861 312 V CB 1.672 33.518 31.823 0.039 0.000 0.985 312 V HN 0.626 nan 8.190 nan 0.000 0.436 313 V N 5.385 125.206 119.914 -0.155 0.000 2.318 313 V HA 0.384 4.512 4.120 0.014 0.000 0.271 313 V C 0.022 176.064 176.094 -0.087 0.000 1.030 313 V CA -0.565 61.623 62.300 -0.187 0.000 0.844 313 V CB 0.952 32.505 31.823 -0.449 0.000 1.015 313 V HN 0.923 nan 8.190 nan 0.000 0.460 314 E N 4.128 124.333 120.200 0.007 0.000 2.166 314 E HA 0.531 4.889 4.350 0.014 0.000 0.275 314 E C -0.930 175.751 176.600 0.134 0.000 0.941 314 E CA -0.867 55.589 56.400 0.094 0.000 0.784 314 E CB 2.525 32.320 29.700 0.159 0.000 1.115 314 E HN 0.458 nan 8.360 nan 0.000 0.399 315 L N 4.539 125.824 121.223 0.103 0.000 2.276 315 L HA 0.377 4.725 4.340 0.014 0.000 0.286 315 L C -1.110 175.834 176.870 0.124 0.000 1.024 315 L CA 0.009 54.891 54.840 0.070 0.000 0.826 315 L CB -0.060 42.038 42.059 0.066 0.000 1.211 315 L HN 0.674 nan 8.230 nan 0.000 0.422 316 H N 0.378 119.502 119.070 0.090 0.000 2.966 316 H HA 0.775 5.339 4.556 0.013 0.000 0.330 316 H C -0.574 174.835 175.328 0.134 0.000 1.292 316 H CA -0.477 55.623 56.048 0.087 0.000 1.127 316 H CB 0.578 30.370 29.762 0.050 0.000 1.863 316 H HN 0.458 nan 8.280 nan 0.000 0.543 317 T N -2.056 112.669 114.554 0.285 0.000 2.849 317 T HA 0.476 4.834 4.350 0.014 0.000 0.284 317 T C 1.504 176.393 174.700 0.315 0.000 1.004 317 T CA -0.317 61.940 62.100 0.262 0.000 1.021 317 T CB 1.253 70.179 68.868 0.098 0.000 1.013 317 T HN 0.935 nan 8.240 nan 0.000 0.527 318 A N 1.082 124.047 122.820 0.241 0.000 1.978 318 A HA -0.068 4.260 4.320 0.014 0.000 0.220 318 A C 1.518 179.200 177.584 0.162 0.000 1.170 318 A CA 1.708 53.864 52.037 0.198 0.000 0.636 318 A CB -0.994 18.098 19.000 0.154 0.000 0.810 318 A HN 0.936 nan 8.150 nan 0.000 0.448 319 D N -1.882 118.588 120.400 0.117 0.000 2.325 319 D HA 0.381 5.029 4.640 0.014 0.000 0.225 319 D C 1.005 177.333 176.300 0.047 0.000 1.096 319 D CA 0.734 54.772 54.000 0.064 0.000 0.844 319 D CB -0.196 40.621 40.800 0.028 0.000 0.925 319 D HN 0.617 nan 8.370 nan 0.000 0.513 320 G N -0.298 108.556 108.800 0.089 0.000 2.134 320 G HA2 -0.235 3.733 3.960 0.014 0.000 0.209 320 G HA3 -0.235 3.733 3.960 0.014 0.000 0.209 320 G C 0.212 175.118 174.900 0.010 0.000 0.993 320 G CA -0.164 44.925 45.100 -0.018 0.000 0.669 320 G HN 0.310 nan 8.290 nan 0.000 0.519 321 T N 1.265 115.862 114.554 0.071 0.000 2.817 321 T HA 0.504 4.862 4.350 0.014 0.000 0.293 321 T C 0.372 175.136 174.700 0.107 0.000 0.964 321 T CA -0.258 61.874 62.100 0.053 0.000 1.085 321 T CB 1.724 70.611 68.868 0.030 0.000 0.921 321 T HN 0.539 nan 8.240 nan 0.000 0.502 322 L N 4.888 126.153 121.223 0.071 0.000 2.410 322 L HA 0.325 4.673 4.340 0.014 0.000 0.273 322 L C 0.733 177.656 176.870 0.088 0.000 1.152 322 L CA 0.417 55.316 54.840 0.098 0.000 0.855 322 L CB -0.006 42.085 42.059 0.052 0.000 1.129 322 L HN 0.717 nan 8.230 nan 0.000 0.463 323 I N 2.671 123.304 120.570 0.106 0.000 2.512 323 I HA 0.120 4.298 4.170 0.014 0.000 0.247 323 I C 0.264 176.408 176.117 0.045 0.000 1.094 323 I CA 0.427 61.768 61.300 0.068 0.000 1.427 323 I CB 0.187 38.229 38.000 0.070 0.000 1.149 323 I HN 0.802 nan 8.210 nan 0.000 0.438 324 E N 0.160 120.388 120.200 0.047 0.000 2.409 324 E HA 0.709 5.067 4.350 0.014 0.000 0.280 324 E C -1.495 175.131 176.600 0.043 0.000 1.079 324 E CA -1.089 55.331 56.400 0.033 0.000 0.840 324 E CB 1.808 31.495 29.700 -0.021 0.000 1.309 324 E HN -0.009 nan 8.360 nan 0.000 0.447 325 A N 1.137 124.007 122.820 0.083 0.000 2.449 325 A HA 0.707 5.036 4.320 0.014 0.000 0.302 325 A C -1.075 176.614 177.584 0.174 0.000 1.048 325 A CA -0.733 51.352 52.037 0.081 0.000 0.708 325 A CB 1.770 20.809 19.000 0.066 0.000 1.274 325 A HN 0.501 nan 8.150 nan 0.000 0.410 326 E N -0.371 119.860 120.200 0.052 0.000 2.378 326 E HA 0.854 5.212 4.350 0.014 0.000 0.265 326 E C -0.494 176.137 176.600 0.051 0.000 0.932 326 E CA -0.447 56.033 56.400 0.133 0.000 0.795 326 E CB 2.385 32.046 29.700 -0.065 0.000 1.296 326 E HN 1.213 nan 8.360 nan 0.000 0.438 327 A N -0.114 122.853 122.820 0.246 0.000 2.586 327 A HA 0.755 5.083 4.320 0.014 0.000 0.290 327 A C -1.215 176.542 177.584 0.288 0.000 1.086 327 A CA -0.355 51.746 52.037 0.106 0.000 0.665 327 A CB 0.778 19.763 19.000 -0.025 0.000 1.279 327 A HN 0.889 nan 8.150 nan 0.000 0.423 328 C N -0.613 118.811 119.300 0.207 0.000 3.307 328 C HA 0.774 5.242 4.460 0.014 0.000 0.333 328 C C -1.407 173.681 174.990 0.164 0.000 1.291 328 C CA -0.968 58.193 59.018 0.237 0.000 1.273 328 C CB 0.957 28.873 27.740 0.293 0.000 1.580 328 C HN 0.826 nan 8.230 nan 0.000 0.481 329 D N 0.982 121.469 120.400 0.145 0.000 2.302 329 D HA 0.553 5.201 4.640 0.014 0.000 0.248 329 D C -0.287 176.079 176.300 0.110 0.000 1.094 329 D CA 0.140 54.225 54.000 0.142 0.000 0.897 329 D CB 1.831 42.718 40.800 0.145 0.000 1.200 329 D HN 0.562 nan 8.370 nan 0.000 0.429 330 V N 0.862 120.868 119.914 0.153 0.000 2.495 330 V HA 0.659 4.787 4.120 0.014 0.000 0.298 330 V C 0.580 176.761 176.094 0.144 0.000 1.031 330 V CA -0.857 61.485 62.300 0.070 0.000 0.871 330 V CB 2.020 33.866 31.823 0.039 0.000 0.988 330 V HN 0.608 nan 8.190 nan 0.000 0.432 331 G N 2.972 111.752 108.800 -0.033 0.000 2.502 331 G HA2 0.600 4.568 3.960 0.014 0.000 0.311 331 G HA3 0.600 4.568 3.960 0.014 0.000 0.311 331 G C -0.996 173.973 174.900 0.115 0.000 1.270 331 G CA -0.378 44.775 45.100 0.087 0.000 0.948 331 G HN 0.421 nan 8.290 nan 0.000 0.487 332 F N 4.050 124.188 119.950 0.313 0.000 2.466 332 F HA 0.441 4.976 4.527 0.013 0.000 0.363 332 F C 1.153 177.222 175.800 0.447 0.000 1.109 332 F CA 0.017 58.257 58.000 0.400 0.000 1.161 332 F CB 0.704 39.946 39.000 0.405 0.000 1.117 332 F HN 0.461 nan 8.300 nan 0.000 0.539 333 R N 3.085 123.890 120.500 0.507 0.000 2.634 333 R HA 0.367 4.715 4.340 0.014 0.000 0.263 333 R C -1.872 174.562 176.300 0.224 0.000 1.060 333 R CA -0.810 55.409 56.100 0.198 0.000 0.898 333 R CB 1.430 31.885 30.300 0.259 0.000 1.253 333 R HN 0.598 nan 8.270 nan 0.000 0.461 334 E N 2.093 122.289 120.200 -0.007 0.000 2.171 334 E HA 0.466 4.824 4.350 0.014 0.000 0.271 334 E C -1.149 175.502 176.600 0.085 0.000 0.916 334 E CA -0.945 55.555 56.400 0.167 0.000 0.774 334 E CB 2.063 31.934 29.700 0.285 0.000 1.128 334 E HN 0.400 nan 8.360 nan 0.000 0.403 335 V N 5.626 125.601 119.914 0.102 0.000 2.409 335 V HA 0.546 4.674 4.120 0.014 0.000 0.291 335 V C -0.181 175.955 176.094 0.070 0.000 1.020 335 V CA -0.612 61.723 62.300 0.057 0.000 0.848 335 V CB 1.178 33.017 31.823 0.027 0.000 0.990 335 V HN 0.708 nan 8.190 nan 0.000 0.430 336 R N 4.635 125.172 120.500 0.061 0.000 2.680 336 R HA 0.682 5.030 4.340 0.014 0.000 0.269 336 R C -2.135 174.195 176.300 0.050 0.000 1.026 336 R CA -0.873 55.267 56.100 0.068 0.000 0.889 336 R CB 1.919 32.275 30.300 0.094 0.000 1.241 336 R HN 0.553 nan 8.270 nan 0.000 0.463 337 I N 1.981 122.581 120.570 0.051 0.000 2.321 337 I HA 0.322 4.500 4.170 0.014 0.000 0.291 337 I C -0.531 175.612 176.117 0.043 0.000 0.998 337 I CA -0.369 60.955 61.300 0.039 0.000 1.227 337 I CB 1.740 39.765 38.000 0.042 0.000 1.368 337 I HN 0.694 nan 8.210 nan 0.000 0.466 338 E N 6.112 126.334 120.200 0.036 0.000 2.263 338 E HA 0.252 4.610 4.350 0.014 0.000 0.268 338 E C -0.241 176.375 176.600 0.028 0.000 0.884 338 E CA -0.543 55.880 56.400 0.038 0.000 0.766 338 E CB 1.013 30.742 29.700 0.048 0.000 1.196 338 E HN 0.529 nan 8.360 nan 0.000 0.416 339 N N 3.158 121.874 118.700 0.026 0.000 2.725 339 N HA -0.227 4.521 4.740 0.014 0.000 0.249 339 N C 0.461 175.978 175.510 0.012 0.000 1.103 339 N CA 2.049 55.110 53.050 0.019 0.000 0.707 339 N CB -1.191 37.306 38.487 0.017 0.000 1.043 339 N HN 0.994 nan 8.380 nan 0.000 0.553 340 G N -2.283 106.525 108.800 0.013 0.000 2.176 340 G HA2 -0.280 3.688 3.960 0.014 0.000 0.253 340 G HA3 -0.280 3.688 3.960 0.014 0.000 0.253 340 G C -0.088 174.808 174.900 -0.006 0.000 0.979 340 G CA 0.469 45.572 45.100 0.005 0.000 0.641 340 G HN 0.444 nan 8.290 nan 0.000 0.530 341 L N 0.258 121.478 121.223 -0.004 0.000 2.346 341 L HA 0.709 5.057 4.340 0.014 0.000 0.276 341 L C 0.075 176.937 176.870 -0.014 0.000 1.006 341 L CA -1.308 53.522 54.840 -0.017 0.000 0.817 341 L CB 1.823 43.873 42.059 -0.015 0.000 1.272 341 L HN 0.092 nan 8.230 nan 0.000 0.421 342 L N 4.596 125.798 121.223 -0.035 0.000 2.278 342 L HA 0.437 4.785 4.340 0.014 0.000 0.287 342 L C -0.751 176.097 176.870 -0.037 0.000 1.072 342 L CA 0.366 55.187 54.840 -0.033 0.000 0.819 342 L CB 0.374 42.398 42.059 -0.058 0.000 1.176 342 L HN 0.394 nan 8.230 nan 0.000 0.435 343 L N 6.024 127.242 121.223 -0.009 0.000 2.334 343 L HA 0.538 4.887 4.340 0.014 0.000 0.276 343 L C -0.789 176.081 176.870 0.000 0.000 1.014 343 L CA -0.828 54.015 54.840 0.004 0.000 0.815 343 L CB 1.948 44.033 42.059 0.044 0.000 1.268 343 L HN 0.553 nan 8.230 nan 0.000 0.428 344 L N 3.816 125.046 121.223 0.011 0.000 2.343 344 L HA 0.469 4.817 4.340 0.014 0.000 0.278 344 L C -0.227 176.613 176.870 -0.051 0.000 0.996 344 L CA -0.100 54.743 54.840 0.004 0.000 0.831 344 L CB 0.851 42.926 42.059 0.027 0.000 1.232 344 L HN 0.618 nan 8.230 nan 0.000 0.413 345 N N 4.015 122.511 118.700 -0.339 0.000 2.721 345 N HA -0.219 4.529 4.740 0.014 0.000 0.249 345 N C 0.884 175.962 175.510 -0.721 0.000 1.072 345 N CA 1.347 53.790 53.050 -1.012 0.000 0.710 345 N CB -1.357 36.486 38.487 -1.072 0.000 0.993 345 N HN 1.165 nan 8.380 nan 0.000 0.547 346 G N -2.009 106.704 108.800 -0.145 0.000 2.179 346 G HA2 -0.344 3.624 3.960 0.014 0.000 0.260 346 G HA3 -0.344 3.624 3.960 0.014 0.000 0.260 346 G C -0.097 174.853 174.900 0.083 0.000 0.977 346 G CA 0.846 46.023 45.100 0.128 0.000 0.641 346 G HN 0.434 nan 8.290 nan 0.000 0.533 347 K N 0.784 121.224 120.400 0.068 0.000 2.259 347 K HA 0.506 4.834 4.320 0.014 0.000 0.252 347 K C -2.898 173.695 176.600 -0.012 0.000 0.936 347 K CA -2.045 54.253 56.287 0.018 0.000 0.810 347 K CB 2.846 35.307 32.500 -0.066 0.000 1.143 347 K HN 0.031 nan 8.250 nan 0.000 0.427 348 P HA 0.195 nan 4.420 nan 0.000 0.281 348 P C -0.059 177.184 177.300 -0.095 0.000 1.286 348 P CA -0.209 62.853 63.100 -0.063 0.000 0.772 348 P CB 0.483 32.147 31.700 -0.060 0.000 0.862 349 L N 3.548 124.707 121.223 -0.108 0.000 2.464 349 L HA 0.274 4.622 4.340 0.014 0.000 0.264 349 L C 0.657 177.448 176.870 -0.132 0.000 1.199 349 L CA -0.535 54.228 54.840 -0.129 0.000 0.818 349 L CB 0.333 42.264 42.059 -0.213 0.000 1.102 349 L HN 0.271 nan 8.230 nan 0.000 0.473 350 L N 3.424 124.587 121.223 -0.100 0.000 2.427 350 L HA 0.404 4.752 4.340 0.014 0.000 0.264 350 L C -0.524 176.305 176.870 -0.067 0.000 0.989 350 L CA -0.211 54.558 54.840 -0.119 0.000 0.865 350 L CB 0.929 42.950 42.059 -0.064 0.000 1.209 350 L HN 0.235 nan 8.230 nan 0.000 0.430 351 I N 4.872 125.333 120.570 -0.183 0.000 2.421 351 I HA 0.186 4.364 4.170 0.014 0.000 0.291 351 I C 0.618 176.698 176.117 -0.061 0.000 1.089 351 I CA 0.254 61.450 61.300 -0.174 0.000 1.354 351 I CB 0.331 38.102 38.000 -0.382 0.000 1.413 351 I HN 0.567 nan 8.210 nan 0.000 0.513 352 R N 4.649 125.197 120.500 0.079 0.000 3.070 352 R HA 0.416 4.764 4.340 0.014 0.000 0.252 352 R C 0.548 176.947 176.300 0.166 0.000 1.370 352 R CA -0.254 55.925 56.100 0.131 0.000 1.482 352 R CB 0.779 30.979 30.300 -0.166 0.000 1.220 352 R HN 0.773 nan 8.270 nan 0.000 0.622 353 G N -0.022 108.836 108.800 0.096 0.000 2.552 353 G HA2 0.578 4.546 3.960 0.014 0.000 0.324 353 G HA3 0.578 4.546 3.960 0.014 0.000 0.324 353 G C -1.306 173.902 174.900 0.513 0.000 1.217 353 G CA -0.432 44.711 45.100 0.072 0.000 0.989 353 G HN 0.220 nan 8.290 nan 0.000 0.490 354 V N 0.077 120.305 119.914 0.524 0.000 2.932 354 V HA 0.448 4.576 4.120 0.014 0.000 0.307 354 V C -1.153 175.100 176.094 0.265 0.000 1.147 354 V CA -1.194 61.299 62.300 0.321 0.000 0.951 354 V CB 2.133 33.882 31.823 -0.125 0.000 1.031 354 V HN 0.761 nan 8.190 nan 0.000 0.426 355 N N 4.730 123.495 118.700 0.109 0.000 2.472 355 N HA 0.414 5.162 4.740 0.014 0.000 0.277 355 N C -0.714 174.607 175.510 -0.315 0.000 1.081 355 N CA -0.304 52.668 53.050 -0.130 0.000 0.973 355 N CB 1.537 39.901 38.487 -0.204 0.000 1.105 355 N HN 0.638 nan 8.380 nan 0.000 0.470 356 R N 2.330 122.620 120.500 -0.350 0.000 2.476 356 R HA 0.245 4.593 4.340 0.014 0.000 0.305 356 R C -0.859 175.194 176.300 -0.412 0.000 0.965 356 R CA -0.558 55.348 56.100 -0.324 0.000 0.867 356 R CB 0.917 31.019 30.300 -0.331 0.000 1.176 356 R HN 0.569 nan 8.270 nan 0.000 0.447 357 H N 2.124 121.049 119.070 -0.241 0.000 2.508 357 H HA 0.147 4.711 4.556 0.014 0.000 0.358 357 H C -0.505 174.810 175.328 -0.021 0.000 1.212 357 H CA -0.063 55.930 56.048 -0.091 0.000 1.356 357 H CB 1.482 31.260 29.762 0.026 0.000 1.525 357 H HN 0.571 nan 8.280 nan 0.000 0.578 358 E N 1.643 122.012 120.200 0.282 0.000 2.001 358 E HA 0.108 4.466 4.350 0.014 0.000 0.279 358 E C -0.779 175.952 176.600 0.219 0.000 1.045 358 E CA -0.043 56.450 56.400 0.156 0.000 0.833 358 E CB 0.318 30.130 29.700 0.187 0.000 1.077 358 E HN 0.379 nan 8.360 nan 0.000 0.397 359 H N 1.769 120.891 119.070 0.085 0.000 2.856 359 H HA 0.249 4.813 4.556 0.013 0.000 0.355 359 H C -1.632 173.733 175.328 0.063 0.000 1.079 359 H CA -0.644 55.448 56.048 0.073 0.000 1.240 359 H CB 1.039 30.833 29.762 0.054 0.000 1.701 359 H HN 0.395 nan 8.280 nan 0.000 0.527 360 H N 6.465 125.143 119.070 -0.652 0.000 2.744 360 H HA 0.207 4.771 4.556 0.013 0.000 0.339 360 H C -2.329 172.622 175.328 -0.627 0.000 1.004 360 H CA -2.359 53.441 56.048 -0.414 0.000 1.257 360 H CB 2.635 32.304 29.762 -0.153 0.000 1.552 360 H HN 0.558 nan 8.280 nan 0.000 0.522 361 P HA -0.063 nan 4.420 nan 0.000 0.225 361 P C 1.142 178.326 177.300 -0.193 0.000 1.148 361 P CA 0.648 63.580 63.100 -0.280 0.000 0.779 361 P CB 0.894 32.479 31.700 -0.192 0.000 0.780 362 L N -1.626 119.585 121.223 -0.020 0.000 2.349 362 L HA 0.111 4.459 4.340 0.014 0.000 0.200 362 L C 2.452 179.106 176.870 -0.359 0.000 1.064 362 L CA 0.535 55.233 54.840 -0.237 0.000 0.821 362 L CB -0.527 41.215 42.059 -0.530 0.000 1.027 362 L HN -0.030 nan 8.230 nan 0.000 0.476 363 H N -0.162 118.931 119.070 0.039 0.000 2.548 363 H HA 0.248 4.812 4.556 0.013 0.000 0.265 363 H C 1.347 176.575 175.328 -0.166 0.000 0.969 363 H CA 0.726 56.677 56.048 -0.162 0.000 1.155 363 H CB 0.285 29.834 29.762 -0.355 0.000 1.394 363 H HN 0.419 nan 8.280 nan 0.000 0.570 364 G N 1.316 110.029 108.800 -0.145 0.000 2.552 364 G HA2 -0.321 3.647 3.960 0.014 0.000 0.267 364 G HA3 -0.321 3.647 3.960 0.014 0.000 0.267 364 G C 0.556 175.355 174.900 -0.169 0.000 1.174 364 G CA 0.191 45.149 45.100 -0.238 0.000 0.955 364 G HN 0.422 nan 8.290 nan 0.000 0.546 365 Q N -0.014 119.716 119.800 -0.116 0.000 2.204 365 Q HA 0.468 4.816 4.340 0.014 0.000 0.209 365 Q C 0.225 176.300 176.000 0.125 0.000 0.861 365 Q CA -0.106 55.672 55.803 -0.041 0.000 0.971 365 Q CB 1.380 29.988 28.738 -0.218 0.000 1.095 365 Q HN 0.368 nan 8.270 nan 0.000 0.486 366 V N 2.007 121.981 119.914 0.100 0.000 2.461 366 V HA 0.191 4.319 4.120 0.014 0.000 0.275 366 V C 0.187 176.313 176.094 0.053 0.000 1.047 366 V CA 0.039 62.405 62.300 0.109 0.000 0.955 366 V CB 1.005 32.832 31.823 0.007 0.000 0.988 366 V HN 0.328 nan 8.190 nan 0.000 0.471 367 M N 4.615 124.238 119.600 0.038 0.000 2.423 367 M HA 0.498 4.986 4.480 0.014 0.000 0.335 367 M C -0.470 175.740 176.300 -0.149 0.000 1.177 367 M CA -0.582 54.683 55.300 -0.058 0.000 1.038 367 M CB 1.560 34.083 32.600 -0.129 0.000 1.641 367 M HN 0.958 nan 8.290 nan 0.000 0.455 368 D N -1.322 119.006 120.400 -0.120 0.000 2.581 368 D HA 0.257 4.905 4.640 0.014 0.000 0.232 368 D C 0.290 176.558 176.300 -0.054 0.000 1.143 368 D CA -0.649 53.291 54.000 -0.100 0.000 0.881 368 D CB 1.469 42.230 40.800 -0.064 0.000 1.500 368 D HN 0.666 nan 8.370 nan 0.000 0.458 369 E N 0.069 120.256 120.200 -0.021 0.000 2.077 369 E HA -0.284 4.074 4.350 0.014 0.000 0.193 369 E C 1.519 178.162 176.600 0.072 0.000 0.989 369 E CA 1.550 57.973 56.400 0.038 0.000 0.800 369 E CB 0.120 29.856 29.700 0.061 0.000 0.746 369 E HN 0.590 nan 8.360 nan 0.000 0.452 370 Q N -0.411 119.430 119.800 0.068 0.000 2.061 370 Q HA -0.153 4.196 4.340 0.014 0.000 0.204 370 Q C 2.282 178.343 176.000 0.103 0.000 0.984 370 Q CA 2.144 57.998 55.803 0.086 0.000 0.846 370 Q CB -0.174 28.615 28.738 0.085 0.000 0.902 370 Q HN 0.256 nan 8.270 nan 0.000 0.421 371 T N 0.998 115.621 114.554 0.115 0.000 2.746 371 T HA -0.120 4.238 4.350 0.014 0.000 0.267 371 T C 1.840 176.623 174.700 0.139 0.000 1.039 371 T CA 1.259 63.444 62.100 0.142 0.000 1.142 371 T CB -0.152 68.828 68.868 0.186 0.000 0.866 371 T HN 0.228 nan 8.240 nan 0.000 0.444 372 M N 0.562 120.243 119.600 0.135 0.000 2.117 372 M HA -0.089 4.399 4.480 0.014 0.000 0.262 372 M C 2.471 178.888 176.300 0.195 0.000 1.065 372 M CA 1.308 56.755 55.300 0.243 0.000 1.114 372 M CB -0.651 32.127 32.600 0.297 0.000 1.361 372 M HN 0.093 nan 8.290 nan 0.000 0.408 373 V N 0.308 120.285 119.914 0.105 0.000 2.358 373 V HA -0.288 3.841 4.120 0.014 0.000 0.246 373 V C 2.358 178.443 176.094 -0.015 0.000 1.047 373 V CA 2.043 64.349 62.300 0.010 0.000 1.035 373 V CB -0.856 31.007 31.823 0.067 0.000 0.658 373 V HN 0.563 nan 8.190 nan 0.000 0.452 374 Q N -0.214 119.625 119.800 0.064 0.000 2.061 374 Q HA -0.281 4.067 4.340 0.014 0.000 0.204 374 Q C 1.969 178.031 176.000 0.104 0.000 0.984 374 Q CA 2.246 58.099 55.803 0.084 0.000 0.846 374 Q CB -0.156 28.651 28.738 0.116 0.000 0.902 374 Q HN 0.604 nan 8.270 nan 0.000 0.421 375 D N 0.344 120.825 120.400 0.135 0.000 2.097 375 D HA -0.145 4.503 4.640 0.014 0.000 0.195 375 D C 1.944 178.182 176.300 -0.104 0.000 0.989 375 D CA 1.241 55.319 54.000 0.130 0.000 0.827 375 D CB -0.214 40.663 40.800 0.128 0.000 0.966 375 D HN 0.360 nan 8.370 nan 0.000 0.456 376 I N 0.666 121.162 120.570 -0.123 0.000 2.226 376 I HA -0.238 3.940 4.170 0.014 0.000 0.245 376 I C 2.444 178.382 176.117 -0.298 0.000 1.100 376 I CA 0.632 61.740 61.300 -0.320 0.000 1.374 376 I CB -0.164 37.526 38.000 -0.517 0.000 1.057 376 I HN 0.025 nan 8.210 nan 0.000 0.413 377 L N 0.155 121.247 121.223 -0.219 0.000 2.017 377 L HA -0.241 4.107 4.340 0.014 0.000 0.208 377 L C 2.578 179.482 176.870 0.057 0.000 1.073 377 L CA 1.563 56.366 54.840 -0.060 0.000 0.745 377 L CB -0.613 41.455 42.059 0.014 0.000 0.894 377 L HN 0.316 nan 8.230 nan 0.000 0.432 378 L N -1.077 120.203 121.223 0.096 0.000 2.141 378 L HA -0.215 4.133 4.340 0.014 0.000 0.209 378 L C 2.679 179.676 176.870 0.210 0.000 1.094 378 L CA 1.057 56.036 54.840 0.232 0.000 0.763 378 L CB -0.188 42.106 42.059 0.393 0.000 0.908 378 L HN 0.295 nan 8.230 nan 0.000 0.437 379 M N -0.639 118.903 119.600 -0.097 0.000 2.067 379 M HA -0.248 4.240 4.480 0.014 0.000 0.260 379 M C 2.281 178.611 176.300 0.050 0.000 1.069 379 M CA 1.894 57.051 55.300 -0.239 0.000 1.117 379 M CB -0.279 31.978 32.600 -0.571 0.000 1.334 379 M HN 0.062 nan 8.290 nan 0.000 0.407 380 K N -0.083 120.239 120.400 -0.131 0.000 2.097 380 K HA -0.188 4.140 4.320 0.014 0.000 0.206 380 K C 1.925 178.413 176.600 -0.186 0.000 1.049 380 K CA 1.296 57.377 56.287 -0.344 0.000 0.933 380 K CB -0.242 31.779 32.500 -0.798 0.000 0.717 380 K HN 0.465 nan 8.250 nan 0.000 0.442 381 Q N 0.323 120.202 119.800 0.131 0.000 2.364 381 Q HA -0.049 4.299 4.340 0.014 0.000 0.209 381 Q C 0.748 177.022 176.000 0.457 0.000 0.977 381 Q CA 0.717 56.739 55.803 0.366 0.000 0.885 381 Q CB 0.134 29.082 28.738 0.350 0.000 0.941 381 Q HN 0.274 nan 8.270 nan 0.000 0.464 382 N N 0.480 119.406 118.700 0.378 0.000 2.273 382 N HA 0.056 4.804 4.740 0.014 0.000 0.231 382 N C -0.661 174.962 175.510 0.188 0.000 1.134 382 N CA 0.025 53.311 53.050 0.393 0.000 0.856 382 N CB 0.757 39.572 38.487 0.546 0.000 1.068 382 N HN 0.141 nan 8.380 nan 0.000 0.510 383 N N 0.147 118.950 118.700 0.172 0.000 2.782 383 N HA -0.186 4.562 4.740 0.014 0.000 0.251 383 N C -0.890 174.528 175.510 -0.154 0.000 1.101 383 N CA 0.796 53.887 53.050 0.067 0.000 0.764 383 N CB -1.766 36.656 38.487 -0.109 0.000 1.122 383 N HN 0.245 nan 8.380 nan 0.000 0.561 384 F N 1.127 121.079 119.950 0.003 0.000 2.384 384 F HA 0.306 4.841 4.527 0.013 0.000 0.338 384 F C 1.793 177.578 175.800 -0.024 0.000 1.103 384 F CA -0.609 57.381 58.000 -0.018 0.000 1.157 384 F CB 0.812 39.776 39.000 -0.061 0.000 1.167 384 F HN 0.043 nan 8.300 nan 0.000 0.529 385 N N 0.777 119.587 118.700 0.184 0.000 2.159 385 N HA 0.415 5.163 4.740 0.014 0.000 0.217 385 N C -0.840 174.729 175.510 0.099 0.000 1.223 385 N CA 0.022 53.122 53.050 0.083 0.000 0.896 385 N CB 0.744 39.344 38.487 0.188 0.000 1.064 385 N HN 0.467 nan 8.380 nan 0.000 0.518 386 A N -0.445 122.500 122.820 0.208 0.000 2.574 386 A HA 0.734 5.062 4.320 0.014 0.000 0.297 386 A C -1.778 176.037 177.584 0.385 0.000 1.062 386 A CA -0.694 51.529 52.037 0.311 0.000 0.686 386 A CB 1.876 21.054 19.000 0.297 0.000 1.285 386 A HN 0.143 nan 8.150 nan 0.000 0.403 387 V N 1.521 121.715 119.914 0.467 0.000 2.841 387 V HA 0.809 4.937 4.120 0.014 0.000 0.310 387 V C -0.579 175.682 176.094 0.278 0.000 1.090 387 V CA -0.727 61.810 62.300 0.394 0.000 0.930 387 V CB 1.934 33.910 31.823 0.255 0.000 1.014 387 V HN 1.110 nan 8.190 nan 0.000 0.425 388 R N 4.809 125.309 120.500 -0.000 0.000 2.387 388 R HA 0.455 4.803 4.340 0.014 0.000 0.314 388 R C -0.703 175.456 176.300 -0.234 0.000 0.958 388 R CA -0.483 55.426 56.100 -0.318 0.000 0.846 388 R CB 1.176 31.029 30.300 -0.745 0.000 1.147 388 R HN 0.779 nan 8.270 nan 0.000 0.447 389 C N 4.450 123.638 119.300 -0.186 0.000 3.585 389 C HA 0.086 4.554 4.460 0.014 0.000 0.575 389 C C 0.558 175.264 174.990 -0.473 0.000 1.068 389 C CA -0.303 58.554 59.018 -0.267 0.000 1.113 389 C CB -2.226 25.475 27.740 -0.065 0.000 1.381 389 C HN 0.716 nan 8.230 nan 0.000 0.635 390 S N 1.277 116.578 115.700 -0.665 0.000 2.481 390 S HA 0.146 4.624 4.470 0.014 0.000 0.282 390 S C -0.099 173.587 174.600 -1.524 0.000 1.243 390 S CA 0.176 57.701 58.200 -1.125 0.000 1.078 390 S CB 0.128 62.641 63.200 -1.146 0.000 0.916 390 S HN 0.717 nan 8.310 nan 0.000 0.495 391 H N 3.865 122.323 119.070 -1.021 0.000 2.439 391 H HA 0.341 4.905 4.556 0.013 0.000 0.230 391 H C -1.078 174.098 175.328 -0.253 0.000 1.420 391 H CA -0.345 55.476 56.048 -0.378 0.000 1.305 391 H CB -0.202 29.554 29.762 -0.010 0.000 1.667 391 H HN 0.895 nan 8.280 nan 0.000 0.515 392 Y N -2.920 117.479 120.300 0.164 0.000 2.841 392 Y HA 0.347 4.905 4.550 0.014 0.000 0.373 392 Y C -3.378 172.627 175.900 0.174 0.000 1.170 392 Y CA -2.929 55.279 58.100 0.179 0.000 1.196 392 Y CB -0.056 38.515 38.460 0.186 0.000 1.433 392 Y HN -0.077 nan 8.280 nan 0.000 0.479 393 P HA 0.170 nan 4.420 nan 0.000 0.268 393 P C -0.617 176.975 177.300 0.486 0.000 1.204 393 P CA 0.183 63.542 63.100 0.432 0.000 0.768 393 P CB 0.552 32.438 31.700 0.310 0.000 0.842 394 N N 0.637 119.634 118.700 0.495 0.000 2.458 394 N HA 0.087 4.835 4.740 0.014 0.000 0.271 394 N C 0.121 175.885 175.510 0.424 0.000 1.210 394 N CA -0.590 52.672 53.050 0.353 0.000 0.978 394 N CB 0.381 38.875 38.487 0.011 0.000 1.206 394 N HN 0.601 nan 8.380 nan 0.000 0.536 395 H N 2.474 121.659 119.070 0.191 0.000 3.064 395 H HA -0.016 4.548 4.556 0.013 0.000 0.329 395 H C -1.552 173.954 175.328 0.296 0.000 1.020 395 H CA -0.571 55.575 56.048 0.163 0.000 1.402 395 H CB 1.013 30.838 29.762 0.105 0.000 1.379 395 H HN 0.440 nan 8.280 nan 0.000 0.594 396 P HA -0.200 nan 4.420 nan 0.000 0.218 396 P C 1.702 179.298 177.300 0.494 0.000 1.146 396 P CA 0.637 63.952 63.100 0.358 0.000 0.813 396 P CB 0.237 31.997 31.700 0.100 0.000 0.778 397 L N -1.130 120.485 121.223 0.654 0.000 2.291 397 L HA 0.002 4.350 4.340 0.014 0.000 0.214 397 L C 2.380 179.451 176.870 0.335 0.000 1.120 397 L CA 1.147 56.255 54.840 0.447 0.000 0.799 397 L CB -1.463 40.848 42.059 0.420 0.000 0.925 397 L HN 0.013 nan 8.230 nan 0.000 0.446 398 W N -0.441 120.923 121.300 0.107 0.000 2.318 398 W HA -0.343 4.325 4.660 0.013 0.000 0.313 398 W C 2.032 178.432 176.519 -0.199 0.000 1.221 398 W CA 1.922 59.190 57.345 -0.128 0.000 1.266 398 W CB -0.328 28.939 29.460 -0.320 0.000 1.150 398 W HN 0.275 nan 8.180 nan 0.000 0.496 399 Y N 0.593 120.839 120.300 -0.089 0.000 2.224 399 Y HA -0.204 4.354 4.550 0.013 0.000 0.289 399 Y C 2.859 178.521 175.900 -0.395 0.000 1.146 399 Y CA 2.059 59.889 58.100 -0.450 0.000 1.182 399 Y CB -1.374 36.532 38.460 -0.922 0.000 0.983 399 Y HN -0.224 nan 8.280 nan 0.000 0.524 400 T N 0.659 115.211 114.554 -0.004 0.000 2.746 400 T HA -0.134 4.224 4.350 0.014 0.000 0.267 400 T C 1.982 176.718 174.700 0.061 0.000 1.039 400 T CA 1.346 63.521 62.100 0.125 0.000 1.142 400 T CB -0.512 68.490 68.868 0.223 0.000 0.866 400 T HN 0.231 nan 8.240 nan 0.000 0.444 401 L N 0.265 121.491 121.223 0.005 0.000 2.093 401 L HA -0.085 4.264 4.340 0.014 0.000 0.208 401 L C 2.855 