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 1jyw_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 ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCQYAHAM 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 0.000 176.080 176.300 -0.367 0.000 0.893 13 R CA 0.000 55.968 56.100 -0.219 0.000 0.921 13 R CB 0.000 30.170 30.300 -0.217 0.000 0.687 14 R N 1.774 121.937 120.500 -0.562 0.000 3.701 14 R HA 0.104 4.451 4.340 0.012 0.000 0.210 14 R C -0.593 175.119 176.300 -0.980 0.000 1.598 14 R CA -0.443 54.881 56.100 -1.294 0.000 1.427 14 R CB 0.331 30.073 30.300 -0.930 0.000 1.339 14 R HN 0.433 nan 8.270 nan 0.000 0.720 15 D N 1.020 121.077 120.400 -0.573 0.000 2.311 15 D HA -0.178 4.469 4.640 0.012 0.000 0.212 15 D C 1.282 177.497 176.300 -0.141 0.000 0.972 15 D CA 1.094 54.864 54.000 -0.384 0.000 0.887 15 D CB 0.139 40.536 40.800 -0.672 0.000 0.915 15 D HN 0.651 nan 8.370 nan 0.000 0.497 16 W N 0.997 122.335 121.300 0.063 0.000 3.345 16 W HA 0.255 4.921 4.660 0.011 0.000 0.282 16 W C 0.520 177.143 176.519 0.172 0.000 1.302 16 W CA -0.352 57.125 57.345 0.220 0.000 1.724 16 W CB -0.197 29.440 29.460 0.296 0.000 1.104 16 W HN -0.213 nan 8.180 nan 0.000 0.694 17 E N 1.239 121.306 120.200 -0.222 0.000 3.157 17 E HA 0.048 4.405 4.350 0.012 0.000 0.203 17 E C -0.706 175.754 176.600 -0.233 0.000 0.982 17 E CA -0.195 56.115 56.400 -0.151 0.000 1.217 17 E CB -0.179 29.420 29.700 -0.169 0.000 1.123 17 E HN 0.015 nan 8.360 nan 0.000 0.457 18 N N 1.038 119.634 118.700 -0.173 0.000 2.621 18 N HA 0.137 4.884 4.740 0.012 0.000 0.271 18 N C -2.380 173.002 175.510 -0.214 0.000 1.181 18 N CA -1.933 50.980 53.050 -0.228 0.000 0.805 18 N CB 1.406 39.766 38.487 -0.212 0.000 1.351 18 N HN -0.158 nan 8.380 nan 0.000 0.539 19 P HA 0.090 nan 4.420 nan 0.000 0.234 19 P C 1.090 178.171 177.300 -0.366 0.000 1.167 19 P CA 0.514 63.331 63.100 -0.472 0.000 0.763 19 P CB 0.126 31.099 31.700 -1.212 0.000 0.835 20 G N -0.407 108.212 108.800 -0.303 0.000 2.572 20 G HA2 0.032 3.999 3.960 0.012 0.000 0.216 20 G HA3 0.032 3.999 3.960 0.012 0.000 0.216 20 G C 0.301 175.123 174.900 -0.130 0.000 1.133 20 G CA 0.179 45.149 45.100 -0.217 0.000 0.791 20 G HN 0.216 nan 8.290 nan 0.000 0.538 21 V N 1.718 121.575 119.914 -0.096 0.000 2.304 21 V HA 0.304 4.431 4.120 0.012 0.000 0.278 21 V C 0.857 177.006 176.094 0.092 0.000 1.018 21 V CA 0.164 62.453 62.300 -0.017 0.000 0.814 21 V CB 1.222 33.012 31.823 -0.055 0.000 1.021 21 V HN 0.332 nan 8.190 nan 0.000 0.440 22 T N 0.746 115.352 114.554 0.086 0.000 3.054 22 T HA 0.359 4.716 4.350 0.012 0.000 0.255 22 T C 0.232 174.983 174.700 0.085 0.000 1.035 22 T CA -0.006 62.154 62.100 0.100 0.000 0.941 22 T CB 0.290 69.170 68.868 0.020 0.000 1.026 22 T HN 0.674 nan 8.240 nan 0.000 0.533 23 Q N 0.292 120.186 119.800 0.156 0.000 2.647 23 Q HA 0.692 5.039 4.340 0.012 0.000 0.283 23 Q C -2.243 173.886 176.000 0.215 0.000 0.943 23 Q CA -1.057 54.829 55.803 0.138 0.000 0.813 23 Q CB 0.965 29.707 28.738 0.005 0.000 1.477 23 Q HN 0.221 nan 8.270 nan 0.000 0.393 24 L N 1.813 123.184 121.223 0.247 0.000 2.470 24 L HA 0.597 4.944 4.340 0.012 0.000 0.268 24 L C -0.622 176.362 176.870 0.190 0.000 0.964 24 L CA -0.851 54.132 54.840 0.239 0.000 0.839 24 L CB 1.950 44.245 42.059 0.395 0.000 1.276 24 L HN 0.860 nan 8.230 nan 0.000 0.403 25 N N 0.734 119.519 118.700 0.142 0.000 2.800 25 N HA -0.203 4.544 4.740 0.012 0.000 0.250 25 N C 0.170 175.757 175.510 0.128 0.000 1.078 25 N CA 0.809 53.937 53.050 0.129 0.000 0.804 25 N CB -0.777 37.751 38.487 0.068 0.000 1.135 25 N HN 0.640 nan 8.380 nan 0.000 0.565 26 R N 0.813 121.305 120.500 -0.012 0.000 2.441 26 R HA 0.426 4.773 4.340 0.012 0.000 0.284 26 R C 0.645 176.830 176.300 -0.192 0.000 1.070 26 R CA -0.354 55.549 56.100 -0.328 0.000 1.047 26 R CB 0.577 30.673 30.300 -0.340 0.000 1.016 26 R HN 0.111 nan 8.270 nan 0.000 0.477 27 L N 2.697 123.781 121.223 -0.231 0.000 2.466 27 L HA 0.317 4.664 4.340 0.012 0.000 0.257 27 L C 0.678 177.506 176.870 -0.069 0.000 1.189 27 L CA -0.595 54.193 54.840 -0.088 0.000 0.813 27 L CB 0.666 42.702 42.059 -0.038 0.000 1.118 27 L HN 0.748 nan 8.230 nan 0.000 0.471 28 A N 1.040 123.860 122.820 -0.001 0.000 2.466 28 A HA 0.488 4.815 4.320 0.012 0.000 0.238 28 A C 0.250 177.847 177.584 0.023 0.000 1.074 28 A CA 0.055 52.099 52.037 0.011 0.000 0.774 28 A CB 0.150 19.182 19.000 0.054 0.000 1.015 28 A HN 0.787 nan 8.150 nan 0.000 0.498 29 A N 1.064 123.848 122.820 -0.060 0.000 2.304 29 A HA 0.715 5.042 4.320 0.012 0.000 0.271 29 A C 0.042 177.536 177.584 -0.150 0.000 1.091 29 A CA 0.378 52.294 52.037 -0.202 0.000 0.812 29 A CB 0.014 18.902 19.000 -0.187 0.000 1.056 29 A HN 1.901 nan 8.150 nan 0.000 0.489 30 H N -2.250 116.669 119.070 -0.252 0.000 2.917 30 H HA 0.627 5.190 4.556 0.012 0.000 0.299 30 H C -3.426 171.616 175.328 -0.476 0.000 1.418 30 H CA -1.786 54.054 56.048 -0.346 0.000 1.138 30 H CB 0.052 29.525 29.762 -0.482 0.000 1.830 30 H HN 0.376 nan 8.280 nan 0.000 0.514 31 P HA 0.231 nan 4.420 nan 0.000 0.274 31 P C -2.598 174.530 177.300 -0.286 0.000 1.246 31 P CA -1.431 61.453 63.100 -0.360 0.000 0.795 31 P CB -0.139 31.247 31.700 -0.523 0.000 1.006 32 P HA 0.031 nan 4.420 nan 0.000 0.261 32 P C -0.795 176.693 177.300 0.314 0.000 1.183 32 P CA 1.137 64.266 63.100 0.048 0.000 0.761 32 P CB -0.098 31.668 31.700 0.110 0.000 0.785 33 F N 1.321 121.372 119.950 0.168 0.000 2.556 33 F HA 0.623 5.157 4.527 0.012 0.000 0.327 33 F C 0.988 176.735 175.800 -0.090 0.000 1.059 33 F CA -1.039 57.011 58.000 0.084 0.000 0.953 33 F CB 2.164 41.176 39.000 0.020 0.000 1.227 33 F HN 0.208 nan 8.300 nan 0.000 0.478 34 A N 0.204 122.985 122.820 -0.064 0.000 2.664 34 A HA 0.242 4.569 4.320 0.012 0.000 0.222 34 A C 0.555 177.872 177.584 -0.445 0.000 1.320 34 A CA 0.422 52.183 52.037 -0.460 0.000 1.029 34 A CB -0.118 18.182 19.000 -1.167 0.000 1.318 34 A HN 0.754 nan 8.150 nan 0.000 0.589 35 S N 0.523 116.075 115.700 -0.246 0.000 3.524 35 S HA -0.149 4.328 4.470 0.012 0.000 0.377 35 S C 0.002 174.555 174.600 -0.077 0.000 0.949 35 S CA 0.439 58.547 58.200 -0.153 0.000 1.264 35 S CB -1.540 61.561 63.200 -0.166 0.000 0.918 35 S HN 0.461 nan 8.310 nan 0.000 0.517 36 W N 1.916 123.199 121.300 -0.027 0.000 2.137 36 W HA 0.255 4.922 4.660 0.011 0.000 0.344 36 W C 1.374 177.873 176.519 -0.033 0.000 1.286 36 W CA -0.584 56.750 57.345 -0.019 0.000 1.240 36 W CB 0.275 29.724 29.460 -0.018 0.000 1.141 36 W HN 0.352 nan 8.180 nan 0.000 0.579 37 R N 1.727 122.356 120.500 0.215 0.000 2.509 37 R HA 0.091 4.438 4.340 0.012 0.000 0.300 37 R C -0.065 176.288 176.300 0.087 0.000 0.985 37 R CA -0.095 56.071 56.100 0.110 0.000 1.092 37 R CB -0.196 30.140 30.300 0.059 0.000 1.237 37 R HN 0.362 nan 8.270 nan 0.000 0.546 38 N N -0.053 118.707 118.700 0.100 0.000 2.397 38 N HA 0.108 4.855 4.740 0.012 0.000 0.291 38 N C -0.169 175.303 175.510 -0.064 0.000 1.065 38 N CA -0.022 53.037 53.050 0.015 0.000 0.884 38 N CB 1.901 40.401 38.487 0.021 0.000 1.551 38 N HN -0.255 nan 8.380 nan 0.000 0.487 39 S N 2.191 117.835 115.700 -0.095 0.000 2.423 39 S HA -0.132 4.345 4.470 0.012 0.000 0.231 39 S C 1.382 175.805 174.600 -0.296 0.000 1.014 39 S CA 0.878 58.975 58.200 -0.171 0.000 0.965 39 S CB 0.045 63.178 63.200 -0.112 0.000 0.785 39 S HN 0.743 nan 8.310 nan 0.000 0.495 40 E N 1.806 121.854 120.200 -0.254 0.000 2.150 40 E HA -0.122 4.235 4.350 0.012 0.000 0.193 40 E C 1.800 178.183 176.600 -0.361 0.000 0.985 40 E CA 1.053 57.264 56.400 -0.314 0.000 0.814 40 E CB -0.144 29.431 29.700 -0.207 0.000 0.752 40 E HN 0.262 nan 8.360 nan 0.000 0.466 41 E N 0.144 120.144 120.200 -0.334 0.000 2.150 41 E HA -0.107 4.250 4.350 0.012 0.000 0.193 41 E C 1.947 177.974 176.600 -0.955 0.000 0.985 41 E CA 1.074 57.241 56.400 -0.389 0.000 0.814 41 E CB -0.439 29.176 29.700 -0.142 0.000 0.752 41 E HN 0.386 nan 8.360 nan 0.000 0.466 42 A N 1.513 123.563 122.820 -1.283 0.000 1.898 42 A HA -0.172 4.155 4.320 0.012 0.000 0.216 42 A C 2.240 179.232 177.584 -0.987 0.000 1.181 42 A CA 1.538 52.481 52.037 -1.823 0.000 0.620 42 A CB -0.464 17.955 19.000 -0.967 0.000 0.819 42 A HN 0.131 nan 8.150 nan 0.000 0.442 43 R N -0.123 119.974 120.500 -0.673 0.000 2.083 43 R HA -0.147 4.200 4.340 0.012 0.000 0.237 43 R C 2.077 178.120 176.300 -0.428 0.000 1.137 43 R CA 2.191 57.950 56.100 -0.567 0.000 0.951 43 R CB -0.538 29.299 30.300 -0.772 0.000 0.851 43 R HN 0.627 nan 8.270 nan 0.000 0.434 44 T N -2.554 111.765 114.554 -0.393 0.000 3.148 44 T HA 0.002 4.359 4.350 0.012 0.000 0.253 44 T C 0.407 175.024 174.700 -0.138 0.000 1.134 44 T CA 0.712 62.675 62.100 -0.228 0.000 1.051 44 T CB -0.028 68.733 68.868 -0.180 0.000 0.959 44 T HN 0.406 nan 8.240 nan 0.000 0.525 45 D N 0.540 120.821 120.400 -0.198 0.000 2.945 45 D HA -0.160 4.487 4.640 0.012 0.000 0.225 45 D C 0.135 176.559 176.300 0.205 0.000 1.158 45 D CA 0.462 54.497 54.000 0.058 0.000 0.805 45 D CB -1.156 39.720 40.800 0.127 0.000 1.098 45 D HN 0.590 nan 8.370 nan 0.000 0.426 46 R N 0.038 120.618 120.500 0.133 0.000 2.649 46 R HA 0.464 4.811 4.340 0.012 0.000 0.270 46 R C -2.086 174.480 176.300 0.443 0.000 1.105 46 R CA -1.189 55.042 56.100 0.217 0.000 1.193 46 R CB 0.136 30.506 30.300 0.118 0.000 1.120 46 R HN 0.078 nan 8.270 nan 0.000 0.561 47 P HA -0.013 nan 4.420 nan 0.000 0.269 47 P C -0.862 176.597 177.300 0.266 0.000 1.215 47 P CA 0.025 63.267 63.100 0.237 0.000 0.780 47 P CB 0.847 32.634 31.700 0.145 0.000 0.898 48 S N 0.926 116.656 115.700 0.049 0.000 2.501 48 S HA 0.151 4.628 4.470 0.012 0.000 0.301 48 S C 0.852 175.465 174.600 0.022 0.000 1.096 48 S CA -0.531 57.633 58.200 -0.060 0.000 1.063 48 S CB 0.629 63.466 63.200 -0.604 0.000 1.042 48 S HN 0.232 nan 8.310 nan 0.000 0.494 49 Q N 2.265 122.115 119.800 0.083 0.000 2.436 49 Q HA 0.006 4.353 4.340 0.012 0.000 0.209 49 Q C 0.780 176.906 176.000 0.209 0.000 0.965 49 Q CA 1.104 56.992 55.803 0.141 0.000 0.910 49 Q CB -0.038 28.782 28.738 0.137 0.000 0.980 49 Q HN 0.681 nan 8.270 nan 0.000 0.491 50 Q N -0.434 119.402 119.800 0.061 0.000 2.360 50 Q HA 0.132 4.479 4.340 0.012 0.000 0.202 50 Q C -0.408 175.636 176.000 0.073 0.000 0.915 50 Q CA 0.075 55.859 55.803 -0.031 0.000 0.943 50 Q CB 0.535 29.166 28.738 -0.177 0.000 1.064 50 Q HN 0.010 nan 8.270 nan 0.000 0.511 51 L N 0.801 122.083 121.223 0.098 0.000 2.377 51 L HA 0.451 4.798 4.340 0.012 0.000 0.270 51 L C -1.179 175.774 176.870 0.139 0.000 0.991 51 L CA -0.374 54.523 54.840 0.094 0.000 0.851 51 L CB 0.973 42.996 42.059 -0.061 0.000 1.218 51 L HN -0.101 nan 8.230 nan 0.000 0.420 52 R N 2.320 122.935 120.500 0.192 0.000 2.604 52 R HA 0.636 4.983 4.340 0.012 0.000 0.287 52 R C -0.536 175.785 176.300 0.034 0.000 0.970 52 R CA -0.732 55.426 56.100 0.097 0.000 0.946 52 R CB 2.005 32.325 30.300 0.033 0.000 1.127 52 R HN 0.642 nan 8.270 nan 0.000 0.473 53 S N 1.691 117.401 115.700 0.016 0.000 2.541 53 S HA 0.302 4.779 4.470 0.012 0.000 0.283 53 S C 0.529 175.122 174.600 -0.012 0.000 1.196 53 S CA -0.677 57.521 58.200 -0.002 0.000 1.062 53 S CB 0.616 63.826 63.200 0.017 0.000 1.009 53 S HN 0.563 nan 8.310 nan 0.000 0.502 54 L N 3.394 124.605 121.223 -0.021 0.000 2.769 54 L HA 0.302 4.649 4.340 0.012 0.000 0.240 54 L C 0.150 177.160 176.870 0.233 0.000 1.163 54 L CA -0.339 54.510 54.840 0.014 0.000 0.962 54 L CB -0.282 41.721 42.059 -0.094 0.000 1.258 54 L HN 0.531 nan 8.230 nan 0.000 0.513 55 N N 1.152 119.934 118.700 0.136 0.000 2.453 55 N HA 0.463 5.210 4.740 0.012 0.000 0.253 55 N C 0.624 176.261 175.510 0.211 0.000 1.252 55 N CA 1.016 54.153 53.050 0.145 0.000 0.917 55 N CB 1.257 39.767 38.487 0.037 0.000 1.117 55 N HN 0.299 nan 8.380 nan 0.000 0.442 56 G N 0.375 109.318 108.800 0.239 0.000 2.288 56 G HA2 -0.066 3.901 3.960 0.012 0.000 0.227 56 G HA3 -0.066 3.901 3.960 0.012 0.000 0.227 56 G C -1.566 173.548 174.900 0.357 0.000 1.339 56 G CA -0.788 44.450 45.100 0.231 0.000 1.057 56 G HN 0.462 nan 8.290 nan 0.000 0.470 57 E N 0.065 120.446 120.200 0.302 0.000 2.223 57 E HA 0.461 4.818 4.350 0.012 0.000 0.282 57 E C -0.982 175.876 176.600 0.430 0.000 1.046 57 E CA -0.080 56.508 56.400 0.314 0.000 0.857 57 E CB 1.057 30.859 29.700 0.170 0.000 1.055 57 E HN 0.351 nan 8.360 nan 0.000 0.409 58 W N 1.546 122.932 121.300 0.144 0.000 2.967 58 W HA 0.412 5.079 4.660 0.012 0.000 0.342 58 W C 0.080 176.722 176.519 0.203 0.000 1.162 58 W CA -0.741 56.721 57.345 0.195 0.000 1.085 58 W CB 0.791 30.423 29.460 0.287 0.000 1.460 58 W HN 0.182 nan 8.180 nan 0.000 0.584 59 R N 1.350 122.133 120.500 0.471 0.000 2.532 59 R HA 0.639 4.986 4.340 0.012 0.000 0.295 59 R C -1.580 174.965 176.300 0.409 0.000 0.968 59 R CA -0.940 55.370 56.100 0.351 0.000 0.916 59 R CB 1.509 31.962 30.300 0.255 0.000 1.124 59 R HN 0.491 nan 8.270 nan 0.000 0.463 60 F N 0.340 120.330 119.950 0.066 0.000 2.596 60 F HA 0.625 5.159 4.527 0.012 0.000 0.311 60 F C -1.601 174.059 175.800 -0.233 0.000 1.116 60 F CA -0.568 57.333 58.000 -0.165 0.000 0.957 60 F CB 1.960 40.739 39.000 -0.368 0.000 1.250 60 F HN 0.625 nan 8.300 nan 0.000 0.444 61 A N 4.526 126.677 122.820 -1.115 0.000 2.393 61 A HA 0.591 4.918 4.320 0.012 0.000 0.306 61 A C -2.342 174.390 177.584 -1.420 0.000 1.050 61 A CA -0.559 50.900 52.037 -0.963 0.000 0.724 61 A CB 0.808 19.527 19.000 -0.468 0.000 1.248 61 A HN 0.964 nan 8.150 nan 0.000 0.424 62 W N 2.737 123.257 121.300 -1.301 0.000 2.469 62 W HA 0.732 5.399 4.660 0.012 0.000 0.320 62 W C -1.852 174.090 176.519 -0.962 0.000 1.086 62 W CA -0.335 56.380 57.345 -1.049 0.000 1.211 62 W CB 0.975 30.060 29.460 -0.625 0.000 1.298 62 W HN 0.486 nan 8.180 nan 0.000 0.525 63 F N 6.275 125.564 119.950 -1.102 0.000 2.576 63 F HA 0.374 4.908 4.527 0.012 0.000 0.313 63 F C -1.342 173.574 175.800 -1.473 0.000 1.078 63 F CA -2.429 55.022 58.000 -0.915 0.000 0.921 63 F CB 1.795 40.419 39.000 -0.626 0.000 1.232 63 F HN 0.210 nan 8.300 nan 0.000 0.459 64 P HA 0.157 nan 4.420 nan 0.000 0.236 64 P C -0.380 176.770 177.300 -0.249 0.000 1.177 64 P CA 0.743 63.522 63.100 -0.536 0.000 0.773 64 P CB 0.735 32.427 31.700 -0.013 0.000 0.878 65 A N -0.269 122.425 122.820 -0.211 0.000 2.597 65 A HA 0.500 4.827 4.320 0.012 0.000 0.292 65 A C -2.473 175.005 177.584 -0.176 0.000 1.057 65 A CA -0.925 51.043 52.037 -0.116 0.000 0.674 65 A CB 0.442 19.438 19.000 -0.006 0.000 1.278 65 A HN -0.300 nan 8.150 nan 0.000 0.416 66 P HA -0.093 nan 4.420 nan 0.000 0.220 66 P C 0.703 177.904 177.300 -0.165 0.000 1.148 66 P CA 1.388 64.346 63.100 -0.238 0.000 0.803 66 P CB 0.249 31.769 31.700 -0.299 0.000 0.782 67 E N 0.035 120.199 120.200 -0.060 0.000 2.401 67 E HA -0.050 4.307 4.350 0.012 0.000 0.199 67 E C 1.931 178.473 176.600 -0.095 0.000 1.023 67 E CA 1.079 57.458 56.400 -0.036 0.000 0.859 67 E CB -0.765 28.949 29.700 0.023 0.000 0.780 67 E HN 0.250 nan 8.360 nan 0.000 0.523 68 A N 0.130 122.860 122.820 -0.149 0.000 2.238 68 A HA 0.126 4.453 4.320 0.012 0.000 0.210 68 A C 0.681 178.006 177.584 -0.432 0.000 1.179 68 A CA -0.200 51.754 52.037 -0.137 0.000 0.827 68 A CB 0.427 19.448 19.000 0.035 0.000 0.856 68 A HN 0.037 nan 8.150 nan 0.000 0.488 69 V N 3.272 122.770 119.914 -0.693 0.000 2.508 69 V HA 0.205 4.332 4.120 0.012 0.000 0.281 69 V C -2.054 173.710 176.094 -0.550 0.000 1.041 69 V CA -1.323 60.312 62.300 -1.107 0.000 1.016 69 V CB 0.679 31.927 31.823 -0.958 0.000 0.984 69 V HN 0.357 nan 8.190 nan 0.000 0.478 70 P HA 0.199 nan 4.420 nan 0.000 0.279 70 P C 0.619 177.865 177.300 -0.090 0.000 1.239 70 P CA -0.489 62.516 63.100 -0.159 0.000 0.789 70 P CB 0.783 32.447 31.700 -0.059 0.000 0.933 71 E N 1.183 121.341 120.200 -0.069 0.000 2.209 71 E HA -0.233 4.124 4.350 0.012 0.000 0.196 71 E C 1.499 178.071 176.600 -0.045 0.000 0.993 71 E CA 1.715 58.076 56.400 -0.064 0.000 0.819 71 E CB -0.720 28.947 29.700 -0.056 0.000 0.745 71 E HN 0.400 nan 8.360 nan 0.000 0.477 72 S N 0.223 115.916 115.700 -0.011 0.000 2.419 72 S HA -0.225 4.252 4.470 0.012 0.000 0.233 72 S C 1.696 176.305 174.600 0.016 0.000 1.016 72 S CA 0.742 58.941 58.200 -0.002 0.000 0.974 72 S CB -0.928 62.282 63.200 0.017 0.000 0.786 72 S HN 0.679 nan 8.310 nan 0.000 0.492 73 W N 2.417 123.617 121.300 -0.168 0.000 2.387 73 W HA 0.032 4.699 4.660 0.011 0.000 0.272 73 W C 1.505 177.902 176.519 -0.202 0.000 1.224 73 W CA 0.867 58.110 57.345 -0.169 0.000 1.210 73 W CB -0.317 29.014 29.460 -0.215 0.000 1.125 73 W HN 0.282 nan 8.180 nan 0.000 0.572 74 L N 0.243 121.218 121.223 -0.414 0.000 2.141 74 L HA -0.145 4.202 4.340 0.012 0.000 0.209 74 L C 2.411 179.043 176.870 -0.397 0.000 1.094 74 L CA 1.245 55.699 54.840 -0.643 0.000 0.763 74 L CB -0.692 41.018 42.059 -0.582 0.000 0.908 74 L HN -0.041 nan 8.230 nan 0.000 0.437 75 E N -0.863 119.193 120.200 -0.240 0.000 2.307 75 E HA 0.047 4.404 4.350 0.012 0.000 0.195 75 E C 0.427 176.952 176.600 -0.124 0.000 0.975 75 E CA 0.559 56.872 56.400 -0.145 0.000 0.878 75 E CB 0.776 30.427 29.700 -0.081 0.000 0.845 75 E HN 0.537 nan 8.360 nan 0.000 0.488 76 C N -0.773 118.456 119.300 -0.119 0.000 3.285 76 C HA 0.470 4.937 4.460 0.012 0.000 0.325 76 C C -0.368 174.608 174.990 -0.023 0.000 1.304 76 C CA -1.519 57.456 59.018 -0.071 0.000 1.319 76 C CB 0.914 28.633 27.740 -0.035 0.000 1.640 76 C HN 0.116 nan 8.230 nan 0.000 0.477 77 D N 0.439 120.842 120.400 0.006 0.000 2.506 77 D HA 0.331 4.978 4.640 0.012 0.000 0.234 77 D C -0.342 176.026 176.300 0.114 0.000 1.143 77 D CA 0.396 54.443 54.000 0.078 0.000 0.871 77 D CB 0.504 41.341 40.800 0.062 0.000 1.190 77 D HN 0.584 nan 8.370 nan 0.000 0.459 78 L N 5.448 126.778 121.223 0.180 0.000 2.276 78 L HA 0.278 4.625 4.340 0.012 0.000 0.286 78 L C -1.359 175.567 176.870 0.093 0.000 1.061 78 L CA -1.542 53.384 54.840 0.144 0.000 0.807 78 L CB 1.432 43.590 42.059 0.164 0.000 1.177 78 L HN 0.513 nan 8.230 nan 0.000 0.429 79 P HA -0.188 nan 4.420 nan 0.000 0.218 79 P C 0.945 178.270 177.300 0.041 0.000 1.149 79 P CA 0.916 64.045 63.100 0.049 0.000 0.817 79 P CB 0.114 31.836 31.700 0.037 0.000 0.785 80 E N -0.088 120.132 120.200 0.033 0.000 2.502 80 E HA 0.069 4.426 4.350 0.012 0.000 0.194 80 E C 0.529 177.136 176.600 0.012 0.000 1.062 80 E CA -0.079 56.330 56.400 0.014 0.000 0.867 80 E CB -0.507 29.186 29.700 -0.012 0.000 0.888 80 E HN 0.031 nan 8.360 nan 0.000 0.510 81 A N 1.244 124.084 122.820 0.033 0.000 2.406 81 A HA 0.195 4.522 4.320 0.012 0.000 0.243 81 A C -0.230 177.406 177.584 0.086 0.000 1.082 81 A CA -0.208 51.852 52.037 0.038 0.000 0.786 81 A CB 0.333 19.382 19.000 0.081 0.000 1.029 81 A HN 0.143 nan 8.150 nan 0.000 0.495 82 D N -0.095 120.388 120.400 0.139 0.000 2.272 82 D HA 0.509 5.156 4.640 0.012 0.000 0.247 82 D C -0.494 175.916 176.300 0.184 0.000 0.990 82 D CA 0.046 54.147 54.000 0.169 0.000 0.931 82 D CB 1.329 42.276 40.800 0.245 0.000 1.195 82 D HN 0.385 nan 8.370 nan 0.000 0.477 83 T N 0.483 115.124 114.554 0.146 0.000 2.799 83 T HA 0.523 4.880 4.350 0.012 0.000 0.286 83 T C 0.121 174.906 174.700 0.141 0.000 0.973 83 T CA -0.547 61.649 62.100 0.161 0.000 1.035 83 T CB 0.800 69.740 68.868 0.119 0.000 0.932 83 T HN 0.274 nan 8.240 nan 0.000 0.469 84 V N 1.058 121.085 119.914 0.189 0.000 3.130 84 V HA 0.786 4.913 4.120 0.012 0.000 0.310 84 V C -0.349 175.851 176.094 0.176 0.000 1.158 84 V CA -1.046 61.317 62.300 0.105 0.000 1.029 84 V CB 1.662 33.541 31.823 0.094 0.000 1.057 84 V HN 0.530 nan 8.190 nan 0.000 0.436 85 V N 1.907 121.896 119.914 0.126 0.000 2.583 85 V HA 0.515 4.642 4.120 0.012 0.000 0.287 85 V C -0.029 176.131 176.094 0.109 0.000 1.051 85 V CA 0.045 62.424 62.300 0.131 0.000 1.010 85 V CB 1.449 33.320 31.823 0.080 0.000 0.988 85 V HN 0.758 nan 8.190 nan 0.000 0.478 86 V N 7.365 127.260 119.914 -0.033 0.000 2.588 86 V HA 0.464 4.591 4.120 0.012 0.000 0.304 86 V C -2.293 173.667 176.094 -0.224 0.000 1.042 86 V CA -1.622 60.509 62.300 -0.282 0.000 0.877 86 V CB 2.460 33.725 31.823 -0.930 0.000 0.996 86 V HN 0.763 nan 8.190 nan 0.000 0.425 87 P HA 0.478 nan 4.420 nan 0.000 0.277 87 P C -0.813 176.418 177.300 -0.114 0.000 1.240 87 P CA -0.133 62.840 63.100 -0.212 0.000 0.798 87 P CB 1.457 33.046 31.700 -0.184 0.000 0.979 88 S N 0.216 115.864 115.700 -0.088 0.000 2.615 88 S HA 0.407 4.884 4.470 0.012 0.000 0.268 88 S C -1.295 173.246 174.600 -0.098 0.000 1.146 88 S CA -1.028 57.108 58.200 -0.107 0.000 0.818 88 S CB 0.438 63.544 63.200 -0.158 0.000 1.111 88 S HN 0.368 nan 8.310 nan 0.000 0.465 89 N N 0.895 119.466 118.700 -0.216 0.000 2.408 89 N HA 0.446 5.193 4.740 0.012 0.000 0.280 89 N C 0.482 175.810 175.510 -0.304 0.000 1.002 89 N CA -0.832 52.066 53.050 -0.254 0.000 0.907 89 N CB 0.764 39.067 38.487 -0.306 0.000 1.161 89 N HN 0.857 nan 8.380 nan 0.000 0.488 90 W N 2.571 123.718 121.300 -0.254 0.000 2.392 90 W HA -0.079 4.588 4.660 0.012 0.000 0.279 90 W C 1.024 177.496 176.519 -0.078 0.000 1.225 90 W CA 0.805 57.987 57.345 -0.270 0.000 1.233 90 W CB -0.379 28.913 29.460 -0.279 0.000 1.122 90 W HN 0.521 nan 8.180 nan 0.000 0.561 91 Q N 0.505 120.263 119.800 -0.069 0.000 2.170 91 Q HA -0.144 4.203 4.340 0.012 0.000 0.203 91 Q C 2.189 178.121 176.000 -0.114 0.000 0.976 91 Q CA 2.120 57.884 55.803 -0.066 0.000 0.858 91 Q CB -0.569 28.002 28.738 -0.278 0.000 0.907 91 Q HN 0.267 nan 8.270 nan 0.000 0.433 92 M N -0.822 118.664 119.600 -0.189 0.000 2.557 92 M HA -0.072 4.415 4.480 0.012 0.000 0.259 92 M C 0.672 177.015 176.300 0.073 0.000 1.086 92 M CA 1.429 56.648 55.300 -0.135 0.000 1.096 92 M CB -0.634 31.865 32.600 -0.168 0.000 1.424 92 M HN 0.374 nan 8.290 nan 0.000 0.488 93 H N -0.797 118.291 119.070 0.030 0.000 2.549 93 H HA 0.298 4.861 4.556 0.012 0.000 0.279 93 H C 1.268 176.492 175.328 -0.174 0.000 1.018 93 H CA 0.079 56.125 56.048 -0.003 0.000 1.175 93 H CB 0.402 30.261 29.762 0.161 0.000 1.485 93 H HN 0.565 nan 8.280 nan 0.000 0.543 94 G N 0.557 109.356 108.800 -0.002 0.000 2.157 94 G HA2 -0.368 3.599 3.960 0.012 0.000 0.248 94 G HA3 -0.368 3.599 3.960 0.012 0.000 0.248 94 G C 0.429 175.197 174.900 -0.221 0.000 0.979 94 G CA 0.311 45.334 45.100 -0.128 0.000 0.650 94 G HN 0.466 nan 8.290 nan 0.000 0.529 95 Y N 1.706 122.014 120.300 0.013 0.000 2.293 95 Y HA 0.235 4.792 4.550 0.012 0.000 0.291 95 Y C 1.677 177.331 175.900 -0.411 0.000 1.137 95 Y CA 1.694 59.682 58.100 -0.186 0.000 1.202 95 Y CB 0.153 38.561 38.460 -0.087 0.000 0.990 95 Y HN 0.662 nan 8.280 nan 0.000 0.537 96 D N -2.144 118.303 120.400 0.077 0.000 2.665 96 D HA 0.483 5.130 4.640 0.012 0.000 0.287 96 D C -1.238 175.128 176.300 0.110 0.000 1.266 96 D CA -0.818 53.219 54.000 0.062 0.000 0.830 96 D CB 0.739 41.688 40.800 0.248 0.000 1.356 96 D HN -0.040 nan 8.370 nan 0.000 0.437 97 A N 0.118 123.011 122.820 0.122 0.000 2.327 97 A HA 0.698 5.025 4.320 0.012 0.000 0.283 97 A C -2.312 175.279 177.584 0.012 0.000 1.127 97 A CA -1.134 50.946 52.037 0.072 0.000 0.810 97 A CB 0.034 19.151 19.000 0.195 0.000 1.066 97 A HN 0.541 nan 8.150 nan 0.000 0.492 98 P HA 0.430 nan 4.420 nan 0.000 0.274 98 P C -0.858 176.614 177.300 0.287 0.000 1.231 98 P CA 0.050 63.096 63.100 -0.091 0.000 0.790 98 P CB 0.728 32.118 31.700 -0.515 0.000 0.951 99 I N 1.811 122.646 120.570 0.441 0.000 2.433 99 I HA 0.260 4.437 4.170 0.012 0.000 0.292 99 I C -0.607 175.687 176.117 0.295 0.000 1.001 99 I CA -0.954 60.592 61.300 0.408 0.000 1.119 99 I CB 1.681 39.859 38.000 0.297 0.000 1.289 99 I HN 0.284 nan 8.210 nan 0.000 0.438 100 Y N 5.974 126.187 120.300 -0.145 0.000 2.478 100 Y HA 0.506 5.063 4.550 0.011 0.000 0.329 100 Y C -0.377 175.349 175.900 -0.290 0.000 0.967 100 Y CA -0.563 57.163 58.100 -0.623 0.000 1.255 100 Y CB 1.121 38.715 38.460 -1.442 0.000 1.103 100 Y HN 0.521 nan 8.280 nan 0.000 0.497 101 T N 5.183 119.213 114.554 -0.873 0.000 2.876 101 T HA 0.265 4.622 4.350 0.012 0.000 0.289 101 T C 0.215 174.427 174.700 -0.813 0.000 1.014 101 T CA -0.563 61.070 62.100 -0.779 0.000 0.986 101 T CB 1.072 69.716 68.868 -0.374 0.000 1.021 101 T HN 0.760 nan 8.240 nan 0.000 0.458 102 N N 2.878 121.142 118.700 -0.726 0.000 2.272 102 N HA 0.051 4.798 4.740 0.012 0.000 0.195 102 N C 1.561 176.793 175.510 -0.464 0.000 1.048 102 N CA 1.492 54.251 53.050 -0.486 0.000 0.912 102 N CB -0.622 37.596 38.487 -0.449 0.000 1.096 102 N HN 0.391 nan 8.380 nan 0.000 0.471 103 V N 0.296 119.870 119.914 -0.567 0.000 2.492 103 V HA 0.117 4.244 4.120 0.012 0.000 0.241 103 V C 0.438 176.227 176.094 -0.508 0.000 1.041 103 V CA 0.873 62.765 62.300 -0.680 0.000 1.057 103 V CB -0.640 30.683 31.823 -0.832 0.000 0.711 103 V HN 0.323 nan 8.190 nan 0.000 0.468 104 T N 0.901 115.222 114.554 -0.388 0.000 2.902 104 T HA 0.174 4.531 4.350 0.012 0.000 0.301 104 T C -0.343 174.226 174.700 -0.219 0.000 1.012 104 T CA 0.230 62.179 62.100 -0.251 0.000 1.151 104 T CB -0.096 68.652 68.868 -0.200 0.000 0.946 104 T HN 0.169 nan 8.240 nan 0.000 0.542 105 Y N 4.445 124.645 120.300 -0.167 0.000 2.550 105 Y HA 0.129 4.686 4.550 0.011 0.000 0.343 105 Y C -0.805 174.962 175.900 -0.222 0.000 1.245 105 Y CA -1.611 56.379 58.100 -0.183 0.000 1.462 105 Y CB 0.432 38.780 38.460 -0.186 0.000 1.340 105 Y HN 0.509 nan 8.280 nan 0.000 0.604 106 P HA 0.001 nan 4.420 nan 0.000 0.241 106 P C -0.385 176.672 177.300 -0.406 0.000 1.191 106 P CA 1.113 64.084 63.100 -0.215 0.000 0.771 106 P CB 0.024 31.617 31.700 -0.178 0.000 0.929 107 I N -5.323 114.993 120.570 -0.423 0.000 2.892 107 I HA 0.492 4.669 4.170 0.012 0.000 0.306 107 I C -0.542 175.437 176.117 -0.230 0.000 1.078 107 I CA -1.231 59.797 61.300 -0.455 0.000 1.032 107 I CB 1.754 39.332 38.000 -0.703 0.000 1.229 107 I HN -0.466 nan 8.210 nan 0.000 0.435 108 T N 2.829 117.292 114.554 -0.151 0.000 2.934 108 T HA 0.140 4.497 4.350 0.012 0.000 0.306 108 T C 0.194 174.876 174.700 -0.030 0.000 1.042 108 T CA -0.163 61.899 62.100 -0.062 0.000 1.145 108 T CB 0.631 69.485 68.868 -0.022 0.000 0.982 108 T HN 0.379 nan 8.240 nan 0.000 0.544 109 V N 5.032 124.944 119.914 -0.003 0.000 2.370 109 V HA 0.254 4.381 4.120 0.012 0.000 0.257 109 V C 0.622 176.758 176.094 0.069 0.000 1.064 109 V CA -0.255 62.064 62.300 0.031 0.000 0.975 109 V CB -0.200 31.623 31.823 -0.000 0.000 1.067 109 V HN 0.859 nan 8.190 nan 0.000 0.485 110 N N 6.134 124.930 118.700 0.161 0.000 2.732 110 N HA 0.259 5.006 4.740 0.012 0.000 0.230 110 N C -2.971 172.607 175.510 0.113 0.000 1.487 110 N CA -1.168 51.964 53.050 0.136 0.000 0.765 110 N CB 1.634 40.244 38.487 0.206 0.000 1.384 110 N HN 0.265 nan 8.380 nan 0.000 0.530 111 P HA 0.251 nan 4.420 nan 0.000 0.268 111 P C -2.243 174.855 177.300 -0.336 0.000 1.205 111 P CA -0.792 61.918 63.100 -0.650 0.000 0.771 111 P CB 0.649 31.780 31.700 -0.949 0.000 0.858 112 P HA 0.242 nan 4.420 nan 0.000 0.259 112 P C -0.394 176.795 177.300 -0.185 0.000 1.530 112 P CA -0.287 62.614 63.100 -0.332 0.000 1.022 112 P CB 0.007 31.461 31.700 -0.410 0.000 1.514 113 F N 0.976 121.036 119.950 0.183 0.000 2.380 113 F HA 0.308 4.842 4.527 0.012 0.000 0.325 113 F C 1.385 177.351 175.800 0.277 0.000 1.136 113 F CA -0.695 57.423 58.000 0.196 0.000 1.171 113 F CB 0.839 39.904 39.000 0.108 0.000 1.230 113 F HN -0.209 nan 8.300 nan 0.000 0.554 114 V N -1.003 119.189 119.914 0.464 0.000 3.126 114 V HA 0.691 4.818 4.120 0.012 0.000 0.314 114 V C -2.787 173.465 176.094 0.264 0.000 1.138 114 V CA -2.889 59.601 62.300 0.317 0.000 1.034 114 V CB 1.325 33.386 31.823 0.397 0.000 1.075 114 V HN 0.464 nan 8.190 nan 0.000 0.442 115 P HA 0.222 nan 4.420 nan 0.000 0.269 115 P C 1.030 178.468 177.300 0.231 0.000 1.209 115 P CA 0.424 63.615 63.100 0.152 0.000 0.776 115 P CB 0.536 32.300 31.700 0.108 0.000 0.876 116 T N -1.121 113.538 114.554 0.175 0.000 2.788 116 T HA -0.120 4.237 4.350 0.012 0.000 0.268 116 T C 0.445 175.253 174.700 0.179 0.000 1.044 116 T CA 0.987 63.192 62.100 0.176 0.000 1.139 116 T CB -0.564 68.373 68.868 0.115 0.000 0.867 116 T HN 0.419 nan 8.240 nan 0.000 0.454 117 E N 2.527 122.834 120.200 0.179 0.000 1.996 117 E HA 0.328 4.685 4.350 0.012 0.000 0.280 117 E C -0.711 176.053 176.600 0.274 0.000 1.092 117 E CA -0.404 56.108 56.400 0.188 0.000 0.862 117 E CB 0.270 30.084 29.700 0.190 0.000 1.066 117 E HN 0.191 nan 8.360 nan 0.000 0.396 118 N N 4.563 123.393 118.700 0.218 0.000 2.577 118 N HA 0.244 4.991 4.740 0.012 0.000 0.275 118 N C -2.893 172.641 175.510 0.040 0.000 1.091 118 N CA -2.483 50.727 53.050 0.266 0.000 0.843 118 N CB 1.240 39.876 38.487 0.247 0.000 1.295 118 N HN 0.057 nan 8.380 nan 0.000 0.530 119 P HA 0.013 nan 4.420 nan 0.000 0.260 119 P C -0.837 176.378 177.300 -0.141 0.000 1.172 119 P CA 0.566 63.606 63.100 -0.099 0.000 0.760 119 P CB 0.421 32.386 31.700 0.441 0.000 0.773 120 T N 2.942 117.152 114.554 -0.573 0.000 2.809 120 T HA 0.537 4.894 4.350 0.012 0.000 0.284 120 T C 0.264 174.487 174.700 -0.796 0.000 0.992 120 T CA -0.552 61.270 62.100 -0.464 0.000 0.957 120 T CB 1.430 70.046 68.868 -0.420 0.000 0.942 120 T HN 0.329 nan 8.240 nan 0.000 0.439 121 G N 1.218 109.607 108.800 -0.685 0.000 2.347 121 G HA2 0.459 4.426 3.960 0.012 0.000 0.314 121 G HA3 0.459 4.426 3.960 0.012 0.000 0.314 121 G C -0.179 174.488 174.900 -0.389 0.000 1.126 121 G CA -0.339 44.255 45.100 -0.842 0.000 0.929 121 G HN 0.861 nan 8.290 nan 0.000 0.441 122 C N 3.421 122.266 119.300 -0.757 0.000 2.225 122 C HA 0.456 4.923 4.460 0.012 0.000 0.328 122 C C -0.431 174.520 174.990 -0.066 0.000 1.187 122 C CA -0.867 57.823 59.018 -0.547 0.000 1.665 122 C CB -1.752 25.225 27.740 -1.273 0.000 2.253 122 C HN 0.632 nan 8.230 nan 0.000 0.497 123 Y N 1.946 122.515 120.300 0.448 0.000 2.457 123 Y HA 0.655 5.212 4.550 0.012 0.000 0.333 123 Y C 0.813 177.150 175.900 0.729 0.000 1.119 123 Y CA -0.108 58.371 58.100 0.631 0.000 1.143 123 Y CB 1.540 40.387 38.460 0.644 0.000 1.230 123 Y HN 0.682 nan 8.280 nan 0.000 0.469 124 S N 1.916 118.090 115.700 0.790 0.000 2.570 124 S HA 0.803 5.280 4.470 0.012 0.000 0.270 124 S C -1.948 172.718 174.600 0.110 0.000 1.149 124 S CA -0.842 57.601 58.200 0.404 0.000 0.837 124 S CB 2.145 65.481 63.200 0.226 0.000 1.124 124 S HN 0.641 nan 8.310 nan 0.000 0.465 125 L N 0.536 121.649 121.223 -0.183 0.000 2.513 125 L HA 0.738 5.085 4.340 0.012 0.000 0.261 125 L C -1.196 175.615 176.870 -0.099 0.000 0.945 125 L CA 0.124 54.711 54.840 -0.421 0.000 0.848 125 L CB 2.277 43.520 42.059 -1.360 0.000 1.334 125 L HN 0.890 nan 8.230 nan 0.000 0.407 126 T N 5.414 119.936 114.554 -0.053 0.000 2.767 126 T HA 0.757 5.114 4.350 0.012 0.000 0.284 126 T C -0.854 173.883 174.700 0.063 0.000 0.973 126 T CA 0.022 62.121 62.100 -0.001 0.000 0.996 126 T CB 0.337 69.174 68.868 -0.052 0.000 0.927 126 T HN 0.477 nan 8.240 nan 0.000 0.456 127 F N 1.099 120.950 119.950 -0.165 0.000 2.685 127 F HA 0.751 5.285 4.527 0.012 0.000 0.315 127 F C -0.820 174.901 175.800 -0.132 0.000 1.126 127 F CA -1.540 56.364 58.000 -0.160 0.000 0.950 127 F CB 1.364 40.246 39.000 -0.196 0.000 1.360 127 F HN 0.364 nan 8.300 nan 0.000 0.469 128 N N 0.316 118.929 118.700 -0.146 0.000 2.456 128 N HA 0.641 5.388 4.740 0.012 0.000 0.296 128 N C -1.934 173.448 175.510 -0.213 0.000 1.102 128 N CA -0.470 52.439 53.050 -0.236 0.000 0.924 128 N CB 1.984 40.394 38.487 -0.128 0.000 1.186 128 N HN 0.647 nan 8.380 nan 0.000 0.492 129 V N 2.327 122.083 119.914 -0.264 0.000 2.531 129 V HA 0.286 4.413 4.120 0.012 0.000 0.301 129 V C -0.641 175.323 176.094 -0.217 0.000 1.034 129 V CA -0.982 61.169 62.300 -0.249 0.000 0.865 129 V CB 1.525 33.266 31.823 -0.137 0.000 0.995 129 V HN 0.709 nan 8.190 nan 0.000 0.424 130 D N 2.650 122.861 120.400 -0.316 0.000 2.399 130 D HA 0.077 4.724 4.640 0.012 0.000 0.241 130 D C 1.089 177.384 176.300 -0.008 0.000 1.133 130 D CA 0.115 54.025 54.000 -0.149 0.000 0.890 130 D CB 1.546 42.266 40.800 -0.134 0.000 1.201 130 D HN 0.730 nan 8.370 nan 0.000 0.432 131 E N 0.620 120.829 120.200 0.016 0.000 2.160 131 E HA -0.203 4.154 4.350 0.012 0.000 0.195 131 E C 1.720 178.383 176.600 0.105 0.000 0.991 131 E CA 1.339 57.771 56.400 0.054 0.000 0.810 131 E CB 0.197 29.915 29.700 0.031 0.000 0.742 131 E HN 0.468 nan 8.360 nan 0.000 0.466 132 S N -0.549 115.225 115.700 0.123 0.000 2.400 132 S HA -0.182 4.295 4.470 0.012 0.000 0.232 132 S C 1.514 176.204 174.600 0.149 0.000 1.025 132 S CA 0.907 59.182 58.200 0.126 0.000 0.993 132 S CB -0.633 62.640 63.200 0.122 0.000 0.808 132 S HN 0.398 nan 8.310 nan 0.000 0.478 133 W N 1.601 122.836 121.300 -0.109 0.000 2.465 133 W HA 0.344 5.012 4.660 0.012 0.000 0.268 133 W C 1.780 178.357 176.519 0.098 0.000 1.242 133 W CA -0.116 57.148 57.345 -0.134 0.000 1.248 133 W CB -0.516 28.942 29.460 -0.004 0.000 1.118 133 W HN 0.312 nan 8.180 nan 0.000 0.587 134 L N -0.229 121.165 121.223 0.285 0.000 2.585 134 L HA 0.050 4.397 4.340 0.012 0.000 0.226 134 L C 2.091 179.048 176.870 0.146 0.000 1.113 134 L CA 0.361 55.329 54.840 0.214 0.000 0.876 134 L CB -0.376 41.775 42.059 0.154 0.000 1.072 134 L HN -0.045 nan 8.230 nan 0.000 0.468 135 Q N 0.794 120.668 119.800 0.123 0.000 2.331 135 Q HA -0.000 4.347 4.340 0.012 0.000 0.203 135 Q C 0.152 176.203 176.000 0.084 0.000 0.944 135 Q CA 0.642 56.494 55.803 0.082 0.000 0.892 135 Q CB 0.526 29.299 28.738 0.059 0.000 0.983 135 Q HN 0.618 nan 8.270 nan 0.000 0.482 136 E N -1.525 118.749 120.200 0.123 0.000 2.430 136 E HA 0.516 4.873 4.350 0.012 0.000 0.279 136 E C -0.142 176.579 176.600 0.201 0.000 1.003 136 E CA -0.489 55.983 56.400 0.121 0.000 0.801 136 E CB 1.354 31.106 29.700 0.087 0.000 1.313 136 E HN 0.050 nan 8.360 nan 0.000 0.459 137 G N 0.699 109.543 108.800 0.073 0.000 2.697 137 G HA2 -0.287 3.680 3.960 0.012 0.000 0.240 137 G HA3 -0.287 3.680 3.960 0.012 0.000 0.240 137 G C -0.701 174.112 174.900 -0.144 0.000 1.346 137 G CA 0.248 45.297 45.100 -0.084 0.000 0.887 137 G HN 0.768 nan 8.290 nan 0.000 0.569 138 Q N -0.668 118.896 119.800 -0.393 0.000 2.353 138 Q HA 0.646 4.993 4.340 0.012 0.000 0.268 138 Q C -1.041 174.797 176.000 -0.269 0.000 1.045 138 Q CA -0.481 55.193 55.803 -0.215 0.000 0.811 138 Q CB 1.672 30.320 28.738 -0.150 0.000 1.305 138 Q HN 0.631 nan 8.270 nan 0.000 0.447 139 T N 4.672 119.243 114.554 0.029 0.000 2.791 139 T HA 0.488 4.845 4.350 0.012 0.000 0.288 139 T C -0.697 174.120 174.700 0.197 0.000 0.999 139 T CA -0.672 61.547 62.100 0.199 0.000 0.952 139 T CB 0.609 69.749 68.868 0.452 0.000 0.938 139 T HN 0.641 nan 8.240 nan 0.000 0.444 140 R N 2.811 123.413 120.500 0.170 0.000 2.832 140 R HA 0.790 5.137 4.340 0.012 0.000 0.271 140 R C -1.070 175.326 176.300 0.160 0.000 0.996 140 R CA -0.988 55.208 56.100 0.160 0.000 0.977 140 R CB 1.533 31.902 30.300 0.114 0.000 1.168 140 R HN 0.559 nan 8.270 nan 0.000 0.482 141 I N 2.295 122.960 120.570 0.158 0.000 2.460 141 I HA 0.444 4.621 4.170 0.012 0.000 0.298 141 I C -1.010 175.139 176.117 0.052 0.000 0.989 141 I CA -1.266 60.072 61.300 0.063 0.000 1.173 141 I CB 1.326 39.356 38.000 0.049 0.000 1.338 141 I HN 0.611 nan 8.210 nan 0.000 0.456 142 I N 7.059 127.558 120.570 -0.119 0.000 2.466 142 I HA 0.296 4.473 4.170 0.012 0.000 0.289 142 I C -1.325 174.624 176.117 -0.281 0.000 1.026 142 I CA -0.411 60.838 61.300 -0.085 0.000 1.078 142 I CB 1.618 39.580 38.000 -0.065 0.000 1.249 142 I HN 0.387 nan 8.210 nan 0.000 0.429 143 F N 4.502 124.422 