REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3dym_1_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETEGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.089 176.300 -0.351 0.000 0.893 13 R CA 0.000 55.969 56.100 -0.218 0.000 0.921 13 R CB 0.000 30.173 30.300 -0.212 0.000 0.687 14 R N 1.737 121.906 120.500 -0.552 0.000 3.251 14 R HA -0.170 4.184 4.340 0.024 0.000 0.249 14 R C -0.551 175.149 176.300 -1.000 0.000 0.949 14 R CA 0.826 56.163 56.100 -1.270 0.000 0.645 14 R CB -1.402 28.331 30.300 -0.945 0.000 1.065 14 R HN 0.371 nan 8.270 nan 0.000 0.452 15 D N 0.004 120.028 120.400 -0.627 0.000 2.221 15 D HA -0.183 4.472 4.640 0.024 0.000 0.204 15 D C 1.626 177.815 176.300 -0.185 0.000 0.982 15 D CA 1.825 55.566 54.000 -0.433 0.000 0.857 15 D CB -0.142 40.220 40.800 -0.730 0.000 0.934 15 D HN 0.733 nan 8.370 nan 0.000 0.475 16 W N 1.382 122.680 121.300 -0.003 0.000 3.310 16 W HA 0.192 4.867 4.660 0.024 0.000 0.259 16 W C 0.304 176.898 176.519 0.125 0.000 1.324 16 W CA -0.288 57.155 57.345 0.164 0.000 1.636 16 W CB -0.261 29.341 29.460 0.237 0.000 1.104 16 W HN -0.193 nan 8.180 nan 0.000 0.722 17 E N 1.331 121.402 120.200 -0.214 0.000 3.575 17 E HA 0.056 4.421 4.350 0.024 0.000 0.201 17 E C -0.862 175.580 176.600 -0.263 0.000 0.999 17 E CA -0.260 56.033 56.400 -0.179 0.000 1.315 17 E CB -0.157 29.409 29.700 -0.225 0.000 1.146 17 E HN 0.051 nan 8.360 nan 0.000 0.453 18 N N 0.953 119.532 118.700 -0.202 0.000 2.655 18 N HA 0.127 4.882 4.740 0.024 0.000 0.277 18 N C -2.477 172.880 175.510 -0.254 0.000 1.177 18 N CA -1.767 51.128 53.050 -0.259 0.000 0.882 18 N CB 1.507 39.850 38.487 -0.240 0.000 1.481 18 N HN -0.178 nan 8.380 nan 0.000 0.547 19 P HA 0.103 nan 4.420 nan 0.000 0.230 19 P C 1.094 178.152 177.300 -0.404 0.000 1.158 19 P CA 0.596 63.348 63.100 -0.579 0.000 0.769 19 P CB 0.139 30.998 31.700 -1.401 0.000 0.807 20 G N -0.412 108.198 108.800 -0.316 0.000 2.650 20 G HA2 0.048 4.023 3.960 0.024 0.000 0.214 20 G HA3 0.048 4.023 3.960 0.024 0.000 0.214 20 G C 0.275 175.091 174.900 -0.140 0.000 1.136 20 G CA 0.198 45.166 45.100 -0.220 0.000 0.789 20 G HN 0.208 nan 8.290 nan 0.000 0.536 21 V N 1.694 121.537 119.914 -0.118 0.000 2.325 21 V HA 0.280 4.414 4.120 0.024 0.000 0.280 21 V C 0.810 176.948 176.094 0.075 0.000 1.016 21 V CA 0.050 62.329 62.300 -0.034 0.000 0.818 21 V CB 1.121 32.899 31.823 -0.074 0.000 1.019 21 V HN 0.306 nan 8.190 nan 0.000 0.434 22 T N 0.594 115.197 114.554 0.082 0.000 3.040 22 T HA 0.386 4.750 4.350 0.024 0.000 0.250 22 T C 0.285 175.051 174.700 0.110 0.000 1.058 22 T CA 0.177 62.337 62.100 0.100 0.000 0.988 22 T CB 0.257 69.131 68.868 0.010 0.000 0.993 22 T HN 0.743 nan 8.240 nan 0.000 0.519 23 Q N 0.033 119.955 119.800 0.204 0.000 3.011 23 Q HA 0.639 4.994 4.340 0.024 0.000 0.299 23 Q C -2.388 173.766 176.000 0.256 0.000 0.891 23 Q CA -1.052 54.868 55.803 0.195 0.000 0.792 23 Q CB 0.525 29.276 28.738 0.021 0.000 1.601 23 Q HN 0.210 nan 8.270 nan 0.000 0.462 24 L N 1.291 122.686 121.223 0.287 0.000 2.493 24 L HA 0.603 4.957 4.340 0.024 0.000 0.265 24 L C -0.652 176.360 176.870 0.237 0.000 0.954 24 L CA -0.869 54.137 54.840 0.275 0.000 0.844 24 L CB 2.045 44.372 42.059 0.447 0.000 1.302 24 L HN 0.852 nan 8.230 nan 0.000 0.405 25 N N 0.651 119.452 118.700 0.168 0.000 2.778 25 N HA -0.212 4.543 4.740 0.024 0.000 0.249 25 N C 0.222 175.813 175.510 0.135 0.000 1.069 25 N CA 0.917 54.056 53.050 0.148 0.000 0.831 25 N CB -0.795 37.737 38.487 0.076 0.000 1.142 25 N HN 0.665 nan 8.380 nan 0.000 0.573 26 R N 1.087 121.578 120.500 -0.015 0.000 2.438 26 R HA 0.364 4.718 4.340 0.024 0.000 0.287 26 R C 0.570 176.709 176.300 -0.268 0.000 1.077 26 R CA -0.309 55.525 56.100 -0.442 0.000 1.034 26 R CB 0.499 30.559 30.300 -0.399 0.000 0.993 26 R HN 0.130 nan 8.270 nan 0.000 0.459 27 L N 2.879 123.920 121.223 -0.303 0.000 2.466 27 L HA 0.306 4.660 4.340 0.024 0.000 0.257 27 L C 0.684 177.491 176.870 -0.105 0.000 1.189 27 L CA -0.543 54.221 54.840 -0.126 0.000 0.813 27 L CB 0.697 42.713 42.059 -0.071 0.000 1.118 27 L HN 0.775 nan 8.230 nan 0.000 0.471 28 A N 1.007 123.807 122.820 -0.032 0.000 2.386 28 A HA 0.549 4.883 4.320 0.024 0.000 0.248 28 A C 0.220 177.779 177.584 -0.041 0.000 1.082 28 A CA -0.067 51.952 52.037 -0.030 