179.709 176.870 -0.027 0.000 1.085 401 L CA 0.836 55.701 54.840 0.042 0.000 0.755 401 L CB -0.728 41.307 42.059 -0.039 0.000 0.904 401 L HN 0.367 nan 8.230 nan 0.000 0.435 402 C N -0.141 118.970 119.300 -0.315 0.000 2.425 402 C HA -0.143 4.325 4.460 0.014 0.000 0.277 402 C C 2.424 177.454 174.990 0.067 0.000 1.280 402 C CA 0.477 59.340 59.018 -0.259 0.000 1.744 402 C CB -0.770 26.699 27.740 -0.453 0.000 1.989 402 C HN 0.536 nan 8.230 nan 0.000 0.491 403 D N 0.384 120.833 120.400 0.081 0.000 2.117 403 D HA -0.095 4.553 4.640 0.014 0.000 0.197 403 D C 2.415 178.918 176.300 0.339 0.000 0.987 403 D CA 1.184 55.311 54.000 0.211 0.000 0.829 403 D CB -0.316 40.568 40.800 0.140 0.000 0.961 403 D HN 0.515 nan 8.370 nan 0.000 0.460 404 R N -1.022 119.570 120.500 0.154 0.000 2.080 404 R HA -0.002 4.346 4.340 0.014 0.000 0.222 404 R C 2.107 178.358 176.300 -0.081 0.000 1.107 404 R CA 0.638 56.754 56.100 0.026 0.000 0.980 404 R CB -0.143 30.095 30.300 -0.103 0.000 0.879 404 R HN 0.280 nan 8.270 nan 0.000 0.439 405 Y N -0.336 119.978 120.300 0.022 0.000 2.448 405 Y HA 0.184 4.742 4.550 0.013 0.000 0.289 405 Y C 0.989 176.828 175.900 -0.101 0.000 1.114 405 Y CA 0.738 58.826 58.100 -0.020 0.000 1.235 405 Y CB 0.704 39.115 38.460 -0.081 0.000 1.045 405 Y HN 0.231 nan 8.280 nan 0.000 0.554 406 G N 1.195 110.041 108.800 0.077 0.000 2.894 406 G HA2 -0.155 3.813 3.960 0.014 0.000 0.263 406 G HA3 -0.155 3.813 3.960 0.014 0.000 0.263 406 G C -1.140 173.607 174.900 -0.254 0.000 1.013 406 G CA -0.582 44.432 45.100 -0.143 0.000 1.226 406 G HN 0.161 nan 8.290 nan 0.000 0.563 407 L N 1.099 122.245 121.223 -0.128 0.000 2.431 407 L HA 0.506 4.854 4.340 0.014 0.000 0.266 407 L C 0.187 177.045 176.870 -0.021 0.000 0.978 407 L CA -1.373 53.351 54.840 -0.194 0.000 0.822 407 L CB 1.862 43.828 42.059 -0.155 0.000 1.310 407 L HN 0.435 nan 8.230 nan 0.000 0.409 408 Y N 1.932 122.365 120.300 0.222 0.000 2.425 408 Y HA 0.295 4.855 4.550 0.015 0.000 0.331 408 Y C 0.272 176.308 175.900 0.226 0.000 1.157 408 Y CA -0.500 57.771 58.100 0.286 0.000 1.372 408 Y CB 0.933 39.535 38.460 0.236 0.000 1.253 408 Y HN 0.169 nan 8.280 nan 0.000 0.536 409 V N 4.113 124.227 119.914 0.333 0.000 2.680 409 V HA 0.323 4.451 4.120 0.014 0.000 0.309 409 V C -0.596 175.592 176.094 0.158 0.000 1.052 409 V CA -1.048 61.386 62.300 0.224 0.000 0.908 409 V CB 1.986 33.899 31.823 0.149 0.000 1.001 409 V HN 0.452 nan 8.190 nan 0.000 0.431 410 V N 3.088 123.069 119.914 0.112 0.000 2.318 410 V HA 0.317 4.445 4.120 0.014 0.000 0.271 410 V C -0.324 175.817 176.094 0.080 0.000 1.030 410 V CA -0.338 61.978 62.300 0.028 0.000 0.844 410 V CB 1.349 33.090 31.823 -0.137 0.000 1.015 410 V HN 0.882 nan 8.190 nan 0.000 0.460 411 D N 4.235 124.721 120.400 0.142 0.000 2.280 411 D HA 0.279 4.927 4.640 0.014 0.000 0.243 411 D C -0.193 176.310 176.300 0.339 0.000 1.129 411 D CA -0.083 54.100 54.000 0.305 0.000 0.848 411 D CB 1.273 42.303 40.800 0.383 0.000 1.107 411 D HN 0.674 nan 8.370 nan 0.000 0.471 412 E N 1.992 122.350 120.200 0.264 0.000 2.187 412 E HA 0.615 4.973 4.350 0.014 0.000 0.268 412 E C -0.935 175.808 176.600 0.239 0.000 0.896 412 E CA -1.039 55.502 56.400 0.234 0.000 0.766 412 E CB 1.312 31.102 29.700 0.149 0.000 1.142 412 E HN 0.471 nan 8.360 nan 0.000 0.408 413 A N 3.845 126.798 122.820 0.222 0.000 2.445 413 A HA 0.062 4.391 4.320 0.014 0.000 0.242 413 A C 0.321 178.033 177.584 0.214 0.000 1.075 413 A CA -0.254 51.894 52.037 0.183 0.000 0.777 413 A CB 0.161 19.231 19.000 0.117 0.000 1.013 413 A HN 0.722 nan 8.150 nan 0.000 0.493 414 N N 1.088 119.920 118.700 0.220 0.000 2.971 414 N HA 0.253 5.001 4.740 0.014 0.000 0.294 414 N C -1.041 174.596 175.510 0.213 0.000 1.210 414 N CA 0.234 53.446 53.050 0.271 0.000 1.157 414 N CB -0.856 37.794 38.487 0.273 0.000 1.450 414 N HN 0.467 nan 8.380 nan 0.000 0.527 415 I N 0.871 121.563 120.570 0.203 0.000 2.497 415 I HA 0.271 4.449 4.170 0.014 0.000 0.284 415 I C -0.598 175.620 176.117 0.168 0.000 1.060 415 I CA -0.606 60.794 61.300 0.166 0.000 1.071 415 I CB 1.711 39.785 38.000 0.123 0.000 1.216 415 I HN 0.241 nan 8.210 nan 0.000 0.442 416 E N 4.275 124.562 120.200 0.145 0.000 2.294 416 E HA 0.361 4.719 4.350 0.014 0.000 0.272 416 E C -0.502 176.133 176.600 0.058 0.000 0.896 416 E CA -0.453 55.999 56.400 0.087 0.000 0.802 416 E CB 1.584 31.312 29.700 0.046 0.000 1.267 416 E HN 0.603 nan 8.360 nan 0.000 0.406 417 T N 0.792 115.371 114.554 0.041 0.000 3.355 417 T HA 0.196 4.554 4.350 0.014 0.000 0.276 417 T C 0.810 175.491 174.700 -0.032 0.000 1.003 417 T CA -0.288 61.849 62.100 0.062 0.000 0.943 417 T CB -0.413 68.493 68.868 0.063 0.000 1.158 417 T HN 0.542 nan 8.240 nan 0.000 0.513 418 N N 1.176 119.780 118.700 -0.159 0.000 2.091 418 N HA -0.124 4.624 4.740 0.014 0.000 0.193 418 N C 2.085 177.464 175.510 -0.219 0.000 1.021 418 N CA 1.480 54.406 53.050 -0.207 0.000 0.862 418 N CB -0.361 37.960 38.487 -0.276 0.000 1.018 418 N HN 0.611 nan 8.380 nan 0.000 0.429 419 G N -0.036 108.542 108.800 -0.369 0.000 2.679 419 G HA2 -0.035 3.933 3.960 0.014 0.000 0.212 419 G HA3 -0.035 3.933 3.960 0.014 0.000 0.212 419 G C 0.562 175.579 174.900 0.195 0.000 1.137 419 G CA 0.027 45.017 45.100 -0.184 0.000 0.787 419 G HN 0.141 nan 8.290 nan 0.000 0.534 420 M N 0.183 119.927 119.600 0.241 0.000 2.157 420 M HA 0.339 4.827 4.480 0.014 0.000 0.304 420 M C -0.308 176.011 176.300 0.032 0.000 1.171 420 M CA -0.277 55.105 55.300 0.138 0.000 1.157 420 M CB 1.294 33.927 32.600 0.055 0.000 1.403 420 M HN -0.203 nan 8.290 nan 0.000 0.473 421 V N 3.154 123.069 119.914 0.003 0.000 2.482 421 V HA 0.359 4.487 4.120 0.014 0.000 0.295 421 V C -1.984 174.095 176.094 -0.025 0.000 1.026 421 V CA -1.322 60.966 62.300 -0.020 0.000 0.856 421 V CB 1.908 33.717 31.823 -0.023 0.000 1.001 421 V HN 0.735 nan 8.190 nan 0.000 0.424 422 P HA 0.210 nan 4.420 nan 0.000 0.274 422 P C 0.979 178.267 177.300 -0.019 0.000 1.260 422 P CA -0.424 62.661 63.100 -0.024 0.000 0.793 422 P CB 0.942 32.633 31.700 -0.015 0.000 1.048 423 M N 0.530 120.120 119.600 -0.018 0.000 2.279 423 M HA -0.152 4.336 4.480 0.014 0.000 0.264 423 M C 1.198 177.510 176.300 0.020 0.000 1.062 423 M CA 1.630 56.926 55.300 -0.006 0.000 1.099 423 M CB -0.455 32.135 32.600 -0.017 0.000 1.394 423 M HN 0.364 nan 8.290 nan 0.000 0.426 424 N N 0.089 118.806 118.700 0.028 0.000 2.322 424 N HA -0.081 4.667 4.740 0.014 0.000 0.216 424 N C 1.107 176.599 175.510 -0.029 0.000 1.144 424 N CA 0.148 53.219 53.050 0.035 0.000 0.830 424 N CB -0.710 37.819 38.487 0.069 0.000 1.034 424 N HN 0.386 nan 8.380 nan 0.000 0.484 425 R N 0.433 120.900 120.500 -0.056 0.000 2.091 425 R HA -0.011 4.337 4.340 0.014 0.000 0.238 425 R C 1.461 177.666 176.300 -0.158 0.000 1.136 425 R CA 1.286 57.332 56.100 -0.090 0.000 0.959 425 R CB -0.044 30.204 30.300 -0.087 0.000 0.856 425 R HN 0.283 nan 8.270 nan 0.000 0.437 426 L N -0.334 120.730 121.223 -0.265 0.000 2.127 426 L HA -0.018 4.330 4.340 0.014 0.000 0.203 426 L C 2.584 179.314 176.870 -0.233 0.000 1.080 426 L CA 1.397 55.947 54.840 -0.483 0.000 0.768 426 L CB -0.735 40.768 42.059 -0.927 0.000 0.924 426 L HN 0.366 nan 8.230 nan 0.000 0.444 427 T N -4.073 110.375 114.554 -0.177 0.000 3.007 427 T HA -0.183 4.175 4.350 0.014 0.000 0.270 427 T C 1.282 175.889 174.700 -0.154 0.000 1.107 427 T CA 1.371 63.355 62.100 -0.192 0.000 1.118 427 T CB -0.262 68.458 68.868 -0.246 0.000 0.889 427 T HN 0.132 nan 8.240 nan 0.000 0.506 428 D N 0.913 121.261 120.400 -0.087 0.000 2.349 428 D HA 0.106 4.754 4.640 0.014 0.000 0.214 428 D C -0.210 176.073 176.300 -0.028 0.000 1.063 428 D CA -0.151 53.810 54.000 -0.065 0.000 0.847 428 D CB -0.066 40.706 40.800 -0.046 0.000 0.933 428 D HN 0.308 nan 8.370 nan 0.000 0.513 429 D N -0.178 120.224 120.400 0.004 0.000 2.359 429 D HA 0.124 4.772 4.640 0.014 0.000 0.230 429 D C -1.704 174.655 176.300 0.099 0.000 1.118 429 D CA -2.241 51.804 54.000 0.074 0.000 0.844 429 D CB 1.934 42.831 40.800 0.161 0.000 1.059 429 D HN -0.033 nan 8.370 nan 0.000 0.493 430 P HA -0.120 nan 4.420 nan 0.000 0.221 430 P C 1.088 178.384 177.300 -0.007 0.000 1.145 430 P CA 0.720 63.826 63.100 0.009 0.000 0.795 430 P CB 0.296 31.991 31.700 -0.008 0.000 0.775 431 R N -1.585 118.914 120.500 -0.001 0.000 2.189 431 R HA -0.083 4.265 4.340 0.014 0.000 0.223 431 R C 1.575 177.706 176.300 -0.281 0.000 1.092 431 R CA 1.078 57.097 56.100 -0.135 0.000 0.989 431 R CB -0.804 29.404 30.300 -0.154 0.000 0.876 431 R HN 0.373 nan 8.270 nan 0.000 0.457 432 W N 0.229 121.475 121.300 -0.091 0.000 3.278 432 W HA 0.123 4.791 4.660 0.013 0.000 0.308 432 W C 1.645 178.105 176.519 -0.098 0.000 1.253 432 W CA -0.548 56.743 57.345 -0.090 0.000 1.759 432 W CB -0.132 29.275 29.460 -0.089 0.000 1.093 432 W HN -0.019 nan 8.180 nan 0.000 0.648 433 L N 2.375 123.624 121.223 0.043 0.000 2.042 433 L HA -0.077 4.271 4.340 0.014 0.000 0.210 433 L C -0.604 176.232 176.870 -0.057 0.000 1.076 433 L CA 2.252 57.080 54.840 -0.020 0.000 0.749 433 L CB -1.729 40.306 42.059 -0.040 0.000 0.893 433 L HN -0.226 nan 8.230 nan 0.000 0.432 434 P HA -0.152 nan 4.420 nan 0.000 0.215 434 P C 1.597 178.845 177.300 -0.087 0.000 1.157 434 P CA 2.240 65.279 63.100 -0.102 0.000 0.868 434 P CB -0.273 31.358 31.700 -0.115 0.000 0.788 435 A N -1.067 121.717 122.820 -0.060 0.000 1.933 435 A HA -0.169 4.159 4.320 0.014 0.000 0.218 435 A C 2.309 179.906 177.584 0.022 0.000 1.175 435 A CA 1.839 53.875 52.037 -0.002 0.000 0.628 435 A CB -1.457 17.588 19.000 0.074 0.000 0.814 435 A HN 0.100 nan 8.150 nan 0.000 0.444 436 M N -0.101 119.520 119.600 0.034 0.000 2.099 436 M HA -0.156 4.332 4.480 0.014 0.000 0.262 436 M C 2.612 178.859 176.300 -0.089 0.000 1.067 436 M CA 1.821 57.117 55.300 -0.007 0.000 1.124 436 M CB -0.323 32.253 32.600 -0.039 0.000 1.353 436 M HN 0.656 nan 8.290 nan 0.000 0.410 437 S N 0.574 116.194 115.700 -0.132 0.000 2.387 437 S HA -0.211 4.267 4.470 0.014 0.000 0.230 437 S C 1.538 175.970 174.600 -0.279 0.000 1.035 437 S CA 1.726 59.782 58.200 -0.240 0.000 1.014 437 S CB -0.602 62.444 63.200 -0.257 0.000 0.836 437 S HN 0.561 nan 8.310 nan 0.000 0.466 438 E N 0.673 120.759 120.200 -0.190 0.000 2.274 438 E HA -0.024 4.334 4.350 0.014 0.000 0.194 438 E C 2.317 178.824 176.600 -0.155 0.000 0.996 438 E CA 0.591 56.877 56.400 -0.190 0.000 0.840 438 E CB -0.149 29.477 29.700 -0.125 0.000 0.772 438 E HN 0.576 nan 8.360 nan 0.000 0.491 439 R N 0.338 120.779 120.500 -0.098 0.000 2.189 439 R HA -0.039 4.309 4.340 0.014 0.000 0.218 439 R C 2.150 178.408 176.300 -0.070 0.000 1.074 439 R CA 0.461 56.535 56.100 -0.043 0.000 0.991 439 R CB 0.132 30.448 30.300 0.026 0.000 0.883 439 R HN 0.003 nan 8.270 nan 0.000 0.457 440 V N -0.060 119.764 119.914 -0.150 0.000 2.374 440 V HA -0.165 3.963 4.120 0.014 0.000 0.241 440 V C 2.408 178.319 176.094 -0.306 0.000 1.034 440 V CA 2.066 64.255 62.300 -0.185 0.000 1.037 440 V CB -0.184 31.520 31.823 -0.197 0.000 0.682 440 V HN 0.491 nan 8.190 nan 0.000 0.463 441 T N -0.642 113.602 114.554 -0.518 0.000 2.788 441 T HA -0.250 4.108 4.350 0.014 0.000 0.268 441 T C 1.915 176.445 174.700 -0.283 0.000 1.044 441 T CA 1.475 63.175 62.100 -0.668 0.000 1.139 441 T CB -0.401 67.882 68.868 -0.974 0.000 0.867 441 T HN 0.399 nan 8.240 nan 0.000 0.454 442 R N 0.099 120.463 120.500 -0.226 0.000 2.189 442 R HA 0.272 4.621 4.340 0.014 0.000 0.218 442 R C 2.596 178.816 176.300 -0.133 0.000 1.074 442 R CA 1.096 57.100 56.100 -0.159 0.000 0.991 442 R CB -0.380 29.835 30.300 -0.142 0.000 0.883 442 R HN 0.481 nan 8.270 nan 0.000 0.457 443 M N 0.512 120.040 119.600 -0.119 0.000 2.123 443 M HA -0.114 4.374 4.480 0.014 0.000 0.263 443 M C 1.822 178.050 176.300 -0.121 0.000 1.069 443 M CA 1.544 56.807 55.300 -0.063 0.000 1.133 443 M CB 0.145 32.748 32.600 0.006 0.000 1.356 443 M HN -0.038 nan 8.290 nan 0.000 0.415 444 V N 1.384 121.123 119.914 -0.292 0.000 2.332 444 V HA -0.319 3.809 4.120 0.014 0.000 0.248 444 V C 2.290 178.276 176.094 -0.180 0.000 1.055 444 V CA 2.137 64.154 62.300 -0.472 0.000 1.038 444 V CB -1.068 30.443 31.823 -0.519 0.000 0.651 444 V HN 0.598 nan 8.190 nan 0.000 0.450 445 Q N -0.590 119.140 119.800 -0.118 0.000 2.181 445 Q HA -0.256 4.092 4.340 0.014 0.000 0.205 445 Q C 2.464 178.375 176.000 -0.149 0.000 0.980 445 Q CA 1.777 57.514 55.803 -0.109 0.000 0.862 445 Q CB -0.240 28.449 28.738 -0.082 0.000 0.905 445 Q HN 0.566 nan 8.270 nan 0.000 0.429 446 R N 0.367 120.774 120.500 -0.154 0.000 2.080 446 R HA -0.091 4.257 4.340 0.014 0.000 0.222 446 R C 0.613 176.835 176.300 -0.131 0.000 1.107 446 R CA 1.333 57.319 56.100 -0.190 0.000 0.980 446 R CB 0.389 30.577 30.300 -0.187 0.000 0.879 446 R HN 0.154 nan 8.270 nan 0.000 0.439 447 D N -0.067 120.321 120.400 -0.020 0.000 2.369 447 D HA -0.012 4.636 4.640 0.014 0.000 0.211 447 D C 1.370 177.774 176.300 0.173 0.000 1.077 447 D CA 0.131 54.171 54.000 0.066 0.000 0.842 447 D CB 0.195 40.989 40.800 -0.010 0.000 0.947 447 D HN 0.372 nan 8.370 nan 0.000 0.509 448 R N 0.718 121.326 120.500 0.180 0.000 2.249 448 R HA -0.030 4.319 4.340 0.014 0.000 0.230 448 R C 0.714 177.025 176.300 0.019 0.000 1.121 448 R CA 0.936 57.158 56.100 0.202 0.000 0.997 448 R CB -0.312 30.050 30.300 0.104 0.000 0.867 448 R HN -0.062 nan 8.270 nan 0.000 0.465 449 N N 0.142 118.783 118.700 -0.099 0.000 2.280 449 N HA 0.007 4.755 4.740 0.014 0.000 0.192 449 N C -0.520 174.866 175.510 -0.207 0.000 1.109 449 N CA 0.223 53.185 53.050 -0.146 0.000 0.855 449 N CB 0.115 38.514 38.487 -0.148 0.000 0.974 449 N HN 0.268 nan 8.380 nan 0.000 0.482 450 H N 1.508 120.530 119.070 -0.079 0.000 2.800 450 H HA 0.102 4.665 4.556 0.013 0.000 0.291 450 H C -1.184 173.999 175.328 -0.241 0.000 1.076 450 H CA -1.259 54.723 56.048 -0.110 0.000 1.452 450 H CB 1.408 31.142 29.762 -0.047 0.000 1.461 450 H HN 0.078 nan 8.280 nan 0.000 0.488 451 P HA -0.142 nan 4.420 nan 0.000 0.220 451 P C 1.365 178.170 177.300 -0.825 0.000 1.148 451 P CA 0.990 63.729 63.100 -0.602 0.000 0.803 451 P CB 0.309 31.426 31.700 -0.972 0.000 0.782 452 S N -0.676 114.653 115.700 -0.620 0.000 2.419 452 S HA -0.044 4.434 4.470 0.014 0.000 0.233 452 S C 1.155 175.732 174.600 -0.039 0.000 1.016 452 S CA 0.367 58.378 58.200 -0.314 0.000 0.974 452 S CB -1.497 61.690 63.200 -0.022 0.000 0.786 452 S HN -0.057 nan 8.310 nan 0.000 0.492 453 V N 3.837 123.701 119.914 -0.084 0.000 2.415 453 V HA 0.201 4.329 4.120 0.014 0.000 0.267 453 V C 1.175 177.145 176.094 -0.206 0.000 1.042 453 V CA -0.002 62.221 62.300 -0.127 0.000 1.000 453 V CB 0.187 31.850 31.823 -0.267 0.000 1.015 453 V HN 0.625 nan 8.190 nan 0.000 0.478 454 I N 2.805 123.316 120.570 -0.098 0.000 3.939 454 I HA 0.483 4.661 4.170 0.014 0.000 0.313 454 I C 0.443 176.460 176.117 -0.167 0.000 1.274 454 I CA 0.657 61.906 61.300 -0.085 0.000 1.301 454 I CB 0.469 38.502 38.000 0.055 0.000 1.105 454 I HN 0.325 nan 8.210 nan 0.000 0.427 455 I N -0.073 120.375 120.570 -0.202 0.000 2.722 455 I HA 0.361 4.539 4.170 0.014 0.000 0.295 455 I C -1.548 174.469 176.117 -0.166 0.000 1.161 455 I CA -0.398 60.816 61.300 -0.143 0.000 1.032 455 I CB 2.131 40.144 38.000 0.023 0.000 1.244 455 I HN 0.021 nan 8.210 nan 0.000 0.421 456 W N 3.746 125.106 121.300 0.100 0.000 2.496 456 W HA 0.645 5.312 4.660 0.011 0.000 0.327 456 W C 0.343 176.937 176.519 0.125 0.000 1.086 456 W CA -0.627 56.783 57.345 0.108 0.000 1.222 456 W CB 1.745 31.264 29.460 0.098 0.000 1.304 456 W HN 0.319 nan 8.180 nan 0.000 0.547 457 S N 2.699 118.645 115.700 0.410 0.000 2.521 457 S HA 0.401 4.879 4.470 0.014 0.000 0.295 457 S C 0.189 174.964 174.600 0.291 0.000 1.098 457 S CA -0.718 57.670 58.200 0.313 0.000 0.999 457 S CB 0.902 64.241 63.200 0.231 0.000 1.034 457 S HN 0.585 nan 8.310 nan 0.000 0.483 458 L N 3.920 125.306 121.223 0.272 0.000 2.610 458 L HA 0.334 4.682 4.340 0.014 0.000 0.232 458 L C 1.407 178.346 176.870 0.116 0.000 1.149 458 L CA 0.560 55.478 54.840 0.130 0.000 0.872 458 L CB -1.159 40.870 42.059 -0.050 0.000 0.992 458 L HN 1.013 nan 8.230 nan 0.000 0.447 459 G N 0.052 109.007 108.800 0.258 0.000 2.280 459 G HA2 -0.134 3.834 3.960 0.014 0.000 0.277 459 G HA3 -0.134 3.834 3.960 0.014 0.000 0.277 459 G C -1.605 173.514 174.900 0.366 0.000 1.288 459 G CA -0.551 44.710 45.100 0.269 0.000 1.075 459 G HN 0.184 nan 8.290 nan 0.000 0.480 460 N N 0.016 118.877 118.700 0.268 0.000 2.331 460 N HA 0.476 5.224 4.740 0.014 0.000 0.280 460 N C -0.404 175.118 175.510 0.020 0.000 1.155 460 N CA 0.069 53.148 53.050 0.048 0.000 0.822 460 N CB 1.591 39.831 38.487 -0.411 0.000 1.619 460 N HN 0.885 nan 8.380 nan 0.000 0.476 461 E N 0.655 120.805 120.200 -0.083 0.000 2.106 461 E HA -0.180 4.178 4.350 0.014 0.000 0.175 461 E C -0.842 175.774 176.600 0.026 0.000 1.448 461 E CA 0.810 57.159 56.400 -0.085 0.000 0.672 461 E CB -1.331 28.258 29.700 -0.186 0.000 1.057 461 E HN 0.444 nan 8.360 nan 0.000 0.321 462 S N 0.081 115.896 115.700 0.192 0.000 2.902 462 S HA 0.415 4.893 4.470 0.014 0.000 0.250 462 S C 0.692 175.475 174.600 0.305 0.000 1.046 462 S CA -0.262 58.082 58.200 0.240 0.000 1.069 462 S CB 1.376 64.754 63.200 0.296 0.000 0.967 462 S HN 0.839 nan 8.310 nan 0.000 0.530 463 G N 2.059 110.975 108.800 0.194 0.000 2.598 463 G HA2 -0.277 3.691 3.960 0.014 0.000 0.269 463 G HA3 -0.277 3.691 3.960 0.014 0.000 0.269 463 G C -0.477 174.638 174.900 0.359 0.000 1.289 463 G CA -0.060 45.153 45.100 0.188 0.000 0.926 463 G HN 0.669 nan 8.290 nan 0.000 0.567 464 H N 0.641 119.846 119.070 0.224 0.000 2.800 464 H HA 0.578 5.142 4.556 0.014 0.000 0.322 464 H C 0.355 175.871 175.328 0.314 0.000 0.979 464 H CA 0.021 56.250 56.048 0.301 0.000 1.277 464 H CB 0.585 30.452 29.762 0.175 0.000 1.484 464 H HN 1.027 nan 8.280 nan 0.000 0.512 465 G N 1.551 110.394 108.800 0.071 0.000 2.685 465 G HA2 0.449 4.417 3.960 0.014 0.000 0.298 465 G HA3 0.449 4.417 3.960 0.014 0.000 0.298 465 G C 0.623 175.351 174.900 -0.287 0.000 1.277 465 G CA -0.162 44.825 45.100 -0.189 0.000 0.986 465 G HN 0.664 nan 8.290 nan 0.000 0.487 466 A N 0.241 122.949 122.820 -0.188 0.000 1.986 466 A HA -0.130 4.198 4.320 0.014 0.000 0.220 466 A C 2.152 179.696 177.584 -0.067 0.000 1.171 466 A CA 2.097 54.074 52.037 -0.099 0.000 0.640 466 A CB -0.502 18.470 19.000 -0.047 0.000 0.811 466 A HN 0.537 nan 8.150 nan 0.000 0.451 467 N N -0.431 118.192 118.700 -0.130 0.000 2.223 467 N HA -0.142 4.606 4.740 0.014 0.000 0.185 467 N C 1.406 176.832 175.510 -0.140 0.000 1.016 467 N CA 1.708 54.671 53.050 -0.145 0.000 0.863 467 N CB -0.687 37.679 38.487 -0.202 0.000 0.983 467 N HN 0.790 nan 8.380 nan 0.000 0.429 468 H N 0.195 119.224 119.070 -0.068 0.000 2.389 468 H HA -0.021 4.543 4.556 0.013 0.000 0.299 468 H C 1.222 176.605 175.328 0.092 0.000 1.081 468 H CA 1.213 57.232 56.048 -0.048 0.000 1.345 468 H CB 0.183 29.916 29.762 -0.048 0.000 1.393 468 H HN 0.175 nan 8.280 nan 0.000 0.520 469 D N 0.228 120.767 120.400 0.232 0.000 2.117 469 D HA -0.113 4.535 4.640 0.014 0.000 0.197 469 D C 2.286 178.732 176.300 0.244 0.000 0.987 469 D CA 1.139 55.288 54.000 0.248 0.000 0.829 469 D CB -0.352 40.560 40.800 0.187 0.000 0.961 469 D HN 0.423 nan 8.370 nan 0.000 0.460 470 A N 0.759 123.669 122.820 0.150 0.000 1.902 470 A HA -0.111 4.217 4.320 0.014 0.000 0.217 470 A C 2.407 180.093 177.584 0.170 0.000 1.181 470 A CA 0.895 53.013 52.037 0.136 0.000 0.623 470 A CB -0.762 18.275 19.000 0.061 0.000 0.818 470 A HN 0.197 nan 8.150 nan 0.000 0.443 471 L N -1.962 119.342 121.223 0.135 0.000 2.141 471 L HA -0.163 4.185 4.340 0.014 0.000 0.209 471 L C 2.577 179.579 176.870 0.219 0.000 1.094 471 L CA 1.589 56.508 54.840 0.131 0.000 0.763 471 L CB -0.658 41.410 42.059 0.015 0.000 0.908 471 L HN 0.637 nan 8.230 nan 0.000 0.437 472 Y N 1.227 121.612 120.300 0.143 0.000 2.097 472 Y HA -0.337 4.220 4.550 0.011 0.000 0.282 472 Y C 2.817 178.803 175.900 0.145 0.000 1.152 472 Y CA 1.865 60.055 58.100 0.150 0.000 1.136 472 Y CB -0.194 38.358 38.460 0.154 0.000 0.975 472 Y HN -0.038 nan 8.280 nan 0.000 0.498 473 R N -0.159 120.432 120.500 0.152 0.000 2.081 473 R HA -0.210 4.138 4.340 0.014 0.000 0.235 473 R C 2.088 178.389 176.300 0.002 0.000 1.131 473 R CA 1.990 58.117 56.100 0.046 0.000 0.960 473 R CB -1.454 28.962 30.300 0.193 0.000 0.856 473 R HN 0.655 nan 8.270 nan 0.000 0.436 474 W N 0.538 121.793 121.300 -0.075 0.000 2.335 474 W HA -0.168 4.501 4.660 0.014 0.000 0.311 474 W C 1.621 178.047 176.519 -0.156 0.000 1.213 474 W CA 2.080 59.367 57.345 -0.097 0.000 1.274 474 W CB -0.250 29.157 29.460 -0.087 0.000 1.148 474 W HN 0.102 nan 8.180 nan 0.000 0.498 475 I N 0.794 121.378 120.570 0.022 0.000 2.226 475 I HA -0.331 3.847 4.170 0.014 0.000 0.245 475 I C 2.387 178.317 176.117 -0.312 0.000 1.100 475 I CA 1.228 62.393 61.300 -0.225 0.000 1.374 475 I CB -0.693 37.230 38.000 -0.129 0.000 1.057 475 I HN -0.123 nan 8.210 nan 0.000 0.413 476 K N 0.586 120.801 120.400 -0.308 0.000 2.152 476 K HA -0.088 4.240 4.320 0.014 0.000 0.206 476 K C 2.260 178.729 176.600 -0.218 0.000 1.048 476 K CA 1.204 57.333 56.287 -0.264 0.000 0.933 476 K CB -0.466 31.839 32.500 -0.325 0.000 0.721 476 K HN 0.237 nan 8.250 nan 0.000 0.447 477 S N 0.813 116.348 115.700 -0.274 0.000 2.362 477 S HA -0.087 4.391 4.470 0.014 0.000 0.221 477 S C 2.163 176.554 174.600 -0.348 0.000 1.032 477 S CA 1.282 59.320 58.200 -0.270 0.000 0.973 477 S CB -0.221 62.804 63.200 -0.292 0.000 0.849 477 S HN 0.259 nan 8.310 nan 0.000 0.465 478 V N 0.027 119.586 119.914 -0.592 0.000 2.548 478 V HA 0.098 4.226 4.120 0.014 0.000 0.249 478 V C 0.475 176.333 176.094 -0.392 0.000 1.055 478 V CA 1.559 63.482 62.300 -0.627 0.000 1.065 478 V CB -0.401 30.726 31.823 -1.159 0.000 0.681 478 V HN 0.347 nan 8.190 nan 0.000 0.462 479 D N 0.358 120.582 120.400 -0.294 0.000 2.429 479 D HA 0.360 5.008 4.640 0.014 0.000 0.255 479 D C -2.334 173.959 176.300 -0.011 0.000 1.257 479 D CA -1.834 52.107 54.000 -0.099 0.000 0.890 479 D CB 1.489 42.324 40.800 0.059 0.000 1.267 479 D HN 0.168 nan 8.370 nan 0.000 0.521 480 P HA -0.031 nan 4.420 nan 0.000 0.239 480 P C 1.070 178.394 177.300 0.041 0.000 1.184 480 P CA 0.507 63.604 63.100 -0.004 0.000 0.760 480 P CB 0.070 31.761 31.700 -0.014 0.000 0.884 481 S N -1.724 114.013 115.700 0.060 0.000 2.562 481 S HA 0.109 4.587 4.470 0.014 0.000 0.221 481 S C 0.869 175.503 174.600 0.057 0.000 0.975 481 S CA -0.147 58.092 58.200 0.064 0.000 0.918 481 S CB -0.239 62.993 63.200 0.054 0.000 0.772 481 S HN 0.042 nan 8.310 nan 0.000 0.531 482 R N 1.189 121.736 120.500 0.079 0.000 2.628 482 R HA 0.536 4.884 4.340 0.014 0.000 0.288 482 R C -3.188 173.170 176.300 0.097 0.000 0.980 482 R CA -2.219 53.894 56.100 0.022 0.000 0.891 482 R CB 1.592 31.794 30.300 -0.164 0.000 1.188 482 R HN 0.136 nan 8.270 nan 0.000 0.450 483 P HA 0.036 nan 4.420 nan 0.000 0.269 483 P C -0.851 176.562 177.300 0.189 0.000 1.215 483 P CA -0.244 62.928 63.100 0.120 0.000 0.780 483 P CB 0.680 32.434 31.700 0.090 0.000 0.898 484 V N 2.801 122.860 119.914 0.242 0.000 2.513 484 V HA 0.427 4.555 4.120 0.014 0.000 0.299 484 V C 0.206 176.493 176.094 0.322 0.000 1.035 484 V CA -0.266 62.225 62.300 0.319 0.000 0.889 484 V CB 1.236 33.231 31.823 0.287 0.000 0.988 484 V HN 0.603 nan 8.190 nan 0.000 0.440 485 Q N 3.592 123.564 119.800 0.287 0.000 2.484 485 Q HA 0.810 5.158 4.340 0.014 0.000 0.285 485 Q C -1.835 174.339 176.000 0.291 0.000 1.097 485 Q CA -0.958 54.982 55.803 0.229 0.000 0.802 485 Q CB 2.953 31.771 28.738 0.135 0.000 1.444 485 Q HN 0.636 nan 8.270 nan 0.000 0.429 486 Y N 0.115 120.444 120.300 0.049 0.000 2.357 486 Y HA 0.149 4.706 4.550 0.012 0.000 0.319 486 Y C -0.477 175.390 175.900 -0.055 0.000 1.225 486 Y CA -0.736 57.363 58.100 -0.001 0.000 1.095 486 Y CB 2.025 40.474 38.460 -0.019 0.000 1.302 486 Y HN 0.953 nan 8.280 nan 0.000 0.429 487 E N 3.469 123.224 120.200 -0.742 0.000 2.230 487 E HA 0.116 4.474 4.350 0.014 0.000 0.192 487 E C 0.675 176.862 176.600 -0.688 0.000 0.987 487 E CA 0.810 56.870 56.400 -0.566 0.000 0.841 487 E CB 0.185 29.688 29.700 -0.329 0.000 0.783 487 E HN 0.888 nan 8.360 nan 0.000 0.481 488 G N -0.155 107.828 108.800 -1.362 0.000 2.474 488 G HA2 0.235 4.203 3.960 0.014 0.000 0.233 488 G HA3 0.235 4.203 3.960 0.014 0.000 0.233 488 G C 0.766 175.547 174.900 -0.199 0.000 1.278 488 G CA 0.308 45.026 45.100 -0.637 0.000 0.861 488 G HN 0.366 nan 8.290 nan 0.000 0.567 489 G N -0.473 108.312 108.800 -0.025 0.000 2.176 489 G HA2 0.243 4.211 3.960 0.014 0.000 0.252 489 G HA3 0.243 4.211 3.960 0.014 0.000 0.252 489 G C 1.244 176.159 174.900 0.025 0.000 1.024 489 G CA 0.958 46.100 45.100 0.070 0.000 0.755 489 G HN 2.617 nan 8.290 nan 0.000 0.507 490 G N -1.539 107.270 108.800 0.015 0.000 2.205 490 G HA2 0.414 4.382 3.960 0.014 0.000 0.180 490 G HA3 0.414 4.382 3.960 0.014 0.000 0.180 