119.950 -0.050 0.000 2.332 143 F HA 0.273 4.807 4.527 0.011 0.000 0.368 143 F C 1.292 176.969 175.800 -0.206 0.000 1.110 143 F CA -0.452 57.447 58.000 -0.168 0.000 1.087 143 F CB 0.920 39.769 39.000 -0.251 0.000 1.235 143 F HN 0.452 nan 8.300 nan 0.000 0.470 144 D N 2.370 122.681 120.400 -0.148 0.000 2.264 144 D HA 0.044 4.691 4.640 0.012 0.000 0.208 144 D C 0.959 177.090 176.300 -0.282 0.000 0.966 144 D CA 0.950 54.818 54.000 -0.219 0.000 0.864 144 D CB 0.376 40.992 40.800 -0.306 0.000 0.933 144 D HN 0.631 nan 8.370 nan 0.000 0.499 145 G N -0.494 108.078 108.800 -0.380 0.000 2.505 145 G HA2 0.423 4.390 3.960 0.012 0.000 0.292 145 G HA3 0.423 4.390 3.960 0.012 0.000 0.292 145 G C -1.496 173.133 174.900 -0.452 0.000 1.332 145 G CA -0.442 44.320 45.100 -0.562 0.000 1.286 145 G HN -0.056 nan 8.290 nan 0.000 0.606 146 V N 2.601 122.467 119.914 -0.079 0.000 2.525 146 V HA 0.536 4.663 4.120 0.012 0.000 0.299 146 V C -0.775 175.425 176.094 0.176 0.000 1.034 146 V CA -1.133 61.138 62.300 -0.049 0.000 0.863 146 V CB 1.864 33.420 31.823 -0.445 0.000 0.999 146 V HN 0.709 nan 8.190 nan 0.000 0.423 147 N N 2.581 121.383 118.700 0.171 0.000 2.443 147 N HA 0.329 5.076 4.740 0.012 0.000 0.269 147 N C 0.618 176.081 175.510 -0.078 0.000 0.985 147 N CA 0.112 53.171 53.050 0.014 0.000 0.921 147 N CB 2.242 40.587 38.487 -0.236 0.000 1.195 147 N HN 0.634 nan 8.380 nan 0.000 0.492 148 S N 1.962 117.646 115.700 -0.026 0.000 2.505 148 S HA 0.576 5.053 4.470 0.012 0.000 0.216 148 S C 0.323 174.985 174.600 0.103 0.000 1.018 148 S CA 0.119 58.351 58.200 0.053 0.000 0.911 148 S CB 0.293 63.541 63.200 0.081 0.000 0.818 148 S HN 0.693 nan 8.310 nan 0.000 0.497 149 A N 0.815 123.702 122.820 0.113 0.000 2.605 149 A HA 0.728 5.055 4.320 0.012 0.000 0.294 149 A C -1.320 176.307 177.584 0.072 0.000 1.062 149 A CA -0.979 51.061 52.037 0.004 0.000 0.682 149 A CB 0.776 19.828 19.000 0.088 0.000 1.278 149 A HN 1.058 nan 8.150 nan 0.000 0.410 150 F N -0.285 119.434 119.950 -0.385 0.000 2.678 150 F HA 0.753 5.287 4.527 0.011 0.000 0.308 150 F C -1.077 174.578 175.800 -0.243 0.000 1.118 150 F CA -0.762 57.123 58.000 -0.191 0.000 0.959 150 F CB 1.188 40.081 39.000 -0.179 0.000 1.305 150 F HN 0.621 nan 8.300 nan 0.000 0.443 151 H N 2.174 121.376 119.070 0.221 0.000 2.472 151 H HA 0.713 5.276 4.556 0.012 0.000 0.338 151 H C -1.370 173.923 175.328 -0.058 0.000 1.133 151 H CA -0.697 55.369 56.048 0.031 0.000 1.216 151 H CB 2.477 32.260 29.762 0.034 0.000 1.497 151 H HN 0.816 nan 8.280 nan 0.000 0.500 152 L N 2.867 123.854 121.223 -0.393 0.000 2.386 152 L HA 0.431 4.778 4.340 0.012 0.000 0.271 152 L C -1.633 174.901 176.870 -0.561 0.000 0.993 152 L CA -0.498 54.164 54.840 -0.297 0.000 0.819 152 L CB 1.643 43.422 42.059 -0.467 0.000 1.294 152 L HN 0.516 nan 8.230 nan 0.000 0.414 153 W N 4.111 125.353 121.300 -0.097 0.000 2.844 153 W HA 0.598 5.265 4.660 0.012 0.000 0.340 153 W C -1.186 175.252 176.519 -0.135 0.000 1.093 153 W CA -0.853 56.428 57.345 -0.107 0.000 1.212 153 W CB 2.071 31.510 29.460 -0.035 0.000 1.422 153 W HN 0.613 nan 8.180 nan 0.000 0.515 154 C N 4.380 123.732 119.300 0.087 0.000 2.397 154 C HA 0.303 4.770 4.460 0.012 0.000 0.325 154 C C 0.282 175.385 174.990 0.188 0.000 1.201 154 C CA -0.327 58.742 59.018 0.087 0.000 1.377 154 C CB -0.515 27.197 27.740 -0.048 0.000 2.038 154 C HN 0.809 nan 8.230 nan 0.000 0.457 155 N N 3.489 122.261 118.700 0.119 0.000 2.721 155 N HA -0.187 4.560 4.740 0.012 0.000 0.249 155 N C 0.959 176.532 175.510 0.106 0.000 1.072 155 N CA 2.059 55.160 53.050 0.087 0.000 0.710 155 N CB -1.312 37.238 38.487 0.106 0.000 0.993 155 N HN 1.815 nan 8.380 nan 0.000 0.547 156 G N -1.300 107.554 108.800 0.090 0.000 2.184 156 G HA2 -0.372 3.595 3.960 0.012 0.000 0.264 156 G HA3 -0.372 3.595 3.960 0.012 0.000 0.264 156 G C 0.141 175.206 174.900 0.276 0.000 0.975 156 G CA 0.718 45.869 45.100 0.085 0.000 0.642 156 G HN 0.564 nan 8.290 nan 0.000 0.536 157 R N -1.096 119.634 120.500 0.384 0.000 2.460 157 R HA 0.438 4.785 4.340 0.012 0.000 0.303 157 R C -0.302 176.331 176.300 0.555 0.000 0.968 157 R CA -0.897 55.504 56.100 0.502 0.000 0.889 157 R CB 1.186 31.802 30.300 0.527 0.000 1.123 157 R HN 0.191 nan 8.270 nan 0.000 0.455 158 W N 3.352 124.816 121.300 0.273 0.000 2.251 158 W HA 0.065 4.732 4.660 0.011 0.000 0.327 158 W C 0.111 176.554 176.519 -0.126 0.000 1.361 158 W CA 0.121 57.324 57.345 -0.236 0.000 1.234 158 W CB 0.669 29.989 29.460 -0.233 0.000 1.212 158 W HN 0.333 nan 8.180 nan 0.000 0.557 159 V N 5.272 124.462 119.914 -1.208 0.000 2.743 159 V HA 0.546 4.673 4.120 0.012 0.000 0.237 159 V C 1.069 176.165 176.094 -1.664 0.000 1.113 159 V CA 1.041 62.612 62.300 -1.216 0.000 1.141 159 V CB -0.364 30.757 31.823 -1.171 0.000 0.873 159 V HN 0.831 nan 8.190 nan 0.000 0.486 160 G N -1.781 105.793 108.800 -2.044 0.000 2.341 160 G HA2 0.441 4.408 3.960 0.012 0.000 0.299 160 G HA3 0.441 4.408 3.960 0.012 0.000 0.299 160 G C -2.401 172.083 174.900 -0.692 0.000 1.274 160 G CA -0.208 44.062 45.100 -1.383 0.000 0.853 160 G HN 0.021 nan 8.290 nan 0.000 0.493 161 Y N -0.518 119.554 120.300 -0.380 0.000 2.588 161 Y HA 0.706 5.263 4.550 0.012 0.000 0.343 161 Y C -0.064 175.581 175.900 -0.425 0.000 1.065 161 Y CA -0.011 57.776 58.100 -0.521 0.000 1.038 161 Y CB 2.288 40.584 38.460 -0.273 0.000 1.297 161 Y HN 1.269 nan 8.280 nan 0.000 0.467 162 G N 3.370 111.264 108.800 -1.510 0.000 2.733 162 G HA2 0.572 4.539 3.960 0.012 0.000 0.297 162 G HA3 0.572 4.539 3.960 0.012 0.000 0.297 162 G C -2.146 172.235 174.900 -0.864 0.000 1.422 162 G CA -0.838 43.701 45.100 -0.935 0.000 0.942 162 G HN 0.618 nan 8.290 nan 0.000 0.510 163 Q N -0.230 119.358 119.800 -0.353 0.000 2.552 163 Q HA 0.599 4.946 4.340 0.012 0.000 0.289 163 Q C -1.335 174.665 176.000 -0.001 0.000 1.097 163 Q CA -0.824 54.907 55.803 -0.121 0.000 0.812 163 Q CB 2.609 31.334 28.738 -0.022 0.000 1.460 163 Q HN 0.650 nan 8.270 nan 0.000 0.452 164 D N -0.246 120.192 120.400 0.063 0.000 4.303 164 D HA -0.097 4.550 4.640 0.012 0.000 0.230 164 D C -0.521 175.846 176.300 0.111 0.000 1.172 164 D CA 0.460 54.513 54.000 0.089 0.000 1.001 164 D CB -0.614 40.224 40.800 0.062 0.000 0.641 164 D HN 0.532 nan 8.370 nan 0.000 0.296 165 S N 3.165 118.947 115.700 0.136 0.000 2.547 165 S HA -0.065 4.412 4.470 0.012 0.000 0.235 165 S C 1.562 176.304 174.600 0.237 0.000 0.980 165 S CA 0.547 58.861 58.200 0.189 0.000 0.941 165 S CB 0.261 63.541 63.200 0.133 0.000 0.763 165 S HN 0.447 nan 8.310 nan 0.000 0.532 166 R N 0.069 120.665 120.500 0.160 0.000 2.508 166 R HA 0.447 4.794 4.340 0.012 0.000 0.300 166 R C -0.324 176.036 176.300 0.099 0.000 0.970 166 R CA 0.053 56.247 56.100 0.155 0.000 1.102 166 R CB 0.145 30.555 30.300 0.185 0.000 1.246 166 R HN 0.325 nan 8.270 nan 0.000 0.539 167 L N 1.289 122.542 121.223 0.050 0.000 2.350 167 L HA 0.528 4.875 4.340 0.012 0.000 0.260 167 L C -2.359 174.488 176.870 -0.038 0.000 1.015 167 L CA -2.258 52.581 54.840 -0.002 0.000 0.821 167 L CB 3.033 45.086 42.059 -0.010 0.000 1.370 167 L HN -0.188 nan 8.230 nan 0.000 0.416 168 P HA 0.128 nan 4.420 nan 0.000 0.275 168 P C -1.096 176.162 177.300 -0.070 0.000 1.228 168 P CA -0.274 62.774 63.100 -0.086 0.000 0.786 168 P CB 1.256 32.870 31.700 -0.144 0.000 0.927 169 S N 1.692 117.400 115.700 0.013 0.000 2.498 169 S HA 0.320 4.797 4.470 0.012 0.000 0.317 169 S C -0.468 174.077 174.600 -0.092 0.000 1.090 169 S CA -0.604 57.571 58.200 -0.041 0.000 1.089 169 S CB 0.901 64.276 63.200 0.293 0.000 0.997 169 S HN 0.375 nan 8.310 nan 0.000 0.470 170 E N 2.153 122.107 120.200 -0.410 0.000 2.210 170 E HA 0.524 4.881 4.350 0.012 0.000 0.266 170 E C -1.451 174.820 176.600 -0.548 0.000 0.883 170 E CA -0.503 55.735 56.400 -0.270 0.000 0.761 170 E CB 1.740 31.388 29.700 -0.086 0.000 1.156 170 E HN 0.416 nan 8.360 nan 0.000 0.412 171 F N 0.828 120.835 119.950 0.095 0.000 2.565 171 F HA 0.194 4.728 4.527 0.012 0.000 0.313 171 F C 0.072 175.901 175.800 0.048 0.000 1.091 171 F CA -1.082 56.942 58.000 0.039 0.000 0.915 171 F CB 1.693 40.691 39.000 -0.002 0.000 1.208 171 F HN 0.294 nan 8.300 nan 0.000 0.453 172 D N 3.212 123.749 120.400 0.228 0.000 2.325 172 D HA 0.225 4.872 4.640 0.012 0.000 0.251 172 D C 0.269 176.717 176.300 0.246 0.000 1.196 172 D CA 0.233 54.349 54.000 0.193 0.000 0.866 172 D CB 0.994 41.890 40.800 0.160 0.000 1.101 172 D HN 0.564 nan 8.370 nan 0.000 0.476 173 L N 2.840 124.210 121.223 0.245 0.000 2.667 173 L HA 0.040 4.387 4.340 0.012 0.000 0.232 173 L C 2.077 179.183 176.870 0.393 0.000 1.138 173 L CA -0.178 54.851 54.840 0.313 0.000 0.921 173 L CB 0.044 42.246 42.059 0.238 0.000 1.180 173 L HN 0.278 nan 8.230 nan 0.000 0.487 174 S N 1.377 117.251 115.700 0.290 0.000 2.372 174 S HA -0.274 4.203 4.470 0.012 0.000 0.227 174 S C 2.052 176.764 174.600 0.188 0.000 1.044 174 S CA 1.866 60.197 58.200 0.217 0.000 1.050 174 S CB -0.153 63.132 63.200 0.141 0.000 0.901 174 S HN 0.571 nan 8.310 nan 0.000 0.447 175 A N -0.526 122.389 122.820 0.159 0.000 2.238 175 A HA 0.305 4.632 4.320 0.012 0.000 0.208 175 A C 1.352 178.870 177.584 -0.110 0.000 1.177 175 A CA 0.357 52.382 52.037 -0.019 0.000 0.804 175 A CB -0.454 18.452 19.000 -0.157 0.000 0.823 175 A HN 0.477 nan 8.150 nan 0.000 0.482 176 F N -0.595 119.400 119.950 0.075 0.000 2.717 176 F HA 0.352 4.886 4.527 0.012 0.000 0.295 176 F C 0.768 176.605 175.800 0.063 0.000 1.117 176 F CA -0.031 58.011 58.000 0.070 0.000 1.361 176 F CB 0.057 39.105 39.000 0.081 0.000 1.112 176 F HN -0.007 nan 8.300 nan 0.000 0.594 177 L N 0.817 122.195 121.223 0.259 0.000 2.431 177 L HA 0.522 4.869 4.340 0.012 0.000 0.260 177 L C 0.156 177.071 176.870 0.075 0.000 1.098 177 L CA -0.765 54.168 54.840 0.155 0.000 0.800 177 L CB 1.108 43.272 42.059 0.174 0.000 1.210 177 L HN 0.010 nan 8.230 nan 0.000 0.465 178 R N 0.622 121.127 120.500 0.009 0.000 2.774 178 R HA 0.782 5.129 4.340 0.012 0.000 0.272 178 R C -1.163 175.114 176.300 -0.039 0.000 1.000 178 R CA -0.948 55.148 56.100 -0.006 0.000 0.906 178 R CB 1.469 31.757 30.300 -0.021 0.000 1.227 178 R HN 0.540 nan 8.270 nan 0.000 0.468 179 A N 1.156 123.961 122.820 -0.025 0.000 2.540 179 A HA 0.469 4.796 4.320 0.012 0.000 0.239 179 A C 1.127 178.662 177.584 -0.082 0.000 1.061 179 A CA 1.154 53.166 52.037 -0.043 0.000 0.758 179 A CB -0.763 18.224 19.000 -0.021 0.000 0.991 179 A HN 1.395 nan 8.150 nan 0.000 0.502 180 G N 1.765 110.498 108.800 -0.111 0.000 2.520 180 G HA2 -0.185 3.782 3.960 0.012 0.000 0.248 180 G HA3 -0.185 3.782 3.960 0.012 0.000 0.248 180 G C -0.161 174.613 174.900 -0.209 0.000 1.161 180 G CA 0.202 45.222 45.100 -0.134 0.000 0.946 180 G HN 1.025 nan 8.290 nan 0.000 0.565 181 E N 1.845 121.929 120.200 -0.192 0.000 2.344 181 E HA 0.403 4.760 4.350 0.012 0.000 0.270 181 E C -0.011 176.393 176.600 -0.326 0.000 1.021 181 E CA -0.002 56.244 56.400 -0.258 0.000 0.887 181 E CB 0.456 30.053 29.700 -0.172 0.000 0.997 181 E HN 0.422 nan 8.360 nan 0.000 0.429 182 N N 2.375 120.735 118.700 -0.567 0.000 2.321 182 N HA 0.382 5.129 4.740 0.012 0.000 0.290 182 N C -1.045 174.209 175.510 -0.427 0.000 1.212 182 N CA -0.736 51.971 53.050 -0.572 0.000 0.767 182 N CB 2.442 40.386 38.487 -0.905 0.000 1.494 182 N HN 0.300 nan 8.380 nan 0.000 0.479 183 R N 1.588 122.013 120.500 -0.126 0.000 2.532 183 R HA 0.481 4.828 4.340 0.012 0.000 0.297 183 R C -1.174 175.202 176.300 0.126 0.000 0.984 183 R CA -0.504 55.604 56.100 0.013 0.000 0.884 183 R CB 1.016 31.283 30.300 -0.056 0.000 1.182 183 R HN 0.479 nan 8.270 nan 0.000 0.442 184 L N 3.062 124.399 121.223 0.191 0.000 2.357 184 L HA 0.716 5.063 4.340 0.012 0.000 0.273 184 L C -0.133 176.779 176.870 0.071 0.000 1.080 184 L CA -0.872 54.060 54.840 0.152 0.000 0.803 184 L CB 1.808 43.937 42.059 0.117 0.000 1.174 184 L HN 0.753 nan 8.230 nan 0.000 0.443 185 A N 2.867 125.737 122.820 0.083 0.000 2.353 185 A HA 0.742 5.069 4.320 0.012 0.000 0.299 185 A C -1.026 176.805 177.584 0.412 0.000 1.089 185 A CA -0.448 51.538 52.037 -0.084 0.000 0.736 185 A CB 1.511 19.949 19.000 -0.935 0.000 1.195 185 A HN 0.375 nan 8.150 nan 0.000 0.447 186 V N 3.308 123.643 119.914 0.701 0.000 2.483 186 V HA 0.510 4.637 4.120 0.012 0.000 0.297 186 V C -0.146 176.458 176.094 0.849 0.000 1.027 186 V CA -0.297 62.406 62.300 0.671 0.000 0.855 186 V CB 1.569 33.605 31.823 0.355 0.000 0.995 186 V HN 0.963 nan 8.190 nan 0.000 0.424 187 M N 6.039 126.145 119.600 0.842 0.000 2.047 187 M HA 0.583 5.070 4.480 0.012 0.000 0.342 187 M C -1.538 175.012 176.300 0.418 0.000 1.058 187 M CA -0.409 55.231 55.300 0.567 0.000 0.991 187 M CB 1.183 34.168 32.600 0.642 0.000 1.474 187 M HN 0.473 nan 8.290 nan 0.000 0.419 188 V N 6.687 126.806 119.914 0.342 0.000 2.370 188 V HA 0.377 4.504 4.120 0.012 0.000 0.279 188 V C -0.152 176.102 176.094 0.267 0.000 1.029 188 V CA -0.652 61.856 62.300 0.347 0.000 0.870 188 V CB 1.330 33.453 31.823 0.500 0.000 0.984 188 V HN 0.798 nan 8.190 nan 0.000 0.451 189 L N 4.951 126.262 121.223 0.146 0.000 2.292 189 L HA 0.498 4.845 4.340 0.012 0.000 0.284 189 L C 1.578 178.468 176.870 0.033 0.000 1.065 189 L CA -0.217 54.636 54.840 0.022 0.000 0.806 189 L CB 0.930 42.901 42.059 -0.145 0.000 1.175 189 L HN 0.623 nan 8.230 nan 0.000 0.431 190 R N 2.786 123.255 120.500 -0.052 0.000 2.075 190 R HA -0.040 4.307 4.340 0.012 0.000 0.232 190 R C -0.316 175.678 176.300 -0.510 0.000 1.126 190 R CA 1.086 56.924 56.100 -0.437 0.000 0.963 190 R CB 0.200 30.081 30.300 -0.698 0.000 0.858 190 R HN 0.571 nan 8.270 nan 0.000 0.435 191 W N 0.474 121.838 121.300 0.106 0.000 2.551 191 W HA 0.410 5.076 4.660 0.011 0.000 0.330 191 W C -0.259 176.374 176.519 0.190 0.000 1.063 191 W CA -0.805 56.610 57.345 0.117 0.000 1.222 191 W CB 1.755 31.288 29.460 0.121 0.000 1.349 191 W HN 0.044 nan 8.180 nan 0.000 0.536 192 S N -0.933 115.055 115.700 0.479 0.000 2.672 192 S HA 0.202 4.679 4.470 0.012 0.000 0.271 192 S C 0.084 174.938 174.600 0.424 0.000 1.171 192 S CA -0.448 58.047 58.200 0.492 0.000 0.817 192 S CB 1.127 64.587 63.200 0.432 0.000 1.150 192 S HN 0.616 nan 8.310 nan 0.000 0.478 193 D N 0.266 120.920 120.400 0.424 0.000 2.310 193 D HA 0.091 4.738 4.640 0.012 0.000 0.212 193 D C 1.742 178.344 176.300 0.503 0.000 0.965 193 D CA 1.079 55.373 54.000 0.489 0.000 0.879 193 D CB -0.669 40.305 40.800 0.290 0.000 0.921 193 D HN 0.695 nan 8.370 nan 0.000 0.510 194 G N 0.147 109.167 108.800 0.367 0.000 2.443 194 G HA2 -0.246 3.721 3.960 0.012 0.000 0.219 194 G HA3 -0.246 3.721 3.960 0.012 0.000 0.219 194 G C 1.686 176.770 174.900 0.307 0.000 1.131 194 G CA 0.671 45.960 45.100 0.316 0.000 0.775 194 G HN 0.310 nan 8.290 nan 0.000 0.547 195 S N 0.009 115.878 115.700 0.282 0.000 2.419 195 S HA -0.105 4.372 4.470 0.012 0.000 0.233 195 S C 1.891 176.595 174.600 0.172 0.000 1.016 195 S CA 0.738 59.074 58.200 0.226 0.000 0.974 195 S CB -0.410 62.927 63.200 0.229 0.000 0.786 195 S HN 0.555 nan 8.310 nan 0.000 0.492 196 Y N 1.164 121.591 120.300 0.212 0.000 2.421 196 Y HA 0.079 4.635 4.550 0.012 0.000 0.292 196 Y C 1.560 177.576 175.900 0.193 0.000 1.136 196 Y CA 0.610 58.760 58.100 0.084 0.000 1.255 196 Y CB -0.226 38.122 38.460 -0.186 0.000 0.991 196 Y HN 0.194 nan 8.280 nan 0.000 0.552 197 L N -0.243 121.177 121.223 0.329 0.000 2.700 197 L HA 0.144 4.491 4.340 0.012 0.000 0.234 197 L C 0.007 177.019 176.870 0.237 0.000 1.156 197 L CA 0.359 55.347 54.840 0.247 0.000 0.946 197 L CB 0.090 42.297 42.059 0.245 0.000 1.216 197 L HN 0.133 nan 8.230 nan 0.000 0.493 198 E N -0.093 120.260 120.200 0.255 0.000 3.846 198 E HA 0.037 4.394 4.350 0.012 0.000 0.216 198 E C -0.451 176.259 176.600 0.182 0.000 1.092 198 E CA -0.070 56.464 56.400 0.222 0.000 1.370 198 E CB 0.498 30.321 29.700 0.205 0.000 1.227 198 E HN 0.043 nan 8.360 nan 0.000 0.442 199 D N 1.093 121.559 120.400 0.110 0.000 2.538 199 D HA 0.021 4.668 4.640 0.012 0.000 0.234 199 D C -0.167 176.131 176.300 -0.004 0.000 1.191 199 D CA -0.065 53.886 54.000 -0.083 0.000 0.828 199 D CB 0.157 40.641 40.800 -0.526 0.000 0.981 199 D HN 0.058 nan 8.370 nan 0.000 0.490 200 Q N 0.398 120.289 119.800 0.151 0.000 2.421 200 Q HA 0.114 4.461 4.340 0.012 0.000 0.255 200 Q C -0.134 175.987 176.000 0.202 0.000 1.013 200 Q CA 0.082 56.041 55.803 0.259 0.000 0.895 200 Q CB 0.602 29.644 28.738 0.507 0.000 1.271 200 Q HN 0.069 nan 8.270 nan 0.000 0.460 201 D N 2.868 123.418 120.400 0.249 0.000 2.441 201 D HA 0.174 4.821 4.640 0.012 0.000 0.243 201 D C -0.787 175.669 176.300 0.260 0.000 1.257 201 D CA 0.161 54.288 54.000 0.211 0.000 1.027 201 D CB -0.448 40.494 40.800 0.237 0.000 1.084 201 D HN 0.485 nan 8.370 nan 0.000 0.514 202 M N 0.274 119.990 119.600 0.193 0.000 3.147 202 M HA 0.389 4.876 4.480 0.012 0.000 0.276 202 M C -1.306 175.084 176.300 0.151 0.000 1.211 202 M CA -1.168 54.178 55.300 0.075 0.000 0.820 202 M CB 1.030 33.596 32.600 -0.056 0.000 1.621 202 M HN -0.089 nan 8.290 nan 0.000 0.507 203 W N 1.935 123.322 121.300 0.146 0.000 2.223 203 W HA 0.318 4.985 4.660 0.012 0.000 0.334 203 W C 0.261 176.804 176.519 0.041 0.000 1.334 203 W CA -0.020 57.402 57.345 0.129 0.000 1.246 203 W CB 0.365 29.842 29.460 0.029 0.000 1.184 203 W HN 0.282 nan 8.180 nan 0.000 0.563 204 R N 4.709 125.394 120.500 0.308 0.000 2.198 204 R HA 0.423 4.770 4.340 0.012 0.000 0.339 204 R C -0.127 176.183 176.300 0.017 0.000 1.020 204 R CA -0.225 55.975 56.100 0.166 0.000 0.864 204 R CB 0.250 30.722 30.300 0.286 0.000 1.105 204 R HN 0.560 nan 8.270 nan 0.000 0.463 205 M N 0.219 119.715 119.600 -0.173 0.000 2.777 205 M HA 0.528 5.015 4.480 0.012 0.000 0.288 205 M C -0.101 175.851 176.300 -0.580 0.000 1.181 205 M CA -0.845 54.230 55.300 -0.375 0.000 0.758 205 M CB 2.306 34.685 32.600 -0.368 0.000 1.757 205 M HN 0.631 nan 8.290 nan 0.000 0.453 206 S N -1.133 114.090 115.700 -0.795 0.000 2.587 206 S HA 0.944 5.421 4.470 0.012 0.000 0.269 206 S C -0.658 173.453 174.600 -0.815 0.000 1.154 206 S CA -0.189 57.475 58.200 -0.893 0.000 0.824 206 S CB 1.832 64.314 63.200 -1.196 0.000 1.118 206 S HN 1.469 nan 8.310 nan 0.000 0.462 207 G N -0.005 108.587 108.800 -0.347 0.000 2.343 207 G HA2 0.203 4.170 3.960 0.012 0.000 0.465 207 G HA3 0.203 4.170 3.960 0.012 0.000 0.465 207 G C -1.471 173.462 174.900 0.054 0.000 1.282 207 G CA -0.657 44.528 45.100 0.140 0.000 0.996 207 G HN 1.138 nan 8.290 nan 0.000 0.521 208 I N 2.028 122.464 120.570 -0.224 0.000 2.256 208 I HA 0.272 4.449 4.170 0.012 0.000 0.294 208 I C 1.109 177.090 176.117 -0.226 0.000 1.127 208 I CA -0.209 60.854 61.300 -0.396 0.000 1.247 208 I CB -0.183 37.310 38.000 -0.844 0.000 1.460 208 I HN 0.513 nan 8.210 nan 0.000 0.511 209 F N 4.353 124.158 119.950 -0.241 0.000 2.695 209 F HA 0.462 4.996 4.527 0.011 0.000 0.303 209 F C 0.665 176.386 175.800 -0.131 0.000 1.091 209 F CA -0.574 57.316 58.000 -0.184 0.000 1.300 209 F CB 0.118 39.013 39.000 -0.175 0.000 1.071 209 F HN 0.129 nan 8.300 nan 0.000 0.578 210 R N 0.453 120.497 120.500 -0.760 0.000 2.930 210 R HA 0.259 4.606 4.340 0.012 0.000 0.257 210 R C -0.791 175.293 176.300 -0.361 0.000 1.107 210 R CA -1.193 54.587 56.100 -0.533 0.000 0.999 210 R CB 0.712 30.635 30.300 -0.629 0.000 1.209 210 R HN -0.038 nan 8.270 nan 0.000 0.486 211 D N 0.719 120.953 120.400 -0.277 0.000 2.419 211 D HA 0.110 4.757 4.640 0.012 0.000 0.236 211 D C -0.449 175.697 176.300 -0.256 0.000 1.165 211 D CA 0.354 54.226 54.000 -0.214 0.000 0.882 211 D CB 0.719 41.423 40.800 -0.159 0.000 1.201 211 D HN -0.002 nan 8.370 nan 0.000 0.443 212 V N 0.983 120.753 119.914 -0.239 0.000 2.495 212 V HA 0.585 4.712 4.120 0.012 0.000 0.298 212 V C 0.108 176.064 176.094 -0.231 0.000 1.031 212 V CA -0.578 61.516 62.300 -0.342 0.000 0.871 212 V CB 1.596 33.212 31.823 -0.346 0.000 0.988 212 V HN 0.752 nan 8.190 nan 0.000 0.432 213 S N 4.450 119.995 115.700 -0.258 0.000 2.651 213 S HA 0.873 5.350 4.470 0.012 0.000 0.279 213 S C -1.495 173.044 174.600 -0.100 0.000 1.148 213 S CA -0.835 57.286 58.200 -0.131 0.000 0.837 213 S CB 2.158 65.316 63.200 -0.071 0.000 1.138 213 S HN 0.441 nan 8.310 nan 0.000 0.478 214 L N 1.346 122.576 121.223 0.011 0.000 2.365 214 L HA 0.799 5.146 4.340 0.012 0.000 0.273 214 L C -1.451 175.597 176.870 0.297 0.000 1.000 214 L CA -0.810 54.111 54.840 0.136 0.000 0.819 214 L CB 1.631 43.769 42.059 0.132 0.000 1.284 214 L HN 0.857 nan 8.230 nan 0.000 0.418 215 L N 4.188 125.570 121.223 0.265 0.000 2.381 215 L HA 0.475 4.822 4.340 0.012 0.000 0.274 215 L C -1.099 175.790 176.870 0.032 0.000 0.988 215 L CA -0.219 54.715 54.840 0.157 0.000 0.824 215 L CB 1.352 43.463 42.059 0.087 0.000 1.263 215 L HN 0.620 nan 8.230 nan 0.000 0.410 216 H N 5.369 124.219 119.070 -0.367 0.000 2.552 216 H HA 0.444 5.007 4.556 0.012 0.000 0.311 216 H C -1.157 173.965 175.328 -0.344 0.000 1.071 216 H CA -0.451 55.249 56.048 -0.579 0.000 1.307 216 H CB 1.017 29.898 29.762 -1.469 0.000 1.416 216 H HN 0.523 nan 8.280 nan 0.000 0.464 217 K N 5.421 125.451 120.400 -0.616 0.000 2.267 217 K HA 0.382 4.709 4.320 0.012 0.000 0.246 217 K C -2.627 173.723 176.600 -0.417 0.000 0.954 217 K CA -2.046 54.016 56.287 -0.374 0.000 0.824 217 K CB 1.981 34.331 32.500 -0.250 0.000 1.167 217 K HN 0.487 nan 8.250 nan 0.000 0.431 218 P HA 0.133 nan 4.420 nan 0.000 0.274 218 P C 0.522 177.745 177.300 -0.127 0.000 1.246 218 P CA -0.129 62.896 63.100 -0.126 0.000 0.795 218 P CB 0.437 32.102 31.700 -0.058 0.000 1.006 219 T N -1.094 113.413 114.554 -0.079 0.000 2.746 219 T HA -0.057 4.300 4.350 0.012 0.000 0.267 219 T C 0.617 175.279 174.700 -0.062 0.000 1.039 219 T CA 1.617 63.680 62.100 -0.063 0.000 1.142 219 T CB -0.598 68.253 68.868 -0.030 0.000 0.866 219 T HN 0.428 nan 8.240 nan 0.000 0.444 220 T N 3.642 118.165 114.554 -0.052 0.000 2.738 220 T HA 0.463 4.820 4.350 0.012 0.000 0.298 220 T C -0.244 174.414 174.700 -0.071 0.000 0.962 220 T CA -0.627 61.435 62.100 -0.064 0.000 0.972 220 T CB 0.684 69.530 68.868 -0.036 0.000 0.928 220 T HN 0.477 nan 8.240 nan 0.000 0.474 221 Q N 2.496 122.239 119.800 -0.096 0.000 2.565 221 Q HA 0.600 4.947 4.340 0.012 0.000 0.294 221 Q C -1.310 174.630 176.000 -0.100 0.000 1.005 221 Q CA -1.152 54.585 55.803 -0.110 0.000 0.771 221 Q CB 1.316 29.968 28.738 -0.142 0.000 1.486 221 Q HN 0.459 nan 8.270 nan 0.000 0.422 222 I N 2.605 123.092 120.570 -0.138 0.000 2.379 222 I HA 0.041 4.218 4.170 0.012 0.000 0.290 222 I C 0.781 176.819 176.117 -0.131 0.000 1.063 222 I CA -0.014 61.231 61.300 -0.092 0.000 1.351 222 I CB 1.160 39.066 38.000 -0.155 0.000 1.410 222 I HN 0.876 nan 8.210 nan 0.000 0.505 223 S N 2.732 118.466 115.700 0.057 0.000 2.517 223 S HA 0.189 4.666 4.470 0.012 0.000 0.214 223 S C 0.203 175.025 174.600 0.370 0.000 0.991 223 S CA -0.225 58.075 58.200 0.166 0.000 0.906 223 S CB 0.242 63.494 63.200 0.088 0.000 0.789 223 S HN 0.714 nan 8.310 nan 0.000 0.513 224 D N -0.308 120.318 120.400 0.376 0.000 2.728 224 D HA 0.507 5.154 4.640 0.012 0.000 0.249 224 D C -1.904 174.643 176.300 0.411 0.000 1.225 224 D CA -0.736 53.491 54.000 0.378 0.000 0.748 224 D CB 1.466 42.375 40.800 0.182 0.000 1.326 224 D HN 0.205 nan 8.370 nan 0.000 0.426 225 F N -0.770 119.339 119.950 0.266 0.000 2.650 225 F HA 0.574 5.108 4.527 0.012 0.000 0.310 225 F C -1.493 174.518 175.800 0.351 0.000 1.112 225 F CA -0.788 57.323 58.000 0.184 0.000 0.986 225 F CB 1.398 40.487 39.000 0.148 0.000 1.285 225 F HN 0.230 nan 8.300 nan 0.000 0.440 226 H N 1.964 121.113 119.070 0.133 0.000 2.609 226 H HA 0.689 5.251 4.556 0.011 0.000 0.344 226 H C -1.316 174.055 175.328 0.071 0.000 1.040 226 H CA -1.356 54.700 56.048 0.014 0.000 1.216 226 H CB 2.687 32.438 29.762 -0.018 0.000 1.529 226 H HN 0.576 nan 8.280 nan 0.000 0.519 227 V N 2.642 122.642 119.914 0.145 0.000 2.417 227 V HA 0.576 4.703 4.120 0.012 0.000 0.291 227 V C -0.057 176.022 176.094 -0.025 0.000 1.024 227 V CA -0.553 61.791 62.300 0.074 0.000 0.861 227 V CB 1.210 33.078 31.823 0.074 0.000 0.985 227 V HN 0.878 nan 8.190 nan 0.000 0.436 228 A N 3.469 126.254 122.820 -0.059 0.000 2.380 228 A HA 0.960 5.287 4.320 0.012 0.000 0.315 228 A C -0.076 177.390 177.584 -0.196 0.000 1.101 228 A CA -0.529 51.450 52.037 -0.097 0.000 0.771 228 A CB 1.895 20.863 19.000 -0.054 0.000 1.287 228 A HN 0.920 nan 8.150 nan 0.000 0.436 229 T N -0.164 114.250 114.554 -0.233 0.000 2.881 229 T HA 0.722 5.079 4.350 0.012 0.000 0.291 229 T C -0.568 173.897 174.700 -0.391 0.000 0.990 229 T CA -0.664 61.191 62.100 -0.410 0.000 0.976 229 T CB 0.968 69.464 68.868 -0.620 0.000 0.970 229 T HN 0.698 nan 8.240 nan 0.000 0.438 230 R N 1.889 122.083 120.500 -0.510 0.000 2.778 230 R HA 0.803 5.150 4.340 0.012 0.000 0.277 230 R C -1.197 174.690 176.300 -0.689 0.000 0.977 230 R CA -0.783 55.092 56.100 -0.374 0.000 0.950 230 R CB 1.688 31.894 30.300 -0.157 0.000 1.165 230 R HN 0.554 nan 8.270 nan 0.000 0.474 231 F N 0.294 120.223 119.950 -0.035 0.000 2.611 231 F HA 0.356 4.889 4.527 0.010 0.000 0.324 231 F C 0.521 176.190 175.800 -0.217 0.000 1.061 231 F CA -1.078 56.846 58.000 -0.127 0.000 0.954 231 F CB 1.090 39.898 39.000 -0.321 0.000 1.301 231 F HN 0.539 nan 8.300 nan 0.000 0.482 232 N N -0.093 118.594 118.700 -0.020 0.000 2.364 232 N HA 0.058 4.805 4.740 0.012 0.000 0.264 232 N C 0.416 175.786 175.510 -0.234 0.000 1.263 232 N CA -0.182 52.815 53.050 -0.087 0.000 0.959 232 N CB 0.096 38.559 38.487 -0.039 0.000 1.204 232 N HN 0.662 nan 8.380 nan 0.000 0.550 233 D N -1.358 118.952 120.400 -0.149 0.000 2.182 233 D HA -0.237 4.410 4.640 0.012 0.000 0.201 233 D C 0.259 176.477 176.300 -0.137 0.000 0.986 233 D CA 1.556 55.468 54.000 -0.146 0.000 0.847 233 D CB -0.524 40.251 40.800 -0.042 0.000 0.942 233 D HN 0.742 nan 8.370 nan 0.000 0.467 234 D N -1.526 118.843 120.400 -0.051 0.000 2.501 234 D HA 0.033 4.680 4.640 0.012 0.000 0.226 234 D C 0.048 176.516 176.300 0.281 0.000 1.198 234 D CA -1.035 53.051 54.000 0.143 0.000 0.830 234 D CB -1.093 39.783 40.800 0.127 0.000 1.014 234 D HN 0.195 nan 8.370 nan 0.000 0.496 235 F N 0.442 120.448 119.950 0.095 0.000 3.034 235 F HA -0.300 4.234 4.527 0.011 0.000 0.286 235 F C 1.683 177.563 175.800 0.134 0.000 0.804 235 F CA 0.853 58.919 58.000 0.110 0.000 1.161 235 F CB -2.460 36.497 39.000 -0.070 0.000 1.317 235 F HN 0.228 nan 8.300 nan 0.000 0.453 236 S N -1.146 114.674 115.700 0.199 0.000 2.528 236 S HA 0.268 4.745 4.470 0.012 0.000 0.219 236 S C 0.657 175.321 174.600 0.107 0.000 0.985 236 S CA 0.037 58.320 58.200 0.137 0.000 0.914 236 S CB 0.400 63.654 63.200 0.089 0.000 0.776 236 S HN 0.472 nan 8.310 nan 0.000 0.526 237 R N 0.027 120.597 120.500 0.118 0.000 2.698 237 R HA 0.822 5.169 4.340 0.012 0.000 0.275 237 R C -1.277 175.065 176.300 0.071 0.000 1.001 237 R CA -0.386 55.750 56.100 0.060 0.000 0.896 237 R CB 2.180 32.487 30.300 0.012 0.000 1.218 237 R HN 0.232 nan 8.270 nan 0.000 0.462 238 A N 1.318 124.122 122.820 -0.025 0.000 2.527 238 A HA 0.776 5.103 4.320 0.012 0.000 0.293 238 A C -1.375 176.135 177.584 -0.124 0.000 1.117 238 A CA -0.696 51.238 52.037 -0.171 0.000 0.723 238 A CB 2.079 20.978 19.000 -0.168 0.000 1.313 238 A HN 0.326 nan 8.150 nan 0.000 0.411 239 V N 1.238 121.047 119.914 -0.176 0.000 2.483 239 V HA 0.435 4.562 4.120 0.012 0.000 0.297 239 V C -0.608 175.414 176.094 -0.120 0.000 1.027 239 V CA -0.340 61.896 62.300 -0.108 0.000 0.855 239 V CB 1.408 33.168 31.823 -0.106 0.000 0.995 239 V HN 0.806 nan 8.190 nan 0.000 0.424 240 L N 4.976 126.167 121.223 -0.053 0.000 2.265 240 L HA 0.571 4.918 4.340 0.012 0.000 0.288 240 L C -0.019 176.800 176.870 -0.085 0.000 1.058 240 L CA 0.129 54.905 54.840 -0.106 0.000 0.809 240 L CB 0.784 42.812 42.059 -0.052 0.000 1.179 240 L HN 0.646 nan 8.230 nan 0.000 0.429 241 E N 4.785 124.931 120.200 -0.090 0.000 2.165 241 E HA 0.582 4.939 4.350 0.012 0.000 0.266 241 E C -1.094 175.490 176.600 -0.025 0.000 0.889 241 E CA -0.759 55.608 56.400 -0.055 0.000 0.756 241 E CB 1.984 31.653 29.700 -0.051 0.000 1.131 241 E HN 0.690 nan 8.360 nan 0.000 0.411 242 A N 3.716 126.530 122.820 -0.009 0.000 2.311 242 A HA 0.292 4.619 4.320 0.012 0.000 0.306 242 A C -0.503 177.095 177.584 0.023 0.000 1.189 242 A CA -0.660 51.401 52.037 0.039 0.000 0.791 242 A CB 0.899 19.918 19.000 0.032 0.000 1.172 242 A HN 0.672 nan 8.150 nan 0.000 0.481 243 E N 2.744 122.970 120.200 0.044 0.000 2.174 243 E HA 0.561 4.918 4.350 0.012 0.000 0.282 243 E C -1.420 175.187 176.600 0.011 0.000 0.992 243 E CA -0.393 55.993 56.400 -0.024 0.000 0.803 243 E CB 1.239 30.883 29.700 -0.094 0.000 1.090 243 E HN 0.360 nan 8.360 nan 0.000 0.396 244 V N 4.190 124.107 119.914 0.006 0.000 2.604 244 V HA 0.302 4.429 4.120 0.012 0.000 0.305 244 V C -0.455 175.723 176.094 0.139 0.000 1.043 244 V CA -0.808 61.548 62.300 0.094 0.000 0.888 244 V CB 1.706 33.557 31.823 0.047 0.000 0.995 244 V HN 0.773 nan 8.190 nan 0.000 0.429 245 Q N 3.373 123.270 119.800 0.161 0.000 2.342 245 Q HA 0.822 5.169 4.340 0.012 0.000 0.267 245 Q C -0.780 175.314 176.000 0.156 0.000 1.038 245 Q CA -0.764 55.130 55.803 0.152 0.000 0.832 245 Q CB 2.067 30.824 28.738 0.031 0.000 1.323 245 Q HN 0.821 nan 8.270 nan 0.000 0.448 246 M N 0.493 120.119 119.600 0.043 0.000 2.777 246 M HA 0.756 5.243 4.480 0.012 0.000 0.307 246 M C -1.359 174.868 176.300 -0.121 0.000 1.228 246 M CA -0.531 54.704 55.300 -0.108 0.000 0.871 246 M CB 1.697 34.034 32.600 -0.438 0.000 1.721 246 M HN 0.494 nan 8.290 nan 0.000 0.487 247 C N 0.496 119.728 119.300 -0.114 0.000 2.802 247 C HA 1.014 5.481 4.460 0.012 0.000 0.307 247 C C 0.672 175.594 174.990 -0.112 0.000 1.222 247 C CA 0.663 59.629 59.018 -0.088 0.000 1.580 247 C CB 1.042 28.756 27.740 -0.043 0.000 2.119 247 C HN 1.379 nan 8.230 nan 0.000 0.479 248 G N 1.599 110.341 108.800 -0.097 0.000 2.384 248 G HA2 -0.075 3.892 3.960 0.012 0.000 0.200 248 G HA3 -0.075 3.892 3.960 0.012 0.000 0.200 248 G C -0.641 174.196 174.900 -0.105 0.000 1.205 248 G CA -0.323 44.724 45.100 -0.089 0.000 1.116 248 G HN 0.889 nan 8.290 nan 0.000 0.547 249 E N 0.820 120.965 120.200 -0.091 0.000 1.944 249 E HA 0.348 4.705 4.350 0.012 0.000 0.272 249 E C 0.262 176.764 176.600 -0.165 0.000 1.195 249 E CA -0.312 56.035 56.400 -0.087 0.000 0.926 249 E CB -0.148 29.538 29.700 -0.023 0.000 1.051 249 E HN 0.399 nan 8.360 nan 0.000 0.404 250 L N 5.769 126.875 121.223 -0.194 0.000 2.325 250 L HA 0.275 4.622 4.340 0.012 0.000 0.284 250 L C -0.134 176.574 176.870 -0.271 0.000 1.089 250 L CA 0.021 54.700 54.840 -0.268 0.000 0.836 250 L CB 0.100 42.030 42.059 -0.215 0.000 1.184 250 L HN 0.483 nan 8.230 nan 0.000 0.444 251 R N 2.502 122.752 120.500 -0.417 0.000 2.808 251 R HA 0.209 4.556 4.340 0.012 0.000 0.272 251 R C -0.142 175.851 176.300 -0.512 0.000 0.995 251 R CA -0.816 54.972 56.100 -0.519 0.000 0.917 251 R CB 1.380 31.020 30.300 -1.101 0.000 1.217 251 R HN 0.466 nan 8.270 nan 0.000 0.471 252 D N 0.798 121.014 120.400 -0.307 0.000 2.310 252 D HA -0.113 4.534 4.640 0.012 0.000 0.212 252 D C 1.431 177.678 176.300 -0.088 0.000 0.965 252 D CA 1.352 55.269 54.000 -0.139 0.000 0.879 252 D CB 0.139 40.917 40.800 -0.036 0.000 0.921 252 D HN 0.517 nan 8.370 nan 0.000 0.510 253 Y N -0.529 119.783 120.300 0.020 0.000 2.546 253 Y HA 0.281 4.839 4.550 0.012 0.000 0.287 253 Y C 0.731 176.642 175.900 0.019 0.000 1.158 253 Y CA -0.473 57.639 58.100 0.019 0.000 1.307 253 Y CB -0.820 37.651 38.460 0.018 0.000 1.036 253 Y HN -0.206 nan 8.280 nan 0.000 0.532 254 L N 2.434 123.603 121.223 -0.089 0.000 2.417 254 L HA 0.378 4.725 4.340 0.012 0.000 0.268 254 L C 0.139 177.052 176.870 0.072 0.000 1.158 254 L CA -0.316 54.571 54.840 0.079 0.000 0.819 254 L CB 0.595 42.672 42.059 0.031 0.000 1.112 254 L HN 0.137 nan 8.230 nan 0.000 0.458 255 R N 1.519 121.961 120.500 -0.097 0.000 2.764 255 R HA 0.650 4.997 4.340 0.012 0.000 0.270 255 R C -1.550 174.478 176.300 -0.454 0.000 1.014 255 R CA -0.811 55.085 56.100 -0.340 0.000 0.904 255 R CB 2.044 32.010 30.300 -0.557 0.000 1.236 255 R HN 0.251 nan 8.270 nan 0.000 0.466 256 V N 0.905 120.562 119.914 -0.428 0.000 2.540 256 V HA 0.490 4.617 4.120 0.012 0.000 0.302 256 V C -0.343 175.708 176.094 -0.070 0.000 1.035 256 V CA -0.483 61.664 62.300 -0.254 0.000 0.873 256 V CB 2.244 33.867 31.823 -0.334 0.000 0.992 256 V HN 0.696 nan 8.190 nan 0.000 0.428 257 T N 4.321 118.959 114.554 0.139 0.000 2.792 257 T HA 0.583 4.940 4.350 0.012 0.000 0.280 257 T C -0.604 174.124 174.700 0.046 0.000 0.990 257 T CA -0.301 61.882 62.100 0.138 0.000 0.960 257 T CB 1.552 70.543 68.868 0.206 0.000 0.939 257 T HN 0.330 nan 8.240 nan 0.000 0.439 258 V N 4.143 124.061 119.914 0.006 0.000 2.417 258 V HA 0.643 4.770 4.120 0.012 0.000 0.291 258 V C -0.006 176.098 176.094 0.016 0.000 1.024 258 V CA -0.732 61.567 62.300 -0.001 0.000 0.861 258 V CB 1.721 33.527 31.823 -0.027 0.000 0.985 258 V HN 1.040 nan 8.190 nan 0.000 0.436 259 S N 5.464 121.205 115.700 0.067 0.000 2.513 259 S HA 0.844 5.321 4.470 0.012 0.000 0.299 259 S C -1.081 173.586 174.600 0.110 0.000 1.087 259 S CA -0.755 57.477 58.200 0.053 0.000 1.012 259 S CB 2.064 65.332 63.200 0.114 0.000 1.044 259 S HN 0.542 nan 8.310 nan 0.000 0.485 260 L N 2.729 123.913 121.223 -0.065 0.000 2.333 260 L HA 0.795 5.142 4.340 0.012 0.000 0.280 260 L C -1.960 174.865 176.870 -0.075 0.000 1.004 260 L CA -0.308 54.575 54.840 0.072 0.000 0.820 260 L CB 0.812 42.904 42.059 0.055 0.000 1.247 260 L HN 0.886 nan 8.230 nan 0.000 0.416 261 W N 3.630 125.039 121.300 0.181 0.000 2.736 261 W HA 0.575 5.242 4.660 0.012 0.000 0.335 261 W C -0.498 176.126 176.519 0.175 0.000 1.059 261 W CA -0.457 56.971 57.345 0.138 0.000 1.226 261 W CB 1.410 30.903 29.460 0.054 0.000 1.416 261 W HN 0.393 nan 8.180 nan 0.000 0.505 262 Q N 2.572 122.527 119.800 0.258 0.000 2.413 262 Q HA 0.461 4.808 4.340 0.012 0.000 0.258 262 Q C 0.729 176.770 176.000 0.068 0.000 1.037 262 Q CA 0.473 56.269 55.803 -0.011 0.000 0.764 262 Q CB 0.765 29.419 28.738 -0.139 0.000 1.217 262 Q HN 0.806 nan 8.270 nan 0.000 0.490 263 G N 3.399 112.239 108.800 0.066 0.000 2.574 263 G HA2 -0.370 3.597 3.960 0.012 0.000 0.286 263 G HA3 -0.370 3.597 3.960 0.012 0.000 0.286 263 G C 0.376 175.372 174.900 0.161 0.000 1.212 263 G CA 0.446 45.588 45.100 0.070 0.000 0.979 263 G HN 0.727 nan 8.290 nan 0.000 0.557 264 E N 0.698 120.981 120.200 0.138 0.000 2.502 264 E HA 0.173 4.530 4.350 0.012 0.000 0.194 264 E C 0.500 177.325 176.600 0.374 0.000 1.062 264 E CA 0.612 57.134 56.400 0.203 0.000 0.867 264 E CB 0.066 29.823 29.700 0.094 0.000 0.888 264 E HN 0.350 nan 8.360 nan 0.000 0.510 265 T N 0.888 115.609 114.554 0.278 0.000 2.799 265 T HA 0.128 4.485 4.350 0.012 0.000 0.286 265 T C -0.298 174.386 174.700 -0.027 0.000 0.973 265 T CA -0.449 61.736 62.100 0.142 0.000 1.035 265 T CB 1.621 70.518 68.868 0.048 0.000 0.932 265 T HN 0.025 nan 8.240 nan 0.000 0.469 266 Q N 2.604 122.128 119.800 -0.461 0.000 2.294 266 Q HA 0.335 4.682 4.340 0.012 0.000 0.257 266 Q C 0.905 176.638 176.000 -0.445 0.000 0.955 266 Q CA -0.507 54.692 55.803 -1.007 0.000 0.936 266 Q CB 0.832 28.763 28.738 -1.345 0.000 1.188 266 Q HN 0.680 nan 8.270 nan 0.000 0.420 267 V N 0.981 120.706 119.914 -0.314 0.000 3.125 267 V HA 0.600 4.727 4.120 0.012 0.000 0.249 267 V C 0.294 176.298 