0.000 0.789 28 A CB 0.307 19.321 19.000 0.022 0.000 1.025 28 A HN 0.781 nan 8.150 nan 0.000 0.490 29 A N 0.971 123.717 122.820 -0.123 0.000 2.332 29 A HA 0.676 5.010 4.320 0.024 0.000 0.258 29 A C 0.095 177.525 177.584 -0.257 0.000 1.087 29 A CA 0.512 52.386 52.037 -0.273 0.000 0.802 29 A CB -0.092 18.766 19.000 -0.236 0.000 1.042 29 A HN 1.925 nan 8.150 nan 0.000 0.489 30 H N -2.441 116.472 119.070 -0.261 0.000 2.950 30 H HA 0.619 5.189 4.556 0.024 0.000 0.307 30 H C -3.429 171.619 175.328 -0.465 0.000 1.403 30 H CA -1.813 54.020 56.048 -0.359 0.000 1.145 30 H CB -0.058 29.391 29.762 -0.523 0.000 1.844 30 H HN 0.376 nan 8.280 nan 0.000 0.515 31 P HA 0.204 nan 4.420 nan 0.000 0.272 31 P C -2.575 174.592 177.300 -0.222 0.000 1.240 31 P CA -1.296 61.615 63.100 -0.316 0.000 0.791 31 P CB -0.292 31.121 31.700 -0.479 0.000 0.978 32 P HA 0.023 nan 4.420 nan 0.000 0.262 32 P C -0.746 176.747 177.300 0.323 0.000 1.182 32 P CA 1.154 64.307 63.100 0.088 0.000 0.761 32 P CB -0.079 31.719 31.700 0.165 0.000 0.795 33 F N 1.121 121.164 119.950 0.155 0.000 2.598 33 F HA 0.617 5.159 4.527 0.024 0.000 0.327 33 F C 0.946 176.671 175.800 -0.125 0.000 1.057 33 F CA -1.038 56.989 58.000 0.044 0.000 0.957 33 F CB 2.225 41.193 39.000 -0.054 0.000 1.278 33 F HN 0.216 nan 8.300 nan 0.000 0.484 34 A N 0.107 122.846 122.820 -0.134 0.000 2.710 34 A HA 0.237 4.572 4.320 0.024 0.000 0.212 34 A C 0.578 177.841 177.584 -0.535 0.000 1.358 34 A CA 0.504 52.223 52.037 -0.530 0.000 1.048 34 A CB -0.122 18.102 19.000 -1.295 0.000 1.345 34 A HN 0.771 nan 8.150 nan 0.000 0.583 35 S N 0.459 115.949 115.700 -0.349 0.000 3.559 35 S HA -0.152 4.332 4.470 0.024 0.000 0.369 35 S C 0.061 174.562 174.600 -0.164 0.000 0.987 35 S CA 0.524 58.580 58.200 -0.240 0.000 1.187 35 S CB -1.627 61.448 63.200 -0.209 0.000 0.914 35 S HN 0.481 nan 8.310 nan 0.000 0.480 36 W N 1.237 122.517 121.300 -0.033 0.000 2.170 36 W HA 0.202 4.877 4.660 0.024 0.000 0.342 36 W C 1.340 177.837 176.519 -0.037 0.000 1.294 36 W CA -0.466 56.865 57.345 -0.023 0.000 1.246 36 W CB 0.170 29.617 29.460 -0.021 0.000 1.156 36 W HN 0.313 nan 8.180 nan 0.000 0.572 37 R N 1.823 122.446 120.500 0.206 0.000 2.577 37 R HA 0.097 4.451 4.340 0.024 0.000 0.344 37 R C -0.099 176.260 176.300 0.097 0.000 1.037 37 R CA -0.147 56.017 56.100 0.107 0.000 1.102 37 R CB -0.210 30.121 30.300 0.052 0.000 1.313 37 R HN 0.372 nan 8.270 nan 0.000 0.561 38 N N 0.004 118.781 118.700 0.128 0.000 2.397 38 N HA 0.122 4.877 4.740 0.024 0.000 0.291 38 N C -0.077 175.411 175.510 -0.037 0.000 1.065 38 N CA -0.006 53.067 53.050 0.038 0.000 0.884 38 N CB 1.860 40.364 38.487 0.030 0.000 1.551 38 N HN -0.243 nan 8.380 nan 0.000 0.487 39 S N 2.292 117.943 115.700 -0.081 0.000 2.383 39 S HA -0.149 4.336 4.470 0.024 0.000 0.227 39 S C 1.391 175.818 174.600 -0.290 0.000 1.026 39 S CA 1.010 59.116 58.200 -0.156 0.000 0.981 39 S CB -0.035 63.098 63.200 -0.111 0.000 0.818 39 S HN 0.727 nan 8.310 nan 0.000 0.472 40 E N 1.578 121.619 120.200 -0.264 0.000 2.153 40 E HA -0.134 4.231 4.350 0.024 0.000 0.194 40 E C 1.807 178.175 176.600 -0.388 0.000 0.988 40 E CA 1.054 57.253 56.400 -0.334 0.000 0.811 40 E CB -0.136 29.421 29.700 -0.238 0.000 0.746 40 E HN 0.324 nan 8.360 nan 0.000 0.466 41 E N -0.046 119.924 120.200 -0.384 0.000 2.107 41 E HA -0.056 4.308 4.350 0.024 0.000 0.191 41 E C 1.976 177.913 176.600 -1.105 0.000 0.982 41 E CA 0.990 57.101 56.400 -0.481 0.000 0.809 41 E CB -0.479 29.080 29.700 -0.236 0.000 0.756 41 E HN 0.356 nan 8.360 nan 0.000 0.459 42 A N 1.719 123.732 122.820 -1.346 0.000 1.877 42 A HA -0.198 4.137 4.320 0.024 0.000 0.216 42 A C 2.261 179.213 177.584 -1.053 0.000 1.186 42 A CA 1.701 52.616 52.037 -1.870 0.000 0.620 42 A CB -0.515 17.989 19.000 -0.826 0.000 0.822 42 A HN 0.122 nan 8.150 nan 0.000 0.443 43 R N -0.420 119.672 120.500 -0.679 0.000 2.091 43 R HA -0.136 4.219 4.340 0.024 0.000 0.238 43 R C 2.048 178.095 176.300 -0.422 0.000 1.136 43 R CA 2.068 57.849 56.100 -0.531 0.000 0.959 43 R CB -0.442 29.448 30.300 -0.684 0.000 0.856 43 R HN 0.665 nan 8.270 nan 0.000 0.437 44 T N -2.510 111.797 114.554 -0.412 0.000 3.129 44 T HA 0.018 4.382 4.350 0.024 0.000 0.251 44 T C 0.317 174.910 174.700 -0.179 0.000 1.117 44 T CA 0.535 62.483 62.100 -0.254 