490 G C 1.156 176.181 174.900 0.208 0.000 1.004 490 G CA 1.284 46.448 45.100 0.107 0.000 0.670 490 G HN 2.344 nan 8.290 nan 0.000 0.496 491 A N -0.221 122.614 122.820 0.025 0.000 3.420 491 A HA -0.115 4.213 4.320 0.014 0.000 0.269 491 A C 1.068 178.615 177.584 -0.061 0.000 1.122 491 A CA 2.674 54.677 52.037 -0.058 0.000 1.023 491 A CB -1.752 17.219 19.000 -0.048 0.000 1.099 491 A HN 2.122 nan 8.150 nan 0.000 0.860 492 D N -1.281 119.154 120.400 0.058 0.000 2.785 492 D HA 0.310 4.958 4.640 0.014 0.000 0.324 492 D C 0.365 176.666 176.300 0.002 0.000 1.523 492 D CA 0.733 54.766 54.000 0.055 0.000 0.789 492 D CB -1.142 39.827 40.800 0.282 0.000 1.171 492 D HN 0.795 nan 8.370 nan 0.000 0.447 493 T N -2.408 112.082 114.554 -0.108 0.000 2.729 493 T HA 0.237 4.595 4.350 0.014 0.000 0.298 493 T C 1.550 176.118 174.700 -0.220 0.000 1.013 493 T CA 0.417 62.373 62.100 -0.240 0.000 0.957 493 T CB 0.877 69.358 68.868 -0.645 0.000 1.130 493 T HN 0.077 nan 8.240 nan 0.000 0.526 494 T N -2.662 111.747 114.554 -0.242 0.000 3.160 494 T HA 0.274 4.632 4.350 0.014 0.000 0.257 494 T C 1.480 175.951 174.700 -0.382 0.000 1.147 494 T CA 0.183 62.158 62.100 -0.208 0.000 1.064 494 T CB -0.477 68.346 68.868 -0.076 0.000 0.949 494 T HN 0.819 nan 8.240 nan 0.000 0.526 495 A N 0.479 123.115 122.820 -0.306 0.000 2.460 495 A HA 0.518 4.846 4.320 0.014 0.000 0.258 495 A C 0.821 178.274 177.584 -0.218 0.000 1.300 495 A CA -0.268 51.585 52.037 -0.307 0.000 0.913 495 A CB 0.032 19.122 19.000 0.151 0.000 1.031 495 A HN 0.446 nan 8.150 nan 0.000 0.512 496 T N -1.709 112.712 114.554 -0.222 0.000 2.933 496 T HA 0.389 4.747 4.350 0.014 0.000 0.305 496 T C -0.756 173.966 174.700 0.037 0.000 1.092 496 T CA -0.428 61.684 62.100 0.019 0.000 1.008 496 T CB 1.393 70.275 68.868 0.023 0.000 1.102 496 T HN 0.044 nan 8.240 nan 0.000 0.469 497 D N 2.489 122.984 120.400 0.159 0.000 2.350 497 D HA 0.308 4.956 4.640 0.014 0.000 0.213 497 D C 0.257 176.591 176.300 0.057 0.000 1.031 497 D CA 0.605 54.687 54.000 0.136 0.000 0.861 497 D CB 0.420 41.335 40.800 0.191 0.000 0.926 497 D HN 0.530 nan 8.370 nan 0.000 0.520 498 I N 0.933 121.520 120.570 0.029 0.000 2.582 498 I HA 0.258 4.436 4.170 0.014 0.000 0.292 498 I C -0.193 175.864 176.117 -0.101 0.000 1.066 498 I CA -0.888 60.394 61.300 -0.031 0.000 1.053 498 I CB 2.878 40.872 38.000 -0.010 0.000 1.241 498 I HN -0.349 nan 8.210 nan 0.000 0.421 499 I N 5.746 126.205 120.570 -0.184 0.000 2.494 499 I HA 0.030 4.208 4.170 0.014 0.000 0.289 499 I C 0.161 176.066 176.117 -0.352 0.000 1.106 499 I CA 0.077 61.166 61.300 -0.351 0.000 1.369 499 I CB 0.042 37.707 38.000 -0.558 0.000 1.410 499 I HN 0.674 nan 8.210 nan 0.000 0.523 500 C N 5.803 124.926 119.300 -0.295 0.000 3.276 500 C HA 0.473 4.941 4.460 0.014 0.000 0.226 500 C C -2.131 172.745 174.990 -0.191 0.000 1.502 500 C CA -2.319 56.579 59.018 -0.200 0.000 1.488 500 C CB -0.884 26.799 27.740 -0.096 0.000 2.014 500 C HN 0.415 nan 8.230 nan 0.000 0.492 501 P HA 0.290 nan 4.420 nan 0.000 0.272 501 P C -0.420 176.854 177.300 -0.044 0.000 1.240 501 P CA 0.293 63.325 63.100 -0.114 0.000 0.791 501 P CB 0.827 32.481 31.700 -0.077 0.000 0.978 502 M N 0.660 120.266 119.600 0.009 0.000 2.167 502 M HA 0.421 4.909 4.480 0.014 0.000 0.333 502 M C -0.827 175.512 176.300 0.067 0.000 1.030 502 M CA -0.613 54.611 55.300 -0.126 0.000 0.963 502 M CB 0.966 33.483 32.600 -0.139 0.000 1.589 502 M HN 0.331 nan 8.290 nan 0.000 0.431 503 Y N -0.076 120.403 120.300 0.298 0.000 4.490 503 Y HA -0.219 4.340 4.550 0.014 0.000 0.233 503 Y C 0.505 176.588 175.900 0.305 0.000 1.101 503 Y CA 0.478 58.758 58.100 0.299 0.000 2.010 503 Y CB -2.294 36.314 38.460 0.246 0.000 1.622 503 Y HN 0.975 nan 8.280 nan 0.000 0.675 504 A N 1.149 124.196 122.820 0.379 0.000 2.425 504 A HA 0.596 4.924 4.320 0.014 0.000 0.249 504 A C 0.730 178.536 177.584 0.369 0.000 1.084 504 A CA -0.456 51.803 52.037 0.371 0.000 0.781 504 A CB 0.417 19.686 19.000 0.448 0.000 1.019 504 A HN 0.409 nan 8.150 nan 0.000 0.490 505 R N 1.330 121.973 120.500 0.238 0.000 2.546 505 R HA 0.347 4.695 4.340 0.014 0.000 0.266 505 R C 0.993 177.253 176.300 -0.067 0.000 1.086 505 R CA -0.729 55.432 56.100 0.101 0.000 1.160 505 R CB 0.564 30.896 30.300 0.053 0.000 1.138 505 R HN 0.479 nan 8.270 nan 0.000 0.567 506 V N 0.585 120.299 119.914 -0.334 0.000 2.255 506 V HA -0.200 3.928 4.120 0.014 0.000 0.243 506 V C 1.029 177.009 176.094 -0.189 0.000 1.038 506 V CA 1.840 63.912 62.300 -0.379 0.000 1.008 506 V CB -0.263 31.197 31.823 -0.605 0.000 0.645 506 V HN 0.733 nan 8.190 nan 0.000 0.449 507 D N -1.248 119.070 120.400 -0.136 0.000 2.422 507 D HA 0.086 4.734 4.640 0.014 0.000 0.218 507 D C 0.989 177.271 176.300 -0.029 0.000 1.047 507 D CA 0.104 54.060 54.000 -0.074 0.000 0.885 507 D CB 0.511 41.271 40.800 -0.067 0.000 1.035 507 D HN 0.506 nan 8.370 nan 0.000 0.502 508 E N 1.962 122.147 120.200 -0.024 0.000 2.194 508 E HA 0.080 4.438 4.350 0.014 0.000 0.284 508 E C -0.744 175.854 176.600 -0.004 0.000 1.035 508 E CA -0.573 55.821 56.400 -0.010 0.000 0.836 508 E CB 0.772 30.466 29.700 -0.011 0.000 1.070 508 E HN -0.167 nan 8.360 nan 0.000 0.401 509 D N 3.851 124.254 120.400 0.005 0.000 2.339 509 D HA 0.102 4.750 4.640 0.014 0.000 0.245 509 D C -0.541 175.646 176.300 -0.187 0.000 1.115 509 D CA 0.265 54.261 54.000 -0.008 0.000 0.917 509 D CB 1.132 42.003 40.800 0.119 0.000 1.192 509 D HN 0.450 nan 8.370 nan 0.000 0.428 510 Q N 1.482 121.039 119.800 -0.404 0.000 2.771 510 Q HA 0.245 4.593 4.340 0.014 0.000 0.247 510 Q C -2.231 173.112 176.000 -1.094 0.000 0.986 510 Q CA -1.530 53.828 55.803 -0.743 0.000 0.713 510 Q CB 2.312 30.579 28.738 -0.784 0.000 1.241 510 Q HN 0.154 nan 8.270 nan 0.000 0.488 511 P HA 0.005 nan 4.420 nan 0.000 0.225 511 P C -0.657 176.319 177.300 -0.539 0.000 1.768 511 P CA -0.079 62.568 63.100 -0.755 0.000 0.943 511 P CB -0.601 30.869 31.700 -0.383 0.000 1.936 512 F N 2.668 122.427 119.950 -0.318 0.000 2.595 512 F HA 0.115 4.650 4.527 0.013 0.000 0.359 512 F C -0.937 174.748 175.800 -0.191 0.000 1.147 512 F CA -2.063 55.815 58.000 -0.204 0.000 1.341 512 F CB -0.520 38.379 39.000 -0.168 0.000 1.104 512 F HN 0.103 nan 8.300 nan 0.000 0.603 513 P HA 0.121 nan 4.420 nan 0.000 0.271 513 P C 0.259 177.572 177.300 0.022 0.000 1.216 513 P CA 0.840 63.955 63.100 0.024 0.000 0.776 513 P CB 1.375 33.089 31.700 0.023 0.000 0.881 514 A N 2.729 125.556 122.820 0.010 0.000 2.617 514 A HA -0.245 4.083 4.320 0.014 0.000 0.236 514 A C 0.730 178.323 177.584 0.014 0.000 0.551 514 A CA 1.934 53.983 52.037 0.019 0.000 1.144 514 A CB -2.706 16.305 19.000 0.018 0.000 1.384 514 A HN 0.772 nan 8.150 nan 0.000 0.694 515 V N -3.197 116.719 119.914 0.003 0.000 2.502 515 V HA 0.580 4.708 4.120 0.014 0.000 0.261 515 V C -2.600 173.480 176.094 -0.023 0.000 0.996 515 V CA -1.294 61.008 62.300 0.002 0.000 1.095 515 V CB 0.669 32.501 31.823 0.014 0.000 1.325 515 V HN 0.436 nan 8.190 nan 0.000 0.574 516 P HA 0.262 nan 4.420 nan 0.000 0.269 516 P C -0.562 176.295 177.300 -0.737 0.000 1.215 516 P CA 0.247 62.941 63.100 -0.677 0.000 0.780 516 P CB 0.786 31.577 31.700 -1.514 0.000 0.898 517 K N 2.215 122.237 120.400 -0.631 0.000 2.423 517 K HA 0.210 4.538 4.320 0.014 0.000 0.234 517 K C -0.471 175.846 176.600 -0.473 0.000 1.051 517 K CA -0.270 55.840 56.287 -0.295 0.000 1.021 517 K CB 0.325 32.916 32.500 0.152 0.000 1.474 517 K HN 0.465 nan 8.250 nan 0.000 0.474 518 W N 1.413 122.381 121.300 -0.552 0.000 2.126 518 W HA 0.031 4.700 4.660 0.015 0.000 0.346 518 W C 1.339 177.861 176.519 0.004 0.000 1.279 518 W CA -0.459 56.674 57.345 -0.353 0.000 1.259 518 W CB 0.501 29.575 29.460 -0.644 0.000 1.133 518 W HN 0.375 nan 8.180 nan 0.000 0.592 519 S N 3.458 119.314 115.700 0.261 0.000 2.599 519 S HA -0.128 4.350 4.470 0.014 0.000 0.303 519 S C 1.210 175.961 174.600 0.251 0.000 1.267 519 S CA 0.065 58.364 58.200 0.165 0.000 1.055 519 S CB 0.137 63.385 63.200 0.081 0.000 0.790 519 S HN 0.516 nan 8.310 nan 0.000 0.500 520 I N 2.180 122.858 120.570 0.179 0.000 2.361 520 I HA -0.142 4.036 4.170 0.014 0.000 0.251 520 I C 2.020 178.166 176.117 0.048 0.000 1.133 520 I CA 1.298 62.706 61.300 0.181 0.000 1.413 520 I CB -0.431 37.623 38.000 0.090 0.000 1.073 520 I HN 0.603 nan 8.210 nan 0.000 0.424 521 K N 1.482 121.805 120.400 -0.128 0.000 2.097 521 K HA -0.150 4.178 4.320 0.014 0.000 0.205 521 K C 2.299 178.889 176.600 -0.016 0.000 1.050 521 K CA 1.607 57.726 56.287 -0.280 0.000 0.938 521 K CB -0.165 32.091 32.500 -0.406 0.000 0.718 521 K HN 0.384 nan 8.250 nan 0.000 0.442 522 K N 0.012 120.433 120.400 0.034 0.000 2.116 522 K HA -0.142 4.186 4.320 0.014 0.000 0.203 522 K C 1.855 178.486 176.600 0.051 0.000 1.052 522 K CA 0.619 56.917 56.287 0.019 0.000 0.952 522 K CB -0.037 32.448 32.500 -0.025 0.000 0.729 522 K HN 0.195 nan 8.250 nan 0.000 0.446 523 W N 2.212 123.497 121.300 -0.026 0.000 2.318 523 W HA -0.206 4.460 4.660 0.010 0.000 0.313 523 W C 1.611 178.113 176.519 -0.029 0.000 1.221 523 W CA 1.204 58.546 57.345 -0.005 0.000 1.266 523 W CB -0.669 28.867 29.460 0.128 0.000 1.150 523 W HN 0.083 nan 8.180 nan 0.000 0.496 524 L N 0.823 122.203 121.223 0.261 0.000 2.081 524 L HA -0.253 4.095 4.340 0.014 0.000 0.212 524 L C 2.258 179.198 176.870 0.116 0.000 1.080 524 L CA 2.018 56.946 54.840 0.148 0.000 0.754 524 L CB -1.046 41.089 42.059 0.126 0.000 0.893 524 L HN -0.007 nan 8.230 nan 0.000 0.433 525 S N -1.246 114.509 115.700 0.092 0.000 2.614 525 S HA 0.248 4.726 4.470 0.014 0.000 0.230 525 S C 0.544 175.137 174.600 -0.012 0.000 0.952 525 S CA -0.502 57.722 58.200 0.040 0.000 0.949 525 S CB -0.497 62.726 63.200 0.039 0.000 0.786 525 S HN 0.159 nan 8.310 nan 0.000 0.478 526 L N 2.061 123.269 121.223 -0.025 0.000 2.461 526 L HA 0.281 4.629 4.340 0.014 0.000 0.272 526 L C -2.188 174.653 176.870 -0.048 0.000 1.197 526 L CA -2.005 52.772 54.840 -0.107 0.000 0.836 526 L CB -0.243 41.722 42.059 -0.155 0.000 1.105 526 L HN 0.026 nan 8.230 nan 0.000 0.477 527 P HA -0.030 nan 4.420 nan 0.000 0.260 527 P C 0.773 178.067 177.300 -0.010 0.000 1.172 527 P CA 0.977 64.057 63.100 -0.034 0.000 0.760 527 P CB 0.492 32.166 31.700 -0.043 0.000 0.773 528 G N 1.897 110.699 108.800 0.002 0.000 2.234 528 G HA2 -0.293 3.675 3.960 0.014 0.000 0.260 528 G HA3 -0.293 3.675 3.960 0.014 0.000 0.260 528 G C 0.281 175.198 174.900 0.029 0.000 0.987 528 G CA 0.245 45.354 45.100 0.015 0.000 0.625 528 G HN 0.642 nan 8.290 nan 0.000 0.532 529 E N 1.148 121.371 120.200 0.038 0.000 2.344 529 E HA 0.535 4.893 4.350 0.014 0.000 0.270 529 E C 1.473 178.099 176.600 0.043 0.000 1.021 529 E CA 0.887 57.323 56.400 0.060 0.000 0.887 529 E CB 0.736 30.501 29.700 0.109 0.000 0.997 529 E HN 0.560 nan 8.360 nan 0.000 0.429 530 T N 0.934 115.510 114.554 0.035 0.000 2.969 530 T HA 0.292 4.650 4.350 0.014 0.000 0.258 530 T C 0.638 175.347 174.700 0.014 0.000 0.962 530 T CA -0.387 61.728 62.100 0.025 0.000 0.903 530 T CB 0.108 68.991 68.868 0.024 0.000 1.177 530 T HN 0.273 nan 8.240 nan 0.000 0.511 531 R N 2.419 122.922 120.500 0.005 0.000 2.707 531 R HA 0.412 4.760 4.340 0.014 0.000 0.270 531 R C -2.449 173.829 176.300 -0.037 0.000 1.083 531 R CA -1.727 54.365 56.100 -0.013 0.000 1.182 531 R CB -0.004 30.280 30.300 -0.026 0.000 1.084 531 R HN 0.287 nan 8.270 nan 0.000 0.528 532 P HA 0.093 nan 4.420 nan 0.000 0.276 532 P C -1.056 176.169 177.300 -0.124 0.000 1.244 532 P CA -0.123 62.933 63.100 -0.073 0.000 0.801 532 P CB 0.747 32.406 31.700 -0.068 0.000 1.006 533 L N 2.906 124.033 121.223 -0.160 0.000 2.349 533 L HA 0.562 4.911 4.340 0.014 0.000 0.278 533 L C -0.917 175.803 176.870 -0.251 0.000 0.996 533 L CA -0.684 54.018 54.840 -0.229 0.000 0.825 533 L CB 0.559 42.468 42.059 -0.249 0.000 1.243 533 L HN 0.242 nan 8.230 nan 0.000 0.412 534 I N 5.735 126.167 120.570 -0.230 0.000 2.497 534 I HA 0.247 4.425 4.170 0.014 0.000 0.284 534 I C -0.774 175.253 176.117 -0.150 0.000 1.060 534 I CA -0.573 60.582 61.300 -0.241 0.000 1.071 534 I CB 1.934 39.854 38.000 -0.133 0.000 1.216 534 I HN 0.466 nan 8.210 nan 0.000 0.442 535 L N 5.652 126.754 121.223 -0.202 0.000 2.455 535 L HA 0.026 4.374 4.340 0.014 0.000 0.272 535 L C 1.501 178.460 176.870 0.148 0.000 1.174 535 L CA -0.068 54.730 54.840 -0.071 0.000 0.869 535 L CB 0.579 42.575 42.059 -0.106 0.000 1.130 535 L HN 0.850 nan 8.230 nan 0.000 0.474 536 C N 0.135 119.498 119.300 0.104 0.000 2.448 536 C HA 0.141 4.609 4.460 0.014 0.000 0.280 536 C C 0.546 175.681 174.990 0.242 0.000 1.398 536 C CA -0.158 58.956 59.018 0.159 0.000 1.774 536 C CB -1.121 26.635 27.740 0.027 0.000 1.888 536 C HN 0.824 nan 8.230 nan 0.000 0.519 537 E N -0.780 119.501 120.200 0.135 0.000 2.335 537 E HA 0.594 4.953 4.350 0.014 0.000 0.280 537 E C -1.404 175.132 176.600 -0.105 0.000 0.918 537 E CA -0.413 56.047 56.400 0.100 0.000 0.765 537 E CB 1.820 31.437 29.700 -0.138 0.000 1.218 537 E HN 0.680 nan 8.360 nan 0.000 0.425 538 Y N -1.427 118.840 120.300 -0.056 0.000 2.750 538 Y HA 0.620 5.179 4.550 0.015 0.000 0.335 538 Y C -0.636 175.427 175.900 0.271 0.000 1.252 538 Y CA -0.763 57.319 58.100 -0.030 0.000 1.064 538 Y CB 0.860 39.188 38.460 -0.220 0.000 1.321 538 Y HN 0.696 nan 8.280 nan 0.000 0.451 539 A N 1.585 124.470 122.820 0.109 0.000 2.578 539 A HA -0.265 4.064 4.320 0.014 0.000 0.298 539 A C -0.329 177.397 177.584 0.235 0.000 1.472 539 A CA 1.039 53.133 52.037 0.096 0.000 0.734 539 A CB -2.613 16.341 19.000 -0.077 0.000 1.091 539 A HN 1.099 nan 8.150 nan 0.000 0.426 540 H N 0.384 119.639 119.070 0.309 0.000 3.226 540 H HA 0.250 4.814 4.556 0.013 0.000 0.260 540 H C 1.124 176.541 175.328 0.148 0.000 0.967 540 H CA 0.903 57.152 56.048 0.334 0.000 1.435 540 H CB 0.332 30.184 29.762 0.151 0.000 1.533 540 H HN 0.774 nan 8.280 nan 0.000 0.525 541 A N 6.628 129.398 122.820 -0.082 0.000 2.840 541 A HA 0.050 4.378 4.320 0.014 0.000 0.269 541 A C 0.999 178.477 177.584 -0.176 0.000 1.439 541 A CA -0.418 51.544 52.037 -0.125 0.000 1.083 541 A CB -0.637 18.278 19.000 -0.143 0.000 1.019 541 A HN 0.810 nan 8.150 nan 0.000 0.607 542 M N 1.564 121.057 119.600 -0.179 0.000 2.266 542 M HA 0.412 4.901 4.480 0.014 0.000 0.340 542 M C 0.964 177.101 176.300 -0.272 0.000 1.486 542 M CA 1.308 56.491 55.300 -0.195 0.000 1.209 542 M CB -0.514 32.044 32.600 -0.072 0.000 1.714 542 M HN 0.825 nan 8.290 nan 0.000 0.459 543 G N 4.372 112.959 108.800 -0.354 0.000 2.552 543 G HA2 -0.337 3.631 3.960 0.014 0.000 0.265 543 G HA3 -0.337 3.631 3.960 0.014 0.000 0.265 543 G C -0.246 174.104 174.900 -0.918 0.000 1.234 543 G CA 0.005 44.712 45.100 -0.655 0.000 0.944 543 G HN 0.853 nan 8.290 nan 0.000 0.568 544 N N 1.222 119.241 118.700 -1.135 0.000 2.466 544 N HA 0.480 5.228 4.740 0.014 0.000 0.263 544 N C 0.055 175.292 175.510 -0.454 0.000 1.178 544 N CA 1.112 53.661 53.050 -0.836 0.000 0.983 544 N CB 0.395 38.427 38.487 -0.759 0.000 1.331 544 N HN 0.806 nan 8.380 nan 0.000 0.500 545 S N 2.009 117.529 115.700 -0.301 0.000 2.998 545 S HA 0.628 5.106 4.470 0.014 0.000 0.323 545 S C 0.074 174.609 174.600 -0.109 0.000 1.141 545 S CA -0.353 57.739 58.200 -0.180 0.000 0.873 545 S CB 0.220 63.337 63.200 -0.139 0.000 1.315 545 S HN 0.371 nan 8.310 nan 0.000 0.637 546 L N -0.006 121.190 121.223 -0.045 0.000 4.885 546 L HA -0.068 4.280 4.340 0.014 0.000 0.404 546 L C 0.629 177.545 176.870 0.076 0.000 0.970 546 L CA 0.902 55.741 54.840 -0.002 0.000 1.426 546 L CB -1.824 40.147 42.059 -0.146 0.000 1.934 546 L HN 0.734 nan 8.230 nan 0.000 0.613 547 G N -0.686 108.124 108.800 0.018 0.000 2.313 547 G HA2 0.451 4.419 3.960 0.014 0.000 0.250 547 G HA3 0.451 4.419 3.960 0.014 0.000 0.250 547 G C 1.260 176.202 174.900 0.072 0.000 1.281 547 G CA 0.272 45.360 45.100 -0.021 0.000 0.917 547 G HN 1.378 nan 8.290 nan 0.000 0.501 548 G N 1.931 110.770 108.800 0.064 0.000 2.175 548 G HA2 -0.317 3.651 3.960 0.014 0.000 0.244 548 G HA3 -0.317 3.651 3.960 0.014 0.000 0.244 548 G C 1.032 176.123 174.900 0.317 0.000 0.982 548 G CA 0.735 45.932 45.100 0.161 0.000 0.641 548 G HN 0.791 nan 8.290 nan 0.000 0.527 549 F N 1.964 122.040 119.950 0.210 0.000 2.120 549 F HA 0.091 4.626 4.527 0.014 0.000 0.300 549 F C 2.703 178.720 175.800 0.362 0.000 1.095 549 F CA 2.580 60.773 58.000 0.323 0.000 1.249 549 F CB -0.471 38.652 39.000 0.206 0.000 0.995 549 F HN 0.364 nan 8.300 nan 0.000 0.480 550 A N -0.370 122.620 122.820 0.283 0.000 1.978 550 A HA -0.264 4.064 4.320 0.014 0.000 0.220 550 A C 2.288 179.896 177.584 0.039 0.000 1.170 550 A CA 1.860 53.992 52.037 0.158 0.000 0.636 550 A CB -0.829 18.268 19.000 0.162 0.000 0.810 550 A HN 0.468 nan 8.150 nan 0.000 0.448 551 K N -1.716 118.692 120.400 0.013 0.000 2.097 551 K HA -0.164 4.165 4.320 0.014 0.000 0.206 551 K C 1.698 178.086 176.600 -0.353 0.000 1.049 551 K CA 1.550 57.761 56.287 -0.127 0.000 0.933 551 K CB -0.300 32.126 32.500 -0.125 0.000 0.717 551 K HN 0.592 nan 8.250 nan 0.000 0.442 552 Y N -0.920 119.097 120.300 -0.471 0.000 2.163 552 Y HA -0.226 4.331 4.550 0.013 0.000 0.288 552 Y C 1.969 176.869 175.900 -1.667 0.000 1.136 552 Y CA 1.497 58.948 58.100 -1.082 0.000 1.147 552 Y CB -0.284 37.531 38.460 -1.075 0.000 0.987 552 Y HN 0.159 nan 8.280 nan 0.000 0.509 553 W N 0.232 121.076 121.300 -0.760 0.000 2.358 553 W HA -0.217 4.452 4.660 0.015 0.000 0.303 553 W C 2.640 178.977 176.519 -0.303 0.000 1.208 553 W CA 1.719 58.751 57.345 -0.520 0.000 1.274 553 W CB -0.639 28.607 29.460 -0.357 0.000 1.138 553 W HN 0.087 nan 8.180 nan 0.000 0.515 554 Q N 0.302 120.013 119.800 -0.148 0.000 2.124 554 Q HA -0.193 4.155 4.340 0.014 0.000 0.202 554 Q C 2.248 178.189 176.000 -0.097 0.000 0.977 554 Q CA 1.880 57.637 55.803 -0.076 0.000 0.850 554 Q CB -0.340 28.365 28.738 -0.054 0.000 0.901 554 Q HN 0.276 nan 8.270 nan 0.000 0.429 555 A N 0.213 122.884 122.820 -0.249 0.000 1.873 555 A HA -0.127 4.201 4.320 0.014 0.000 0.215 555 A C 1.873 179.439 177.584 -0.029 0.000 1.186 555 A CA 1.021 52.943 52.037 -0.191 0.000 0.616 555 A CB -1.039 17.728 19.000 -0.390 0.000 0.823 555 A HN 0.500 nan 8.150 nan 0.000 0.442 556 F N -0.325 119.448 119.950 -0.295 0.000 2.161 556 F HA -0.215 4.320 4.527 0.014 0.000 0.300 556 F C 2.762 178.466 175.800 -0.160 0.000 1.089 556 F CA 1.064 58.860 58.000 -0.339 0.000 1.282 556 F CB -0.175 38.394 39.000 -0.718 0.000 1.010 556 F HN 0.175 nan 8.300 nan 0.000 0.485 557 R N 0.083 120.642 120.500 0.098 0.000 2.115 557 R HA -0.160 4.188 4.340 0.014 0.000 0.226 557 R C 2.092 178.429 176.300 0.062 0.000 1.100 557 R CA 1.095 57.236 56.100 0.068 0.000 0.980 557 R CB -0.401 29.933 30.300 0.056 0.000 0.875 557 R HN 0.388 nan 8.270 nan 0.000 0.445 558 Q N -0.221 119.644 119.800 0.110 0.000 2.187 558 Q HA -0.058 4.291 4.340 0.014 0.000 0.199 558 Q C -0.453 175.564 176.000 0.028 0.000 0.957 558 Q CA 0.899 56.755 55.803 0.088 0.000 0.857 558 Q CB 0.390 29.216 28.738 0.146 0.000 0.929 558 Q HN 0.192 nan 8.270 nan 0.000 0.453 559 Y N 0.262 120.546 120.300 -0.027 0.000 2.369 559 Y HA 0.277 4.834 4.550 0.012 0.000 0.337 559 Y C -1.791 174.082 175.900 -0.045 0.000 0.961 559 Y CA -2.840 55.242 58.100 -0.030 0.000 1.186 559 Y CB 1.470 39.917 38.460 -0.022 0.000 1.139 559 Y HN 0.120 nan 8.280 nan 0.000 0.494 560 P HA -0.198 nan 4.420 nan 0.000 0.216 560 P C 1.113 178.412 177.300 -0.003 0.000 1.157 560 P CA 1.945 65.040 63.100 -0.009 0.000 0.880 560 P CB 0.316 31.996 31.700 -0.032 0.000 0.791 561 R N -1.197 119.322 120.500 0.032 0.000 2.280 561 R HA 0.070 4.419 4.340 0.014 0.000 0.207 561 R C 0.545 176.824 176.300 -0.035 0.000 1.043 561 R CA 0.181 56.283 56.100 0.003 0.000 1.006 561 R CB -0.544 29.766 30.300 0.017 0.000 0.885 561 R HN 0.248 nan 8.270 nan 0.000 0.467 562 L N 2.014 123.236 121.223 -0.001 0.000 2.312 562 L HA 0.106 4.454 4.340 0.014 0.000 0.287 562 L C 0.616 177.327 176.870 -0.265 0.000 1.091 562 L CA 0.190 54.968 54.840 -0.104 0.000 0.846 562 L CB 0.972 43.040 42.059 0.014 0.000 1.219 562 L HN 0.082 nan 8.230 nan 0.000 0.439 563 Q N 2.781 122.356 119.800 -0.376 0.000 2.201 563 Q HA 0.306 4.654 4.340 0.014 0.000 0.217 563 Q C 0.874 176.472 176.000 -0.671 0.000 0.860 563 Q CA 0.134 55.684 55.803 -0.421 0.000 0.984 563 Q CB 0.983 29.570 28.738 -0.253 0.000 1.095 563 Q HN 0.969 nan 8.270 nan 0.000 0.477 564 G N -0.321 107.711 108.800 -1.279 0.000 2.418 564 G HA2 0.097 4.065 3.960 0.014 0.000 0.206 564 G HA3 0.097 4.065 3.960 0.014 0.000 0.206 564 G C -0.262 173.825 174.900 -1.355 0.000 1.202 564 G CA -0.744 43.250 45.100 -1.842 0.000 1.061 564 G HN 0.586 nan 8.290 nan 0.000 0.563 565 G N -2.177 106.118 108.800 -0.843 0.000 2.349 565 G HA2 0.639 4.607 3.960 0.014 0.000 0.294 565 G HA3 0.639 4.607 3.960 0.014 0.000 0.294 565 G C -1.824 173.036 174.900 -0.067 0.000 1.380 565 G CA -0.251 44.569 45.100 -0.465 0.000 0.811 565 G HN 1.156 nan 8.290 nan 0.000 0.519 566 F N 0.641 120.847 119.950 0.427 0.000 2.427 566 F HA 0.538 5.072 4.527 0.012 0.000 0.348 566 F C 0.762 176.870 175.800 0.513 0.000 1.125 566 F CA -0.788 57.493 58.000 0.468 0.000 0.989 566 F CB 2.011 41.176 39.000 0.274 0.000 1.165 566 F HN 0.258 nan 8.300 nan 0.000 0.442 567 V N 3.136 123.349 119.914 0.500 0.000 2.843 567 V HA -0.103 4.025 4.120 0.014 0.000 0.305 567 V C -0.304 175.934 176.094 0.241 0.000 1.065 567 V CA -0.317 62.052 62.300 0.115 0.000 1.116 567 V CB 0.933 32.831 31.823 0.126 0.000 0.968 567 V HN 0.787 nan 8.190 nan 0.000 0.487 568 W N 6.394 127.766 121.300 0.120 0.000 2.299 568 W HA 0.446 5.114 4.660 0.013 0.000 0.319 568 W C -0.880 175.655 176.519 0.026 0.000 1.008 568 W CA -0.631 56.826 57.345 0.185 0.000 1.384 568 W CB 1.208 30.949 29.460 0.469 0.000 1.220 568 W HN 0.930 nan 8.180 nan 0.000 0.402 569 D N 2.477 122.575 120.400 -0.503 0.000 2.921 569 D HA 0.078 4.726 4.640 0.014 0.000 0.329 569 D C 0.644 176.722 176.300 -0.370 0.000 1.293 569 D CA -0.516 53.065 54.000 -0.698 0.000 0.964 569 D CB 0.168 39.915 40.800 -1.756 0.000 1.435 569 D HN 0.364 nan 8.370 nan 0.000 0.548 570 W N 0.448 121.443 121.300 -0.509 0.000 2.381 570 W HA 0.117 4.785 4.660 0.014 0.000 0.321 570 W C -0.034 176.269 176.519 -0.360 0.000 1.196 570 W CA 1.413 58.513 57.345 -0.409 0.000 1.304 570 W CB 0.268 29.511 29.460 -0.362 0.000 1.166 570 W HN 0.149 nan 8.180 nan 0.000 0.473 571 V N 2.625 122.276 119.914 -0.438 0.000 2.638 571 V HA 0.225 4.353 4.120 0.014 0.000 0.306 571 V C -0.995 174.889 176.094 -0.350 0.000 1.052 571 V CA -0.793 61.205 62.300 -0.504 0.000 0.885 571 V CB 1.451 33.088 31.823 -0.311 0.000 0.999 571 V HN -0.083 nan 8.190 nan 0.000 0.424 572 D N 4.410 124.597 120.400 -0.355 0.000 2.531 572 D HA 0.056 4.704 4.640 0.014 0.000 0.239 572 D C 0.350 176.463 176.300 -0.313 0.000 1.144 572 D CA 0.777 54.630 54.000 -0.245 0.000 0.869 572 D CB 0.792 41.523 40.800 -0.115 0.000 1.160 572 D HN 0.623 nan 8.370 nan 0.000 0.484 573 Q N 1.392 120.949 119.800 -0.405 0.000 3.247 573 Q HA 0.133 4.481 4.340 0.014 0.000 0.326 573 Q C 0.007 175.879 176.000 -0.214 0.000 1.402 573 Q CA -0.327 54.987 55.803 -0.814 0.000 0.994 573 Q CB 0.039 28.446 28.738 -0.552 0.000 1.647 573 Q HN 0.369 nan 8.270 nan 0.000 0.523 574 S N 0.097 115.782 115.700 -0.026 0.000 2.646 574 S HA 0.664 5.142 4.470 0.014 0.000 0.276 574 S C -0.160 174.602 174.600 0.270 0.000 1.222 574 S CA -0.788 57.553 58.200 0.235 0.000 1.014 574 S CB 1.400 64.732 63.200 0.219 0.000 0.991 574 S HN 0.359 nan 8.310 nan 0.000 0.533 575 L N 1.669 122.985 121.223 0.154 0.000 2.354 575 L HA 0.536 4.884 4.340 0.014 0.000 0.269 575 L C -0.437 176.344 176.870 -0.148 0.000 1.005 575 L CA -1.146 53.666 54.840 -0.046 0.000 0.819 575 L CB 1.583 43.480 42.059 -0.270 0.000 1.311 575 L HN 0.563 nan 8.230 nan 0.000 0.423 576 I N 2.233 122.652 120.570 -0.252 0.000 2.519 576 I HA 0.285 4.463 4.170 0.014 0.000 0.287 576 I C 0.104 175.820 176.117 -0.668 0.000 1.047 576 I CA -0.047 60.967 61.300 -0.476 0.000 1.381 576 I CB 1.260 38.987 38.000 -0.455 0.000 1.417 576 I HN 0.603 nan 8.210 nan 0.000 0.540 577 K N 4.909 124.618 120.400 -1.150 0.000 2.400 577 K HA 0.557 4.885 4.320 0.014 0.000 0.246 577 K C -1.636 174.131 176.600 -1.388 0.000 0.995 577 K CA -0.696 54.857 56.287 -1.223 0.000 0.840 577 K CB 2.412 33.934 32.500 -1.630 0.000 1.293 577 K HN 0.229 nan 8.250 nan 0.000 0.445 578 Y N 0.716 120.775 120.300 -0.403 0.000 2.409 578 Y HA 0.151 4.710 4.550 0.014 0.000 0.343 578 Y C 0.050 176.051 175.900 0.169 0.000 0.973 578 Y CA -1.185 56.855 58.100 -0.101 0.000 1.064 578 Y CB 1.242 39.667 38.460 -0.058 0.000 1.207 578 Y HN 0.652 nan 8.280 nan 0.000 0.452 579 D N 0.568 121.237 120.400 0.448 0.000 2.383 579 D HA 0.027 4.675 4.640 0.014 0.000 0.248 579 D C 1.060 177.478 176.300 0.197 0.000 1.170 579 D CA -0.303 53.902 54.000 0.342 0.000 0.977 579 D CB 0.858 41.799 40.800 0.236 0.000 1.120 579 D HN 0.483 nan 8.370 nan 0.000 