176.094 -0.150 0.000 1.113 267 V CA 0.782 62.998 62.300 -0.140 0.000 1.106 267 V CB 0.150 31.981 31.823 0.014 0.000 0.768 267 V HN 0.651 nan 8.190 nan 0.000 0.468 268 A N -0.850 121.855 122.820 -0.192 0.000 2.601 268 A HA 0.833 5.160 4.320 0.012 0.000 0.291 268 A C -0.669 176.820 177.584 -0.158 0.000 1.075 268 A CA 0.204 52.155 52.037 -0.143 0.000 0.671 268 A CB 1.569 20.514 19.000 -0.091 0.000 1.277 268 A HN 0.713 nan 8.150 nan 0.000 0.417 269 S N -1.208 114.426 115.700 -0.111 0.000 2.552 269 S HA 0.775 5.252 4.470 0.012 0.000 0.272 269 S C -0.655 173.913 174.600 -0.054 0.000 1.150 269 S CA 0.214 58.362 58.200 -0.085 0.000 0.849 269 S CB 1.646 64.786 63.200 -0.100 0.000 1.113 269 S HN 2.350 nan 8.310 nan 0.000 0.458 270 G N 1.524 110.303 108.800 -0.036 0.000 2.733 270 G HA2 0.636 4.603 3.960 0.012 0.000 0.297 270 G HA3 0.636 4.603 3.960 0.012 0.000 0.297 270 G C -1.423 173.466 174.900 -0.017 0.000 1.422 270 G CA -0.397 44.684 45.100 -0.031 0.000 0.942 270 G HN 0.699 nan 8.290 nan 0.000 0.510 271 T N -0.061 114.485 114.554 -0.012 0.000 2.876 271 T HA 0.853 5.210 4.350 0.012 0.000 0.289 271 T C -0.265 174.407 174.700 -0.046 0.000 1.014 271 T CA -0.076 62.025 62.100 0.002 0.000 0.986 271 T CB 1.817 70.724 68.868 0.064 0.000 1.021 271 T HN 1.507 nan 8.240 nan 0.000 0.458 272 A N 3.496 126.255 122.820 -0.102 0.000 2.612 272 A HA 0.912 5.239 4.320 0.012 0.000 0.293 272 A C -3.076 174.391 177.584 -0.196 0.000 1.075 272 A CA -1.603 50.356 52.037 -0.129 0.000 0.680 272 A CB 1.357 20.272 19.000 -0.142 0.000 1.279 272 A HN 0.533 nan 8.150 nan 0.000 0.411 273 P HA 0.558 nan 4.420 nan 0.000 0.279 273 P C -0.646 176.548 177.300 -0.177 0.000 1.276 273 P CA -0.317 62.712 63.100 -0.118 0.000 0.801 273 P CB 0.392 32.074 31.700 -0.030 0.000 1.127 274 F N -0.373 119.534 119.950 -0.072 0.000 2.406 274 F HA 0.490 5.024 4.527 0.012 0.000 0.327 274 F C 1.428 177.206 175.800 -0.036 0.000 1.153 274 F CA 1.375 59.343 58.000 -0.053 0.000 1.218 274 F CB 0.273 39.234 39.000 -0.064 0.000 1.215 274 F HN 0.573 nan 8.300 nan 0.000 0.570 275 G N 1.488 110.397 108.800 0.182 0.000 2.781 275 G HA2 0.326 4.293 3.960 0.012 0.000 0.468 275 G HA3 0.326 4.293 3.960 0.012 0.000 0.468 275 G C -0.336 174.607 174.900 0.071 0.000 1.186 275 G CA -0.753 44.415 45.100 0.113 0.000 1.220 275 G HN 1.044 nan 8.290 nan 0.000 0.564 276 G N 1.082 109.945 108.800 0.105 0.000 2.651 276 G HA2 0.603 4.570 3.960 0.012 0.000 0.260 276 G HA3 0.603 4.570 3.960 0.012 0.000 0.260 276 G C 0.606 175.540 174.900 0.058 0.000 1.216 276 G CA 0.098 45.248 45.100 0.082 0.000 0.913 276 G HN 0.983 nan 8.290 nan 0.000 0.535 277 E N -0.449 119.777 120.200 0.043 0.000 2.428 277 E HA 0.041 4.398 4.350 0.012 0.000 0.257 277 E C 0.232 176.852 176.600 0.033 0.000 1.197 277 E CA -0.392 56.025 56.400 0.028 0.000 0.974 277 E CB 0.650 30.363 29.700 0.021 0.000 0.976 277 E HN 0.322 nan 8.360 nan 0.000 0.463 278 I N 1.269 121.847 120.570 0.014 0.000 2.710 278 I HA -0.127 4.050 4.170 0.012 0.000 0.286 278 I C 1.222 177.346 176.117 0.012 0.000 1.181 278 I CA -0.006 61.296 61.300 0.002 0.000 1.430 278 I CB 0.298 38.295 38.000 -0.005 0.000 1.367 278 I HN 0.409 nan 8.210 nan 0.000 0.577 279 I N 3.595 124.167 120.570 0.004 0.000 3.300 279 I HA 0.096 4.273 4.170 0.012 0.000 0.279 279 I C 0.436 176.554 176.117 0.002 0.000 1.172 279 I CA 0.870 62.184 61.300 0.023 0.000 1.431 279 I CB -0.665 37.352 38.000 0.027 0.000 1.240 279 I HN 0.685 nan 8.210 nan 0.000 0.453 280 D N -1.253 119.134 120.400 -0.022 0.000 2.946 280 D HA 0.115 4.762 4.640 0.012 0.000 0.337 280 D C 0.332 176.615 176.300 -0.028 0.000 1.332 280 D CA -0.413 53.575 54.000 -0.021 0.000 0.935 280 D CB 0.577 41.365 40.800 -0.020 0.000 1.440 280 D HN -0.275 nan 8.370 nan 0.000 0.540 281 E N -1.081 119.104 120.200 -0.025 0.000 2.265 281 E HA -0.009 4.348 4.350 0.012 0.000 0.196 281 E C 1.313 177.893 176.600 -0.033 0.000 0.996 281 E CA 0.896 57.282 56.400 -0.024 0.000 0.832 281 E CB 0.007 29.696 29.700 -0.018 0.000 0.756 281 E HN 0.200 nan 8.360 nan 0.000 0.491 282 R N -0.371 120.101 120.500 -0.047 0.000 2.334 282 R HA 0.292 4.639 4.340 0.012 0.000 0.216 282 R C 0.782 177.039 176.300 -0.072 0.000 0.905 282 R CA 0.693 56.759 56.100 -0.058 0.000 1.064 282 R CB 0.661 30.921 30.300 -0.067 0.000 1.046 282 R HN 0.212 nan 8.270 nan 0.000 0.508 283 G N -0.651 108.108 108.800 -0.068 0.000 2.358 283 G HA2 -0.090 3.877 3.960 0.012 0.000 0.198 283 G HA3 -0.090 3.877 3.960 0.012 0.000 0.198 283 G C -0.266 174.579 174.900 -0.092 0.000 1.220 283 G CA -0.606 44.452 45.100 -0.069 0.000 1.187 283 G HN 0.467 nan 8.290 nan 0.000 0.544 284 G N -2.005 106.733 108.800 -0.103 0.000 3.022 284 G HA2 0.633 4.600 3.960 0.012 0.000 0.284 284 G HA3 0.633 4.600 3.960 0.012 0.000 0.284 284 G C -1.614 173.169 174.900 -0.194 0.000 1.375 284 G CA -0.701 44.335 45.100 -0.106 0.000 0.902 284 G HN 0.775 nan 8.290 nan 0.000 0.538 285 Y N 1.158 121.464 120.300 0.010 0.000 2.556 285 Y HA 0.416 4.973 4.550 0.011 0.000 0.352 285 Y C 1.463 177.385 175.900 0.036 0.000 1.006 285 Y CA 0.184 58.294 58.100 0.018 0.000 1.277 285 Y CB 1.603 40.076 38.460 0.022 0.000 1.136 285 Y HN 0.543 nan 8.280 nan 0.000 0.523 286 A N 1.721 124.597 122.820 0.093 0.000 2.168 286 A HA -0.129 4.198 4.320 0.012 0.000 0.215 286 A C 1.333 178.983 177.584 0.110 0.000 1.152 286 A CA 1.301 53.385 52.037 0.079 0.000 0.716 286 A CB -0.266 18.739 19.000 0.007 0.000 0.794 286 A HN 0.780 nan 8.150 nan 0.000 0.465 287 D N -1.051 119.425 120.400 0.127 0.000 2.388 287 D HA 0.132 4.779 4.640 0.012 0.000 0.221 287 D C 0.498 176.942 176.300 0.240 0.000 1.133 287 D CA -0.050 53.966 54.000 0.028 0.000 0.831 287 D CB 0.029 40.814 40.800 -0.025 0.000 0.962 287 D HN 0.338 nan 8.370 nan 0.000 0.502 288 R N -0.543 120.190 120.500 0.389 0.000 2.837 288 R HA 0.732 5.079 4.340 0.012 0.000 0.271 288 R C -1.598 174.829 176.300 0.213 0.000 0.993 288 R CA -1.135 55.154 56.100 0.316 0.000 0.931 288 R CB 3.169 33.527 30.300 0.096 0.000 1.206 288 R HN -0.016 nan 8.270 nan 0.000 0.474 289 V N 0.593 120.495 119.914 -0.020 0.000 2.932 289 V HA 0.474 4.601 4.120 0.012 0.000 0.307 289 V C -1.426 174.584 176.094 -0.140 0.000 1.147 289 V CA -0.258 61.930 62.300 -0.186 0.000 0.951 289 V CB 2.641 34.144 31.823 -0.534 0.000 1.031 289 V HN 0.789 nan 8.190 nan 0.000 0.426 290 T N 7.739 122.231 114.554 -0.104 0.000 2.786 290 T HA 0.579 4.936 4.350 0.012 0.000 0.283 290 T C -0.921 173.730 174.700 -0.081 0.000 0.992 290 T CA -0.384 61.669 62.100 -0.077 0.000 0.954 290 T CB 1.006 69.843 68.868 -0.051 0.000 0.934 290 T HN 0.433 nan 8.240 nan 0.000 0.440 291 L N 3.883 125.061 121.223 -0.075 0.000 2.309 291 L HA 0.551 4.898 4.340 0.012 0.000 0.282 291 L C 0.465 177.304 176.870 -0.052 0.000 1.036 291 L CA -0.342 54.457 54.840 -0.068 0.000 0.806 291 L CB 1.295 43.314 42.059 -0.067 0.000 1.220 291 L HN 0.538 nan 8.230 nan 0.000 0.429 292 R N 3.777 124.247 120.500 -0.049 0.000 2.360 292 R HA 0.620 4.967 4.340 0.012 0.000 0.318 292 R C -1.305 174.969 176.300 -0.045 0.000 0.950 292 R CA -0.953 55.119 56.100 -0.047 0.000 0.837 292 R CB 1.859 32.132 30.300 -0.046 0.000 1.165 292 R HN 0.237 nan 8.270 nan 0.000 0.458 293 L N 2.962 124.160 121.223 -0.042 0.000 2.313 293 L HA 0.345 4.692 4.340 0.012 0.000 0.283 293 L C -0.172 176.675 176.870 -0.039 0.000 1.013 293 L CA -0.600 54.216 54.840 -0.039 0.000 0.816 293 L CB 1.415 43.455 42.059 -0.031 0.000 1.236 293 L HN 0.440 nan 8.230 nan 0.000 0.419 294 N N 2.352 121.024 118.700 -0.046 0.000 2.499 294 N HA 0.459 5.206 4.740 0.012 0.000 0.281 294 N C -0.955 174.517 175.510 -0.064 0.000 1.098 294 N CA -0.202 52.817 53.050 -0.051 0.000 0.979 294 N CB 2.197 40.655 38.487 -0.047 0.000 1.121 294 N HN 0.214 nan 8.380 nan 0.000 0.466 295 V N 2.090 121.954 119.914 -0.083 0.000 2.525 295 V HA 0.194 4.321 4.120 0.012 0.000 0.299 295 V C -0.115 175.907 176.094 -0.120 0.000 1.034 295 V CA -0.846 61.369 62.300 -0.142 0.000 0.863 295 V CB 1.992 33.639 31.823 -0.294 0.000 0.999 295 V HN 0.457 nan 8.190 nan 0.000 0.423 296 E N 2.798 122.948 120.200 -0.082 0.000 2.301 296 E HA 0.325 4.682 4.350 0.012 0.000 0.275 296 E C 0.247 176.828 176.600 -0.033 0.000 1.030 296 E CA -0.360 56.014 56.400 -0.042 0.000 0.852 296 E CB 0.729 30.414 29.700 -0.026 0.000 1.060 296 E HN 0.733 nan 8.360 nan 0.000 0.401 297 N N 1.314 120.017 118.700 0.005 0.000 2.688 297 N HA -0.153 4.594 4.740 0.012 0.000 0.258 297 N C -2.479 173.040 175.510 0.015 0.000 1.016 297 N CA 0.128 53.196 53.050 0.031 0.000 0.747 297 N CB -0.884 37.619 38.487 0.026 0.000 0.895 297 N HN 0.291 nan 8.380 nan 0.000 0.543 298 P HA 0.006 nan 4.420 nan 0.000 0.269 298 P C -0.463 176.874 177.300 0.061 0.000 1.209 298 P CA 0.321 63.347 63.100 -0.123 0.000 0.776 298 P CB 0.745 32.188 31.700 -0.429 0.000 0.876 299 K N 2.524 123.027 120.400 0.173 0.000 2.316 299 K HA 0.290 4.617 4.320 0.012 0.000 0.289 299 K C 0.194 176.942 176.600 0.246 0.000 1.070 299 K CA -0.394 55.987 56.287 0.156 0.000 0.928 299 K CB 0.204 32.755 32.500 0.084 0.000 1.039 299 K HN 0.430 nan 8.250 nan 0.000 0.480 300 L N 2.548 123.847 121.223 0.127 0.000 2.395 300 L HA 0.290 4.637 4.340 0.012 0.000 0.269 300 L C 0.015 176.960 176.870 0.125 0.000 1.133 300 L CA -0.791 54.127 54.840 0.130 0.000 0.812 300 L CB 0.426 42.396 42.059 -0.148 0.000 1.125 300 L HN 0.599 nan 8.230 nan 0.000 0.452 301 W N 2.925 124.255 121.300 0.050 0.000 2.376 301 W HA 0.486 5.152 4.660 0.011 0.000 0.322 301 W C 0.004 176.474 176.519 -0.081 0.000 1.160 301 W CA 0.115 57.476 57.345 0.026 0.000 1.218 301 W CB 1.331 30.862 29.460 0.118 0.000 1.205 301 W HN 0.616 nan 8.180 nan 0.000 0.559 302 S N 2.758 117.909 115.700 -0.914 0.000 2.643 302 S HA 0.647 5.124 4.470 0.012 0.000 0.270 302 S C 0.083 173.861 174.600 -1.369 0.000 1.166 302 S CA -0.359 57.350 58.200 -0.818 0.000 0.815 302 S CB 1.076 64.089 63.200 -0.311 0.000 1.139 302 S HN 0.990 nan 8.310 nan 0.000 0.472 303 A N 0.437 122.621 122.820 -1.060 0.000 2.014 303 A HA 0.075 4.402 4.320 0.012 0.000 0.218 303 A C 1.775 179.036 177.584 -0.537 0.000 1.163 303 A CA 1.421 52.872 52.037 -0.976 0.000 0.652 303 A CB -0.989 17.306 19.000 -1.174 0.000 0.808 303 A HN 0.868 nan 8.150 nan 0.000 0.449 304 E N -0.830 119.193 120.200 -0.296 0.000 2.047 304 E HA -0.018 4.339 4.350 0.012 0.000 0.191 304 E C -0.338 176.126 176.600 -0.227 0.000 0.987 304 E CA 0.812 57.102 56.400 -0.184 0.000 0.799 304 E CB -0.028 29.692 29.700 0.033 0.000 0.752 304 E HN 0.613 nan 8.360 nan 0.000 0.449 305 I N 1.424 121.832 120.570 -0.270 0.000 2.583 305 I HA 0.139 4.316 4.170 0.012 0.000 0.276 305 I C -2.454 173.441 176.117 -0.369 0.000 1.089 305 I CA -1.798 59.363 61.300 -0.231 0.000 1.103 305 I CB 2.230 40.142 38.000 -0.147 0.000 1.209 305 I HN -0.192 nan 8.210 nan 0.000 0.484 306 P HA 0.074 nan 4.420 nan 0.000 0.225 306 P C -0.596 176.678 177.300 -0.042 0.000 1.768 306 P CA -0.214 62.569 63.100 -0.529 0.000 0.943 306 P CB -0.266 31.276 31.700 -0.264 0.000 1.936 307 N N 1.579 120.274 118.700 -0.008 0.000 2.454 307 N HA 0.126 4.873 4.740 0.012 0.000 0.260 307 N C 0.139 175.860 175.510 0.352 0.000 1.218 307 N CA 0.492 53.614 53.050 0.119 0.000 0.904 307 N CB 0.738 39.287 38.487 0.104 0.000 1.065 307 N HN 0.297 nan 8.380 nan 0.000 0.462 308 L N 2.077 123.435 121.223 0.225 0.000 2.371 308 L HA 0.478 4.825 4.340 0.012 0.000 0.262 308 L C -0.844 176.124 176.870 0.163 0.000 1.006 308 L CA -0.854 54.175 54.840 0.315 0.000 0.818 308 L CB 1.358 43.571 42.059 0.256 0.000 1.354 308 L HN 0.389 nan 8.230 nan 0.000 0.415 309 Y N 0.118 120.575 120.300 0.261 0.000 2.650 309 Y HA 0.669 5.226 4.550 0.012 0.000 0.331 309 Y C -0.211 175.815 175.900 0.210 0.000 1.082 309 Y CA -0.789 57.461 58.100 0.250 0.000 1.171 309 Y CB 1.671 40.340 38.460 0.348 0.000 1.326 309 Y HN 0.377 nan 8.280 nan 0.000 0.513 310 R N 0.989 121.728 120.500 0.398 0.000 2.480 310 R HA 0.792 5.139 4.340 0.012 0.000 0.306 310 R C -1.660 174.826 176.300 0.310 0.000 0.958 310 R CA -0.508 55.754 56.100 0.270 0.000 0.861 310 R CB 1.072 31.468 30.300 0.160 0.000 1.171 310 R HN 0.730 nan 8.270 nan 0.000 0.445 311 A N 3.836 126.784 122.820 0.212 0.000 2.292 311 A HA 0.629 4.956 4.320 0.012 0.000 0.319 311 A C -1.002 176.639 177.584 0.095 0.000 1.206 311 A CA -0.645 51.496 52.037 0.175 0.000 0.835 311 A CB 1.284 20.352 19.000 0.113 0.000 1.164 311 A HN 0.491 nan 8.150 nan 0.000 0.505 312 V N 3.238 123.215 119.914 0.105 0.000 2.417 312 V HA 0.385 4.512 4.120 0.012 0.000 0.291 312 V C -0.356 175.712 176.094 -0.043 0.000 1.024 312 V CA -0.489 61.808 62.300 -0.005 0.000 0.861 312 V CB 1.641 33.468 31.823 0.005 0.000 0.985 312 V HN 0.615 nan 8.190 nan 0.000 0.436 313 V N 4.804 124.628 119.914 -0.150 0.000 2.311 313 V HA 0.397 4.524 4.120 0.012 0.000 0.275 313 V C -0.006 176.036 176.094 -0.087 0.000 1.022 313 V CA -0.576 61.617 62.300 -0.178 0.000 0.830 313 V CB 1.115 32.679 31.823 -0.433 0.000 1.012 313 V HN 0.914 nan 8.190 nan 0.000 0.452 314 E N 3.817 124.020 120.200 0.006 0.000 2.156 314 E HA 0.482 4.839 4.350 0.012 0.000 0.279 314 E C -0.926 175.771 176.600 0.161 0.000 0.965 314 E CA -0.842 55.608 56.400 0.083 0.000 0.789 314 E CB 2.395 32.161 29.700 0.110 0.000 1.098 314 E HN 0.469 nan 8.360 nan 0.000 0.397 315 L N 4.796 126.096 121.223 0.129 0.000 2.264 315 L HA 0.370 4.717 4.340 0.012 0.000 0.289 315 L C -1.010 175.978 176.870 0.198 0.000 1.044 315 L CA 0.071 54.988 54.840 0.129 0.000 0.807 315 L CB 0.015 42.130 42.059 0.095 0.000 1.192 315 L HN 0.651 nan 8.230 nan 0.000 0.425 316 H N 0.179 119.308 119.070 0.099 0.000 2.990 316 H HA 0.694 5.257 4.556 0.012 0.000 0.336 316 H C -0.682 174.728 175.328 0.138 0.000 1.306 316 H CA -0.529 55.574 56.048 0.091 0.000 1.118 316 H CB 0.520 30.314 29.762 0.053 0.000 1.856 316 H HN 0.523 nan 8.280 nan 0.000 0.538 317 T N -1.605 113.100 114.554 0.252 0.000 2.868 317 T HA 0.445 4.802 4.350 0.012 0.000 0.292 317 T C 1.499 176.360 174.700 0.268 0.000 1.028 317 T CA -0.270 61.968 62.100 0.230 0.000 1.059 317 T CB 1.318 70.236 68.868 0.084 0.000 0.991 317 T HN 0.937 nan 8.240 nan 0.000 0.531 318 A N 1.270 124.208 122.820 0.196 0.000 1.940 318 A HA -0.084 4.243 4.320 0.012 0.000 0.219 318 A C 1.835 179.523 177.584 0.174 0.000 1.176 318 A CA 1.588 53.733 52.037 0.180 0.000 0.631 318 A CB -0.880 18.195 19.000 0.125 0.000 0.814 318 A HN 0.866 nan 8.150 nan 0.000 0.446 319 D N -1.561 118.908 120.400 0.115 0.000 2.363 319 D HA 0.285 4.933 4.640 0.012 0.000 0.226 319 D C 1.255 177.588 176.300 0.055 0.000 1.020 319 D CA 1.184 55.223 54.000 0.064 0.000 0.892 319 D CB 0.144 40.959 40.800 0.025 0.000 0.900 319 D HN 0.631 nan 8.370 nan 0.000 0.531 320 G N -0.434 108.424 108.800 0.097 0.000 2.205 320 G HA2 -0.197 3.770 3.960 0.012 0.000 0.180 320 G HA3 -0.197 3.770 3.960 0.012 0.000 0.180 320 G C 0.378 175.296 174.900 0.029 0.000 1.004 320 G CA -0.243 44.879 45.100 0.038 0.000 0.670 320 G HN 0.236 nan 8.290 nan 0.000 0.496 321 T N 1.796 116.391 114.554 0.068 0.000 2.743 321 T HA 0.523 4.880 4.350 0.012 0.000 0.293 321 T C 0.147 174.905 174.700 0.098 0.000 0.945 321 T CA -0.219 61.912 62.100 0.051 0.000 1.030 321 T CB 1.866 70.751 68.868 0.027 0.000 0.912 321 T HN 0.573 nan 8.240 nan 0.000 0.483 322 L N 5.376 126.635 121.223 0.060 0.000 2.361 322 L HA 0.359 4.706 4.340 0.012 0.000 0.278 322 L C 0.846 177.762 176.870 0.078 0.000 1.113 322 L CA 0.298 55.188 54.840 0.083 0.000 0.849 322 L CB -0.037 42.041 42.059 0.031 0.000 1.155 322 L HN 0.694 nan 8.230 nan 0.000 0.452 323 I N 3.118 123.749 120.570 0.101 0.000 2.270 323 I HA 0.023 4.200 4.170 0.012 0.000 0.239 323 I C 0.433 176.575 176.117 0.041 0.000 1.080 323 I CA 0.819 62.159 61.300 0.067 0.000 1.383 323 I CB 0.048 38.093 38.000 0.074 0.000 1.097 323 I HN 0.819 nan 8.210 nan 0.000 0.420 324 E N -0.081 120.145 120.200 0.043 0.000 2.416 324 E HA 0.722 5.079 4.350 0.012 0.000 0.280 324 E C -1.453 175.171 176.600 0.040 0.000 1.055 324 E CA -1.112 55.306 56.400 0.030 0.000 0.825 324 E CB 1.756 31.443 29.700 -0.022 0.000 1.312 324 E HN 0.007 nan 8.360 nan 0.000 0.452 325 A N 1.175 124.042 122.820 0.078 0.000 2.414 325 A HA 0.696 5.023 4.320 0.012 0.000 0.306 325 A C -0.987 176.699 177.584 0.170 0.000 1.054 325 A CA -0.733 51.348 52.037 0.073 0.000 0.724 325 A CB 1.637 20.671 19.000 0.055 0.000 1.267 325 A HN 0.512 nan 8.150 nan 0.000 0.418 326 E N -0.313 119.921 120.200 0.057 0.000 2.355 326 E HA 0.868 5.225 4.350 0.012 0.000 0.261 326 E C -0.455 176.177 176.600 0.053 0.000 0.943 326 E CA -0.466 56.029 56.400 0.159 0.000 0.806 326 E CB 2.354 32.045 29.700 -0.015 0.000 1.286 326 E HN 1.283 nan 8.360 nan 0.000 0.424 327 A N -0.254 122.707 122.820 0.234 0.000 2.544 327 A HA 0.673 5.000 4.320 0.012 0.000 0.291 327 A C -1.245 176.526 177.584 0.312 0.000 1.055 327 A CA -0.332 51.775 52.037 0.117 0.000 0.651 327 A CB 0.576 19.575 19.000 -0.001 0.000 1.296 327 A HN 0.884 nan 8.150 nan 0.000 0.431 328 C N -0.590 118.849 119.300 0.231 0.000 3.311 328 C HA 0.811 5.278 4.460 0.012 0.000 0.325 328 C C -1.416 173.674 174.990 0.167 0.000 1.352 328 C CA -0.906 58.255 59.018 0.239 0.000 1.308 328 C CB 1.092 28.998 27.740 0.277 0.000 1.619 328 C HN 0.828 nan 8.230 nan 0.000 0.469 329 D N 1.094 121.579 120.400 0.142 0.000 2.304 329 D HA 0.558 5.205 4.640 0.012 0.000 0.250 329 D C -0.325 176.039 176.300 0.107 0.000 1.107 329 D CA 0.182 54.268 54.000 0.144 0.000 0.885 329 D CB 1.855 42.742 40.800 0.145 0.000 1.192 329 D HN 0.555 nan 8.370 nan 0.000 0.436 330 V N 1.177 121.187 119.914 0.160 0.000 2.555 330 V HA 0.681 4.808 4.120 0.012 0.000 0.302 330 V C 0.591 176.780 176.094 0.158 0.000 1.038 330 V CA -0.844 61.502 62.300 0.077 0.000 0.887 330 V CB 2.060 33.917 31.823 0.056 0.000 0.991 330 V HN 0.604 nan 8.190 nan 0.000 0.434 331 G N 2.910 111.697 108.800 -0.020 0.000 2.502 331 G HA2 0.597 4.564 3.960 0.012 0.000 0.311 331 G HA3 0.597 4.564 3.960 0.012 0.000 0.311 331 G C -0.982 174.020 174.900 0.171 0.000 1.270 331 G CA -0.399 44.776 45.100 0.124 0.000 0.948 331 G HN 0.429 nan 8.290 nan 0.000 0.487 332 F N 4.183 124.335 119.950 0.336 0.000 2.468 332 F HA 0.391 4.924 4.527 0.011 0.000 0.356 332 F C 1.178 177.237 175.800 0.432 0.000 1.167 332 F CA -0.054 58.203 58.000 0.429 0.000 1.135 332 F CB 0.537 39.812 39.000 0.459 0.000 1.197 332 F HN 0.437 nan 8.300 nan 0.000 0.569 333 R N 2.984 123.776 120.500 0.486 0.000 2.680 333 R HA 0.411 4.758 4.340 0.012 0.000 0.269 333 R C -1.739 174.744 176.300 0.305 0.000 1.026 333 R CA -0.812 55.434 56.100 0.243 0.000 0.889 333 R CB 1.524 31.995 30.300 0.286 0.000 1.241 333 R HN 0.569 nan 8.270 nan 0.000 0.463 334 E N 2.215 122.505 120.200 0.150 0.000 2.171 334 E HA 0.450 4.807 4.350 0.012 0.000 0.271 334 E C -1.189 175.499 176.600 0.147 0.000 0.916 334 E CA -0.896 55.664 56.400 0.267 0.000 0.774 334 E CB 2.013 31.953 29.700 0.400 0.000 1.128 334 E HN 0.399 nan 8.360 nan 0.000 0.403 335 V N 5.784 125.773 119.914 0.125 0.000 2.384 335 V HA 0.559 4.686 4.120 0.012 0.000 0.287 335 V C -0.150 175.990 176.094 0.077 0.000 1.020 335 V CA -0.599 61.744 62.300 0.072 0.000 0.850 335 V CB 1.149 32.992 31.823 0.033 0.000 0.987 335 V HN 0.737 nan 8.190 nan 0.000 0.436 336 R N 4.364 124.906 120.500 0.069 0.000 2.663 336 R HA 0.701 5.048 4.340 0.012 0.000 0.267 336 R C -2.124 174.208 176.300 0.053 0.000 1.038 336 R CA -0.907 55.236 56.100 0.070 0.000 0.886 336 R CB 1.915 32.270 30.300 0.092 0.000 1.249 336 R HN 0.523 nan 8.270 nan 0.000 0.463 337 I N 1.451 122.052 120.570 0.051 0.000 2.354 337 I HA 0.345 4.522 4.170 0.012 0.000 0.292 337 I C -0.636 175.507 176.117 0.043 0.000 0.989 337 I CA -0.437 60.887 61.300 0.039 0.000 1.188 337 I CB 1.882 39.907 38.000 0.041 0.000 1.342 337 I HN 0.708 nan 8.210 nan 0.000 0.457 338 E N 5.718 125.940 120.200 0.037 0.000 2.278 338 E HA 0.268 4.625 4.350 0.012 0.000 0.272 338 E C -0.296 176.321 176.600 0.028 0.000 0.890 338 E CA -0.505 55.918 56.400 0.038 0.000 0.770 338 E CB 0.975 30.703 29.700 0.047 0.000 1.212 338 E HN 0.527 nan 8.360 nan 0.000 0.415 339 N N 3.189 121.905 118.700 0.026 0.000 2.725 339 N HA -0.228 4.519 4.740 0.012 0.000 0.249 339 N C 0.453 175.971 175.510 0.014 0.000 1.103 339 N CA 2.063 55.125 53.050 0.020 0.000 0.707 339 N CB -1.135 37.362 38.487 0.018 0.000 1.043 339 N HN 0.974 nan 8.380 nan 0.000 0.553 340 G N -2.310 106.499 108.800 0.015 0.000 2.176 340 G HA2 -0.277 3.690 3.960 0.012 0.000 0.253 340 G HA3 -0.277 3.690 3.960 0.012 0.000 0.253 340 G C -0.107 174.791 174.900 -0.003 0.000 0.979 340 G CA 0.442 45.547 45.100 0.008 0.000 0.641 340 G HN 0.440 nan 8.290 nan 0.000 0.530 341 L N 0.179 121.401 121.223 -0.001 0.000 2.346 341 L HA 0.710 5.057 4.340 0.012 0.000 0.274 341 L C 0.057 176.920 176.870 -0.011 0.000 1.007 341 L CA -1.338 53.493 54.840 -0.015 0.000 0.818 341 L CB 1.872 43.923 42.059 -0.014 0.000 1.284 341 L HN 0.102 nan 8.230 nan 0.000 0.424 342 L N 4.440 125.644 121.223 -0.030 0.000 2.278 342 L HA 0.446 4.793 4.340 0.012 0.000 0.287 342 L C -0.838 176.012 176.870 -0.032 0.000 1.072 342 L CA 0.400 55.223 54.840 -0.028 0.000 0.819 342 L CB 0.349 42.377 42.059 -0.052 0.000 1.176 342 L HN 0.385 nan 8.230 nan 0.000 0.435 343 L N 5.825 127.047 121.223 -0.002 0.000 2.334 343 L HA 0.552 4.899 4.340 0.012 0.000 0.273 343 L C -0.837 176.044 176.870 0.019 0.000 1.013 343 L CA -0.851 53.996 54.840 0.012 0.000 0.816 343 L CB 1.940 44.030 42.059 0.051 0.000 1.278 343 L HN 0.542 nan 8.230 nan 0.000 0.431 344 L N 3.536 124.781 121.223 0.036 0.000 2.349 344 L HA 0.478 4.825 4.340 0.012 0.000 0.278 344 L C -0.208 176.680 176.870 0.030 0.000 0.996 344 L CA -0.052 54.818 54.840 0.050 0.000 0.825 344 L CB 0.978 43.085 42.059 0.080 0.000 1.243 344 L HN 0.596 nan 8.230 nan 0.000 0.412 345 N N 4.091 122.676 118.700 -0.191 0.000 2.721 345 N HA -0.222 4.525 4.740 0.012 0.000 0.249 345 N C 0.905 176.048 175.510 -0.612 0.000 1.072 345 N CA 1.317 53.906 53.050 -0.769 0.000 0.710 345 N CB -1.315 36.601 38.487 -0.952 0.000 0.993 345 N HN 1.175 nan 8.380 nan 0.000 0.547 346 G N -2.273 106.481 108.800 -0.076 0.000 2.179 346 G HA2 -0.343 3.624 3.960 0.012 0.000 0.260 346 G HA3 -0.343 3.624 3.960 0.012 0.000 0.260 346 G C -0.041 174.902 174.900 0.072 0.000 0.977 346 G CA 0.866 46.037 45.100 0.119 0.000 0.641 346 G HN 0.392 nan 8.290 nan 0.000 0.533 347 K N 0.576 121.010 120.400 0.056 0.000 2.259 347 K HA 0.596 4.923 4.320 0.012 0.000 0.249 347 K C -2.775 173.810 176.600 -0.024 0.000 0.942 347 K CA -2.463 53.822 56.287 -0.004 0.000 0.816 347 K CB 2.245 34.684 32.500 -0.102 0.000 1.155 347 K HN 0.017 nan 8.250 nan 0.000 0.428 348 P HA 0.212 nan 4.420 nan 0.000 0.276 348 P C -0.116 177.127 177.300 -0.095 0.000 1.253 348 P CA -0.227 62.834 63.100 -0.064 0.000 0.766 348 P CB 0.473 32.137 31.700 -0.061 0.000 0.845 349 L N 3.319 124.480 121.223 -0.104 0.000 2.453 349 L HA 0.295 4.642 4.340 0.012 0.000 0.261 349 L C 0.613 177.403 176.870 -0.133 0.000 1.179 349 L CA -0.616 54.149 54.840 -0.125 0.000 0.813 349 L CB 0.325 42.266 42.059 -0.198 0.000 1.110 349 L HN 0.255 nan 8.230 nan 0.000 0.466 350 L N 3.565 124.725 121.223 -0.105 0.000 2.388 350 L HA 0.422 4.769 4.340 0.012 0.000 0.267 350 L C -0.552 176.267 176.870 -0.085 0.000 0.995 350 L CA -0.225 54.537 54.840 -0.130 0.000 0.864 350 L CB 0.877 42.888 42.059 -0.081 0.000 1.216 350 L HN 0.241 nan 8.230 nan 0.000 0.430 351 I N 5.071 125.521 120.570 -0.200 0.000 2.436 351 I HA 0.210 4.387 4.170 0.012 0.000 0.289 351 I C 0.559 176.633 176.117 -0.072 0.000 1.083 351 I CA 0.181 61.375 61.300 -0.176 0.000 1.372 351 I CB 0.437 38.203 38.000 -0.390 0.000 1.408 351 I HN 0.560 nan 8.210 nan 0.000 0.516 352 R N 4.832 125.371 120.500 0.065 0.000 3.070 352 R HA 0.431 4.778 4.340 0.012 0.000 0.252 352 R C 0.500 176.916 176.300 0.193 0.000 1.370 352 R CA -0.291 55.887 56.100 0.129 0.000 1.482 352 R CB 0.895 31.087 30.300 -0.179 0.000 1.220 352 R HN 0.766 nan 8.270 nan 0.000 0.622 353 G N 0.239 109.130 108.800 0.152 0.000 2.491 353 G HA2 0.566 4.533 3.960 0.012 0.000 0.327 353 G HA3 0.566 4.533 3.960 0.012 0.000 0.327 353 G C -1.225 174.013 174.900 0.564 0.000 1.189 353 G CA -0.430 44.761 45.100 0.151 0.000 0.956 353 G HN 0.237 nan 8.290 nan 0.000 0.491 354 V N 0.064 120.280 119.914 0.504 0.000 3.012 354 V HA 0.457 4.584 4.120 0.012 0.000 0.307 354 V C -1.134 175.106 176.094 0.243 0.000 1.166 354 V CA -1.227 61.240 62.300 0.278 0.000 0.974 354 V CB 2.229 33.916 31.823 -0.226 0.000 1.040 354 V HN 0.761 nan 8.190 nan 0.000 0.428 355 N N 4.298 123.064 118.700 0.111 0.000 2.514 355 N HA 0.423 5.170 4.740 0.012 0.000 0.277 355 N C -0.714 174.637 175.510 -0.265 0.000 1.126 355 N CA -0.249 52.739 53.050 -0.103 0.000 0.978 355 N CB 1.431 39.839 38.487 -0.131 0.000 1.106 355 N HN 0.637 nan 8.380 nan 0.000 0.461 356 R N 2.220 122.526 120.500 -0.323 0.000 2.514 356 R HA 0.227 4.574 4.340 0.012 0.000 0.296 356 R C -0.943 175.135 176.300 -0.370 0.000 1.012 356 R CA -0.564 55.367 56.100 -0.282 0.000 0.897 356 R CB 0.876 30.983 30.300 -0.322 0.000 1.184 356 R HN 0.575 nan 8.270 nan 0.000 0.440 357 H N 2.151 121.094 119.070 -0.213 0.000 2.505 357 H HA 0.144 4.707 4.556 0.012 0.000 0.355 357 H C -0.497 174.835 175.328 0.007 0.000 1.179 357 H CA 0.036 56.040 56.048 -0.073 0.000 1.343 357 H CB 1.469 31.244 29.762 0.022 0.000 1.501 357 H HN 0.565 nan 8.280 nan 0.000 0.569 358 E N 1.800 122.192 120.200 0.320 0.000 2.001 358 E HA 0.119 4.476 4.350 0.012 0.000 0.279 358 E C -0.768 175.984 176.600 0.253 0.000 1.045 358 E CA -0.076 56.432 56.400 0.179 0.000 0.833 358 E CB 0.397 30.220 29.700 0.204 0.000 1.077 358 E HN 0.383 nan 8.360 nan 0.000 0.397 359 H N 1.744 120.875 119.070 0.103 0.000 2.865 359 H HA 0.263 4.826 4.556 0.012 0.000 0.362 359 H C -1.692 173.697 175.328 0.103 0.000 1.114 359 H CA -0.641 55.466 56.048 0.098 0.000 1.208 359 H CB 1.085 30.896 29.762 0.081 0.000 1.727 359 H HN 0.410 nan 8.280 nan 0.000 0.534 360 H N 6.052 124.722 119.070 -0.667 0.000 2.667 360 H HA 0.224 4.787 4.556 0.012 0.000 0.353 360 H C -2.341 172.615 175.328 -0.619 0.000 1.072 360 H CA -2.397 53.409 56.048 -0.404 0.000 1.214 360 H CB 2.812 32.474 29.762 -0.166 0.000 1.600 360 H HN 0.535 nan 8.280 nan 0.000 0.527 361 P HA -0.052 nan 4.420 nan 0.000 0.223 361 P C 1.079 178.283 177.300 -0.160 0.000 1.151 361 P CA 0.713 63.680 63.100 -0.221 0.000 0.787 361 P CB 0.808 32.411 31.700 -0.162 0.000 0.788 362 L N -1.595 119.633 121.223 0.008 0.000 2.362 362 L HA 0.128 4.475 4.340 0.012 0.000 0.204 362 L C 2.324 178.969 176.870 -0.375 0.000 1.060 362 L CA 0.589 55.292 54.840 -0.227 0.000 0.827 362 L CB -0.727 41.063 42.059 -0.447 0.000 1.027 362 L HN -0.022 nan 8.230 nan 0.000 0.474 363 H N -0.005 119.029 119.070 -0.060 0.000 2.551 363 H HA 0.308 4.871 4.556 0.012 0.000 0.271 363 H C 1.389 176.598 175.328 -0.199 0.000 0.984 363 H CA 0.591 56.502 56.048 -0.227 0.000 1.164 363 H CB 0.363 29.875 29.762 -0.418 0.000 1.437 363 H HN 0.375 nan 8.280 nan 0.000 0.550 364 G N 1.566 110.266 108.800 -0.168 0.000 2.559 364 G HA2 -0.358 3.609 3.960 0.012 0.000 0.282 364 G HA3 -0.358 3.609 3.960 0.012 0.000 0.282 364 G C 0.734 175.541 174.900 -0.155 0.000 1.177 364 G CA 0.372 45.331 45.100 -0.234 0.000 0.960 364 G HN 0.441 nan 8.290 nan 0.000 0.540 365 Q N -0.070 119.672 119.800 -0.098 0.000 2.219 365 Q HA 0.467 4.814 4.340 0.012 0.000 0.209 365 Q C 0.354 176.450 176.000 0.161 0.000 0.854 365 Q CA -0.105 55.688 55.803 -0.016 0.000 0.960 365 Q CB 1.364 29.974 28.738 -0.213 0.000 1.116 365 Q HN 0.372 nan 8.270 nan 0.000 0.500 366 V N 2.188 122.168 119.914 0.110 0.000 2.488 366 V HA 0.135 4.262 4.120 0.012 0.000 0.277 366 V C 0.204 176.338 176.094 0.067 0.000 1.046 366 V CA 0.268 62.638 62.300 0.116 0.000 0.986 366 V CB 0.795 32.623 31.823 0.008 0.000 0.989 366 V HN 0.315 nan 8.190 nan 0.000 0.475 367 M N 4.630 124.270 119.600 0.067 0.000 2.537 367 M HA 0.519 5.006 4.480 0.012 0.000 0.324 367 M C -0.513 175.729 176.300 -0.097 0.000 1.187 367 M CA -0.637 54.653 55.300 -0.016 0.000 0.993 367 M CB 1.703 34.243 32.600 -0.101 0.000 1.666 367 M HN 0.929 nan 8.290 nan 0.000 0.461 368 D N -1.712 118.641 120.400 -0.080 0.000 2.581 368 D HA 0.267 4.914 4.640 0.012 0.000 0.232 368 D C 0.336 176.610 176.300 -0.042 0.000 1.143 368 D CA -0.713 53.243 54.000 -0.072 0.000 0.881 368 D CB 1.506 42.285 40.800 -0.036 0.000 1.500 368 D HN 0.680 nan 8.370 nan 0.000 0.458 369 E N 0.251 120.440 120.200 -0.018 0.000 2.086 369 E HA -0.393 3.964 4.350 0.012 0.000 0.200 369 E C 1.665 178.306 176.600 0.068 0.000 1.012 369 E CA 1.692 58.113 56.400 0.035 0.000 0.812 369 E CB 0.118 29.856 29.700 0.063 0.000 0.743 369 E HN 0.630 nan 8.360 nan 0.000 0.453 370 Q N -0.550 119.292 119.800 0.069 0.000 2.061 370 Q HA -0.160 4.187 4.340 0.012 0.000 0.204 370 Q C 2.059 178.119 176.000 0.100 0.000 0.984 370 Q CA 2.407 58.261 55.803 0.086 0.000 0.846 370 Q CB -0.050 28.740 28.738 0.087 0.000 0.902 370 Q HN 0.278 nan 8.270 nan 0.000 0.421 371 T N 0.556 115.178 114.554 0.115 0.000 2.746 371 T HA -0.131 4.226 4.350 0.012 0.000 0.267 371 T C 1.747 176.525 174.700 0.129 0.000 1.039 371 T CA 1.494 63.675 62.100 0.135 0.000 1.142 371 T CB -0.132 68.849 68.868 0.189 0.000 0.866 371 T HN 0.307 nan 8.240 nan 0.000 0.444 372 M N 0.502 120.177 119.600 0.125 0.000 2.086 372 M HA -0.080 4.407 4.480 0.012 0.000 0.261 372 M C 2.480 178.891 176.300 0.186 0.000 1.067 372 M CA 1.274 56.711 55.300 0.228 0.000 1.116 372 M CB -0.615 32.160 32.600 0.292 0.000 1.348 372 M HN 0.085 nan 8.290 nan 0.000 0.407 373 V N 0.363 120.328 119.914 0.085 0.000 2.343 373 V HA -0.303 3.825 4.120 0.012 0.000 0.247 373 V C 2.356 178.434 176.094 -0.026 0.000 1.051 373 V CA 2.065 64.348 62.300 -0.029 0.000 1.036 373 V CB -0.852 30.990 31.823 0.032 0.000 0.654 373 V HN 0.566 nan 8.190 nan 0.000 0.451 374 Q N -0.389 119.447 119.800 0.062 0.000 2.096 374 Q HA -0.265 4.082 4.340 0.012 0.000 0.204 374 Q C 1.951 178.029 176.000 0.129 0.000 0.982 374 Q CA 2.097 57.955 55.803 0.091 0.000 0.850 374 Q CB -0.110 28.695 28.738 0.111 0.000 0.901 374 Q HN 0.621 nan 8.270 nan 0.000 0.422 375 D N 0.313 120.808 120.400 0.159 0.000 2.097 375 D HA -0.119 4.528 4.640 0.012 0.000 0.197 375 D C 1.924 178.208 176.300 -0.027 0.000 0.984 375 D CA 1.041 55.150 54.000 0.180 0.000 0.826 375 D CB -0.159 40.729 40.800 0.147 0.000 0.973 375 D HN 0.348 nan 8.370 nan 0.000 0.460 376 I N 0.718 121.247 120.570 -0.067 0.000 2.286 376 I HA -0.223 3.954 4.170 0.012 0.000 0.248 376 I C 2.374 178.361 176.117 -0.217 0.000 1.115 376 I CA 0.533 61.683 61.300 -0.250 0.000 1.392 376 I CB -0.102 37.614 38.000 -0.473 0.000 1.065 376 I HN 0.000 nan 8.210 nan 0.000 0.418 377 L N 0.160 121.296 121.223 -0.144 0.000 2.012 377 L HA -0.249 4.098 4.340 0.012 0.000 0.210 377 L C 2.564 179.508 176.870 0.123 0.000 1.073 377 L CA 1.526 56.375 54.840 0.014 0.000 0.748 377 L CB -0.658 41.439 42.059 0.063 0.000 0.891 377 L HN 0.275 nan 8.230 nan 0.000 0.431 378 L N -1.025 120.295 121.223 0.163 0.000 2.083 378 L HA -0.242 4.105 4.340 0.012 0.000 0.209 378 L C 2.676 179.723 176.870 0.295 0.000 1.083 378 L CA 1.299 56.320 54.840 0.301 0.000 0.752 378 L CB -0.327 42.022 42.059 0.484 0.000 0.899 378 L HN 0.303 nan 8.230 nan 0.000 0.433 379 M N -0.639 118.960 119.600 -0.002 0.000 2.086 379 M HA -0.221 4.266 4.480 0.012 0.000 0.261 379 M C 2.284 178.667 176.300 0.138 0.000 1.067 379 M CA 1.837 57.067 55.300 -0.117 0.000 1.116 379 M CB -0.300 31.985 32.600 -0.526 0.000 1.348 379 M HN 0.061 nan 8.290 nan 0.000 0.407 380 K N -0.011 120.368 120.400 -0.034 0.000 2.057 380 K HA -0.169 4.158 4.320 0.012 0.000 0.206 380 K C 1.967 178.550 176.600 -0.028 0.000 1.050 380 K CA 1.281 57.441 56.287 -0.211 0.000 0.935 380 K CB -0.217 31.937 32.500 -0.577 0.000 0.715 380 K HN 0.434 nan 8.250 nan 0.000 0.439 381 Q N 0.400 120.350 119.800 0.250 0.000 2.364 381 Q HA -0.043 4.304 4.340 0.012 0.000 0.209 381 Q C 0.805 177.099 176.000 0.491 0.000 0.977 381 Q CA 0.741 56.803 55.803 0.431 0.000 0.885 381 Q CB 0.126 29.096 28.738 0.387 0.000 0.941 381 Q HN 0.281 nan 8.270 nan 0.000 0.464 382 N N 0.591 119.537 118.700 0.410 0.000 2.279 382 N HA 0.047 4.794 4.740 0.012 0.000 0.226 382 N C -0.605 175.011 175.510 0.177 0.000 1.126 382 N CA 0.021 53.308 53.050 0.394 0.000 0.846 382 N CB 0.665 39.470 38.487 0.531 0.000 1.050 382 N HN 0.157 nan 8.380 nan 0.000 0.502 383 N N 0.243 119.050 118.700 0.178 0.000 2.776 383 N HA -0.182 4.565 4.740 0.012 0.000 0.250 383 N C -0.885 174.517 175.510 -0.180 0.000 1.112 383 N CA 0.784 53.880 53.050 0.078 0.000 0.733 383 N CB -1.765 36.684 38.487 -0.064 0.000 1.097 383 N HN 0.241 nan 8.380 nan 0.000 0.558 384 F N 1.121 121.089 119.950 0.031 0.000 2.384 384 F HA 0.288 4.822 4.527 0.011 0.000 0.338 384 F C 1.815 177.609 175.800 -0.010 0.000 1.103 384 F CA -0.544 57.458 58.000 0.003 0.000 1.157 384 F CB 0.758 39.736 39.000 -0.036 0.000 1.167 384 F HN 0.059 nan 8.300 nan 0.000 0.529 385 N N 0.683 119.494 118.700 0.185 0.000 2.159 385 N HA 0.439 5.186 4.740 0.012 0.000 0.217 385 N C -0.837 174.734 175.510 0.101 0.000 1.223 385 N CA 0.026 53.123 53.050 0.079 0.000 0.896 385 N CB 0.733 39.315 38.487 0.158 0.000 1.064 385 N HN 0.482 nan 8.380 nan 0.000 0.518 386 A N -0.562 122.390 122.820 0.220 0.000 2.604 386 A HA 0.741 5.068 4.320 0.012 0.000 0.295 386 A C -1.825 175.996 177.584 0.395 0.000 1.067 386 A CA -0.677 51.557 52.037 0.329 0.000 0.683 386 A CB 1.771 20.981 19.000 0.351 0.000 1.281 386 A HN 0.246 nan 8.150 nan 0.000 0.407 387 V N 1.157 121.349 119.914 0.465 0.000 2.808 387 V HA 0.793 4.920 4.120 0.012 0.000 0.308 387 V C -0.645 175.586 176.094 0.229 0.000 1.099 387 V CA -0.661 61.856 62.300 0.362 0.000 0.920 387 V CB 1.869 33.837 31.823 0.243 0.000 1.014 387 V HN 1.151 nan 8.190 nan 0.000 0.425 388 R N 4.925 125.394 120.500 -0.052 0.000 2.393 388 R HA 0.502 4.849 4.340 0.012 0.000 0.310 388 R C -0.730 175.429 176.300 -0.235 0.000 0.968 388 R CA -0.447 55.440 56.100 -0.355 0.000 0.867 388 R CB 1.195 31.051 30.300 -0.740 0.000 1.124 388 R HN 0.799 nan 8.270 nan 0.000 0.450 389 C N 4.486 123.677 119.300 -0.181 0.000 2.896 389 C HA 0.133 4.600 4.460 0.012 0.000 0.499 389 C C 0.416 175.126 174.990 -0.466 0.000 1.022 389 C CA -0.460 58.402 59.018 -0.261 0.000 1.127 389 C CB -2.059 25.649 27.740 -0.054 0.000 1.452 389 C HN 0.737 nan 8.230 nan 0.000 0.580 390 S N 1.420 116.711 115.700 -0.681 0.000 2.488 390 S HA 0.164 4.641 4.470 0.012 0.000 0.278 390 S C -0.077 173.618 174.600 -1.510 0.000 1.259 390 S CA 0.105 57.622 58.200 -1.138 0.000 1.061 390 S CB 0.185 62.636 63.200 -1.248 0.000 0.910 390 S HN 0.731 nan 8.310 nan 0.000 0.491 391 H N 3.666 122.148 119.070 -0.981 0.000 2.439 391 H HA 0.330 4.893 4.556 0.011 0.000 0.230 391 H C -1.118 174.118 175.328 -0.153 0.000 1.420 391 H CA -0.333 55.514 56.048 -0.334 0.000 1.305 391 H CB -0.199 29.565 29.762 0.003 0.000 1.667 391 H HN 0.888 nan 8.280 nan 0.000 0.515 392 Y N -2.856 117.551 120.300 0.179 0.000 2.732 392 Y HA 0.401 4.958 4.550 0.012 0.000 0.342 392 Y C -3.337 172.674 175.900 0.185 0.000 1.203 392 Y CA -3.186 55.027 58.100 0.189 0.000 1.092 392 Y CB 0.020 38.598 38.460 0.196 0.000 1.345 392 Y