0.000 1.034 44 T CB 0.071 68.818 68.868 -0.202 0.000 0.968 44 T HN 0.333 nan 8.240 nan 0.000 0.526 45 D N 0.861 121.093 120.400 -0.279 0.000 2.870 45 D HA -0.159 4.495 4.640 0.024 0.000 0.228 45 D C 0.043 176.432 176.300 0.150 0.000 1.147 45 D CA 0.454 54.435 54.000 -0.032 0.000 0.757 45 D CB -1.193 39.654 40.800 0.078 0.000 1.091 45 D HN 0.609 nan 8.370 nan 0.000 0.429 46 R N -0.017 120.532 120.500 0.083 0.000 2.583 46 R HA 0.538 4.893 4.340 0.024 0.000 0.268 46 R C -2.122 174.451 176.300 0.456 0.000 1.101 46 R CA -1.451 54.769 56.100 0.201 0.000 1.180 46 R CB 0.225 30.579 30.300 0.090 0.000 1.128 46 R HN 0.052 nan 8.270 nan 0.000 0.568 47 P HA -0.042 nan 4.420 nan 0.000 0.266 47 P C -0.840 176.639 177.300 0.299 0.000 1.195 47 P CA 0.237 63.496 63.100 0.264 0.000 0.768 47 P CB 0.788 32.584 31.700 0.160 0.000 0.838 48 S N 1.792 117.561 115.700 0.114 0.000 2.451 48 S HA 0.138 4.623 4.470 0.024 0.000 0.301 48 S C 0.969 175.590 174.600 0.036 0.000 1.116 48 S CA -0.532 57.647 58.200 -0.034 0.000 1.093 48 S CB 0.474 63.337 63.200 -0.562 0.000 1.017 48 S HN 0.196 nan 8.310 nan 0.000 0.482 49 Q N 2.939 122.791 119.800 0.088 0.000 2.364 49 Q HA -0.033 4.322 4.340 0.024 0.000 0.207 49 Q C 1.142 177.268 176.000 0.211 0.000 0.970 49 Q CA 1.300 57.189 55.803 0.144 0.000 0.888 49 Q CB -0.199 28.622 28.738 0.137 0.000 0.951 49 Q HN 0.727 nan 8.270 nan 0.000 0.469 50 Q N -0.407 119.426 119.800 0.055 0.000 2.403 50 Q HA 0.104 4.459 4.340 0.024 0.000 0.203 50 Q C -0.335 175.721 176.000 0.093 0.000 0.932 50 Q CA 0.113 55.891 55.803 -0.042 0.000 0.945 50 Q CB 0.382 29.006 28.738 -0.190 0.000 1.045 50 Q HN 0.043 nan 8.270 nan 0.000 0.511 51 L N 0.743 122.041 121.223 0.125 0.000 2.342 51 L HA 0.444 4.799 4.340 0.024 0.000 0.276 51 L C -1.239 175.734 176.870 0.171 0.000 0.997 51 L CA -0.421 54.492 54.840 0.122 0.000 0.838 51 L CB 1.093 43.132 42.059 -0.033 0.000 1.224 51 L HN -0.117 nan 8.230 nan 0.000 0.416 52 R N 2.709 123.335 120.500 0.211 0.000 2.562 52 R HA 0.560 4.915 4.340 0.024 0.000 0.298 52 R C -0.503 175.810 176.300 0.021 0.000 0.961 52 R CA -0.673 55.480 56.100 0.088 0.000 0.881 52 R CB 2.016 32.309 30.300 -0.010 0.000 1.159 52 R HN 0.675 nan 8.270 nan 0.000 0.450 53 S N 2.409 118.113 115.700 0.006 0.000 2.545 53 S HA 0.229 4.714 4.470 0.024 0.000 0.275 53 S C 0.569 175.152 174.600 -0.028 0.000 1.299 53 S CA -0.538 57.654 58.200 -0.013 0.000 1.048 53 S CB 0.460 63.665 63.200 0.008 0.000 0.938 53 S HN 0.573 nan 8.310 nan 0.000 0.496 54 L N 3.843 125.047 121.223 -0.032 0.000 2.965 54 L HA 0.316 4.670 4.340 0.024 0.000 0.254 54 L C 0.133 177.118 176.870 0.191 0.000 1.220 54 L CA -0.415 54.429 54.840 0.007 0.000 1.023 54 L CB -0.193 41.828 42.059 -0.064 0.000 1.355 54 L HN 0.518 nan 8.230 nan 0.000 0.545 55 N N 0.973 119.734 118.700 0.102 0.000 2.467 55 N HA 0.570 5.325 4.740 0.024 0.000 0.262 55 N C 0.656 176.270 175.510 0.173 0.000 1.234 55 N CA 0.862 53.983 53.050 0.118 0.000 0.952 55 N CB 1.524 40.022 38.487 0.017 0.000 1.158 55 N HN 0.265 nan 8.380 nan 0.000 0.463 56 G N 0.258 109.181 108.800 0.205 0.000 2.233 56 G HA2 -0.095 3.879 3.960 0.024 0.000 0.162 56 G HA3 -0.095 3.879 3.960 0.024 0.000 0.162 56 G C -1.564 173.534 174.900 0.329 0.000 1.327 56 G CA -0.730 44.490 45.100 0.202 0.000 1.187 56 G HN 0.460 nan 8.290 nan 0.000 0.479 57 E N 0.132 120.511 120.200 0.298 0.000 2.229 57 E HA 0.471 4.836 4.350 0.024 0.000 0.283 57 E C -0.997 175.865 176.600 0.436 0.000 1.030 57 E CA -0.107 56.486 56.400 0.320 0.000 0.836 57 E CB 1.278 31.087 29.700 0.181 0.000 1.068 57 E HN 0.347 nan 8.360 nan 0.000 0.401 58 W N 1.369 122.763 121.300 0.157 0.000 3.021 58 W HA 0.392 5.067 4.660 0.025 0.000 0.337 58 W C 0.103 176.755 176.519 0.221 0.000 1.171 58 W CA -0.703 56.766 57.345 0.207 0.000 1.060 58 W CB 0.780 30.424 29.460 0.308 0.000 1.472 58 W HN 0.167 nan 8.180 nan 0.000 0.594 59 R N 1.358 122.144 120.500 0.475 0.000 2.460 59 R HA 0.568 4.923 4.340 0.024 0.000 0.303 59 R C -1.473 175.083 176.300 0.428 0.000 0.968 59 R CA -0.921 55.391 56.100 0.354 0.000 0.889 59 R CB 1.071 31.521 30.300 0.251 0.000 1.123 59 R HN 0.421 nan 8.270 nan 0.000 0.455 60 F N 0.516 120.521 119.950 0.090 0.000 2.588 60 F HA 0.697 5.238 4.527 0.024 0.000 0.310 60 F C -1.515 174.148 175.800 -0.227 0.000 1.082 60 F CA -0.769 57.133 58.000 -0.163 0.000 0.929 60 F CB 2.073 40.851 39.000 -0.370 0.000 1.254 60 F HN 0.595 nan 8.300 nan 0.000 0.455 61 A N 4.289 126.250 122.820 -1.432 0.000 2.427 61 A HA 0.532 4.867 4.320 0.024 0.000 0.298 61 A C -2.388 174.119 177.584 -1.795 0.000 1.036 61 A CA -0.495 50.809 52.037 -1.221 0.000 0.701 61 A CB 0.583 19.224 19.000 -0.598 0.000 1.250 61 A HN 0.948 nan 8.150 nan 0.000 0.412 62 W N 2.976 123.297 121.300 -1.633 0.000 2.417 62 W HA 0.730 5.404 4.660 0.024 0.000 0.317 62 W C -1.652 174.048 176.519 -1.364 0.000 1.121 62 W CA -0.194 56.365 57.345 -1.310 0.000 1.208 62 W CB 0.897 29.916 29.460 -0.735 0.000 1.253 62 W HN 0.501 nan 8.180 nan 0.000 0.533 63 F N 6.090 125.376 119.950 -1.107 0.000 2.577 63 F HA 0.398 4.939 4.527 0.024 0.000 0.318 63 F C -1.340 173.498 175.800 -1.603 0.000 1.065 63 F CA -2.391 55.035 58.000 -0.957 0.000 0.929 63 F CB 1.617 40.230 39.000 -0.644 0.000 1.237 63 F HN 0.199 nan 8.300 nan 0.000 0.468 64 P HA 0.181 nan 4.420 nan 0.000 0.240 64 P C -0.433 176.735 177.300 -0.221 0.000 1.190 64 P CA 0.676 63.487 63.100 -0.481 0.000 0.781 64 P CB 0.767 32.493 31.700 0.044 0.000 0.931 65 A N -0.218 122.477 122.820 -0.208 0.000 2.605 65 A HA 0.525 4.860 4.320 0.024 0.000 0.294 65 A C -2.453 175.018 177.584 -0.190 0.000 1.062 65 A CA -1.003 50.961 52.037 -0.121 0.000 0.682 65 A CB 0.537 19.532 19.000 -0.008 0.000 1.278 65 A HN -0.300 nan 8.150 nan 0.000 0.410 66 P HA -0.097 nan 4.420 nan 0.000 0.218 66 P C 0.676 177.863 177.300 -0.190 0.000 1.149 66 P CA 1.430 64.384 63.100 -0.242 0.000 0.817 66 P CB 0.216 31.765 31.700 -0.252 0.000 0.785 67 E N 0.151 120.303 120.200 -0.080 0.000 2.401 67 E HA -0.043 4.321 4.350 0.024 0.000 0.199 67 E C 1.868 178.386 176.600 -0.137 0.000 1.023 67 E CA 1.061 57.423 56.400 -0.063 0.000 0.859 67 E CB -0.760 28.944 29.700 0.007 0.000 0.780 67 E HN 0.243 nan 8.360 nan 0.000 0.523 68 A N 0.396 123.097 122.820 -0.199 0.000 2.307 68 A HA 0.139 4.474 4.320 0.024 0.000 0.218 68 A C 0.492 177.752 177.584 -0.540 0.000 1.228 68 A CA -0.212 51.692 52.037 -0.221 0.000 0.857 68 A CB 0.304 19.260 19.000 -0.074 0.000 0.897 68 A HN 0.031 nan 8.150 nan 0.000 0.495 69 V N 2.778 122.291 119.914 -0.669 0.000 2.432 69 V HA 0.224 4.359 4.120 0.024 0.000 0.271 69 V C -2.211 173.551 176.094 -0.553 0.000 1.046 69 V CA -1.621 60.078 62.300 -1.001 0.000 0.945 69 V CB 0.713 31.945 31.823 -0.984 0.000 0.992 69 V HN 0.294 nan 8.190 nan 0.000 0.471 70 P HA 0.189 nan 4.420 nan 0.000 0.268 70 P C 0.291 177.518 177.300 -0.122 0.000 1.204 70 P CA -0.254 62.724 63.100 -0.204 0.000 0.768 70 P CB 0.880 32.516 31.700 -0.107 0.000 0.842 71 E N 0.933 121.078 120.200 -0.091 0.000 2.204 71 E HA -0.172 4.193 4.350 0.024 0.000 0.195 71 E C 1.881 178.451 176.600 -0.050 0.000 0.990 71 E CA 1.650 58.004 56.400 -0.077 0.000 0.821 71 E CB -0.814 28.846 29.700 -0.067 0.000 0.750 71 E HN 0.525 nan 8.360 nan 0.000 0.477 72 S N 0.259 115.948 115.700 -0.019 0.000 2.387 72 S HA -0.266 4.218 4.470 0.024 0.000 0.230 72 S C 1.796 176.408 174.600 0.021 0.000 1.035 72 S CA 1.049 59.248 58.200 -0.001 0.000 1.014 72 S CB -1.013 62.195 63.200 0.014 0.000 0.836 72 S HN 0.586 nan 8.310 nan 0.000 0.466 73 W N 2.466 123.673 121.300 -0.155 0.000 2.331 73 W HA -0.072 4.603 4.660 0.024 0.000 0.291 73 W C 1.669 178.077 176.519 -0.185 0.000 1.214 73 W CA 1.098 58.351 57.345 -0.154 0.000 1.228 73 W CB -0.406 28.941 29.460 -0.188 0.000 1.135 73 W HN 0.264 nan 8.180 nan 0.000 0.537 74 L N 0.147 121.191 121.223 -0.299 0.000 2.093 74 L HA -0.178 4.177 4.340 0.024 0.000 0.208 74 L C 2.537 179.193 176.870 -0.357 0.000 1.085 74 L CA 1.357 55.863 54.840 -0.556 0.000 0.755 74 L CB -0.695 41.064 42.059 -0.500 0.000 0.904 74 L HN -0.067 nan 8.230 nan 0.000 0.435 75 E N -0.865 119.210 120.200 -0.208 0.000 2.216 75 E HA 0.031 4.396 4.350 0.024 0.000 0.192 75 E C 0.334 176.862 176.600 -0.120 0.000 0.973 75 E CA 0.556 56.878 56.400 -0.129 0.000 0.851 75 E CB 0.521 30.177 29.700 -0.073 0.000 0.804 75 E HN 0.522 nan 8.360 nan 0.000 0.477 76 C N -0.759 118.472 119.300 -0.115 0.000 3.284 76 C HA 0.398 4.872 4.460 0.024 0.000 0.338 76 C C -0.359 174.615 174.990 -0.026 0.000 1.237 76 C CA -1.841 57.133 59.018 -0.074 0.000 1.276 76 C CB 0.650 