0.481 580 E N 0.185 120.460 120.200 0.124 0.000 2.136 580 E HA -0.249 4.109 4.350 0.014 0.000 0.208 580 E C 0.818 177.457 176.600 0.066 0.000 1.035 580 E CA 1.361 57.805 56.400 0.073 0.000 0.838 580 E CB -0.290 29.434 29.700 0.041 0.000 0.748 580 E HN 0.635 nan 8.360 nan 0.000 0.459 581 N N -0.520 118.225 118.700 0.075 0.000 2.362 581 N HA 0.063 4.811 4.740 0.014 0.000 0.204 581 N C 0.980 176.538 175.510 0.079 0.000 1.166 581 N CA 0.739 53.826 53.050 0.062 0.000 0.831 581 N CB 0.667 39.187 38.487 0.055 0.000 1.008 581 N HN 0.209 nan 8.380 nan 0.000 0.472 582 G N 1.125 109.991 108.800 0.111 0.000 2.168 582 G HA2 -0.268 3.700 3.960 0.014 0.000 0.257 582 G HA3 -0.268 3.700 3.960 0.014 0.000 0.257 582 G C -0.248 174.799 174.900 0.244 0.000 0.997 582 G CA -0.252 44.926 45.100 0.130 0.000 0.708 582 G HN 0.368 nan 8.290 nan 0.000 0.520 583 N N 1.448 120.294 118.700 0.243 0.000 2.499 583 N HA 0.427 5.175 4.740 0.014 0.000 0.281 583 N C -2.424 173.257 175.510 0.285 0.000 1.098 583 N CA -1.143 52.056 53.050 0.248 0.000 0.979 583 N CB 1.630 40.224 38.487 0.179 0.000 1.121 583 N HN 0.161 nan 8.380 nan 0.000 0.466 584 P HA 0.280 nan 4.420 nan 0.000 0.278 584 P C -0.551 176.685 177.300 -0.107 0.000 1.238 584 P CA -0.285 62.646 63.100 -0.281 0.000 0.794 584 P CB 0.635 32.204 31.700 -0.218 0.000 0.955 585 W N -0.580 120.487 121.300 -0.388 0.000 3.167 585 W HA 0.419 5.087 4.660 0.013 0.000 0.324 585 W C -1.439 174.914 176.519 -0.278 0.000 1.230 585 W CA -1.032 56.108 57.345 -0.342 0.000 1.184 585 W CB 0.339 29.396 29.460 -0.672 0.000 1.414 585 W HN 0.099 nan 8.180 nan 0.000 0.551 586 S N 1.511 117.286 115.700 0.124 0.000 2.499 586 S HA 0.592 5.071 4.470 0.014 0.000 0.275 586 S C 0.135 174.919 174.600 0.306 0.000 1.257 586 S CA -0.183 58.088 58.200 0.118 0.000 1.050 586 S CB 0.888 64.206 63.200 0.196 0.000 0.937 586 S HN 0.612 nan 8.310 nan 0.000 0.490 587 A N 2.872 125.759 122.820 0.110 0.000 2.356 587 A HA 0.891 5.219 4.320 0.014 0.000 0.323 587 A C -0.776 177.077 177.584 0.449 0.000 1.119 587 A CA -0.770 51.398 52.037 0.219 0.000 0.790 587 A CB 0.789 19.665 19.000 -0.207 0.000 1.273 587 A HN 0.837 nan 8.150 nan 0.000 0.452 588 Y N -0.607 120.007 120.300 0.523 0.000 3.048 588 Y HA 0.796 5.354 4.550 0.014 0.000 0.305 588 Y C 0.649 176.893 175.900 0.573 0.000 1.538 588 Y CA -1.370 57.021 58.100 0.485 0.000 1.082 588 Y CB -0.113 38.462 38.460 0.191 0.000 1.388 588 Y HN 0.913 nan 8.280 nan 0.000 0.557 589 G N -0.430 108.747 108.800 0.629 0.000 2.414 589 G HA2 0.379 4.347 3.960 0.014 0.000 0.236 589 G HA3 0.379 4.347 3.960 0.014 0.000 0.236 589 G C 0.942 176.148 174.900 0.511 0.000 1.293 589 G CA 0.322 45.728 45.100 0.510 0.000 0.869 589 G HN 1.965 nan 8.290 nan 0.000 0.556 590 G N 1.604 110.672 108.800 0.447 0.000 2.284 590 G HA2 -0.298 3.670 3.960 0.014 0.000 0.247 590 G HA3 -0.298 3.670 3.960 0.014 0.000 0.247 590 G C 0.967 176.046 174.900 0.298 0.000 1.012 590 G CA 0.741 46.041 45.100 0.333 0.000 0.618 590 G HN 0.641 nan 8.290 nan 0.000 0.521 591 D N -0.110 120.484 120.400 0.324 0.000 2.378 591 D HA 0.089 4.737 4.640 0.014 0.000 0.222 591 D C 1.268 177.412 176.300 -0.261 0.000 0.980 591 D CA 0.620 54.649 54.000 0.047 0.000 0.907 591 D CB -0.182 40.608 40.800 -0.017 0.000 0.899 591 D HN 0.489 nan 8.370 nan 0.000 0.527 592 F N -0.788 119.297 119.950 0.225 0.000 2.668 592 F HA 0.304 4.839 4.527 0.014 0.000 0.301 592 F C 1.765 177.651 175.800 0.144 0.000 1.106 592 F CA -0.169 57.918 58.000 0.146 0.000 1.289 592 F CB 0.854 39.937 39.000 0.138 0.000 1.006 592 F HN -0.048 nan 8.300 nan 0.000 0.535 593 G N 0.258 109.205 108.800 0.246 0.000 2.179 593 G HA2 -0.277 3.691 3.960 0.014 0.000 0.260 593 G HA3 -0.277 3.691 3.960 0.014 0.000 0.260 593 G C -0.159 174.875 174.900 0.222 0.000 0.977 593 G CA 0.143 45.360 45.100 0.194 0.000 0.641 593 G HN 0.391 nan 8.290 nan 0.000 0.533 594 D N 0.494 121.078 120.400 0.306 0.000 2.424 594 D HA 0.496 5.144 4.640 0.014 0.000 0.244 594 D C 0.217 176.639 176.300 0.203 0.000 1.134 594 D CA 1.017 55.185 54.000 0.280 0.000 0.881 594 D CB 1.549 42.576 40.800 0.378 0.000 1.191 594 D HN 0.591 nan 8.370 nan 0.000 0.445 595 T N 0.611 115.254 114.554 0.149 0.000 3.225 595 T HA 0.399 4.757 4.350 0.014 0.000 0.356 595 T C -2.835 171.905 174.700 0.067 0.000 1.460 595 T CA -1.150 61.009 62.100 0.100 0.000 1.126 595 T CB 0.967 69.893 68.868 0.097 0.000 1.321 595 T HN 0.202 nan 8.240 nan 0.000 0.478 596 P HA 0.492 nan 4.420 nan 0.000 0.271 596 P C -0.833 176.463 177.300 -0.006 0.000 1.244 596 P CA -0.220 62.883 63.100 0.006 0.000 0.793 596 P CB 0.306 31.985 31.700 -0.035 0.000 0.984 597 N N -1.873 116.816 118.700 -0.018 0.000 2.825 597 N HA 0.280 5.029 4.740 0.014 0.000 0.253 597 N C -1.199 174.256 175.510 -0.091 0.000 1.426 597 N CA -0.743 52.272 53.050 -0.059 0.000 0.851 597 N CB 0.771 39.313 38.487 0.092 0.000 1.470 597 N HN 0.071 nan 8.380 nan 0.000 0.517 598 D N -0.302 119.986 120.400 -0.187 0.000 2.559 598 D HA 0.143 4.791 4.640 0.014 0.000 0.234 598 D C 0.438 176.948 176.300 0.350 0.000 1.226 598 D CA -0.123 53.858 54.000 -0.032 0.000 0.830 598 D CB 0.181 40.814 40.800 -0.278 0.000 1.028 598 D HN 0.715 nan 8.370 nan 0.000 0.492 599 R N 0.868 121.576 120.500 0.347 0.000 3.682 599 R HA -0.327 4.021 4.340 0.014 0.000 0.519 599 R C 1.139 177.504 176.300 0.109 0.000 0.241 599 R CA 1.570 57.884 56.100 0.357 0.000 1.619 599 R CB -1.643 28.779 30.300 0.204 0.000 0.923 599 R HN 0.138 nan 8.270 nan 0.000 0.598 600 Q N 1.490 121.004 119.800 -0.476 0.000 2.482 600 Q HA -0.007 4.341 4.340 0.014 0.000 0.209 600 Q C 1.593 177.316 176.000 -0.461 0.000 0.961 600 Q CA 1.314 56.645 55.803 -0.786 0.000 0.945 600 Q CB -0.013 28.025 28.738 -1.167 0.000 1.012 600 Q HN 0.609 nan 8.270 nan 0.000 0.515 601 F N 1.566 121.448 119.950 -0.113 0.000 2.583 601 F HA -0.120 4.415 4.527 0.013 0.000 0.297 601 F C 2.176 177.924 175.800 -0.087 0.000 1.131 601 F CA 0.999 59.003 58.000 0.006 0.000 1.467 601 F CB -0.110 38.967 39.000 0.128 0.000 1.097 601 F HN 0.410 nan 8.300 nan 0.000 0.586 602 C N -1.347 117.701 119.300 -0.421 0.000 2.562 602 C HA 0.221 4.689 4.460 0.014 0.000 0.266 602 C C 0.973 175.770 174.990 -0.323 0.000 1.382 602 C CA -0.493 58.086 59.018 -0.731 0.000 1.742 602 C CB -1.636 25.141 27.740 -1.605 0.000 1.812 602 C HN 0.178 nan 8.230 nan 0.000 0.559 603 M N 2.554 122.015 119.600 -0.232 0.000 2.036 603 M HA 0.296 4.784 4.480 0.014 0.000 0.337 603 M C -0.570 175.639 176.300 -0.151 0.000 1.012 603 M CA 0.327 55.526 55.300 -0.168 0.000 0.962 603 M CB 0.233 32.765 32.600 -0.114 0.000 1.423 603 M HN 0.317 nan 8.290 nan 0.000 0.405 604 N N 1.036 119.648 118.700 -0.146 0.000 2.387 604 N HA 0.221 4.969 4.740 0.014 0.000 0.259 604 N C 0.172 175.523 175.510 -0.265 0.000 1.369 604 N CA -0.523 52.414 53.050 -0.188 0.000 0.867 604 N CB 1.291 39.734 38.487 -0.073 0.000 1.341 604 N HN 0.680 nan 8.380 nan 0.000 0.495 605 G N -0.156 108.469 108.800 -0.292 0.000 2.477 605 G HA2 0.378 4.346 3.960 0.014 0.000 0.304 605 G HA3 0.378 4.346 3.960 0.014 0.000 0.304 605 G C 0.736 175.346 174.900 -0.483 0.000 1.175 605 G CA -0.586 44.254 45.100 -0.433 0.000 0.907 605 G HN 0.098 nan 8.290 nan 0.000 0.509 606 L N -0.321 120.564 121.223 -0.562 0.000 2.291 606 L HA 0.076 4.424 4.340 0.014 0.000 0.214 606 L C 0.988 177.344 176.870 -0.858 0.000 1.120 606 L CA 0.542 55.055 54.840 -0.545 0.000 0.799 606 L CB -0.402 41.392 42.059 -0.442 0.000 0.925 606 L HN 0.380 nan 8.230 nan 0.000 0.446 607 V N -4.935 114.298 119.914 -1.135 0.000 2.914 607 V HA 0.453 4.581 4.120 0.014 0.000 0.314 607 V C -0.208 175.265 176.094 -1.035 0.000 1.084 607 V CA -1.283 60.375 62.300 -1.069 0.000 0.963 607 V CB 1.578 32.850 31.823 -0.918 0.000 1.025 607 V HN -0.138 nan 8.190 nan 0.000 0.432 608 F N 1.707 121.257 119.950 -0.667 0.000 2.485 608 F HA 0.521 5.056 4.527 0.014 0.000 0.327 608 F C 1.962 177.607 175.800 -0.259 0.000 1.203 608 F CA 0.598 58.404 58.000 -0.322 0.000 1.295 608 F CB 0.928 39.862 39.000 -0.110 0.000 1.191 608 F HN 0.785 nan 8.300 nan 0.000 0.588 609 A N 0.821 123.681 122.820 0.067 0.000 2.032 609 A HA -0.234 4.094 4.320 0.014 0.000 0.221 609 A C 1.635 179.182 177.584 -0.063 0.000 1.165 609 A CA 1.930 53.971 52.037 0.007 0.000 0.645 609 A CB -0.931 18.122 19.000 0.088 0.000 0.807 609 A HN 0.796 nan 8.150 nan 0.000 0.453 610 D N -3.026 117.354 120.400 -0.034 0.000 2.328 610 D HA 0.132 4.780 4.640 0.014 0.000 0.226 610 D C 0.671 176.948 176.300 -0.039 0.000 1.066 610 D CA 0.021 53.982 54.000 -0.066 0.000 0.861 610 D CB -0.073 40.693 40.800 -0.057 0.000 0.912 610 D HN 0.200 nan 8.370 nan 0.000 0.521 611 R N -1.847 118.618 120.500 -0.059 0.000 3.728 611 R HA -0.122 4.226 4.340 0.014 0.000 0.478 611 R C -0.211 176.058 176.300 -0.051 0.000 0.932 611 R CA 1.089 57.142 56.100 -0.077 0.000 1.317 611 R CB -3.215 27.090 30.300 0.007 0.000 1.987 611 R HN 0.249 nan 8.270 nan 0.000 0.509 612 T N 2.794 117.357 114.554 0.016 0.000 2.901 612 T HA 0.349 4.707 4.350 0.014 0.000 0.301 612 T C -2.296 172.449 174.700 0.075 0.000 1.012 612 T CA -0.750 61.390 62.100 0.067 0.000 1.135 612 T CB 1.015 69.947 68.868 0.107 0.000 0.936 612 T HN -0.077 nan 8.240 nan 0.000 0.539 613 P HA 0.220 nan 4.420 nan 0.000 0.274 613 P C -0.255 177.038 177.300 -0.012 0.000 1.231 613 P CA -0.330 62.711 63.100 -0.098 0.000 0.790 613 P CB 0.460 32.138 31.700 -0.037 0.000 0.951 614 H N 1.864 120.759 119.070 -0.290 0.000 2.508 614 H HA 0.132 4.696 4.556 0.013 0.000 0.358 614 H C -1.213 174.014 175.328 -0.170 0.000 1.212 614 H CA -1.871 53.976 56.048 -0.335 0.000 1.356 614 H CB 0.288 29.801 29.762 -0.415 0.000 1.525 614 H HN 0.334 nan 8.280 nan 0.000 0.578 615 P HA -0.203 nan 4.420 nan 0.000 0.217 615 P C 1.079 178.374 177.300 -0.008 0.000 1.148 615 P CA 1.585 64.674 63.100 -0.018 0.000 0.828 615 P CB 0.000 31.690 31.700 -0.018 0.000 0.783 616 A N -0.799 122.015 122.820 -0.009 0.000 2.070 616 A HA -0.170 4.158 4.320 0.014 0.000 0.220 616 A C 2.072 179.605 177.584 -0.085 0.000 1.159 616 A CA 1.117 53.115 52.037 -0.065 0.000 0.656 616 A CB -1.547 17.393 19.000 -0.100 0.000 0.800 616 A HN 0.161 nan 8.150 nan 0.000 0.453 617 L N -0.592 120.601 121.223 -0.050 0.000 2.042 617 L HA -0.134 4.214 4.340 0.014 0.000 0.210 617 L C 2.550 179.460 176.870 0.066 0.000 1.076 617 L CA 2.691 57.534 54.840 0.005 0.000 0.749 617 L CB -0.875 41.184 42.059 0.001 0.000 0.893 617 L HN 0.378 nan 8.230 nan 0.000 0.432 618 T N -1.798 112.801 114.554 0.075 0.000 2.867 618 T HA -0.180 4.179 4.350 0.014 0.000 0.268 618 T C 1.792 176.594 174.700 0.168 0.000 1.057 618 T CA 1.344 63.547 62.100 0.172 0.000 1.136 618 T CB -0.109 68.848 68.868 0.148 0.000 0.874 618 T HN 0.472 nan 8.240 nan 0.000 0.466 619 E N 0.863 121.100 120.200 0.061 0.000 2.077 619 E HA 0.045 4.403 4.350 0.014 0.000 0.193 619 E C 2.199 178.792 176.600 -0.012 0.000 0.989 619 E CA 1.406 57.839 56.400 0.055 0.000 0.800 619 E CB -0.620 29.082 29.700 0.003 0.000 0.746 619 E HN 0.529 nan 8.360 nan 0.000 0.452 620 A N 0.999 123.699 122.820 -0.200 0.000 1.902 620 A HA -0.234 4.094 4.320 0.014 0.000 0.217 620 A C 2.169 179.625 177.584 -0.214 0.000 1.181 620 A CA 1.954 53.815 52.037 -0.292 0.000 0.623 620 A CB -0.646 18.185 19.000 -0.282 0.000 0.818 620 A HN 0.272 nan 8.150 nan 0.000 0.443 621 K N -1.222 119.133 120.400 -0.075 0.000 2.032 621 K HA -0.290 4.038 4.320 0.014 0.000 0.209 621 K C 2.074 178.549 176.600 -0.208 0.000 1.048 621 K CA 2.043 58.293 56.287 -0.062 0.000 0.927 621 K CB -0.371 32.254 32.500 0.208 0.000 0.712 621 K HN 0.636 nan 8.250 nan 0.000 0.441 622 H N 0.354 119.214 119.070 -0.351 0.000 2.353 622 H HA -0.037 4.527 4.556 0.014 0.000 0.300 622 H C 1.974 177.015 175.328 -0.478 0.000 1.090 622 H CA 1.826 57.474 56.048 -0.667 0.000 1.327 622 H CB 0.101 29.501 29.762 -0.604 0.000 1.383 622 H HN 0.255 nan 8.280 nan 0.000 0.508 623 Q N 0.193 119.749 119.800 -0.407 0.000 2.224 623 Q HA -0.094 4.254 4.340 0.014 0.000 0.203 623 Q C 1.610 177.070 176.000 -0.900 0.000 0.970 623 Q CA 1.188 56.675 55.803 -0.526 0.000 0.865 623 Q CB 0.044 28.622 28.738 -0.267 0.000 0.922 623 Q HN 0.707 nan 8.270 nan 0.000 0.445 624 Q N 0.122 119.339 119.800 -0.972 0.000 2.320 624 Q HA 0.068 4.416 4.340 0.014 0.000 0.201 624 Q C -0.034 175.382 176.000 -0.973 0.000 0.910 624 Q CA -0.215 54.858 55.803 -1.216 0.000 0.946 624 Q CB 0.364 28.440 28.738 -1.103 0.000 1.062 624 Q HN 0.392 nan 8.270 nan 0.000 0.503 625 Q N -0.556 118.822 119.800 -0.703 0.000 2.469 625 Q HA -0.060 4.288 4.340 0.014 0.000 0.279 625 Q C -0.063 175.540 176.000 -0.663 0.000 1.097 625 Q CA 0.486 55.994 55.803 -0.492 0.000 0.951 625 Q CB 0.425 28.967 28.738 -0.327 0.000 1.297 625 Q HN 0.294 nan 8.270 nan 0.000 0.465 626 F N -0.321 119.380 119.950 -0.414 0.000 2.721 626 F HA 0.234 4.768 4.527 0.013 0.000 0.301 626 F C -0.083 175.113 175.800 -1.007 0.000 1.096 626 F CA -0.066 57.443 58.000 -0.818 0.000 1.308 626 F CB 0.604 38.815 39.000 -1.314 0.000 1.086 626 F HN 0.296 nan 8.300 nan 0.000 0.587 627 F N 0.580 120.437 119.950 -0.155 0.000 2.520 627 F HA 0.480 5.016 4.527 0.014 0.000 0.322 627 F C -0.015 175.424 175.800 -0.601 0.000 1.103 627 F CA -1.062 56.737 58.000 -0.335 0.000 0.926 627 F CB 1.256 40.059 39.000 -0.329 0.000 1.154 627 F HN -0.315 nan 8.300 nan 0.000 0.453 628 Q N 2.970 122.504 119.800 -0.444 0.000 2.301 628 Q HA 0.590 4.938 4.340 0.014 0.000 0.267 628 Q C -1.336 174.363 176.000 -0.502 0.000 1.035 628 Q CA -0.656 54.922 55.803 -0.374 0.000 0.856 628 Q CB 2.884 31.531 28.738 -0.153 0.000 1.337 628 Q HN 0.564 nan 8.270 nan 0.000 0.450 629 F N 0.010 120.080 119.950 0.201 0.000 2.588 629 F HA 0.597 5.133 4.527 0.014 0.000 0.314 629 F C 0.282 176.312 175.800 0.383 0.000 1.069 629 F CA -0.865 57.327 58.000 0.321 0.000 0.931 629 F CB 2.175 41.488 39.000 0.521 0.000 1.260 629 F HN 0.127 nan 8.300 nan 0.000 0.465 630 R N 1.563 122.367 120.500 0.506 0.000 2.725 630 R HA 0.714 5.062 4.340 0.014 0.000 0.277 630 R C -2.054 174.300 176.300 0.089 0.000 0.987 630 R CA -1.212 55.093 56.100 0.342 0.000 0.901 630 R CB 3.062 33.469 30.300 0.179 0.000 1.207 630 R HN 0.578 nan 8.270 nan 0.000 0.463 631 L N 0.741 121.892 121.223 -0.120 0.000 2.365 631 L HA 0.572 4.920 4.340 0.014 0.000 0.273 631 L C -1.098 175.621 176.870 -0.251 0.000 1.000 631 L CA 0.004 54.559 54.840 -0.477 0.000 0.819 631 L CB 2.183 43.496 42.059 -1.243 0.000 1.284 631 L HN 0.583 nan 8.230 nan 0.000 0.418 632 S N 3.976 119.546 115.700 -0.218 0.000 2.673 632 S HA 0.694 5.172 4.470 0.014 0.000 0.256 632 S C 0.173 174.684 174.600 -0.149 0.000 1.141 632 S CA 0.305 58.421 58.200 -0.139 0.000 1.109 632 S CB 0.185 63.335 63.200 -0.082 0.000 1.101 632 S HN 1.734 nan 8.310 nan 0.000 0.471 633 G N 4.620 113.331 108.800 -0.148 0.000 2.543 633 G HA2 -0.303 3.665 3.960 0.014 0.000 0.286 633 G HA3 -0.303 3.665 3.960 0.014 0.000 0.286 633 G C 0.344 175.134 174.900 -0.184 0.000 1.153 633 G CA 0.683 45.700 45.100 -0.138 0.000 0.968 633 G HN 1.288 nan 8.290 nan 0.000 0.544 634 Q N 1.186 120.878 119.800 -0.180 0.000 2.155 634 Q HA 0.341 4.689 4.340 0.014 0.000 0.220 634 Q C 0.226 176.079 176.000 -0.245 0.000 0.819 634 Q CA 0.863 56.526 55.803 -0.234 0.000 1.032 634 Q CB -0.438 28.154 28.738 -0.243 0.000 1.151 634 Q HN 0.592 nan 8.270 nan 0.000 0.487 635 T N 2.049 116.478 114.554 -0.207 0.000 2.749 635 T HA 0.590 4.948 4.350 0.014 0.000 0.287 635 T C 0.068 174.648 174.700 -0.200 0.000 0.970 635 T CA -0.337 61.659 62.100 -0.173 0.000 0.980 635 T CB 0.934 69.733 68.868 -0.114 0.000 0.924 635 T HN 0.205 nan 8.240 nan 0.000 0.456 636 I N 2.899 123.364 120.570 -0.175 0.000 2.331 636 I HA 0.291 4.469 4.170 0.014 0.000 0.292 636 I C 0.585 176.705 176.117 0.005 0.000 0.998 636 I CA -0.551 60.671 61.300 -0.130 0.000 1.267 636 I CB 1.211 39.154 38.000 -0.096 0.000 1.386 636 I HN 0.594 nan 8.210 nan 0.000 0.476 637 E N 6.785 127.022 120.200 0.061 0.000 2.133 637 E HA 0.435 4.793 4.350 0.014 0.000 0.274 637 E C -1.620 175.073 176.600 0.154 0.000 0.930 637 E CA -0.571 55.880 56.400 0.085 0.000 0.770 637 E CB 1.629 31.365 29.700 0.061 0.000 1.104 637 E HN 0.344 nan 8.360 nan 0.000 0.403 638 V N 4.195 124.184 119.914 0.126 0.000 2.435 638 V HA 0.333 4.461 4.120 0.014 0.000 0.290 638 V C -0.121 175.996 176.094 0.039 0.000 1.030 638 V CA -0.492 61.856 62.300 0.081 0.000 0.881 638 V CB 1.888 33.784 31.823 0.122 0.000 0.983 638 V HN 0.739 nan 8.190 nan 0.000 0.445 639 T N 3.176 117.718 114.554 -0.020 0.000 2.807 639 T HA 0.314 4.673 4.350 0.014 0.000 0.279 639 T C -0.089 174.620 174.700 0.015 0.000 0.993 639 T CA -0.263 61.839 62.100 0.004 0.000 0.970 639 T CB 1.569 70.418 68.868 -0.031 0.000 0.950 639 T HN 0.647 nan 8.240 nan 0.000 0.441 640 S N 1.716 117.442 115.700 0.043 0.000 2.523 640 S HA 0.173 4.651 4.470 0.014 0.000 0.275 640 S C 0.785 175.280 174.600 -0.176 0.000 1.281 640 S CA -0.477 57.695 58.200 -0.047 0.000 1.050 640 S CB 0.409 63.649 63.200 0.066 0.000 0.937 640 S HN 0.713 nan 8.310 nan 0.000 0.492 641 E N 3.161 123.146 120.200 -0.360 0.000 2.465 641 E HA 0.100 4.458 4.350 0.014 0.000 0.195 641 E C -0.828 175.582 176.600 -0.317 0.000 1.028 641 E CA -0.092 56.126 56.400 -0.304 0.000 0.899 641 E CB 0.325 29.842 29.700 -0.305 0.000 1.032 641 E HN 0.684 nan 8.360 nan 0.000 0.468 642 Y N 0.455 120.637 120.300 -0.197 0.000 2.346 642 Y HA 0.054 4.612 4.550 0.013 0.000 0.330 642 Y C 1.372 177.105 175.900 -0.278 0.000 1.178 642 Y CA -0.114 57.858 58.100 -0.214 0.000 1.331 642 Y CB 0.867 39.190 38.460 -0.229 0.000 1.253 642 Y HN -0.021 nan 8.280 nan 0.000 0.529 643 L N 1.549 122.583 121.223 -0.315 0.000 2.408 643 L HA 0.037 4.385 4.340 0.014 0.000 0.215 643 L C 0.766 177.179 176.870 -0.761 0.000 1.081 643 L CA 0.669 55.098 54.840 -0.685 0.000 0.840 643 L CB 0.008 41.231 42.059 -1.393 0.000 1.002 643 L HN 0.662 nan 8.230 nan 0.000 0.468 644 F N -0.293 119.686 119.950 0.047 0.000 2.557 644 F HA 0.188 4.723 4.527 0.012 0.000 0.278 644 F C 1.437 177.238 175.800 0.000 0.000 1.051 644 F CA -0.732 57.269 58.000 0.003 0.000 1.357 644 F CB 0.202 39.180 39.000 -0.038 0.000 1.104 644 F HN -0.130 nan 8.300 nan 0.000 0.654 645 R N 0.396 120.955 120.500 0.099 0.000 2.532 645 R HA 0.409 4.757 4.340 0.014 0.000 0.272 645 R C -1.022 175.301 176.300 0.039 0.000 1.032 645 R CA -0.635 55.476 56.100 0.018 0.000 1.089 645 R CB 0.720 30.922 30.300 -0.163 0.000 1.098 645 R HN 0.086 nan 8.270 nan 0.000 0.526 646 H N 0.123 119.187 119.070 -0.009 0.000 2.488 646 H HA 0.132 4.696 4.556 0.013 0.000 0.347 646 H C -0.157 175.194 175.328 0.037 0.000 1.174 646 H CA -0.060 56.013 56.048 0.041 0.000 1.307 646 H CB 1.300 31.085 29.762 0.039 0.000 1.517 646 H HN 0.742 nan 8.280 nan 0.000 0.554 647 S N 1.959 117.552 115.700 -0.178 0.000 4.175 647 S HA -0.030 4.448 4.470 0.014 0.000 0.193 647 S C 0.252 174.953 174.600 0.168 0.000 1.373 647 S CA -0.108 58.148 58.200 0.093 0.000 0.908 647 S CB -0.860 62.424 63.200 0.140 0.000 1.547 647 S HN 0.744 nan 8.310 nan 0.000 0.440 648 D N 0.756 121.258 120.400 0.171 0.000 2.363 648 D HA -0.053 4.595 4.640 0.014 0.000 0.220 648 D C 0.527 176.883 176.300 0.093 0.000 0.994 648 D CA 0.313 54.408 54.000 0.158 0.000 0.890 648 D CB -0.180 40.684 40.800 0.108 0.000 0.906 648 D HN 0.503 nan 8.370 nan 0.000 0.530 649 N N -0.128 118.624 118.700 0.086 0.000 2.673 649 N HA 0.193 4.941 4.740 0.014 0.000 0.265 649 N C -1.687 173.878 175.510 0.092 0.000 1.709 649 N CA -0.279 52.812 53.050 0.068 0.000 0.792 649 N CB 0.270 38.782 38.487 0.042 0.000 1.286 649 N HN -0.033 nan 8.380 nan 0.000 0.506 650 E N -0.042 120.207 120.200 0.082 0.000 2.335 650 E HA 0.492 4.850 4.350 0.014 0.000 0.280 650 E C -1.424 175.202 176.600 0.043 0.000 0.918 650 E CA -0.666 55.775 56.400 0.069 0.000 0.765 650 E CB 1.961 31.669 29.700 0.014 0.000 1.218 650 E HN 0.328 nan 8.360 nan 0.000 0.425 651 L N 0.148 121.405 121.223 0.057 0.000 2.381 651 L HA 0.721 5.069 4.340 0.014 0.000 0.268 651 L C -1.257 175.670 176.870 0.095 0.000 0.997 651 L CA -1.047 53.834 54.840 0.068 0.000 0.818 651 L CB 1.321 43.425 42.059 0.076 0.000 1.310 651 L HN 0.530 nan 8.230 nan 0.000 0.416 652 L N 3.158 124.449 121.223 0.113 0.000 2.264 652 L HA 0.478 4.827 4.340 0.014 0.000 0.289 652 L C -0.575 176.418 176.870 0.205 0.000 1.044 652 L CA -0.089 54.848 54.840 0.162 0.000 0.807 652 L CB 0.501 42.664 42.059 0.173 0.000 1.192 652 L HN 0.778 nan 8.230 nan 0.000 0.425 653 H N 6.278 125.416 119.070 0.114 0.000 2.457 653 H HA 0.359 4.924 4.556 0.013 0.000 0.335 653 H C -1.678 173.732 175.328 0.136 0.000 1.115 653 H CA -0.628 55.447 56.048 0.046 0.000 1.219 653 H CB 1.107 30.856 29.762 -0.021 0.000 1.471 653 H HN 0.767 nan 8.280 nan 0.000 0.491 654 W N 5.100 125.943 121.300 -0.762 0.000 2.950 654 W HA 0.555 5.223 4.660 0.013 0.000 0.340 654 W C -1.914 174.342 176.519 -0.439 0.000 1.139 654 W CA -1.352 55.755 57.345 -0.397 0.000 1.188 654 W CB 1.584 30.941 29.460 -0.172 0.000 1.426 654 W HN 0.590 nan 8.180 nan 0.000 0.531 655 M N 2.737 122.490 119.600 0.254 0.000 2.413 655 M HA 0.587 5.075 4.480 0.014 0.000 0.287 655 M C -2.517 174.004 176.300 0.367 0.000 1.186 655 M CA -0.373 55.039 55.300 0.187 0.000 0.927 655 M CB 2.337 34.966 32.600 0.049 0.000 1.715 655 M HN 0.206 nan 8.290 nan 0.000 0.478 656 V N 3.494 123.621 119.914 0.354 0.000 2.495 656 V HA 1.004 5.132 4.120 0.014 0.000 0.298 656 V C -0.451 175.763 176.094 0.199 0.000 1.031 656 V CA -0.214 62.256 62.300 0.283 0.000 0.871 656 V CB 1.328 33.314 31.823 0.271 0.000 0.988 656 V HN 1.016 nan 8.190 nan 0.000 0.432 657 A N 4.390 127.332 122.820 0.203 0.000 2.498 657 A HA 0.906 5.234 4.320 0.014 0.000 0.298 657 A C -1.438 176.264 177.584 0.195 0.000 1.075 657 A CA -0.641 51.484 52.037 0.148 0.000 0.714 657 A CB 1.765 20.816 19.000 0.084 0.000 1.299 657 A HN 0.887 nan 8.150 nan 0.000 0.407 658 L N 1.328 122.637 121.223 0.143 0.000 2.277 658 L HA 0.542 4.890 4.340 0.014 0.000 0.284 658 L C -0.751 176.220 176.870 0.168 0.000 1.028 658 L CA 0.205 55.143 54.840 0.164 0.000 0.835 658 L CB 0.299 42.423 42.059 0.108 0.000 1.215 658 L HN 0.734 nan 8.230 nan 0.000 0.425 659 D N 4.794 125.363 120.400 0.281 0.000 2.735 659 D HA -0.194 4.454 4.640 0.014 0.000 0.235 659 D C 1.176 177.522 176.300 0.076 0.000 1.175 659 D CA 1.548 55.708 54.000 0.266 0.000 0.683 659 D CB -1.054 39.868 40.800 0.203 0.000 1.008 659 D HN 1.185 nan 8.370 nan 0.000 0.416 660 G N -0.544 108.260 108.800 0.007 0.000 2.234 660 G HA2 -0.376 3.592 3.960 0.014 0.000 0.260 660 G HA3 -0.376 3.592 3.960 0.014 0.000 0.260 660 G C 0.266 175.090 174.900 -0.126 0.000 0.987 660 G CA 0.601 45.594 45.100 -0.179 0.000 0.625 660 G HN 0.503 nan 8.290 nan 0.000 0.532 661 K N 1.862 122.241 120.400 -0.036 0.000 2.281 661 K HA 0.462 4.790 4.320 0.014 0.000 0.272 661 K C -2.628 173.972 176.600 0.001 0.000 1.048 661 K CA -1.980 54.291 56.287 -0.027 0.000 0.898 661 K CB 1.823 34.324 32.500 0.001 0.000 1.128 661 K HN 0.050 nan 8.250 nan 0.000 0.460 662 P HA -0.034 nan 4.420 nan 0.000 0.266 662 P C 0.028 177.343 177.300 0.026 0.000 1.195 662 P CA 0.119 63.221 63.100 0.003 0.000 0.768 662 P CB 0.730 32.415 31.700 -0.024 0.000 0.838 663 L N 0.817 122.073 121.223 0.055 0.000 2.713 663 L HA 0.461 4.809 4.340 0.014 0.000 0.223 663 L C 0.755 177.673 176.870 0.080 0.000 1.040 663 L CA 0.392 55.272 54.840 0.066 0.000 0.894 663 L CB 0.324 42.438 42.059 0.092 0.000 1.361 663 L HN 0.399 nan 8.230 nan 0.000 0.490 664 A N -0.235 122.655 122.820 0.115 0.000 2.610 664 A HA 0.713 5.041 4.320 0.014 0.000 0.291 664 A C -0.888 176.683 177.584 -0.022 0.000 1.086 664 A CA 0.158 52.278 52.037 0.139 0.000 0.677 664 A CB 1.883 21.084 19.000 0.335 0.000 1.278 664 A HN 0.141 nan 8.150 nan 0.000 0.414 665 S N -0.912 114.513 115.700 -0.458 0.000 2.636 665 S HA 0.940 5.418 4.470 0.014 0.000 0.266 665 S C -0.315 173.323 174.600 -1.603 0.000 1.147 665 S CA 0.026 57.426 58.200 -1.335 0.000 0.815 665 S CB 0.856 63.707 63.200 -0.581 0.000 1.119 665 S HN 2.724 nan 8.310 nan 0.000 0.470 666 G N -0.173 107.460 108.800 -1.945 0.000 2.349 666 G HA2 0.551 4.519 3.960 0.014 0.000 0.294 666 G HA3 0.551 4.519 3.960 0.014 0.000 0.294 666 G C -2.459 171.981 174.900 -0.767 0.000 1.380 666 G CA -0.798 43.707 45.100 -0.992 0.000 0.811 666 G HN 0.802 nan 8.290 nan 0.000 0.519 667 E N -1.091 119.032 120.200 -0.129 0.000 2.340 667 E HA 0.660 5.019 4.350 0.014 0.000 0.273 667 E C -1.436 175.249 176.600 0.142 0.000 0.891 667 E CA -0.973 55.471 56.400 0.074 0.000 0.757 667 E CB 3.198 32.961 29.700 0.105 0.000 1.231 667 E HN 0.375 nan 8.360 nan 0.000 0.439 668 V N 1.967 121.976 119.914 0.158 0.000 2.777 668 V HA 0.321 4.449 4.120 0.014 0.000 0.306 668 V C -2.572 173.586 176.094 0.106 0.000 1.112 668 V CA -1.926 60.455 62.300 0.136 0.000 0.917 668 V CB 2.168 34.083 31.823 0.154 0.000 1.018 