HN -0.095 nan 8.280 nan 0.000 0.458 393 P HA 0.157 nan 4.420 nan 0.000 0.268 393 P C -0.625 176.970 177.300 0.492 0.000 1.205 393 P CA 0.151 63.506 63.100 0.426 0.000 0.771 393 P CB 0.583 32.464 31.700 0.301 0.000 0.858 394 N N 0.494 119.491 118.700 0.495 0.000 2.447 394 N HA 0.093 4.840 4.740 0.012 0.000 0.271 394 N C 0.109 175.864 175.510 0.408 0.000 1.226 394 N CA -0.591 52.669 53.050 0.350 0.000 0.980 394 N CB 0.368 38.864 38.487 0.014 0.000 1.206 394 N HN 0.600 nan 8.380 nan 0.000 0.558 395 H N 2.076 121.254 119.070 0.180 0.000 2.972 395 H HA -0.006 4.557 4.556 0.011 0.000 0.343 395 H C -1.601 173.899 175.328 0.287 0.000 1.054 395 H CA -0.652 55.491 56.048 0.157 0.000 1.412 395 H CB 1.047 30.867 29.762 0.096 0.000 1.385 395 H HN 0.436 nan 8.280 nan 0.000 0.600 396 P HA -0.200 nan 4.420 nan 0.000 0.216 396 P C 1.796 179.403 177.300 0.511 0.000 1.150 396 P CA 0.716 64.049 63.100 0.388 0.000 0.837 396 P CB 0.216 31.994 31.700 0.130 0.000 0.786 397 L N -0.991 120.604 121.223 0.621 0.000 2.265 397 L HA -0.040 4.307 4.340 0.012 0.000 0.215 397 L C 2.385 179.440 176.870 0.309 0.000 1.117 397 L CA 1.260 56.343 54.840 0.405 0.000 0.782 397 L CB -1.418 40.836 42.059 0.324 0.000 0.914 397 L HN 0.023 nan 8.230 nan 0.000 0.441 398 W N -0.523 120.816 121.300 0.066 0.000 2.338 398 W HA -0.336 4.331 4.660 0.011 0.000 0.304 398 W C 2.017 178.388 176.519 -0.247 0.000 1.212 398 W CA 1.849 59.093 57.345 -0.169 0.000 1.264 398 W CB -0.332 28.930 29.460 -0.331 0.000 1.142 398 W HN 0.272 nan 8.180 nan 0.000 0.512 399 Y N 0.840 121.081 120.300 -0.098 0.000 2.181 399 Y HA -0.228 4.329 4.550 0.011 0.000 0.288 399 Y C 2.854 178.536 175.900 -0.362 0.000 1.146 399 Y CA 2.185 59.999 58.100 -0.477 0.000 1.164 399 Y CB -1.310 36.520 38.460 -1.050 0.000 0.982 399 Y HN -0.217 nan 8.280 nan 0.000 0.515 400 T N 0.774 115.350 114.554 0.037 0.000 2.684 400 T HA -0.185 4.172 4.350 0.012 0.000 0.267 400 T C 2.010 176.760 174.700 0.083 0.000 1.036 400 T CA 1.565 63.760 62.100 0.158 0.000 1.148 400 T CB -0.601 68.403 68.868 0.226 0.000 0.863 400 T HN 0.235 nan 8.240 nan 0.000 0.436 401 L N 0.299 121.529 121.223 0.012 0.000 2.046 401 L HA -0.100 4.247 4.340 0.012 0.000 0.208 401 L C 2.882 179.723 176.870 -0.049 0.000 1.077 401 L CA 0.967 55.830 54.840 0.039 0.000 0.747 401 L CB -0.689 41.333 42.059 -0.061 0.000 0.896 401 L HN 0.376 nan 8.230 nan 0.000 0.432 402 C N -0.352 118.745 119.300 -0.338 0.000 2.435 402 C HA -0.117 4.350 4.460 0.012 0.000 0.279 402 C C 2.387 177.418 174.990 0.068 0.000 1.321 402 C CA 0.265 59.121 59.018 -0.269 0.000 1.752 402 C CB -0.778 26.695 27.740 -0.444 0.000 1.959 402 C HN 0.532 nan 8.230 nan 0.000 0.500 403 D N 0.618 121.071 120.400 0.087 0.000 2.117 403 D HA -0.093 4.554 4.640 0.012 0.000 0.197 403 D C 2.391 178.911 176.300 0.367 0.000 0.987 403 D CA 1.170 55.302 54.000 0.221 0.000 0.829 403 D CB -0.320 40.567 40.800 0.146 0.000 0.961 403 D HN 0.523 nan 8.370 nan 0.000 0.460 404 R N -0.904 119.710 120.500 0.191 0.000 2.075 404 R HA -0.008 4.339 4.340 0.012 0.000 0.226 404 R C 2.144 178.438 176.300 -0.011 0.000 1.114 404 R CA 0.670 56.821 56.100 0.085 0.000 0.972 404 R CB -0.224 30.060 30.300 -0.026 0.000 0.869 404 R HN 0.272 nan 8.270 nan 0.000 0.437 405 Y N -0.123 120.193 120.300 0.027 0.000 2.420 405 Y HA 0.159 4.716 4.550 0.011 0.000 0.292 405 Y C 0.970 176.806 175.900 -0.107 0.000 1.119 405 Y CA 0.813 58.903 58.100 -0.017 0.000 1.229 405 Y CB 0.635 39.056 38.460 -0.065 0.000 1.026 405 Y HN 0.257 nan 8.280 nan 0.000 0.554 406 G N 1.196 110.039 108.800 0.071 0.000 2.830 406 G HA2 -0.155 3.812 3.960 0.012 0.000 0.298 406 G HA3 -0.155 3.812 3.960 0.012 0.000 0.298 406 G C -1.154 173.597 174.900 -0.248 0.000 1.031 406 G CA -0.529 44.486 45.100 -0.143 0.000 1.179 406 G HN 0.168 nan 8.290 nan 0.000 0.527 407 L N 1.025 122.178 121.223 -0.118 0.000 2.455 407 L HA 0.505 4.852 4.340 0.012 0.000 0.264 407 L C 0.031 176.916 176.870 0.024 0.000 0.968 407 L CA -1.293 53.439 54.840 -0.179 0.000 0.827 407 L CB 2.014 43.984 42.059 -0.148 0.000 1.317 407 L HN 0.457 nan 8.230 nan 0.000 0.407 408 Y N 1.684 122.124 120.300 0.233 0.000 2.359 408 Y HA 0.397 4.955 4.550 0.013 0.000 0.330 408 Y C 0.202 176.235 175.900 0.221 0.000 1.143 408 Y CA -0.731 57.540 58.100 0.286 0.000 1.318 408 Y CB 1.412 40.016 38.460 0.241 0.000 1.234 408 Y HN 0.161 nan 8.280 nan 0.000 0.522 409 V N 4.050 124.156 119.914 0.319 0.000 2.604 409 V HA 0.319 4.446 4.120 0.012 0.000 0.305 409 V C -0.598 175.580 176.094 0.140 0.000 1.043 409 V CA -1.013 61.413 62.300 0.209 0.000 0.888 409 V CB 1.929 33.834 31.823 0.137 0.000 0.995 409 V HN 0.447 nan 8.190 nan 0.000 0.429 410 V N 3.105 123.068 119.914 0.082 0.000 2.333 410 V HA 0.338 4.465 4.120 0.012 0.000 0.274 410 V C -0.325 175.803 176.094 0.057 0.000 1.028 410 V CA -0.354 61.946 62.300 0.000 0.000 0.851 410 V CB 1.450 33.166 31.823 -0.178 0.000 1.000 410 V HN 0.865 nan 8.190 nan 0.000 0.456 411 D N 4.195 124.668 120.400 0.121 0.000 2.249 411 D HA 0.312 4.959 4.640 0.012 0.000 0.246 411 D C -0.248 176.247 176.300 0.324 0.000 1.114 411 D CA -0.079 54.091 54.000 0.283 0.000 0.854 411 D CB 1.364 42.367 40.800 0.339 0.000 1.132 411 D HN 0.685 nan 8.370 nan 0.000 0.461 412 E N 1.790 122.149 120.200 0.265 0.000 2.210 412 E HA 0.610 4.967 4.350 0.012 0.000 0.266 412 E C -1.011 175.736 176.600 0.244 0.000 0.883 412 E CA -1.036 55.504 56.400 0.234 0.000 0.761 412 E CB 1.352 31.140 29.700 0.146 0.000 1.156 412 E HN 0.457 nan 8.360 nan 0.000 0.412 413 A N 3.896 126.852 122.820 0.227 0.000 2.483 413 A HA 0.053 4.380 4.320 0.012 0.000 0.238 413 A C 0.319 178.034 177.584 0.218 0.000 1.070 413 A CA -0.215 51.934 52.037 0.187 0.000 0.770 413 A CB 0.145 19.220 19.000 0.124 0.000 1.008 413 A HN 0.692 nan 8.150 nan 0.000 0.497 414 N N 1.413 120.249 118.700 0.225 0.000 3.050 414 N HA 0.263 5.010 4.740 0.012 0.000 0.289 414 N C -1.053 174.589 175.510 0.219 0.000 1.209 414 N CA 0.177 53.393 53.050 0.277 0.000 1.154 414 N CB -0.820 37.828 38.487 0.268 0.000 1.444 414 N HN 0.479 nan 8.380 nan 0.000 0.529 415 I N 0.958 121.651 120.570 0.205 0.000 2.497 415 I HA 0.268 4.445 4.170 0.012 0.000 0.284 415 I C -0.553 175.667 176.117 0.171 0.000 1.060 415 I CA -0.610 60.792 61.300 0.169 0.000 1.071 415 I CB 1.689 39.761 38.000 0.120 0.000 1.216 415 I HN 0.231 nan 8.210 nan 0.000 0.442 416 E N 4.333 124.629 120.200 0.159 0.000 2.281 416 E HA 0.380 4.737 4.350 0.012 0.000 0.266 416 E C -0.534 176.126 176.600 0.100 0.000 0.893 416 E CA -0.484 55.981 56.400 0.109 0.000 0.798 416 E CB 1.554 31.305 29.700 0.084 0.000 1.245 416 E HN 0.587 nan 8.360 nan 0.000 0.410 417 T N 0.660 115.264 114.554 0.083 0.000 3.374 417 T HA 0.159 4.516 4.350 0.012 0.000 0.267 417 T C 0.866 175.607 174.700 0.068 0.000 0.996 417 T CA -0.347 61.827 62.100 0.122 0.000 0.977 417 T CB -0.264 68.661 68.868 0.094 0.000 1.149 417 T HN 0.665 nan 8.240 nan 0.000 0.517 418 H N 1.234 120.212 119.070 -0.154 0.000 2.353 418 H HA -0.051 4.512 4.556 0.012 0.000 0.298 418 H C 2.299 177.505 175.328 -0.203 0.000 1.103 418 H CA 1.376 57.310 56.048 -0.190 0.000 1.293 418 H CB -0.203 29.411 29.762 -0.247 0.000 1.372 418 H HN 0.581 nan 8.280 nan 0.000 0.501 419 G N 0.256 108.926 108.800 -0.217 0.000 2.776 419 G HA2 -0.040 3.927 3.960 0.012 0.000 0.209 419 G HA3 -0.040 3.927 3.960 0.012 0.000 0.209 419 G C 0.473 175.489 174.900 0.193 0.000 1.145 419 G CA -0.144 44.867 45.100 -0.149 0.000 0.791 419 G HN 0.155 nan 8.290 nan 0.000 0.530 420 M N 0.261 120.012 119.600 0.252 0.000 2.198 420 M HA 0.336 4.823 4.480 0.012 0.000 0.315 420 M C -0.328 176.007 176.300 0.058 0.000 1.134 420 M CA -0.273 55.122 55.300 0.159 0.000 1.171 420 M CB 1.363 34.011 32.600 0.079 0.000 1.413 420 M HN -0.201 nan 8.290 nan 0.000 0.467 421 V N 3.376 123.302 119.914 0.020 0.000 2.482 421 V HA 0.367 4.494 4.120 0.012 0.000 0.295 421 V C -1.954 174.131 176.094 -0.015 0.000 1.026 421 V CA -1.305 60.993 62.300 -0.004 0.000 0.856 421 V CB 1.857 33.673 31.823 -0.012 0.000 1.001 421 V HN 0.743 nan 8.190 nan 0.000 0.424 422 P HA 0.210 nan 4.420 nan 0.000 0.275 422 P C 0.964 178.263 177.300 -0.002 0.000 1.270 422 P CA -0.419 62.674 63.100 -0.011 0.000 0.791 422 P CB 1.049 32.744 31.700 -0.008 0.000 1.089 423 M N 0.502 120.104 119.600 0.003 0.000 2.213 423 M HA -0.157 4.330 4.480 0.012 0.000 0.263 423 M C 1.208 177.522 176.300 0.024 0.000 1.062 423 M CA 1.742 57.051 55.300 0.014 0.000 1.105 423 M CB -0.467 32.126 32.600 -0.012 0.000 1.385 423 M HN 0.374 nan 8.290 nan 0.000 0.417 424 N N -0.096 118.621 118.700 0.028 0.000 2.313 424 N HA -0.068 4.679 4.740 0.012 0.000 0.207 424 N C 1.090 176.581 175.510 -0.033 0.000 1.141 424 N CA 0.134 53.202 53.050 0.030 0.000 0.830 424 N CB -0.721 37.804 38.487 0.063 0.000 1.008 424 N HN 0.355 nan 8.380 nan 0.000 0.481 425 R N 0.403 120.870 120.500 -0.054 0.000 2.103 425 R HA -0.011 4.336 4.340 0.012 0.000 0.242 425 R C 1.423 177.627 176.300 -0.159 0.000 1.142 425 R CA 1.345 57.391 56.100 -0.090 0.000 0.960 425 R CB -0.036 30.208 30.300 -0.094 0.000 0.858 425 R HN 0.292 nan 8.270 nan 0.000 0.439 426 L N -0.635 120.432 121.223 -0.260 0.000 2.168 426 L HA -0.009 4.338 4.340 0.012 0.000 0.203 426 L C 2.480 179.218 176.870 -0.220 0.000 1.078 426 L CA 1.334 55.904 54.840 -0.450 0.000 0.780 426 L CB -0.590 40.954 42.059 -0.859 0.000 0.939 426 L HN 0.349 nan 8.230 nan 0.000 0.451 427 T N -4.266 110.184 114.554 -0.174 0.000 3.051 427 T HA -0.161 4.196 4.350 0.012 0.000 0.269 427 T C 1.241 175.835 174.700 -0.176 0.000 1.127 427 T CA 1.189 63.161 62.100 -0.213 0.000 1.107 427 T CB -0.231 68.459 68.868 -0.296 0.000 0.898 427 T HN 0.119 nan 8.240 nan 0.000 0.517 428 D N 0.988 121.328 120.400 -0.100 0.000 2.349 428 D HA 0.100 4.747 4.640 0.012 0.000 0.214 428 D C -0.238 176.039 176.300 -0.038 0.000 1.063 428 D CA -0.199 53.756 54.000 -0.075 0.000 0.847 428 D CB -0.051 40.719 40.800 -0.050 0.000 0.933 428 D HN 0.317 nan 8.370 nan 0.000 0.513 429 D N 0.024 120.419 120.400 -0.008 0.000 2.329 429 D HA 0.117 4.764 4.640 0.012 0.000 0.232 429 D C -1.612 174.735 176.300 0.078 0.000 1.088 429 D CA -2.200 51.834 54.000 0.057 0.000 0.835 429 D CB 1.997 42.880 40.800 0.137 0.000 1.078 429 D HN -0.016 nan 8.370 nan 0.000 0.495 430 P HA -0.134 nan 4.420 nan 0.000 0.221 430 P C 0.943 178.241 177.300 -0.003 0.000 1.145 430 P CA 0.710 63.814 63.100 0.006 0.000 0.795 430 P CB 0.360 32.055 31.700 -0.009 0.000 0.775 431 R N -1.753 118.754 120.500 0.010 0.000 2.235 431 R HA -0.060 4.287 4.340 0.012 0.000 0.213 431 R C 1.374 177.545 176.300 -0.215 0.000 1.059 431 R CA 1.024 57.062 56.100 -0.103 0.000 0.997 431 R CB -0.445 29.780 30.300 -0.124 0.000 0.884 431 R HN 0.333 nan 8.270 nan 0.000 0.462 432 W N -0.225 121.018 121.300 -0.094 0.000 3.239 432 W HA 0.150 4.817 4.660 0.011 0.000 0.348 432 W C 1.379 177.837 176.519 -0.102 0.000 1.183 432 W CA -0.567 56.722 57.345 -0.093 0.000 1.819 432 W CB 0.065 29.468 29.460 -0.094 0.000 1.091 432 W HN -0.005 nan 8.180 nan 0.000 0.629 433 L N 2.200 123.442 121.223 0.032 0.000 2.046 433 L HA -0.022 4.325 4.340 0.012 0.000 0.208 433 L C -0.683 176.150 176.870 -0.061 0.000 1.077 433 L CA 2.190 57.014 54.840 -0.026 0.000 0.747 433 L CB -1.578 40.454 42.059 -0.044 0.000 0.896 433 L HN -0.235 nan 8.230 nan 0.000 0.432 434 P HA -0.127 nan 4.420 nan 0.000 0.215 434 P C 1.597 178.844 177.300 -0.088 0.000 1.157 434 P CA 2.086 65.124 63.100 -0.103 0.000 0.863 434 P CB -0.204 31.424 31.700 -0.120 0.000 0.787 435 A N -1.074 121.709 122.820 -0.063 0.000 1.933 435 A HA -0.175 4.152 4.320 0.012 0.000 0.218 435 A C 2.222 179.821 177.584 0.025 0.000 1.175 435 A CA 1.787 53.822 52.037 -0.003 0.000 0.628 435 A CB -1.424 17.616 19.000 0.066 0.000 0.814 435 A HN 0.103 nan 8.150 nan 0.000 0.444 436 M N 0.291 119.911 119.600 0.034 0.000 2.132 436 M HA -0.148 4.339 4.480 0.012 0.000 0.263 436 M C 2.558 178.802 176.300 -0.093 0.000 1.065 436 M CA 1.736 57.030 55.300 -0.010 0.000 1.122 436 M CB -0.397 32.175 32.600 -0.046 0.000 1.365 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.277 115.895 115.700 -0.137 0.000 2.370 437 S HA -0.176 4.301 4.470 0.012 0.000 0.226 437 S C 1.693 176.125 174.600 -0.280 0.000 1.033 437 S CA 1.277 59.327 58.200 -0.251 0.000 1.011 437 S CB -0.594 62.431 63.200 -0.293 0.000 0.852 437 S HN 0.441 nan 8.310 nan 0.000 0.457 438 E N 1.469 121.556 120.200 -0.188 0.000 2.153 438 E HA -0.068 4.289 4.350 0.012 0.000 0.194 438 E C 2.323 178.839 176.600 -0.140 0.000 0.988 438 E CA 0.812 57.110 56.400 -0.171 0.000 0.811 438 E CB -0.247 29.390 29.700 -0.105 0.000 0.746 438 E HN 0.647 nan 8.360 nan 0.000 0.466 439 R N 0.186 120.633 120.500 -0.088 0.000 2.115 439 R HA -0.045 4.302 4.340 0.012 0.000 0.230 439 R C 2.447 178.708 176.300 -0.065 0.000 1.111 439 R CA 0.761 56.840 56.100 -0.035 0.000 0.976 439 R CB -0.097 30.223 30.300 0.032 0.000 0.870 439 R HN -0.013 nan 8.270 nan 0.000 0.445 440 V N 0.449 120.281 119.914 -0.137 0.000 2.302 440 V HA -0.198 3.929 4.120 0.012 0.000 0.243 440 V C 2.564 178.483 176.094 -0.293 0.000 1.036 440 V CA 2.219 64.418 62.300 -0.169 0.000 1.020 440 V CB -0.437 31.275 31.823 -0.185 0.000 0.657 440 V HN 0.531 nan 8.190 nan 0.000 0.453 441 T N -0.819 113.422 114.554 -0.523 0.000 2.821 441 T HA -0.228 4.129 4.350 0.012 0.000 0.267 441 T C 1.935 176.476 174.700 -0.264 0.000 1.046 441 T CA 1.346 63.044 62.100 -0.669 0.000 1.139 441 T CB -0.412 67.844 68.868 -1.019 0.000 0.871 441 T HN 0.404 nan 8.240 nan 0.000 0.454 442 R N 0.218 120.590 120.500 -0.213 0.000 2.148 442 R HA 0.192 4.539 4.340 0.012 0.000 0.227 442 R C 2.611 178.839 176.300 -0.120 0.000 1.103 442 R CA 1.357 57.371 56.100 -0.144 0.000 0.983 442 R CB -0.456 29.767 30.300 -0.130 0.000 0.874 442 R HN 0.496 nan 8.270 nan 0.000 0.451 443 M N 0.466 120.004 119.600 -0.102 0.000 2.123 443 M HA -0.125 4.362 4.480 0.012 0.000 0.263 443 M C 1.824 178.064 176.300 -0.100 0.000 1.069 443 M CA 1.615 56.887 55.300 -0.047 0.000 1.133 443 M CB 0.137 32.751 32.600 0.024 0.000 1.356 443 M HN -0.026 nan 8.290 nan 0.000 0.415 444 V N 1.051 120.806 119.914 -0.265 0.000 2.407 444 V HA -0.271 3.856 4.120 0.012 0.000 0.248 444 V C 2.248 178.238 176.094 -0.174 0.000 1.055 444 V CA 1.903 63.913 62.300 -0.483 0.000 1.049 444 V CB -0.929 30.554 31.823 -0.566 0.000 0.662 444 V HN 0.589 nan 8.190 nan 0.000 0.455 445 Q N -0.575 119.165 119.800 -0.100 0.000 2.226 445 Q HA -0.205 4.142 4.340 0.012 0.000 0.204 445 Q C 2.432 178.339 176.000 -0.154 0.000 0.975 445 Q CA 1.352 57.097 55.803 -0.096 0.000 0.866 445 Q CB -0.158 28.552 28.738 -0.046 0.000 0.915 445 Q HN 0.547 nan 8.270 nan 0.000 0.440 446 R N 0.297 120.704 120.500 -0.154 0.000 2.100 446 R HA -0.075 4.272 4.340 0.012 0.000 0.220 446 R C 0.417 176.632 176.300 -0.140 0.000 1.091 446 R CA 1.155 57.137 56.100 -0.196 0.000 0.986 446 R CB 0.490 30.679 30.300 -0.186 0.000 0.888 446 R HN 0.110 nan 8.270 nan 0.000 0.444 447 D N -0.320 120.065 120.400 -0.025 0.000 2.433 447 D HA 0.011 4.658 4.640 0.012 0.000 0.211 447 D C 1.235 177.633 176.300 0.163 0.000 1.114 447 D CA 0.045 54.075 54.000 0.049 0.000 0.837 447 D CB 0.365 41.156 40.800 -0.016 0.000 0.984 447 D HN 0.339 nan 8.370 nan 0.000 0.505 448 R N 0.537 121.138 120.500 0.169 0.000 2.241 448 R HA 0.007 4.354 4.340 0.012 0.000 0.224 448 R C 0.687 176.963 176.300 -0.040 0.000 1.101 448 R CA 0.942 57.145 56.100 0.172 0.000 0.995 448 R CB -0.223 30.105 30.300 0.045 0.000 0.870 448 R HN -0.103 nan 8.270 nan 0.000 0.463 449 N N 0.263 118.864 118.700 -0.164 0.000 2.280 449 N HA 0.009 4.756 4.740 0.012 0.000 0.192 449 N C -0.599 174.778 175.510 -0.221 0.000 1.109 449 N CA 0.198 53.133 53.050 -0.193 0.000 0.855 449 N CB 0.140 38.492 38.487 -0.226 0.000 0.974 449 N HN 0.278 nan 8.380 nan 0.000 0.482 450 H N 1.325 120.320 119.070 -0.124 0.000 2.668 450 H HA 0.122 4.685 4.556 0.011 0.000 0.303 450 H C -1.200 173.970 175.328 -0.262 0.000 1.074 450 H CA -1.376 54.586 56.048 -0.144 0.000 1.406 450 H CB 1.561 31.270 29.762 -0.088 0.000 1.442 450 H HN 0.037 nan 8.280 nan 0.000 0.482 451 P HA -0.160 nan 4.420 nan 0.000 0.220 451 P C 1.409 178.206 177.300 -0.838 0.000 1.148 451 P CA 1.122 63.843 63.100 -0.631 0.000 0.803 451 P CB 0.300 31.362 31.700 -1.064 0.000 0.782 452 S N -0.783 114.553 115.700 -0.606 0.000 2.402 452 S HA -0.043 4.434 4.470 0.012 0.000 0.229 452 S C 1.121 175.686 174.600 -0.058 0.000 1.021 452 S CA 0.363 58.390 58.200 -0.288 0.000 0.974 452 S CB -1.496 61.689 63.200 -0.025 0.000 0.800 452 S HN -0.059 nan 8.310 nan 0.000 0.484 453 V N 3.699 123.554 119.914 -0.099 0.000 2.446 453 V HA 0.208 4.335 4.120 0.012 0.000 0.276 453 V C 1.118 177.077 176.094 -0.225 0.000 1.030 453 V CA 0.115 62.324 62.300 -0.151 0.000 1.033 453 V CB 0.310 31.952 31.823 -0.302 0.000 0.993 453 V HN 0.639 nan 8.190 nan 0.000 0.477 454 I N 2.562 123.055 120.570 -0.129 0.000 4.187 454 I HA 0.515 4.692 4.170 0.012 0.000 0.326 454 I C 0.378 176.387 176.117 -0.179 0.000 1.302 454 I CA 0.491 61.726 61.300 -0.109 0.000 1.196 454 I CB 0.507 38.528 38.000 0.036 0.000 1.095 454 I HN 0.325 nan 8.210 nan 0.000 0.411 455 I N 0.264 120.704 120.570 -0.216 0.000 2.656 455 I HA 0.350 4.527 4.170 0.012 0.000 0.292 455 I C -1.578 174.441 176.117 -0.163 0.000 1.144 455 I CA -0.384 60.832 61.300 -0.140 0.000 1.038 455 I CB 2.125 40.137 38.000 0.020 0.000 1.244 455 I HN 0.027 nan 8.210 nan 0.000 0.420 456 W N 4.098 125.451 121.300 0.089 0.000 2.438 456 W HA 0.629 5.295 4.660 0.010 0.000 0.324 456 W C 0.424 177.014 176.519 0.119 0.000 1.119 456 W CA -0.589 56.815 57.345 0.098 0.000 1.221 456 W CB 1.669 31.183 29.460 0.091 0.000 1.253 456 W HN 0.317 nan 8.180 nan 0.000 0.555 457 S N 2.525 118.466 115.700 0.401 0.000 2.513 457 S HA 0.426 4.903 4.470 0.012 0.000 0.299 457 S C 0.163 174.942 174.600 0.298 0.000 1.087 457 S CA -0.722 57.665 58.200 0.311 0.000 1.012 457 S CB 0.908 64.244 63.200 0.226 0.000 1.044 457 S HN 0.578 nan 8.310 nan 0.000 0.485 458 L N 3.806 125.203 121.223 0.290 0.000 2.599 458 L HA 0.360 4.707 4.340 0.012 0.000 0.230 458 L C 1.380 178.328 176.870 0.130 0.000 1.141 458 L CA 0.500 55.427 54.840 0.145 0.000 0.877 458 L CB -1.095 40.935 42.059 -0.048 0.000 1.009 458 L HN 1.014 nan 8.230 nan 0.000 0.447 459 G N 0.115 109.078 108.800 0.272 0.000 2.306 459 G HA2 -0.142 3.825 3.960 0.012 0.000 0.262 459 G HA3 -0.142 3.825 3.960 0.012 0.000 0.262 459 G C -1.579 173.531 174.900 0.350 0.000 1.263 459 G CA -0.528 44.732 45.100 0.267 0.000 1.088 459 G HN 0.189 nan 8.290 nan 0.000 0.489 460 N N 0.033 118.877 118.700 0.240 0.000 2.405 460 N HA 0.478 5.225 4.740 0.012 0.000 0.274 460 N C -0.466 175.010 175.510 -0.056 0.000 1.170 460 N CA 0.132 53.181 53.050 -0.003 0.000 0.848 460 N CB 1.595 39.830 38.487 -0.419 0.000 1.629 460 N HN 0.916 nan 8.380 nan 0.000 0.481 461 E N 0.563 120.632 120.200 -0.218 0.000 2.160 461 E HA -0.179 4.178 4.350 0.012 0.000 0.180 461 E C -0.823 175.686 176.600 -0.152 0.000 1.452 461 E CA 0.808 56.992 56.400 -0.359 0.000 0.683 461 E CB -1.288 27.954 29.700 -0.762 0.000 1.072 461 E HN 0.431 nan 8.360 nan 0.000 0.332 462 S N 0.051 115.803 115.700 0.086 0.000 2.941 462 S HA 0.406 4.883 4.470 0.012 0.000 0.251 462 S C 0.650 175.405 174.600 0.259 0.000 1.029 462 S CA -0.202 58.108 58.200 0.183 0.000 1.062 462 S CB 1.373 64.744 63.200 0.285 0.000 0.977 462 S HN 0.848 nan 8.310 nan 0.000 0.552 463 G N 2.038 110.925 108.800 0.144 0.000 2.598 463 G HA2 -0.266 3.701 3.960 0.012 0.000 0.269 463 G HA3 -0.266 3.701 3.960 0.012 0.000 0.269 463 G C -0.521 174.573 174.900 0.324 0.000 1.289 463 G CA -0.091 45.101 45.100 0.154 0.000 0.926 463 G HN 0.636 nan 8.290 nan 0.000 0.567 464 H N 0.587 119.777 119.070 0.199 0.000 2.727 464 H HA 0.586 5.149 4.556 0.012 0.000 0.330 464 H C 0.295 175.794 175.328 0.285 0.000 0.986 464 H CA 0.056 56.270 56.048 0.276 0.000 1.251 464 H CB 0.805 30.662 29.762 0.159 0.000 1.493 464 H HN 1.072 nan 8.280 nan 0.000 0.515 465 G N 1.517 110.335 108.800 0.029 0.000 2.537 465 G HA2 0.456 4.423 3.960 0.012 0.000 0.308 465 G HA3 0.456 4.423 3.960 0.012 0.000 0.308 465 G C 0.540 175.246 174.900 -0.322 0.000 1.237 465 G CA -0.157 44.825 45.100 -0.196 0.000 0.968 465 G HN 0.674 nan 8.290 nan 0.000 0.481 466 A N 0.356 123.056 122.820 -0.200 0.000 2.070 466 A HA -0.073 4.254 4.320 0.012 0.000 0.220 466 A C 2.093 179.624 177.584 -0.089 0.000 1.159 466 A CA 1.722 53.688 52.037 -0.118 0.000 0.656 466 A CB -0.383 18.584 19.000 -0.054 0.000 0.800 466 A HN 0.527 nan 8.150 nan 0.000 0.453 467 N N -0.177 118.432 118.700 -0.152 0.000 2.223 467 N HA -0.135 4.612 4.740 0.012 0.000 0.185 467 N C 1.345 176.763 175.510 -0.154 0.000 1.016 467 N CA 1.672 54.626 53.050 -0.161 0.000 0.863 467 N CB -0.619 37.732 38.487 -0.226 0.000 0.983 467 N HN 0.785 nan 8.380 nan 0.000 0.429 468 H N -0.022 118.988 119.070 -0.100 0.000 2.389 468 H HA 0.010 4.573 4.556 0.011 0.000 0.299 468 H C 1.154 176.525 175.328 0.071 0.000 1.081 468 H CA 1.055 57.059 56.048 -0.072 0.000 1.345 468 H CB 0.202 29.902 29.762 -0.105 0.000 1.393 468 H HN 0.155 nan 8.280 nan 0.000 0.520 469 D N 0.364 120.881 120.400 0.196 0.000 2.144 469 D HA -0.096 4.551 4.640 0.012 0.000 0.200 469 D C 2.291 178.731 176.300 0.234 0.000 0.978 469 D CA 1.100 55.238 54.000 0.229 0.000 0.833 469 D CB -0.355 40.547 40.800 0.171 0.000 0.961 469 D HN 0.410 nan 8.370 nan 0.000 0.470 470 A N 0.685 123.591 122.820 0.143 0.000 1.902 470 A HA -0.122 4.205 4.320 0.012 0.000 0.217 470 A C 2.371 180.062 177.584 0.178 0.000 1.181 470 A CA 0.969 53.086 52.037 0.134 0.000 0.623 470 A CB -0.735 18.301 19.000 0.060 0.000 0.818 470 A HN 0.210 nan 8.150 nan 0.000 0.443 471 L N -2.164 119.149 121.223 0.149 0.000 2.156 471 L HA -0.122 4.225 4.340 0.012 0.000 0.208 471 L C 2.542 179.558 176.870 0.243 0.000 1.095 471 L CA 1.357 56.292 54.840 0.158 0.000 0.770 471 L CB -0.639 41.440 42.059 0.033 0.000 0.914 471 L HN 0.610 nan 8.230 nan 0.000 0.439 472 Y N 1.356 121.744 120.300 0.145 0.000 2.128 472 Y HA -0.351 4.205 4.550 0.009 0.000 0.284 472 Y C 2.803 178.789 175.900 0.144 0.000 1.154 472 Y CA 1.910 60.100 58.100 0.151 0.000 1.149 472 Y CB -0.168 38.385 38.460 0.155 0.000 0.976 472 Y HN -0.026 nan 8.280 nan 0.000 0.505 473 R N -0.247 120.366 120.500 0.189 0.000 2.092 473 R HA -0.190 4.157 4.340 0.012 0.000 0.231 473 R C 2.041 178.354 176.300 0.021 0.000 1.119 473 R CA 1.864 58.000 56.100 0.061 0.000 0.970 473 R CB -1.374 29.040 30.300 0.190 0.000 0.864 473 R HN 0.653 nan 8.270 nan 0.000 0.440 474 W N 0.367 121.629 121.300 -0.064 0.000 2.358 474 W HA -0.092 4.575 4.660 0.012 0.000 0.303 474 W C 1.522 177.957 176.519 -0.141 0.000 1.208 474 W CA 1.714 59.008 57.345 -0.084 0.000 1.274 474 W CB -0.164 29.251 29.460 -0.076 0.000 1.138 474 W HN 0.068 nan 8.180 nan 0.000 0.515 475 I N 0.872 121.442 120.570 -0.001 0.000 2.252 475 I HA -0.324 3.853 4.170 0.012 0.000 0.245 475 I C 2.411 178.313 176.117 -0.358 0.000 1.102 475 I CA 1.275 62.402 61.300 -0.288 0.000 1.385 475 I CB -0.705 37.205 38.000 -0.152 0.000 1.064 475 I HN -0.130 nan 8.210 nan 0.000 0.414 476 K N 0.679 120.889 120.400 -0.316 0.000 2.152 476 K HA -0.110 4.217 4.320 0.012 0.000 0.206 476 K C 2.235 178.697 176.600 -0.231 0.000 1.048 476 K CA 1.312 57.437 56.287 -0.271 0.000 0.933 476 K CB -0.404 31.895 32.500 -0.335 0.000 0.721 476 K HN 0.268 nan 8.250 nan 0.000 0.447 477 S N 0.928 116.456 115.700 -0.287 0.000 2.362 477 S HA -0.087 4.390 4.470 0.012 0.000 0.221 477 S C 2.178 176.574 174.600 -0.341 0.000 1.032 477 S CA 1.256 59.294 58.200 -0.269 0.000 0.973 477 S CB -0.227 62.819 63.200 -0.256 0.000 0.849 477 S HN 0.299 nan 8.310 nan 0.000 0.465 478 V N -0.075 119.487 119.914 -0.586 0.000 2.719 478 V HA 0.141 4.268 4.120 0.012 0.000 0.252 478 V C 0.258 176.149 176.094 -0.338 0.000 1.065 478 V CA 1.349 63.314 62.300 -0.559 0.000 1.086 478 V CB -0.326 30.925 31.823 -0.954 0.000 0.700 478 V HN 0.309 nan 8.190 nan 0.000 0.467 479 D N 0.458 120.692 120.400 -0.278 0.000 2.330 479 D HA 0.390 5.037 4.640 0.012 0.000 0.249 479 D C -2.311 173.973 176.300 -0.026 0.000 1.306 479 D CA -1.801 52.140 54.000 -0.099 0.000 0.956 479 D CB 1.775 42.589 40.800 0.023 0.000 1.261 479 D HN 0.155 nan 8.370 nan 0.000 0.544 480 P HA 0.001 nan 4.420 nan 0.000 0.245 480 P C 1.026 178.345 177.300 0.031 0.000 1.212 480 P CA 0.375 63.468 63.100 -0.010 0.000 0.774 480 P CB 0.131 31.819 31.700 -0.019 0.000 0.999 481 S N -1.442 114.286 115.700 0.048 0.000 2.562 481 S HA 0.103 4.580 4.470 0.012 0.000 0.221 481 S C 0.856 175.485 174.600 0.049 0.000 0.975 481 S CA -0.133 58.099 58.200 0.053 0.000 0.918 481 S CB -0.290 62.934 63.200 0.040 0.000 0.772 481 S HN 0.051 nan 8.310 nan 0.000 0.531 482 R N 0.913 121.455 120.500 0.069 0.000 2.673 482 R HA 0.545 4.892 4.340 0.012 0.000 0.281 482 R C -3.239 173.112 176.300 0.086 0.000 0.991 482 R CA -2.134 53.977 56.100 0.017 0.000 0.896 482 R CB 1.565 31.772 30.300 -0.155 0.000 1.201 482 R HN 0.128 nan 8.270 nan 0.000 0.457 483 P HA 0.113 nan 4.420 nan 0.000 0.272 483 P C -0.888 176.521 177.300 0.182 0.000 1.230 483 P CA -0.414 62.754 63.100 0.114 0.000 0.788 483 P CB 0.707 32.460 31.700 0.088 0.000 0.949 484 V N 2.226 122.278 119.914 0.229 0.000 2.459 484 V HA 0.412 4.539 4.120 0.012 0.000 0.295 484 V C 0.193 176.481 176.094 0.324 0.000 1.029 484 V CA -0.292 62.193 62.300 0.309 0.000 0.874 484 V CB 1.185 33.162 31.823 0.257 0.000 0.985 484 V HN 0.606 nan 8.190 nan 0.000 0.438 485 Q N 3.652 123.624 119.800 0.288 0.000 2.458 485 Q HA 0.821 5.168 4.340 0.012 0.000 0.282 485 Q C -1.827 174.346 176.000 0.289 0.000 1.106 485 Q CA -0.946 54.993 55.803 0.226 0.000 0.814 485 Q CB 2.992 31.808 28.738 0.130 0.000 1.425 485 Q HN 0.623 nan 8.270 nan 0.000 0.437 486 Y N -0.035 120.292 120.300 0.044 0.000 2.393 486 Y HA 0.128 4.684 4.550 0.010 0.000 0.320 486 Y C -0.651 175.210 175.900 -0.066 0.000 1.241 486 Y CA -0.771 57.324 58.100 -0.008 0.000 1.122 486 Y CB 1.936 40.384 38.460 -0.020 0.000 1.322 486 Y HN 0.950 nan 8.280 nan 0.000 0.441 487 E N 3.276 122.978 120.200 -0.830 0.000 2.318 487 E HA 0.145 4.502 4.350 0.012 0.000 0.193 487 E C 0.645 176.813 176.600 -0.720 0.000 0.998 487 E CA 0.738 56.775 56.400 -0.606 0.000 0.859 487 E CB 0.274 29.744 29.700 -0.385 0.000 0.812 487 E HN 0.879 nan 8.360 nan 0.000 0.492 488 G N -0.194 107.765 108.800 -1.402 0.000 2.559 488 G HA2 0.253 4.220 3.960 0.012 0.000 0.235 488 G HA3 0.253 4.220 3.960 0.012 0.000 0.235 488 G C 0.792 175.565 174.900 -0.211 0.000 1.266 488 G CA 0.267 44.983 45.100 -0.641 0.000 0.847 488 G HN 0.334 nan 8.290 nan 0.000 0.583 489 G N -0.745 108.021 108.800 -0.057 0.000 2.160 489 G HA2 0.231 4.198 3.960 0.012 0.000 0.251 489 G HA3 0.231 4.198 3.960 0.012 0.000 0.251 489 G C 1.267 176.173 174.900 0.009 0.000 1.008 489 G CA 0.997 46.120 45.100 0.039 0.000 0.724 489 G HN 2.621 nan 8.290 nan 0.000 0.514 490 G N -1.493 107.308 108.800 0.002 0.000 2.192 490 G HA2 0.431 4.398 3.960 0.012 0.000 0.193 490 G HA3 0.431 4.398 3.960 0.012 0.000 0.193 490 G C 1.042 176.073 174.900 0.218 0.000 0.999 490 G CA 1.277 46.442 45.100 0.109 0.000 0.659 490 G HN 2.361 nan 8.290 nan 0.000 0.503 491 A N -0.340 122.494 122.820 0.024 0.000 3.396 491 A HA -0.097 4.230 4.320 0.012 0.000 0.267 491 A C 1.042 178.577 177.584 -0.081 0.000 1.139 491 A CA 2.587 54.579 52.037 -0.075 0.000 1.115 491 A CB -1.767 17.162 19.000 -0.119 0.000 1.133 491 A HN 2.113 nan 8.150 nan 0.000 0.920 492 D N -1.004 119.426 120.400 0.051 0.000 2.785 492 D HA 0.320 4.967 4.640 0.012 0.000 0.324 492 D C 0.387 176.689 176.300 0.002 0.000 1.523 492 D CA 0.784 54.815 54.000 0.051 0.000 0.789 492 D CB -1.141 39.832 40.800 0.289 0.000 1.171 492 D HN 0.817 nan 8.370 nan 0.000 0.447 493 T N -2.424 112.067 114.554 -0.105 0.000 2.729 493 T HA 0.223 4.580 4.350 0.012 0.000 0.298 493 T C 1.583 176.152 174.700 -0.219 0.000 1.013 493 T CA 0.423 62.381 62.100 -0.236 0.000 0.957 493 T CB 0.798 69.323 68.868 -0.572 0.000 1.130 493 T HN 0.078 nan 8.240 nan 0.000 0.526 494 T N -2.607 111.795 114.554 -0.252 0.000 3.163 494 T HA 0.238 4.595 4.350 0.012 0.000 0.260 494 T C 1.496 175.964 174.700 -0.388 0.000 1.156 494 T CA 0.235 62.205 62.100 -0.217 0.000 1.072 494 T CB -0.520 68.295 68.868 -0.089 0.000 0.937 494 T HN 0.822 nan 8.240 nan 0.000 0.528 495 A N 0.407 123.050 122.820 -0.295 0.000 2.460 495 A HA 0.510 4.837 4.320 0.012 0.000 0.258 495 A C 0.819 178.306 177.584 -0.163 0.000 1.300 495 A CA -0.295 51.577 52.037 -0.275 0.000 0.913 495 A CB 0.060 19.172 19.000 0.186 0.000 1.031 495 A HN 0.431 nan 8.150 nan 0.000 0.512 496 T N -1.397 113.037 114.554 -0.201 0.000 2.952 496 T HA 0.364 4.721 4.350 0.012 0.000 0.305 496 T C -0.693 174.037 174.700 0.050 0.000 1.064 496 T CA -0.445 61.675 62.100 0.034 0.000 1.008 496 T CB 1.270 70.150 68.868 0.021 0.000 1.078 496 T HN 0.079 nan 8.240 nan 0.000 0.459 497 D N 2.819 123.332 120.400 0.188 0.000 2.349 497 D HA 0.274 4.921 4.640 0.012 0.000 0.215 497 D C 0.294 176.632 176.300 0.064 0.000 1.016 497 D CA 0.663 54.754 54.000 0.151 0.000 0.870 497 D CB 0.402 41.322 40.800 0.200 0.000 0.917 497 D HN 0.531 nan 8.370 nan 0.000 0.524 498 I N 0.999 121.588 120.570 0.033 0.000 2.533 498 I HA 0.252 4.429 4.170 0.012 0.000 0.290 498 I C -0.233 175.826 176.117 -0.096 0.000 1.056 498 I CA -0.884 60.400 61.300 -0.025 0.000 1.057 498 I CB 2.793 40.791 38.000 -0.003 0.000 1.240 498 I HN -0.356 nan 8.210 nan 0.000 0.423 499 I N 5.797 126.262 120.570 -0.175 0.000 2.505 499 I HA 0.041 4.218 4.170 0.012 0.000 0.287 499 I C 0.213 176.124 176.117 -0.344 0.000 1.104 499 I CA 0.052 61.153 61.300 -0.332 0.000 1.387 499 I CB 0.148 37.842 38.000 -0.511 0.000 1.404 499 I HN 0.679 nan 8.210 nan 0.000 0.528 500 C N 5.631 124.747 119.300 -0.308 0.000 3.401 500 C HA 0.462 4.929 4.460 0.012 0.000 0.204 500 C C -2.160 172.698 174.990 -0.219 0.000 1.522 500 C CA -2.279 56.613 59.018 -0.211 0.000 1.409 500 C CB -0.914 26.762 27.740 -0.106 0.000 1.967 500 C HN 0.418 nan 8.230 nan 0.000 0.496 501 P HA 0.286 nan 4.420 nan 0.000 0.272 501 P C -0.416 176.832 177.300 -0.085 0.000 1.240 501 P CA 0.377 63.374 63.100 -0.172 0.000 0.791 501 P CB 0.733 32.327 31.700 -0.176 0.000 0.978 502 M N 0.108 119.681 119.600 -0.046 0.000 2.181 502 M HA 0.442 4.929 4.480 0.012 0.000 0.323 502 M C -0.775 175.531 176.300 0.010 0.000 1.004 502 M CA -0.676 54.492 55.300 -0.219 0.000 0.941 502 M CB 1.077 33.482 32.600 -0.324 0.000 1.579 502 M HN 0.328 nan 8.290 nan 0.000 0.427 503 Y N -0.113 120.346 120.300 0.265 0.000 4.177 503 Y HA -0.223 4.334 4.550 0.012 0.000 0.227 503 Y C 0.523 176.594 175.900 0.285 0.000 1.154 503 Y CA 0.356 58.619 58.100 0.273 0.000 1.887 503 Y CB -2.175 36.421 38.460 0.226 0.000 1.594 503 Y HN 0.973 nan 8.280 nan 0.000 0.668 504 A N 1.086 124.134 122.820 0.379 0.000 2.425 504 A HA 0.560 4.887 4.320 0.012 0.000 0.249 504 A C 0.714 178.526 177.584 0.380 0.000 1.084 504 A CA -0.428 51.833 52.037 0.373 0.000 0.781 504 A CB 0.406 19.667 19.000 0.435 0.000 1.019 504 A HN 0.434 nan 8.150 nan 0.000 0.490 505 R N 1.378 122.026 120.500 0.246 0.000 2.546 505 R HA 0.329 4.676 4.340 0.012 0.000 0.266 505 R C 1.005 177.273 176.300 -0.052 0.000 1.086 505 R CA -0.708 55.463 56.100 0.119 0.000 1.160 505 R CB 0.635 30.973 30.300 0.062 0.000 1.138 505 R HN 0.491 nan 8.270 nan 0.000 0.567 506 V N 0.669 120.381 119.914 -0.337 0.000 2.283 506 V HA -0.194 3.933 4.120 0.012 0.000 0.243 506 V C 0.943 176.918 176.094 -0.199 0.000 1.039 506 V CA 1.863 63.931 62.300 -0.386 0.000 1.016 506 V CB -0.250 31.216 31.823 -0.594 0.000 0.650 506 V HN 0.745 nan 8.190 nan 0.000 0.449 507 D N -1.468 118.848 120.400 -0.139 0.000 2.473 507 D HA 0.102 4.749 4.640 0.012 0.000 0.230 507 D C 0.890 177.171 176.300 -0.032 0.000 1.097 507 D CA 0.049 54.002 54.000 -0.078 0.000 0.861 507 D CB 0.721 41.480 40.800 -0.069 0.000 1.114 507 D HN 0.480 nan 8.370 nan 0.000 0.500 508 E N 1.954 122.139 120.200 -0.025 0.000 2.200 508 E HA 0.100 4.457 4.350 0.012 0.000 0.283 508 E C -0.802 175.795 176.600 -0.004 0.000 1.015 508 E CA -0.574 55.820 56.400 -0.011 0.000 0.819 508 E CB 0.933 30.626 29.700 -0.011 0.000 1.081 508 E HN -0.172 nan 8.360 nan 0.000 0.397 509 D N 3.801 124.202 120.400 0.002 0.000 2.304 509 D HA 0.120 4.767 4.640 0.012 0.000 0.247 509 D C -0.560 175.629 176.300 -0.185 0.000 1.089 509 D CA 0.205 54.199 54.000 -0.010 0.000 0.910 509 D CB 1.207 42.082 40.800 0.125 0.000 1.199 509 D HN 0.433 nan 8.370 nan 0.000 0.426 510 Q N 1.633 121.191 119.800 -0.403 0.000 2.771 510 Q HA 0.239 4.586 4.340 0.012 0.000 0.247 510 Q C -2.239 173.089 176.000 -1.120 0.000 0.986 510 Q CA -1.523 53.838 55.803 -0.737 0.000 0.713 510 Q CB 2.498 30.733 28.738 -0.840 0.000 1.241 510 Q HN 0.182 nan 8.270 nan 0.000 0.488 511 P HA 0.007 nan 4.420 nan 0.000 0.225 511 P C -0.658 176.345 177.300 -0.495 0.000 1.768 511 P CA -0.058 62.599 63.100 -0.739 0.000 0.943 511 P CB -0.555 30.919 31.700 -0.376 0.000 1.936 512 F N 1.997 121.762 119.950 -0.308 0.000 2.553 512 F HA 0.145 4.679 4.527 0.011 0.000 0.356 512 F C -1.209 174.475 175.800 -0.193 0.000 1.142 512 F CA -2.328 55.553 58.000 -0.198 0.000 1.322 512 F CB -0.470 38.428 39.000 -0.171 0.000 1.126 512 F HN 0.065 nan 8.300 nan 0.000 0.599 513 P HA 0.130 nan 4.420 nan 0.000 0.271 513 P C 0.249 177.556 177.300 0.013 0.000 1.216 513 P CA 0.920 64.029 63.100 0.015 0.000 0.776 513 P CB 1.224 32.933 31.700 0.016 0.000 0.881 514 A N 2.619 125.439 122.820 -0.001 0.000 2.617 514 A HA -0.243 4.084 4.320 0.012 0.000 0.236 514 A C 0.726 178.310 177.584 -0.001 0.000 0.551 514 A CA 1.989 54.030 52.037 0.006 0.000 1.144 514 A CB -2.704 16.303 19.000 0.011 0.000 1.384 514 A HN 0.708 nan 8.150 nan 0.000 0.694 515 V N -2.822 117.089 119.914 -0.007 0.000 2.454 515 V HA 0.578 4.705 4.120 0.012 0.000 0.255 515 V C -2.377 173.699 176.094 -0.030 0.000 1.009 515 V CA -1.319 60.979 62.300 -0.004 0.000 1.149 515 V CB 0.614 32.443 31.823 0.011 0.000 1.418 515 V HN 0.489 nan 8.190 nan 0.000 0.567 516 P HA 0.257 nan 4.420 nan 0.000 0.272 516 P C -0.587 176.258 177.300 -0.758 0.000 1.223 516 P CA 0.093 62.794 63.100 -0.664 0.000 0.784 516 P CB 1.034 31.879 31.700 -1.425 0.000 0.923 517 K N 2.187 122.179 120.400 -0.680 0.000 2.423 517 K HA 0.191 4.518 4.320 0.012 0.000 0.234 517 K C -0.405 175.903 176.600 -0.487 0.000 1.051 517 K CA -0.281 55.823 56.287 -0.304 0.000 1.021 517 K CB 0.297 32.876 32.500 0.132 0.000 1.474 517 K HN 0.473 nan 8.250 nan 0.000 0.474 518 W N 1.289 122.258 121.300 -0.551 0.000 2.112 518 W HA 0.024 4.691 4.660 0.013 0.000 0.349 518 W C 1.366 177.890 176.519 0.008 0.000 1.289 518 W CA -0.390 56.734 57.345 -0.368 0.000 1.256 518 W CB 0.437 29.506 29.460 -0.651 0.000 1.148 518 W HN 0.356 nan 8.180 nan 0.000 0.590 519 S N 3.160 119.019 115.700 0.264 0.000 2.558 519 S HA -0.087 4.390 4.470 0.012 0.000 0.293 519 S C 1.185 175.938 174.600 0.255 0.000 1.292 519 S CA -0.121 58.180 58.200 0.168 0.000 1.063 519 S CB 0.164 63.411 63.200 0.079 0.000 0.831 519 S HN 0.504 nan 8.310 nan 0.000 0.499 520 I N 2.092 122.771 120.570 0.182 0.000 2.361 520 I HA -0.121 4.056 4.170 0.012 0.000 0.251 520 I C 2.015 178.154 176.117 