28.370 27.740 -0.033 0.000 1.601 76 C HN 0.106 nan 8.230 nan 0.000 0.494 77 D N 0.867 121.264 120.400 -0.005 0.000 2.648 77 D HA 0.218 4.873 4.640 0.024 0.000 0.229 77 D C -0.208 176.161 176.300 0.116 0.000 1.119 77 D CA 0.622 54.665 54.000 0.071 0.000 0.850 77 D CB 0.457 41.291 40.800 0.056 0.000 1.169 77 D HN 0.532 nan 8.370 nan 0.000 0.489 78 L N 6.437 127.776 121.223 0.193 0.000 2.290 78 L HA 0.274 4.629 4.340 0.024 0.000 0.284 78 L C -1.081 175.847 176.870 0.097 0.000 1.078 78 L CA -1.575 53.353 54.840 0.148 0.000 0.815 78 L CB 1.158 43.317 42.059 0.167 0.000 1.162 78 L HN 0.469 nan 8.230 nan 0.000 0.435 79 P HA -0.213 nan 4.420 nan 0.000 0.216 79 P C 0.732 178.059 177.300 0.044 0.000 1.154 79 P CA 1.420 64.550 63.100 0.050 0.000 0.865 79 P CB 0.224 31.947 31.700 0.039 0.000 0.789 80 E N 0.005 120.228 120.200 0.038 0.000 2.418 80 E HA 0.168 4.533 4.350 0.024 0.000 0.197 80 E C 1.180 177.789 176.600 0.015 0.000 1.026 80 E CA 0.238 56.650 56.400 0.020 0.000 0.862 80 E CB -1.002 28.698 29.700 0.001 0.000 0.799 80 E HN 0.266 nan 8.360 nan 0.000 0.518 81 A N 1.452 124.289 122.820 0.029 0.000 2.429 81 A HA 0.105 4.439 4.320 0.024 0.000 0.242 81 A C 0.087 177.716 177.584 0.076 0.000 1.088 81 A CA -0.070 51.983 52.037 0.025 0.000 0.784 81 A CB 0.242 19.285 19.000 0.072 0.000 1.038 81 A HN 0.033 nan 8.150 nan 0.000 0.501 82 D N -0.358 120.114 120.400 0.120 0.000 2.384 82 D HA 0.469 5.124 4.640 0.024 0.000 0.250 82 D C -0.780 175.636 176.300 0.193 0.000 1.029 82 D CA -0.091 54.008 54.000 0.165 0.000 0.990 82 D CB 1.244 42.192 40.800 0.246 0.000 1.175 82 D HN 0.388 nan 8.370 nan 0.000 0.532 83 T N 0.687 115.341 114.554 0.167 0.000 2.801 83 T HA 0.437 4.801 4.350 0.024 0.000 0.306 83 T C 0.247 175.048 174.700 0.169 0.000 1.020 83 T CA -0.612 61.593 62.100 0.176 0.000 0.948 83 T CB 0.489 69.435 68.868 0.130 0.000 0.962 83 T HN 0.281 nan 8.240 nan 0.000 0.465 84 V N 1.436 121.489 119.914 0.232 0.000 3.103 84 V HA 0.817 4.952 4.120 0.024 0.000 0.318 84 V C -0.136 176.095 176.094 0.228 0.000 1.114 84 V CA -1.014 61.391 62.300 0.176 0.000 1.020 84 V CB 1.645 33.611 31.823 0.237 0.000 1.085 84 V HN 0.456 nan 8.190 nan 0.000 0.446 85 V N 1.935 121.960 119.914 0.186 0.000 2.546 85 V HA 0.489 4.624 4.120 0.024 0.000 0.284 85 V C 0.076 176.268 176.094 0.163 0.000 1.050 85 V CA -0.216 62.191 62.300 0.179 0.000 0.981 85 V CB 1.364 33.255 31.823 0.114 0.000 0.990 85 V HN 0.745 nan 8.190 nan 0.000 0.474 86 V N 6.906 126.839 119.914 0.032 0.000 2.555 86 V HA 0.446 4.581 4.120 0.024 0.000 0.302 86 V C -2.219 173.764 176.094 -0.184 0.000 1.038 86 V CA -1.855 60.318 62.300 -0.211 0.000 0.887 86 V CB 2.272 33.640 31.823 -0.759 0.000 0.991 86 V HN 0.762 nan 8.190 nan 0.000 0.434 87 P HA 0.383 nan 4.420 nan 0.000 0.272 87 P C -0.721 176.505 177.300 -0.123 0.000 1.223 87 P CA -0.021 62.954 63.100 -0.208 0.000 0.784 87 P CB 1.073 32.663 31.700 -0.184 0.000 0.923 88 S N 0.094 115.728 115.700 -0.110 0.000 2.611 88 S HA 0.390 4.875 4.470 0.024 0.000 0.270 88 S C -1.349 173.166 174.600 -0.141 0.000 1.131 88 S CA -1.061 57.058 58.200 -0.134 0.000 0.826 88 S CB 0.349 63.446 63.200 -0.172 0.000 1.095 88 S HN 0.347 nan 8.310 nan 0.000 0.461 89 N N 0.984 119.535 118.700 -0.249 0.000 2.408 89 N HA 0.441 5.195 4.740 0.024 0.000 0.280 89 N C 0.537 175.845 175.510 -0.337 0.000 1.002 89 N CA -0.835 52.034 53.050 -0.301 0.000 0.907 89 N CB 0.704 38.990 38.487 -0.335 0.000 1.161 89 N HN 0.857 nan 8.380 nan 0.000 0.488 90 W N 2.451 123.604 121.300 -0.244 0.000 2.421 90 W HA -0.095 4.580 4.660 0.025 0.000 0.270 90 W C 0.943 177.440 176.519 -0.037 0.000 1.233 90 W CA 0.742 57.942 57.345 -0.242 0.000 1.226 90 W CB -0.379 28.851 29.460 -0.385 0.000 1.121 90 W HN 0.507 nan 8.180 nan 0.000 0.579 91 Q N 0.524 120.287 119.800 -0.062 0.000 2.224 91 Q HA -0.089 4.266 4.340 0.024 0.000 0.203 91 Q C 2.118 178.080 176.000 -0.063 0.000 0.970 91 Q CA 1.691 57.477 55.803 -0.028 0.000 0.865 91 Q CB -0.538 28.080 28.738 -0.199 0.000 0.922 91 Q HN 0.298 nan 8.270 nan 0.000 0.445 92 M N -0.863 118.650 119.600 -0.145 0.000 2.659 92 M HA -0.003 4.492 4.480 0.024 0.000 0.243 92 M C 0.523 176.894 176.300 0.118 0.000 1.111 92 M CA 1.179 56.418 55.300 -0.102 0.000 1.070 92 M CB -0.422 32.080 32.600 -0.163 0.000 1.525 