668 V HN 0.553 nan 8.190 nan 0.000 0.426 669 P HA 0.327 nan 4.420 nan 0.000 0.275 669 P C -0.675 176.664 177.300 0.065 0.000 1.228 669 P CA -0.199 62.945 63.100 0.073 0.000 0.786 669 P CB 0.678 32.420 31.700 0.070 0.000 0.927 670 L N 2.498 123.744 121.223 0.038 0.000 2.326 670 L HA 0.296 4.644 4.340 0.014 0.000 0.278 670 L C 0.431 177.332 176.870 0.052 0.000 1.092 670 L CA 0.247 55.090 54.840 0.006 0.000 0.810 670 L CB 0.566 42.555 42.059 -0.116 0.000 1.153 670 L HN 0.378 nan 8.230 nan 0.000 0.439 671 D N 2.695 123.135 120.400 0.066 0.000 2.468 671 D HA 0.373 5.021 4.640 0.014 0.000 0.272 671 D C -1.308 175.016 176.300 0.039 0.000 1.221 671 D CA -0.173 53.925 54.000 0.163 0.000 0.860 671 D CB 0.837 41.757 40.800 0.200 0.000 1.190 671 D HN 0.100 nan 8.370 nan 0.000 0.509 672 V N 0.743 120.506 119.914 -0.253 0.000 2.531 672 V HA 0.880 5.008 4.120 0.014 0.000 0.301 672 V C 0.737 176.492 176.094 -0.565 0.000 1.034 672 V CA -1.399 60.771 62.300 -0.218 0.000 0.865 672 V CB 1.236 33.067 31.823 0.014 0.000 0.995 672 V HN 0.475 nan 8.190 nan 0.000 0.424 673 A N 6.071 128.760 122.820 -0.218 0.000 2.425 673 A HA 0.654 4.982 4.320 0.014 0.000 0.242 673 A C -2.147 175.441 177.584 0.006 0.000 1.077 673 A CA -1.265 50.781 52.037 0.015 0.000 0.781 673 A CB -0.323 18.769 19.000 0.152 0.000 1.020 673 A HN 0.742 nan 8.150 nan 0.000 0.494 674 P HA -0.032 nan 4.420 nan 0.000 0.260 674 P C -0.366 176.932 177.300 -0.002 0.000 1.172 674 P CA 0.758 63.873 63.100 0.025 0.000 0.760 674 P CB 0.233 31.939 31.700 0.010 0.000 0.773 675 Q N -0.927 118.857 119.800 -0.027 0.000 2.362 675 Q HA -0.191 4.158 4.340 0.014 0.000 0.220 675 Q C 0.835 176.829 176.000 -0.009 0.000 0.713 675 Q CA 1.369 57.150 55.803 -0.037 0.000 1.345 675 Q CB -2.305 26.404 28.738 -0.050 0.000 1.570 675 Q HN 0.756 nan 8.270 nan 0.000 0.701 676 G N 0.430 109.236 108.800 0.011 0.000 2.532 676 G HA2 0.570 4.538 3.960 0.014 0.000 0.291 676 G HA3 0.570 4.538 3.960 0.014 0.000 0.291 676 G C -0.362 174.557 174.900 0.031 0.000 1.349 676 G CA -0.554 44.561 45.100 0.025 0.000 1.038 676 G HN -0.003 nan 8.290 nan 0.000 0.518 677 K N -0.600 119.822 120.400 0.037 0.000 2.469 677 K HA 0.430 4.759 4.320 0.014 0.000 0.254 677 K C -1.179 175.450 176.600 0.048 0.000 0.939 677 K CA -0.639 55.673 56.287 0.041 0.000 0.812 677 K CB 2.744 35.264 32.500 0.032 0.000 1.301 677 K HN 0.547 nan 8.250 nan 0.000 0.433 678 Q N 2.850 122.682 119.800 0.054 0.000 2.323 678 Q HA 0.446 4.794 4.340 0.014 0.000 0.271 678 Q C -1.642 174.390 176.000 0.052 0.000 1.048 678 Q CA -0.687 55.149 55.803 0.055 0.000 0.792 678 Q CB 1.500 30.274 28.738 0.060 0.000 1.280 678 Q HN 0.541 nan 8.270 nan 0.000 0.441 679 L N 4.883 126.129 121.223 0.038 0.000 2.317 679 L HA 0.606 4.954 4.340 0.014 0.000 0.281 679 L C -0.585 176.294 176.870 0.015 0.000 1.024 679 L CA -0.800 54.053 54.840 0.021 0.000 0.810 679 L CB 1.553 43.615 42.059 0.006 0.000 1.240 679 L HN 0.611 nan 8.230 nan 0.000 0.427 680 I N 2.321 122.890 120.570 -0.002 0.000 2.439 680 I HA 0.257 4.435 4.170 0.014 0.000 0.285 680 I C -0.591 175.478 176.117 -0.079 0.000 1.021 680 I CA -0.523 60.765 61.300 -0.019 0.000 1.091 680 I CB 2.234 40.237 38.000 0.005 0.000 1.242 680 I HN 0.528 nan 8.210 nan 0.000 0.439 681 E N 5.993 126.148 120.200 -0.075 0.000 2.146 681 E HA 0.444 4.802 4.350 0.014 0.000 0.282 681 E C -0.769 175.732 176.600 -0.164 0.000 0.989 681 E CA -0.325 56.006 56.400 -0.114 0.000 0.799 681 E CB 1.194 30.848 29.700 -0.077 0.000 1.088 681 E HN 0.411 nan 8.360 nan 0.000 0.397 682 L N 5.740 126.803 121.223 -0.267 0.000 2.417 682 L HA 0.347 4.695 4.340 0.014 0.000 0.268 682 L C -1.721 174.999 176.870 -0.250 0.000 1.158 682 L CA -1.808 52.790 54.840 -0.403 0.000 0.819 682 L CB 0.468 42.182 42.059 -0.576 0.000 1.112 682 L HN 0.413 nan 8.230 nan 0.000 0.458 683 P HA -0.025 nan 4.420 nan 0.000 0.282 683 P C -0.595 176.650 177.300 -0.092 0.000 1.286 683 P CA -0.522 62.530 63.100 -0.081 0.000 0.777 683 P CB 0.276 31.990 31.700 0.024 0.000 1.184 684 E N 0.622 120.800 120.200 -0.037 0.000 2.491 684 E HA -0.022 4.336 4.350 0.014 0.000 0.250 684 E C -0.807 175.782 176.600 -0.020 0.000 1.061 684 E CA 0.124 56.506 56.400 -0.029 0.000 0.942 684 E CB -0.337 29.360 29.700 -0.005 0.000 0.957 684 E HN 0.285 nan 8.360 nan 0.000 0.480 685 L N 7.616 128.813 121.223 -0.043 0.000 2.290 685 L HA 0.280 4.629 4.340 0.014 0.000 0.284 685 L C -2.009 174.864 176.870 0.006 0.000 1.078 685 L CA -2.074 52.757 54.840 -0.016 0.000 0.815 685 L CB 1.184 43.217 42.059 -0.043 0.000 1.162 685 L HN 0.474 nan 8.230 nan 0.000 0.435 686 P HA 0.107 nan 4.420 nan 0.000 0.271 686 P C -1.176 176.139 177.300 0.024 0.000 1.218 686 P CA -0.448 62.669 63.100 0.029 0.000 0.780 686 P CB 0.643 32.368 31.700 0.042 0.000 0.901 687 Q N 2.888 122.698 119.800 0.017 0.000 2.241 687 Q HA 0.547 4.895 4.340 0.014 0.000 0.254 687 Q C -2.055 173.956 176.000 0.019 0.000 0.917 687 Q CA -1.342 54.469 55.803 0.014 0.000 0.919 687 Q CB 0.182 28.922 28.738 0.005 0.000 1.237 687 Q HN 0.344 nan 8.270 nan 0.000 0.434 688 P HA 0.319 nan 4.420 nan 0.000 0.307 688 P C -0.712 176.600 177.300 0.020 0.000 1.450 688 P CA -0.607 62.508 63.100 0.024 0.000 1.026 688 P CB 1.508 33.228 31.700 0.033 0.000 1.040 689 E N 0.433 120.644 120.200 0.018 0.000 2.478 689 E HA 0.002 4.361 4.350 0.014 0.000 0.194 689 E C 0.515 177.128 176.600 0.021 0.000 1.045 689 E CA 0.023 56.433 56.400 0.016 0.000 0.868 689 E CB 0.067 29.775 29.700 0.012 0.000 0.885 689 E HN 0.359 nan 8.360 nan 0.000 0.505 690 S N 1.362 117.077 115.700 0.025 0.000 2.525 690 S HA 0.283 4.761 4.470 0.014 0.000 0.285 690 S C 0.367 174.988 174.600 0.036 0.000 1.283 690 S CA -0.174 58.044 58.200 0.031 0.000 1.072 690 S CB 0.435 63.655 63.200 0.033 0.000 0.867 690 S HN 0.316 nan 8.310 nan 0.000 0.492 691 A N 4.104 126.947 122.820 0.039 0.000 2.520 691 A HA 0.604 4.932 4.320 0.014 0.000 0.235 691 A C 1.041 178.659 177.584 0.056 0.000 1.065 691 A CA 0.419 52.482 52.037 0.043 0.000 0.764 691 A CB -0.752 18.276 19.000 0.045 0.000 1.002 691 A HN 2.063 nan 8.150 nan 0.000 0.502 692 G N -0.262 108.571 108.800 0.056 0.000 2.351 692 G HA2 0.449 4.417 3.960 0.014 0.000 0.353 692 G HA3 0.449 4.417 3.960 0.014 0.000 0.353 692 G C -1.191 173.746 174.900 0.061 0.000 1.358 692 G CA -0.238 44.910 45.100 0.081 0.000 0.995 692 G HN 1.150 nan 8.290 nan 0.000 0.611 693 Q N -0.142 119.715 119.800 0.095 0.000 2.290 693 Q HA 0.722 5.070 4.340 0.014 0.000 0.259 693 Q C -0.257 175.793 176.000 0.082 0.000 0.941 693 Q CA -0.554 55.255 55.803 0.010 0.000 0.912 693 Q CB 1.246 29.970 28.738 -0.023 0.000 1.244 693 Q HN 0.573 nan 8.270 nan 0.000 0.441 694 L N 4.328 125.534 121.223 -0.029 0.000 2.349 694 L HA 0.440 4.788 4.340 0.014 0.000 0.275 694 L C -0.781 176.063 176.870 -0.044 0.000 1.115 694 L CA -0.311 54.558 54.840 0.047 0.000 0.820 694 L CB 0.638 42.703 42.059 0.010 0.000 1.135 694 L HN 0.673 nan 8.230 nan 0.000 0.445 695 W N 4.255 125.609 121.300 0.089 0.000 2.819 695 W HA 0.518 5.186 4.660 0.013 0.000 0.337 695 W C -0.891 175.722 176.519 0.157 0.000 1.077 695 W CA -0.554 56.865 57.345 0.124 0.000 1.226 695 W CB 1.680 31.238 29.460 0.163 0.000 1.419 695 W HN 0.103 nan 8.180 nan 0.000 0.502 696 L N 3.030 124.519 121.223 0.444 0.000 2.305 696 L HA 0.762 5.110 4.340 0.014 0.000 0.284 696 L C -0.437 176.733 176.870 0.499 0.000 1.013 696 L CA 0.073 55.150 54.840 0.394 0.000 0.819 696 L CB 1.320 43.542 42.059 0.272 0.000 1.227 696 L HN 0.323 nan 8.230 nan 0.000 0.417 697 T N 5.112 119.901 114.554 0.393 0.000 2.807 697 T HA 0.660 5.019 4.350 0.014 0.000 0.279 697 T C -0.593 174.287 174.700 0.301 0.000 0.993 697 T CA -0.419 61.877 62.100 0.327 0.000 0.970 697 T CB 1.522 70.527 68.868 0.229 0.000 0.950 697 T HN 0.607 nan 8.240 nan 0.000 0.441 698 V N 1.802 121.870 119.914 0.256 0.000 2.715 698 V HA 0.871 4.999 4.120 0.014 0.000 0.310 698 V C -0.730 175.459 176.094 0.157 0.000 1.054 698 V CA -1.152 61.251 62.300 0.172 0.000 0.928 698 V CB 1.791 33.658 31.823 0.073 0.000 1.007 698 V HN 0.838 nan 8.190 nan 0.000 0.437 699 R N 2.144 122.764 120.500 0.199 0.000 2.651 699 R HA 0.747 5.095 4.340 0.014 0.000 0.278 699 R C -1.678 174.773 176.300 0.252 0.000 1.010 699 R CA -0.704 55.554 56.100 0.264 0.000 0.896 699 R CB 2.663 33.104 30.300 0.235 0.000 1.211 699 R HN 0.680 nan 8.270 nan 0.000 0.456 700 V N 3.310 123.402 119.914 0.297 0.000 2.407 700 V HA 0.439 4.567 4.120 0.014 0.000 0.278 700 V C -0.233 175.982 176.094 0.202 0.000 1.037 700 V CA -0.584 61.855 62.300 0.233 0.000 0.900 700 V CB 1.623 33.584 31.823 0.229 0.000 0.983 700 V HN 0.439 nan 8.190 nan 0.000 0.459 701 V N 4.654 124.656 119.914 0.148 0.000 2.769 701 V HA 0.424 4.552 4.120 0.014 0.000 0.312 701 V C -0.369 175.797 176.094 0.121 0.000 1.061 701 V CA -0.788 61.583 62.300 0.118 0.000 0.931 701 V CB 2.128 33.997 31.823 0.076 0.000 1.010 701 V HN 0.886 nan 8.190 nan 0.000 0.433 702 Q N 4.446 124.326 119.800 0.134 0.000 2.430 702 Q HA 0.279 4.627 4.340 0.014 0.000 0.245 702 Q C -1.801 174.234 176.000 0.057 0.000 1.021 702 Q CA -1.760 54.111 55.803 0.113 0.000 0.867 702 Q CB 1.901 30.724 28.738 0.142 0.000 1.210 702 Q HN 0.478 nan 8.270 nan 0.000 0.487 703 P HA -0.166 nan 4.420 nan 0.000 0.217 703 P C -0.513 176.786 177.300 -0.001 0.000 1.150 703 P CA 1.166 64.277 63.100 0.019 0.000 0.832 703 P CB 0.381 32.092 31.700 0.019 0.000 0.787 704 N N -0.783 117.911 118.700 -0.011 0.000 2.487 704 N HA 0.444 5.192 4.740 0.014 0.000 0.292 704 N C -0.271 175.191 175.510 -0.081 0.000 1.108 704 N CA -0.675 52.352 53.050 -0.038 0.000 0.956 704 N CB 0.838 39.303 38.487 -0.036 0.000 1.176 704 N HN -0.056 nan 8.380 nan 0.000 0.484 705 A N 0.548 123.313 122.820 -0.092 0.000 2.406 705 A HA 0.443 4.771 4.320 0.014 0.000 0.243 705 A C 0.543 178.001 177.584 -0.209 0.000 1.082 705 A CA -0.012 51.936 52.037 -0.147 0.000 0.786 705 A CB -0.019 18.921 19.000 -0.101 0.000 1.029 705 A HN 0.704 nan 8.150 nan 0.000 0.495 706 T N -3.104 111.239 114.554 -0.352 0.000 2.742 706 T HA 0.624 4.982 4.350 0.014 0.000 0.282 706 T C 1.020 175.537 174.700 -0.304 0.000 1.025 706 T CA 0.049 61.912 62.100 -0.395 0.000 1.020 706 T CB 1.067 69.463 68.868 -0.787 0.000 1.317 706 T HN 1.400 nan 8.240 nan 0.000 0.538 707 A N -0.016 122.715 122.820 -0.149 0.000 2.070 707 A HA 0.067 4.396 4.320 0.014 0.000 0.220 707 A C 1.662 179.380 177.584 0.223 0.000 1.159 707 A CA 1.307 53.384 52.037 0.067 0.000 0.656 707 A CB -0.934 18.166 19.000 0.167 0.000 0.800 707 A HN 0.923 nan 8.150 nan 0.000 0.453 708 W N -0.867 120.504 121.300 0.118 0.000 2.870 708 W HA 0.436 5.105 4.660 0.014 0.000 0.358 708 W C -0.197 176.295 176.519 -0.045 0.000 1.043 708 W CA 0.447 57.826 57.345 0.057 0.000 1.692 708 W CB -0.979 28.499 29.460 0.031 0.000 1.100 708 W HN 0.425 nan 8.180 nan 0.000 0.557 709 S N -0.189 115.173 115.700 -0.564 0.000 2.596 709 S HA 0.422 4.900 4.470 0.014 0.000 0.270 709 S C -0.985 173.419 174.600 -0.326 0.000 1.155 709 S CA -0.782 57.123 58.200 -0.492 0.000 0.827 709 S CB 2.713 65.290 63.200 -1.038 0.000 1.130 709 S HN 0.114 nan 8.310 nan 0.000 0.467 710 E N 0.494 120.606 120.200 -0.147 0.000 2.318 710 E HA 0.566 4.924 4.350 0.014 0.000 0.265 710 E C 0.264 176.836 176.600 -0.048 0.000 1.069 710 E CA -0.751 55.608 56.400 -0.068 0.000 0.893 710 E CB 1.315 31.017 29.700 0.003 0.000 1.076 710 E HN 0.864 nan 8.360 nan 0.000 0.414 711 A N 0.731 123.527 122.820 -0.039 0.000 2.540 711 A HA 0.362 4.690 4.320 0.014 0.000 0.239 711 A C 1.121 178.716 177.584 0.017 0.000 1.061 711 A CA 0.888 52.914 52.037 -0.019 0.000 0.758 711 A CB -0.402 18.586 19.000 -0.020 0.000 0.991 711 A HN 0.812 nan 8.150 nan 0.000 0.502 712 G N 0.556 109.377 108.800 0.035 0.000 2.176 712 G HA2 -0.227 3.741 3.960 0.014 0.000 0.232 712 G HA3 -0.227 3.741 3.960 0.014 0.000 0.232 712 G C 0.230 175.177 174.900 0.078 0.000 0.986 712 G CA 0.579 45.702 45.100 0.037 0.000 0.643 712 G HN 1.699 nan 8.290 nan 0.000 0.522 713 H N 0.770 119.851 119.070 0.018 0.000 3.034 713 H HA 0.443 5.007 4.556 0.013 0.000 0.324 713 H C 0.746 176.158 175.328 0.140 0.000 1.015 713 H CA 0.329 56.420 56.048 0.071 0.000 1.429 713 H CB 0.165 29.955 29.762 0.047 0.000 1.429 713 H HN 0.297 nan 8.280 nan 0.000 0.585 714 I N 4.840 125.162 120.570 -0.413 0.000 2.312 714 I HA 0.028 4.207 4.170 0.014 0.000 0.291 714 I C 0.983 176.967 176.117 -0.221 0.000 1.031 714 I CA 0.066 61.262 61.300 -0.173 0.000 1.293 714 I CB 1.317 39.276 38.000 -0.069 0.000 1.403 714 I HN 0.759 nan 8.210 nan 0.000 0.484 715 S N 4.315 120.106 115.700 0.151 0.000 2.503 715 S HA 0.542 5.021 4.470 0.014 0.000 0.215 715 S C 0.523 175.412 174.600 0.480 0.000 1.003 715 S CA 0.047 58.491 58.200 0.407 0.000 0.910 715 S CB 0.488 64.042 63.200 0.590 0.000 0.790 715 S HN 0.710 nan 8.310 nan 0.000 0.514 716 A N 0.328 123.471 122.820 0.538 0.000 2.597 716 A HA 0.649 4.977 4.320 0.014 0.000 0.292 716 A C -1.796 176.188 177.584 0.667 0.000 1.057 716 A CA -0.932 51.407 52.037 0.504 0.000 0.674 716 A CB 0.261 19.594 19.000 0.555 0.000 1.278 716 A HN 0.902 nan 8.150 nan 0.000 0.416 717 W N -0.430 121.065 121.300 0.325 0.000 3.005 717 W HA 0.821 5.490 4.660 0.014 0.000 0.343 717 W C -1.069 175.515 176.519 0.109 0.000 1.243 717 W CA -0.658 56.770 57.345 0.139 0.000 1.186 717 W CB 1.197 30.709 29.460 0.086 0.000 1.453 717 W HN 1.045 nan 8.180 nan 0.000 0.575 718 Q N 0.828 120.681 119.800 0.088 0.000 2.647 718 Q HA 0.444 4.792 4.340 0.014 0.000 0.283 718 Q C -1.671 174.169 176.000 -0.266 0.000 0.943 718 Q CA -0.485 55.206 55.803 -0.187 0.000 0.813 718 Q CB 2.293 30.729 28.738 -0.502 0.000 1.477 718 Q HN 0.619 nan 8.270 nan 0.000 0.393 719 Q N 1.133 120.698 119.800 -0.392 0.000 2.456 719 Q HA 0.640 4.988 4.340 0.014 0.000 0.283 719 Q C -1.130 174.757 176.000 -0.187 0.000 1.084 719 Q CA -0.721 55.058 55.803 -0.040 0.000 0.801 719 Q CB 2.589 31.484 28.738 0.261 0.000 1.434 719 Q HN 0.618 nan 8.270 nan 0.000 0.419 720 W N 0.632 122.094 121.300 0.269 0.000 3.107 720 W HA 0.474 5.141 4.660 0.013 0.000 0.331 720 W C -0.390 176.071 176.519 -0.097 0.000 1.204 720 W CA -0.730 56.676 57.345 0.102 0.000 1.184 720 W CB 1.781 31.250 29.460 0.016 0.000 1.421 720 W HN 0.385 nan 8.180 nan 0.000 0.544 721 R N 1.618 121.984 120.500 -0.224 0.000 2.308 721 R HA 0.474 4.822 4.340 0.014 0.000 0.305 721 R C 0.410 176.542 176.300 -0.280 0.000 1.053 721 R CA -0.200 55.482 56.100 -0.697 0.000 0.957 721 R CB 1.146 30.986 30.300 -0.766 0.000 1.022 721 R HN 0.293 nan 8.270 nan 0.000 0.461 722 L N 1.329 122.395 121.223 -0.262 0.000 2.793 722 L HA 0.539 4.887 4.340 0.014 0.000 0.188 722 L C 0.640 177.411 176.870 -0.165 0.000 1.949 722 L CA -0.977 53.772 54.840 -0.151 0.000 2.556 722 L CB -0.074 41.932 42.059 -0.088 0.000 2.898 722 L HN 0.583 nan 8.230 nan 0.000 0.621 723 A N 0.216 122.969 122.820 -0.112 0.000 2.425 723 A HA 0.232 4.560 4.320 0.014 0.000 0.242 723 A C -0.330 177.192 177.584 -0.102 0.000 1.077 723 A CA 0.159 52.139 52.037 -0.095 0.000 0.781 723 A CB 0.214 19.177 19.000 -0.061 0.000 1.020 723 A HN 0.611 nan 8.150 nan 0.000 0.494 724 E N 0.873 121.022 120.200 -0.086 0.000 2.234 724 E HA 0.287 4.645 4.350 0.014 0.000 0.266 724 E C -1.355 175.226 176.600 -0.032 0.000 0.877 724 E CA -0.738 55.620 56.400 -0.070 0.000 0.758 724 E CB 0.850 30.499 29.700 -0.086 0.000 1.170 724 E HN 0.720 nan 8.360 nan 0.000 0.415 725 N N 5.908 124.602 118.700 -0.009 0.000 2.609 725 N HA 0.235 4.983 4.740 0.014 0.000 0.234 725 N C -0.367 175.151 175.510 0.014 0.000 1.001 725 N CA -0.318 52.734 53.050 0.003 0.000 0.926 725 N CB 0.969 39.464 38.487 0.013 0.000 1.130 725 N HN 0.431 nan 8.380 nan 0.000 0.510 726 L N 0.828 122.058 121.223 0.012 0.000 2.453 726 L HA 0.072 4.420 4.340 0.014 0.000 0.272 726 L C 1.289 178.176 176.870 0.028 0.000 1.182 726 L CA 0.035 54.888 54.840 0.022 0.000 0.858 726 L CB 0.510 42.581 42.059 0.020 0.000 1.120 726 L HN 0.398 nan 8.230 nan 0.000 0.474 727 S N 1.796 117.519 115.700 0.038 0.000 2.481 727 S HA 0.231 4.709 4.470 0.014 0.000 0.276 727 S C 0.620 175.241 174.600 0.034 0.000 1.247 727 S CA -0.823 57.400 58.200 0.039 0.000 1.053 727 S CB 0.744 63.973 63.200 0.048 0.000 0.925 727 S HN 0.462 nan 8.310 nan 0.000 0.491 728 V N 2.343 122.274 119.914 0.029 0.000 3.380 728 V HA 0.321 4.449 4.120 0.014 0.000 0.307 728 V C 0.458 176.566 176.094 0.025 0.000 1.434 728 V CA -0.319 61.996 62.300 0.025 0.000 1.075 728 V CB -0.614 31.221 31.823 0.019 0.000 0.954 728 V HN 0.755 nan 8.190 nan 0.000 0.444 729 T N 2.870 117.440 114.554 0.028 0.000 2.834 729 T HA 0.399 4.757 4.350 0.014 0.000 0.298 729 T C -0.088 174.628 174.700 0.027 0.000 0.966 729 T CA -0.078 62.038 62.100 0.026 0.000 1.141 729 T CB 1.449 70.334 68.868 0.028 0.000 0.905 729 T HN 0.266 nan 8.240 nan 0.000 0.535 730 L N 5.700 126.935 121.223 0.021 0.000 2.385 730 L HA 0.237 4.585 4.340 0.014 0.000 0.281 730 L C -1.596 175.285 176.870 0.018 0.000 1.106 730 L CA -1.649 53.202 54.840 0.018 0.000 0.856 730 L CB 0.408 42.475 42.059 0.013 0.000 1.186 730 L HN 0.557 nan 8.230 nan 0.000 0.453 731 P HA 0.082 nan 4.420 nan 0.000 0.268 731 P C -0.616 176.690 177.300 0.010 0.000 1.208 731 P CA -0.387 62.726 63.100 0.022 0.000 0.777 731 P CB 0.524 32.240 31.700 0.026 0.000 0.875 732 A N 2.235 125.064 122.820 0.015 0.000 2.484 732 A HA 0.445 4.774 4.320 0.014 0.000 0.268 732 A C 0.770 178.329 177.584 -0.041 0.000 1.114 732 A CA -0.073 51.966 52.037 0.004 0.000 0.780 732 A CB -0.770 18.250 19.000 0.034 0.000 1.061 732 A HN 0.693 nan 8.150 nan 0.000 0.505 733 A N 3.594 126.366 122.820 -0.080 0.000 2.531 733 A HA 0.478 4.806 4.320 0.014 0.000 0.236 733 A C 0.994 178.343 177.584 -0.392 0.000 1.062 733 A CA 0.458 52.401 52.037 -0.157 0.000 0.760 733 A CB -0.208 18.721 19.000 -0.119 0.000 0.995 733 A HN 1.792 nan 8.150 nan 0.000 0.501 734 S N 1.103 116.573 115.700 -0.382 0.000 2.617 734 S HA 0.526 5.004 4.470 0.014 0.000 0.283 734 S C -0.374 173.919 174.600 -0.511 0.000 1.189 734 S CA -0.635 57.206 58.200 -0.599 0.000 1.036 734 S CB 0.601 63.723 63.200 -0.130 0.000 1.014 734 S HN 0.714 nan 8.310 nan 0.000 0.522 735 H N 0.347 119.432 119.070 0.025 0.000 2.452 735 H HA 0.778 5.342 4.556 0.014 0.000 0.240 735 H C -0.011 175.333 175.328 0.026 0.000 1.498 735 H CA -0.144 55.917 56.048 0.022 0.000 1.142 735 H CB -0.543 29.231 29.762 0.020 0.000 1.599 735 H HN 0.932 nan 8.280 nan 0.000 0.527 736 A N 1.561 124.447 122.820 0.109 0.000 2.585 736 A HA 0.446 4.774 4.320 0.014 0.000 0.299 736 A C -1.691 175.931 177.584 0.063 0.000 1.047 736 A CA -0.811 51.285 52.037 0.098 0.000 0.723 736 A CB 1.208 20.285 19.000 0.129 0.000 1.275 736 A HN 0.335 nan 8.150 nan 0.000 0.408 737 I N 2.089 122.697 120.570 0.063 0.000 2.465 737 I HA 0.720 4.898 4.170 0.014 0.000 0.291 737 I C -2.822 173.338 176.117 0.071 0.000 1.014 737 I CA -2.400 58.929 61.300 0.049 0.000 1.093 737 I CB 1.611 39.629 38.000 0.031 0.000 1.267 737 I HN 0.352 nan 8.210 nan 0.000 0.431 738 P HA 0.206 nan 4.420 nan 0.000 0.269 738 P C -1.282 176.082 177.300 0.107 0.000 1.209 738 P CA 0.368 63.520 63.100 0.087 0.000 0.776 738 P CB 0.234 31.950 31.700 0.026 0.000 0.876 739 H N 1.978 121.084 119.070 0.061 0.000 2.519 739 H HA 0.463 5.027 4.556 0.014 0.000 0.316 739 H C -0.927 174.440 175.328 0.065 0.000 1.065 739 H CA -0.801 55.277 56.048 0.049 0.000 1.264 739 H CB 0.418 30.207 29.762 0.046 0.000 1.413 739 H HN 0.172 nan 8.280 nan 0.000 0.465 740 L N 5.109 126.093 121.223 -0.398 0.000 2.276 740 L HA 0.398 4.747 4.340 0.014 0.000 0.286 740 L C -0.651 176.023 176.870 -0.328 0.000 1.061 740 L CA 0.235 54.929 54.840 -0.243 0.000 0.807 740 L CB 1.187 43.125 42.059 -0.203 0.000 1.177 740 L HN 0.718 nan 8.230 nan 0.000 0.429 741 T N 3.738 118.275 114.554 -0.029 0.000 2.829 741 T HA 0.630 4.988 4.350 0.014 0.000 0.280 741 T C -0.548 174.224 174.700 0.120 0.000 0.999 741 T CA -0.350 61.787 62.100 0.061 0.000 0.983 741 T CB 1.245 70.207 68.868 0.157 0.000 0.968 741 T HN 0.721 nan 8.240 nan 0.000 0.446 742 T N 2.327 116.946 114.554 0.107 0.000 2.887 742 T HA 0.769 5.127 4.350 0.014 0.000 0.288 742 T C -0.285 174.434 174.700 0.032 0.000 1.021 742 T CA -0.798 61.373 62.100 0.117 0.000 1.000 742 T CB 1.601 70.576 68.868 0.180 0.000 1.034 742 T HN 0.681 nan 8.240 nan 0.000 0.467 743 S N 0.777 116.453 115.700 -0.040 0.000 2.720 743 S HA 0.515 4.993 4.470 0.014 0.000 0.287 743 S C 0.364 174.895 174.600 -0.115 0.000 1.168 743 S CA -0.729 57.439 58.200 -0.053 0.000 0.832 743 S CB 1.529 64.709 63.200 -0.034 0.000 1.166 743 S HN 0.387 nan 8.310 nan 0.000 0.493 744 E N 0.185 120.335 120.200 -0.084 0.000 2.268 744 E HA 0.123 4.481 4.350 0.014 0.000 0.195 744 E C 1.248 177.768 176.600 -0.134 0.000 0.995 744 E CA 1.153 57.493 56.400 -0.101 0.000 0.836 744 E CB -0.351 29.313 29.700 -0.058 0.000 0.763 744 E HN 0.694 nan 8.360 nan 0.000 0.491 745 M N -0.307 119.224 119.600 -0.114 0.000 2.367 745 M HA 0.098 4.586 4.480 0.014 0.000 0.256 745 M C -0.344 175.876 176.300 -0.133 0.000 1.091 745 M CA 0.338 55.576 55.300 -0.103 0.000 1.049 745 M CB 0.919 33.494 32.600 -0.042 0.000 1.406 745 M HN -0.231 nan 8.290 nan 0.000 0.498 746 D N -1.248 119.041 120.400 -0.185 0.000 2.622 746 D HA 0.341 4.989 4.640 0.014 0.000 0.255 746 D C -1.463 174.701 176.300 -0.227 0.000 1.246 746 D CA -0.423 53.486 54.000 -0.153 0.000 0.795 746 D CB 1.999 42.813 40.800 0.023 0.000 1.369 746 D HN -0.103 nan 8.370 nan 0.000 0.425 747 F N 0.838 120.869 119.950 0.134 0.000 2.449 747 F HA 0.403 4.938 4.527 0.013 0.000 0.342 747 F C 0.023 175.946 175.800 0.206 0.000 1.127 747 F CA -0.714 57.356 58.000 0.117 0.000 0.975 747 F CB 1.456 40.486 39.000 0.050 0.000 1.146 747 F HN 0.091 nan 8.300 nan 0.000 0.444 748 C N 4.503 124.005 119.300 0.336 0.000 2.417 748 C HA 0.772 5.240 4.460 0.014 0.000 0.324 748 C C -0.262 174.898 174.990 0.283 0.000 1.240 748 C CA -0.888 58.311 59.018 0.302 0.000 1.632 748 C CB 0.856 28.708 27.740 0.186 0.000 2.241 748 C HN 0.594 nan 8.230 nan 0.000 0.499 749 I N 2.240 123.030 120.570 0.367 0.000 2.545 749 I HA 0.509 4.687 4.170 0.014 0.000 0.292 749 I C -0.214 176.164 176.117 0.435 0.000 1.040 749 I CA -0.114 61.384 61.300 0.330 0.000 1.068 749 I CB 1.607 39.779 38.000 0.287 0.000 1.251 749 I HN 0.688 nan 8.210 nan 0.000 0.424 750 E N 5.772 126.177 120.200 0.342 0.000 2.248 750 E HA 0.735 5.093 4.350 0.014 0.000 0.267 750 E C -1.934 174.846 176.600 0.300 0.000 0.877 750 E CA -0.799 55.780 56.400 0.297 0.000 0.759 750 E CB 2.154 31.955 29.700 0.169 0.000 1.182 750 E HN 0.499 nan 8.360 nan 0.000 0.418 751 L N 5.061 126.467 121.223 0.306 0.000 2.596 751 L HA 0.508 4.856 4.340 0.014 0.000 0.265 751 L C 0.268 177.239 176.870 0.168 0.000 0.962 751 L CA 0.791 55.785 54.840 0.256 0.000 0.891 751 L CB 1.298 43.573 42.059 0.360 0.000 1.248 751 L HN 0.819 nan 8.230 nan 0.000 0.410 752 G N 4.555 113.417 108.800 0.105 0.000 2.685 752 G HA2 -0.453 3.515 3.960 0.014 0.000 0.329 752 G HA3 -0.453 3.515 3.960 0.014 0.000 0.329 752 G C 0.634 175.550 174.900 0.025 0.000 1.271 752 G CA 0.742 45.877 45.100 0.058 0.000 1.003 752 G HN 1.271 nan 8.290 nan 0.000 0.549 753 N N 1.676 120.382 118.700 0.009 0.000 2.370 753 N HA 0.118 4.866 4.740 0.014 0.000 0.198 753 N C 0.370 175.844 175.510 -0.061 0.000 1.156 753 N CA 0.840 53.875 53.050 -0.025 0.000 0.839 753 N CB 0.137 38.608 38.487 -0.028 0.000 0.989 753 N HN 0.727 nan 8.380 nan 0.000 0.468 754 K N 0.058 120.416 120.400 -0.070 0.000 2.281 754 K HA 0.554 4.882 4.320 0.014 0.000 0.242 754 K C -0.429 176.013 176.600 -0.264 0.000 0.971 754 K CA -0.653 55.479 56.287 -0.259 0.000 0.834 754 K CB 2.170 34.409 32.500 -0.436 0.000 1.181 754 K HN -0.031 nan 8.250 nan 0.000 0.435 755 R N 0.928 121.172 120.500 -0.427 0.000 2.668 755 R HA 0.404 4.753 4.340 0.014 0.000 0.272 755 R C -1.372 174.811 176.300 -0.195 0.000 1.019 755 R CA -0.862 55.175 56.100 -0.106 0.000 0.894 755 R CB 1.738 32.058 30.300 0.034 0.000 1.228 755 R HN 0.558 nan 8.270 nan 0.000 0.460 756 W N 2.053 123.479 121.300 0.210 0.000 2.785 756 W HA 0.360 5.028 4.660 0.013 0.000 0.333 756 W C -0.510 176.112 176.519 0.172 0.000 1.062 756 W CA -0.570 56.837 57.345 0.103 0.000 1.233 756 W CB 2.293 31.792 29.460 0.065 0.000 1.413 756 W HN 0.397 nan 8.180 nan 0.000 0.489 757 Q N 2.622 122.552 119.800 0.217 0.000 2.310 757 Q HA 0.422 4.770 4.340 0.014 0.000 0.270 757 Q C -1.886 174.052 176.000 -0.103 0.000 1.025 757 Q CA -0.490 55.437 55.803 0.207 0.000 0.772 757 Q CB 1.347 30.293 28.738 0.347 0.000 1.253 757 Q HN 0.364 nan 8.270 nan 0.000 0.450 758 F N 3.075 123.113 119.950 0.147 0.000 2.388 758 F HA 0.295 4.830 4.527 0.013 0.000 0.358 758 F C 0.592 176.434 175.800 0.070 0.000 1.122 758 F CA -0.836 57.222 58.000 0.095 0.000 1.056 758 F CB 1.155 40.226 39.000 0.118 0.000 1.155 758 F HN 0.498 nan 8.300 nan 