0.036 0.000 1.133 520 I CA 1.202 62.609 61.300 0.179 0.000 1.413 520 I CB -0.418 37.629 38.000 0.078 0.000 1.073 520 I HN 0.598 nan 8.210 nan 0.000 0.424 521 K N 1.491 121.810 120.400 -0.135 0.000 2.097 521 K HA -0.135 4.192 4.320 0.012 0.000 0.205 521 K C 2.299 178.876 176.600 -0.039 0.000 1.050 521 K CA 1.392 57.505 56.287 -0.291 0.000 0.938 521 K CB -0.171 32.056 32.500 -0.454 0.000 0.718 521 K HN 0.347 nan 8.250 nan 0.000 0.442 522 K N 0.183 120.591 120.400 0.014 0.000 2.103 522 K HA -0.163 4.164 4.320 0.012 0.000 0.204 522 K C 1.851 178.465 176.600 0.023 0.000 1.052 522 K CA 0.808 57.089 56.287 -0.010 0.000 0.945 522 K CB -0.035 32.431 32.500 -0.058 0.000 0.722 522 K HN 0.225 nan 8.250 nan 0.000 0.443 523 W N 2.118 123.390 121.300 -0.046 0.000 2.338 523 W HA -0.166 4.499 4.660 0.009 0.000 0.304 523 W C 1.637 178.131 176.519 -0.043 0.000 1.212 523 W CA 1.005 58.334 57.345 -0.026 0.000 1.264 523 W CB -0.601 28.929 29.460 0.118 0.000 1.142 523 W HN 0.061 nan 8.180 nan 0.000 0.512 524 L N 0.881 122.248 121.223 0.240 0.000 2.127 524 L HA -0.237 4.111 4.340 0.012 0.000 0.211 524 L C 2.223 179.155 176.870 0.103 0.000 1.089 524 L CA 1.932 56.851 54.840 0.132 0.000 0.757 524 L CB -0.916 41.206 42.059 0.105 0.000 0.899 524 L HN -0.015 nan 8.230 nan 0.000 0.434 525 S N -1.432 114.313 115.700 0.075 0.000 2.572 525 S HA 0.261 4.738 4.470 0.012 0.000 0.228 525 S C 0.545 175.131 174.600 -0.023 0.000 0.963 525 S CA -0.546 57.671 58.200 0.028 0.000 0.939 525 S CB -0.396 62.821 63.200 0.028 0.000 0.804 525 S HN 0.147 nan 8.310 nan 0.000 0.480 526 L N 1.931 123.131 121.223 -0.037 0.000 2.483 526 L HA 0.250 4.597 4.340 0.012 0.000 0.275 526 L C -2.210 174.628 176.870 -0.053 0.000 1.220 526 L CA -1.842 52.929 54.840 -0.116 0.000 0.833 526 L CB -0.301 41.665 42.059 -0.155 0.000 1.102 526 L HN 0.026 nan 8.230 nan 0.000 0.490 527 P HA -0.026 nan 4.420 nan 0.000 0.258 527 P C 0.717 178.010 177.300 -0.012 0.000 1.172 527 P CA 1.065 64.142 63.100 -0.038 0.000 0.762 527 P CB 0.470 32.142 31.700 -0.046 0.000 0.764 528 G N 1.873 110.672 108.800 -0.001 0.000 2.205 528 G HA2 -0.277 3.690 3.960 0.012 0.000 0.261 528 G HA3 -0.277 3.690 3.960 0.012 0.000 0.261 528 G C 0.265 175.179 174.900 0.024 0.000 0.980 528 G CA 0.148 45.255 45.100 0.012 0.000 0.632 528 G HN 0.617 nan 8.290 nan 0.000 0.533 529 E N 0.985 121.204 120.200 0.032 0.000 2.338 529 E HA 0.603 4.960 4.350 0.012 0.000 0.272 529 E C 1.327 177.951 176.600 0.039 0.000 1.029 529 E CA 0.685 57.116 56.400 0.052 0.000 0.872 529 E CB 0.794 30.550 29.700 0.094 0.000 1.015 529 E HN 0.549 nan 8.360 nan 0.000 0.417 530 T N 0.537 115.111 114.554 0.034 0.000 3.130 530 T HA 0.319 4.676 4.350 0.012 0.000 0.288 530 T C 0.523 175.232 174.700 0.016 0.000 0.936 530 T CA -0.486 61.629 62.100 0.025 0.000 0.897 530 T CB 0.054 68.935 68.868 0.023 0.000 1.178 530 T HN 0.262 nan 8.240 nan 0.000 0.543 531 R N 2.398 122.904 120.500 0.009 0.000 2.679 531 R HA 0.443 4.790 4.340 0.012 0.000 0.269 531 R C -2.506 173.776 176.300 -0.030 0.000 1.076 531 R CA -1.747 54.348 56.100 -0.008 0.000 1.160 531 R CB 0.076 30.366 30.300 -0.018 0.000 1.054 531 R HN 0.238 nan 8.270 nan 0.000 0.507 532 P HA 0.072 nan 4.420 nan 0.000 0.274 532 P C -1.021 176.213 177.300 -0.110 0.000 1.246 532 P CA -0.119 62.943 63.100 -0.063 0.000 0.795 532 P CB 0.667 32.330 31.700 -0.061 0.000 1.006 533 L N 2.363 123.501 121.223 -0.142 0.000 2.349 533 L HA 0.570 4.917 4.340 0.012 0.000 0.278 533 L C -0.989 175.746 176.870 -0.224 0.000 0.996 533 L CA -0.634 54.083 54.840 -0.206 0.000 0.825 533 L CB 0.540 42.470 42.059 -0.216 0.000 1.243 533 L HN 0.229 nan 8.230 nan 0.000 0.412 534 I N 5.704 126.149 120.570 -0.208 0.000 2.497 534 I HA 0.255 4.432 4.170 0.012 0.000 0.284 534 I C -0.733 175.305 176.117 -0.131 0.000 1.060 534 I CA -0.528 60.639 61.300 -0.221 0.000 1.071 534 I CB 1.963 39.883 38.000 -0.132 0.000 1.216 534 I HN 0.472 nan 8.210 nan 0.000 0.442 535 L N 5.437 126.561 121.223 -0.165 0.000 2.455 535 L HA 0.024 4.371 4.340 0.012 0.000 0.272 535 L C 1.469 178.431 176.870 0.153 0.000 1.174 535 L CA -0.084 54.730 54.840 -0.043 0.000 0.869 535 L CB 0.612 42.641 42.059 -0.050 0.000 1.130 535 L HN 0.857 nan 8.230 nan 0.000 0.474 536 C N 0.500 119.864 119.300 0.106 0.000 2.468 536 C HA 0.141 4.608 4.460 0.012 0.000 0.277 536 C C 0.693 175.832 174.990 0.247 0.000 1.400 536 C CA -0.262 58.866 59.018 0.183 0.000 1.770 536 C CB -0.968 26.785 27.740 0.021 0.000 1.905 536 C HN 0.808 nan 8.230 nan 0.000 0.519 537 Q N -0.338 119.541 119.800 0.131 0.000 2.268 537 Q HA 0.596 4.942 4.340 0.012 0.000 0.266 537 Q C -1.473 174.526 176.000 -0.001 0.000 1.006 537 Q CA -0.300 55.567 55.803 0.108 0.000 0.824 537 Q CB 2.264 30.834 28.738 -0.279 0.000 1.306 537 Q HN 0.762 nan 8.270 nan 0.000 0.424 538 Y N -0.063 120.276 120.300 0.064 0.000 2.597 538 Y HA 0.836 5.394 4.550 0.013 0.000 0.340 538 Y C -0.540 175.517 175.900 0.261 0.000 1.097 538 Y CA -0.737 57.379 58.100 0.026 0.000 1.037 538 Y CB 1.119 39.415 38.460 -0.274 0.000 1.305 538 Y HN 0.915 nan 8.280 nan 0.000 0.463 539 A N 1.580 124.489 122.820 0.149 0.000 2.770 539 A HA -0.009 4.318 4.320 0.012 0.000 0.674 539 A C -1.256 176.584 177.584 0.428 0.000 0.315 539 A CA 0.657 52.808 52.037 0.189 0.000 0.133 539 A CB -1.382 17.654 19.000 0.060 0.000 3.903 539 A HN 1.695 nan 8.150 nan 0.000 0.543 540 H N 0.394 119.589 119.070 0.209 0.000 3.198 540 H HA 0.495 5.058 4.556 0.011 0.000 0.317 540 H C 0.087 175.471 175.328 0.094 0.000 1.178 540 H CA 0.324 56.546 56.048 0.290 0.000 1.609 540 H CB 0.630 30.452 29.762 0.099 0.000 1.819 540 H HN 1.643 nan 8.280 nan 0.000 0.533 541 A N 6.050 128.801 122.820 -0.115 0.000 2.810 541 A HA 0.117 4.444 4.320 0.012 0.000 0.247 541 A C 0.766 178.148 177.584 -0.335 0.000 1.576 541 A CA -0.313 51.593 52.037 -0.219 0.000 1.294 541 A CB -0.747 18.117 19.000 -0.228 0.000 0.976 541 A HN 0.689 nan 8.150 nan 0.000 0.631 542 M N 1.417 120.839 119.600 -0.297 0.000 2.105 542 M HA 0.464 4.951 4.480 0.012 0.000 0.350 542 M C 0.916 176.966 176.300 -0.416 0.000 1.308 542 M CA 1.171 56.270 55.300 -0.336 0.000 1.108 542 M CB -0.042 32.450 32.600 -0.179 0.000 1.622 542 M HN 0.838 nan 8.290 nan 0.000 0.468 543 G N 4.225 112.694 108.800 -0.551 0.000 2.552 543 G HA2 -0.329 3.638 3.960 0.012 0.000 0.265 543 G HA3 -0.329 3.638 3.960 0.012 0.000 0.265 543 G C -0.328 173.944 174.900 -1.045 0.000 1.234 543 G CA -0.031 44.595 45.100 -0.790 0.000 0.944 543 G HN 0.848 nan 8.290 nan 0.000 0.568 544 N N 1.100 119.113 118.700 -1.145 0.000 2.448 544 N HA 0.520 5.267 4.740 0.012 0.000 0.250 544 N C 0.063 175.287 175.510 -0.476 0.000 1.136 544 N CA 1.032 53.586 53.050 -0.827 0.000 0.953 544 N CB 0.619 38.664 38.487 -0.738 0.000 1.251 544 N HN 0.856 nan 8.380 nan 0.000 0.502 545 S N 2.229 117.723 115.700 -0.343 0.000 3.144 545 S HA 0.584 5.061 4.470 0.012 0.000 0.325 545 S C -0.080 174.434 174.600 -0.144 0.000 1.161 545 S CA -0.309 57.755 58.200 -0.227 0.000 0.920 545 S CB 0.001 63.079 63.200 -0.204 0.000 1.340 545 S HN 0.373 nan 8.310 nan 0.000 0.681 546 L N 0.079 121.259 121.223 -0.071 0.000 4.800 546 L HA -0.063 4.284 4.340 0.012 0.000 0.412 546 L C 0.559 177.475 176.870 0.077 0.000 1.063 546 L CA 0.919 55.753 54.840 -0.010 0.000 1.114 546 L CB -1.773 40.191 42.059 -0.158 0.000 2.089 546 L HN 0.738 nan 8.230 nan 0.000 0.686 547 G N -0.879 107.930 108.800 0.015 0.000 2.398 547 G HA2 0.461 4.428 3.960 0.012 0.000 0.246 547 G HA3 0.461 4.428 3.960 0.012 0.000 0.246 547 G C 1.244 176.192 174.900 0.080 0.000 1.289 547 G CA 0.136 45.227 45.100 -0.014 0.000 0.869 547 G HN 1.388 nan 8.290 nan 0.000 0.543 548 G N 1.425 110.263 108.800 0.064 0.000 2.176 548 G HA2 -0.323 3.644 3.960 0.012 0.000 0.253 548 G HA3 -0.323 3.644 3.960 0.012 0.000 0.253 548 G C 1.035 176.120 174.900 0.307 0.000 0.979 548 G CA 0.802 45.994 45.100 0.154 0.000 0.641 548 G HN 0.786 nan 8.290 nan 0.000 0.530 549 F N 1.838 121.914 119.950 0.209 0.000 2.161 549 F HA 0.133 4.667 4.527 0.012 0.000 0.300 549 F C 2.655 178.675 175.800 0.367 0.000 1.089 549 F CA 2.443 60.646 58.000 0.338 0.000 1.282 549 F CB -0.389 38.754 39.000 0.237 0.000 1.010 549 F HN 0.347 nan 8.300 nan 0.000 0.485 550 A N -0.479 122.512 122.820 0.284 0.000 2.067 550 A HA -0.203 4.124 4.320 0.012 0.000 0.219 550 A C 2.272 179.881 177.584 0.041 0.000 1.158 550 A CA 1.537 53.676 52.037 0.169 0.000 0.661 550 A CB -0.762 18.341 19.000 0.171 0.000 0.801 550 A HN 0.437 nan 8.150 nan 0.000 0.452 551 K N -1.504 118.898 120.400 0.003 0.000 2.097 551 K HA -0.168 4.159 4.320 0.012 0.000 0.206 551 K C 1.626 177.989 176.600 -0.395 0.000 1.049 551 K CA 1.529 57.726 56.287 -0.149 0.000 0.933 551 K CB -0.291 32.129 32.500 -0.134 0.000 0.717 551 K HN 0.586 nan 8.250 nan 0.000 0.442 552 Y N -0.877 119.142 120.300 -0.470 0.000 2.163 552 Y HA -0.230 4.327 4.550 0.011 0.000 0.288 552 Y C 1.974 176.900 175.900 -1.622 0.000 1.136 552 Y CA 1.497 58.943 58.100 -1.090 0.000 1.147 552 Y CB -0.306 37.485 38.460 -1.116 0.000 0.987 552 Y HN 0.164 nan 8.280 nan 0.000 0.509 553 W N 0.060 120.940 121.300 -0.701 0.000 2.363 553 W HA -0.204 4.464 4.660 0.013 0.000 0.296 553 W C 2.626 178.977 176.519 -0.280 0.000 1.212 553 W CA 1.513 58.586 57.345 -0.454 0.000 1.260 553 W CB -0.515 28.773 29.460 -0.287 0.000 1.131 553 W HN 0.055 nan 8.180 nan 0.000 0.530 554 Q N 0.807 120.526 119.800 -0.135 0.000 2.084 554 Q HA -0.162 4.185 4.340 0.012 0.000 0.202 554 Q C 2.183 178.122 176.000 -0.102 0.000 0.978 554 Q CA 2.027 57.788 55.803 -0.070 0.000 0.844 554 Q CB -0.595 28.114 28.738 -0.048 0.000 0.898 554 Q HN 0.266 nan 8.270 nan 0.000 0.426 555 A N 0.091 122.757 122.820 -0.258 0.000 1.873 555 A HA -0.117 4.210 4.320 0.012 0.000 0.215 555 A C 2.068 179.614 177.584 -0.062 0.000 1.186 555 A CA 1.163 53.077 52.037 -0.205 0.000 0.616 555 A CB -1.114 17.635 19.000 -0.418 0.000 0.823 555 A HN 0.474 nan 8.150 nan 0.000 0.442 556 F N -0.356 119.411 119.950 -0.304 0.000 2.126 556 F HA -0.230 4.304 4.527 0.012 0.000 0.299 556 F C 2.768 178.467 175.800 -0.168 0.000 1.096 556 F CA 1.209 59.002 58.000 -0.345 0.000 1.255 556 F CB -0.174 38.395 39.000 -0.718 0.000 0.997 556 F HN 0.162 nan 8.300 nan 0.000 0.479 557 R N -0.010 120.538 120.500 0.081 0.000 2.115 557 R HA -0.153 4.194 4.340 0.012 0.000 0.226 557 R C 2.115 178.448 176.300 0.054 0.000 1.100 557 R CA 1.063 57.198 56.100 0.059 0.000 0.980 557 R CB -0.398 29.933 30.300 0.053 0.000 0.875 557 R HN 0.379 nan 8.270 nan 0.000 0.445 558 Q N -0.203 119.654 119.800 0.095 0.000 2.123 558 Q HA -0.078 4.269 4.340 0.012 0.000 0.199 558 Q C -0.433 175.599 176.000 0.053 0.000 0.966 558 Q CA 1.072 56.928 55.803 0.087 0.000 0.845 558 Q CB 0.323 29.141 28.738 0.134 0.000 0.907 558 Q HN 0.185 nan 8.270 nan 0.000 0.439 559 Y N -0.130 120.150 120.300 -0.034 0.000 2.331 559 Y HA 0.271 4.828 4.550 0.011 0.000 0.338 559 Y C -1.792 174.083 175.900 -0.043 0.000 0.976 559 Y CA -2.852 55.229 58.100 -0.033 0.000 1.137 559 Y CB 1.487 39.931 38.460 -0.026 0.000 1.172 559 Y HN 0.106 nan 8.280 nan 0.000 0.478 560 P HA -0.161 nan 4.420 nan 0.000 0.215 560 P C 1.119 178.422 177.300 0.005 0.000 1.157 560 P CA 1.899 65.001 63.100 0.004 0.000 0.874 560 P CB 0.311 31.999 31.700 -0.020 0.000 0.790 561 R N -1.182 119.340 120.500 0.036 0.000 2.280 561 R HA 0.064 4.411 4.340 0.012 0.000 0.207 561 R C 0.520 176.802 176.300 -0.031 0.000 1.043 561 R CA 0.205 56.308 56.100 0.004 0.000 1.006 561 R CB -0.553 29.758 30.300 0.017 0.000 0.885 561 R HN 0.243 nan 8.270 nan 0.000 0.467 562 L N 2.037 123.262 121.223 0.003 0.000 2.312 562 L HA 0.101 4.448 4.340 0.012 0.000 0.287 562 L C 0.514 177.249 176.870 -0.226 0.000 1.091 562 L CA 0.209 55.004 54.840 -0.075 0.000 0.846 562 L CB 0.985 43.071 42.059 0.044 0.000 1.219 562 L HN 0.095 nan 8.230 nan 0.000 0.439 563 Q N 2.929 122.521 119.800 -0.347 0.000 2.211 563 Q HA 0.315 4.662 4.340 0.012 0.000 0.231 563 Q C 0.795 176.385 176.000 -0.684 0.000 0.865 563 Q CA 0.062 55.618 55.803 -0.412 0.000 0.997 563 Q CB 1.015 29.603 28.738 -0.250 0.000 1.101 563 Q HN 0.949 nan 8.270 nan 0.000 0.468 564 G N -0.371 107.641 108.800 -1.312 0.000 2.416 564 G HA2 0.093 4.060 3.960 0.012 0.000 0.203 564 G HA3 0.093 4.060 3.960 0.012 0.000 0.203 564 G C -0.284 173.788 174.900 -1.380 0.000 1.227 564 G CA -0.745 43.213 45.100 -1.903 0.000 1.041 564 G HN 0.590 nan 8.290 nan 0.000 0.546 565 G N -2.255 106.024 108.800 -0.868 0.000 2.349 565 G HA2 0.642 4.609 3.960 0.012 0.000 0.294 565 G HA3 0.642 4.609 3.960 0.012 0.000 0.294 565 G C -1.824 173.036 174.900 -0.066 0.000 1.380 565 G CA -0.295 44.536 45.100 -0.448 0.000 0.811 565 G HN 1.144 nan 8.290 nan 0.000 0.519 566 F N 0.741 120.955 119.950 0.440 0.000 2.403 566 F HA 0.509 5.043 4.527 0.011 0.000 0.355 566 F C 0.792 176.863 175.800 0.452 0.000 1.119 566 F CA -0.748 57.514 58.000 0.437 0.000 1.007 566 F CB 2.042 41.200 39.000 0.262 0.000 1.194 566 F HN 0.251 nan 8.300 nan 0.000 0.443 567 V N 3.387 123.586 119.914 0.475 0.000 2.872 567 V HA -0.159 3.968 4.120 0.012 0.000 0.307 567 V C -0.197 176.035 176.094 0.230 0.000 1.072 567 V CA -0.203 62.170 62.300 0.122 0.000 1.148 567 V CB 0.693 32.628 31.823 0.188 0.000 0.954 567 V HN 0.774 nan 8.190 nan 0.000 0.490 568 W N 6.550 127.905 121.300 0.091 0.000 2.278 568 W HA 0.451 5.118 4.660 0.011 0.000 0.317 568 W C -0.856 175.683 176.519 0.033 0.000 1.030 568 W CA -0.671 56.772 57.345 0.162 0.000 1.334 568 W CB 1.285 30.981 29.460 0.393 0.000 1.215 568 W HN 0.920 nan 8.180 nan 0.000 0.405 569 D N 2.799 122.856 120.400 -0.572 0.000 2.895 569 D HA 0.106 4.753 4.640 0.012 0.000 0.320 569 D C 0.622 176.742 176.300 -0.299 0.000 1.249 569 D CA -0.545 53.047 54.000 -0.681 0.000 0.997 569 D CB 0.198 40.090 40.800 -1.512 0.000 1.430 569 D HN 0.419 nan 8.370 nan 0.000 0.558 570 W N 0.362 121.398 121.300 -0.439 0.000 2.413 570 W HA 0.162 4.829 4.660 0.012 0.000 0.315 570 W C -0.108 176.264 176.519 -0.244 0.000 1.186 570 W CA 1.010 58.157 57.345 -0.329 0.000 1.326 570 W CB 0.360 29.639 29.460 -0.301 0.000 1.153 570 W HN 0.152 nan 8.180 nan 0.000 0.489 571 V N 2.743 122.502 119.914 -0.258 0.000 2.656 571 V HA 0.253 4.380 4.120 0.012 0.000 0.307 571 V C -0.890 175.072 176.094 -0.221 0.000 1.051 571 V CA -0.794 61.303 62.300 -0.339 0.000 0.893 571 V CB 1.489 33.192 31.823 -0.199 0.000 0.999 571 V HN -0.095 nan 8.190 nan 0.000 0.426 572 D N 4.059 124.342 120.400 -0.194 0.000 2.488 572 D HA 0.114 4.761 4.640 0.012 0.000 0.238 572 D C 0.298 176.460 176.300 -0.230 0.000 1.138 572 D CA 0.627 54.533 54.000 -0.156 0.000 0.873 572 D CB 0.890 41.673 40.800 -0.028 0.000 1.183 572 D HN 0.625 nan 8.370 nan 0.000 0.458 573 Q N 1.116 120.699 119.800 -0.361 0.000 3.122 573 Q HA 0.142 4.489 4.340 0.012 0.000 0.360 573 Q C -0.156 175.797 176.000 -0.079 0.000 1.300 573 Q CA -0.327 55.026 55.803 -0.751 0.000 0.982 573 Q CB 0.051 28.471 28.738 -0.531 0.000 1.534 573 Q HN 0.358 nan 8.270 nan 0.000 0.474 574 S N -0.179 115.579 115.700 0.097 0.000 2.654 574 S HA 0.667 5.144 4.470 0.012 0.000 0.283 574 S C -0.153 174.619 174.600 0.288 0.000 1.180 574 S CA -0.799 57.573 58.200 0.287 0.000 1.021 574 S CB 1.551 64.901 63.200 0.249 0.000 1.018 574 S HN 0.332 nan 8.310 nan 0.000 0.532 575 L N 1.560 122.865 121.223 0.136 0.000 2.354 575 L HA 0.534 4.881 4.340 0.012 0.000 0.269 575 L C -0.556 176.221 176.870 -0.154 0.000 1.005 575 L CA -1.179 53.620 54.840 -0.069 0.000 0.819 575 L CB 1.578 43.480 42.059 -0.262 0.000 1.311 575 L HN 0.560 nan 8.230 nan 0.000 0.423 576 I N 2.281 122.704 120.570 -0.246 0.000 2.428 576 I HA 0.293 4.470 4.170 0.012 0.000 0.289 576 I C 0.078 175.810 176.117 -0.643 0.000 1.019 576 I CA -0.137 60.881 61.300 -0.470 0.000 1.351 576 I CB 1.155 38.880 38.000 -0.458 0.000 1.412 576 I HN 0.571 nan 8.210 nan 0.000 0.513 577 K N 5.227 124.964 120.400 -1.104 0.000 2.400 577 K HA 0.584 4.911 4.320 0.012 0.000 0.246 577 K C -1.600 174.192 176.600 -1.346 0.000 0.995 577 K CA -0.700 54.853 56.287 -1.222 0.000 0.840 577 K CB 2.440 33.966 32.500 -1.624 0.000 1.293 577 K HN 0.256 nan 8.250 nan 0.000 0.445 578 Y N 0.794 120.841 120.300 -0.422 0.000 2.409 578 Y HA 0.134 4.691 4.550 0.012 0.000 0.343 578 Y C 0.099 176.067 175.900 0.113 0.000 0.973 578 Y CA -1.088 56.942 58.100 -0.117 0.000 1.064 578 Y CB 1.369 39.782 38.460 -0.078 0.000 1.207 578 Y HN 0.690 nan 8.280 nan 0.000 0.452 579 D N 0.207 120.845 120.400 0.396 0.000 2.414 579 D HA 0.036 4.683 4.640 0.012 0.000 0.251 579 D C 0.866 177.274 176.300 0.179 0.000 1.252 579 D CA -0.245 53.938 54.000 0.305 0.000 0.999 579 D CB 0.744 41.670 40.800 0.210 0.000 1.093 579 D HN 0.387 nan 8.370 nan 0.000 0.515 580 E N -0.627 119.640 120.200 0.112 0.000 2.160 580 E HA -0.142 4.215 4.350 0.012 0.000 0.195 580 E C 1.191 177.826 176.600 0.059 0.000 0.991 580 E CA 0.795 57.236 56.400 0.069 0.000 0.810 580 E CB -0.286 29.438 29.700 0.041 0.000 0.742 580 E HN 0.434 nan 8.360 nan 0.000 0.466 581 N N -0.497 118.245 118.700 0.070 0.000 2.467 581 N HA -0.025 4.722 4.740 0.012 0.000 0.184 581 N C 1.043 176.596 175.510 0.071 0.000 1.106 581 N CA 0.947 54.032 53.050 0.059 0.000 0.892 581 N CB 0.684 39.204 38.487 0.056 0.000 0.969 581 N HN 0.248 nan 8.380 nan 0.000 0.454 582 G N 0.924 109.788 108.800 0.106 0.000 2.143 582 G HA2 -0.238 3.729 3.960 0.012 0.000 0.249 582 G HA3 -0.238 3.729 3.960 0.012 0.000 0.249 582 G C -0.231 174.810 174.900 0.235 0.000 0.981 582 G CA -0.371 44.804 45.100 0.126 0.000 0.665 582 G HN 0.250 nan 8.290 nan 0.000 0.528 583 N N 1.808 120.643 118.700 0.226 0.000 2.472 583 N HA 0.470 5.217 4.740 0.012 0.000 0.277 583 N C -2.301 173.332 175.510 0.207 0.000 1.081 583 N CA -1.391 51.783 53.050 0.207 0.000 0.973 583 N CB 1.629 40.205 38.487 0.149 0.000 1.105 583 N HN 0.173 nan 8.380 nan 0.000 0.470 584 P HA 0.231 nan 4.420 nan 0.000 0.275 584 P C -0.518 176.707 177.300 -0.125 0.000 1.228 584 P CA -0.275 62.635 63.100 -0.316 0.000 0.786 584 P CB 0.579 32.123 31.700 -0.260 0.000 0.927 585 W N -0.390 120.647 121.300 -0.438 0.000 3.167 585 W HA 0.417 5.084 4.660 0.012 0.000 0.324 585 W C -1.382 174.939 176.519 -0.329 0.000 1.230 585 W CA -1.079 56.016 57.345 -0.417 0.000 1.184 585 W CB 0.396 29.356 29.460 -0.834 0.000 1.414 585 W HN 0.108 nan 8.180 nan 0.000 0.551 586 S N 1.709 117.489 115.700 0.135 0.000 2.481 586 S HA 0.543 5.020 4.470 0.012 0.000 0.276 586 S C 0.195 174.961 174.600 0.277 0.000 1.247 586 S CA -0.174 58.102 58.200 0.127 0.000 1.053 586 S CB 0.737 64.061 63.200 0.207 0.000 0.925 586 S HN 0.589 nan 8.310 nan 0.000 0.491 587 A N 3.122 125.973 122.820 0.052 0.000 2.337 587 A HA 0.875 5.202 4.320 0.012 0.000 0.331 587 A C -0.686 177.150 177.584 0.420 0.000 1.137 587 A CA -0.759 51.337 52.037 0.100 0.000 0.807 587 A CB 0.697 19.446 19.000 -0.420 0.000 1.250 587 A HN 0.832 nan 8.150 nan 0.000 0.468 588 Y N -0.585 120.029 120.300 0.523 0.000 2.944 588 Y HA 0.785 5.342 4.550 0.012 0.000 0.312 588 Y C 0.644 176.899 175.900 0.592 0.000 1.417 588 Y CA -1.401 57.003 58.100 0.508 0.000 1.105 588 Y CB -0.063 38.529 38.460 0.221 0.000 1.364 588 Y HN 0.890 nan 8.280 nan 0.000 0.540 589 G N -0.308 108.885 108.800 0.655 0.000 2.353 589 G HA2 0.378 4.345 3.960 0.012 0.000 0.239 589 G HA3 0.378 4.345 3.960 0.012 0.000 0.239 589 G C 0.939 176.155 174.900 0.526 0.000 1.295 589 G CA 0.330 45.736 45.100 0.511 0.000 0.884 589 G HN 1.964 nan 8.290 nan 0.000 0.537 590 G N 2.036 111.112 108.800 0.460 0.000 2.253 590 G HA2 -0.290 3.677 3.960 0.012 0.000 0.251 590 G HA3 -0.290 3.677 3.960 0.012 0.000 0.251 590 G C 0.942 176.031 174.900 0.314 0.000 0.998 590 G CA 0.710 46.019 45.100 0.348 0.000 0.621 590 G HN 0.642 nan 8.290 nan 0.000 0.524 591 D N -0.179 120.415 120.400 0.324 0.000 2.378 591 D HA 0.095 4.742 4.640 0.012 0.000 0.222 591 D C 1.304 177.462 176.300 -0.237 0.000 0.980 591 D CA 0.609 54.633 54.000 0.040 0.000 0.907 591 D CB -0.211 40.554 40.800 -0.059 0.000 0.899 591 D HN 0.497 nan 8.370 nan 0.000 0.527 592 F N -1.028 119.043 119.950 0.201 0.000 2.698 592 F HA 0.318 4.852 4.527 0.012 0.000 0.304 592 F C 1.780 177.664 175.800 0.140 0.000 1.108 592 F CA -0.170 57.909 58.000 0.132 0.000 1.263 592 F CB 0.828 39.902 39.000 0.123 0.000 1.013 592 F HN -0.049 nan 8.300 nan 0.000 0.532 593 G N 0.265 109.220 108.800 0.258 0.000 2.179 593 G HA2 -0.279 3.688 3.960 0.012 0.000 0.260 593 G HA3 -0.279 3.688 3.960 0.012 0.000 0.260 593 G C -0.129 174.904 174.900 0.221 0.000 0.977 593 G CA 0.140 45.362 45.100 0.203 0.000 0.641 593 G HN 0.417 nan 8.290 nan 0.000 0.533 594 D N 0.607 121.186 120.400 0.299 0.000 2.417 594 D HA 0.482 5.129 4.640 0.012 0.000 0.250 594 D C 0.113 176.529 176.300 0.194 0.000 1.166 594 D CA 1.031 55.194 54.000 0.271 0.000 0.881 594 D CB 1.573 42.595 40.800 0.370 0.000 1.164 594 D HN 0.409 nan 8.370 nan 0.000 0.467 595 T N 1.152 115.790 114.554 0.139 0.000 3.047 595 T HA 0.416 4.773 4.350 0.012 0.000 0.340 595 T C -2.798 171.937 174.700 0.058 0.000 1.421 595 T CA -1.162 60.992 62.100 0.091 0.000 1.090 595 T CB 1.132 70.055 68.868 0.093 0.000 1.292 595 T HN 0.193 nan 8.240 nan 0.000 0.480 596 P HA 0.472 nan 4.420 nan 0.000 0.271 596 P C -0.903 176.384 177.300 -0.023 0.000 1.233 596 P CA -0.254 62.842 63.100 -0.007 0.000 0.789 596 P CB 0.342 32.011 31.700 -0.050 0.000 0.951 597 N N -1.654 117.029 118.700 -0.028 0.000 2.732 597 N HA 0.311 5.058 4.740 0.012 0.000 0.259 597 N C -1.175 174.274 175.510 -0.103 0.000 1.402 597 N CA -0.781 52.227 53.050 -0.071 0.000 0.829 597 N CB 0.907 39.439 38.487 0.075 0.000 1.495 597 N HN 0.070 nan 8.380 nan 0.000 0.511 598 D N -0.230 120.051 120.400 -0.199 0.000 2.755 598 D HA 0.136 4.783 4.640 0.012 0.000 0.257 598 D C 0.456 176.945 176.300 0.315 0.000 1.291 598 D CA -0.138 53.832 54.000 -0.050 0.000 0.836 598 D CB 0.168 40.786 40.800 -0.302 0.000 1.059 598 D HN 0.722 nan 8.370 nan 0.000 0.486 599 R N 0.861 121.547 120.500 0.310 0.000 3.587 599 R HA -0.326 4.021 4.340 0.012 0.000 0.556 599 R C 1.039 177.390 176.300 0.085 0.000 0.241 599 R CA 1.580 57.870 56.100 0.317 0.000 1.724 599 R CB -1.524 28.885 30.300 0.182 0.000 0.885 599 R HN 0.138 nan 8.270 nan 0.000 0.613 600 Q N 1.374 120.888 119.800 -0.476 0.000 2.415 600 Q HA 0.021 4.368 4.340 0.012 0.000 0.206 600 Q C 1.524 177.261 176.000 -0.439 0.000 0.946 600 Q CA 1.115 56.461 55.803 -0.763 0.000 0.951 600 Q CB 0.052 28.101 28.738 -1.148 0.000 1.026 600 Q HN 0.615 nan 8.270 nan 0.000 0.510 601 F N 1.469 121.351 119.950 -0.114 0.000 2.641 601 F HA -0.106 4.428 4.527 0.012 0.000 0.298 601 F C 2.086 177.835 175.800 -0.085 0.000 1.146 601 F CA 0.885 58.891 58.000 0.011 0.000 1.464 601 F CB -0.038 39.046 39.000 0.140 0.000 1.101 601 F HN 0.392 nan 8.300 nan 0.000 0.585 602 C N -1.386 117.649 119.300 -0.441 0.000 2.576 602 C HA 0.209 4.676 4.460 0.012 0.000 0.267 602 C C 1.015 175.804 174.990 -0.336 0.000 1.364 602 C CA -0.469 58.100 59.018 -0.748 0.000 1.723 602 C CB -1.674 25.124 27.740 -1.570 0.000 1.778 602 C HN 0.194 nan 8.230 nan 0.000 0.572 603 M N 2.629 122.082 119.600 -0.246 0.000 2.060 603 M HA 0.268 4.755 4.480 0.012 0.000 0.342 603 M C -0.403 175.762 176.300 -0.226 0.000 1.031 603 M CA 0.327 55.510 55.300 -0.195 0.000 0.981 603 M CB 0.044 32.558 32.600 -0.142 0.000 1.376 603 M HN 0.365 nan 8.290 nan 0.000 0.397 604 N N 0.980 119.546 118.700 -0.223 0.000 2.299 604 N HA 0.202 4.949 4.740 0.012 0.000 0.246 604 N C 0.314 175.616 175.510 -0.346 0.000 1.254 604 N CA -0.544 52.327 53.050 -0.300 0.000 0.879 604 N CB 1.225 39.586 38.487 -0.211 0.000 1.214 604 N HN 0.640 nan 8.380 nan 0.000 0.510 605 G N 0.040 108.659 108.800 -0.302 0.000 2.448 605 G HA2 0.330 4.297 3.960 0.012 0.000 0.285 605 G HA3 0.330 4.297 3.960 0.012 0.000 0.285 605 G C 0.796 175.549 174.900 -0.245 0.000 1.176 605 G CA -0.552 44.366 45.100 -0.304 0.000 0.852 605 G HN 0.114 nan 8.290 nan 0.000 0.530 606 L N 0.250 121.288 121.223 -0.309 0.000 2.275 606 L HA 0.053 4.400 4.340 0.012 0.000 0.215 606 L C 1.031 177.702 176.870 -0.330 0.000 1.119 606 L CA 0.593 55.272 54.840 -0.269 0.000 0.790 606 L CB -0.460 41.434 42.059 -0.275 0.000 0.919 606 L HN 0.411 nan 8.230 nan 0.000 0.443 607 V N -5.068 114.500 119.914 -0.576 0.000 2.914 607 V HA 0.456 4.583 4.120 0.012 0.000 0.314 607 V C -0.199 175.552 176.094 -0.571 0.000 1.084 607 V CA -1.291 60.624 62.300 -0.643 0.000 0.963 607 V CB 1.594 32.951 31.823 -0.777 0.000 1.025 607 V HN -0.147 nan 8.190 nan 0.000 0.432 608 F N 1.637 121.209 119.950 -0.629 0.000 2.480 608 F HA 0.536 5.070 4.527 0.012 0.000 0.319 608 F C 1.959 177.611 175.800 -0.246 0.000 1.230 608 F CA 0.658 58.416 58.000 -0.404 0.000 1.285 608 F CB 0.861 39.626 39.000 -0.393 0.000 1.208 608 F HN 0.778 nan 8.300 nan 0.000 0.579 609 A N 0.692 123.557 122.820 0.075 0.000 2.024 609 A HA -0.221 4.106 4.320 0.012 0.000 0.220 609 A C 1.550 179.094 177.584 -0.068 0.000 1.164 609 A CA 1.897 53.953 52.037 0.032 0.000 0.643 609 A CB -0.961 18.104 19.000 0.108 0.000 0.806 609 A HN 0.779 nan 8.150 nan 0.000 0.451 610 D N -3.003 117.354 120.400 -0.071 0.000 2.325 610 D HA 0.179 4.826 4.640 0.012 0.000 0.225 610 D C 0.601 176.848 176.300 -0.088 0.000 1.096 610 D CA -0.117 53.812 54.000 -0.118 0.000 0.844 610 D CB -0.060 40.669 40.800 -0.118 0.000 0.925 610 D HN 0.189 nan 8.370 nan 0.000 0.513 611 R N -1.844 118.604 120.500 -0.087 0.000 3.804 611 R HA -0.121 4.226 4.340 0.012 0.000 0.459 611 R C -0.283 175.966 176.300 -0.085 0.000 1.009 611 R CA 1.076 57.121 56.100 -0.092 0.000 1.210 611 R CB -3.240 27.053 30.300 -0.011 0.000 1.860 611 R HN 0.257 nan 8.270 nan 0.000 0.526 612 T N 2.533 117.050 114.554 -0.062 0.000 2.901 612 T HA 0.346 4.703 4.350 0.012 0.000 0.301 612 T C -2.288 172.401 174.700 -0.019 0.000 1.012 612 T CA -0.756 61.320 62.100 -0.041 0.000 1.135 612 T CB 1.034 69.833 68.868 -0.114 0.000 0.936 612 T HN -0.097 nan 8.240 nan 0.000 0.539 613 P HA 0.180 nan 4.420 nan 0.000 0.275 613 P C -0.022 177.204 177.300 -0.122 0.000 1.228 613 P CA -0.339 62.687 63.100 -0.123 0.000 0.786 613 P CB 0.461 32.131 31.700 -0.050 0.000 0.927 614 H N 2.713 121.660 119.070 -0.204 0.000 2.508 614 H HA 0.136 4.699 4.556 0.012 0.000 0.358 614 H C -1.412 173.836 175.328 -0.134 0.000 1.212 614 H CA -1.561 54.328 56.048 -0.265 0.000 1.356 614 H CB -0.001 29.542 29.762 -0.367 0.000 1.525 614 H HN 0.277 nan 8.280 nan 0.000 0.578 615 P HA -0.098 nan 4.420 nan 0.000 0.218 615 P C 1.148 178.454 177.300 0.010 0.000 1.149 615 P CA 1.629 64.733 63.100 0.006 0.000 0.817 615 P CB 0.084 31.790 31.700 0.009 0.000 0.785 616 A N -0.492 122.328 122.820 0.001 0.000 2.024 616 A HA -0.192 4.135 4.320 0.012 0.000 0.220 616 A C 2.053 179.596 177.584 -0.069 0.000 1.164 616 A CA 1.258 53.258 52.037 -0.062 0.000 0.643 616 A CB -1.584 17.337 19.000 -0.132 0.000 0.806 616 A HN 0.166 nan 8.150 nan 0.000 0.451 617 L N -0.560 120.650 121.223 -0.021 0.000 2.079 617 L HA -0.123 4.224 4.340 0.012 0.000 0.210 617 L C 2.514 179.439 176.870 0.092 0.000 1.081 617 L CA 2.745 57.608 54.840 0.039 0.000 0.752 617 L CB -1.018 41.062 42.059 0.034 0.000 0.896 617 L HN 0.379 nan 8.230 nan 0.000 0.433 618 T N -1.745 112.867 114.554 0.096 0.000 2.915 618 T HA -0.187 4.170 4.350 0.012 0.000 0.269 618 T C 1.796 176.611 174.700 0.192 0.000 1.071 618 T CA 1.395 63.609 62.100 0.189 0.000 1.132 618 T CB -0.125 68.837 68.868 0.156 0.000 0.878 618 T HN 0.472 nan 8.240 nan 0.000 0.479 619 E N 0.737 120.990 120.200 0.089 0.000 2.072 619 E HA 0.078 4.435 4.350 0.012 0.000 0.191 619 E C 2.181 178.801 176.600 0.033 0.000 0.985 619 E CA 1.317 57.771 56.400 0.090 0.000 0.801 619 E CB -0.588 29.133 29.700 0.034 0.000 0.750 619 E HN 0.541 nan 8.360 nan 0.000 0.452 620 A N 0.943 123.682 122.820 -0.134 0.000 1.898 620 A HA -0.208 4.119 4.320 0.012 0.000 0.216 620 A C 2.144 179.631 177.584 -0.161 0.000 1.181 620 A CA 1.839 53.763 52.037 -0.188 0.000 0.620 620 A CB -0.606 18.268 19.000 -0.211 0.000 0.819 620 A HN 0.252 nan 8.150 nan 0.000 0.442 621 K N -1.135 119.243 120.400 -0.037 0.000 2.044 621 K HA -0.314 4.013 4.320 0.012 0.000 0.210 621 K C 2.075 178.564 176.600 -0.184 0.000 1.049 621 K CA 2.184 58.454 56.287 -0.029 0.000 0.927 621 K CB -0.365 32.267 32.500 0.221 0.000 0.713 621 K HN 0.649 nan 8.250 nan 0.000 0.443 622 H N 0.194 119.069 119.070 -0.324 0.000 2.357 622 H HA -0.009 4.554 4.556 0.012 0.000 0.301 622 H C 1.935 176.980 175.328 -0.470 0.000 1.082 622 H CA 1.703 57.364 56.048 -0.645 0.000 1.342 622 H CB 0.108 29.518 29.762 -0.587 0.000 1.389 622 H HN 0.251 nan 8.280 nan 0.000 0.511 623 Q N 0.195 119.730 119.800 -0.442 0.000 2.230 623 Q HA -0.070 4.277 4.340 0.012 0.000 0.202 623 Q C 1.432 176.874 176.000 -0.931 0.000 0.963 623 Q CA 1.076 56.541 55.803 -0.563 0.000 0.866 623 Q CB 0.102 28.665 28.738 -0.291 0.000 0.931 623 Q HN 0.704 nan 8.270 nan 0.000 0.452 624 Q N 0.136 119.346 119.800 -0.984 0.000 2.280 624 Q HA 0.088 4.435 4.340 0.012 0.000 0.202 624 Q C -0.100 175.337 176.000 -0.938 0.000 0.903 624 Q CA -0.220 54.839 55.803 -1.239 0.000 0.948 624 Q CB 0.383 28.452 28.738 -1.115 0.000 1.058 624 Q HN 0.367 nan 8.270 nan 0.000 0.493 625 Q N -0.512 118.885 119.800 -0.672 0.000 2.428 625 Q HA -0.039 4.308 4.340 0.012 0.000 0.276 625 Q C -0.146 175.491 176.000 -0.605 0.000 1.059 625 Q CA 0.479 56.022 55.803 -0.433 0.000 0.923 625 Q CB 0.457 29.022 28.738 -0.288 0.000 1.283 625 Q HN 0.305 nan 8.270 nan 0.000 0.447 626 F N 0.173 119.886 119.950 -0.396 0.000 2.695 626 F HA 0.243 4.777 4.527 0.011 0.000 0.303 626 F C -0.291 174.925 175.800 -0.974 0.000 1.091 626 F CA -0.064 57.465 58.000 -0.784 0.000 1.300 626 F CB 0.594 38.835 39.000 -1.265 0.000 1.071 626 F HN 0.294 nan 8.300 nan 0.000 0.578 627 F N 0.456 120.314 119.950 -0.154 0.000 2.529 627 F HA 0.477 5.012 4.527 0.012 0.000 0.320 627 F C -0.107 175.339 175.800 -0.589 0.000 1.118 627 F CA -1.051 56.752 58.000 -0.328 0.000 0.915 627 F CB 1.323 40.164 39.000 -0.265 0.000 1.161 627 F HN -0.302 nan 8.300 nan 0.000 0.445 628 Q N 3.040 122.556 119.800 -0.472 0.000 2.301 628 Q HA 0.604 4.951 4.340 0.012 0.000 0.267 628 Q C -1.371 174.317 176.000 -0.520 0.000 1.035 628 Q CA -0.693 54.875 55.803 -0.393 0.000 0.856 628 Q CB 3.003 31.647 28.738 -0.156 0.000 1.337 628 Q HN 0.555 nan 8.270 nan 0.000 0.450 629 F N -0.042 120.025 119.950 0.195 0.000 2.576 629 F HA 0.594 5.128 4.527 0.012 0.000 0.313 629 F C 0.260 176.289 175.800 0.382 0.000 1.078 629 F CA -0.850 57.340 58.000 0.318 0.000 0.921 629 F CB 2.085 41.387 39.000 0.504 0.000 1.232 629 F HN 0.149 nan 8.300 nan 0.000 0.459 630 R N 1.407 122.212 120.500 0.510 0.000 2.744 630 R HA 0.755 5.102 4.340 0.012 0.000 0.279 630 R C -1.991 174.390 176.300 0.135 0.000 0.977 630 R CA -1.238 55.084 56.100 0.371 0.000 0.906 630 R CB 2.952 33.371 30.300 0.197 0.000 1.197 630 R HN 0.568 nan 8.270 nan 0.000 0.463 631 L N 0.255 121.428 121.223 -0.084 0.000 2.365 631 L HA 0.555 4.902 4.340 0.012 0.000 0.273 631 L C -1.065 175.658 176.870 -0.244 0.000 1.000 631 L CA 0.046 54.607 54.840 -0.466 0.000 0.819 631 L CB 2.322 43.641 42.059 -1.233 0.000 1.284 631 L HN 0.508 nan 8.230 nan 0.000 0.418 632 S N 3.375 118.949 115.700 -0.210 0.000 2.620 632 S HA 0.678 5.155 4.470 0.012 0.000 0.244 632 S C 0.197 174.712 174.600 -0.141 0.000 1.192 632 S CA 0.178 58.298 58.200 -0.134 0.000 1.148 632 S CB 0.256 63.413 63.200 -0.072 0.000 1.106 632 S HN 1.468 nan 8.310 nan 0.000 0.474 633 G N 4.007 112.722 108.800 -0.142 0.000 2.561 633 G HA2 -0.269 3.698 3.960 0.012 0.000 0.289 633 G HA3 -0.269 3.698 3.960 0.012 0.000 0.289 633 G C 0.400 175.199 174.900 -0.168 0.000 1.169 633 G CA 0.322 45.344 45.100 -0.131 0.000 0.980 633 G HN 0.575 nan 8.290 nan 0.000 0.550 634 Q N 1.233 120.942 119.800 -0.152 0.000 2.360 634 Q HA 0.193 4.540 4.340 0.012 0.000 0.202 634 Q C 0.802 176.678 176.000 -0.207 0.000 0.915 634 Q CA 0.940 56.632 55.803 -0.186 0.000 0.943 634 Q CB 0.286 28.930 28.738 -0.156 0.000 1.064 634 Q HN 0.535 nan 8.270 nan 0.000 0.511 635 T N 1.158 115.605 114.554 -0.179 0.000 2.767 635 T HA 0.518 4.875 4.350 0.012 0.000 0.284 635 T C 0.192 174.784 174.700 -0.181 0.000 0.973 635 T CA -0.305 61.702 62.100 -0.156 0.000 0.996 635 T CB 1.016 69.825 68.868 -0.099 0.000 0.927 635 T HN -0.031 nan 8.240 nan 0.000 0.456 636 I N 2.820 123.299 120.570 -0.151 0.000 2.336 636 I HA 0.306 4.483 4.170 0.012 0.000 0.292 636 I C 0.513 176.649 176.117 0.031 0.000 0.991 636 I CA -0.508 60.734 61.300 -0.097 0.000 1.227 636 I CB 1.273 39.239 38.000 -0.058 0.000 1.366 636 I HN 0.553 nan 8.210 nan 0.000 0.466 637 E N 6.659 126.912 120.200 0.088 0.000 2.133 637 E HA 0.434 4.791 4.350 0.012 0.000 0.274 637 E C -1.529 175.180 176.600 0.183 0.000 0.930 637 E CA -0.602 55.862 56.400 0.106 0.000 0.770 637 E CB 1.541 31.287 29.700 0.076 0.000 1.104 637 E HN 0.357 nan 8.360 nan 0.000 0.403 638 V N 4.187 124.189 119.914 0.147 0.000 2.394 638 V HA 0.306 4.433 4.120 0.012 0.000 0.282 638 V C 0.045 176.156 176.094 0.028 0.000 1.031 638 V CA -0.504 61.843 62.300 0.078 0.000 0.881 638 V CB 1.672 33.573 31.823 0.130 0.000 0.982 638 V HN 0.704 nan 8.190 nan 0.000 0.451 639 T N 3.359 117.885 114.554 -0.047 0.000 2.797 639 T HA 0.364 4.721 4.350 0.012 0.000 0.279 639 T C -0.054 174.629 174.700 -0.028 0.000 0.991 639 T CA -0.267 61.819 62.100 -0.022 0.000 0.979 639 T CB 1.557 70.397 68.868 -0.046 0.000 0.943 639 T HN 0.699 nan 8.240 nan 0.000 0.444 640 S N 1.774 117.468 115.700 -0.010 0.000 2.525 640 S HA 0.250 4.727 4.470 0.012 0.000 0.278 640 S C 0.648 175.115 174.600 -0.223 0.000 1.234 640 S CA -0.588 57.525 58.200 -0.145 0.000 1.058 640 S CB 0.664 63.865 63.200 0.000 0.000 0.983 640 S HN 0.723 nan 8.310 nan 0.000 0.495 641 E N 2.858 122.822 120.200 -0.393 0.000 2.465 641 E HA 0.115 4.472 4.350 0.012 0.000 0.195 641 E C -0.797 175.624 176.600 -0.298 0.000 1.028 641 E CA -0.135 56.082 56.400 -0.306 0.000 0.899 641 E CB 0.298 29.808 29.700 -0.318 0.000 1.032 641 E HN 0.688 nan 8.360 nan 0.000 0.468 642 Y N 0.429 120.609 120.300 -0.200 0.000 2.397 642 Y HA 0.008 4.565 4.550 0.011 0.000 0.335 642 Y C 1.429 177.172 175.900 -0.261 0.000 1.213 642 Y CA 0.020 58.002 58.100 -0.197 0.000 1.391 642 Y CB 0.799 39.126 38.460 -0.223 0.000 1.293 642 Y HN -0.014 nan 8.280 nan 0.000 0.557 643 L N 1.355 122.418 121.223 -0.266 0.000 2.408 643 L HA 0.046 4.393 4.340 0.012 0.000 0.215 643 L C 0.631 177.076 176.870 -0.708 0.000 1.081 643 L CA 0.688 55.128 54.840 -0.666 0.000 0.840 643 L CB 0.020 41.260 42.059 -1.364 0.000 1.002 643 L HN 0.664 nan 8.230 nan 0.000 0.468 644 F N -0.481 119.492 119.950 0.037 0.000 2.747 644 F HA 0.213 4.746 4.527 0.011 0.000 0.305 644 F C 1.204 176.991 175.800 -0.022 0.000 1.065 644 F CA -0.767 57.225 58.000 -0.014 0.000 1.230 644 F CB 0.384 39.352 39.000 -0.054 0.000 1.027 644 F HN -0.121 nan 8.300 nan 0.000 0.607 645 R N -0.199 120.343 120.500 0.071 0.000 2.787 645 R HA 0.519 4.866 4.340 0.012 0.000 0.271 645 R C -1.145 175.172 176.300 0.028 0.000 0.993 645 R CA -0.745 55.355 56.100 0.000 0.000 0.993 645 R CB 1.055 31.254 30.300 -0.167 0.000 1.155 645 R HN 0.019 nan 8.270 nan 0.000 0.486 646 H N 0.169 119.226 119.070 -0.022 0.000 2.508 646 H HA 0.144 4.707 4.556 