92 M HN 0.374 nan 8.290 nan 0.000 0.517 93 H N -0.806 118.304 119.070 0.067 0.000 2.652 93 H HA 0.277 4.848 4.556 0.025 0.000 0.274 93 H C 1.256 176.488 175.328 -0.159 0.000 1.021 93 H CA 0.140 56.211 56.048 0.040 0.000 1.187 93 H CB 0.623 30.539 29.762 0.257 0.000 1.505 93 H HN 0.543 nan 8.280 nan 0.000 0.530 94 G N 0.663 109.484 108.800 0.035 0.000 2.143 94 G HA2 -0.364 3.611 3.960 0.024 0.000 0.249 94 G HA3 -0.364 3.611 3.960 0.024 0.000 0.249 94 G C 0.355 175.148 174.900 -0.178 0.000 0.981 94 G CA 0.403 45.455 45.100 -0.079 0.000 0.665 94 G HN 0.470 nan 8.290 nan 0.000 0.528 95 Y N 1.402 121.736 120.300 0.057 0.000 2.263 95 Y HA 0.243 4.808 4.550 0.024 0.000 0.292 95 Y C 1.719 177.450 175.900 -0.280 0.000 1.130 95 Y CA 1.599 59.629 58.100 -0.116 0.000 1.179 95 Y CB 0.234 38.692 38.460 -0.003 0.000 0.998 95 Y HN 0.620 nan 8.280 nan 0.000 0.532 96 D N -1.472 119.047 120.400 0.198 0.000 2.626 96 D HA 0.479 5.134 4.640 0.024 0.000 0.278 96 D C -1.173 175.233 176.300 0.178 0.000 1.211 96 D CA -0.938 53.155 54.000 0.155 0.000 0.903 96 D CB 0.937 41.945 40.800 0.346 0.000 1.408 96 D HN -0.047 nan 8.370 nan 0.000 0.454 97 A N 0.456 123.385 122.820 0.182 0.000 2.331 97 A HA 0.656 4.991 4.320 0.024 0.000 0.283 97 A C -2.293 175.351 177.584 0.101 0.000 1.142 97 A CA -1.095 51.039 52.037 0.162 0.000 0.812 97 A CB 0.008 19.160 19.000 0.253 0.000 1.074 97 A HN 0.535 nan 8.150 nan 0.000 0.497 98 P HA 0.463 nan 4.420 nan 0.000 0.274 98 P C -0.840 176.635 177.300 0.292 0.000 1.237 98 P CA 0.005 63.087 63.100 -0.031 0.000 0.793 98 P CB 0.747 32.219 31.700 -0.380 0.000 0.977 99 I N 1.353 122.176 120.570 0.422 0.000 2.545 99 I HA 0.267 4.451 4.170 0.024 0.000 0.292 99 I C -0.715 175.537 176.117 0.225 0.000 1.040 99 I CA -0.936 60.593 61.300 0.380 0.000 1.068 99 I CB 1.916 40.078 38.000 0.272 0.000 1.251 99 I HN 0.257 nan 8.210 nan 0.000 0.424 100 Y N 5.701 125.878 120.300 -0.205 0.000 2.491 100 Y HA 0.553 5.118 4.550 0.024 0.000 0.334 100 Y C -0.354 175.378 175.900 -0.280 0.000 0.969 100 Y CA -0.497 57.218 58.100 -0.642 0.000 1.241 100 Y CB 1.067 38.751 38.460 -1.295 0.000 1.105 100 Y HN 0.540 nan 8.280 nan 0.000 0.503 101 T N 5.448 119.477 114.554 -0.875 0.000 2.886 101 T HA 0.256 4.620 4.350 0.024 0.000 0.292 101 T C 0.152 174.354 174.700 -0.829 0.000 1.012 101 T CA -0.595 61.041 62.100 -0.773 0.000 0.982 101 T CB 1.037 69.696 68.868 -0.349 0.000 1.018 101 T HN 0.745 nan 8.240 nan 0.000 0.451 102 N N 2.907 121.159 118.700 -0.747 0.000 2.272 102 N HA 0.038 4.792 4.740 0.024 0.000 0.195 102 N C 1.610 176.904 175.510 -0.360 0.000 1.048 102 N CA 1.498 54.272 53.050 -0.460 0.000 0.912 102 N CB -0.578 37.682 38.487 -0.379 0.000 1.096 102 N HN 0.408 nan 8.380 nan 0.000 0.471 103 V N 0.595 120.283 119.914 -0.377 0.000 2.426 103 V HA 0.075 4.210 4.120 0.024 0.000 0.242 103 V C 0.454 176.317 176.094 -0.384 0.000 1.036 103 V CA 0.914 62.994 62.300 -0.367 0.000 1.044 103 V CB -0.841 30.770 31.823 -0.353 0.000 0.688 103 V HN 0.321 nan 8.190 nan 0.000 0.462 104 T N 1.333 115.701 114.554 -0.310 0.000 2.831 104 T HA 0.086 4.451 4.350 0.024 0.000 0.291 104 T C -0.310 174.259 174.700 -0.219 0.000 0.981 104 T CA 0.292 62.257 62.100 -0.225 0.000 1.174 104 T CB -0.405 68.366 68.868 -0.161 0.000 0.929 104 T HN 0.194 nan 8.240 nan 0.000 0.532 105 Y N 4.814 125.035 120.300 -0.132 0.000 2.683 105 Y HA 0.097 4.662 4.550 0.024 0.000 0.340 105 Y C -0.859 174.925 175.900 -0.193 0.000 1.245 105 Y CA -1.750 56.257 58.100 -0.155 0.000 1.485 105 Y CB 0.348 38.711 38.460 -0.161 0.000 1.328 105 Y HN 0.523 nan 8.280 nan 0.000 0.603 106 P HA -0.034 nan 4.420 nan 0.000 0.237 106 P C -0.309 176.786 177.300 -0.342 0.000 1.178 106 P CA 1.169 64.173 63.100 -0.161 0.000 0.766 106 P CB -0.016 31.612 31.700 -0.120 0.000 0.876 107 I N -5.886 114.460 120.570 -0.374 0.000 3.042 107 I HA 0.494 4.679 4.170 0.024 0.000 0.310 107 I C -0.570 175.424 176.117 -0.205 0.000 1.117 107 I CA -1.231 59.814 61.300 -0.425 0.000 1.003 107 I CB 1.782 39.359 38.000 -0.705 0.000 1.228 107 I HN -0.481 nan 8.210 nan 0.000 0.443 108 T N 2.729 117.199 114.554 -0.140 0.000 2.934 108 T HA 0.137 4.502 4.350 0.024 0.000 0.306 108 T C 0.145 174.837 174.700 -0.013 0.000 1.042 108 T CA -0.136 61.936 62.100 -0.047 0.000 1.145 108 