0.000 0.461 759 N N 4.086 122.891 118.700 0.175 0.000 2.431 759 N HA 0.043 4.791 4.740 0.014 0.000 0.265 759 N C 0.988 176.530 175.510 0.053 0.000 1.184 759 N CA 0.029 53.136 53.050 0.094 0.000 0.943 759 N CB 0.667 39.213 38.487 0.099 0.000 1.080 759 N HN 0.698 nan 8.380 nan 0.000 0.477 760 R N 1.710 122.170 120.500 -0.066 0.000 2.237 760 R HA -0.123 4.225 4.340 0.014 0.000 0.219 760 R C 1.721 177.975 176.300 -0.076 0.000 1.080 760 R CA 0.854 56.872 56.100 -0.137 0.000 0.995 760 R CB 0.066 30.155 30.300 -0.351 0.000 0.875 760 R HN 0.658 nan 8.270 nan 0.000 0.462 761 Q N 0.890 120.665 119.800 -0.042 0.000 2.259 761 Q HA -0.039 4.309 4.340 0.014 0.000 0.201 761 Q C 1.714 177.707 176.000 -0.011 0.000 0.938 761 Q CA 1.887 57.674 55.803 -0.027 0.000 0.872 761 Q CB 0.222 28.957 28.738 -0.005 0.000 0.971 761 Q HN 0.307 nan 8.270 nan 0.000 0.494 762 S N -1.151 114.564 115.700 0.026 0.000 2.486 762 S HA 0.242 4.720 4.470 0.014 0.000 0.220 762 S C 1.431 175.958 174.600 -0.123 0.000 1.011 762 S CA 0.744 58.973 58.200 0.049 0.000 0.921 762 S CB 0.056 63.392 63.200 0.227 0.000 0.785 762 S HN 0.640 nan 8.310 nan 0.000 0.517 763 G N 0.626 109.373 108.800 -0.089 0.000 2.143 763 G HA2 -0.235 3.733 3.960 0.014 0.000 0.248 763 G HA3 -0.235 3.733 3.960 0.014 0.000 0.248 763 G C -0.133 174.703 174.900 -0.107 0.000 0.991 763 G CA 0.320 45.357 45.100 -0.105 0.000 0.689 763 G HN 0.537 nan 8.290 nan 0.000 0.522 764 F N -1.374 118.755 119.950 0.298 0.000 2.556 764 F HA 0.663 5.198 4.527 0.014 0.000 0.327 764 F C 0.471 176.306 175.800 0.058 0.000 1.059 764 F CA -1.494 56.638 58.000 0.220 0.000 0.953 764 F CB 1.478 40.564 39.000 0.144 0.000 1.227 764 F HN 0.013 nan 8.300 nan 0.000 0.478 765 L N 2.063 123.323 121.223 0.061 0.000 2.485 765 L HA 0.190 4.538 4.340 0.014 0.000 0.279 765 L C 0.942 177.687 176.870 -0.207 0.000 1.124 765 L CA 0.426 54.935 54.840 -0.552 0.000 0.888 765 L CB 0.354 42.055 42.059 -0.595 0.000 1.217 765 L HN 0.704 nan 8.230 nan 0.000 0.464 766 S N 2.491 118.084 115.700 -0.179 0.000 2.503 766 S HA 0.259 4.737 4.470 0.014 0.000 0.215 766 S C 0.591 175.068 174.600 -0.206 0.000 1.003 766 S CA -0.108 58.033 58.200 -0.097 0.000 0.910 766 S CB 0.087 63.283 63.200 -0.008 0.000 0.790 766 S HN 0.682 nan 8.310 nan 0.000 0.514 767 Q N -0.180 119.431 119.800 -0.314 0.000 2.578 767 Q HA 0.686 5.034 4.340 0.014 0.000 0.284 767 Q C -2.019 173.609 176.000 -0.620 0.000 0.960 767 Q CA -0.324 55.146 55.803 -0.554 0.000 0.809 767 Q CB 1.695 29.946 28.738 -0.812 0.000 1.462 767 Q HN 0.428 nan 8.270 nan 0.000 0.392 768 M N 1.160 120.278 119.600 -0.804 0.000 2.470 768 M HA 0.569 5.058 4.480 0.014 0.000 0.285 768 M C -1.503 174.359 176.300 -0.731 0.000 1.213 768 M CA -0.470 54.435 55.300 -0.657 0.000 0.901 768 M CB 2.342 34.544 32.600 -0.664 0.000 1.718 768 M HN 0.455 nan 8.290 nan 0.000 0.469 769 W N 3.160 124.227 121.300 -0.389 0.000 2.785 769 W HA 0.678 5.346 4.660 0.014 0.000 0.333 769 W C -1.399 174.927 176.519 -0.322 0.000 1.062 769 W CA -0.614 56.563 57.345 -0.279 0.000 1.233 769 W CB 1.720 31.051 29.460 -0.215 0.000 1.413 769 W HN 0.488 nan 8.180 nan 0.000 0.489 770 I N 1.868 122.421 120.570 -0.028 0.000 2.447 770 I HA 0.289 4.467 4.170 0.014 0.000 0.287 770 I C 0.906 177.009 176.117 -0.024 0.000 1.023 770 I CA -0.530 60.721 61.300 -0.082 0.000 1.083 770 I CB 1.663 39.587 38.000 -0.127 0.000 1.245 770 I HN 0.699 nan 8.210 nan 0.000 0.434 771 G N 4.351 113.134 108.800 -0.028 0.000 2.395 771 G HA2 -0.278 3.690 3.960 0.014 0.000 0.300 771 G HA3 -0.278 3.690 3.960 0.014 0.000 0.300 771 G C 0.348 175.257 174.900 0.014 0.000 0.998 771 G CA 0.618 45.706 45.100 -0.019 0.000 1.046 771 G HN 0.898 nan 8.290 nan 0.000 0.513 772 D N -2.595 117.837 120.400 0.054 0.000 3.028 772 D HA -0.147 4.502 4.640 0.014 0.000 0.207 772 D C 0.630 177.076 176.300 0.243 0.000 1.100 772 D CA 2.015 56.072 54.000 0.096 0.000 0.995 772 D CB -0.820 39.975 40.800 -0.008 0.000 1.108 772 D HN 0.703 nan 8.370 nan 0.000 0.421 773 K N 1.052 121.565 120.400 0.189 0.000 2.244 773 K HA 0.316 4.644 4.320 0.014 0.000 0.260 773 K C 0.272 176.864 176.600 -0.014 0.000 0.951 773 K CA -0.543 55.803 56.287 0.099 0.000 0.826 773 K CB 1.597 34.102 32.500 0.008 0.000 1.108 773 K HN -0.128 nan 8.250 nan 0.000 0.433 774 K N 2.759 123.064 120.400 -0.159 0.000 2.350 774 K HA 0.033 4.361 4.320 0.014 0.000 0.279 774 K C 0.390 176.800 176.600 -0.317 0.000 1.027 774 K CA -0.106 55.874 56.287 -0.512 0.000 0.969 774 K CB 0.842 33.081 32.500 -0.435 0.000 0.954 774 K HN 0.537 nan 8.250 nan 0.000 0.474 775 Q N 1.255 120.837 119.800 -0.363 0.000 2.392 775 Q HA 0.184 4.532 4.340 0.014 0.000 0.219 775 Q C 0.513 176.442 176.000 -0.118 0.000 0.895 775 Q CA 0.457 56.181 55.803 -0.132 0.000 0.929 775 Q CB 0.416 29.136 28.738 -0.031 0.000 1.077 775 Q HN 0.491 nan 8.270 nan 0.000 0.532 776 L N 0.442 121.519 121.223 -0.242 0.000 2.334 776 L HA 0.382 4.730 4.340 0.014 0.000 0.273 776 L C 1.045 177.790 176.870 -0.209 0.000 1.013 776 L CA -0.424 54.299 54.840 -0.195 0.000 0.816 776 L CB 1.452 43.389 42.059 -0.204 0.000 1.278 776 L HN -0.105 nan 8.230 nan 0.000 0.431 777 L N 0.222 121.314 121.223 -0.217 0.000 2.470 777 L HA 0.176 4.524 4.340 0.014 0.000 0.219 777 L C 0.769 177.519 176.870 -0.198 0.000 1.071 777 L CA 0.471 55.187 54.840 -0.207 0.000 0.850 777 L CB 0.369 42.295 42.059 -0.223 0.000 1.040 777 L HN 0.768 nan 8.230 nan 0.000 0.475 778 T N -2.226 112.181 114.554 -0.245 0.000 2.912 778 T HA 0.517 4.875 4.350 0.014 0.000 0.299 778 T C -2.846 171.777 174.700 -0.128 0.000 1.052 778 T CA -2.061 59.941 62.100 -0.165 0.000 0.996 778 T CB 2.416 71.214 68.868 -0.117 0.000 1.070 778 T HN -0.302 nan 8.240 nan 0.000 0.465 779 P HA 0.195 nan 4.420 nan 0.000 0.269 779 P C -0.562 176.706 177.300 -0.054 0.000 1.217 779 P CA -0.665 62.407 63.100 -0.048 0.000 0.783 779 P CB 0.285 31.995 31.700 0.017 0.000 0.898 780 L N 3.182 124.405 121.223 -0.001 0.000 2.325 780 L HA 0.263 4.611 4.340 0.014 0.000 0.284 780 L C 0.104 176.921 176.870 -0.088 0.000 1.089 780 L CA 0.575 55.443 54.840 0.046 0.000 0.836 780 L CB -0.666 41.521 42.059 0.213 0.000 1.184 780 L HN 0.279 nan 8.230 nan 0.000 0.444 781 R N 2.805 123.154 120.500 -0.252 0.000 2.837 781 R HA 0.459 4.807 4.340 0.014 0.000 0.271 781 R C -0.951 175.175 176.300 -0.289 0.000 0.993 781 R CA -1.058 54.688 56.100 -0.590 0.000 0.931 781 R CB 1.297 31.146 30.300 -0.751 0.000 1.206 781 R HN 0.545 nan 8.270 nan 0.000 0.474 782 D N 1.231 121.511 120.400 -0.201 0.000 2.400 782 D HA 0.031 4.679 4.640 0.014 0.000 0.238 782 D C -0.414 175.537 176.300 -0.583 0.000 1.157 782 D CA 0.446 54.233 54.000 -0.356 0.000 0.889 782 D CB 0.643 41.202 40.800 -0.403 0.000 1.199 782 D HN 0.213 nan 8.370 nan 0.000 0.436 783 Q N 1.105 120.372 119.800 -0.887 0.000 2.285 783 Q HA 0.331 4.679 4.340 0.014 0.000 0.269 783 Q C -1.248 174.055 176.000 -1.160 0.000 1.030 783 Q CA -0.570 54.758 55.803 -0.793 0.000 0.788 783 Q CB 0.770 29.234 28.738 -0.456 0.000 1.266 783 Q HN 0.549 nan 8.270 nan 0.000 0.438 784 F N 0.877 120.417 119.950 -0.683 0.000 2.706 784 F HA 0.199 4.734 4.527 0.013 0.000 0.313 784 F C 0.641 175.970 175.800 -0.785 0.000 1.096 784 F CA -0.129 57.349 58.000 -0.869 0.000 1.219 784 F CB 1.515 39.643 39.000 -1.453 0.000 1.051 784 F HN 0.456 nan 8.300 nan 0.000 0.568 785 T N -0.903 113.312 114.554 -0.564 0.000 2.907 785 T HA 0.774 5.132 4.350 0.014 0.000 0.290 785 T C -0.613 173.804 174.700 -0.471 0.000 1.066 785 T CA -0.985 60.709 62.100 -0.676 0.000 1.012 785 T CB 2.758 71.147 68.868 -0.799 0.000 1.184 785 T HN 0.237 nan 8.240 nan 0.000 0.522 786 R N -0.153 120.107 120.500 -0.399 0.000 2.740 786 R HA 0.754 5.102 4.340 0.014 0.000 0.273 786 R C -0.882 175.452 176.300 0.056 0.000 0.998 786 R CA -1.193 54.812 56.100 -0.158 0.000 0.900 786 R CB 1.524 31.733 30.300 -0.153 0.000 1.223 786 R HN 0.849 nan 8.270 nan 0.000 0.466 787 A N 3.676 126.521 122.820 0.042 0.000 2.515 787 A HA 0.278 4.606 4.320 0.014 0.000 0.263 787 A C -1.994 175.645 177.584 0.091 0.000 1.096 787 A CA -1.222 50.847 52.037 0.052 0.000 0.769 787 A CB -0.489 18.485 19.000 -0.044 0.000 1.040 787 A HN 0.551 nan 8.150 nan 0.000 0.505 788 P HA 0.123 nan 4.420 nan 0.000 0.264 788 P C -0.120 177.282 177.300 0.170 0.000 1.193 788 P CA 0.291 63.542 63.100 0.251 0.000 0.763 788 P CB 0.399 32.294 31.700 0.326 0.000 0.810 789 L N 2.428 123.716 121.223 0.108 0.000 2.476 789 L HA 0.127 4.475 4.340 0.014 0.000 0.255 789 L C 1.798 178.686 176.870 0.030 0.000 1.218 789 L CA -0.313 54.528 54.840 0.001 0.000 0.819 789 L CB -0.105 41.884 42.059 -0.116 0.000 1.119 789 L HN 0.309 nan 8.230 nan 0.000 0.485 790 D N 0.277 120.640 120.400 -0.062 0.000 2.178 790 D HA -0.144 4.504 4.640 0.014 0.000 0.201 790 D C 1.631 177.866 176.300 -0.109 0.000 0.980 790 D CA 1.178 55.075 54.000 -0.172 0.000 0.842 790 D CB 0.055 40.667 40.800 -0.314 0.000 0.948 790 D HN 0.468 nan 8.370 nan 0.000 0.472 791 N N 1.010 119.659 118.700 -0.085 0.000 2.309 791 N HA -0.105 4.643 4.740 0.014 0.000 0.182 791 N C 1.155 176.680 175.510 0.025 0.000 1.018 791 N CA 0.710 53.739 53.050 -0.035 0.000 0.876 791 N CB -0.125 38.330 38.487 -0.053 0.000 0.972 791 N HN 0.264 nan 8.380 nan 0.000 0.434 792 D N 0.518 120.947 120.400 0.048 0.000 2.183 792 D HA 0.033 4.681 4.640 0.014 0.000 0.203 792 D C 2.030 178.378 176.300 0.080 0.000 0.969 792 D CA 0.370 54.429 54.000 0.099 0.000 0.842 792 D CB 0.133 41.071 40.800 0.230 0.000 0.957 792 D HN 0.318 nan 8.370 nan 0.000 0.484 793 I N 0.475 121.082 120.570 0.062 0.000 2.277 793 I HA 0.018 4.196 4.170 0.014 0.000 0.243 793 I C 1.856 178.003 176.117 0.051 0.000 1.094 793 I CA 0.752 62.078 61.300 0.042 0.000 1.393 793 I CB -0.503 37.494 38.000 -0.006 0.000 1.078 793 I HN 0.067 nan 8.210 nan 0.000 0.417 794 G N 1.256 110.103 108.800 0.079 0.000 2.574 794 G HA2 -0.346 3.623 3.960 0.014 0.000 0.286 794 G HA3 -0.346 3.623 3.960 0.014 0.000 0.286 794 G C 0.697 175.764 174.900 0.279 0.000 1.212 794 G CA 0.869 46.080 45.100 0.186 0.000 0.979 794 G HN 0.541 nan 8.290 nan 0.000 0.557 795 V N -1.776 118.241 119.914 0.172 0.000 3.649 795 V HA 0.552 4.680 4.120 0.014 0.000 0.275 795 V C 1.433 177.546 176.094 0.032 0.000 1.281 795 V CA 1.375 63.718 62.300 0.070 0.000 1.143 795 V CB -0.074 31.689 31.823 -0.101 0.000 0.892 795 V HN 1.321 nan 8.190 nan 0.000 0.441 796 S N 1.024 116.745 115.700 0.034 0.000 2.558 796 S HA 0.215 4.693 4.470 0.014 0.000 0.288 796 S C -0.067 174.543 174.600 0.017 0.000 1.318 796 S CA 0.258 58.464 58.200 0.010 0.000 1.056 796 S CB 0.184 63.389 63.200 0.007 0.000 0.853 796 S HN 0.830 nan 8.310 nan 0.000 0.505 797 E N 1.245 121.449 120.200 0.008 0.000 2.383 797 E HA 0.569 4.927 4.350 0.014 0.000 0.275 797 E C 0.627 177.236 176.600 0.014 0.000 0.918 797 E CA -0.353 56.056 56.400 0.015 0.000 0.764 797 E CB 1.467 31.174 29.700 0.011 0.000 1.252 797 E HN 0.606 nan 8.360 nan 0.000 0.449 798 A N 0.906 123.741 122.820 0.024 0.000 1.915 798 A HA -0.253 4.075 4.320 0.014 0.000 0.220 798 A C 1.984 179.577 177.584 0.016 0.000 1.198 798 A CA 2.813 54.864 52.037 0.023 0.000 0.647 798 A CB -1.070 17.949 19.000 0.032 0.000 0.825 798 A HN 0.675 nan 8.150 nan 0.000 0.456 799 T N -4.383 110.179 114.554 0.014 0.000 3.100 799 T HA 0.235 4.593 4.350 0.014 0.000 0.253 799 T C 0.766 175.464 174.700 -0.003 0.000 1.118 799 T CA 0.730 62.834 62.100 0.007 0.000 1.058 799 T CB -0.070 68.803 68.868 0.009 0.000 0.953 799 T HN 0.333 nan 8.240 nan 0.000 0.515 800 R N 0.789 121.285 120.500 -0.007 0.000 3.101 800 R HA 0.364 4.712 4.340 0.014 0.000 0.242 800 R C -1.338 174.951 176.300 -0.019 0.000 1.831 800 R CA -0.552 55.537 56.100 -0.019 0.000 1.321 800 R CB 0.066 30.347 30.300 -0.031 0.000 1.512 800 R HN 0.183 nan 8.270 nan 0.000 0.568 801 I N 1.682 122.243 120.570 -0.015 0.000 2.648 801 I HA 0.037 4.215 4.170 0.014 0.000 0.284 801 I C 0.359 176.459 176.117 -0.029 0.000 1.153 801 I CA 0.064 61.354 61.300 -0.016 0.000 1.426 801 I CB 0.851 38.844 38.000 -0.012 0.000 1.381 801 I HN 0.497 nan 8.210 nan 0.000 0.571 802 D N 9.043 129.423 120.400 -0.034 0.000 2.473 802 D HA 0.291 4.939 4.640 0.014 0.000 0.226 802 D C -1.752 174.508 176.300 -0.067 0.000 1.089 802 D CA -2.205 51.766 54.000 -0.049 0.000 0.883 802 D CB 1.479 42.253 40.800 -0.043 0.000 1.029 802 D HN 0.189 nan 8.370 nan 0.000 0.517 803 P HA -0.097 nan 4.420 nan 0.000 0.228 803 P C 0.789 178.004 177.300 -0.142 0.000 1.151 803 P CA 0.561 63.607 63.100 -0.089 0.000 0.770 803 P CB 0.374 32.029 31.700 -0.075 0.000 0.786 804 N N 0.086 118.697 118.700 -0.148 0.000 2.424 804 N HA 0.047 4.795 4.740 0.014 0.000 0.178 804 N C 0.445 175.780 175.510 -0.291 0.000 1.060 804 N CA 0.038 52.958 53.050 -0.217 0.000 0.901 804 N CB -0.447 37.936 38.487 -0.173 0.000 0.979 804 N HN -0.042 nan 8.380 nan 0.000 0.451 805 A N -0.439 122.256 122.820 -0.207 0.000 2.498 805 A HA 0.071 4.399 4.320 0.014 0.000 0.239 805 A C 0.710 178.114 177.584 -0.300 0.000 1.068 805 A CA -0.344 51.576 52.037 -0.195 0.000 0.766 805 A CB -0.198 18.753 19.000 -0.082 0.000 1.003 805 A HN 0.534 nan 8.150 nan 0.000 0.497 806 W N 1.740 122.787 121.300 -0.421 0.000 2.318 806 W HA -0.205 4.463 4.660 0.013 0.000 0.313 806 W C 2.216 178.139 176.519 -0.993 0.000 1.221 806 W CA 1.854 58.690 57.345 -0.848 0.000 1.266 806 W CB -0.312 28.531 29.460 -1.028 0.000 1.150 806 W HN 0.562 nan 8.180 nan 0.000 0.496 807 V N 0.768 120.539 119.914 -0.239 0.000 2.490 807 V HA -0.249 3.879 4.120 0.014 0.000 0.250 807 V C 2.121 178.290 176.094 0.125 0.000 1.061 807 V CA 2.058 64.437 62.300 0.132 0.000 1.064 807 V CB -0.337 31.622 31.823 0.228 0.000 0.670 807 V HN 0.077 nan 8.190 nan 0.000 0.461 808 E N 0.059 120.245 120.200 -0.024 0.000 2.106 808 E HA -0.183 4.175 4.350 0.014 0.000 0.192 808 E C 2.325 178.893 176.600 -0.052 0.000 0.984 808 E CA 1.094 57.480 56.400 -0.022 0.000 0.806 808 E CB -0.280 29.386 29.700 -0.058 0.000 0.750 808 E HN 0.602 nan 8.360 nan 0.000 0.458 809 R N -0.179 120.213 120.500 -0.180 0.000 2.081 809 R HA -0.113 4.235 4.340 0.014 0.000 0.235 809 R C 2.301 178.541 176.300 -0.100 0.000 1.131 809 R CA 1.389 57.361 56.100 -0.213 0.000 0.960 809 R CB -0.215 29.836 30.300 -0.414 0.000 0.856 809 R HN 0.231 nan 8.270 nan 0.000 0.436 810 W N 1.371 122.640 121.300 -0.051 0.000 2.355 810 W HA -0.081 4.587 4.660 0.014 0.000 0.309 810 W C 1.927 178.440 176.519 -0.010 0.000 1.206 810 W CA 0.797 58.028 57.345 -0.189 0.000 1.284 810 W CB -0.719 28.785 29.460 0.073 0.000 1.145 810 W HN 0.121 nan 8.180 nan 0.000 0.502 811 K N 0.068 120.697 120.400 0.382 0.000 2.002 811 K HA -0.097 4.231 4.320 0.014 0.000 0.209 811 K C 2.302 178.972 176.600 0.117 0.000 1.048 811 K CA 1.859 58.320 56.287 0.289 0.000 0.930 811 K CB -0.680 31.926 32.500 0.177 0.000 0.714 811 K HN -0.035 nan 8.250 nan 0.000 0.438 812 A N 1.096 123.954 122.820 0.064 0.000 1.978 812 A HA -0.144 4.184 4.320 0.014 0.000 0.220 812 A C 2.150 179.736 177.584 0.005 0.000 1.170 812 A CA 1.969 54.024 52.037 0.031 0.000 0.636 812 A CB -0.601 18.404 19.000 0.009 0.000 0.810 812 A HN 0.375 nan 8.150 nan 0.000 0.448 813 A N -2.102 120.698 122.820 -0.034 0.000 2.238 813 A HA 0.418 4.747 4.320 0.014 0.000 0.208 813 A C 1.789 179.301 177.584 -0.120 0.000 1.177 813 A CA 1.158 53.178 52.037 -0.028 0.000 0.804 813 A CB -0.850 18.113 19.000 -0.063 0.000 0.823 813 A HN 1.889 nan 8.150 nan 0.000 0.482 814 G N -1.432 107.210 108.800 -0.264 0.000 2.157 814 G HA2 -0.318 3.651 3.960 0.014 0.000 0.248 814 G HA3 -0.318 3.651 3.960 0.014 0.000 0.248 814 G C 0.671 175.568 174.900 -0.003 0.000 0.979 814 G CA 0.698 45.441 45.100 -0.595 0.000 0.650 814 G HN 0.734 nan 8.290 nan 0.000 0.529 815 H N -1.307 117.766 119.070 0.005 0.000 2.352 815 H HA -0.118 4.446 4.556 0.014 0.000 0.299 815 H C 2.189 177.525 175.328 0.013 0.000 1.097 815 H CA 1.708 57.786 56.048 0.049 0.000 1.311 815 H CB 0.036 29.773 29.762 -0.041 0.000 1.377 815 H HN 0.600 nan 8.280 nan 0.000 0.504 816 Y N 0.789 121.223 120.300 0.222 0.000 2.519 816 Y HA -0.092 4.466 4.550 0.013 0.000 0.287 816 Y C 2.486 178.476 175.900 0.149 0.000 1.128 816 Y CA 0.654 58.844 58.100 0.150 0.000 1.282 816 Y CB 0.263 38.792 38.460 0.115 0.000 1.027 816 Y HN 0.360 nan 8.280 nan 0.000 0.551 817 Q N -0.013 119.958 119.800 0.286 0.000 2.247 817 Q HA 0.331 4.679 4.340 0.014 0.000 0.211 817 Q C 0.529 176.707 176.000 0.297 0.000 0.861 817 Q CA 0.058 56.019 55.803 0.263 0.000 0.949 817 Q CB 0.252 29.131 28.738 0.236 0.000 1.115 817 Q HN 0.182 nan 8.270 nan 0.000 0.507 818 A N 2.537 125.552 122.820 0.325 0.000 2.511 818 A HA 0.145 4.473 4.320 0.014 0.000 0.242 818 A C -0.048 177.833 177.584 0.495 0.000 1.069 818 A CA -0.086 52.199 52.037 0.412 0.000 0.763 818 A CB 0.105 19.380 19.000 0.459 0.000 1.001 818 A HN 0.495 nan 8.150 nan 0.000 0.498 819 E N 1.721 122.132 120.200 0.351 0.000 2.212 819 E HA 0.630 4.988 4.350 0.014 0.000 0.268 819 E C -0.194 176.342 176.600 -0.108 0.000 0.902 819 E CA -0.770 55.773 56.400 0.238 0.000 0.779 819 E CB 1.607 31.417 29.700 0.183 0.000 1.172 819 E HN 0.740 nan 8.360 nan 0.000 0.409 820 A N 1.892 124.517 122.820 -0.326 0.000 2.507 820 A HA 0.434 4.763 4.320 0.014 0.000 0.235 820 A C -0.118 177.280 177.584 -0.310 0.000 1.070 820 A CA 0.401 51.940 52.037 -0.830 0.000 0.768 820 A CB 0.125 18.941 19.000 -0.306 0.000 1.011 820 A HN 0.741 nan 8.150 nan 0.000 0.502 821 A N 1.681 124.321 122.820 -0.300 0.000 2.375 821 A HA 0.556 4.884 4.320 0.014 0.000 0.295 821 A C -0.669 176.823 177.584 -0.154 0.000 1.066 821 A CA -0.553 51.404 52.037 -0.133 0.000 0.722 821 A CB 0.755 19.699 19.000 -0.093 0.000 1.206 821 A HN 1.397 nan 8.150 nan 0.000 0.435 822 L N 3.415 124.533 121.223 -0.174 0.000 2.418 822 L HA 0.301 4.650 4.340 0.014 0.000 0.274 822 L C 0.469 177.194 176.870 -0.241 0.000 1.135 822 L CA 0.362 54.996 54.840 -0.344 0.000 0.870 822 L CB 0.139 42.013 42.059 -0.309 0.000 1.154 822 L HN 0.766 nan 8.230 nan 0.000 0.462 823 L N 3.538 124.600 121.223 -0.268 0.000 2.425 823 L HA 0.307 4.655 4.340 0.014 0.000 0.215 823 L C 0.574 177.373 176.870 -0.117 0.000 1.065 823 L CA 0.076 54.835 54.840 -0.136 0.000 0.842 823 L CB -0.100 41.916 42.059 -0.070 0.000 1.033 823 L HN 0.736 nan 8.230 nan 0.000 0.474 824 Q N -0.385 119.320 119.800 -0.159 0.000 2.527 824 Q HA 0.337 4.685 4.340 0.014 0.000 0.280 824 Q C -2.110 173.838 176.000 -0.086 0.000 0.977 824 Q CA -0.584 55.166 55.803 -0.088 0.000 0.837 824 Q CB 2.985 31.695 28.738 -0.047 0.000 1.454 824 Q HN 0.046 nan 8.270 nan 0.000 0.387 825 C N 2.886 122.178 119.300 -0.012 0.000 3.044 825 C HA 0.649 5.117 4.460 0.014 0.000 0.382 825 C C -1.018 174.065 174.990 0.155 0.000 1.071 825 C CA 0.563 59.616 59.018 0.059 0.000 1.296 825 C CB 0.327 28.109 27.740 0.069 0.000 1.730 825 C HN 0.826 nan 8.230 nan 0.000 0.513 826 T N 2.331 116.889 114.554 0.007 0.000 2.916 826 T HA 0.920 5.278 4.350 0.014 0.000 0.292 826 T C -0.403 173.983 174.700 -0.525 0.000 1.055 826 T CA -0.183 61.830 62.100 -0.145 0.000 1.009 826 T CB 1.991 70.793 68.868 -0.111 0.000 1.118 826 T HN 1.811 nan 8.240 nan 0.000 0.497 827 A N 1.395 123.725 122.820 -0.817 0.000 2.393 827 A HA 0.744 5.072 4.320 0.014 0.000 0.306 827 A C -1.238 176.062 177.584 -0.473 0.000 1.050 827 A CA -0.753 50.753 52.037 -0.885 0.000 0.724 827 A CB 1.307 19.321 19.000 -1.643 0.000 1.248 827 A HN 0.873 nan 8.150 nan 0.000 0.424 828 D N 1.162 121.361 120.400 -0.336 0.000 2.780 828 D HA 0.429 5.078 4.640 0.014 0.000 0.242 828 D C -0.962 175.230 176.300 -0.180 0.000 1.135 828 D CA 0.017 53.891 54.000 -0.209 0.000 0.859 828 D CB 2.339 43.049 40.800 -0.150 0.000 1.530 828 D HN 0.406 nan 8.370 nan 0.000 0.493 829 T N 2.496 116.967 114.554 -0.138 0.000 2.744 829 T HA 0.427 4.785 4.350 0.014 0.000 0.291 829 T C 0.633 175.283 174.700 -0.082 0.000 0.957 829 T CA -0.389 61.643 62.100 -0.113 0.000 1.002 829 T CB 0.671 69.480 68.868 -0.098 0.000 0.919 829 T HN 0.103 nan 8.240 nan 0.000 0.468 830 L N 1.634 122.812 121.223 -0.076 0.000 2.397 830 L HA 0.593 4.941 4.340 0.014 0.000 0.266 830 L C 2.059 178.905 176.870 -0.041 0.000 1.040 830 L CA -1.259 53.547 54.840 -0.056 0.000 0.800 830 L CB 0.184 42.208 42.059 -0.058 0.000 1.324 830 L HN 0.660 nan 8.230 nan 0.000 0.469 831 A N 0.800 123.600 122.820 -0.032 0.000 1.884 831 A HA -0.205 4.123 4.320 0.014 0.000 0.219 831 A C 0.947 178.518 177.584 -0.021 0.000 1.197 831 A CA 2.391 54.414 52.037 -0.023 0.000 0.637 831 A CB -0.542 18.445 19.000 -0.021 0.000 0.827 831 A HN 0.930 nan 8.150 nan 0.000 0.450 832 D N -3.143 117.241 120.400 -0.027 0.000 2.785 832 D HA 0.568 5.216 4.640 0.014 0.000 0.324 832 D C -0.247 176.033 176.300 -0.033 0.000 1.523 832 D CA 0.598 54.583 54.000 -0.024 0.000 0.789 832 D CB -0.462 40.323 40.800 -0.025 0.000 1.171 832 D HN 0.623 nan 8.370 nan 0.000 0.447 833 A N -0.673 122.119 122.820 -0.047 0.000 2.586 833 A HA 0.657 4.985 4.320 0.014 0.000 0.290 833 A C -1.745 175.784 177.584 -0.091 0.000 1.086 833 A CA -0.710 51.284 52.037 -0.071 0.000 0.665 833 A CB 1.569 20.526 19.000 -0.073 0.000 1.279 833 A HN 0.044 nan 8.150 nan 0.000 0.423 834 V N 0.679 120.518 119.914 -0.126 0.000 2.555 834 V HA 0.624 4.753 4.120 0.014 0.000 0.302 834 V C -0.922 175.064 176.094 -0.180 0.000 1.038 834 V CA -0.449 61.758 62.300 -0.156 0.000 0.887 834 V CB 1.425 33.151 31.823 -0.162 0.000 0.991 834 V HN 0.866 nan 8.190 nan 0.000 0.434 835 L N 6.491 127.598 121.223 -0.193 0.000 2.319 835 L HA 0.630 4.978 4.340 0.014 0.000 0.281 835 L C -0.785 175.924 176.870 -0.268 0.000 1.005 835 L CA 0.030 54.760 54.840 -0.183 0.000 0.828 835 L CB 1.095 43.077 42.059 -0.129 0.000 1.227 835 L HN 0.398 nan 8.230 nan 0.000 0.415 836 I N 4.152 124.547 120.570 -0.292 0.000 2.359 836 I HA 0.446 4.624 4.170 0.014 0.000 0.294 836 I C 0.035 176.079 176.117 -0.121 0.000 0.987 836 I CA -0.224 60.833 61.300 -0.405 0.000 1.225 836 I CB 1.398 38.864 38.000 -0.891 0.000 1.366 836 I HN 0.573 nan 8.210 nan 0.000 0.466 837 T N 4.562 119.050 114.554 -0.109 0.000 2.824 837 T HA 0.650 5.008 4.350 0.014 0.000 0.282 837 T C 0.168 174.891 174.700 0.039 0.000 0.993 837 T CA -0.621 61.479 62.100 0.000 0.000 0.967 837 T CB 1.905 70.754 68.868 -0.032 0.000 0.960 837 T HN 0.772 nan 8.240 nan 0.000 0.441 838 T N -0.657 113.970 114.554 0.122 0.000 2.906 838 T HA 0.878 5.236 4.350 0.014 0.000 0.295 838 T C -1.171 173.592 174.700 0.106 0.000 1.075 838 T CA -1.060 61.106 62.100 0.111 0.000 1.005 838 T CB 2.019 71.029 68.868 0.237 0.000 1.136 838 T HN 0.850 nan 8.240 nan 0.000 0.498 839 A N 1.501 124.315 122.820 -0.010 0.000 2.459 839 A HA 0.777 5.105 4.320 0.014 0.000 0.296 839 A C -1.475 176.016 177.584 -0.156 0.000 1.039 839 A CA -0.773 51.288 52.037 0.040 0.000 0.698 839 A CB 0.955 19.975 19.000 0.032 0.000 1.261 839 A HN 1.016 nan 8.150 nan 0.000 0.405 840 H N -0.136 118.991 119.070 0.095 0.000 2.895 840 H HA 0.814 5.378 4.556 0.014 0.000 0.373 840 H C -0.151 175.212 175.328 0.058 0.000 1.174 840 H CA 0.273 56.303 56.048 -0.030 0.000 1.144 840 H CB 2.175 31.836 29.762 -0.167 0.000 1.793 840 H HN 1.048 nan 8.280 nan 0.000 0.551 841 A N 1.601 124.431 122.820 0.016 0.000 2.393 841 A HA 0.499 4.828 4.320 0.014 0.000 0.306 841 A C -1.552 176.026 177.584 -0.010 0.000 1.050 841 A CA -0.704 51.419 52.037 0.144 0.000 0.724 841 A CB 1.389 20.449 19.000 0.099 0.000 1.248 841 A HN 0.563 nan 8.150 nan 0.000 0.424 842 W N 1.765 123.170 121.300 0.174 0.000 2.475 842 W HA 0.487 5.155 4.660 0.014 0.000 0.317 842 W C -0.516 176.028 176.519 0.042 0.000 1.046 842 W CA -0.200 57.247 57.345 0.169 0.000 1.215 842 W CB 1.970 31.592 29.460 0.270 0.000 1.335 842 W HN 0.820 nan 8.180 nan 0.000 0.471 843 Q N 1.596 121.531 119.800 0.225 0.000 2.484 843 Q HA 0.459 4.807 4.340 0.014 0.000 0.285 843 Q C -1.070 175.063 176.000 0.221 0.000 1.097 843 Q CA -0.947 54.947 55.803 0.152 0.000 0.802 843 Q CB 3.678 32.469 28.738 0.088 0.000 1.444 843 Q HN 0.422 nan 8.270 nan 0.000 0.429 844 H N 1.481 120.585 119.070 0.057 0.000 2.877 844 H HA 0.070 4.634 4.556 0.014 0.000 0.347 844 H C -0.716 174.645 175.328 0.054 0.000 1.042 844 H CA -0.275 55.818 56.048 0.076 0.000 1.276 844 H CB 1.102 30.918 29.762 0.089 0.000 1.681 844 H HN 0.730 nan 8.280 nan 0.000 0.521 845 Q N 3.145 122.732 119.800 -0.354 0.000 2.434 845 Q HA -0.209 4.139 4.340 0.014 0.000 0.299 845 Q C 0.984 176.933 176.000 -0.085 0.000 1.286 845 Q CA 1.336 56.982 55.803 -0.261 0.000 0.872 845 Q CB -2.042 26.517 28.738 -0.298 0.000 1.193 845 Q HN 1.168 nan 8.270 nan 0.000 0.466 846 G N -0.845 107.935 108.800 -0.034 0.000 2.176 846 G HA2 -0.357 3.611 3.960 0.014 0.000 0.253 846 G HA3 -0.357 3.611 3.960 0.014 0.000 0.253 846 G C 0.046 174.956 174.900 0.016 0.000 0.979 846 G CA 0.598 45.695 45.100 -0.004 0.000 0.641 846 G HN 0.436 nan 8.290 nan 0.000 0.530 847 K N 1.524 