0.011 0.000 0.358 646 H C -0.063 175.280 175.328 0.024 0.000 1.212 646 H CA 0.117 56.181 56.048 0.027 0.000 1.356 646 H CB 1.250 31.031 29.762 0.033 0.000 1.525 646 H HN 0.734 nan 8.280 nan 0.000 0.578 647 S N 1.427 117.091 115.700 -0.060 0.000 4.183 647 S HA 0.000 4.477 4.470 0.012 0.000 0.195 647 S C -0.080 174.592 174.600 0.119 0.000 1.421 647 S CA -0.250 58.006 58.200 0.094 0.000 0.920 647 S CB -0.816 62.458 63.200 0.123 0.000 1.525 647 S HN 0.688 nan 8.310 nan 0.000 0.447 648 D N 0.428 120.903 120.400 0.125 0.000 2.319 648 D HA 0.050 4.697 4.640 0.012 0.000 0.230 648 D C 0.348 176.685 176.300 0.061 0.000 1.094 648 D CA -0.183 53.886 54.000 0.115 0.000 0.856 648 D CB -0.289 40.575 40.800 0.107 0.000 0.915 648 D HN 0.474 nan 8.370 nan 0.000 0.517 649 N N 0.070 118.803 118.700 0.055 0.000 2.636 649 N HA 0.165 4.912 4.740 0.012 0.000 0.287 649 N C -1.587 173.950 175.510 0.045 0.000 1.817 649 N CA -0.210 52.862 53.050 0.037 0.000 0.842 649 N CB 0.282 38.781 38.487 0.020 0.000 1.353 649 N HN -0.037 nan 8.380 nan 0.000 0.500 650 E N -0.253 119.964 120.200 0.028 0.000 2.363 650 E HA 0.546 4.903 4.350 0.012 0.000 0.281 650 E C -1.518 175.062 176.600 -0.032 0.000 0.953 650 E CA -0.670 55.723 56.400 -0.012 0.000 0.778 650 E CB 1.863 31.526 29.700 -0.063 0.000 1.220 650 E HN 0.269 nan 8.360 nan 0.000 0.431 651 L N -0.405 120.779 121.223 -0.064 0.000 2.376 651 L HA 0.753 5.100 4.340 0.012 0.000 0.258 651 L C -1.443 175.383 176.870 -0.073 0.000 1.013 651 L CA -1.145 53.671 54.840 -0.039 0.000 0.822 651 L CB 0.958 43.027 42.059 0.017 0.000 1.388 651 L HN 0.448 nan 8.230 nan 0.000 0.413 652 L N 1.683 122.931 121.223 0.042 0.000 2.282 652 L HA 0.619 4.966 4.340 0.012 0.000 0.288 652 L C -0.789 176.237 176.870 0.260 0.000 1.033 652 L CA 0.222 55.130 54.840 0.114 0.000 0.807 652 L CB 0.477 42.652 42.059 0.194 0.000 1.209 652 L HN 0.550 nan 8.230 nan 0.000 0.423 653 H N 4.688 123.836 119.070 0.129 0.000 2.472 653 H HA 0.557 5.120 4.556 0.012 0.000 0.338 653 H C -1.001 174.425 175.328 0.162 0.000 1.133 653 H CA -0.665 55.422 56.048 0.064 0.000 1.216 653 H CB 1.159 30.920 29.762 -0.002 0.000 1.497 653 H HN 0.654 nan 8.280 nan 0.000 0.500 654 W N 3.010 124.402 121.300 0.154 0.000 3.032 654 W HA 0.588 5.255 4.660 0.012 0.000 0.335 654 W C -1.654 174.907 176.519 0.070 0.000 1.154 654 W CA -1.307 56.104 57.345 0.110 0.000 1.204 654 W CB 1.496 31.012 29.460 0.093 0.000 1.416 654 W HN 0.587 nan 8.180 nan 0.000 0.521 655 M N 3.255 123.062 119.600 0.346 0.000 2.371 655 M HA 0.595 5.082 4.480 0.012 0.000 0.287 655 M C -2.537 173.970 176.300 0.344 0.000 1.149 655 M CA -0.354 55.042 55.300 0.159 0.000 0.929 655 M CB 2.176 34.798 32.600 0.037 0.000 1.683 655 M HN 0.183 nan 8.290 nan 0.000 0.470 656 V N 3.990 124.100 119.914 0.326 0.000 2.459 656 V HA 1.008 5.135 4.120 0.012 0.000 0.295 656 V C -0.297 175.910 176.094 0.187 0.000 1.029 656 V CA -0.160 62.314 62.300 0.290 0.000 0.874 656 V CB 1.191 33.195 31.823 0.301 0.000 0.985 656 V HN 1.055 nan 8.190 nan 0.000 0.438 657 A N 4.517 127.455 122.820 0.197 0.000 2.498 657 A HA 0.909 5.236 4.320 0.012 0.000 0.298 657 A C -1.508 176.189 177.584 0.188 0.000 1.075 657 A CA -0.633 51.488 52.037 0.140 0.000 0.714 657 A CB 1.779 20.823 19.000 0.074 0.000 1.299 657 A HN 0.834 nan 8.150 nan 0.000 0.407 658 L N 1.314 122.618 121.223 0.134 0.000 2.294 658 L HA 0.559 4.906 4.340 0.012 0.000 0.283 658 L C -0.672 176.292 176.870 0.157 0.000 1.015 658 L CA 0.208 55.140 54.840 0.154 0.000 0.831 658 L CB 0.464 42.581 42.059 0.096 0.000 1.217 658 L HN 0.755 nan 8.230 nan 0.000 0.420 659 D N 4.711 125.272 120.400 0.269 0.000 2.686 659 D HA -0.200 4.447 4.640 0.012 0.000 0.235 659 D C 1.145 177.488 176.300 0.071 0.000 1.160 659 D CA 1.543 55.694 54.000 0.251 0.000 0.645 659 D CB -1.097 39.813 40.800 0.182 0.000 1.039 659 D HN 1.188 nan 8.370 nan 0.000 0.423 660 G N -0.819 107.983 108.800 0.003 0.000 2.258 660 G HA2 -0.338 3.629 3.960 0.012 0.000 0.233 660 G HA3 -0.338 3.629 3.960 0.012 0.000 0.233 660 G C 0.151 174.969 174.900 -0.136 0.000 1.006 660 G CA 0.295 45.288 45.100 -0.178 0.000 0.620 660 G HN 0.511 nan 8.290 nan 0.000 0.511 661 K N 2.103 122.472 120.400 -0.051 0.000 2.253 661 K HA 0.518 4.845 4.320 0.012 0.000 0.277 661 K C -2.857 173.732 176.600 -0.020 0.000 1.053 661 K CA -1.973 54.287 56.287 -0.045 0.000 0.892 661 K CB 1.917 34.405 32.500 -0.019 0.000 1.102 661 K HN 0.072 nan 8.250 nan 0.000 0.469 662 P HA 0.004 nan 4.420 nan 0.000 0.267 662 P C -0.001 177.295 177.300 -0.006 0.000 1.205 662 P CA 0.060 63.143 63.100 -0.029 0.000 0.765 662 P CB 0.668 32.327 31.700 -0.068 0.000 0.828 663 L N 1.323 122.562 121.223 0.027 0.000 2.547 663 L HA 0.459 4.806 4.340 0.012 0.000 0.218 663 L C 0.885 177.782 176.870 0.044 0.000 1.048 663 L CA 0.349 55.213 54.840 0.040 0.000 0.859 663 L CB 0.146 42.248 42.059 0.071 0.000 1.128 663 L HN 0.368 nan 8.230 nan 0.000 0.483 664 A N -0.126 122.733 122.820 0.065 0.000 2.589 664 A HA 0.708 5.035 4.320 0.012 0.000 0.296 664 A C -0.874 176.615 177.584 -0.158 0.000 1.062 664 A CA -0.177 51.897 52.037 0.061 0.000 0.686 664 A CB 1.697 20.864 19.000 0.277 0.000 1.282 664 A HN 0.089 nan 8.150 nan 0.000 0.404 665 S N -0.382 114.956 115.700 -0.603 0.000 2.587 665 S HA 0.953 5.430 4.470 0.012 0.000 0.269 665 S C -0.241 173.417 174.600 -1.569 0.000 1.154 665 S CA -0.181 57.205 58.200 -1.355 0.000 0.824 665 S CB 1.133 63.926 63.200 -0.679 0.000 1.118 665 S HN 2.506 nan 8.310 nan 0.000 0.462 666 G N -0.029 107.532 108.800 -2.066 0.000 2.554 666 G HA2 0.682 4.649 3.960 0.012 0.000 0.306 666 G HA3 0.682 4.649 3.960 0.012 0.000 0.306 666 G C -2.347 172.184 174.900 -0.615 0.000 1.320 666 G CA -0.898 43.616 45.100 -0.977 0.000 0.800 666 G HN 0.867 nan 8.290 nan 0.000 0.481 667 E N -1.254 118.912 120.200 -0.057 0.000 2.340 667 E HA 0.654 5.011 4.350 0.012 0.000 0.273 667 E C -1.610 175.142 176.600 0.254 0.000 0.891 667 E CA -0.984 55.522 56.400 0.177 0.000 0.757 667 E CB 3.187 32.995 29.700 0.179 0.000 1.231 667 E HN 0.348 nan 8.360 nan 0.000 0.439 668 V N 1.767 121.840 119.914 0.265 0.000 2.808 668 V HA 0.389 4.516 4.120 0.012 0.000 0.308 668 V C -2.491 173.689 176.094 0.143 0.000 1.099 668 V CA -1.970 60.449 62.300 0.198 0.000 0.920 668 V CB 2.160 34.110 31.823 0.211 0.000 1.014 668 V HN 0.614 nan 8.190 nan 0.000 0.425 669 P HA 0.327 nan 4.420 nan 0.000 0.271 669 P C -0.919 176.424 177.300 0.072 0.000 1.218 669 P CA -0.125 63.024 63.100 0.082 0.000 0.780 669 P CB 0.858 32.605 31.700 0.077 0.000 0.901 670 L N 2.769 124.018 121.223 0.043 0.000 2.295 670 L HA 0.378 4.725 4.340 0.012 0.000 0.285 670 L C 0.529 177.424 176.870 0.042 0.000 1.035 670 L CA 0.058 54.909 54.840 0.020 0.000 0.806 670 L CB 1.136 43.152 42.059 -0.071 0.000 1.214 670 L HN 0.319 nan 8.230 nan 0.000 0.426 671 D N 3.627 124.060 120.400 0.054 0.000 2.468 671 D HA 0.283 4.930 4.640 0.012 0.000 0.272 671 D C -1.412 174.853 176.300 -0.059 0.000 1.221 671 D CA -0.083 53.985 54.000 0.113 0.000 0.860 671 D CB 1.436 42.376 40.800 0.233 0.000 1.190 671 D HN 0.092 nan 8.370 nan 0.000 0.509 672 V N 1.372 121.083 119.914 -0.339 0.000 2.495 672 V HA 0.682 4.809 4.120 0.012 0.000 0.298 672 V C 0.760 176.533 176.094 -0.534 0.000 1.031 672 V CA -1.022 61.139 62.300 -0.232 0.000 0.871 672 V CB 1.422 33.256 31.823 0.018 0.000 0.988 672 V HN 0.475 nan 8.190 nan 0.000 0.432 673 A N 6.644 129.340 122.820 -0.207 0.000 2.313 673 A HA 0.705 5.032 4.320 0.012 0.000 0.261 673 A C -2.296 175.299 177.584 0.019 0.000 1.090 673 A CA -1.434 50.621 52.037 0.029 0.000 0.807 673 A CB -0.147 18.956 19.000 0.172 0.000 1.055 673 A HN 0.675 nan 8.150 nan 0.000 0.492 674 P HA 0.036 nan 4.420 nan 0.000 0.264 674 P C -0.527 176.769 177.300 -0.008 0.000 1.193 674 P CA 0.487 63.602 63.100 0.026 0.000 0.763 674 P CB 0.633 32.338 31.700 0.009 0.000 0.810 675 Q N -1.036 118.741 119.800 -0.039 0.000 2.348 675 Q HA -0.180 4.167 4.340 0.012 0.000 0.221 675 Q C 0.760 176.748 176.000 -0.020 0.000 0.735 675 Q CA 1.779 57.553 55.803 -0.049 0.000 1.351 675 Q CB -2.501 26.205 28.738 -0.054 0.000 1.640 675 Q HN 0.774 nan 8.270 nan 0.000 0.667 676 G N 0.096 108.897 108.800 0.002 0.000 2.537 676 G HA2 0.579 4.546 3.960 0.012 0.000 0.297 676 G HA3 0.579 4.546 3.960 0.012 0.000 0.297 676 G C -0.341 174.572 174.900 0.022 0.000 1.310 676 G CA -0.520 44.592 45.100 0.019 0.000 1.027 676 G HN -0.001 nan 8.290 nan 0.000 0.505 677 K N -0.952 119.466 120.400 0.031 0.000 2.443 677 K HA 0.498 4.825 4.320 0.012 0.000 0.251 677 K C -1.026 175.602 176.600 0.047 0.000 0.972 677 K CA -0.598 55.712 56.287 0.038 0.000 0.833 677 K CB 2.552 35.070 32.500 0.031 0.000 1.317 677 K HN 0.516 nan 8.250 nan 0.000 0.441 678 Q N 2.519 122.352 119.800 0.056 0.000 2.289 678 Q HA 0.406 4.753 4.340 0.012 0.000 0.270 678 Q C -1.695 174.340 176.000 0.058 0.000 1.038 678 Q CA -0.649 55.189 55.803 0.058 0.000 0.812 678 Q CB 1.402 30.178 28.738 0.064 0.000 1.300 678 Q HN 0.499 nan 8.270 nan 0.000 0.427 679 L N 4.817 126.066 121.223 0.043 0.000 2.295 679 L HA 0.589 4.936 4.340 0.012 0.000 0.285 679 L C -0.465 176.417 176.870 0.021 0.000 1.035 679 L CA -0.684 54.173 54.840 0.028 0.000 0.806 679 L CB 1.322 43.388 42.059 0.012 0.000 1.214 679 L HN 0.588 nan 8.230 nan 0.000 0.426 680 I N 2.528 123.102 120.570 0.006 0.000 2.466 680 I HA 0.261 4.438 4.170 0.012 0.000 0.289 680 I C -0.697 175.377 176.117 -0.072 0.000 1.026 680 I CA -0.579 60.714 61.300 -0.012 0.000 1.078 680 I CB 2.293 40.303 38.000 0.017 0.000 1.249 680 I HN 0.557 nan 8.210 nan 0.000 0.429 681 E N 6.365 126.517 120.200 -0.079 0.000 2.134 681 E HA 0.481 4.838 4.350 0.012 0.000 0.278 681 E C -0.800 175.693 176.600 -0.177 0.000 0.959 681 E CA -0.410 55.917 56.400 -0.121 0.000 0.783 681 E CB 1.546 31.197 29.700 -0.082 0.000 1.095 681 E HN 0.401 nan 8.360 nan 0.000 0.399 682 L N 4.703 125.756 121.223 -0.282 0.000 2.418 682 L HA 0.363 4.710 4.340 0.012 0.000 0.265 682 L C -1.751 174.951 176.870 -0.282 0.000 1.143 682 L CA -2.010 52.566 54.840 -0.441 0.000 0.809 682 L CB 0.240 41.910 42.059 -0.649 0.000 1.124 682 L HN 0.352 nan 8.230 nan 0.000 0.456 683 P HA -0.066 nan 4.420 nan 0.000 0.272 683 P C -0.556 176.695 177.300 -0.082 0.000 1.243 683 P CA -0.277 62.771 63.100 -0.086 0.000 0.803 683 P CB 0.326 32.044 31.700 0.031 0.000 0.974 684 E N 0.687 120.870 120.200 -0.029 0.000 2.384 684 E HA 0.089 4.446 4.350 0.012 0.000 0.266 684 E C -1.006 175.594 176.600 -0.000 0.000 1.012 684 E CA -0.191 56.197 56.400 -0.021 0.000 0.901 684 E CB 0.224 29.922 29.700 -0.004 0.000 0.967 684 E HN 0.133 nan 8.360 nan 0.000 0.435 685 L N 5.735 126.954 121.223 -0.006 0.000 2.334 685 L HA 0.461 4.808 4.340 0.012 0.000 0.270 685 L C -2.179 174.707 176.870 0.028 0.000 1.018 685 L CA -2.620 52.235 54.840 0.025 0.000 0.811 685 L CB 1.132 43.205 42.059 0.024 0.000 1.271 685 L HN 0.541 nan 8.230 nan 0.000 0.443 686 P HA 0.149 nan 4.420 nan 0.000 0.276 686 P C -0.919 176.399 177.300 0.029 0.000 1.264 686 P CA -0.621 62.500 63.100 0.035 0.000 0.769 686 P CB 0.587 32.313 31.700 0.043 0.000 0.840 687 Q N 4.962 124.773 119.800 0.018 0.000 2.271 687 Q HA 0.196 4.543 4.340 0.012 0.000 0.273 687 Q C -1.571 174.440 176.000 0.018 0.000 1.051 687 Q CA -1.033 54.778 55.803 0.014 0.000 0.901 687 Q CB -0.781 27.960 28.738 0.005 0.000 1.174 687 Q HN 0.445 nan 8.270 nan 0.000 0.385 688 P HA -0.108 nan 4.420 nan 0.000 0.266 688 P C -0.277 177.036 177.300 0.022 0.000 1.186 688 P CA 0.215 63.330 63.100 0.026 0.000 0.767 688 P CB 0.988 32.705 31.700 0.029 0.000 0.820 689 E N 0.861 121.075 120.200 0.023 0.000 2.001 689 E HA -0.057 4.300 4.350 0.012 0.000 0.193 689 E C 0.646 177.259 176.600 0.022 0.000 0.994 689 E CA 1.113 57.525 56.400 0.020 0.000 0.815 689 E CB -0.173 29.539 29.700 0.020 0.000 0.770 689 E HN 0.589 nan 8.360 nan 0.000 0.453 690 S N 0.448 116.164 115.700 0.026 0.000 2.707 690 S HA 0.574 5.051 4.470 0.012 0.000 0.276 690 S C 0.027 174.646 174.600 0.033 0.000 1.179 690 S CA -0.794 57.424 58.200 0.030 0.000 0.992 690 S CB 1.471 64.691 63.200 0.033 0.000 1.030 690 S HN 0.338 nan 8.310 nan 0.000 0.554 691 A N 0.038 122.879 122.820 0.035 0.000 2.346 691 A HA 0.738 5.065 4.320 0.012 0.000 0.252 691 A C 0.867 178.480 177.584 0.049 0.000 1.089 691 A CA 0.302 52.361 52.037 0.037 0.000 0.797 691 A CB -0.685 18.340 19.000 0.041 0.000 1.047 691 A HN 1.963 nan 8.150 nan 0.000 0.494 692 G N -0.971 107.857 108.800 0.047 0.000 2.359 692 G HA2 0.426 4.393 3.960 0.012 0.000 0.303 692 G HA3 0.426 4.393 3.960 0.012 0.000 0.303 692 G C -1.041 173.882 174.900 0.038 0.000 1.293 692 G CA -0.133 45.006 45.100 0.066 0.000 0.964 692 G HN 1.177 nan 8.290 nan 0.000 0.531 693 Q N -0.224 119.609 119.800 0.054 0.000 2.278 693 Q HA 0.717 5.064 4.340 0.012 0.000 0.257 693 Q C -0.210 175.802 176.000 0.020 0.000 0.928 693 Q CA -0.521 55.256 55.803 -0.044 0.000 0.932 693 Q CB 1.179 29.835 28.738 -0.136 0.000 1.221 693 Q HN 0.574 nan 8.270 nan 0.000 0.434 694 L N 4.436 125.627 121.223 -0.053 0.000 2.349 694 L HA 0.426 4.773 4.340 0.012 0.000 0.275 694 L C -0.782 176.078 176.870 -0.017 0.000 1.115 694 L CA -0.280 54.585 54.840 0.041 0.000 0.820 694 L CB 0.637 42.705 42.059 0.016 0.000 1.135 694 L HN 0.691 nan 8.230 nan 0.000 0.445 695 W N 4.181 125.529 121.300 0.078 0.000 2.785 695 W HA 0.501 5.168 4.660 0.011 0.000 0.333 695 W C -0.812 175.805 176.519 0.163 0.000 1.062 695 W CA -0.557 56.857 57.345 0.114 0.000 1.233 695 W CB 1.719 31.259 29.460 0.132 0.000 1.413 695 W HN 0.124 nan 8.180 nan 0.000 0.489 696 L N 3.353 124.852 121.223 0.459 0.000 2.282 696 L HA 0.751 5.098 4.340 0.012 0.000 0.288 696 L C -0.330 176.843 176.870 0.505 0.000 1.033 696 L CA 0.237 55.335 54.840 0.431 0.000 0.807 696 L CB 1.152 43.426 42.059 0.358 0.000 1.209 696 L HN 0.326 nan 8.230 nan 0.000 0.423 697 T N 5.068 119.863 114.554 0.402 0.000 2.841 697 T HA 0.684 5.041 4.350 0.012 0.000 0.283 697 T C -0.694 174.199 174.700 0.321 0.000 1.000 697 T CA -0.432 61.862 62.100 0.323 0.000 0.977 697 T CB 1.615 70.606 68.868 0.203 0.000 0.979 697 T HN 0.621 nan 8.240 nan 0.000 0.446 698 V N 1.485 121.557 119.914 0.264 0.000 2.864 698 V HA 0.924 5.051 4.120 0.012 0.000 0.314 698 V C -1.087 175.090 176.094 0.138 0.000 1.073 698 V CA -1.309 61.117 62.300 0.210 0.000 0.956 698 V CB 1.935 33.847 31.823 0.147 0.000 1.023 698 V HN 0.888 nan 8.190 nan 0.000 0.435 699 R N 2.094 122.694 120.500 0.167 0.000 2.698 699 R HA 0.789 5.136 4.340 0.012 0.000 0.275 699 R C -1.646 174.733 176.300 0.132 0.000 1.001 699 R CA -0.743 55.472 56.100 0.192 0.000 0.896 699 R CB 2.435 32.827 30.300 0.154 0.000 1.218 699 R HN 0.598 nan 8.270 nan 0.000 0.462 700 V N 2.792 122.810 119.914 0.174 0.000 2.407 700 V HA 0.397 4.524 4.120 0.012 0.000 0.278 700 V C -0.390 175.709 176.094 0.008 0.000 1.037 700 V CA -0.601 61.734 62.300 0.058 0.000 0.900 700 V CB 1.647 33.513 31.823 0.072 0.000 0.983 700 V HN 0.476 nan 8.190 nan 0.000 0.459 701 V N 5.288 125.124 119.914 -0.130 0.000 2.555 701 V HA 0.409 4.536 4.120 0.012 0.000 0.302 701 V C -0.235 175.826 176.094 -0.055 0.000 1.038 701 V CA -0.734 61.485 62.300 -0.135 0.000 0.887 701 V CB 1.942 33.534 31.823 -0.385 0.000 0.991 701 V HN 0.883 nan 8.190 nan 0.000 0.434 702 Q N 5.810 125.630 119.800 0.033 0.000 2.360 702 Q HA 0.280 4.627 4.340 0.012 0.000 0.254 702 Q C -1.714 174.294 176.000 0.013 0.000 0.975 702 Q CA -1.795 54.035 55.803 0.044 0.000 0.912 702 Q CB 2.002 30.795 28.738 0.092 0.000 1.212 702 Q HN 0.475 nan 8.270 nan 0.000 0.452 703 P HA -0.161 nan 4.420 nan 0.000 0.219 703 P C -0.527 176.770 177.300 -0.005 0.000 1.150 703 P CA 1.127 64.231 63.100 0.006 0.000 0.814 703 P CB 0.365 32.074 31.700 0.014 0.000 0.787 704 N N -0.523 118.164 118.700 -0.022 0.000 2.443 704 N HA 0.439 5.186 4.740 0.012 0.000 0.295 704 N C -0.255 175.203 175.510 -0.087 0.000 1.076 704 N CA -0.668 52.356 53.050 -0.043 0.000 0.919 704 N CB 1.055 39.518 38.487 -0.040 0.000 1.176 704 N HN -0.041 nan 8.380 nan 0.000 0.487 705 A N 0.847 123.610 122.820 -0.094 0.000 2.406 705 A HA 0.465 4.792 4.320 0.012 0.000 0.243 705 A C 0.602 178.061 177.584 -0.208 0.000 1.082 705 A CA -0.046 51.901 52.037 -0.149 0.000 0.786 705 A CB 0.068 19.007 19.000 -0.102 0.000 1.029 705 A HN 0.707 nan 8.150 nan 0.000 0.495 706 T N -3.182 111.168 114.554 -0.340 0.000 2.724 706 T HA 0.632 4.989 4.350 0.012 0.000 0.274 706 T C 0.878 175.402 174.700 -0.293 0.000 0.984 706 T CA 0.064 61.929 62.100 -0.391 0.000 1.024 706 T CB 1.101 69.463 68.868 -0.842 0.000 1.320 706 T HN 1.330 nan 8.240 nan 0.000 0.555 707 A N -0.221 122.494 122.820 -0.176 0.000 2.119 707 A HA 0.169 4.496 4.320 0.012 0.000 0.216 707 A C 1.537 179.211 177.584 0.151 0.000 1.152 707 A CA 0.667 52.708 52.037 0.007 0.000 0.708 707 A CB -0.790 18.233 19.000 0.039 0.000 0.805 707 A HN 0.894 nan 8.150 nan 0.000 0.460 708 W N -0.547 120.815 121.300 0.103 0.000 2.702 708 W HA 0.431 5.099 4.660 0.012 0.000 0.369 708 W C -0.278 176.225 176.519 -0.027 0.000 0.987 708 W CA 0.414 57.815 57.345 0.094 0.000 1.702 708 W CB -1.065 28.451 29.460 0.093 0.000 1.138 708 W HN 0.377 nan 8.180 nan 0.000 0.552 709 S N -0.372 114.969 115.700 -0.598 0.000 2.570 709 S HA 0.445 4.922 4.470 0.012 0.000 0.270 709 S C -1.114 173.280 174.600 -0.343 0.000 1.149 709 S CA -0.760 57.113 58.200 -0.545 0.000 0.837 709 S CB 2.806 65.317 63.200 -1.148 0.000 1.124 709 S HN 0.106 nan 8.310 nan 0.000 0.465 710 E N 0.392 120.496 120.200 -0.160 0.000 2.318 710 E HA 0.610 4.967 4.350 0.012 0.000 0.265 710 E C 0.247 176.820 176.600 -0.045 0.000 1.069 710 E CA -0.795 55.564 56.400 -0.070 0.000 0.893 710 E CB 1.313 31.016 29.700 0.004 0.000 1.076 710 E HN 0.872 nan 8.360 nan 0.000 0.414 711 A N 0.774 123.574 122.820 -0.033 0.000 2.531 711 A HA 0.371 4.698 4.320 0.012 0.000 0.236 711 A C 1.106 178.707 177.584 0.028 0.000 1.062 711 A CA 0.818 52.848 52.037 -0.013 0.000 0.760 711 A CB -0.417 18.576 19.000 -0.011 0.000 0.995 711 A HN 0.826 nan 8.150 nan 0.000 0.501 712 G N 0.434 109.258 108.800 0.040 0.000 2.176 712 G HA2 -0.258 3.709 3.960 0.012 0.000 0.253 712 G HA3 -0.258 3.709 3.960 0.012 0.000 0.253 712 G C 0.270 175.217 174.900 0.078 0.000 0.979 712 G CA 0.747 45.878 45.100 0.052 0.000 0.641 712 G HN 1.818 nan 8.290 nan 0.000 0.530 713 H N 0.737 119.812 119.070 0.008 0.000 3.094 713 H HA 0.394 4.956 4.556 0.012 0.000 0.320 713 H C 0.777 176.164 175.328 0.100 0.000 1.000 713 H CA 0.496 56.576 56.048 0.053 0.000 1.413 713 H CB 0.140 29.917 29.762 0.025 0.000 1.405 713 H HN 0.330 nan 8.280 nan 0.000 0.586 714 I N 4.553 124.872 120.570 -0.419 0.000 2.331 714 I HA 0.046 4.223 4.170 0.012 0.000 0.292 714 I C 0.890 176.843 176.117 -0.274 0.000 0.998 714 I CA 0.077 61.254 61.300 -0.206 0.000 1.267 714 I CB 1.573 39.529 38.000 -0.074 0.000 1.386 714 I HN 0.792 nan 8.210 nan 0.000 0.476 715 S N 3.933 119.689 115.700 0.093 0.000 2.505 715 S HA 0.575 5.052 4.470 0.012 0.000 0.216 715 S C 0.401 175.249 174.600 0.413 0.000 1.018 715 S CA -0.091 58.300 58.200 0.318 0.000 0.911 715 S CB 0.650 64.160 63.200 0.517 0.000 0.818 715 S HN 0.713 nan 8.310 nan 0.000 0.497 716 A N 0.561 123.659 122.820 0.463 0.000 2.608 716 A HA 0.690 5.017 4.320 0.012 0.000 0.292 716 A C -1.835 176.105 177.584 0.594 0.000 1.066 716 A CA -0.895 51.397 52.037 0.425 0.000 0.676 716 A CB 0.478 19.790 19.000 0.521 0.000 1.277 716 A HN 0.918 nan 8.150 nan 0.000 0.413 717 W N -0.234 121.247 121.300 0.301 0.000 3.005 717 W HA 0.799 5.467 4.660 0.013 0.000 0.343 717 W C -1.224 175.331 176.519 0.061 0.000 1.243 717 W CA -0.580 56.822 57.345 0.095 0.000 1.186 717 W CB 1.116 30.600 29.460 0.039 0.000 1.453 717 W HN 1.039 nan 8.180 nan 0.000 0.575 718 Q N 0.979 120.813 119.800 0.057 0.000 2.578 718 Q HA 0.451 4.798 4.340 0.012 0.000 0.284 718 Q C -1.685 174.146 176.000 -0.282 0.000 0.960 718 Q CA -0.473 55.210 55.803 -0.199 0.000 0.809 718 Q CB 2.377 30.799 28.738 -0.525 0.000 1.462 718 Q HN 0.614 nan 8.270 nan 0.000 0.392 719 Q N 1.182 120.761 119.800 -0.370 0.000 2.423 719 Q HA 0.620 4.967 4.340 0.012 0.000 0.278 719 Q C -1.230 174.634 176.000 -0.228 0.000 1.097 719 Q CA -0.694 55.072 55.803 -0.060 0.000 0.809 719 Q CB 2.358 31.241 28.738 0.243 0.000 1.391 719 Q HN 0.614 nan 8.270 nan 0.000 0.428 720 W N 0.989 122.458 121.300 0.281 0.000 3.127 720 W HA 0.441 5.108 4.660 0.011 0.000 0.330 720 W C -0.392 176.102 176.519 -0.042 0.000 1.187 720 W CA -0.676 56.746 57.345 0.129 0.000 1.198 720 W CB 1.686 31.177 29.460 0.051 0.000 1.408 720 W HN 0.422 nan 8.180 nan 0.000 0.529 721 R N 1.876 122.286 120.500 -0.150 0.000 2.389 721 R HA 0.370 4.717 4.340 0.012 0.000 0.295 721 R C 0.545 176.711 176.300 -0.224 0.000 1.075 721 R CA -0.027 55.702 56.100 -0.617 0.000 1.005 721 R CB 0.940 30.821 30.300 -0.698 0.000 0.987 721 R HN 0.295 nan 8.270 nan 0.000 0.452 722 L N 1.438 122.537 121.223 -0.207 0.000 2.719 722 L HA 0.509 4.856 4.340 0.012 0.000 0.182 722 L C 0.703 177.492 176.870 -0.135 0.000 1.940 722 L CA -0.957 53.815 54.840 -0.113 0.000 2.839 722 L CB -0.126 41.900 42.059 -0.054 0.000 2.949 722 L HN 0.596 nan 8.230 nan 0.000 0.669 723 A N 0.264 123.030 122.820 -0.091 0.000 2.425 723 A HA 0.227 4.554 4.320 0.012 0.000 0.242 723 A C -0.318 177.209 177.584 -0.095 0.000 1.077 723 A CA 0.161 52.148 52.037 -0.083 0.000 0.781 723 A CB 0.234 19.203 19.000 -0.051 0.000 1.020 723 A HN 0.610 nan 8.150 nan 0.000 0.494 724 E N 0.894 121.045 120.200 -0.083 0.000 2.234 724 E HA 0.307 4.664 4.350 0.012 0.000 0.266 724 E C -1.472 175.107 176.600 -0.036 0.000 0.877 724 E CA -0.689 55.667 56.400 -0.074 0.000 0.758 724 E CB 0.930 30.573 29.700 -0.094 0.000 1.170 724 E HN 0.672 nan 8.360 nan 0.000 0.415 725 N N 5.114 123.805 118.700 -0.015 0.000 2.564 725 N HA 0.266 5.013 4.740 0.012 0.000 0.248 725 N C -0.567 174.948 175.510 0.009 0.000 0.986 725 N CA -0.324 52.725 53.050 -0.002 0.000 0.921 725 N CB 1.117 39.607 38.487 0.005 0.000 1.136 725 N HN 0.486 nan 8.380 nan 0.000 0.509 726 L N 0.773 122.000 121.223 0.008 0.000 2.456 726 L HA 0.090 4.437 4.340 0.012 0.000 0.272 726 L C 1.331 178.217 176.870 0.026 0.000 1.189 726 L CA 0.155 55.007 54.840 0.019 0.000 0.846 726 L CB 0.456 42.526 42.059 0.018 0.000 1.111 726 L HN 0.346 nan 8.230 nan 0.000 0.475 727 S N 1.518 117.239 115.700 0.036 0.000 2.505 727 S HA 0.252 4.729 4.470 0.012 0.000 0.276 727 S C 0.544 175.164 174.600 0.034 0.000 1.274 727 S CA -0.779 57.444 58.200 0.037 0.000 1.053 727 S CB 0.826 64.054 63.200 0.047 0.000 0.919 727 S HN 0.466 nan 8.310 nan 0.000 0.490 728 V N 2.123 122.054 119.914 0.029 0.000 3.346 728 V HA 0.344 4.471 4.120 0.012 0.000 0.309 728 V C 0.474 176.584 176.094 0.026 0.000 1.457 728 V CA -0.022 62.294 62.300 0.026 0.000 1.069 728 V CB -0.556 31.279 31.823 0.021 0.000 0.944 728 V HN 0.837 nan 8.190 nan 0.000 0.449 729 T N 0.933 115.504 114.554 0.029 0.000 2.749 729 T HA 0.696 5.053 4.350 0.012 0.000 0.295 729 T C -0.208 174.510 174.700 0.031 0.000 0.936 729 T CA -0.356 61.761 62.100 0.028 0.000 1.060 729 T CB 1.211 70.097 68.868 0.029 0.000 0.904 729 T HN 0.267 nan 8.240 nan 0.000 0.500 730 L N 4.805 126.044 121.223 0.027 0.000 2.453 730 L HA 0.340 4.687 4.340 0.012 0.000 0.272 730 L C -1.477 175.410 176.870 0.028 0.000 1.182 730 L CA -1.551 53.305 54.840 0.026 0.000 0.858 730 L CB -0.461 41.609 42.059 0.019 0.000 1.120 730 L HN 0.528 nan 8.230 nan 0.000 0.474 731 P HA 0.261 nan 4.420 nan 0.000 0.275 731 P C -0.528 176.785 177.300 0.022 0.000 1.228 731 P CA -0.555 62.563 63.100 0.032 0.000 0.786 731 P CB 0.804 32.525 31.700 0.035 0.000 0.927 732 A N 2.181 125.018 122.820 0.028 0.000 2.492 732 A HA 0.416 4.743 4.320 0.012 0.000 0.236 732 A C 0.580 178.148 177.584 -0.027 0.000 1.078 732 A CA 0.161 52.211 52.037 0.022 0.000 0.773 732 A CB -0.463 18.574 19.000 0.062 0.000 1.023 732 A HN 0.682 nan 8.150 nan 0.000 0.504 733 A N 1.481 124.268 122.820 -0.056 0.000 2.388 733 A HA 0.535 4.862 4.320 0.012 0.000 0.257 733 A C 0.814 178.169 177.584 -0.382 0.000 1.095 733 A CA 0.253 52.206 52.037 -0.140 0.000 0.791 733 A CB -0.236 18.703 19.000 -0.101 0.000 1.029 733 A HN 1.814 nan 8.150 nan 0.000 0.489 734 S N 1.181 116.650 115.700 -0.386 0.000 2.586 734 S HA 0.366 4.843 4.470 0.012 0.000 0.274 734 S C -0.170 174.052 174.600 -0.630 0.000 1.281 734 S CA -0.487 57.358 58.200 -0.592 0.000 1.035 734 S CB 0.279 63.368 63.200 -0.186 0.000 0.962 734 S HN 0.672 nan 8.310 nan 0.000 0.512 735 H N 0.956 120.043 119.070 0.028 0.000 2.770 735 H HA 0.677 5.240 4.556 0.012 0.000 0.315 735 H C 0.323 175.672 175.328 0.033 0.000 1.127 735 H CA 0.354 56.418 56.048 0.027 0.000 1.155 735 H CB -0.583 29.193 29.762 0.023 0.000 1.397 735 H HN 0.901 nan 8.280 nan 0.000 0.538 736 A N 1.188 124.030 122.820 0.037 0.000 2.583 736 A HA 0.484 4.811 4.320 0.012 0.000 0.292 736 A C -1.791 175.823 177.584 0.051 0.000 1.045 736 A CA -0.787 51.291 52.037 0.068 0.000 0.672 736 A CB 1.372 20.431 19.000 0.098 0.000 1.283 736 A HN 0.218 nan 8.150 nan 0.000 0.419 737 I N 1.069 121.691 120.570 0.087 0.000 2.533 737 I HA 0.722 4.899 4.170 0.012 0.000 0.290 737 I C -3.055 173.152 176.117 0.151 0.000 1.056 737 I CA -2.478 58.868 61.300 0.076 0.000 1.057 737 I CB 1.791 39.808 38.000 0.029 0.000 1.240 737 I HN 0.329 nan 8.210 nan 0.000 0.423 738 P HA 0.318 nan 4.420 nan 0.000 0.275 738 P C -1.063 176.362 177.300 0.208 0.000 1.228 738 P CA 0.179 63.375 63.100 0.159 0.000 0.786 738 P CB 0.377 32.099 31.700 0.036 0.000 0.927 739 H N 0.860 119.956 119.070 0.044 0.000 2.472 739 H HA 0.405 4.968 4.556 0.012 0.000 0.338 739 H C -0.593 174.759 175.328 0.040 0.000 1.133 739 H CA -0.845 55.221 56.048 0.030 0.000 1.216 739 H CB 1.863 31.648 29.762 0.038 0.000 1.497 739 H HN 0.264 nan 8.280 nan 0.000 0.500 740 L N 2.091 123.352 121.223 0.063 0.000 2.317 740 L HA 0.365 4.712 4.340 0.012 0.000 0.281 740 L C -0.519 176.404 176.870 0.088 0.000 1.024 740 L CA -0.039 54.837 54.840 0.061 0.000 0.810 740 L CB 1.828 43.867 42.059 -0.034 0.000 1.240 740 L HN 0.503 nan 8.230 nan 0.000 0.427 741 T N 3.149 117.780 114.554 0.128 0.000 2.881 741 T HA 0.608 4.965 4.350 0.012 0.000 0.290 741 T C -0.710 174.092 174.700 0.169 0.000 1.000 741 T CA -0.382 61.791 62.100 0.122 0.000 0.978 741 T CB 1.463 70.394 68.868 0.105 0.000 0.997 741 T HN 0.720 nan 8.240 nan 0.000 0.443 742 T N 2.401 117.050 114.554 0.158 0.000 2.908 742 T HA 0.824 5.181 4.350 0.012 0.000 0.290 742 T C -0.381 174.369 174.700 0.085 0.000 1.034 742 T CA -0.767 61.449 62.100 0.194 0.000 1.010 742 T CB 1.591 70.599 68.868 0.234 0.000 1.068 742 T HN 0.730 nan 8.240 nan 0.000 0.481 743 S N 0.225 115.937 115.700 0.021 0.000 2.671 743 S HA 0.443 4.920 4.470 0.012 0.000 0.277 743 S C 0.756 175.308 174.600 -0.081 0.000 1.165 743 S CA -0.847 57.343 58.200 -0.017 0.000 0.822 743 S CB 1.712 64.907 63.200 -0.008 0.000 1.150 743 S HN 0.739 nan 8.310 nan 0.000 0.479 744 E N -0.388 119.773 120.200 -0.065 0.000 2.160 744 E HA -0.121 4.236 4.350 0.012 0.000 0.195 744 E C 1.045 177.563 176.600 -0.137 0.000 0.991 744 E CA 1.240 57.586 56.400 -0.090 0.000 0.810 744 E CB -0.095 29.574 29.700 -0.053 0.000 0.742 744 E HN 0.585 nan 8.360 nan 0.000 0.466 745 M N 0.283 119.817 119.600 -0.110 0.000 2.492 745 M HA 0.166 4.653 4.480 0.012 0.000 0.255 745 M C -0.116 176.103 176.300 -0.134 0.000 1.139 745 M CA 0.573 55.812 55.300 -0.102 0.000 1.096 745 M CB 0.382 32.957 32.600 -0.040 0.000 1.360 745 M HN -0.102 nan 8.290 nan 0.000 0.480 746 D N -1.226 119.073 120.400 -0.169 0.000 2.583 746 D HA 0.418 5.065 4.640 0.012 0.000 0.248 746 D C -1.541 174.662 176.300 -0.163 0.000 1.209 746 D CA -0.323 53.600 54.000 -0.128 0.000 0.848 746 D CB 2.409 43.228 40.800 0.032 0.000 1.431 746 D HN -0.084 nan 8.370 nan 0.000 0.436 747 F N 0.900 120.932 119.950 0.136 0.000 2.460 747 F HA 0.376 4.910 4.527 0.012 0.000 0.341 747 F C -0.062 175.867 175.800 0.216 0.000 1.130 747 F CA -0.789 57.283 58.000 0.121 0.000 0.962 747 F CB 1.372 40.402 39.000 0.050 0.000 1.171 747 F HN 0.064 nan 8.300 nan 0.000 0.436 748 C N 4.981 124.498 119.300 0.362 0.000 2.379 748 C HA 0.723 5.190 4.460 0.012 0.000 0.323 748 C C -0.058 175.102 174.990 0.285 0.000 1.262 748 C CA -1.023 58.182 59.018 0.312 0.000 1.581 748 C CB 0.483 28.339 27.740 0.193 0.000 2.221 748 C HN 0.619 nan 8.230 nan 0.000 0.497 749 I N 2.388 123.177 120.570 0.364 0.000 2.465 749 I HA 0.484 4.661 4.170 0.012 0.000 0.291 749 I C -0.169 176.217 176.117 0.449 0.000 1.014 749 I CA -0.091 61.410 61.300 0.336 0.000 1.093 749 I CB 1.510 39.680 38.000 0.283 0.000 1.267 749 I HN 0.684 nan 8.210 nan 0.000 0.431 750 E N 6.069 126.465 120.200 0.327 0.000 2.248 750 E HA 0.679 5.036 4.350 0.012 0.000 0.267 750 E C -1.797 174.970 176.600 0.278 0.000 0.877 750 E CA -0.831 55.737 56.400 0.282 0.000 0.759 750 E CB 2.312 32.076 29.700 0.107 0.000 1.182 750 E HN 0.491 nan 8.360 nan 0.000 0.418 751 L N 5.290 126.695 121.223 0.304 0.000 2.568 751 L HA 0.532 4.879 4.340 0.012 0.000 0.262 751 L C 0.094 177.052 176.870 0.146 0.000 0.980 751 L CA 0.771 55.753 54.840 0.237 0.000 0.882 751 L CB 1.079 43.341 42.059 0.338 0.000 1.198 751 L HN 0.812 nan 8.230 nan 0.000 0.425 752 G N 4.361 113.197 108.800 0.060 0.000 2.556 752 G HA2 -0.424 3.543 3.960 0.012 0.000 0.283 752 G HA3 -0.424 3.543 3.960 0.012 0.000 0.283 752 G C 0.635 175.534 174.900 -0.001 0.000 1.177 752 G CA 0.541 45.657 45.100 0.026 0.000 0.978 752 G HN 1.161 nan 8.290 nan 0.000 0.554 753 N N 1.449 120.144 118.700 -0.009 0.000 2.461 753 N HA 0.050 4.797 4.740 0.012 0.000 0.188 753 N C 0.551 176.018 175.510 -0.071 0.000 1.134 753 N CA 1.172 54.199 53.050 -0.039 0.000 0.878 753 N CB 0.079 38.544 38.487 -0.037 0.000 0.972 753 N HN 0.752 nan 8.380 nan 0.000 0.456 754 K N 0.396 120.751 120.400 -0.075 0.000 2.138 754 K HA 0.477 4.804 4.320 0.012 0.000 0.263 754 K C -0.298 176.160 176.600 -0.237 0.000 0.965 754 K CA -0.549 55.588 56.287 -0.250 0.000 0.868 754 K CB 1.831 34.132 32.500 -0.332 0.000 1.083 754 K HN 0.013 nan 8.250 nan 0.000 0.443 755 R N 1.427 121.691 120.500 -0.394 0.000 2.725 755 R HA 0.438 4.785 4.340 0.012 0.000 0.277 755 R C -1.201 175.022 176.300 -0.128 0.000 0.987 755 R CA -0.891 55.169 56.100 -0.067 0.000 0.901 755 R CB 1.921 32.229 30.300 0.013 0.000 1.207 755 R HN 0.550 nan 8.270 nan 0.000 0.463 756 W N 1.866 123.293 121.300 0.210 0.000 2.883 756 W HA 0.344 5.011 4.660 0.012 0.000 0.335 756 W C -0.597 176.034 176.519 0.186 0.000 1.083 756 W CA -0.582 56.835 57.345 0.120 0.000 1.233 756 W CB 2.369 31.887 29.460 0.096 0.000 1.412 756 W HN 0.410 nan 8.180 nan 0.000 0.490 757 Q N 2.511 122.470 119.800 0.266 0.000 2.325 757 Q HA 0.440 4.787 4.340 0.012 0.000 0.270 757 Q C -1.852 174.154 176.000 0.009 0.000 1.020 757 Q CA -0.486 55.472 55.803 0.260 0.000 0.785 757 Q CB 1.350 30.295 28.738 0.346 0.000 1.259 757 Q HN 0.324 nan 8.270 nan 0.000 0.452 758 F N 2.841 122.888 119.950 0.163 0.000 2.388 758 F HA 0.315 4.849 4.527 0.012 0.000 0.358 758 F C 0.550 176.389 175.800 0.065 0.000 1.122 758 F CA -0.901 57.161 58.000 0.103 0.000 1.056 758 F CB 1.191 40.260 39.000 0.115 0.000 1.155 758 F HN 0.495 nan 8.300 nan 0.000 0.461 759 N N 3.719 122.529 118.700 0.183 0.000 2.442 759 N HA 0.077 4.824 4.740 0.012 0.000 0.265 759 N C 0.888 176.420 175.510 0.036 0.000 1.138 759 N CA 0.027 53.132 53.050 0.093 0.000 0.956 759 N CB 0.717 39.264 38.487 0.099 0.000 1.067 759 N HN 0.686 nan 8.380 nan 0.000 0.474 760 R N 2.307 122.752 120.500 -0.091 0.000 2.276 760 R HA -0.068 4.279 4.340 0.012 0.000 0.203 760 R C 1.632 177.872 176.300 -0.100 0.000 1.017 760 R CA 0.626 56.625 56.100 -0.168 0.000 1.010 760 R CB 0.193 30.262 30.300 -0.385 0.000 0.900 760 R HN 0.682 nan 8.270 nan 0.000 0.469 761 Q N 0.504 120.273 119.800 -0.051 0.000 2.204 761 Q HA -0.069 4.278 4.340 0.012 0.000 0.198 761 Q C 1.802 177.796 176.000 -0.009 0.000 0.946 761 Q CA 1.522 57.307 55.803 -0.030 0.000 0.859 761 Q CB 0.310 29.046 28.738 -0.003 0.000 0.946 761 Q HN 0.308 nan 8.270 nan 0.000 0.474 762 S N -1.837 113.883 115.700 0.033 0.000 2.470 762 S HA 0.198 4.675 4.470 0.012 0.000 0.222 762 S C 1.402 175.944 174.600 -0.097 0.000 1.024 762 S CA 0.610 58.852 58.200 0.070 0.000 0.931 762 S CB 0.513 63.867 63.200 0.258 0.000 0.791 762 S HN 0.602 nan 8.310 nan 0.000 0.513 763 G N 0.489 109.239 108.800 -0.083 0.000 2.136 763 G HA2 -0.218 3.749 3.960 0.012 0.000 0.242 763 G HA3 -0.218 3.749 3.960 0.012 0.000 0.242 763 G C -0.110 174.719 174.900 -0.119 0.000 0.989 763 G CA 0.250 45.272 45.100 -0.129 0.000 0.682 763 G HN 0.536 nan 8.290 nan 0.000 0.522 764 F N -1.278 118.850 119.950 0.296 0.000 2.556 764 F HA 0.671 5.205 4.527 0.012 0.000 0.327 764 F C 0.530 176.355 175.800 0.040 0.000 1.059 764 F CA -1.499 56.631 58.000 0.216 0.000 0.953 764 F CB 1.434 40.519 39.000 0.141 0.000 1.227 764 F HN 0.008 nan 8.300 nan 0.000 0.478 765 L N 1.962 123.208 121.223 0.037 0.000 2.530 765 L HA 0.134 4.481 4.340 0.012 0.000 0.273 765 L C 0.976 177.740 176.870 -0.176 0.000 1.141 765 L CA 0.485 55.028 54.840 -0.495 0.000 0.905 765 L CB 0.329 42.042 42.059 -0.578 0.000 1.202 765 L HN 0.712 nan 8.230 nan 0.000 0.473 766 S N 2.521 118.124 115.700 -0.162 0.000 2.492 766 S HA 0.240 4.717 4.470 0.012 0.000 0.218 766 S C 0.561 175.046 174.600 -0.191 0.000 1.016 766 S CA -0.053 58.094 58.200 -0.088 0.000 0.916 766 S CB 0.113 63.314 63.200 0.002 0.000 0.791 766 S HN 0.672 nan 8.310 nan 0.000 0.513 767 Q N -0.307 119.323 119.800 -0.283 0.000 2.578 767 Q HA 0.679 5.026 4.340 0.012 0.000 0.284 767 Q C -2.016 173.650 176.000 -0.557 0.000 0.960 767 Q CA -0.310 55.189 55.803 -0.506 0.000 0.809 767 Q CB 1.645 29.959 28.738 -0.707 0.000 1.462 767 Q HN 0.398 nan 8.270 nan 0.000 0.392 768 M N 1.446 120.597 119.600 -0.748 0.000 2.433 768 M HA 0.585 5.072 4.480 0.012 0.000 0.290 768 M C -1.579 174.322 176.300 -0.665 0.000 1.173 768 M CA -0.391 54.545 55.300 -0.607 0.000 0.905 768 M CB 2.145 34.359 32.600 -0.643 0.000 1.692 768 M HN 0.512 nan 8.290 nan 0.000 0.462 769 W N 3.564 124.630 121.300 -0.389 0.000 2.702 769 W HA 0.636 5.303 4.660 0.012 0.000 0.331 769 W C -1.339 174.989 176.519 -0.318 0.000 1.049 769 W CA -0.641 56.540 57.345 -0.273 0.000 1.230 769 W CB 1.645 30.981 29.460 -0.207 0.000 1.408 769 W HN 0.462 nan 8.180 nan 0.000 0.492 770 I N 2.532 123.083 120.570 -0.032 0.000 2.418 770 I HA 0.445 4.622 4.170 0.012 0.000 0.287 770 I C 0.854 176.951 176.117 -0.032 0.000 1.008 770 I CA 0.255 61.499 61.300 -0.093 0.000 1.104 770 I CB 1.418 39.337 38.000 -0.135 0.000 1.264 770 I HN 0.727 nan 8.210 nan 0.000 0.438 771 G N 5.683 114.458 108.800 -0.042 0.000 2.565 771 G HA2 -0.266 3.701 3.960 0.012 0.000 0.295 771 G HA3 -0.266 3.701 3.960 0.012 0.000 0.295 771 G C 0.226 175.131 174.900 0.010 0.000 1.165 771 G CA 0.436 45.520 45.100 -0.027 0.000 0.977 771 G HN 0.616 nan 8.290 nan 0.000 0.546 772 D N 0.951 121.370 120.400 0.032 0.000 2.571 772 D HA 0.277 4.924 4.640 0.012 0.000 0.239 772 D C 0.492 176.920 176.300 0.212 0.000 1.267 772 D CA -0.016 54.035 54.000 0.084 0.000 0.823 772 D CB 0.872 41.671 40.800 -0.001 0.000 1.056 772 D HN 0.274 nan 8.370 nan 0.000 0.494 773 K N 1.344 121.827 120.400 0.138 0.000 2.211 773 K