T CB 0.572 69.433 68.868 -0.012 0.000 0.982 108 T HN 0.377 nan 8.240 nan 0.000 0.544 109 V N 4.962 124.888 119.914 0.020 0.000 2.370 109 V HA 0.247 4.381 4.120 0.024 0.000 0.257 109 V C 0.664 176.803 176.094 0.075 0.000 1.064 109 V CA -0.213 62.119 62.300 0.053 0.000 0.975 109 V CB -0.007 31.832 31.823 0.026 0.000 1.067 109 V HN 0.888 nan 8.190 nan 0.000 0.485 110 N N 6.088 124.890 118.700 0.169 0.000 2.639 110 N HA 0.259 5.014 4.740 0.024 0.000 0.265 110 N C -2.984 172.647 175.510 0.202 0.000 1.689 110 N CA -1.213 51.940 53.050 0.172 0.000 0.813 110 N CB 1.381 39.997 38.487 0.214 0.000 1.353 110 N HN 0.258 nan 8.380 nan 0.000 0.510 111 P HA 0.171 nan 4.420 nan 0.000 0.266 111 P C -2.167 174.939 177.300 -0.325 0.000 1.195 111 P CA -0.741 61.975 63.100 -0.640 0.000 0.768 111 P CB 0.430 31.564 31.700 -0.943 0.000 0.838 112 P HA 0.175 nan 4.420 nan 0.000 0.258 112 P C -0.380 176.775 177.300 -0.242 0.000 1.416 112 P CA -0.151 62.760 63.100 -0.316 0.000 0.927 112 P CB -0.018 31.465 31.700 -0.362 0.000 1.444 113 F N 1.001 121.067 119.950 0.194 0.000 2.380 113 F HA 0.285 4.827 4.527 0.025 0.000 0.325 113 F C 1.395 177.362 175.800 0.279 0.000 1.136 113 F CA -0.666 57.454 58.000 0.200 0.000 1.171 113 F CB 0.577 39.644 39.000 0.111 0.000 1.230 113 F HN -0.215 nan 8.300 nan 0.000 0.554 114 V N -1.210 118.972 119.914 0.447 0.000 3.113 114 V HA 0.705 4.840 4.120 0.024 0.000 0.316 114 V C -2.733 173.520 176.094 0.265 0.000 1.125 114 V CA -2.776 59.706 62.300 0.303 0.000 1.026 114 V CB 1.331 33.381 31.823 0.378 0.000 1.080 114 V HN 0.495 nan 8.190 nan 0.000 0.444 115 P HA 0.232 nan 4.420 nan 0.000 0.269 115 P C 0.935 178.376 177.300 0.234 0.000 1.215 115 P CA 0.357 63.548 63.100 0.153 0.000 0.780 115 P CB 0.564 32.323 31.700 0.099 0.000 0.898 116 T N -2.296 112.369 114.554 0.185 0.000 2.942 116 T HA -0.041 4.323 4.350 0.024 0.000 0.265 116 T C 0.756 175.561 174.700 0.175 0.000 1.062 116 T CA 0.723 62.935 62.100 0.186 0.000 1.139 116 T CB -0.367 68.580 68.868 0.131 0.000 0.883 116 T HN 0.230 nan 8.240 nan 0.000 0.468 117 E N 3.125 123.428 120.200 0.172 0.000 1.858 117 E HA 0.259 4.624 4.350 0.024 0.000 0.267 117 E C -0.788 175.963 176.600 0.252 0.000 1.215 117 E CA -0.084 56.424 56.400 0.180 0.000 0.952 117 E CB -0.239 29.569 29.700 0.180 0.000 1.058 117 E HN 0.350 nan 8.360 nan 0.000 0.407 118 N N 4.057 122.875 118.700 0.196 0.000 2.623 118 N HA 0.265 5.020 4.740 0.024 0.000 0.256 118 N C -2.854 172.666 175.510 0.017 0.000 1.045 118 N CA -2.319 50.870 53.050 0.231 0.000 0.863 118 N CB 1.184 39.814 38.487 0.237 0.000 1.182 118 N HN -0.062 nan 8.380 nan 0.000 0.523 119 P HA -0.007 nan 4.420 nan 0.000 0.258 119 P C -0.857 176.322 177.300 -0.203 0.000 1.172 119 P CA 0.574 63.580 63.100 -0.157 0.000 0.762 119 P CB 0.265 32.178 31.700 0.355 0.000 0.764 120 T N 2.982 117.158 114.554 -0.628 0.000 2.786 120 T HA 0.525 4.890 4.350 0.024 0.000 0.283 120 T C 0.427 174.608 174.700 -0.864 0.000 0.992 120 T CA -0.594 61.199 62.100 -0.512 0.000 0.954 120 T CB 1.461 70.084 68.868 -0.409 0.000 0.934 120 T HN 0.319 nan 8.240 nan 0.000 0.440 121 G N 1.090 109.420 108.800 -0.784 0.000 2.319 121 G HA2 0.452 4.427 3.960 0.024 0.000 0.308 121 G HA3 0.452 4.427 3.960 0.024 0.000 0.308 121 G C -0.205 174.482 174.900 -0.355 0.000 1.117 121 G CA -0.372 44.228 45.100 -0.832 0.000 0.903 121 G HN 0.862 nan 8.290 nan 0.000 0.436 122 C N 3.444 122.320 119.300 -0.707 0.000 2.200 122 C HA 0.460 4.935 4.460 0.024 0.000 0.328 122 C C -0.513 174.555 174.990 0.130 0.000 1.148 122 C CA -0.923 57.866 59.018 -0.383 0.000 1.624 122 C CB -1.805 25.299 27.740 -1.060 0.000 2.167 122 C HN 0.614 nan 8.230 nan 0.000 0.484 123 Y N 1.892 122.552 120.300 0.598 0.000 2.419 123 Y HA 0.670 5.234 4.550 0.025 0.000 0.328 123 Y C 0.767 177.129 175.900 0.770 0.000 1.162 123 Y CA -0.451 58.078 58.100 0.715 0.000 1.174 123 Y CB 1.358 40.239 38.460 0.701 0.000 1.228 123 Y HN 0.652 nan 8.280 nan 0.000 0.473 124 S N 1.753 117.950 115.700 0.828 0.000 2.570 124 S HA 0.793 5.278 4.470 0.024 0.000 0.270 124 S C -2.014 172.591 174.600 0.009 0.000 1.149 124 S CA -0.798 57.614 58.200 0.353 0.000 0.837 124 S CB 2.091 65.378 63.200 0.145 0.000 1.124 124 S HN 0.635 nan 8.310 nan 0.000 0.465 125 L N 0.910 121.957 121.223 -0.294 