121.945 120.400 0.035 0.000 2.185 847 K HA 0.652 4.980 4.320 0.014 0.000 0.269 847 K C 0.053 176.671 176.600 0.031 0.000 0.987 847 K CA -0.259 56.051 56.287 0.038 0.000 0.865 847 K CB 0.918 33.455 32.500 0.061 0.000 1.090 847 K HN -0.010 nan 8.250 nan 0.000 0.450 848 T N 6.369 120.930 114.554 0.012 0.000 2.723 848 T HA 0.215 4.573 4.350 0.014 0.000 0.297 848 T C 1.138 175.784 174.700 -0.090 0.000 0.925 848 T CA -0.367 61.735 62.100 0.003 0.000 1.030 848 T CB 0.261 69.146 68.868 0.030 0.000 0.905 848 T HN 0.534 nan 8.240 nan 0.000 0.502 849 L N 2.551 123.627 121.223 -0.244 0.000 2.102 849 L HA 0.313 4.661 4.340 0.014 0.000 0.202 849 L C -0.014 176.362 176.870 -0.823 0.000 1.076 849 L CA 1.001 55.415 54.840 -0.709 0.000 0.761 849 L CB 0.003 41.265 42.059 -1.328 0.000 0.921 849 L HN 0.528 nan 8.230 nan 0.000 0.444 850 F N -1.302 118.600 119.950 -0.080 0.000 2.631 850 F HA 0.562 5.097 4.527 0.013 0.000 0.308 850 F C -0.524 175.363 175.800 0.145 0.000 1.097 850 F CA -0.802 57.091 58.000 -0.180 0.000 0.952 850 F CB 2.086 40.553 39.000 -0.888 0.000 1.307 850 F HN -0.335 nan 8.300 nan 0.000 0.450 851 I N 1.431 122.218 120.570 0.362 0.000 2.498 851 I HA 0.373 4.551 4.170 0.014 0.000 0.290 851 I C -0.873 175.523 176.117 0.465 0.000 1.032 851 I CA -0.575 60.978 61.300 0.423 0.000 1.073 851 I CB 2.282 40.437 38.000 0.258 0.000 1.251 851 I HN 0.539 nan 8.210 nan 0.000 0.426 852 S N 6.801 122.880 115.700 0.632 0.000 2.530 852 S HA 0.569 5.048 4.470 0.014 0.000 0.322 852 S C -0.663 174.184 174.600 0.412 0.000 1.085 852 S CA -0.701 57.824 58.200 0.541 0.000 1.096 852 S CB 0.552 64.181 63.200 0.715 0.000 0.988 852 S HN 0.542 nan 8.310 nan 0.000 0.466 853 R N 3.531 124.192 120.500 0.268 0.000 2.445 853 R HA 0.611 4.960 4.340 0.014 0.000 0.308 853 R C -0.637 175.740 176.300 0.127 0.000 0.961 853 R CA -0.833 55.382 56.100 0.193 0.000 0.862 853 R CB 1.772 32.154 30.300 0.136 0.000 1.144 853 R HN 0.545 nan 8.270 nan 0.000 0.447 854 K N 0.605 121.074 120.400 0.114 0.000 2.480 854 K HA 0.462 4.790 4.320 0.014 0.000 0.258 854 K C -0.853 175.735 176.600 -0.019 0.000 0.990 854 K CA -0.916 55.367 56.287 -0.008 0.000 0.857 854 K CB 2.562 35.044 32.500 -0.031 0.000 1.384 854 K HN 0.680 nan 8.250 nan 0.000 0.446 855 T N -1.461 113.008 114.554 -0.141 0.000 2.893 855 T HA 0.578 4.936 4.350 0.014 0.000 0.293 855 T C -1.411 173.159 174.700 -0.216 0.000 1.027 855 T CA -0.724 61.326 62.100 -0.082 0.000 0.988 855 T CB 0.566 69.412 68.868 -0.036 0.000 1.043 855 T HN 0.402 nan 8.240 nan 0.000 0.461 856 Y N 0.909 121.176 120.300 -0.055 0.000 2.338 856 Y HA 0.624 5.182 4.550 0.014 0.000 0.333 856 Y C 0.390 176.221 175.900 -0.116 0.000 0.968 856 Y CA -1.101 56.982 58.100 -0.028 0.000 1.123 856 Y CB 1.910 40.393 38.460 0.038 0.000 1.165 856 Y HN 0.701 nan 8.280 nan 0.000 0.452 857 R N 4.551 125.071 120.500 0.033 0.000 2.337 857 R HA 0.626 4.974 4.340 0.014 0.000 0.319 857 R C -1.569 174.670 176.300 -0.101 0.000 0.954 857 R CA -0.435 55.636 56.100 -0.048 0.000 0.840 857 R CB 0.554 30.832 30.300 -0.037 0.000 1.164 857 R HN 0.780 nan 8.270 nan 0.000 0.472 858 I N 5.362 125.812 120.570 -0.200 0.000 2.312 858 I HA 0.172 4.350 4.170 0.014 0.000 0.290 858 I C 0.023 176.010 176.117 -0.216 0.000 1.008 858 I CA -0.614 60.481 61.300 -0.341 0.000 1.226 858 I CB 1.152 38.722 38.000 -0.718 0.000 1.371 858 I HN 0.665 nan 8.210 nan 0.000 0.468 859 D N 4.621 124.937 120.400 -0.141 0.000 2.494 859 D HA 0.214 4.862 4.640 0.014 0.000 0.259 859 D C 1.253 177.538 176.300 -0.025 0.000 1.109 859 D CA -0.770 53.190 54.000 -0.068 0.000 1.040 859 D CB 1.047 41.828 40.800 -0.033 0.000 1.175 859 D HN 0.484 nan 8.370 nan 0.000 0.584 860 G N -1.024 107.776 108.800 -0.000 0.000 2.501 860 G HA2 -0.204 3.764 3.960 0.014 0.000 0.220 860 G HA3 -0.204 3.764 3.960 0.014 0.000 0.220 860 G C 1.116 176.056 174.900 0.068 0.000 1.114 860 G CA 1.166 46.286 45.100 0.034 0.000 0.757 860 G HN 0.573 nan 8.290 nan 0.000 0.559 861 S N -1.024 114.711 115.700 0.058 0.000 2.597 861 S HA 0.405 4.883 4.470 0.014 0.000 0.224 861 S C 1.775 176.450 174.600 0.126 0.000 0.955 861 S CA 0.812 59.065 58.200 0.089 0.000 0.933 861 S CB 0.063 63.304 63.200 0.068 0.000 0.788 861 S HN 1.409 nan 8.310 nan 0.000 0.488 862 G N 0.867 109.756 108.800 0.148 0.000 2.189 862 G HA2 -0.273 3.696 3.960 0.014 0.000 0.267 862 G HA3 -0.273 3.696 3.960 0.014 0.000 0.267 862 G C -0.089 174.956 174.900 0.242 0.000 0.975 862 G CA 0.381 45.645 45.100 0.274 0.000 0.644 862 G HN 0.625 nan 8.290 nan 0.000 0.537 863 Q N -0.526 119.349 119.800 0.125 0.000 2.259 863 Q HA 0.591 4.940 4.340 0.014 0.000 0.246 863 Q C 0.251 176.280 176.000 0.048 0.000 0.920 863 Q CA -0.159 55.722 55.803 0.130 0.000 0.895 863 Q CB 1.410 30.212 28.738 0.107 0.000 1.220 863 Q HN 0.473 nan 8.270 nan 0.000 0.439 864 M N 1.833 121.500 119.600 0.111 0.000 2.078 864 M HA 0.472 4.960 4.480 0.014 0.000 0.320 864 M C -1.418 174.972 176.300 0.150 0.000 0.969 864 M CA -0.483 54.844 55.300 0.045 0.000 0.929 864 M CB 1.064 33.679 32.600 0.026 0.000 1.504 864 M HN 0.666 nan 8.290 nan 0.000 0.419 865 A N 6.978 129.852 122.820 0.090 0.000 2.269 865 A HA 0.626 4.955 4.320 0.014 0.000 0.302 865 A C -0.659 176.954 177.584 0.048 0.000 1.266 865 A CA -0.547 51.543 52.037 0.089 0.000 0.894 865 A CB -0.016 19.017 19.000 0.055 0.000 1.147 865 A HN 0.920 nan 8.150 nan 0.000 0.537 866 I N 2.831 123.416 120.570 0.025 0.000 2.355 866 I HA 0.268 4.447 4.170 0.014 0.000 0.288 866 I C -0.144 175.855 176.117 -0.197 0.000 0.999 866 I CA -0.172 61.030 61.300 -0.163 0.000 1.163 866 I CB 1.827 39.771 38.000 -0.093 0.000 1.316 866 I HN 0.477 nan 8.210 nan 0.000 0.454 867 T N 5.985 120.392 114.554 -0.245 0.000 2.771 867 T HA 0.523 4.881 4.350 0.014 0.000 0.281 867 T C -0.178 174.323 174.700 -0.331 0.000 0.982 867 T CA -0.424 61.536 62.100 -0.233 0.000 0.978 867 T CB 1.791 70.615 68.868 -0.074 0.000 0.930 867 T HN 0.206 nan 8.240 nan 0.000 0.447 868 V N 3.752 123.345 119.914 -0.536 0.000 2.540 868 V HA 0.517 4.645 4.120 0.014 0.000 0.302 868 V C -0.689 175.230 176.094 -0.292 0.000 1.035 868 V CA -0.884 61.115 62.300 -0.502 0.000 0.873 868 V CB 2.100 33.329 31.823 -0.989 0.000 0.992 868 V HN 0.850 nan 8.190 nan 0.000 0.428 869 D N 3.103 123.497 120.400 -0.010 0.000 2.686 869 D HA 0.498 5.147 4.640 0.014 0.000 0.249 869 D C -1.124 175.296 176.300 0.199 0.000 1.260 869 D CA -0.078 54.014 54.000 0.154 0.000 0.910 869 D CB 2.722 43.634 40.800 0.187 0.000 1.323 869 D HN 0.252 nan 8.370 nan 0.000 0.561 870 V N 2.180 122.250 119.914 0.260 0.000 2.715 870 V HA 0.340 4.468 4.120 0.014 0.000 0.310 870 V C 0.046 176.290 176.094 0.249 0.000 1.054 870 V CA -0.684 61.791 62.300 0.291 0.000 0.928 870 V CB 2.505 34.549 31.823 0.368 0.000 1.007 870 V HN 0.356 nan 8.190 nan 0.000 0.437 871 E N 2.237 122.572 120.200 0.226 0.000 2.171 871 E HA 0.635 4.993 4.350 0.014 0.000 0.271 871 E C -1.570 175.149 176.600 0.199 0.000 0.916 871 E CA -0.583 55.926 56.400 0.181 0.000 0.774 871 E CB 2.565 32.352 29.700 0.144 0.000 1.128 871 E HN 0.391 nan 8.360 nan 0.000 0.403 872 V N 2.106 122.142 119.914 0.203 0.000 2.444 872 V HA 0.369 4.497 4.120 0.014 0.000 0.294 872 V C 0.047 176.237 176.094 0.160 0.000 1.022 872 V CA -0.939 61.502 62.300 0.237 0.000 0.850 872 V CB 1.542 33.552 31.823 0.312 0.000 0.992 872 V HN 0.849 nan 8.190 nan 0.000 0.426 873 A N 3.483 126.350 122.820 0.079 0.000 2.566 873 A HA 0.235 4.563 4.320 0.014 0.000 0.245 873 A C 1.685 179.335 177.584 0.110 0.000 1.056 873 A CA 0.703 52.775 52.037 0.059 0.000 0.757 873 A CB 0.211 19.209 19.000 -0.005 0.000 0.979 873 A HN 1.416 nan 8.150 nan 0.000 0.508 874 S N 1.342 117.105 115.700 0.104 0.000 2.419 874 S HA -0.172 4.306 4.470 0.014 0.000 0.235 874 S C 0.832 175.500 174.600 0.114 0.000 1.019 874 S CA 1.475 59.753 58.200 0.131 0.000 0.982 874 S CB -0.316 62.941 63.200 0.096 0.000 0.789 874 S HN 0.820 nan 8.310 nan 0.000 0.490 875 D N 0.129 120.571 120.400 0.070 0.000 2.368 875 D HA 0.188 4.836 4.640 0.014 0.000 0.218 875 D C 0.421 176.740 176.300 0.031 0.000 1.112 875 D CA -0.082 53.940 54.000 0.038 0.000 0.834 875 D CB -0.298 40.515 40.800 0.023 0.000 0.953 875 D HN 0.300 nan 8.370 nan 0.000 0.505 876 T N 0.990 115.586 114.554 0.070 0.000 2.928 876 T HA 0.432 4.790 4.350 0.014 0.000 0.284 876 T C -2.625 172.149 174.700 0.124 0.000 1.008 876 T CA -2.045 60.119 62.100 0.106 0.000 1.057 876 T CB 1.094 70.052 68.868 0.149 0.000 1.018 876 T HN -0.201 nan 8.240 nan 0.000 0.493 877 P HA 0.081 nan 4.420 nan 0.000 0.264 877 P C -0.645 176.929 177.300 0.457 0.000 1.183 877 P CA 0.202 63.376 63.100 0.123 0.000 0.763 877 P CB -0.082 31.677 31.700 0.097 0.000 0.807 878 H N 3.854 123.294 119.070 0.616 0.000 3.034 878 H HA 0.079 4.643 4.556 0.013 0.000 0.324 878 H C -1.553 174.135 175.328 0.601 0.000 1.015 878 H CA -1.228 55.130 56.048 0.517 0.000 1.429 878 H CB -0.339 29.682 29.762 0.433 0.000 1.429 878 H HN 0.396 nan 8.280 nan 0.000 0.585 879 P HA 0.010 nan 4.420 nan 0.000 0.274 879 P C 0.115 177.314 177.300 -0.169 0.000 1.237 879 P CA -0.297 62.890 63.100 0.146 0.000 0.793 879 P CB 1.101 32.731 31.700 -0.117 0.000 0.977 880 A N 3.054 125.493 122.820 -0.635 0.000 1.972 880 A HA -0.097 4.231 4.320 0.014 0.000 0.219 880 A C 1.041 178.217 177.584 -0.679 0.000 1.169 880 A CA 1.306 52.916 52.037 -0.711 0.000 0.635 880 A CB -0.534 17.795 19.000 -1.118 0.000 0.810 880 A HN 0.753 nan 8.150 nan 0.000 0.446 881 R N -2.845 117.295 120.500 -0.600 0.000 2.712 881 R HA 0.717 5.065 4.340 0.014 0.000 0.272 881 R C -1.690 174.351 176.300 -0.432 0.000 1.032 881 R CA -0.822 54.950 56.100 -0.546 0.000 0.874 881 R CB 0.814 30.756 30.300 -0.597 0.000 1.256 881 R HN -0.001 nan 8.270 nan 0.000 0.468 882 I N 1.148 121.504 120.570 -0.357 0.000 2.493 882 I HA 0.630 4.808 4.170 0.014 0.000 0.279 882 I C -0.400 175.478 176.117 -0.398 0.000 1.045 882 I CA -0.357 60.753 61.300 -0.317 0.000 1.106 882 I CB 1.779 39.671 38.000 -0.179 0.000 1.216 882 I HN 0.968 nan 8.210 nan 0.000 0.459 883 G N 5.824 114.329 108.800 -0.492 0.000 2.650 883 G HA2 0.748 4.716 3.960 0.014 0.000 0.310 883 G HA3 0.748 4.716 3.960 0.014 0.000 0.310 883 G C -1.713 173.010 174.900 -0.295 0.000 1.270 883 G CA -0.558 44.291 45.100 -0.417 0.000 0.810 883 G HN 0.260 nan 8.290 nan 0.000 0.493 884 L N 0.746 121.850 121.223 -0.198 0.000 2.350 884 L HA 0.653 5.001 4.340 0.014 0.000 0.260 884 L C -0.868 175.905 176.870 -0.162 0.000 1.015 884 L CA -1.164 53.590 54.840 -0.143 0.000 0.821 884 L CB 2.571 44.626 42.059 -0.007 0.000 1.370 884 L HN 0.817 nan 8.230 nan 0.000 0.416 885 N N 0.404 119.036 118.700 -0.112 0.000 2.494 885 N HA 0.724 5.473 4.740 0.014 0.000 0.270 885 N C -1.205 174.319 175.510 0.023 0.000 1.285 885 N CA -0.618 52.405 53.050 -0.045 0.000 0.812 885 N CB 2.137 40.623 38.487 -0.003 0.000 1.557 885 N HN 0.824 nan 8.380 nan 0.000 0.487 886 C N -1.706 117.619 119.300 0.041 0.000 3.321 886 C HA 0.626 5.094 4.460 0.014 0.000 0.329 886 C C -1.104 173.702 174.990 -0.307 0.000 1.394 886 C CA -0.893 58.088 59.018 -0.061 0.000 1.291 886 C CB 1.120 28.853 27.740 -0.011 0.000 1.606 886 C HN 0.848 nan 8.230 nan 0.000 0.463 887 Q N 1.223 120.635 119.800 -0.646 0.000 2.368 887 Q HA 0.630 4.978 4.340 0.014 0.000 0.263 887 Q C -1.126 174.581 176.000 -0.488 0.000 1.009 887 Q CA -0.389 54.784 55.803 -1.049 0.000 0.818 887 Q CB 0.856 28.557 28.738 -1.728 0.000 1.239 887 Q HN 0.764 nan 8.270 nan 0.000 0.464 888 L N 2.703 123.745 121.223 -0.301 0.000 2.426 888 L HA 0.211 4.559 4.340 0.014 0.000 0.271 888 L C 1.324 178.140 176.870 -0.090 0.000 1.169 888 L CA -0.153 54.637 54.840 -0.082 0.000 0.836 888 L CB 0.756 42.879 42.059 0.107 0.000 1.112 888 L HN 0.817 nan 8.230 nan 0.000 0.465 889 A N 2.627 125.420 122.820 -0.045 0.000 1.933 889 A HA -0.132 4.196 4.320 0.014 0.000 0.218 889 A C 1.053 178.628 177.584 -0.015 0.000 1.175 889 A CA 0.939 52.940 52.037 -0.059 0.000 0.628 889 A CB -0.433 18.526 19.000 -0.069 0.000 0.814 889 A HN 0.848 nan 8.150 nan 0.000 0.444 890 Q N -0.732 119.098 119.800 0.050 0.000 2.317 890 Q HA 0.533 4.881 4.340 0.014 0.000 0.229 890 Q C -1.155 174.903 176.000 0.098 0.000 0.984 890 Q CA -0.510 55.316 55.803 0.038 0.000 0.911 890 Q CB 1.310 30.047 28.738 -0.002 0.000 1.217 890 Q HN 0.060 nan 8.270 nan 0.000 0.501 891 V N 1.615 121.546 119.914 0.028 0.000 2.357 891 V HA 0.680 4.808 4.120 0.014 0.000 0.281 891 V C -0.512 175.551 176.094 -0.052 0.000 1.015 891 V CA -0.414 61.935 62.300 0.081 0.000 0.827 891 V CB 0.659 32.509 31.823 0.044 0.000 1.018 891 V HN 0.924 nan 8.190 nan 0.000 0.432 892 A N 3.078 125.769 122.820 -0.215 0.000 2.281 892 A HA 0.709 5.037 4.320 0.014 0.000 0.329 892 A C 0.798 178.361 177.584 -0.034 0.000 1.122 892 A CA -0.431 51.400 52.037 -0.344 0.000 0.850 892 A CB 0.978 19.473 19.000 -0.843 0.000 1.207 892 A HN 0.797 nan 8.150 nan 0.000 0.495 893 E N -0.146 120.044 120.200 -0.017 0.000 2.158 893 E HA -0.031 4.327 4.350 0.014 0.000 0.191 893 E C 0.105 176.775 176.600 0.117 0.000 0.982 893 E CA 0.688 57.120 56.400 0.054 0.000 0.823 893 E CB 0.154 29.871 29.700 0.028 0.000 0.766 893 E HN 0.425 nan 8.360 nan 0.000 0.468 894 R N 0.305 120.879 120.500 0.124 0.000 2.854 894 R HA 0.497 4.845 4.340 0.014 0.000 0.271 894 R C -0.819 175.664 176.300 0.304 0.000 0.996 894 R CA -0.833 55.377 56.100 0.183 0.000 0.961 894 R CB 1.855 32.230 30.300 0.123 0.000 1.182 894 R HN -0.173 nan 8.270 nan 0.000 0.479 895 V N 2.151 122.261 119.914 0.326 0.000 2.444 895 V HA 0.356 4.484 4.120 0.014 0.000 0.294 895 V C -0.184 176.181 176.094 0.451 0.000 1.022 895 V CA -0.904 61.628 62.300 0.387 0.000 0.850 895 V CB 1.684 33.682 31.823 0.292 0.000 0.992 895 V HN 0.629 nan 8.190 nan 0.000 0.426 896 N N 4.591 123.527 118.700 0.394 0.000 2.314 896 N HA 0.561 5.309 4.740 0.014 0.000 0.294 896 N C -1.382 174.376 175.510 0.414 0.000 1.029 896 N CA -0.449 52.804 53.050 0.339 0.000 0.845 896 N CB 2.747 41.333 38.487 0.166 0.000 1.321 896 N HN 0.816 nan 8.380 nan 0.000 0.481 897 W N 3.126 124.455 121.300 0.048 0.000 3.213 897 W HA 0.560 5.228 4.660 0.013 0.000 0.318 897 W C -2.106 174.375 176.519 -0.064 0.000 1.248 897 W CA -1.102 56.243 57.345 0.000 0.000 1.187 897 W CB 0.668 30.140 29.460 0.019 0.000 1.403 897 W HN 0.235 nan 8.180 nan 0.000 0.556 898 L N 4.307 125.508 121.223 -0.036 0.000 2.301 898 L HA 0.917 5.265 4.340 0.014 0.000 0.278 898 L C 0.015 176.686 176.870 -0.331 0.000 1.022 898 L CA 0.406 55.033 54.840 -0.354 0.000 0.854 898 L CB 0.598 42.540 42.059 -0.194 0.000 1.226 898 L HN 1.014 nan 8.230 nan 0.000 0.429 899 G N 3.707 112.174 108.800 -0.554 0.000 2.335 899 G HA2 0.205 4.173 3.960 0.014 0.000 0.291 899 G HA3 0.205 4.173 3.960 0.014 0.000 0.291 899 G C -1.612 173.283 174.900 -0.009 0.000 1.261 899 G CA -1.055 43.929 45.100 -0.193 0.000 0.871 899 G HN 0.437 nan 8.290 nan 0.000 0.491 900 L N 1.034 122.388 121.223 0.218 0.000 2.380 900 L HA 0.609 4.957 4.340 0.014 0.000 0.273 900 L C 1.089 178.042 176.870 0.138 0.000 1.138 900 L CA 0.718 55.650 54.840 0.154 0.000 0.832 900 L CB 0.465 42.569 42.059 0.075 0.000 1.124 900 L HN 1.235 nan 8.230 nan 0.000 0.454 901 G N 2.853 111.511 108.800 -0.238 0.000 2.348 901 G HA2 0.220 4.188 3.960 0.014 0.000 0.296 901 G HA3 0.220 4.188 3.960 0.014 0.000 0.296 901 G C -2.747 171.345 174.900 -1.347 0.000 1.258 901 G CA -0.257 44.394 45.100 -0.749 0.000 0.868 901 G HN 0.314 nan 8.290 nan 0.000 0.488 902 P HA 0.093 nan 4.420 nan 0.000 0.235 902 P C 0.458 177.552 177.300 -0.342 0.000 1.177 902 P CA 0.612 63.020 63.100 -1.152 0.000 0.785 902 P CB 0.440 31.619 31.700 -0.867 0.000 0.885 903 Q N 0.382 119.977 119.800 -0.342 0.000 2.318 903 Q HA 0.169 4.517 4.340 0.014 0.000 0.222 903 Q C 0.389 176.271 176.000 -0.196 0.000 1.003 903 Q CA -0.691 54.992 55.803 -0.199 0.000 0.936 903 Q CB 0.697 29.338 28.738 -0.161 0.000 1.204 903 Q HN 0.114 nan 8.270 nan 0.000 0.524 904 E N 1.263 121.354 120.200 -0.181 0.000 2.502 904 E HA -0.093 4.265 4.350 0.014 0.000 0.261 904 E C -1.153 175.352 176.600 -0.157 0.000 0.974 904 E CA 0.270 56.547 56.400 -0.205 0.000 0.936 904 E CB 0.253 29.898 29.700 -0.092 0.000 0.926 904 E HN 0.602 nan 8.360 nan 0.000 0.459 905 N N 2.649 121.177 118.700 -0.287 0.000 2.367 905 N HA 0.290 5.038 4.740 0.014 0.000 0.278 905 N C -1.889 173.364 175.510 -0.429 0.000 1.117 905 N CA -0.669 52.263 53.050 -0.197 0.000 0.867 905 N CB 0.683 39.073 38.487 -0.161 0.000 1.649 905 N HN 0.226 nan 8.380 nan 0.000 0.479 906 Y N 0.223 120.418 120.300 -0.174 0.000 2.587 906 Y HA 0.511 5.069 4.550 0.013 0.000 0.337 906 Y C -1.603 174.206 175.900 -0.152 0.000 1.065 906 Y CA -2.075 55.909 58.100 -0.193 0.000 1.126 906 Y CB 1.871 40.216 38.460 -0.192 0.000 1.279 906 Y HN 0.454 nan 8.280 nan 0.000 0.489 907 P HA -0.158 nan 4.420 nan 0.000 0.216 907 P C 0.207 177.347 177.300 -0.267 0.000 1.150 907 P CA 1.992 65.097 63.100 0.008 0.000 0.843 907 P CB 0.201 32.016 31.700 0.193 0.000 0.787 908 D N -2.311 117.735 120.400 -0.590 0.000 2.358 908 D HA 0.035 4.683 4.640 0.014 0.000 0.224 908 D C 0.682 176.819 176.300 -0.273 0.000 1.123 908 D CA 0.013 53.477 54.000 -0.894 0.000 0.833 908 D CB -0.298 39.820 40.800 -1.136 0.000 0.946 908 D HN 0.112 nan 8.370 nan 0.000 0.505 909 R N 1.156 121.589 120.500 -0.111 0.000 2.593 909 R HA 0.173 4.521 4.340 0.014 0.000 0.258 909 R C -0.571 175.742 176.300 0.021 0.000 1.410 909 R CA -0.138 55.963 56.100 0.002 0.000 1.537 909 R CB 0.102 30.415 30.300 0.021 0.000 1.362 909 R HN 0.097 nan 8.270 nan 0.000 0.734 910 L N -2.109 119.132 121.223 0.030 0.000 3.298 910 L HA 0.349 4.697 4.340 0.014 0.000 0.296 910 L C 1.265 178.168 176.870 0.056 0.000 1.237 910 L CA 0.092 54.947 54.840 0.025 0.000 1.038 910 L CB 0.073 42.134 42.059 0.003 0.000 1.423 910 L HN 0.046 nan 8.230 nan 0.000 0.605 911 T N -2.908 111.705 114.554 0.100 0.000 2.867 911 T HA 0.052 4.410 4.350 0.014 0.000 0.268 911 T C 1.827 176.509 174.700 -0.029 0.000 1.057 911 T CA 1.190 63.365 62.100 0.125 0.000 1.136 911 T CB -0.322 68.691 68.868 0.242 0.000 0.874 911 T HN 0.368 nan 8.240 nan 0.000 0.466 912 A N 1.872 124.688 122.820 -0.008 0.000 2.014 912 A HA 0.585 4.913 4.320 0.014 0.000 0.218 912 A C 1.684 179.314 177.584 0.077 0.000 1.163 912 A CA 0.666 52.660 52.037 -0.072 0.000 0.652 912 A CB -1.082 18.030 19.000 0.188 0.000 0.808 912 A HN 0.849 nan 8.150 nan 0.000 0.449 913 A N -1.032 121.790 122.820 0.004 0.000 2.445 913 A HA 0.424 4.752 4.320 0.014 0.000 0.242 913 A C 0.077 177.664 177.584 0.004 0.000 1.075 913 A CA -0.037 51.970 52.037 -0.050 0.000 0.777 913 A CB -0.208 18.749 19.000 -0.073 0.000 1.013 913 A HN 0.494 nan 8.150 nan 0.000 0.493 914 C N 1.058 120.362 119.300 0.007 0.000 2.435 914 C HA 0.533 5.002 4.460 0.014 0.000 0.333 914 C C 0.012 175.094 174.990 0.154 0.000 1.202 914 C CA -0.484 58.603 59.018 0.114 0.000 1.830 914 C CB 0.590 28.441 27.740 0.184 0.000 2.326 914 C HN 0.788 nan 8.230 nan 0.000 0.507 915 F N 3.751 123.534 119.950 -0.279 0.000 2.472 915 F HA 0.463 4.998 4.527 0.013 0.000 0.364 915 F C 0.395 175.890 175.800 -0.508 0.000 1.090 915 F CA 1.222 58.920 58.000 -0.503 0.000 1.188 915 F CB -0.002 38.152 39.000 -1.410 0.000 1.105 915 F HN 0.637 nan 8.300 nan 0.000 0.536 916 D N 3.233 123.088 120.400 -0.909 0.000 2.879 916 D HA 0.169 4.817 4.640 0.014 0.000 0.346 916 D C -1.691 173.779 176.300 -1.384 0.000 1.390 916 D CA -0.721 52.641 54.000 -1.063 0.000 0.838 916 D CB 1.399 41.485 40.800 -1.191 0.000 1.416 916 D HN 0.498 nan 8.370 nan 0.000 0.493 917 R N 0.573 120.304 120.500 -1.283 0.000 2.255 917 R HA 0.564 4.912 4.340 0.014 0.000 0.326 917 R C -1.439 174.071 176.300 -1.315 0.000 0.986 917 R CA -0.245 55.230 56.100 -1.042 0.000 0.847 917 R CB 0.406 30.353 30.300 -0.588 0.000 1.111 917 R HN 0.305 nan 8.270 nan 0.000 0.452 918 W N 2.547 123.320 121.300 -0.878 0.000 2.706 918 W HA 0.428 5.096 4.660 0.014 0.000 0.346 918 W C -0.537 175.602 176.519 -0.633 0.000 1.071 918 W CA -0.640 56.133 57.345 -0.954 0.000 1.206 918 W CB 1.856 30.216 29.460 -1.833 0.000 1.413 918 W HN 0.399 nan 8.180 nan 0.000 0.542 919 D N 2.838 123.200 120.400 -0.062 0.000 2.616 919 D HA 0.411 5.059 4.640 0.014 0.000 0.238 919 D C -1.479 174.916 176.300 0.158 0.000 1.354 919 D CA -0.110 53.941 54.000 0.084 0.000 0.970 919 D CB 0.993 41.806 40.800 0.022 0.000 1.369 919 D HN 0.361 nan 8.370 nan 0.000 0.585 920 L N 2.872 124.259 121.223 0.274 0.000 2.327 920 L HA 0.581 4.929 4.340 0.014 0.000 0.258 920 L C -2.308 174.681 176.870 0.198 0.000 1.024 920 L CA -2.192 52.784 54.840 0.227 0.000 0.825 920 L CB 2.625 44.861 42.059 0.296 0.000 1.386 920 L HN 0.178 nan 8.230 nan 0.000 0.417 921 P HA 0.039 nan 4.420 nan 0.000 0.271 921 P C 0.502 177.885 177.300 0.138 0.000 1.218 921 P CA -0.373 62.802 63.100 0.124 0.000 0.780 921 P CB 0.904 32.657 31.700 0.089 0.000 0.901 922 L N 3.348 124.657 121.223 0.144 0.000 2.081 922 L HA -0.247 4.101 4.340 0.014 0.000 0.212 922 L C 2.289 179.214 176.870 0.090 0.000 1.080 922 L CA 2.716 57.633 54.840 0.127 0.000 0.754 922 L CB -1.552 40.599 42.059 0.152 0.000 0.893 922 L HN 0.467 nan 8.230 nan 0.000 0.433 923 S N -1.699 114.055 115.700 0.091 0.000 2.400 923 S HA -0.201 4.278 4.470 0.014 0.000 0.232 923 S C 1.612 176.285 174.600 0.122 0.000 1.025 923 S CA 1.232 59.500 58.200 0.112 0.000 0.993 923 S CB -0.840 62.422 63.200 0.103 0.000 0.808 923 S HN 0.525 nan 8.310 nan 0.000 0.478 924 D N 0.894 121.345 120.400 0.084 0.000 2.392 924 D HA 0.101 4.749 4.640 0.014 0.000 0.228 924 D C 1.019 177.328 176.300 0.016 0.000 1.003 924 D CA 0.515 54.542 54.000 0.046 0.000 0.917 924 D CB -0.097 40.738 40.800 0.058 0.000 0.890 924 D HN 0.381 nan 8.370 nan 0.000 0.532 925 M N -0.603 119.017 119.600 0.034 0.000 2.428 925 M HA 0.073 4.561 4.480 0.014 0.000 0.239 925 M C -0.116 176.185 176.300 0.002 0.000 1.121 925 M CA -0.126 55.148 55.300 -0.044 0.000 1.019 925 M CB -0.563 32.002 32.600 -0.059 0.000 1.485 925 M HN -0.043 nan 8.290 nan 0.000 0.484 926 Y N 0.024 120.283 120.300 -0.067 0.000 2.376 926 Y HA 0.520 5.078 4.550 0.014 0.000 0.340 926 Y C -0.793 175.061 175.900 -0.077 0.000 0.965 926 Y CA -0.930 57.148 58.100 -0.038 0.000 1.078 926 Y CB 1.273 39.772 38.460 0.064 0.000 1.193 926 Y HN -0.115 nan 8.280 nan 0.000 0.452 927 T N 8.901 122.993 114.554 -0.770 0.000 2.756 927 T HA 0.286 4.644 4.350 0.014 0.000 0.290 927 T C -2.672 171.277 174.700 -1.252 0.000 0.985 927 T CA -1.542 60.027 62.100 -0.885 0.000 0.955 927 T CB 1.107 69.509 68.868 -0.778 0.000 0.930 927 T HN 0.465 nan 8.240 nan 0.000 0.451 928 P HA 0.122 nan 4.420 nan 0.000 0.225 928 P C -0.570 176.620 177.300 -0.183 0.000 1.768 928 P CA -0.461 62.249 63.100 -0.650 0.000 0.943 928 P CB -0.762 30.673 31.700 -0.442 0.000 1.936 929 Y N -0.338 119.926 120.300 -0.059 0.000 2.811 929 Y HA -0.118 4.440 4.550 0.014 0.000 0.334 929 Y C 2.287 178.252 175.900 0.109 0.000 1.247 929 Y CA -0.360 57.754 58.100 0.024 0.000 1.526 929 Y CB 0.458 38.828 38.460 -0.151 0.000 1.284 929 Y HN -0.080 nan 8.280 nan 0.000 0.586 930 V N 3.508 123.654 119.914 0.385 0.000 2.343 930 V HA -0.296 3.832 4.120 0.014 0.000 0.247 930 V C 0.541 176.788 176.094 0.256 0.000 1.051 930 V CA 1.369 63.860 62.300 0.318 0.000 1.036 930 V CB -0.529 31.518 31.823 0.372 0.000 0.654 930 V HN 0.588 nan 8.190 nan 0.000 0.451 931 F N 3.582 123.561 119.950 0.049 0.000 2.375 931 F HA 0.497 5.032 4.527 0.014 0.000 0.362 931 F C -2.422 173.368 175.800 -0.016 0.000 1.129 931 F CA -3.481 54.488 58.000 -0.051 0.000 1.154 931 F CB 0.606 39.443 39.000 -0.273 0.000 1.205 931 F HN 0.005 nan 8.300 nan 0.000 0.513 932 P HA 0.274 nan 4.420 nan 0.000 0.271 932 P C -1.026 175.943 177.300 -0.552 0.000 1.218 932 P CA -0.019 62.820 63.100 -0.435 0.000 0.780 932 P CB 1.372 32.868 31.700 -0.340 0.000 0.901 933 S N -0.117 115.455 115.700 -0.214 0.000 2.757 933 S HA 0.460 4.938 4.470 0.014 0.000 0.285 933 S C -0.731 173.846 174.600 -0.037 0.000 1.196 933 S CA -0.911 57.206 58.200 -0.137 0.000 0.856 933 S CB 0.371 63.510 63.200 -0.102 0.000 1.212 933 S HN 0.330 nan 8.310 nan 0.000 0.516 934 E N 1.262 121.449 120.200 -0.021 0.000 2.465 934 E HA 0.377 4.735 4.350 0.014 0.000 0.260 934 E C -0.250 176.386 176.600 0.060 0.000 0.980 934 E CA 0.655 57.071 56.400 0.026 0.000 0.927 934 E CB -0.250 29.484 29.700 0.056 0.000 0.934 934 E HN 0.769 nan 8.360 nan 0.000 0.459 935 N N 1.606 120.384 118.700 0.130 0.000 3.046 935 N HA 0.500 5.249 4.740 0.014 0.000 0.243 935 N C 0.190 175.765 175.510 0.108 0.000 1.452 935 N CA -0.550 52.619 53.050 0.198 0.000 0.882 935 N CB 0.949 39.551 38.487 0.192 0.000 1.425 935 N HN 0.700 nan 8.380 nan 0.000 0.517 936 G N -1.352 107.470 108.800 0.037 0.000 2.184 936 G HA2 -0.264 3.704 3.960 0.014 0.000 0.264 936 G HA3 -0.264 3.704 3.960 0.014 0.000 0.264 936 G C -0.216 174.414 174.900 -0.449 0.000 0.975 936 G CA 0.410 45.400 45.100 -0.184 0.000 0.642 936 G HN 0.712 nan 8.290 nan 0.000 0.536 937 L N 0.138 121.028 121.223 -0.555 0.000 2.483 937 L HA 0.656 5.004 4.340 0.014 0.000 0.275 937 L C 0.653 176.918 176.870 -1.008 0.000 1.220 937 L CA 0.375 54.633 54.840 -0.969 0.000 0.833 937 L CB 0.525 41.674 42.059 -1.517 0.000 1.102 937 L HN 0.247 nan 8.230 nan 0.000 0.490 938 R N 2.479 122.293 120.500 -1.143 0.000 2.513 938 R HA 0.501 4.849 4.340 0.014 0.000 0.301 938 R C -1.021 174.912 176.300 -0.610 0.000 0.968 938 R CA -0.261 55.294 56.100 -0.907 0.000 0.872 938 R CB 1.408 31.070 30.300 -1.064 0.000 1.177 938 R HN 0.669 nan 8.270 nan 0.000 0.444 939 C N 0.357 119.445 119.300 -0.353 0.000 2.423 939 C HA 0.744 5.212 4.460 0.014 0.000 0.378 939 C C 1.267 176.219 174.990 -0.064 0.000 1.244 939 C CA -0.007 58.886 59.018 -0.209 0.000 1.978 939 C CB 1.414 29.051 27.740 -0.172 0.000 2.252 939 C HN 1.024 nan 8.230 nan 0.000 0.526 940 G N 1.865 110.640 108.800 -0.041 0.000 2.305 940 G HA2 -0.184 3.784 3.960 0.014 0.000 0.287 940 G HA3 -0.184 3.784 3.960 0.014 0.000 0.287 940 G C -0.069 174.877 174.900 0.077 0.000 1.036 940 G CA 0.537 45.671 45.100 0.056 0.000 0.887 940 G HN 0.806 nan 8.290 nan 0.000 0.505 941 T N -0.024 114.432 114.554 -0.164 0.000 2.845 941 T HA 0.539 4.897 4.350 0.014 0.000 0.288 941 T C 1.315 175.700 174.700 -0.524 0.000 0.980 941 T CA -0.562 61.367 62.100 -0.285 0.000 1.071 941 T CB 1.461 70.140 68.868 -0.315 0.000 0.941 941 T HN 0.217 nan 8.240 nan 0.000 0.487 942 R N 1.355 121.765 120.500 -0.149 0.000 2.307 942 R HA 0.300 4.649 4.340 0.014 0.000 0.200 942 R C 0.476 176.838 176.300 0.103 0.000 0.893 942 R CA 0.172 56.275 56.100 0.006 0.000 1.042 942 R CB 0.412 30.838 30.300 0.211 0.000 1.059 942 R HN 0.731 nan 8.270 nan 0.000 0.530 943 E N 0.477 120.727 120.200 0.083 0.000 2.347 943 E HA 0.302 4.660 4.350 0.014 0.000 0.285 943 E C -1.902 174.836 176.600 0.231 0.000 0.925 943 E CA -0.615 55.918 56.400 0.222 0.000 0.779 943 E CB 1.478 31.274 29.700 0.161 0.000 1.233 943 E HN -0.083 nan 8.360 nan 0.000 0.414 944 L N 4.020 125.438 121.223 0.325 0.000 2.410 944 L HA 0.606 4.954 4.340 0.014 0.000 0.270 944 L C -1.784 175.283 176.870 0.328 0.000 0.983 944 L CA -0.390 54.571 54.840 0.202 0.000 0.822 944 L CB 1.771 43.789 42.059 -0.068 0.000 1.285 944 L HN 0.493 nan 8.230 nan 0.000 0.409 945 N N 4.325 123.186 118.700 0.267 0.000 2.314 945 N HA 0.428 5.176 4.740 0.014 0.000 0.294 945 N C -2.022 173.714 175.510 0.376 0.000 1.029 945 N CA -0.292 52.920 53.050 0.270 0.000 0.845 945 N CB 2.348 40.934 38.487 0.165 0.000 1.321 945 N HN 0.590 nan 8.380 nan 0.000 0.481 946 Y N 1.087 121.519 120.300 0.220 0.000 2.323 946 Y HA 0.388 4.946 4.550 0.014 0.000 0.322 946 Y C 0.556 176.548 175.900 0.153 0.000 1.133 946 Y CA 0.146 58.374 58.100 0.214 0.000 1.093 946 Y CB 0.591 39.242 38.460 0.318 0.000 1.203 946 Y HN 0.857 nan 8.280 nan 0.000 0.427 947 G N 6.544 115.164 108.800 -0.300 0.000 2.596 947 G HA2 -0.299 3.669 3.960 0.014 0.000 0.295 947 G HA3 -0.299 3.669 3.960 0.014 0.000 0.295 947 G C -1.776 173.006 174.900 -0.198 0.000 1.240 947 G CA 0.122 45.039 45.100 -0.305 0.000 0.985 947 G HN 0.585 nan 8.290 nan 0.000 0.555 948 P HA 0.139 nan 4.420 nan 0.000 0.245 948 P C 0.303 177.442 177.300 -0.269 0.000 1.206 948 P CA 0.733 63.668 63.100 -0.276 0.000 0.781 948 P CB 0.009 31.493 31.700 -0.360 0.000 0.994 949 H N 0.423 119.412 119.070 -0.136 0.000 2.505 949 H HA 0.442 5.006 4.556 0.014 0.000 0.351 949 H C 0.006 175.051 175.328 -0.472 0.000 1.151 949 H CA 0.129 55.967 56.048 -0.349 0.000 1.339 949 H CB 1.370 30.736 29.762 -0.660 0.000 1.483 949 H HN 0.088 nan 8.280 nan 0.000 0.558 950 Q N 2.288 121.825 119.800 -0.439 0.000 2.305 950 Q HA 0.241 4.589 4.340 0.014 0.000 0.271 950 Q C -1.617 174.142 176.000 -0.402 0.000 1.046 950 Q CA -0.687 54.953 55.803 -0.270 0.000 0.798 950 Q CB 2.026 30.749 28.738 -0.025 0.000 1.286 950 Q HN 0.580 nan 8.270 nan 0.000 0.435 951 W N 4.179 125.423 121.300 -0.093 0.000 2.600 951 W HA 0.545 5.214 4.660 0.014 0.000 0.325 951 W C -0.224 176.355 176.519 0.101 0.000 1.034 951 W CA -0.712 56.553 57.345 -0.134 0.000 1.226 951 W CB 1.881 31.071 29.460 -0.450 0.000 1.379 951 W HN 0.504 nan 8.180 nan 0.000 0.466 952 R N 0.878 121.603 120.500 0.375 0.000 2.778 952 R HA 0.835 5.183 4.340 0.014 0.000 0.277 952 R C 0.287 176.858 176.300 0.452 0.000 0.977 952 R CA -0.475 55.865 56.100 0.399 0.000 0.950 952 R CB 2.272 32.727 30.300 0.259 0.000 1.165 952 R HN 0.735 nan 8.270 nan 0.000 0.474 953 G N 0.503 109.577 108.800 0.456 0.000 2.564 953 G HA2 -0.008 3.960 3.960 0.014 0.000 0.139 953 G HA3 -0.008 3.960 3.960 0.014 0.000 0.139 953 G C -1.776 173.295 174.900 0.285 0.000 1.147 953 G CA -0.391 44.955 45.100 0.409 0.000 1.031 953 G HN 0.495 nan 8.290 nan 0.000 0.482 954 D N 0.029 120.600 120.400 0.285 0.000 2.381 954 D HA 0.588 5.236 4.640 0.014 0.000 0.245 954 D C -0.698 175.639 176.300 0.062 0.000 1.297 954 D CA -0.439 53.606 54.000 0.075 0.000 0.931 954 D CB 0.174 41.031 40.800 0.095 0.000 1.334 954 D HN 0.576 nan 8.370 nan 0.000 0.535 955 F N -0.263 119.673 119.950 -0.023 0.000 2.726 955 F HA 0.733 5.268 4.527 0.014 0.000 0.324 955 F C -1.140 174.603 175.800 -0.095 0.000 1.140 955 F CA -1.010 56.912 58.000 -0.129 0.000 0.964 955 F CB 0.796 39.717 39.000 -0.133 0.000 1.399 955 F HN -0.168 nan 8.300 nan 0.000 0.491 956 Q N 1.544 121.415 119.800 0.119 0.000 2.348 956 Q HA 0.642 4.990 4.340 0.014 0.000 0.271 956 Q C -1.313 174.768 176.000 0.134 0.000 1.067 956 Q CA -0.525 55.259 55.803 -0.032 0.000 0.839 956 Q CB 2.754 31.362 28.738 -0.217 0.000 1.354 956 Q HN 0.865 nan 8.270 nan 0.000 0.447 957 F N -0.979 118.857 119.950 -0.189 0.000 2.686 957 F HA 0.751 5.286 4.527 0.014 0.000 0.311 957 F C -1.562 174.016 175.800 -0.368 0.000 1.128 957 F CA -1.059 56.788 58.000 -0.255 0.000 0.946 957 F CB 1.609 40.493 39.000 -0.192 0.000 1.336 957 F HN 0.561 nan 8.300 nan 0.000 0.457 958 N N 1.842 120.350 118.700 -0.320 0.000 2.284 958 N HA 0.744 5.492 4.740 0.014 0.000 0.289 958 N C -2.097 173.343 175.510 -0.117 0.000 1.179 958 N CA -0.742 52.093 53.050 -0.359 0.000 0.774 958 N CB 2.576 40.870 38.487 -0.322 0.000 1.548 958 N HN 1.146 nan 8.380 nan 0.000 0.473 959 I N 0.277 120.774 120.570 -0.122 0.000 2.680 959 I HA 0.663 4.841 4.170 0.014 0.000 0.291 959 I C -1.506 174.530 176.117 -0.134 0.000 1.244 959 I CA 0.077 61.285 61.300 -0.153 0.000 1.042 959 I CB 1.355 39.206 38.000 -0.249 0.000 1.277 959 I HN 1.065 nan 8.210 nan 0.000 0.423 960 S N 6.117 121.749 115.700 -0.114 0.000 2.655 960 S HA 0.509 4.987 4.470 0.014 0.000 0.266 960 S C -0.258 174.236 174.600 -0.177 0.000 1.149 960 S CA -0.986 57.136 58.200 -0.131 0.000 0.818 960 S CB 1.672 64.844 63.200 -0.048 0.000 1.130 960 S HN 0.635 nan 8.310 nan 0.000 0.476 961 R N -0.102 120.129 120.500 -0.448 0.000 2.335 961 R HA 0.253 4.601 4.340 0.014 0.000 0.223 961 R C -0.858 175.100 176.300 -0.571 0.000 0.940 961 R CA 0.315 56.127 56.100 -0.480 0.000 1.086 961 R CB -1.046 28.855 30.300 -0.665 0.000 1.073 961 R HN 0.662 nan 8.270 nan 0.000 0.504 962 Y N 0.015 120.257 120.300 -0.096 0.000 2.376 962 Y HA 0.226 4.784 4.550 0.014 0.000 0.340 962 Y C 0.737 176.413 175.900 -0.373 0.000 0.965 962 Y CA -1.134 56.824 58.100 -0.237 0.000 1.078 962 Y CB 1.475 39.746 38.460 -0.314 0.000 1.193 962 Y HN -0.108 nan 8.280 nan 0.000 0.452 963 S N 1.506 116.880 115.700 -0.542 0.000 2.614 963 S HA 0.094 4.573 4.470 0.014 0.000 0.265 963 S C 0.847 175.106 174.600 -0.567 0.000 1.303 963 S CA -0.776 56.757 58.200 -1.112 0.000 1.000 963 S CB 1.252 63.556 63.200 -1.493 0.000 0.935 963 S HN 0.731 nan 8.310 nan 0.000 0.551 964 Q N 0.705 120.172 119.800 -0.556 0.000 2.135 964 Q HA -0.213 4.136 4.340 0.014 0.000 0.204 964 Q C 2.215 178.071 176.000 -0.241 0.000 0.981 964 Q CA 1.950 57.573 55.803 -0.300 0.000 0.856 964 Q CB -0.589 28.009 28.738 -0.234 0.000 0.902 964 Q HN 0.968 nan 8.270 nan 0.000 0.425 965 Q N 0.691 120.317 119.800 -0.290 0.000 2.050 965 Q HA -0.232 4.116 4.340 0.014 0.000 0.202 965 Q C 2.169 178.071 176.000 -0.164 0.000 0.980 965 Q CA 1.679 57.373 55.803 -0.181 0.000 0.840 965 Q CB -0.028 28.609 28.738 -0.169 0.000 0.898 965 Q HN 0.406 nan 8.270 nan 0.000 0.424 966 Q N 0.054 119.729 119.800 -0.209 0.000 2.096 966 Q HA -0.194 4.154 4.340 0.014 0.000 0.204 966 Q C 2.214 178.105 176.000 -0.181 0.000 0.982 966 Q CA 1.542 57.245 55.803 -0.168 0.000 0.850 966 Q CB -0.141 28.482 28.738 -0.192 0.000 0.901 966 Q HN 0.503 nan 8.270 nan 0.000 0.422 967 L N 0.074 121.177 121.223 -0.200 0.000 2.042 967 L HA -0.244 4.104 4.340 0.014 0.000 0.210 967 L C 2.725 179.470 176.870 -0.208 0.000 1.076 967 L CA 1.468 56.183 54.840 -0.208 0.000 0.749 967 L CB -0.389 41.572 42.059 -0.162 0.000 0.893 967 L HN 0.427 nan 8.230 nan 0.000 0.432 968 M N -0.528 118.980 119.600 -0.153 0.000 2.229 968 M HA -0.179 4.309 4.480 0.014 0.000 0.264 968 M C 1.688 177.928 176.300 -0.101 0.000 1.063 968 M CA 1.665 56.895 55.300 -0.117 0.000 1.114 968 M CB 0.070 32.614 32.600 -0.092 0.000 1.387 968 M HN 0.215 nan 8.290 nan 0.000 0.420 969 E N -0.719 119.421 120.200 -0.100 0.000 2.489 969 E HA 0.041 4.399 4.350 0.014 0.000 0.193 969 E C -0.267 176.298 176.600 -0.060 0.000 1.057 969 E CA 0.155 56.518 56.400 -0.062 0.000 0.866 969 E CB 0.322 29.992 29.700 -0.050 0.000 0.916 969 E HN 0.324 nan 8.360 nan 0.000 0.500 970 T N 0.610 115.095 114.554 -0.115 0.000 2.758 970 T HA 0.106 4.464 4.350 0.014 0.000 0.285 970 T C 0.973 175.597 174.700 -0.126 0.000 0.981 970 T CA -0.462 61.569 62.100 -0.115 0.000 0.965 970 T CB 1.619 70.386 68.868 -0.168 0.000 0.927 970 T HN 0.029 nan 8.240 nan 0.000 0.448 971 S N 1.875 117.602 115.700 0.044 0.000 2.524 971 S HA 0.101 4.579 4.470 0.014 0.000 0.216 971 S C 0.190 174.919 174.600 0.216 0.000 0.987 971 S CA 0.124 58.454 58.200 0.217 0.000 0.909 971 S CB -0.187 63.289 63.200 0.460 0.000 0.781 971 S HN 0.721 nan 8.310 nan 0.000 0.521 972 H N 0.812 119.890 119.070 0.013 0.000 2.782 972 H HA 0.465 5.029 4.556 0.014 0.000 0.347 972 H C 0.870 176.151 175.328 -0.078 0.000 1.038 972 H CA -0.768 55.320 56.048 0.067 0.000 1.255 972 H CB 1.503 31.283 29.762 0.029 0.000 1.623 972 H HN 0.151 nan 8.280 nan 0.000 0.525 973 R N 2.153 122.730 120.500 0.128 0.000 2.127 973 R HA -0.184 4.164 4.340 0.014 0.000 0.238 973 R C 1.291 177.594 176.300 0.005 0.000 1.134 973 R CA 1.888 58.005 56.100 0.029 0.000 0.975 973 R CB -0.462 29.901 30.300 0.105 0.000 0.865 973 R HN 0.763 nan 8.270 nan 0.000 0.447 974 H N 1.309 120.398 119.070 0.033 0.000 2.489 974 H HA -0.027 4.537 4.556 0.013 0.000 0.293 974 H C 1.510 176.772 175.328 -0.111 0.000 1.066 974 H CA 1.032 57.060 56.048 -0.033 0.000 1.305 974 H CB -0.233 29.510 29.762 -0.032 0.000 1.386 974 H HN 0.330 nan 8.280 nan 0.000 0.551 975 L N 1.022 121.868 121.223 -0.630 0.000 2.591 975 L HA 0.202 4.550 4.340 0.014 0.000 0.228 975 L C 0.699 177.439 176.870 -0.217 0.000 1.133 975 L CA -0.194 54.368 54.840 -0.464 0.000 0.880 975 L CB 0.002 41.750 42.059 -0.519 0.000 1.033 975 L HN 0.033 nan 8.230 nan 0.000 0.450 976 L N 0.833 121.923 121.223 -0.222 0.000 2.452 976 L HA 0.136 4.484 4.340 0.014 0.000 0.267 976 L C 0.245 177.101 176.870 -0.024 0.000 1.188 976 L CA -0.027 54.661 54.840 -0.253 0.000 0.821 976 L CB 0.324 41.970 42.059 -0.688 0.000 1.102 976 L HN 0.213 nan 8.230 nan 0.000 0.470 977 H N 1.616 120.723 119.070 0.062 0.000 2.759 977 H HA 0.578 5.142 4.556 0.014 0.000 0.354 977 H C -0.883 174.579 175.328 0.223 0.000 1.074 977 H CA -1.169 54.957 56.048 0.131 0.000 1.226 977 H CB 1.287 31.071 29.762 0.036 0.000 1.648 977 H HN 0.691 nan 8.280 nan 0.000 0.529 978 A N 3.696 126.589 122.820 0.122 0.000 2.531 978 A HA 0.108 4.436 4.320 0.014 0.000 0.236 978 A C 0.332 177.907 177.584 -0.016 0.000 1.062 978 A CA -0.084 51.862 52.037 -0.152 0.000 0.760 978 A CB 0.093 19.005 19.000 -0.147 0.000 0.995 978 A HN 0.857 nan 8.150 nan 0.000 0.501 979 E N 0.847 121.004 120.200 -0.071 0.000 2.267 979 E HA 0.248 4.606 4.350 0.014 0.000 0.258 979 E C -0.366 176.264 176.600 0.050 0.000 1.074 979 E CA -0.692 55.761 56.400 0.089 0.000 0.915 979 E CB 0.801 30.627 29.700 0.209 0.000 1.186 979 E HN 0.779 nan 8.360 nan 0.000 0.439 980 E N 0.088 120.322 120.200 0.056 0.000 2.398 980 E HA 0.233 4.591 4.350 0.014 0.000 0.263 980 E C 0.311 176.869 176.600 -0.071 0.000 1.046 980 E CA 0.578 56.975 56.400 -0.005 0.000 0.908 980 E CB 0.609 30.303 29.700 -0.010 0.000 0.963 980 E HN 0.688 nan 8.360 nan 0.000 0.431 981 G N 2.057 110.816 108.800 -0.068 0.000 2.697 981 G HA2 -0.236 3.732 3.960 0.014 0.000 0.240 981 G HA3 -0.236 3.732 3.960 0.014 0.000 0.240 981 G C -0.576 174.262 174.900 -0.104 0.000 1.346 981 G CA -0.272 44.769 45.100 -0.098 0.000 0.887 981 G HN 0.542 nan 8.290 nan 0.000 0.569 982 T N 0.059 114.535 114.554 -0.129 0.000 2.848 982 T HA 0.518 4.876 4.350 0.014 0.000 0.285 982 T C -0.802 173.766 174.700 -0.220 0.000 0.995 982 T CA -0.154 61.880 62.100 -0.110 0.000 0.970 982 T CB 1.503 70.367 68.868 -0.006 0.000 0.976 982 T HN 0.562 nan 8.240 nan 0.000 0.441 983 W N 3.065 124.267 121.300 -0.165 0.000 2.338 983 W HA 0.610 5.278 4.660 0.014 0.000 0.307 983 W C -0.429 175.961 176.519 -0.216 0.000 1.167 983 W CA -0.716 56.533 57.345 -0.160 0.000 1.208 983 W CB 0.883 30.258 29.460 -0.142 0.000 1.228 983 W HN 0.366 nan 8.180 nan 0.000 0.499 984 L N 5.916 127.131 121.223 -0.014 0.000 2.325 984 L HA 0.494 4.842 4.340 0.014 0.000 0.281 984 L C -0.905 175.872 176.870 -0.156 0.000 1.004 984 L CA -0.446 54.272 54.840 -0.204 0.000 0.823 984 L CB 0.667 42.458 42.059 -0.446 0.000 1.236 984 L HN 0.319 nan 8.230 nan 0.000 0.415 985 N N 7.174 125.773 118.700 -0.169 0.000 2.443 985 N HA 0.445 5.193 4.740 0.014 0.000 0.269 985 N C -1.153 174.215 175.510 -0.236 0.000 0.985 985 N CA -0.283 52.663 53.050 -0.173 0.000 0.921 985 N CB 2.215 40.624 38.487 -0.130 0.000 1.195 985 N HN 0.541 nan 8.380 nan 0.000 0.492 986 I N 2.035 122.418 120.570 -0.311 0.000 2.382 986 I HA 0.232 4.410 4.170 0.014 0.000 0.285 986 I C -0.665 175.257 176.117 -0.325 0.000 1.007 986 I CA -0.554 60.517 61.300 -0.380 0.000 1.142 986 I CB 1.516 39.118 38.000 -0.663 0.000 1.289 986 I HN 0.188 nan 8.210 nan 0.000 0.453 987 D N 4.365 124.606 120.400 -0.264 0.000 2.248 987 D HA 0.310 4.958 4.640 0.014 0.000 0.246 987 D C 0.945 176.931 176.300 -0.524 0.000 1.027 987 D CA -0.257 53.522 54.000 -0.369 0.000 0.853 987 D CB 2.508 43.196 40.800 -0.187 0.000 1.243 987 D HN 0.675 nan 8.370 nan 0.000 0.462 988 G N 0.760 108.973 108.800 -0.980 0.000 2.453 988 G HA2 0.030 3.998 3.960 0.014 0.000 0.215 988 G HA3 0.030 3.998 3.960 0.014 0.000 0.215 988 G C 0.066 174.196 174.900 -1.283 0.000 1.147 988 G CA 0.454 44.870 45.100 -1.139 0.000 0.802 988 G HN 0.352 nan 8.290 nan 0.000 0.535 989 F N -1.868 117.891 119.950 -0.318 0.000 2.601 989 F HA 0.620 5.155 4.527 0.013 0.000 0.309 989 F C -0.496 175.208 175.800 -0.160 0.000 1.089 989 F CA -1.155 56.727 58.000 -0.196 0.000 0.940 989 F CB 2.212 41.012 39.000 -0.333 0.000 1.273 989 F HN 0.056 nan 8.300 nan 0.000 0.450 990 H N 1.743 120.806 119.070 -0.012 0.000 2.954 990 H HA 0.518 5.082 4.556 0.013 0.000 0.361 990 H C -0.989 174.351 175.328 0.019 0.000 1.122 990 H CA -0.898 55.119 56.048 -0.053 0.000 1.217 990 H CB 1.848 31.559 29.762 -0.085 0.000 1.776 990 H HN 0.780 nan 8.280 nan 0.000 0.533 991 M N 3.280 122.848 119.600 -0.053 0.000 2.226 991 M HA 0.321 4.810 4.480 0.014 0.000 0.324 991 M C 0.470 176.874 176.300 0.174 0.000 1.112 991 M CA 0.319 55.642 55.300 0.038 0.000 1.176 991 M CB 0.439 32.961 32.600 -0.129 0.000 1.430 991 M HN 0.816 nan 8.290 nan 0.000 0.462 992 G N 2.275 111.155 108.800 0.132 0.000 2.667 992 G HA2 0.304 4.272 3.960 0.014 0.000 0.250 992 G HA3 0.304 4.272 3.960 0.014 0.000 0.250 992 G C 0.577 175.459 174.900 -0.030 0.000 1.212 992 G CA -0.402 44.715 45.100 0.028 0.000 0.874 992 G HN 0.966 nan 8.290 nan 0.000 0.561 993 I N -1.736 118.772 120.570 -0.103 0.000 3.462 993 I HA 0.418 4.596 4.170 0.014 0.000 0.290 993 I C 1.184 177.234 176.117 -0.112 0.000 1.236 993 I CA 0.455 61.655 61.300 -0.166 0.000 1.418 993 I CB -0.544 37.264 38.000 -0.320 0.000 1.102 993 I HN 0.938 nan 8.210 nan 0.000 0.441 994 G N 1.494 110.252 108.800 -0.071 0.000 2.698 994 G HA2 0.055 4.023 3.960 0.014 0.000 0.233 994 G HA3 0.055 4.023 3.960 0.014 0.000 0.233 994 G C 0.538 175.434 174.900 -0.006 0.000 1.352 994 G CA 0.048 45.142 45.100 -0.010 0.000 0.879 994 G HN 1.373 nan 8.290 nan 0.000 0.567 995 G N -2.294 106.518 108.800 0.020 0.000 2.370 995 G HA2 0.010 3.979 3.960 0.014 0.000 0.174 995 G HA3 0.010 3.979 3.960 0.014 0.000 0.174 995 G C 0.637 175.600 174.900 0.106 0.000 1.002 995 G CA 0.919 46.043 45.100 0.041 0.000 0.730 995 G HN 0.992 nan 8.290 nan 0.000 0.497 996 D N 1.246 121.726 120.400 0.133 0.000 2.228 996 D HA 0.108 4.756 4.640 0.014 0.000 0.203 996 D C 1.022 177.371 176.300 0.083 0.000 0.988 996 D CA 2.128 56.270 54.000 0.236 0.000 0.864 996 D CB 0.147 41.084 40.800 0.228 0.000 0.928 996 D HN 0.819 nan 8.370 nan 0.000 0.469 997 D N -3.543 116.707 120.400 -0.250 0.000 2.692 997 D HA 0.281 4.929 4.640 0.014 0.000 0.290 997 D C -0.837 174.970 176.300 -0.822 0.000 1.281 997 D CA -0.723 52.711 54.000 -0.943 0.000 0.804 997 D CB 0.724 40.468 40.800 -1.759 0.000 1.331 997 D HN -0.295 nan 8.370 nan 0.000 0.432 998 S N -0.603 114.434 115.700 -1.105 0.000 2.711 998 S HA 0.262 4.740 4.470 0.014 0.000 0.247 998 S C -0.573 174.094 174.600 0.111 0.000 1.079 998 S CA -0.658 57.404 58.200 -0.229 0.000 1.050 998 S CB -0.531 62.765 63.200 0.160 0.000 0.885 998 S HN 0.606 nan 8.310 nan 0.000 0.498 999 W N 0.841 122.083 121.300 -0.096 0.000 2.055 999 W HA 0.521 5.189 4.660 0.013 0.000 0.293 999 W C 0.014 176.484 176.519 -0.081 0.000 0.886 999 W CA -0.483 56.804 57.345 -0.098 0.000 1.384 999 W CB -0.434 28.892 29.460 -0.224 0.000 1.068 999 W HN 0.190 nan 8.180 nan 0.000 0.513 1000 S N -0.888 114.710 115.700 -0.171 0.000 2.550 1000 S HA 0.605 5.083 4.470 0.014 0.000 0.270 1000 S C -3.116 171.430 174.600 -0.089 0.000 1.145 1000 S CA -1.624 56.520 58.200 -0.093 0.000 0.852 1000 S CB 1.738 64.906 63.200 -0.053 0.000 1.119 1000 S HN -0.225 nan 8.310 nan 0.000 0.465 1001 P HA 0.175 nan 4.420 nan 0.000 0.261 1001 P C 0.397 177.739 177.300 0.070 0.000 1.183 1001 P CA 0.051 63.169 63.100 0.030 0.000 0.761 1001 P CB 0.618 32.219 31.700 -0.165 0.000 0.785 1002 S N 0.724 116.504 115.700 0.134 0.000 2.780 1002 S HA 0.155 4.633 4.470 0.014 0.000 0.248 1002 S C 0.179 174.869 174.600 0.149 0.000 1.036 1002 S CA -0.333 57.924 58.200 0.094 0.000 1.061 1002 S CB -0.262 62.943 63.200 0.008 0.000 1.037 1002 S HN 0.109 nan 8.310 nan 0.000 0.584 1003 V N 2.656 122.710 119.914 0.233 0.000 2.488 1003 V HA 0.394 4.522 4.120 0.014 0.000 0.277 1003 V C 0.767 177.017 176.094 0.261 0.000 1.046 1003 V CA -0.298 62.121 62.300 0.199 0.000 0.986 1003 V CB 1.168 33.057 31.823 0.109 0.000 0.989 1003 V HN 0.502 nan 8.190 nan 0.000 0.475 1004 S N 3.706 119.570 115.700 0.274 0.000 2.572 1004 S HA 0.321 4.800 4.470 0.014 0.000 0.279 1004 S C 1.513 176.253 174.600 0.234 0.000 1.341 1004 S CA 0.061 58.412 58.200 0.252 0.000 1.043 1004 S CB 1.193 64.576 63.200 0.305 0.000 0.887 1004 S HN 0.987 nan 8.310 nan 0.000 0.516 1005 A N 3.577 126.489 122.820 0.154 0.000 1.958 1005 A HA -0.164 4.164 4.320 0.014 0.000 0.221 1005 A C 1.984 179.589 177.584 0.035 0.000 1.178 1005 A CA 1.927 54.036 52.037 0.119 0.000 0.642 1005 A CB -0.658 18.388 19.000 0.076 0.000 0.816 1005 A HN 0.947 nan 8.150 nan 0.000 0.453 1006 E N -0.893 119.263 120.200 -0.074 0.000 2.409 1006 E HA -0.130 4.228 4.350 0.014 0.000 0.198 1006 E C 0.708 177.027 176.600 -0.468 0.000 1.024 1006 E CA 0.804 57.022 56.400 -0.303 0.000 0.861 1006 E CB -0.483 28.928 29.700 -0.482 0.000 0.788 1006 E HN 0.705 nan 8.360 nan 0.000 0.521 1007 F N 0.868 120.865 119.950 0.079 0.000 2.661 1007 F HA 0.273 4.808 4.527 0.013 0.000 0.306 1007 F C 0.839 176.675 175.800 0.060 0.000 1.094 1007 F CA -0.553 57.494 58.000 0.079 0.000 1.254 1007 F CB 0.632 39.678 39.000 0.078 0.000 1.040 1007 F HN -0.197 nan 8.300 nan 0.000 0.562 1008 Q N 1.302 121.203 119.800 0.167 0.000 2.235 1008 Q HA 0.406 4.754 4.340 0.014 0.000 0.250 1008 Q C -0.255 175.769 176.000 0.039 0.000 0.909 1008 Q CA -0.512 55.363 55.803 0.120 0.000 0.910 1008 Q CB 1.896 30.768 28.738 0.224 0.000 1.223 1008 Q HN 0.241 nan 8.270 nan 0.000 0.432 1009 L N 2.582 123.823 121.223 0.029 0.000 2.387 1009 L HA 0.116 4.464 4.340 0.014 0.000 0.267 1009 L C 0.504 177.365 176.870 -0.015 0.000 1.197 1009 L CA -0.029 54.822 54.840 0.017 0.000 1.070 1009 L CB -0.215 41.751 42.059 -0.155 0.000 1.349 1009 L HN 0.686 nan 8.230 nan 0.000 0.422 1010 S N -0.896 114.708 115.700 -0.160 0.000 2.663 1010 S HA 0.178 4.657 4.470 0.014 0.000 0.243 1010 S C 1.506 176.058 174.600 -0.080 0.000 1.009 1010 S CA 0.128 58.080 58.200 -0.413 0.000 0.988 1010 S CB 0.857 63.547 63.200 -0.850 0.000 0.896 1010 S HN 0.524 nan 8.310 nan 0.000 0.502 1011 A N 1.505 124.314 122.820 -0.019 0.000 2.121 1011 A HA 0.449 4.777 4.320 0.014 0.000 0.218 1011 A C 2.101 179.540 177.584 -0.242 0.000 1.154 1011 A CA 1.271 53.149 52.037 -0.265 0.000 0.679 1011 A CB -1.209 17.395 19.000 -0.659 0.000 0.795 1011 A HN 1.518 nan 8.150 nan 0.000 0.458 1012 G N -1.402 107.354 108.800 -0.074 0.000 2.454 1012 G HA2 -0.288 3.681 3.960 0.014 0.000 0.225 1012 G HA3 -0.288 3.681 3.960 0.014 0.000 0.225 1012 G C 0.428 175.313 174.900 -0.024 0.000 1.138 1012 G CA 0.395 45.501 45.100 0.008 0.000 0.667 1012 G HN 0.706 nan 8.290 nan 0.000 0.512 1013 R N -0.557 119.789 120.500 -0.256 0.000 2.621 1013 R HA 0.705 5.054 4.340 0.014 0.000 0.292 1013 R C -1.494 174.486 176.300 -0.535 0.000 0.969 1013 R CA -0.617 55.367 56.100 -0.193 0.000 0.887 1013 R CB 1.606 31.848 30.300 -0.098 0.000 1.180 1013 R HN 0.253 nan 8.270 nan 0.000 0.450 1014 Y N 0.176 120.454 120.300 -0.036 0.000 2.512 1014 Y HA 0.379 4.937 4.550 0.013 0.000 0.348 1014 Y C -0.423 175.589 175.900 0.187 0.000 0.990 1014 Y CA -0.820 57.204 58.100 -0.127 0.000 1.033 1014 Y CB 2.271 40.540 38.460 -0.319 0.000 1.259 1014 Y HN 0.591 nan 8.280 nan 0.000 0.461 1015 H N 2.419 121.723 119.070 0.389 0.000 2.717 1015 H HA 0.617 5.181 4.556 0.013 0.000 0.366 1015 H C -1.738 173.975 175.328 0.641 0.000 1.132 1015 H CA -0.921 55.364 56.048 0.394 0.000 1.180 1015 H CB 1.311 31.212 29.762 0.232 0.000 1.678 1015 H HN 0.573 nan 8.280 nan 0.000 0.537 1016 Y N 1.824 121.912 120.300 -0.354 0.000 2.656 1016 Y HA 0.527 5.085 4.550 0.014 0.000 0.334 1016 Y C -1.833 173.886 175.900 -0.302 0.000 1.179 1016 Y CA -1.128 56.882 58.100 -0.150 0.000 1.050 1016 Y CB 1.384 39.864 38.460 0.034 0.000 1.308 1016 Y HN 0.777 nan 8.280 nan 0.000 0.456 1017 Q N 1.939 121.758 119.800 0.032 0.000 2.377 1017 Q HA 0.786 5.134 4.340 0.014 0.000 0.279 1017 Q C -2.608 173.471 176.000 0.133 0.000 1.049 1017 Q CA -0.583 55.205 55.803 -0.025 0.000 0.825 1017 Q CB 2.606 31.363 28.738 0.031 0.000 1.401 1017 Q HN 0.921 nan 8.270 nan 0.000 0.404 1018 L N 1.868 123.156 121.223 0.108 0.000 2.393 1018 L HA 0.803 5.151 4.340 0.014 0.000 0.260 1018 L C -1.092 175.893 176.870 0.191 0.000 1.002 1018 L CA -1.383 53.559 54.840 0.170 0.000 0.818 1018 L CB 2.709 44.854 42.059 0.143 0.000 1.369 1018 L HN 0.559 nan 8.230 nan 0.000 0.412 1019 V N 0.968 121.020 119.914 0.230 0.000 2.448 1019 V HA 0.400 4.528 4.120 0.014 0.000 0.295 1019 V C -1.195 175.084 176.094 0.308 0.000 1.025 1019 V CA -0.387 62.058 62.300 0.241 0.000 0.859 1019 V CB 1.974 33.913 31.823 0.193 0.000 0.988 1019 V HN 0.594 nan 8.190 nan 0.000 0.431 1020 W N 7.142 128.507 121.300 0.107 0.000 2.475 1020 W HA 0.715 5.383 4.660 0.014 0.000 0.317 1020 W C -0.275 176.247 176.519 0.005 0.000 1.046 1020 W CA -1.190 56.141 57.345 -0.023 0.000 1.215 1020 W CB 1.389 30.872 29.460 0.039 0.000 1.335 1020 W HN 0.856 nan 8.180 nan 0.000 0.471 1021 C N 3.638 123.188 119.300 0.417 0.000 3.340 1021 C HA 0.757 5.225 4.460 0.014 0.000 0.333 1021 C C -0.692 174.430 174.990 0.219 0.000 1.464 1021 C CA -0.918 58.276 59.018 0.292 0.000 1.337 1021 C CB 1.643 29.496 27.740 0.189 0.000 1.740 1021 C HN 0.722 nan 8.230 nan 0.000 0.450 1022 Q N 1.258 121.142 119.800 0.139 0.000 2.312 1022 Q HA 0.719 5.067 4.340 0.014 0.000 0.263 1022 Q C -0.708 175.305 176.000 0.023 0.000 0.995 1022 Q CA -0.274 55.560 55.803 0.052 0.000 0.853 1022 Q CB 1.531 30.268 28.738 -0.001 0.000 1.300 1022 Q HN 0.838 nan 8.270 nan 0.000 0.448 1023 K N 0.000 120.392 120.400 -0.014 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.014 0.000 0.191 1023 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 1023 K CB 0.000 32.506 32.500 0.010 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543