HA 0.219 4.546 4.320 0.012 0.000 0.275 773 K C 0.019 176.592 176.600 -0.045 0.000 1.024 773 K CA -0.427 55.897 56.287 0.063 0.000 0.887 773 K CB 1.119 33.610 32.500 -0.015 0.000 1.084 773 K HN -0.259 nan 8.250 nan 0.000 0.463 774 K N 2.705 122.996 120.400 -0.181 0.000 2.448 774 K HA -0.020 4.307 4.320 0.012 0.000 0.278 774 K C 0.613 177.016 176.600 -0.329 0.000 1.009 774 K CA 0.039 55.999 56.287 -0.544 0.000 0.995 774 K CB 0.690 32.921 32.500 -0.447 0.000 0.917 774 K HN 0.503 nan 8.250 nan 0.000 0.481 775 Q N 1.528 121.106 119.800 -0.370 0.000 2.378 775 Q HA 0.188 4.535 4.340 0.012 0.000 0.216 775 Q C 0.047 175.966 176.000 -0.134 0.000 0.892 775 Q CA 0.476 56.191 55.803 -0.147 0.000 0.931 775 Q CB 0.529 29.218 28.738 -0.081 0.000 1.086 775 Q HN 0.505 nan 8.270 nan 0.000 0.528 776 L N 0.628 121.703 121.223 -0.248 0.000 2.362 776 L HA 0.392 4.739 4.340 0.012 0.000 0.271 776 L C 0.876 177.613 176.870 -0.222 0.000 1.002 776 L CA -0.366 54.349 54.840 -0.209 0.000 0.818 776 L CB 1.767 43.691 42.059 -0.226 0.000 1.298 776 L HN -0.075 nan 8.230 nan 0.000 0.420 777 L N 0.584 121.671 121.223 -0.227 0.000 2.470 777 L HA 0.173 4.520 4.340 0.012 0.000 0.219 777 L C 0.637 177.385 176.870 -0.203 0.000 1.071 777 L CA 0.444 55.155 54.840 -0.214 0.000 0.850 777 L CB 0.419 42.337 42.059 -0.235 0.000 1.040 777 L HN 0.736 nan 8.230 nan 0.000 0.475 778 T N -3.088 111.319 114.554 -0.246 0.000 2.900 778 T HA 0.555 4.912 4.350 0.012 0.000 0.295 778 T C -2.846 171.776 174.700 -0.131 0.000 1.044 778 T CA -2.090 59.914 62.100 -0.159 0.000 0.995 778 T CB 2.210 70.993 68.868 -0.141 0.000 1.072 778 T HN -0.311 nan 8.240 nan 0.000 0.473 779 P HA 0.265 nan 4.420 nan 0.000 0.271 779 P C -0.637 176.619 177.300 -0.072 0.000 1.233 779 P CA -0.766 62.295 63.100 -0.065 0.000 0.789 779 P CB 0.308 32.001 31.700 -0.012 0.000 0.951 780 L N 2.798 124.009 121.223 -0.019 0.000 2.315 780 L HA 0.294 4.641 4.340 0.012 0.000 0.283 780 L C 0.049 176.862 176.870 -0.095 0.000 1.089 780 L CA 0.593 55.453 54.840 0.033 0.000 0.833 780 L CB -0.559 41.621 42.059 0.201 0.000 1.170 780 L HN 0.284 nan 8.230 nan 0.000 0.442 781 R N 2.844 123.200 120.500 -0.240 0.000 2.808 781 R HA 0.435 4.782 4.340 0.012 0.000 0.272 781 R C -1.042 175.108 176.300 -0.250 0.000 0.995 781 R CA -1.072 54.702 56.100 -0.543 0.000 0.917 781 R CB 1.357 31.224 30.300 -0.723 0.000 1.217 781 R HN 0.561 nan 8.270 nan 0.000 0.471 782 D N 1.267 121.583 120.400 -0.142 0.000 2.400 782 D HA 0.030 4.677 4.640 0.012 0.000 0.238 782 D C -0.381 175.543 176.300 -0.628 0.000 1.157 782 D CA 0.455 54.247 54.000 -0.347 0.000 0.889 782 D CB 0.659 41.219 40.800 -0.399 0.000 1.199 782 D HN 0.212 nan 8.370 nan 0.000 0.436 783 Q N 1.140 120.366 119.800 -0.957 0.000 2.285 783 Q HA 0.331 4.678 4.340 0.012 0.000 0.269 783 Q C -1.257 173.978 176.000 -1.275 0.000 1.030 783 Q CA -0.578 54.704 55.803 -0.868 0.000 0.788 783 Q CB 0.794 29.247 28.738 -0.475 0.000 1.266 783 Q HN 0.572 nan 8.270 nan 0.000 0.438 784 F N 0.827 120.369 119.950 -0.680 0.000 2.706 784 F HA 0.197 4.731 4.527 0.012 0.000 0.313 784 F C 0.634 175.972 175.800 -0.769 0.000 1.096 784 F CA -0.163 57.312 58.000 -0.874 0.000 1.219 784 F CB 1.563 39.697 39.000 -1.445 0.000 1.051 784 F HN 0.461 nan 8.300 nan 0.000 0.568 785 T N -0.853 113.373 114.554 -0.546 0.000 2.907 785 T HA 0.749 5.106 4.350 0.012 0.000 0.290 785 T C -0.585 173.851 174.700 -0.440 0.000 1.066 785 T CA -1.001 60.712 62.100 -0.646 0.000 1.012 785 T CB 2.679 71.087 68.868 -0.766 0.000 1.184 785 T HN 0.226 nan 8.240 nan 0.000 0.522 786 R N -0.091 120.189 120.500 -0.368 0.000 2.795 786 R HA 0.775 5.122 4.340 0.012 0.000 0.275 786 R C -0.768 175.578 176.300 0.077 0.000 0.981 786 R CA -1.226 54.799 56.100 -0.124 0.000 0.917 786 R CB 1.571 31.810 30.300 -0.101 0.000 1.202 786 R HN 0.819 nan 8.270 nan 0.000 0.469 787 A N 3.596 126.449 122.820 0.054 0.000 2.484 787 A HA 0.275 4.602 4.320 0.012 0.000 0.268 787 A C -1.982 175.663 177.584 0.102 0.000 1.114 787 A CA -1.299 50.772 52.037 0.056 0.000 0.780 787 A CB -0.445 18.533 19.000 -0.037 0.000 1.061 787 A HN 0.569 nan 8.150 nan 0.000 0.505 788 P HA 0.131 nan 4.420 nan 0.000 0.267 788 P C -0.189 177.221 177.300 0.183 0.000 1.205 788 P CA 0.269 63.523 63.100 0.256 0.000 0.765 788 P CB 0.478 32.370 31.700 0.321 0.000 0.828 789 L N 2.570 123.866 121.223 0.122 0.000 2.472 789 L HA 0.115 4.462 4.340 0.012 0.000 0.260 789 L C 1.880 178.752 176.870 0.002 0.000 1.209 789 L CA -0.357 54.487 54.840 0.007 0.000 0.817 789 L CB -0.086 41.908 42.059 -0.108 0.000 1.106 789 L HN 0.325 nan 8.230 nan 0.000 0.479 790 D N 0.448 120.783 120.400 -0.108 0.000 2.158 790 D HA -0.165 4.482 4.640 0.012 0.000 0.197 790 D C 1.561 177.761 176.300 -0.166 0.000 0.995 790 D CA 1.451 55.302 54.000 -0.248 0.000 0.846 790 D CB 0.031 40.594 40.800 -0.395 0.000 0.941 790 D HN 0.486 nan 8.370 nan 0.000 0.456 791 N N 0.947 119.572 118.700 -0.124 0.000 2.396 791 N HA -0.095 4.652 4.740 0.012 0.000 0.180 791 N C 1.116 176.628 175.510 0.002 0.000 1.028 791 N CA 0.600 53.609 53.050 -0.069 0.000 0.893 791 N CB -0.091 38.348 38.487 -0.080 0.000 0.967 791 N HN 0.232 nan 8.380 nan 0.000 0.440 792 D N 0.406 120.821 120.400 0.024 0.000 2.234 792 D HA 0.059 4.706 4.640 0.012 0.000 0.205 792 D C 1.950 178.285 176.300 0.058 0.000 0.962 792 D CA 0.387 54.434 54.000 0.079 0.000 0.855 792 D CB 0.194 41.115 40.800 0.203 0.000 0.951 792 D HN 0.308 nan 8.370 nan 0.000 0.500 793 I N 0.134 120.721 120.570 0.030 0.000 2.585 793 I HA 0.060 4.237 4.170 0.012 0.000 0.254 793 I C 1.813 177.940 176.117 0.017 0.000 1.129 793 I CA 0.572 61.878 61.300 0.010 0.000 1.455 793 I CB -0.306 37.665 38.000 -0.049 0.000 1.111 793 I HN 0.047 nan 8.210 nan 0.000 0.433 794 G N 1.457 110.276 108.800 0.032 0.000 2.611 794 G HA2 -0.357 3.610 3.960 0.012 0.000 0.301 794 G HA3 -0.357 3.610 3.960 0.012 0.000 0.301 794 G C 0.739 175.794 174.900 0.257 0.000 1.233 794 G CA 0.900 46.090 45.100 0.149 0.000 0.993 794 G HN 0.499 nan 8.290 nan 0.000 0.553 795 V N -1.763 118.267 119.914 0.194 0.000 3.633 795 V HA 0.572 4.699 4.120 0.012 0.000 0.283 795 V C 1.336 177.453 176.094 0.040 0.000 1.305 795 V CA 1.284 63.650 62.300 0.109 0.000 1.153 795 V CB -0.032 31.748 31.823 -0.072 0.000 0.950 795 V HN 1.165 nan 8.190 nan 0.000 0.432 796 S N 1.011 116.731 115.700 0.033 0.000 2.560 796 S HA 0.313 4.790 4.470 0.012 0.000 0.284 796 S C -0.116 174.489 174.600 0.009 0.000 1.327 796 S CA 0.088 58.290 58.200 0.004 0.000 1.055 796 S CB 0.408 63.606 63.200 -0.004 0.000 0.868 796 S HN 0.814 nan 8.310 nan 0.000 0.506 797 E N 1.126 121.326 120.200 0.001 0.000 2.383 797 E HA 0.560 4.917 4.350 0.012 0.000 0.275 797 E C 0.465 177.070 176.600 0.008 0.000 0.918 797 E CA -0.462 55.943 56.400 0.008 0.000 0.764 797 E CB 1.537 31.240 29.700 0.005 0.000 1.252 797 E HN 0.605 nan 8.360 nan 0.000 0.449 798 A N 1.030 123.861 122.820 0.018 0.000 1.908 798 A HA -0.200 4.127 4.320 0.012 0.000 0.218 798 A C 2.035 179.626 177.584 0.012 0.000 1.181 798 A CA 2.501 54.549 52.037 0.018 0.000 0.627 798 A CB -0.949 18.067 19.000 0.027 0.000 0.818 798 A HN 0.669 nan 8.150 nan 0.000 0.445 799 T N -2.604 111.957 114.554 0.011 0.000 3.072 799 T HA -0.034 4.323 4.350 0.012 0.000 0.266 799 T C 0.806 175.502 174.700 -0.007 0.000 1.127 799 T CA 1.210 63.313 62.100 0.005 0.000 1.107 799 T CB -0.197 68.675 68.868 0.007 0.000 0.910 799 T HN 0.511 nan 8.240 nan 0.000 0.513 800 R N 0.660 121.153 120.500 -0.011 0.000 3.189 800 R HA 0.279 4.626 4.340 0.012 0.000 0.222 800 R C -1.408 174.878 176.300 -0.024 0.000 1.735 800 R CA -0.663 55.423 56.100 -0.022 0.000 1.129 800 R CB -0.106 30.174 30.300 -0.035 0.000 1.549 800 R HN 0.136 nan 8.270 nan 0.000 0.525 801 I N 2.308 122.867 120.570 -0.019 0.000 2.648 801 I HA 0.040 4.217 4.170 0.012 0.000 0.284 801 I C 0.367 176.464 176.117 -0.034 0.000 1.153 801 I CA 0.176 61.464 61.300 -0.021 0.000 1.426 801 I CB 0.790 38.781 38.000 -0.015 0.000 1.381 801 I HN 0.563 nan 8.210 nan 0.000 0.571 802 D N 8.949 129.326 120.400 -0.038 0.000 2.454 802 D HA 0.295 4.942 4.640 0.012 0.000 0.225 802 D C -1.758 174.500 176.300 -0.070 0.000 1.081 802 D CA -2.195 51.774 54.000 -0.052 0.000 0.864 802 D CB 1.572 42.343 40.800 -0.047 0.000 1.040 802 D HN 0.192 nan 8.370 nan 0.000 0.517 803 P HA -0.092 nan 4.420 nan 0.000 0.228 803 P C 0.700 177.912 177.300 -0.146 0.000 1.151 803 P CA 0.587 63.631 63.100 -0.094 0.000 0.770 803 P CB 0.379 32.032 31.700 -0.078 0.000 0.786 804 N N -0.104 118.503 118.700 -0.156 0.000 2.373 804 N HA 0.082 4.829 4.740 0.012 0.000 0.181 804 N C 0.399 175.723 175.510 -0.310 0.000 1.082 804 N CA -0.062 52.850 53.050 -0.230 0.000 0.885 804 N CB -0.319 38.060 38.487 -0.179 0.000 0.977 804 N HN -0.064 nan 8.380 nan 0.000 0.462 805 A N -0.417 122.269 122.820 -0.222 0.000 2.445 805 A HA 0.095 4.422 4.320 0.012 0.000 0.242 805 A C 0.706 178.098 177.584 -0.320 0.000 1.075 805 A CA -0.354 51.554 52.037 -0.216 0.000 0.777 805 A CB -0.140 18.803 19.000 -0.095 0.000 1.013 805 A HN 0.536 nan 8.150 nan 0.000 0.493 806 W N 1.661 122.705 121.300 -0.427 0.000 2.318 806 W HA -0.195 4.472 4.660 0.011 0.000 0.313 806 W C 2.233 178.171 176.519 -0.968 0.000 1.221 806 W CA 1.764 58.587 57.345 -0.870 0.000 1.266 806 W CB -0.347 28.465 29.460 -1.081 0.000 1.150 806 W HN 0.562 nan 8.180 nan 0.000 0.496 807 V N 0.854 120.644 119.914 -0.206 0.000 2.392 807 V HA -0.276 3.851 4.120 0.012 0.000 0.249 807 V C 2.121 178.298 176.094 0.139 0.000 1.059 807 V CA 2.160 64.551 62.300 0.152 0.000 1.051 807 V CB -0.334 31.619 31.823 0.217 0.000 0.658 807 V HN 0.098 nan 8.190 nan 0.000 0.455 808 E N -0.219 119.973 120.200 -0.015 0.000 2.158 808 E HA -0.127 4.230 4.350 0.012 0.000 0.191 808 E C 2.342 178.919 176.600 -0.038 0.000 0.982 808 E CA 0.844 57.239 56.400 -0.009 0.000 0.823 808 E CB -0.263 29.406 29.700 -0.052 0.000 0.766 808 E HN 0.619 nan 8.360 nan 0.000 0.468 809 R N -0.141 120.264 120.500 -0.159 0.000 2.066 809 R HA -0.114 4.233 4.340 0.012 0.000 0.232 809 R C 2.281 178.531 176.300 -0.083 0.000 1.131 809 R CA 1.311 57.296 56.100 -0.192 0.000 0.955 809 R CB -0.192 29.880 30.300 -0.380 0.000 0.851 809 R HN 0.231 nan 8.270 nan 0.000 0.432 810 W N 1.522 122.792 121.300 -0.051 0.000 2.355 810 W HA -0.101 4.567 4.660 0.012 0.000 0.309 810 W C 1.983 178.462 176.519 -0.067 0.000 1.206 810 W CA 0.772 57.971 57.345 -0.242 0.000 1.284 810 W CB -0.722 28.751 29.460 0.022 0.000 1.145 810 W HN 0.105 nan 8.180 nan 0.000 0.502 811 K N 0.086 120.719 120.400 0.388 0.000 2.032 811 K HA -0.121 4.206 4.320 0.012 0.000 0.209 811 K C 2.288 178.955 176.600 0.111 0.000 1.048 811 K CA 1.961 58.425 56.287 0.295 0.000 0.927 811 K CB -0.651 31.963 32.500 0.190 0.000 0.712 811 K HN -0.005 nan 8.250 nan 0.000 0.441 812 A N 1.125 123.980 122.820 0.059 0.000 1.972 812 A HA -0.087 4.240 4.320 0.012 0.000 0.219 812 A C 2.235 179.821 177.584 0.003 0.000 1.169 812 A CA 1.768 53.820 52.037 0.026 0.000 0.635 812 A CB -0.582 18.422 19.000 0.008 0.000 0.810 812 A HN 0.348 nan 8.150 nan 0.000 0.446 813 A N -1.913 120.888 122.820 -0.032 0.000 2.167 813 A HA 0.380 4.707 4.320 0.012 0.000 0.214 813 A C 1.868 179.409 177.584 -0.073 0.000 1.151 813 A CA 1.339 53.365 52.037 -0.019 0.000 0.735 813 A CB -0.835 18.119 19.000 -0.076 0.000 0.802 813 A HN 1.888 nan 8.150 nan 0.000 0.467 814 G N -1.831 106.821 108.800 -0.247 0.000 2.141 814 G HA2 -0.290 3.677 3.960 0.012 0.000 0.242 814 G HA3 -0.290 3.677 3.960 0.012 0.000 0.242 814 G C 0.575 175.463 174.900 -0.021 0.000 0.982 814 G CA 0.633 45.363 45.100 -0.618 0.000 0.662 814 G HN 0.736 nan 8.290 nan 0.000 0.527 815 H N -1.433 117.623 119.070 -0.022 0.000 2.387 815 H HA -0.084 4.479 4.556 0.012 0.000 0.299 815 H C 2.150 177.452 175.328 -0.044 0.000 1.099 815 H CA 1.556 57.604 56.048 -0.000 0.000 1.315 815 H CB 0.093 29.791 29.762 -0.107 0.000 1.380 815 H HN 0.598 nan 8.280 nan 0.000 0.513 816 Y N 0.898 121.320 120.300 0.202 0.000 2.561 816 Y HA -0.095 4.462 4.550 0.012 0.000 0.291 816 Y C 2.076 178.056 175.900 0.133 0.000 1.141 816 Y CA 0.658 58.838 58.100 0.133 0.000 1.303 816 Y CB 0.379 38.901 38.460 0.105 0.000 1.015 816 Y HN 0.368 nan 8.280 nan 0.000 0.547 817 Q N -0.539 119.419 119.800 0.263 0.000 2.159 817 Q HA 0.424 4.771 4.340 0.012 0.000 0.217 817 Q C 0.250 176.436 176.000 0.310 0.000 0.818 817 Q CA -0.222 55.736 55.803 0.259 0.000 1.008 817 Q CB 0.457 29.336 28.738 0.234 0.000 1.148 817 Q HN 0.130 nan 8.270 nan 0.000 0.491 818 A N 1.714 124.740 122.820 0.343 0.000 2.477 818 A HA 0.170 4.497 4.320 0.012 0.000 0.246 818 A C -0.156 177.731 177.584 0.506 0.000 1.078 818 A CA -0.040 52.264 52.037 0.444 0.000 0.770 818 A CB 0.291 19.591 19.000 0.500 0.000 1.011 818 A HN 0.345 nan 8.150 nan 0.000 0.494 819 E N 1.190 121.599 120.200 0.349 0.000 2.179 819 E HA 0.464 4.821 4.350 0.012 0.000 0.275 819 E C -0.186 176.359 176.600 -0.092 0.000 0.945 819 E CA -0.530 55.989 56.400 0.198 0.000 0.792 819 E CB 1.898 31.679 29.700 0.135 0.000 1.125 819 E HN 0.747 nan 8.360 nan 0.000 0.397 820 A N 2.187 124.836 122.820 -0.285 0.000 2.488 820 A HA 0.446 4.773 4.320 0.012 0.000 0.249 820 A C -0.096 177.336 177.584 -0.254 0.000 1.083 820 A CA -0.036 51.564 52.037 -0.728 0.000 0.768 820 A CB 0.220 18.945 19.000 -0.458 0.000 1.017 820 A HN 0.591 nan 8.150 nan 0.000 0.496 821 A N 2.667 125.338 122.820 -0.248 0.000 2.318 821 A HA 0.593 4.920 4.320 0.012 0.000 0.317 821 A C -0.530 176.985 177.584 -0.115 0.000 1.159 821 A CA -0.564 51.409 52.037 -0.107 0.000 0.799 821 A CB 0.647 19.601 19.000 -0.077 0.000 1.194 821 A HN 1.191 nan 8.150 nan 0.000 0.479 822 L N 3.107 124.248 121.223 -0.136 0.000 2.319 822 L HA 0.382 4.729 4.340 0.012 0.000 0.280 822 L C 0.361 177.102 176.870 -0.215 0.000 1.099 822 L CA 0.264 54.924 54.840 -0.300 0.000 0.828 822 L CB 0.403 42.301 42.059 -0.269 0.000 1.150 822 L HN 0.769 nan 8.230 nan 0.000 0.442 823 L N 3.571 124.650 121.223 -0.240 0.000 2.575 823 L HA 0.347 4.694 4.340 0.012 0.000 0.228 823 L C 0.329 177.130 176.870 -0.116 0.000 1.075 823 L CA -0.002 54.762 54.840 -0.126 0.000 0.867 823 L CB 0.099 42.115 42.059 -0.071 0.000 1.097 823 L HN 0.730 nan 8.230 nan 0.000 0.485 824 Q N -0.267 119.434 119.800 -0.164 0.000 2.503 824 Q HA 0.320 4.667 4.340 0.012 0.000 0.268 824 Q C -2.101 173.843 176.000 -0.092 0.000 0.982 824 Q CA -0.559 55.189 55.803 -0.093 0.000 0.907 824 Q CB 2.859 31.568 28.738 -0.049 0.000 1.467 824 Q HN 0.034 nan 8.270 nan 0.000 0.394 825 C N 3.185 122.475 119.300 -0.018 0.000 2.887 825 C HA 0.777 5.244 4.460 0.012 0.000 0.379 825 C C -0.881 174.219 174.990 0.184 0.000 1.064 825 C CA 0.558 59.613 59.018 0.061 0.000 1.282 825 C CB 0.599 28.360 27.740 0.036 0.000 1.749 825 C HN 0.845 nan 8.230 nan 0.000 0.489 826 T N 2.457 117.076 114.554 0.107 0.000 2.901 826 T HA 0.924 5.281 4.350 0.012 0.000 0.293 826 T C -0.512 173.985 174.700 -0.338 0.000 1.084 826 T CA -0.270 61.841 62.100 0.018 0.000 1.008 826 T CB 1.961 70.812 68.868 -0.028 0.000 1.170 826 T HN 1.779 nan 8.240 nan 0.000 0.509 827 A N 1.170 123.605 122.820 -0.641 0.000 2.393 827 A HA 0.760 5.087 4.320 0.012 0.000 0.306 827 A C -1.269 176.044 177.584 -0.452 0.000 1.050 827 A CA -0.743 50.789 52.037 -0.842 0.000 0.724 827 A CB 1.310 19.328 19.000 -1.638 0.000 1.248 827 A HN 0.887 nan 8.150 nan 0.000 0.424 828 D N 0.859 121.062 120.400 -0.328 0.000 2.732 828 D HA 0.475 5.122 4.640 0.012 0.000 0.229 828 D C -1.030 175.159 176.300 -0.185 0.000 1.152 828 D CA -0.099 53.776 54.000 -0.209 0.000 0.854 828 D CB 2.441 43.151 40.800 -0.149 0.000 1.590 828 D HN 0.429 nan 8.370 nan 0.000 0.468 829 T N 1.727 116.195 114.554 -0.143 0.000 2.749 829 T HA 0.440 4.797 4.350 0.012 0.000 0.287 829 T C 0.629 175.270 174.700 -0.098 0.000 0.970 829 T CA -0.465 61.560 62.100 -0.124 0.000 0.980 829 T CB 0.841 69.637 68.868 -0.120 0.000 0.924 829 T HN 0.106 nan 8.240 nan 0.000 0.456 830 L N 1.513 122.681 121.223 -0.091 0.000 2.544 830 L HA 0.584 4.931 4.340 0.012 0.000 0.256 830 L C 2.028 178.861 176.870 -0.061 0.000 1.097 830 L CA -1.131 53.666 54.840 -0.071 0.000 0.812 830 L CB 0.229 42.248 42.059 -0.067 0.000 1.440 830 L HN 0.693 nan 8.230 nan 0.000 0.496 831 A N 0.422 123.214 122.820 -0.048 0.000 1.902 831 A HA -0.156 4.171 4.320 0.012 0.000 0.217 831 A C 1.035 178.595 177.584 -0.041 0.000 1.181 831 A CA 2.007 54.019 52.037 -0.041 0.000 0.623 831 A CB -0.434 18.547 19.000 -0.032 0.000 0.818 831 A HN 0.886 nan 8.150 nan 0.000 0.443 832 D N -2.467 117.908 120.400 -0.042 0.000 2.673 832 D HA 0.561 5.208 4.640 0.012 0.000 0.278 832 D C -0.094 176.180 176.300 -0.043 0.000 1.393 832 D CA 0.665 54.642 54.000 -0.038 0.000 0.805 832 D CB -0.193 40.585 40.800 -0.036 0.000 1.110 832 D HN 0.496 nan 8.370 nan 0.000 0.476 833 A N -0.616 122.168 122.820 -0.059 0.000 2.566 833 A HA 0.593 4.920 4.320 0.012 0.000 0.290 833 A C -1.775 175.748 177.584 -0.103 0.000 1.071 833 A CA -0.695 51.295 52.037 -0.078 0.000 0.658 833 A CB 1.410 20.365 19.000 -0.075 0.000 1.285 833 A HN 0.006 nan 8.150 nan 0.000 0.427 834 V N 0.557 120.388 119.914 -0.137 0.000 2.513 834 V HA 0.655 4.782 4.120 0.012 0.000 0.299 834 V C -0.846 175.133 176.094 -0.191 0.000 1.035 834 V CA -0.471 61.728 62.300 -0.167 0.000 0.889 834 V CB 1.459 33.178 31.823 -0.174 0.000 0.988 834 V HN 0.869 nan 8.190 nan 0.000 0.440 835 L N 5.988 127.090 121.223 -0.202 0.000 2.325 835 L HA 0.640 4.987 4.340 0.012 0.000 0.281 835 L C -0.867 175.844 176.870 -0.265 0.000 1.004 835 L CA 0.007 54.736 54.840 -0.184 0.000 0.823 835 L CB 1.270 43.252 42.059 -0.128 0.000 1.236 835 L HN 0.401 nan 8.230 nan 0.000 0.415 836 I N 4.094 124.499 120.570 -0.276 0.000 2.377 836 I HA 0.422 4.599 4.170 0.012 0.000 0.293 836 I C -0.095 175.970 176.117 -0.088 0.000 0.987 836 I CA -0.252 60.828 61.300 -0.367 0.000 1.185 836 I CB 1.582 39.078 38.000 -0.839 0.000 1.341 836 I HN 0.565 nan 8.210 nan 0.000 0.455 837 T N 4.948 119.462 114.554 -0.066 0.000 2.792 837 T HA 0.637 4.994 4.350 0.012 0.000 0.280 837 T C 0.185 174.927 174.700 0.069 0.000 0.990 837 T CA -0.535 61.583 62.100 0.031 0.000 0.960 837 T CB 1.718 70.581 68.868 -0.009 0.000 0.939 837 T HN 0.767 nan 8.240 nan 0.000 0.439 838 T N -0.442 114.198 114.554 0.142 0.000 2.901 838 T HA 0.887 5.244 4.350 0.012 0.000 0.293 838 T C -1.097 173.654 174.700 0.085 0.000 1.084 838 T CA -1.095 61.065 62.100 0.099 0.000 1.008 838 T CB 2.037 71.029 68.868 0.207 0.000 1.170 838 T HN 0.769 nan 8.240 nan 0.000 0.509 839 A N 1.258 124.051 122.820 -0.045 0.000 2.459 839 A HA 0.766 5.093 4.320 0.012 0.000 0.296 839 A C -1.459 176.022 177.584 -0.170 0.000 1.039 839 A CA -0.764 51.282 52.037 0.015 0.000 0.698 839 A CB 0.917 19.934 19.000 0.027 0.000 1.261 839 A HN 1.006 nan 8.150 nan 0.000 0.405 840 H N -0.031 119.089 119.070 0.083 0.000 2.895 840 H HA 0.767 5.330 4.556 0.012 0.000 0.373 840 H C -0.077 175.258 175.328 0.011 0.000 1.174 840 H CA 0.284 56.298 56.048 -0.057 0.000 1.144 840 H CB 2.165 31.814 29.762 -0.189 0.000 1.793 840 H HN 1.001 nan 8.280 nan 0.000 0.551 841 A N 1.907 124.735 122.820 0.014 0.000 2.342 841 A HA 0.424 4.751 4.320 0.012 0.000 0.323 841 A C -1.293 176.273 177.584 -0.030 0.000 1.125 841 A CA -0.700 51.403 52.037 0.109 0.000 0.785 841 A CB 1.075 20.122 19.000 0.078 0.000 1.221 841 A HN 0.581 nan 8.150 nan 0.000 0.463 842 W N 2.018 123.427 121.300 0.181 0.000 2.349 842 W HA 0.437 5.104 4.660 0.012 0.000 0.309 842 W C -0.308 176.241 176.519 0.050 0.000 1.083 842 W CA -0.084 57.366 57.345 0.175 0.000 1.224 842 W CB 1.610 31.240 29.460 0.284 0.000 1.256 842 W HN 0.794 nan 8.180 nan 0.000 0.461 843 Q N 1.385 121.321 119.800 0.227 0.000 2.528 843 Q HA 0.471 4.818 4.340 0.012 0.000 0.289 843 Q C -0.974 175.162 176.000 0.227 0.000 1.091 843 Q CA -0.955 54.941 55.803 0.154 0.000 0.797 843 Q CB 3.574 32.360 28.738 0.080 0.000 1.466 843 Q HN 0.378 nan 8.270 nan 0.000 0.436 844 H N 0.965 120.072 119.070 0.062 0.000 3.149 844 H HA 0.075 4.638 4.556 0.012 0.000 0.334 844 H C -0.994 174.368 175.328 0.056 0.000 1.000 844 H CA -0.053 56.042 56.048 0.079 0.000 1.415 844 H CB 1.098 30.922 29.762 0.104 0.000 1.819 844 H HN 0.856 nan 8.280 nan 0.000 0.486 845 Q N 3.219 122.764 119.800 -0.424 0.000 2.453 845 Q HA -0.251 4.096 4.340 0.012 0.000 0.294 845 Q C 0.900 176.842 176.000 -0.096 0.000 1.295 845 Q CA 1.193 56.828 55.803 -0.280 0.000 0.853 845 Q CB -1.415 27.121 28.738 -0.335 0.000 1.193 845 Q HN 1.175 nan 8.270 nan 0.000 0.461 846 G N -0.437 108.330 108.800 -0.054 0.000 2.217 846 G HA2 -0.346 3.621 3.960 0.012 0.000 0.246 846 G HA3 -0.346 3.621 3.960 0.012 0.000 0.246 846 G C 0.037 174.942 174.900 0.008 0.000 0.990 846 G CA 0.436 45.528 45.100 -0.015 0.000 0.627 846 G HN 0.314 nan 8.290 nan 0.000 0.522 847 K N 1.721 122.135 120.400 0.024 0.000 2.183 847 K HA 0.644 4.971 4.320 0.012 0.000 0.274 847 K C -0.010 176.606 176.600 0.027 0.000 1.009 847 K CA -0.095 56.211 56.287 0.031 0.000 0.888 847 K CB 0.912 33.445 32.500 0.054 0.000 1.078 847 K HN -0.004 nan 8.250 nan 0.000 0.459 848 T N 6.191 120.751 114.554 0.009 0.000 2.729 848 T HA 0.223 4.580 4.350 0.012 0.000 0.296 848 T C 1.023 175.670 174.700 -0.089 0.000 0.928 848 T CA -0.340 61.761 62.100 0.002 0.000 1.045 848 T CB 0.317 69.201 68.868 0.026 0.000 0.902 848 T HN 0.552 nan 8.240 nan 0.000 0.500 849 L N 2.679 123.766 121.223 -0.227 0.000 2.168 849 L HA 0.369 4.716 4.340 0.012 0.000 0.203 849 L C -0.090 176.296 176.870 -0.808 0.000 1.078 849 L CA 0.772 55.212 54.840 -0.667 0.000 0.780 849 L CB 0.095 41.373 42.059 -1.301 0.000 0.939 849 L HN 0.519 nan 8.230 nan 0.000 0.451 850 F N -1.046 118.869 119.950 -0.059 0.000 2.601 850 F HA 0.559 5.093 4.527 0.012 0.000 0.309 850 F C -0.524 175.367 175.800 0.152 0.000 1.089 850 F CA -0.808 57.091 58.000 -0.168 0.000 0.940 850 F CB 2.008 40.505 39.000 -0.838 0.000 1.273 850 F HN -0.335 nan 8.300 nan 0.000 0.450 851 I N 1.553 122.334 120.570 0.351 0.000 2.466 851 I HA 0.372 4.549 4.170 0.012 0.000 0.289 851 I C -0.755 175.619 176.117 0.428 0.000 1.026 851 I CA -0.562 60.969 61.300 0.385 0.000 1.078 851 I CB 2.196 40.338 38.000 0.237 0.000 1.249 851 I HN 0.531 nan 8.210 nan 0.000 0.429 852 S N 6.831 122.880 115.700 0.583 0.000 2.530 852 S HA 0.570 5.047 4.470 0.012 0.000 0.322 852 S C -0.660 174.181 174.600 0.402 0.000 1.085 852 S CA -0.678 57.845 58.200 0.538 0.000 1.096 852 S CB 0.554 64.202 63.200 0.747 0.000 0.988 852 S HN 0.546 nan 8.310 nan 0.000 0.466 853 R N 3.575 124.234 120.500 0.267 0.000 2.437 853 R HA 0.589 4.936 4.340 0.012 0.000 0.310 853 R C -0.679 175.700 176.300 0.130 0.000 0.955 853 R CA -0.789 55.424 56.100 0.188 0.000 0.851 853 R CB 1.834 32.217 30.300 0.139 0.000 1.161 853 R HN 0.553 nan 8.270 nan 0.000 0.446 854 K N 0.704 121.174 120.400 0.118 0.000 2.466 854 K HA 0.485 4.812 4.320 0.012 0.000 0.260 854 K C -0.829 175.764 176.600 -0.012 0.000 1.011 854 K CA -0.940 55.343 56.287 -0.006 0.000 0.871 854 K CB 2.542 35.010 32.500 -0.055 0.000 1.404 854 K HN 0.643 nan 8.250 nan 0.000 0.450 855 T N -1.501 112.973 114.554 -0.132 0.000 2.893 855 T HA 0.565 4.922 4.350 0.012 0.000 0.293 855 T C -1.296 173.297 174.700 -0.179 0.000 1.027 855 T CA -0.767 61.298 62.100 -0.057 0.000 0.988 855 T CB 0.560 69.415 68.868 -0.022 0.000 1.043 855 T HN 0.390 nan 8.240 nan 0.000 0.461 856 Y N 0.791 121.072 120.300 -0.031 0.000 2.326 856 Y HA 0.598 5.155 4.550 0.012 0.000 0.331 856 Y C 0.471 176.310 175.900 -0.103 0.000 0.962 856 Y CA -1.136 56.958 58.100 -0.010 0.000 1.167 856 Y CB 1.705 40.204 38.460 0.066 0.000 1.148 856 Y HN 0.631 nan 8.280 nan 0.000 0.463 857 R N 4.784 125.316 120.500 0.053 0.000 2.288 857 R HA 0.601 4.948 4.340 0.012 0.000 0.326 857 R C -1.515 174.734 176.300 -0.084 0.000 0.959 857 R CA -0.375 55.704 56.100 -0.036 0.000 0.834 857 R CB 0.475 30.762 30.300 -0.022 0.000 1.157 857 R HN 0.785 nan 8.270 nan 0.000 0.470 858 I N 5.038 125.494 120.570 -0.191 0.000 2.339 858 I HA 0.173 4.350 4.170 0.012 0.000 0.290 858 I C -0.122 175.870 176.117 -0.209 0.000 0.994 858 I CA -0.745 60.361 61.300 -0.322 0.000 1.191 858 I CB 1.474 39.061 38.000 -0.688 0.000 1.343 858 I HN 0.675 nan 8.210 nan 0.000 0.458 859 D N 4.255 124.581 120.400 -0.124 0.000 2.487 859 D HA 0.243 4.890 4.640 0.012 0.000 0.262 859 D C 1.232 177.520 176.300 -0.020 0.000 1.130 859 D CA -0.737 53.227 54.000 -0.059 0.000 1.038 859 D CB 0.912 41.697 40.800 -0.025 0.000 1.142 859 D HN 0.483 nan 8.370 nan 0.000 0.575 860 G N -1.529 107.269 108.800 -0.004 0.000 2.708 860 G HA2 -0.093 3.874 3.960 0.012 0.000 0.210 860 G HA3 -0.093 3.874 3.960 0.012 0.000 0.210 860 G C 0.959 175.891 174.900 0.054 0.000 1.141 860 G CA 0.791 45.907 45.100 0.027 0.000 0.788 860 G HN 0.514 nan 8.290 nan 0.000 0.531 861 S N -1.357 114.375 115.700 0.053 0.000 2.556 861 S HA 0.396 4.873 4.470 0.012 0.000 0.216 861 S C 1.725 176.401 174.600 0.126 0.000 0.970 861 S CA 0.805 59.055 58.200 0.084 0.000 0.912 861 S CB 0.215 63.458 63.200 0.071 0.000 0.790 861 S HN 1.323 nan 8.310 nan 0.000 0.504 862 G N 0.939 109.830 108.800 0.152 0.000 2.159 862 G HA2 -0.222 3.745 3.960 0.012 0.000 0.256 862 G HA3 -0.222 3.745 3.960 0.012 0.000 0.256 862 G C -0.197 174.867 174.900 0.274 0.000 0.977 862 G CA 0.022 45.291 45.100 0.281 0.000 0.652 862 G HN 0.595 nan 8.290 nan 0.000 0.531 863 Q N -0.454 119.439 119.800 0.156 0.000 2.230 863 Q HA 0.628 4.975 4.340 0.012 0.000 0.248 863 Q C 0.123 176.187 176.000 0.107 0.000 0.915 863 Q CA -0.354 55.549 55.803 0.166 0.000 0.900 863 Q CB 1.768 30.581 28.738 0.125 0.000 1.229 863 Q HN 0.470 nan 8.270 nan 0.000 0.439 864 M N 1.683 121.390 119.600 0.177 0.000 2.125 864 M HA 0.503 4.990 4.480 0.012 0.000 0.321 864 M C -1.451 174.966 176.300 0.194 0.000 0.983 864 M CA -0.491 54.879 55.300 0.116 0.000 0.934 864 M CB 1.188 33.886 32.600 0.163 0.000 1.542 864 M HN 0.689 nan 8.290 nan 0.000 0.424 865 A N 7.016 129.910 122.820 0.122 0.000 2.252 865 A HA 0.654 4.981 4.320 0.012 0.000 0.309 865 A C -0.765 176.863 177.584 0.073 0.000 1.285 865 A CA -0.604 51.500 52.037 0.112 0.000 0.900 865 A CB 0.047 19.091 19.000 0.072 0.000 1.157 865 A HN 0.927 nan 8.150 nan 0.000 0.536 866 I N 2.601 123.204 120.570 0.055 0.000 2.339 866 I HA 0.287 4.464 4.170 0.012 0.000 0.290 866 I C -0.108 175.908 176.117 -0.168 0.000 0.994 866 I CA -0.158 61.069 61.300 -0.121 0.000 1.191 866 I CB 1.976 39.927 38.000 -0.081 0.000 1.343 866 I HN 0.490 nan 8.210 nan 0.000 0.458 867 T N 5.940 120.360 114.554 -0.224 0.000 2.771 867 T HA 0.507 4.864 4.350 0.012 0.000 0.281 867 T C -0.210 174.301 174.700 -0.316 0.000 0.982 867 T CA -0.450 61.519 62.100 -0.218 0.000 0.978 867 T CB 1.655 70.486 68.868 -0.060 0.000 0.930 867 T HN 0.193 nan 8.240 nan 0.000 0.447 868 V N 3.798 123.397 119.914 -0.525 0.000 2.540 868 V HA 0.489 4.616 4.120 0.012 0.000 0.302 868 V C -0.576 175.351 176.094 -0.278 0.000 1.035 868 V CA -0.883 61.126 62.300 -0.485 0.000 0.873 868 V CB 1.995 33.224 31.823 -0.990 0.000 0.992 868 V HN 0.852 nan 8.190 nan 0.000 0.428 869 D N 3.293 123.693 120.400 -0.001 0.000 2.549 869 D HA 0.505 5.152 4.640 0.012 0.000 0.251 869 D C -1.077 175.346 176.300 0.204 0.000 1.153 869 D CA -0.095 53.998 54.000 0.155 0.000 0.861 869 D CB 2.732 43.647 40.800 0.192 0.000 1.207 869 D HN 0.254 nan 8.370 nan 0.000 0.543 870 V N 2.259 122.331 119.914 0.264 0.000 2.628 870 V HA 0.320 4.447 4.120 0.012 0.000 0.306 870 V C 0.051 176.291 176.094 0.243 0.000 1.045 870 V CA -0.704 61.767 62.300 0.285 0.000 0.905 870 V CB 2.474 34.507 31.823 0.350 0.000 0.997 870 V HN 0.365 nan 8.190 nan 0.000 0.436 871 E N 2.376 122.704 120.200 0.215 0.000 2.171 871 E HA 0.606 4.963 4.350 0.012 0.000 0.271 871 E C -1.527 175.187 176.600 0.190 0.000 0.916 871 E CA -0.579 55.926 56.400 0.175 0.000 0.774 871 E CB 2.559 32.343 29.700 0.140 0.000 1.128 871 E HN 0.398 nan 8.360 nan 0.000 0.403 872 V N 2.280 122.312 119.914 0.197 0.000 2.409 872 V HA 0.361 4.488 4.120 0.012 0.000 0.291 872 V C 0.127 176.311 176.094 0.150 0.000 1.020 872 V CA -0.881 61.556 62.300 0.227 0.000 0.848 872 V CB 1.465 33.464 31.823 0.293 0.000 0.990 872 V HN 0.841 nan 8.190 nan 0.000 0.430 873 A N 3.637 126.498 122.820 0.068 0.000 2.567 873 A HA 0.237 4.564 4.320 0.012 0.000 0.240 873 A C 1.608 179.260 177.584 0.114 0.000 1.053 873 A CA 0.654 52.725 52.037 0.057 0.000 0.755 873 A CB 0.212 19.209 19.000 -0.005 0.000 0.978 873 A HN 1.342 nan 8.150 nan 0.000 0.507 874 S N 1.192 116.957 115.700 0.109 0.000 2.447 874 S HA -0.144 4.333 4.470 0.012 0.000 0.233 874 S C 0.887 175.567 174.600 0.133 0.000 1.006 874 S CA 1.236 59.522 58.200 0.144 0.000 0.957 874 S CB -0.267 62.998 63.200 0.107 0.000 0.773 874 S HN 0.828 nan 8.310 nan 0.000 0.507 875 D N 0.319 120.770 120.400 0.086 0.000 2.328 875 D HA 0.137 4.784 4.640 0.012 0.000 0.221 875 D C 0.497 176.830 176.300 0.056 0.000 1.072 875 D CA 0.039 54.073 54.000 0.056 0.000 0.850 875 D CB -0.385 40.436 40.800 0.035 0.000 0.922 875 D HN 0.297 nan 8.370 nan 0.000 0.516 876 T N 1.290 115.903 114.554 0.099 0.000 2.928 876 T HA 0.409 4.766 4.350 0.012 0.000 0.284 876 T C -2.613 172.194 174.700 0.178 0.000 1.008 876 T CA -2.012 60.173 62.100 0.142 0.000 1.057 876 T CB 1.207 70.177 68.868 0.170 0.000 1.018 876 T HN -0.154 nan 8.240 nan 0.000 0.493 877 P HA 0.088 nan 4.420 nan 0.000 0.266 877 P C -0.588 177.024 177.300 0.521 0.000 1.195 877 P CA 0.097 63.306 63.100 0.181 0.000 0.768 877 P CB -0.045 31.757 31.700 0.170 0.000 0.838 878 H N 3.454 122.901 119.070 0.628 0.000 3.001 878 H HA 0.074 4.637 4.556 0.012 0.000 0.334 878 H C -1.607 174.067 175.328 0.577 0.000 1.034 878 H CA -1.242 55.113 56.048 0.512 0.000 1.420 878 H CB -0.422 29.584 29.762 0.406 0.000 1.405 878 H HN 0.382 nan 8.280 nan 0.000 0.593 879 P HA 0.052 nan 4.420 nan 0.000 0.279 879 P C 0.097 177.289 177.300 -0.181 0.000 1.252 879 P CA -0.381 62.782 63.100 0.106 0.000 0.811 879 P CB 1.202 32.815 31.700 -0.146 0.000 1.035 880 A N 2.817 125.254 122.820 -0.640 0.000 1.933 880 A HA -0.101 4.226 4.320 0.012 0.000 0.218 880 A C 1.032 178.223 177.584 -0.655 0.000 1.175 880 A CA 1.415 53.037 52.037 -0.692 0.000 0.628 880 A CB -0.548 17.821 19.000 -1.051 0.000 0.814 880 A HN 0.746 nan 8.150 nan 0.000 0.444 881 R N -2.867 117.285 120.500 -0.580 0.000 2.733 881 R HA 0.741 5.088 4.340 0.012 0.000 0.272 881 R C -1.641 174.414 176.300 -0.408 0.000 1.029 881 R CA -0.815 54.968 56.100 -0.529 0.000 0.888 881 R CB 0.868 30.830 30.300 -0.564 0.000 1.251 881 R HN -0.001 nan 8.270 nan 0.000 0.464 882 I N 1.051 121.416 120.570 -0.341 0.000 2.493 882 I HA 0.651 4.828 4.170 0.012 0.000 0.279 882 I C -0.452 175.430 176.117 -0.391 0.000 1.045 882 I CA -0.418 60.709 61.300 -0.289 0.000 1.106 882 I CB 1.810 39.714 38.000 -0.160 0.000 1.216 882 I HN 0.972 nan 8.210 nan 0.000 0.459 883 G N 5.943 114.454 108.800 -0.481 0.000 2.634 883 G HA2 0.742 4.709 3.960 0.012 0.000 0.309 883 G HA3 0.742 4.709 3.960 0.012 0.000 0.309 883 G C -1.737 172.994 174.900 -0.281 0.000 1.299 883 G CA -0.565 44.292 45.100 -0.405 0.000 0.798 883 G HN 0.280 nan 8.290 nan 0.000 0.490 884 L N 0.750 121.860 121.223 -0.188 0.000 2.333 884 L HA 0.654 5.001 4.340 0.012 0.000 0.263 884 L C -0.767 176.006 176.870 -0.161 0.000 1.014 884 L CA -1.150 53.611 54.840 -0.132 0.000 0.820 884 L CB 2.532 44.596 42.059 0.010 0.000 1.352 884 L HN 0.810 nan 8.230 nan 0.000 0.421 885 N N 0.580 119.213 118.700 -0.113 0.000 2.610 885 N HA 0.690 5.437 4.740 0.012 0.000 0.264 885 N C -1.324 174.197 175.510 0.018 0.000 1.348 885 N CA -0.502 52.515 53.050 -0.055 0.000 0.819 885 N CB 2.433 40.894 38.487 -0.044 0.000 1.521 885 N HN 0.839 nan 8.380 nan 0.000 0.497 886 C N -1.187 118.145 119.300 0.053 0.000 3.307 886 C HA 0.560 5.027 4.460 0.012 0.000 0.333 886 C C -1.078 173.749 174.990 -0.272 0.000 1.291 886 C CA -0.849 58.148 59.018 -0.035 0.000 1.273 886 C CB 0.980 28.724 27.740 0.006 0.000 1.580 886 C HN 0.843 nan 8.230 nan 0.000 0.481 887 Q N 1.469 120.861 119.800 -0.680 0.000 2.368 887 Q HA 0.637 4.984 4.340 0.012 0.000 0.256 887 Q C -0.931 174.776 176.000 -0.489 0.000 0.980 887 Q CA -0.404 54.748 55.803 -1.084 0.000 0.887 887 Q CB 0.802 28.532 28.738 -1.679 0.000 1.221 887 Q HN 0.766 nan 8.270 nan 0.000 0.458 888 L N 2.512 123.556 121.223 -0.298 0.000 2.417 888 L HA 0.233 4.580 4.340 0.012 0.000 0.268 888 L C 1.193 178.002 176.870 -0.101 0.000 1.158 888 L CA -0.170 54.617 54.840 -0.090 0.000 0.819 888 L CB 0.789 42.902 42.059 0.090 0.000 1.112 888 L HN 0.809 nan 8.230 nan 0.000 0.458 889 A N 2.016 124.803 122.820 -0.055 0.000 2.014 889 A HA -0.096 4.231 4.320 0.012 0.000 0.218 889 A C 1.054 178.627 177.584 -0.017 0.000 1.163 889 A CA 0.579 52.576 52.037 -0.066 0.000 0.652 889 A CB -0.246 18.704 19.000 -0.084 0.000 0.808 889 A HN 0.797 nan 8.150 nan 0.000 0.449 890 Q N -0.195 119.632 119.800 0.045 0.000 2.299 890 Q HA 0.471 4.818 4.340 0.012 0.000 0.246 890 Q C -1.240 174.800 176.000 0.066 0.000 0.935 890 Q CA -0.086 55.733 55.803 0.025 0.000 0.887 890 Q CB 1.158 29.910 28.738 0.023 0.000 1.223 890 Q HN 0.093 nan 8.270 nan 0.000 0.439 891 V N 3.259 123.176 119.914 0.006 0.000 2.376 891 V HA 0.772 4.899 4.120 0.012 0.000 0.287 891 V C -0.619 175.447 176.094 -0.047 0.000 1.015 891 V CA -0.315 62.021 62.300 0.059 0.000 0.834 891 V CB 0.895 32.739 31.823 0.034 0.000 1.001 891 V HN 0.899 nan 8.190 nan 0.000 0.428 892 A N 3.315 126.063 122.820 -0.119 0.000 2.354 892 A HA 0.724 5.051 4.320 0.012 0.000 0.321 892 A C 0.672 178.266 177.584 0.018 0.000 1.125 892 A CA -0.519 51.374 52.037 -0.239 0.000 0.799 892 A CB 1.225 19.795 19.000 -0.717 0.000 1.293 892 A HN 0.800 nan 8.150 nan 0.000 0.452 893 E N 0.180 120.383 120.200 0.004 0.000 2.152 893 E HA -0.046 4.311 4.350 0.012 0.000 0.192 893 E C 0.153 176.827 176.600 0.124 0.000 0.983 893 E CA 0.713 57.151 56.400 0.062 0.000 0.818 893 E CB 0.110 29.827 29.700 0.029 0.000 0.758 893 E HN 0.428 nan 8.360 nan 0.000 0.467 894 R N 0.253 120.836 120.500 0.138 0.000 2.888 894 R HA 0.555 4.902 4.340 0.012 0.000 0.266 894 R C -0.757 175.733 176.300 0.317 0.000 1.020 894 R CA -0.901 55.314 56.100 0.192 0.000 0.963 894 R CB 1.809 32.191 30.300 0.136 0.000 1.197 894 R HN -0.173 nan 8.270 nan 0.000 0.481 895 V N 1.729 121.839 119.914 0.327 0.000 2.577 895 V HA 0.376 4.503 4.120 0.012 0.000 0.303 895 V C -0.451 175.915 176.094 0.453 0.000 1.042 895 V CA -0.944 61.588 62.300 0.386 0.000 0.872 895 V CB 1.974 33.969 31.823 0.287 0.000 0.998 895 V HN 0.656 nan 8.190 nan 0.000 0.423 896 N N 4.475 123.418 118.700 0.405 0.000 2.346 896 N HA 0.534 5.281 4.740 0.012 0.000 0.289 896 N C -1.368 174.387 175.510 0.408 0.000 1.027 896 N CA -0.437 52.819 53.050 0.344 0.000 0.864 896 N CB 2.607 41.191 38.487 0.162 0.000 1.370 896 N HN 0.816 nan 8.380 nan 0.000 0.481 897 W N 3.221 124.552 121.300 0.052 0.000 3.083 897 W HA 0.602 5.269 4.660 0.011 0.000 0.333 897 W C -1.951 174.522 176.519 -0.077 0.000 1.217 897 W CA -1.146 56.199 57.345 0.000 0.000 1.170 897 W CB 0.766 30.247 29.460 0.036 0.000 1.437 897 W HN 0.222 nan 8.180 nan 0.000 0.557 898 L N 4.100 125.283 121.223 -0.067 0.000 2.301 898 L HA 0.905 5.252 4.340 0.012 0.000 0.278 898 L C -0.016 176.642 176.870 -0.354 0.000 1.022 898 L CA 0.273 54.885 54.840 -0.379 0.000 0.854 898 L CB 0.542 42.489 42.059 -0.188 0.000 1.226 898 L HN 0.969 nan 8.230 nan 0.000 0.429 899 G N 3.671 112.118 108.800 -0.588 0.000 2.335 899 G HA2 0.219 4.186 3.960 0.012 0.000 0.291 899 G HA3 0.219 4.186 3.960 0.012 0.000 0.291 899 G C -1.602 173.295 174.900 -0.005 0.000 1.261 899 G CA -1.066 43.931 45.100 -0.171 0.000 0.871 899 G HN 0.423 nan 8.290 nan 0.000 0.491 900 L N 0.926 122.296 121.223 0.244 0.000 2.416 900 L HA 0.576 4.923 4.340 0.012 0.000 0.272 900 L C 1.110 178.084 176.870 0.174 0.000 1.161 900 L CA 0.892 55.851 54.840 0.198 0.000 0.845 900 L CB 0.585 42.714 42.059 0.117 0.000 1.119 900 L HN 1.159 nan 8.230 nan 0.000 0.464 901 G N 2.739 111.422 108.800 -0.195 0.000 2.341 901 G HA2 0.264 4.231 3.960 0.012 0.000 0.299 901 G HA3 0.264 4.231 3.960 0.012 0.000 0.299 901 G C -2.760 171.297 174.900 -1.406 0.000 1.274 901 G CA -0.276 44.347 45.100 -0.795 0.000 0.853 901 G HN 0.320 nan 8.290 nan 0.000 0.493 902 P HA 0.096 nan 4.420 nan 0.000 0.239 902 P C 0.421 177.538 177.300 -0.305 0.000 1.188 902 P CA 0.544 62.982 63.100 -1.103 0.000 0.794 902 P CB 0.517 31.707 31.700 -0.850 0.000 0.937 903 Q N 0.589 120.200 119.800 -0.314 0.000 2.317 903 Q HA 0.142 4.489 4.340 0.012 0.000 0.229 903 Q C 0.390 176.284 176.000 -0.176 0.000 0.984 903 Q CA -0.590 55.103 55.803 -0.183 0.000 0.911 903 Q CB 0.703 29.351 28.738 -0.149 0.000 1.217 903 Q HN 0.140 nan 8.270 nan 0.000 0.501 904 E N 1.397 121.498 120.200 -0.165 0.000 2.608 904 E HA -0.137 4.220 4.350 0.012 0.000 0.259 904 E C -1.133 175.385 176.600 -0.137 0.000 0.951 904 E CA 0.361 56.651 56.400 -0.184 0.000 0.945 904 E CB 0.214 29.870 29.700 -0.074 0.000 0.916 904 E HN 0.600 nan 8.360 nan 0.000 0.477 905 N N 2.751 121.293 118.700 -0.263 0.000 2.367 905 N HA 0.320 5.067 4.740 0.012 0.000 0.278 905 N C -1.857 173.435 175.510 -0.363 0.000 1.117 905 N CA -0.683 52.266 53.050 -0.168 0.000 0.867 905 N CB 0.730 39.142 38.487 -0.125 0.000 1.649 905 N HN 0.227 nan 8.380 nan 0.000 0.479 906 Y N 0.180 120.393 120.300 -0.145 0.000 2.630 906 Y HA 0.506 5.063 4.550 0.012 0.000 0.337 906 Y C -1.635 174.195 175.900 -0.118 0.000 1.051 906 Y CA -2.082 55.922 58.100 -0.162 0.000 1.121 906 Y CB 1.906 40.268 38.460 -0.163 0.000 1.299 906 Y HN 0.446 nan 8.280 nan 0.000 0.498 907 P HA -0.177 nan 4.420 nan 0.000 0.216 907 P C 0.349 177.511 177.300 -0.230 0.000 1.150 907 P CA 2.137 65.270 63.100 0.055 0.000 0.843 907 P CB 0.212 32.060 31.700 0.248 0.000 0.787 908 D N -2.446 117.626 120.400 -0.547 0.000 2.340 908 D HA 0.010 4.657 4.640 0.012 0.000 0.217 908 D C 0.745 176.893 176.300 -0.253 0.000 1.081 908 D CA 0.102 53.578 54.000 -0.873 0.000 0.842 908 D CB -0.252 39.822 40.800 -1.210 0.000 0.934 908 D HN 0.119 nan 8.370 nan 0.000 0.511 909 R N 1.109 121.560 120.500 -0.081 0.000 2.638 909 R HA 0.198 4.545 4.340 0.012 0.000 0.261 909 R C -0.598 175.734 176.300 0.053 0.000 1.515 909 R CA -0.176 55.941 56.100 0.027 0.000 1.623 909 R CB 0.074 30.396 30.300 0.036 0.000 1.347 909 R HN 0.095 nan 8.270 nan 0.000 0.705 910 L N -1.674 119.588 121.223 0.064 0.000 3.298 910 L HA 0.343 4.690 4.340 0.012 0.000 0.296 910 L C 1.270 178.200 176.870 0.099 0.000 1.237 910 L CA 0.058 54.936 54.840 0.063 0.000 1.038 910 L CB 0.142 42.228 42.059 0.044 0.000 1.423 910 L HN 0.077 nan 8.230 nan 0.000 0.605 911 T N -2.787 111.854 114.554 0.145 0.000 2.867 911 T HA 0.016 4.373 4.350 0.012 0.000 0.268 911 T C 1.777 176.531 174.700 0.089 0.000 1.057 911 T CA 1.267 63.476 62.100 0.183 0.000 1.136 911 T CB -0.313 68.720 68.868 0.274 0.000 0.874 911 T HN 0.389 nan 8.240 nan 0.000 0.466 912 A N 1.607 124.485 122.820 0.096 0.000 2.067 912 A HA 0.640 4.967 4.320 0.012 0.000 0.217 912 A C 1.630 179.296 177.584 0.136 0.000 1.156 912 A CA 0.523 52.576 52.037 0.026 0.000 0.683 912 A CB -0.929 18.217 19.000 0.244 0.000 0.808 912 A HN 0.829 nan 8.150 nan 0.000 0.455 913 A N -1.128 121.723 122.820 0.050 0.000 2.386 913 A HA 0.454 4.781 4.320 0.012 0.000 0.248 913 A C 0.014 177.616 177.584 0.029 0.000 1.082 913 A CA -0.050 51.975 52.037 -0.020 0.000 0.789 913 A CB -0.085 18.895 19.000 -0.033 0.000 1.025 913 A HN 0.481 nan 8.150 nan 0.000 0.490 914 C N 0.445 119.756 119.300 0.018 0.000 2.561 914 C HA 0.551 5.018 4.460 0.012 0.000 0.319 914 C C -0.147 174.932 174.990 0.147 0.000 1.198 914 C CA -0.510 58.565 59.018 0.095 0.000 1.665 914 C CB 0.834 28.649 27.740 0.125 0.000 2.258 914 C HN 0.792 nan 8.230 nan 0.000 0.493 915 F N 3.664 123.425 119.950 -0.315 0.000 2.445 915 F HA 0.488 5.022 4.527 0.012 0.000 0.359 915 F C 0.348 175.807 175.800 -0.568 0.000 1.101 915 F CA 1.169 58.856 58.000 -0.522 0.000 1.177 915 F CB 0.027 38.180 39.000 -1.412 0.000 1.110 915 F HN 0.634 nan 8.300 nan 0.000 0.522 916 D N 3.409 123.199 120.400 -1.016 0.000 2.865 916 D HA 0.175 4.822 4.640 0.012 0.000 0.343 916 D C -1.661 173.733 176.300 -1.509 0.000 1.372 916 D CA -0.729 52.565 54.000 -1.176 0.000 0.862 916 D CB 1.509 41.524 40.800 -1.309 0.000 1.425 916 D HN 0.513 nan 8.370 nan 0.000 0.501 917 R N 0.726 120.449 120.500 -1.295 0.000 2.207 917 R HA 0.518 4.865 4.340 0.012 0.000 0.334 917 R C -1.348 174.216 176.300 -1.227 0.000 1.013 917 R CA -0.241 55.248 56.100 -1.018 0.000 0.858 917 R CB 0.268 30.231 30.300 -0.563 0.000 1.094 917 R HN 0.276 nan 8.270 nan 0.000 0.457 918 W N 2.552 123.337 121.300 -0.859 0.000 2.639 918 W HA 0.430 5.097 4.660 0.012 0.000 0.347 918 W C -0.449 175.718 176.519 -0.587 0.000 1.067 918 W CA -0.654 56.145 57.345 -0.910 0.000 1.218 918 W CB 1.661 30.070 29.460 -1.752 0.000 1.393 918 W HN 0.386 nan 8.180 nan 0.000 0.557 919 D N 2.425 122.799 120.400 -0.043 0.000 2.613 919 D HA 0.402 5.049 4.640 0.012 0.000 0.230 919 D C -1.539 174.862 176.300 0.169 0.000 1.365 919 D CA -0.145 53.916 54.000 0.101 0.000 0.976 919 D CB 0.998 41.812 40.800 0.023 0.000 1.415 919 D HN 0.362 nan 8.370 nan 0.000 0.589 920 L N 2.999 124.394 121.223 0.286 0.000 2.327 920 L HA 0.581 4.928 4.340 0.012 0.000 0.258 920 L C -2.278 174.710 176.870 0.196 0.000 1.024 920 L CA -2.184 52.796 54.840 0.233 0.000 0.825 920 L CB 2.640 44.884 42.059 0.308 0.000 1.386 920 L HN 0.176 nan 8.230 nan 0.000 0.417 921 P HA 0.041 nan 4.420 nan 0.000 0.271 921 P C 0.546 177.925 177.300 0.132 0.000 1.218 921 P CA -0.376 62.797 63.100 0.121 0.000 0.780 921 P CB 0.901 32.651 31.700 0.084 0.000 0.901 922 L N 3.422 124.729 121.223 0.140 0.000 2.051 922 L HA -0.276 4.071 4.340 0.012 0.000 0.214 922 L C 2.255 179.176 176.870 0.086 0.000 1.076 922 L CA 2.850 57.764 54.840 0.123 0.000 0.758 922 L CB -1.555 40.591 42.059 0.146 0.000 0.890 922 L HN 0.469 nan 8.230 nan 0.000 0.433 923 S N -1.915 113.838 115.700 0.088 0.000 2.442 923 S HA -0.175 4.302 4.470 0.012 0.000 0.236 923 S C 1.603 176.275 174.600 0.120 0.000 1.007 923 S CA 1.123 59.391 58.200 0.114 0.000 0.965 923 S CB -0.786 62.477 63.200 0.105 0.000 0.773 923 S HN 0.534 nan 8.310 nan 0.000 0.504 924 D N 1.064 121.511 120.400 0.079 0.000 2.371 924 D HA 0.096 4.743 4.640 0.012 0.000 0.221 924 D C 1.216 177.522 176.300 0.010 0.000 0.986 924 D CA 0.602 54.627 54.000 0.042 0.000 0.899 924 D CB -0.134 40.698 40.800 0.053 0.000 0.902 924 D HN 0.378 nan 8.370 nan 0.000 0.530 925 M N -0.498 119.117 119.600 0.024 0.000 2.495 925 M HA 0.060 4.547 4.480 0.012 0.000 0.237 925 M C -0.073 176.228 176.300 0.002 0.000 1.131 925 M CA -0.012 55.255 55.300 -0.055 0.000 1.032 925 M CB -0.687 31.872 32.600 -0.069 0.000 1.513 925 M HN -0.045 nan 8.290 nan 0.000 0.488 926 Y N -0.090 120.175 120.300 -0.058 0.000 2.409 926 Y HA 0.515 5.072 4.550 0.012 0.000 0.343 926 Y C -0.814 175.056 175.900 -0.050 0.000 0.973 926 Y CA -1.093 56.997 58.100 -0.016 0.000 1.064 926 Y CB 1.297 39.810 38.460 0.088 0.000 1.207 926 Y HN -0.142 nan 8.280 nan 0.000 0.452 927 T N 8.946 123.085 114.554 -0.692 0.000 2.758 927 T HA 0.306 4.663 4.350 0.012 0.000 0.285 927 T C -2.713 171.301 174.700 -1.144 0.000 0.981 927 T CA -1.500 60.120 62.100 -0.800 0.000 0.965 927 T CB 1.158 69.612 68.868 -0.689 0.000 0.927 927 T HN 0.459 nan 8.240 nan 0.000 0.448 928 P HA 0.165 nan 4.420 nan 0.000 0.220 928 P C -0.637 176.655 177.300 -0.012 0.000 1.806 928 P CA -0.489 62.268 63.100 -0.572 0.000 0.976 928 P CB -0.666 30.827 31.700 -0.345 0.000 1.952 929 Y N -0.177 120.179 120.300 0.093 0.000 2.712 929 Y HA -0.111 4.446 4.550 0.012 0.000 0.333 929 Y C 2.296 178.323 175.900 0.211 0.000 1.225 929 Y CA -0.490 57.731 58.100 0.201 0.000 1.499 929 Y CB 0.560 39.025 38.460 0.008 0.000 1.288 929 Y HN -0.066 nan 8.280 nan 0.000 0.575 930 V N 3.484 123.685 119.914 0.477 0.000 2.287 930 V HA -0.315 3.812 4.120 0.012 0.000 0.248 930 V C 0.574 176.858 176.094 0.317 0.000 1.053 930 V CA 1.492 64.027 62.300 0.390 0.000 1.027 930 V CB -0.517 31.561 31.823 0.426 0.000 0.646 930 V HN 0.594 nan 8.190 nan 0.000 0.447 931 F N 3.174 123.178 119.950 0.091 0.000 2.350 931 F HA 0.487 5.022 4.527 0.012 0.000 0.365 931 F C -2.434 173.367 175.800 0.002 0.000 1.122 931 F CA -3.338 54.648 58.000 -0.023 0.000 1.139 931 F CB 0.576 39.432 39.000 -0.239 0.000 1.220 931 F HN 0.019 nan 8.300 nan 0.000 0.499 932 P HA 0.222 nan 4.420 nan 0.000 0.269 932 P C -0.973 176.048 177.300 -0.465 0.000 1.209 932 P CA 0.124 63.014 63.100 -0.351 0.000 0.776 932 P CB 1.189 32.687 31.700 -0.336 0.000 0.876 933 S N 0.100 115.708 115.700 -0.153 0.000 2.727 933 S HA 0.473 4.950 4.470 0.012 0.000 0.278 933 S C -0.790 173.808 174.600 -0.004 0.000 1.186 933 S CA -0.938 57.202 58.200 -0.100 0.000 0.836 933 S CB 0.447 63.613 63.200 -0.056 0.000 1.186 933 S HN 0.338 nan 8.310 nan 0.000 0.499 934 E N 1.134 121.340 120.200 0.009 0.000 2.452 934 E HA 0.380 4.737 4.350 0.012 0.000 0.261 934 E C -0.226 176.434 176.600 0.099 0.000 0.987 934 E CA 0.705 57.139 56.400 0.056 0.000 0.926 934 E CB -0.205 29.549 29.700 0.089 0.000 0.934 934 E HN 0.799 nan 8.360 nan 0.000 0.452 935 N N 1.345 120.141 118.700 0.161 0.000 3.185 935 N HA 0.482 5.229 4.740 0.012 0.000 0.238 935 N C 0.150 175.728 175.510 0.113 0.000 1.451 935 N CA -0.597 52.593 53.050 0.233 0.000 0.888 935 N CB 0.918 39.545 38.487 0.233 0.000 1.413 935 N HN 0.737 nan 8.380 nan 0.000 0.511 936 G N -1.273 107.550 108.800 0.038 0.000 2.179 936 G HA2 -0.263 3.704 3.960 0.012 0.000 0.260 936 G HA3 -0.263 3.704 3.960 0.012 0.000 0.260 936 G C -0.200 174.437 174.900 -0.439 0.000 0.977 936 G CA 0.343 45.339 45.100 -0.173 0.000 0.641 936 G HN 0.708 nan 8.290 nan 0.000 0.533 937 L N 0.215 121.106 121.223 -0.553 0.000 2.506 937 L HA 0.634 4.981 4.340 0.012 0.000 0.281 937 L C 0.666 176.950 176.870 -0.977 0.000 1.228 937 L CA 0.490 54.759 54.840 -0.951 0.000 0.850 937 L CB 0.502 41.662 42.059 -1.498 0.000 1.110 937 L HN 0.268 nan 8.230 nan 0.000 0.496 938 R N 2.497 122.334 120.500 -1.105 0.000 2.561 938 R HA 0.511 4.858 4.340 0.012 0.000 0.297 938 R C -0.967 174.982 176.300 -0.585 0.000 0.969 938 R CA -0.288 55.305 56.100 -0.845 0.000 0.879 938 R CB 1.472 31.154 30.300 -1.030 0.000 1.178 938 R HN 0.685 nan 8.270 nan 0.000 0.445 939 C N 0.211 119.325 119.300 -0.310 0.000 2.380 939 C HA 0.715 5.182 4.460 0.012 0.000 0.393 939 C C 1.290 176.269 174.990 -0.019 0.000 1.284 939 C CA 0.045 58.961 59.018 -0.169 0.000 2.033 939 C CB 1.335 29.000 27.740 -0.125 0.000 2.165 939 C HN 1.024 nan 8.230 nan 0.000 0.540 940 G N 1.730 110.533 108.800 0.004 0.000 2.341 940 G HA2 -0.191 3.776 3.960 0.012 0.000 0.292 940 G HA3 -0.191 3.776 3.960 0.012 0.000 0.292 940 G C -0.023 174.948 174.900 0.118 0.000 1.021 940 G CA 0.655 45.811 45.100 0.092 0.000 0.905 940 G HN 0.789 nan 8.290 nan 0.000 0.508 941 T N -0.126 114.371 114.554 -0.095 0.000 2.845 941 T HA 0.513 4.870 4.350 0.012 0.000 0.288 941 T C 1.383 175.785 174.700 -0.496 0.000 0.980 941 T CA -0.587 61.394 62.100 -0.197 0.000 1.071 941 T CB 1.262 70.023 68.868 -0.179 0.000 0.941 941 T HN 0.225 nan 8.240 nan 0.000 0.487 942 R N 1.528 121.940 120.500 -0.147 0.000 2.254 942 R HA 0.297 4.644 4.340 0.012 0.000 0.193 942 R C 0.535 176.861 176.300 0.045 0.000 0.929 942 R CA 0.227 56.310 56.100 -0.029 0.000 1.038 942 R CB 0.372 30.789 30.300 0.195 0.000 1.009 942 R HN 0.697 nan 8.270 nan 0.000 0.512 943 E N 0.466 120.700 120.200 0.056 0.000 2.354 943 E HA 0.315 4.672 4.350 0.012 0.000 0.283 943 E C -1.878 174.853 176.600 0.219 0.000 0.938 943 E CA -0.656 55.864 56.400 0.200 0.000 0.777 943 E CB 1.554 31.336 29.700 0.137 0.000 1.222 943 E HN -0.090 nan 8.360 nan 0.000 0.423 944 L N 4.057 125.479 121.223 0.332 0.000 2.385 944 L HA 0.587 4.934 4.340 0.012 0.000 0.273 944 L C -1.794 175.278 176.870 0.337 0.000 0.990 944 L CA -0.412 54.562 54.840 0.224 0.000 0.821 944 L CB 1.699 43.743 42.059 -0.023 0.000 1.279 944 L HN 0.470 nan 8.230 nan 0.000 0.412 945 N N 4.608 123.471 118.700 0.272 0.000 2.354 945 N HA 0.382 5.129 4.740 0.012 0.000 0.287 945 N C -1.961 173.770 175.510 0.367 0.000 1.016 945 N CA -0.271 52.928 53.050 0.249 0.000 0.871 945 N CB 2.152 40.729 38.487 0.151 0.000 1.299 945 N HN 0.578 nan 8.380 nan 0.000 0.482 946 Y N 1.310 121.741 120.300 0.218 0.000 2.307 946 Y HA 0.403 4.960 4.550 0.012 0.000 0.323 946 Y C 0.622 176.619 175.900 0.163 0.000 1.100 946 Y CA 0.065 58.300 58.100 0.226 0.000 1.140 946 Y CB 0.595 39.264 38.460 0.348 0.000 1.159 946 Y HN 0.862 nan 8.280 nan 0.000 0.436 947 G N 6.578 115.195 108.800 -0.305 0.000 2.583 947 G HA2 -0.292 3.675 3.960 0.012 0.000 0.292 947 G HA3 -0.292 3.675 3.960 0.012 0.000 0.292 947 G C -1.821 172.952 174.900 -0.213 0.000 1.203 947 G CA 0.101 45.017 45.100 -0.307 0.000 0.987 947 G HN 0.557 nan 8.290 nan 0.000 0.554 948 P HA 0.170 nan 4.420 nan 0.000 0.255 948 P C 0.223 177.281 177.300 -0.403 0.000 1.248 948 P CA 0.663 63.556 63.100 -0.345 0.000 0.807 948 P CB 0.016 31.455 31.700 -0.435 0.000 1.150 949 H N 0.343 119.317 119.070 -0.160 0.000 2.482 949 H HA 0.459 5.022 4.556 0.012 0.000 0.344 949 H C -0.088 174.919 175.328 -0.535 0.000 1.151 949 H CA -0.078 55.724 56.048 -0.410 0.000 1.300 949 H CB 1.627 30.828 29.762 -0.935 0.000 1.494 949 H HN 0.066 nan 8.280 nan 0.000 0.542 950 Q N 2.267 121.769 119.800 -0.496 0.000 2.305 950 Q HA 0.238 4.585 4.340 0.012 0.000 0.271 950 Q C -1.614 174.109 176.000 -0.463 0.000 1.046 950 Q CA -0.713 54.910 55.803 -0.299 0.000 0.798 950 Q CB 2.022 30.723 28.738 -0.063 0.000 1.286 950 Q HN 0.574 nan 8.270 nan 0.000 0.435 951 W N 3.976 125.225 121.300 -0.087 0.000 2.587 951 W HA 0.568 5.235 4.660 0.012 0.000 0.324 951 W C -0.237 176.361 176.519 0.132 0.000 1.040 951 W CA -0.758 56.504 57.345 -0.138 0.000 1.222 951 W CB 1.914 31.092 29.460 -0.470 0.000 1.381 951 W HN 0.514 nan 8.180 nan 0.000 0.483 952 R N 0.923 121.658 120.500 0.391 0.000 2.670 952 R HA 0.785 5.132 4.340 0.012 0.000 0.289 952 R C 0.214 176.799 176.300 0.474 0.000 0.965 952 R CA -0.466 55.885 56.100 0.418 0.000 0.899 952 R CB 2.359 32.812 30.300 0.256 0.000 1.173 952 R HN 0.747 nan 8.270 nan 0.000 0.456 953 G N 0.708 109.796 108.800 0.480 0.000 2.566 953 G HA2 0.030 3.997 3.960 0.012 0.000 0.138 953 G HA3 0.030 3.997 3.960 0.012 0.000 0.138 953 G C -1.758 173.294 174.900 0.253 0.000 1.133 953 G CA -0.309 45.041 45.100 0.417 0.000 1.037 953 G HN 0.479 nan 8.290 nan 0.000 0.491 954 D N 0.020 120.572 120.400 0.252 0.000 2.381 954 D HA 0.577 5.224 4.640 0.012 0.000 0.245 954 D C -0.796 175.530 176.300 0.043 0.000 1.297 954 D CA -0.461 53.568 54.000 0.049 0.000 0.931 954 D CB 0.232 41.089 40.800 0.094 0.000 1.334 954 D HN 0.522 nan 8.370 nan 0.000 0.535 955 F N -0.241 119.711 119.950 0.002 0.000 2.726 955 F HA 0.719 5.253 4.527 0.012 0.000 0.324 955 F C -1.070 174.693 175.800 -0.062 0.000 1.140 955 F CA -1.026 56.910 58.000 -0.106 0.000 0.964 955 F CB 0.752 39.693 39.000 -0.100 0.000 1.399 955 F HN -0.171 nan 8.300 nan 0.000 0.491 956 Q N 1.586 121.468 119.800 0.137 0.000 2.345 956 Q HA 0.643 4.990 4.340 0.012 0.000 0.268 956 Q C -1.279 174.793 176.000 0.119 0.000 1.054 956 Q CA -0.508 55.292 55.803 -0.005 0.000 0.835 956 Q CB 2.682 31.315 28.738 -0.176 0.000 1.339 956 Q HN 0.853 nan 8.270 nan 0.000 0.447 957 F N -1.069 118.765 119.950 -0.193 0.000 2.686 957 F HA 0.744 5.278 4.527 0.012 0.000 0.311 957 F C -1.428 174.154 175.800 -0.364 0.000 1.128 957 F CA -1.133 56.715 58.000 -0.253 0.000 0.946 957 F CB 1.573 40.447 39.000 -0.209 0.000 1.336 957 F HN 0.554 nan 8.300 nan 0.000 0.457 958 N N 1.513 120.024 118.700 -0.314 0.000 2.284 958 N HA 0.744 5.491 4.740 0.012 0.000 0.289 958 N C -2.081 173.358 175.510 -0.119 0.000 1.179 958 N CA -0.755 52.092 53.050 -0.338 0.000 0.774 958 N CB 2.677 40.979 38.487 -0.309 0.000 1.548 958 N HN 1.121 nan 8.380 nan 0.000 0.473 959 I N 0.441 120.933 120.570 -0.130 0.000 2.649 959 I HA 0.663 4.840 4.170 0.012 0.000 0.289 959 I C -1.492 174.539 176.117 -0.143 0.000 1.222 959 I CA 0.054 61.252 61.300 -0.170 0.000 1.046 959 I CB 1.356 39.193 38.000 -0.271 0.000 1.272 959 I HN 1.069 nan 8.210 nan 0.000 0.425 960 S N 6.217 121.846 115.700 -0.119 0.000 2.643 960 S HA 0.473 4.950 4.470 0.012 0.000 0.266 960 S C -0.303 174.197 174.600 -0.167 0.000 1.130 960 S CA -0.984 57.139 58.200 -0.128 0.000 0.817 960 S CB 1.584 64.761 63.200 -0.039 0.000 1.107 960 S HN 0.643 nan 8.310 nan 0.000 0.471 961 R N -0.051 120.183 120.500 -0.442 0.000 2.320 961 R HA 0.242 4.589 4.340 0.012 0.000 0.211 961 R C -0.822 175.162 176.300 -0.527 0.000 0.931 961 R CA 0.345 56.156 56.100 -0.482 0.000 1.071 961 R CB -0.965 28.966 30.300 -0.615 0.000 1.025 961 R HN 0.667 nan 8.270 nan 0.000 0.495 962 Y N 0.102 120.383 120.300 -0.032 0.000 2.391 962 Y HA 0.206 4.763 4.550 0.012 0.000 0.341 962 Y C 0.613 176.306 175.900 -0.344 0.000 0.965 962 Y CA -1.170 56.826 58.100 -0.174 0.000 1.067 962 Y CB 1.535 39.828 38.460 -0.279 0.000 1.199 962 Y HN -0.101 nan 8.280 nan 0.000 0.450 963 S N 1.610 117.001 115.700 -0.514 0.000 2.592 963 S HA 0.065 4.542 4.470 0.012 0.000 0.271 963 S C 0.848 175.119 174.600 -0.548 0.000 1.326 963 S CA -0.795 56.753 58.200 -1.086 0.000 1.024 963 S CB 1.259 63.646 63.200 -1.356 0.000 0.921 963 S HN 0.730 nan 8.310 nan 0.000 0.527 964 Q N 0.859 120.342 119.800 -0.528 0.000 2.135 964 Q HA -0.218 4.129 4.340 0.012 0.000 0.204 964 Q C 2.175 178.025 176.000 -0.250 0.000 0.981 964 Q CA 1.882 57.512 55.803 -0.289 0.000 0.856 964 Q CB -0.494 28.102 28.738 -0.238 0.000 0.902 964 Q HN 0.974 nan 8.270 nan 0.000 0.425 965 Q N 0.575 120.190 119.800 -0.308 0.000 2.084 965 Q HA -0.213 4.134 4.340 0.012 0.000 0.202 965 Q C 2.112 177.999 176.000 -0.188 0.000 0.978 965 Q CA 1.479 57.163 55.803 -0.198 0.000 0.844 965 Q CB 0.023 28.658 28.738 -0.172 0.000 0.898 965 Q HN 0.417 nan 8.270 nan 0.000 0.426 966 Q N 0.051 119.709 119.800 -0.237 0.000 2.079 966 Q HA -0.154 4.193 4.340 0.012 0.000 0.200 966 Q C 2.184 178.043 176.000 -0.235 0.000 0.974 966 Q CA 1.199 56.868 55.803 -0.222 0.000 0.840 966 Q CB -0.047 28.533 28.738 -0.264 0.000 0.898 966 Q HN 0.481 nan 8.270 nan 0.000 0.430 967 L N 0.137 121.221 121.223 -0.231 0.000 2.083 967 L HA -0.191 4.156 4.340 0.012 0.000 0.209 967 L C 2.665 179.397 176.870 -0.231 0.000 1.083 967 L CA 1.115 55.816 54.840 -0.232 0.000 0.752 967 L CB -0.317 41.642 42.059 -0.166 0.000 0.899 967 L HN 0.403 nan 8.230 nan 0.000 0.433 968 M N -0.582 118.914 119.600 -0.174 0.000 2.319 968 M HA -0.161 4.326 4.480 0.012 0.000 0.265 968 M C 1.669 177.887 176.300 -0.137 0.000 1.068 968 M CA 1.585 56.799 55.300 -0.143 0.000 1.118 968 M CB 0.116 32.648 32.600 -0.115 0.000 1.395 968 M HN 0.203 nan 8.290 nan 0.000 0.435 969 E N -0.585 119.534 120.200 -0.136 0.000 2.478 969 E HA 0.033 4.390 4.350 0.012 0.000 0.194 969 E C -0.299 176.238 176.600 -0.104 0.000 1.045 969 E CA 0.203 56.545 56.400 -0.098 0.000 0.868 969 E CB 0.440 30.091 29.700 -0.082 0.000 0.885 969 E HN 0.318 nan 8.360 nan 0.000 0.505 970 T N 0.052 114.505 114.554 -0.169 0.000 2.797 970 T HA 0.127 4.484 4.350 0.012 0.000 0.279 970 T C 0.868 175.449 174.700 -0.197 0.000 0.991 970 T CA -0.529 61.472 62.100 -0.165 0.000 0.979 970 T CB 1.698 70.430 68.868 -0.227 0.000 0.943 970 T HN -0.004 nan 8.240 nan 0.000 0.444 971 S N 1.353 117.029 115.700 -0.039 0.000 2.535 971 S HA 0.174 4.651 4.470 0.012 0.000 0.214 971 S C 0.122 174.751 174.600 0.048 0.000 0.980 971 S CA -0.051 58.178 58.200 0.048 0.000 0.907 971 S CB -0.185 63.211 63.200 0.328 0.000 0.790 971 S HN 0.731 nan 8.310 nan 0.000 0.510 972 H N 0.868 119.932 119.070 -0.010 0.000 2.759 972 H HA 0.468 5.031 4.556 0.012 0.000 0.354 972 H C 0.945 176.240 175.328 -0.054 0.000 1.074 972 H CA -0.859 55.236 56.048 0.079 0.000 1.226 972 H CB 1.526 31.293 29.762 0.009 0.000 1.648 972 H HN 0.107 nan 8.280 nan 0.000 0.529 973 R N 2.033 122.635 120.500 0.170 0.000 2.127 973 R HA -0.167 4.180 4.340 0.012 0.000 0.238 973 R C 1.074 177.383 176.300 0.015 0.000 1.134 973 R CA 1.852 57.992 56.100 0.066 0.000 0.975 973 R CB -0.400 29.991 30.300 0.152 0.000 0.865 973 R HN 0.757 nan 8.270 nan 0.000 0.447 974 H N 0.761 119.825 119.070 -0.009 0.000 2.559 974 H HA 0.077 4.640 4.556 0.012 0.000 0.273 974 H C 1.444 176.685 175.328 -0.145 0.000 1.000 974 H CA 0.531 56.533 56.048 -0.077 0.000 1.195 974 H CB -0.062 29.642 29.762 -0.096 0.000 1.368 974 H HN 0.298 nan 8.280 nan 0.000 0.592 975 L N 0.773 121.607 121.223 -0.648 0.000 2.567 975 L HA 0.212 4.559 4.340 0.012 0.000 0.225 975 L C 0.762 177.472 176.870 -0.267 0.000 1.119 975 L CA -0.098 54.435 54.840 -0.512 0.000 0.871 975 L CB 0.171 41.921 42.059 -0.515 0.000 1.036 975 L HN 0.076 nan 8.230 nan 0.000 0.459 976 L N 0.480 121.532 121.223 -0.285 0.000 2.436 976 L HA 0.156 4.503 4.340 0.012 0.000 0.265 976 L C 0.088 176.879 176.870 -0.131 0.000 1.168 976 L CA -0.127 54.497 54.840 -0.360 0.000 0.815 976 L CB 0.482 42.135 42.059 -0.676 0.000 1.109 976 L HN 0.200 nan 8.230 nan 0.000 0.462 977 H N 0.989 120.078 119.070 0.032 0.000 2.771 977 H HA 0.581 5.144 4.556 0.012 0.000 0.361 977 H C -0.845 174.612 175.328 0.215 0.000 1.108 977 H CA -1.240 54.872 56.048 0.106 0.000 1.201 977 H CB 1.268 31.048 29.762 0.030 0.000 1.681 977 H HN 0.672 nan 8.280 nan 0.000 0.534 978 A N 3.324 126.297 122.820 0.256 0.000 2.511 978 A HA 0.109 4.436 4.320 0.012 0.000 0.242 978 A C 0.372 178.037 177.584 0.134 0.000 1.069 978 A CA -0.178 51.870 52.037 0.018 0.000 0.763 978 A CB 0.072 19.030 19.000 -0.071 0.000 1.001 978 A HN 0.835 nan 8.150 nan 0.000 0.498 979 E N 0.528 120.789 120.200 0.101 0.000 2.292 979 E HA 0.257 4.614 4.350 0.012 0.000 0.258 979 E C -0.019 176.625 176.600 0.073 0.000 1.115 979 E CA -0.625 55.887 56.400 0.187 0.000 0.929 979 E CB 0.735 30.623 29.700 0.314 0.000 1.161 979 E HN 0.809 nan 8.360 nan 0.000 0.453 980 E N 0.132 120.364 120.200 0.055 0.000 2.373 980 E HA 0.267 4.624 4.350 0.012 0.000 0.267 980 E C 0.317 176.869 176.600 -0.079 0.000 1.032 980 E CA 0.453 56.845 56.400 -0.014 0.000 0.889 980 E CB 0.397 30.083 29.700 -0.023 0.000 0.984 980 E HN 0.652 nan 8.360 nan 0.000 0.425 981 G N 2.472 111.228 108.800 -0.073 0.000 2.645 981 G HA2 -0.221 3.746 3.960 0.012 0.000 0.239 981 G HA3 -0.221 3.746 3.960 0.012 0.000 0.239 981 G C -0.620 174.220 174.900 -0.099 0.000 1.331 981 G CA -0.151 44.889 45.100 -0.101 0.000 0.890 981 G HN 0.694 nan 8.290 nan 0.000 0.572 982 T N 0.223 114.700 114.554 -0.127 0.000 2.879 982 T HA 0.499 4.856 4.350 0.012 0.000 0.290 982 T C -0.793 173.787 174.700 -0.200 0.000 0.993 982 T CA -0.167 61.877 62.100 -0.093 0.000 0.975 982 T CB 1.298 70.199 68.868 0.056 0.000 0.981 982 T HN 0.566 nan 8.240 nan 0.000 0.439 983 W N 3.337 124.549 121.300 -0.146 0.000 2.322 983 W HA 0.602 5.269 4.660 0.012 0.000 0.307 983 W C -0.250 176.141 176.519 -0.212 0.000 1.220 983 W CA -0.693 56.562 57.345 -0.149 0.000 1.210 983 W CB 0.743 30.126 29.460 -0.128 0.000 1.223 983 W HN 0.388 nan 8.180 nan 0.000 0.511 984 L N 5.570 126.795 121.223 0.004 0.000 2.333 984 L HA 0.527 4.874 4.340 0.012 0.000 0.280 984 L C -0.988 175.789 176.870 -0.155 0.000 1.004 984 L CA -0.470 54.248 54.840 -0.204 0.000 0.820 984 L CB 0.898 42.684 42.059 -0.455 0.000 1.247 984 L HN 0.311 nan 8.230 nan 0.000 0.416 985 N N 6.977 125.571 118.700 -0.177 0.000 2.443 985 N HA 0.492 5.239 4.740 0.012 0.000 0.269 985 N C -1.267 174.101 175.510 -0.236 0.000 0.985 985 N CA -0.249 52.695 53.050 -0.177 0.000 0.921 985 N CB 2.298 40.706 38.487 -0.132 0.000 1.195 985 N HN 0.556 nan 8.380 nan 0.000 0.492 986 I N 1.797 122.185 120.570 -0.303 0.000 2.410 986 I HA 0.233 4.410 4.170 0.012 0.000 0.286 986 I C -0.804 175.129 176.117 -0.306 0.000 1.009 986 I CA -0.596 60.489 61.300 -0.358 0.000 1.111 986 I CB 1.884 39.491 38.000 -0.656 0.000 1.262 986 I HN 0.169 nan 8.210 nan 0.000 0.443 987 D N 4.482 124.740 120.400 -0.235 0.000 2.217 987 D HA 0.299 4.946 4.640 0.012 0.000 0.243 987 D C 0.996 177.008 176.300 -0.479 0.000 1.054 987 D CA -0.205 53.594 54.000 -0.334 0.000 0.838 987 D CB 2.490 43.193 40.800 -0.162 0.000 1.162 987 D HN 0.706 nan 8.370 nan 0.000 0.472 988 G N 1.247 109.466 108.800 -0.969 0.000 2.394 988 G HA2 -0.040 3.927 3.960 0.012 0.000 0.215 988 G HA3 -0.040 3.927 3.960 0.012 0.000 0.215 988 G C 0.098 174.261 174.900 -1.229 0.000 1.165 988 G CA 0.652 45.063 45.100 -1.148 0.000 0.784 988 G HN 0.380 nan 8.290 nan 0.000 0.535 989 F N -2.228 117.530 119.950 -0.320 0.000 2.601 989 F HA 0.616 5.150 4.527 0.011 0.000 0.309 989 F C -0.543 175.156 175.800 -0.170 0.000 1.089 989 F CA -1.155 56.735 58.000 -0.184 0.000 0.940 989 F CB 2.205 41.021 39.000 -0.307 0.000 1.273 989 F HN 0.053 nan 8.300 nan 0.000 0.450 990 H N 1.698 120.771 119.070 0.006 0.000 2.865 990 H HA 0.522 5.085 4.556 0.012 0.000 0.362 990 H C -0.932 174.420 175.328 0.039 0.000 1.114 990 H CA -0.840 55.187 56.048 -0.035 0.000 1.208 990 H CB 1.825 31.551 29.762 -0.060 0.000 1.727 990 H HN 0.768 nan 8.280 nan 0.000 0.534 991 M N 3.468 122.986 119.600 -0.136 0.000 2.240 991 M HA 0.307 4.794 4.480 0.012 0.000 0.333 991 M C 0.547 176.948 176.300 0.168 0.000 1.110 991 M CA 0.289 55.594 55.300 0.008 0.000 1.173 991 M CB 0.403 32.912 32.600 -0.152 0.000 1.458 991 M HN 0.845 nan 8.290 nan 0.000 0.458 992 G N 2.846 111.734 108.800 0.147 0.000 2.732 992 G HA2 0.237 4.204 3.960 0.012 0.000 0.244 992 G HA3 0.237 4.204 3.960 0.012 0.000 0.244 992 G C 0.596 175.482 174.900 -0.023 0.000 1.226 992 G CA -0.327 44.798 45.100 0.043 0.000 0.860 992 G HN 0.972 nan 8.290 nan 0.000 0.583 993 I N -1.611 118.896 120.570 -0.106 0.000 3.645 993 I HA 0.421 4.598 4.170 0.012 0.000 0.300 993 I C 1.191 177.235 176.117 -0.122 0.000 1.260 993 I CA 0.390 61.585 61.300 -0.175 0.000 1.365 993 I CB -0.604 37.192 38.000 -0.341 0.000 1.077 993 I HN 0.953 nan 8.210 nan 0.000 0.439 994 G N 1.557 110.311 108.800 -0.078 0.000 2.698 994 G HA2 0.057 4.024 3.960 0.012 0.000 0.233 994 G HA3 0.057 4.024 3.960 0.012 0.000 0.233 994 G C 0.503 175.389 174.900 -0.022 0.000 1.352 994 G CA 0.042 45.130 45.100 -0.019 0.000 0.879 994 G HN 1.325 nan 8.290 nan 0.000 0.567 995 G N -2.291 106.510 108.800 0.002 0.000 2.559 995 G HA2 0.032 3.999 3.960 0.012 0.000 0.202 995 G HA3 0.032 3.999 3.960 0.012 0.000 0.202 995 G C 0.612 175.564 174.900 0.086 0.000 0.992 995 G CA 0.974 46.084 45.100 0.017 0.000 0.764 995 G HN 0.933 nan 8.290 nan 0.000 0.525 996 D N 1.218 121.685 120.400 0.112 0.000 2.182 996 D HA 0.111 4.758 4.640 0.012 0.000 0.201 996 D C 1.046 177.361 176.300 0.026 0.000 0.986 996 D CA 2.062 56.190 54.000 0.214 0.000 0.847 996 D CB 0.183 41.112 40.800 0.217 0.000 0.942 996 D HN 0.798 nan 8.370 nan 0.000 0.467 997 D N -3.284 116.926 120.400 -0.317 0.000 2.643 997 D HA 0.323 4.970 4.640 0.012 0.000 0.283 997 D C -0.832 174.948 176.300 -0.866 0.000 1.242 997 D CA -0.734 52.660 54.000 -1.010 0.000 0.863 997 D CB 0.863 40.507 40.800 -1.927 0.000 1.382 997 D HN -0.309 nan 8.370 nan 0.000 0.444 998 S N -0.639 114.355 115.700 -1.177 0.000 2.711 998 S HA 0.271 4.748 4.470 0.012 0.000 0.247 998 S C -0.673 173.958 174.600 0.051 0.000 1.079 998 S CA -0.660 57.356 58.200 -0.306 0.000 1.050 998 S CB -0.545 62.700 63.200 0.075 0.000 0.885 998 S HN 0.627 nan 8.310 nan 0.000 0.498 999 W N 0.354 121.582 121.300 -0.120 0.000 1.807 999 W HA 0.457 5.124 4.660 0.011 0.000 0.251 999 W C -0.120 176.345 176.519 -0.091 0.000 0.848 999 W CA -0.390 56.895 57.345 -0.101 0.000 1.157 999 W CB -0.429 28.909 29.460 -0.203 0.000 0.992 999 W HN 0.172 nan 8.180 nan 0.000 0.506 1000 S N -0.351 115.215 115.700 -0.224 0.000 2.540 1000 S HA 0.622 5.099 4.470 0.012 0.000 0.275 1000 S C -2.948 171.578 174.600 -0.123 0.000 1.123 1000 S CA -1.728 56.407 58.200 -0.107 0.000 0.907 1000 S CB 1.925 65.097 63.200 -0.047 0.000 1.081 1000 S HN -0.239 nan 8.310 nan 0.000 0.476 1001 P HA 0.088 nan 4.420 nan 0.000 0.261 1001 P C 0.439 177.771 177.300 0.053 0.000 1.173 1001 P CA 0.178 63.277 63.100 -0.001 0.000 0.760 1001 P CB 0.437 32.010 31.700 -0.212 0.000 0.783 1002 S N 0.571 116.343 115.700 0.121 0.000 2.780 1002 S HA 0.134 4.611 4.470 0.012 0.000 0.248 1002 S C 0.203 174.887 174.600 0.140 0.000 1.036 1002 S CA -0.328 57.920 58.200 0.080 0.000 1.061 1002 S CB -0.256 62.939 63.200 -0.008 0.000 1.037 1002 S HN 0.118 nan 8.310 nan 0.000 0.584 1003 V N 3.012 123.061 119.914 0.226 0.000 2.470 1003 V HA 0.340 4.467 4.120 0.012 0.000 0.276 1003 V C 0.852 177.106 176.094 0.267 0.000 1.040 1003 V CA -0.182 62.242 62.300 0.206 0.000 1.008 1003 V CB 0.857 32.763 31.823 0.138 0.000 0.990 1003 V HN 0.536 nan 8.190 nan 0.000 0.477 1004 S N 4.169 120.037 115.700 0.281 0.000 2.568 1004 S HA 0.286 4.763 4.470 0.012 0.000 0.282 1004 S C 1.537 176.286 174.600 0.248 0.000 1.338 1004 S CA 0.056 58.414 58.200 0.263 0.000 1.045 1004 S CB 1.133 64.510 63.200 0.296 0.000 0.873 1004 S HN 0.985 nan 8.310 nan 0.000 0.516 1005 A N 3.431 126.350 122.820 0.165 0.000 1.948 1005 A HA -0.142 4.185 4.320 0.012 0.000 0.220 1005 A C 2.018 179.638 177.584 0.061 0.000 1.177 1005 A CA 1.820 53.940 52.037 0.139 0.000 0.636 1005 A CB -0.681 18.376 19.000 0.095 0.000 0.815 1005 A HN 0.964 nan 8.150 nan 0.000 0.449 1006 E N -0.832 119.340 120.200 -0.046 0.000 2.409 1006 E HA -0.138 4.219 4.350 0.012 0.000 0.198 1006 E C 0.761 177.125 176.600 -0.393 0.000 1.024 1006 E CA 0.828 57.079 56.400 -0.248 0.000 0.861 1006 E CB -0.439 29.023 29.700 -0.396 0.000 0.788 1006 E HN 0.694 nan 8.360 nan 0.000 0.521 1007 F N 1.042 121.048 119.950 0.094 0.000 2.661 1007 F HA 0.269 4.803 4.527 0.011 0.000 0.306 1007 F C 0.866 176.711 175.800 0.075 0.000 1.094 1007 F CA -0.541 57.515 58.000 0.094 0.000 1.254 1007 F CB 0.576 39.631 39.000 0.092 0.000 1.040 1007 F HN -0.191 nan 8.300 nan 0.000 0.562 1008 Q N 1.223 121.141 119.800 0.196 0.000 2.230 1008 Q HA 0.396 4.743 4.340 0.012 0.000 0.248 1008 Q C -0.201 175.840 176.000 0.069 0.000 0.915 1008 Q CA -0.506 55.390 55.803 0.156 0.000 0.900 1008 Q CB 1.872 30.790 28.738 0.299 0.000 1.229 1008 Q HN 0.249 nan 8.270 nan 0.000 0.439 1009 L N 2.502 123.751 121.223 0.044 0.000 2.399 1009 L HA 0.109 4.456 4.340 0.012 0.000 0.257 1009 L C 0.507 177.350 176.870 -0.045 0.000 1.236 1009 L CA -0.045 54.813 54.840 0.030 0.000 1.144 1009 L CB -0.300 41.669 42.059 -0.150 0.000 1.379 1009 L HN 0.694 nan 8.230 nan 0.000 0.414 1010 S N -1.184 114.384 115.700 -0.220 0.000 2.568 1010 S HA 0.165 4.642 4.470 0.012 0.000 0.232 1010 S C 1.563 176.078 174.600 -0.142 0.000 0.975 1010 S CA 0.135 58.015 58.200 -0.533 0.000 0.949 1010 S CB 0.788 63.512 63.200 -0.794 0.000 0.829 1010 S HN 0.514 nan 8.310 nan 0.000 0.479 1011 A N 1.422 124.195 122.820 -0.079 0.000 2.121 1011 A HA 0.459 4.786 4.320 0.012 0.000 0.218 1011 A C 2.085 179.513 177.584 -0.260 0.000 1.154 1011 A CA 1.155 53.010 52.037 -0.304 0.000 0.679 1011 A CB -1.208 17.371 19.000 -0.701 0.000 0.795 1011 A HN 1.454 nan 8.150 nan 0.000 0.458 1012 G N -1.412 107.341 108.800 -0.079 0.000 2.640 1012 G HA2 -0.298 3.669 3.960 0.012 0.000 0.226 1012 G HA3 -0.298 3.669 3.960 0.012 0.000 0.226 1012 G C 0.454 175.344 174.900 -0.017 0.000 1.222 1012 G CA 0.498 45.599 45.100 0.001 0.000 0.729 1012 G HN 0.688 nan 8.290 nan 0.000 0.516 1013 R N -0.501 119.868 120.500 -0.219 0.000 2.621 1013 R HA 0.722 5.069 4.340 0.012 0.000 0.292 1013 R C -1.527 174.525 176.300 -0.412 0.000 0.969 1013 R CA -0.540 55.472 56.100 -0.146 0.000 0.887 1013 R CB 1.476 31.728 30.300 -0.080 0.000 1.180 1013 R HN 0.284 nan 8.270 nan 0.000 0.450 1014 Y N 0.475 120.760 120.300 -0.025 0.000 2.457 1014 Y HA 0.333 4.890 4.550 0.011 0.000 0.343 1014 Y C -0.562 175.460 175.900 0.204 0.000 0.994 1014 Y CA -0.826 57.214 58.100 -0.101 0.000 1.031 1014 Y CB 2.160 40.417 38.460 -0.338 0.000 1.246 1014 Y HN 0.588 nan 8.280 nan 0.000 0.449 1015 H N 3.148 122.451 119.070 0.388 0.000 2.600 1015 H HA 0.636 5.199 4.556 0.012 0.000 0.357 1015 H C -1.666 174.060 175.328 0.663 0.000 1.106 1015 H CA -0.884 55.407 56.048 0.406 0.000 1.193 1015 H CB 1.151 31.054 29.762 0.236 0.000 1.594 1015 H HN 0.585 nan 8.280 nan 0.000 0.526 1016 Y N 1.359 121.488 120.300 -0.286 0.000 2.638 1016 Y HA 0.494 5.051 4.550 0.012 0.000 0.335 1016 Y C -1.753 173.981 175.900 -0.278 0.000 1.155 1016 Y CA -1.059 56.963 58.100 -0.130 0.000 1.046 1016 Y CB 1.590 40.075 38.460 0.042 0.000 1.303 1016 Y HN 0.689 nan 8.280 nan 0.000 0.460 1017 Q N 2.167 121.993 119.800 0.043 0.000 2.340 1017 Q HA 0.705 5.052 4.340 0.012 0.000 0.276 1017 Q C -2.231 173.862 176.000 0.154 0.000 1.048 1017 Q CA -0.851 54.954 55.803 0.003 0.000 0.832 1017 Q CB 2.914 31.689 28.738 0.062 0.000 1.373 1017 Q HN 0.907 nan 8.270 nan 0.000 0.409 1018 L N 1.766 123.063 121.223 0.124 0.000 2.393 1018 L HA 0.695 5.042 4.340 0.012 0.000 0.260 1018 L C -0.940 176.053 176.870 0.205 0.000 1.002 1018 L CA -1.083 53.869 54.840 0.187 0.000 0.818 1018 L CB 2.403 44.549 42.059 0.145 0.000 1.369 1018 L HN 0.307 nan 8.230 nan 0.000 0.412 1019 V N 0.909 120.968 119.914 0.241 0.000 2.409 1019 V HA 0.381 4.508 4.120 0.012 0.000 0.291 1019 V C -1.206 175.066 176.094 0.297 0.000 1.020 1019 V CA -0.378 62.072 62.300 0.249 0.000 0.848 1019 V CB 1.930 33.872 31.823 0.200 0.000 0.990 1019 V HN 0.617 nan 8.190 nan 0.000 0.430 1020 W N 7.321 128.695 121.300 0.123 0.000 2.417 1020 W HA 0.697 5.364 4.660 0.012 0.000 0.315 1020 W C -0.232 176.296 176.519 0.014 0.000 1.045 1020 W CA -1.166 56.173 57.345 -0.010 0.000 1.221 1020 W CB 1.357 30.882 29.460 0.108 0.000 1.309 1020 W HN 0.848 nan 8.180 nan 0.000 0.453 1021 C N 4.581 124.110 119.300 0.382 0.000 3.318 1021 C HA 0.705 5.172 4.460 0.012 0.000 0.329 1021 C C -0.370 174.727 174.990 0.179 0.000 1.449 1021 C CA -0.722 58.460 59.018 0.274 0.000 1.397 1021 C CB 1.759 29.608 27.740 0.181 0.000 1.810 1021 C HN 0.740 nan 8.230 nan 0.000 0.449 1022 Q N 1.017 120.878 119.800 0.101 0.000 2.286 1022 Q HA 0.831 5.178 4.340 0.012 0.000 0.250 1022 Q C -1.167 174.826 176.000 -0.010 0.000 1.021 1022 Q CA -0.280 55.526 55.803 0.004 0.000 0.930 1022 Q CB 1.979 30.695 28.738 -0.037 0.000 1.266 1022 Q HN 0.963 nan 8.270 nan 0.000 0.491 1023 K N 0.000 120.369 120.400 -0.052 0.000 2.780 1023 K HA 0.000 4.327 4.320 0.012 0.000 0.191 1023 K CA 0.000 56.263 56.287 -0.040 0.000 0.838 1023 K CB 0.000 32.488 32.500 -0.019 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543