0.000 2.543 125 L HA 0.713 5.068 4.340 0.024 0.000 0.265 125 L C -1.108 175.687 176.870 -0.124 0.000 0.945 125 L CA 0.148 54.648 54.840 -0.566 0.000 0.869 125 L CB 2.120 43.273 42.059 -1.509 0.000 1.294 125 L HN 0.912 nan 8.230 nan 0.000 0.405 126 T N 6.061 120.584 114.554 -0.051 0.000 2.767 126 T HA 0.792 5.156 4.350 0.024 0.000 0.284 126 T C -0.808 173.986 174.700 0.157 0.000 0.973 126 T CA 0.044 62.175 62.100 0.051 0.000 0.996 126 T CB 0.241 69.093 68.868 -0.028 0.000 0.927 126 T HN 0.506 nan 8.240 nan 0.000 0.456 127 F N 0.930 120.786 119.950 -0.156 0.000 2.773 127 F HA 0.674 5.216 4.527 0.025 0.000 0.314 127 F C -1.045 174.683 175.800 -0.120 0.000 1.160 127 F CA -1.568 56.345 58.000 -0.145 0.000 0.920 127 F CB 1.332 40.227 39.000 -0.176 0.000 1.323 127 F HN 0.386 nan 8.300 nan 0.000 0.457 128 N N 0.148 118.775 118.700 -0.122 0.000 2.466 128 N HA 0.715 5.470 4.740 0.024 0.000 0.294 128 N C -1.988 173.433 175.510 -0.148 0.000 1.129 128 N CA -0.494 52.430 53.050 -0.210 0.000 0.931 128 N CB 2.077 40.496 38.487 -0.113 0.000 1.193 128 N HN 0.664 nan 8.380 nan 0.000 0.500 129 V N 2.106 121.894 119.914 -0.209 0.000 2.623 129 V HA 0.279 4.414 4.120 0.024 0.000 0.304 129 V C -1.148 174.858 176.094 -0.147 0.000 1.054 129 V CA -1.021 61.170 62.300 -0.181 0.000 0.882 129 V CB 1.693 33.453 31.823 -0.106 0.000 1.002 129 V HN 0.735 nan 8.190 nan 0.000 0.424 130 D N 3.073 123.352 120.400 -0.201 0.000 2.350 130 D HA 0.118 4.773 4.640 0.024 0.000 0.249 130 D C 0.920 177.248 176.300 0.046 0.000 1.119 130 D CA -0.295 53.657 54.000 -0.078 0.000 0.886 130 D CB 1.877 42.633 40.800 -0.074 0.000 1.195 130 D HN 0.668 nan 8.370 nan 0.000 0.437 131 E N 1.331 121.560 120.200 0.048 0.000 2.209 131 E HA -0.199 4.166 4.350 0.024 0.000 0.196 131 E C 1.530 178.203 176.600 0.121 0.000 0.993 131 E CA 1.392 57.840 56.400 0.079 0.000 0.819 131 E CB -0.058 29.670 29.700 0.047 0.000 0.745 131 E HN 0.446 nan 8.360 nan 0.000 0.477 132 S N -0.813 114.966 115.700 0.130 0.000 2.400 132 S HA -0.191 4.293 4.470 0.024 0.000 0.232 132 S C 1.679 176.339 174.600 0.100 0.000 1.025 132 S CA 1.089 59.355 58.200 0.110 0.000 0.993 132 S CB -0.834 62.435 63.200 0.116 0.000 0.808 132 S HN 0.402 nan 8.310 nan 0.000 0.478 133 W N 1.595 122.827 121.300 -0.113 0.000 2.402 133 W HA 0.286 4.960 4.660 0.025 0.000 0.286 133 W C 2.018 178.610 176.519 0.122 0.000 1.221 133 W CA 0.161 57.433 57.345 -0.121 0.000 1.257 133 W CB -0.464 29.000 29.460 0.006 0.000 1.120 133 W HN 0.289 nan 8.180 nan 0.000 0.551 134 L N -0.513 120.887 121.223 0.295 0.000 2.408 134 L HA -0.046 4.309 4.340 0.024 0.000 0.215 134 L C 2.482 179.445 176.870 0.155 0.000 1.081 134 L CA 0.587 55.559 54.840 0.221 0.000 0.840 134 L CB -0.810 41.345 42.059 0.159 0.000 1.002 134 L HN -0.003 nan 8.230 nan 0.000 0.468 135 Q N 1.495 121.370 119.800 0.125 0.000 2.181 135 Q HA -0.136 4.219 4.340 0.024 0.000 0.205 135 Q C 0.378 176.431 176.000 0.088 0.000 0.980 135 Q CA 1.173 57.027 55.803 0.085 0.000 0.862 135 Q CB -0.306 28.468 28.738 0.060 0.000 0.905 135 Q HN 0.622 nan 8.270 nan 0.000 0.429 136 E N -1.053 119.222 120.200 0.126 0.000 2.430 136 E HA 0.532 4.897 4.350 0.024 0.000 0.279 136 E C -0.154 176.570 176.600 0.207 0.000 1.003 136 E CA -0.804 55.668 56.400 0.120 0.000 0.801 136 E CB 1.452 31.203 29.700 0.086 0.000 1.313 136 E HN 0.186 nan 8.360 nan 0.000 0.459 137 G N 0.725 109.572 108.800 0.079 0.000 2.681 137 G HA2 -0.228 3.746 3.960 0.024 0.000 0.220 137 G HA3 -0.228 3.746 3.960 0.024 0.000 0.220 137 G C -0.911 173.895 174.900 -0.156 0.000 1.353 137 G CA 0.034 45.081 45.100 -0.088 0.000 0.872 137 G HN 0.775 nan 8.290 nan 0.000 0.557 138 Q N -0.541 119.006 119.800 -0.422 0.000 2.337 138 Q HA 0.656 5.011 4.340 0.024 0.000 0.270 138 Q C -1.013 174.818 176.000 -0.281 0.000 1.043 138 Q CA -0.505 55.155 55.803 -0.239 0.000 0.794 138 Q CB 1.672 30.309 28.738 -0.168 0.000 1.281 138 Q HN 0.647 nan 8.270 nan 0.000 0.446 139 T N 4.686 119.245 114.554 0.008 0.000 2.770 139 T HA 0.493 4.857 4.350 0.024 0.000 0.283 139 T C -0.694 174.110 174.700 0.174 0.000 0.988 139 T CA -0.648 61.555 62.100 0.171 0.000 0.957 139 T CB 0.659 69.764 68.868 0.395 0.000 0.930 139 T HN 0.651 nan 8.240 nan 0.000 0.443 140 R N 3.000 123.594 120.500 0.156 0.000 2.803 140 R HA 0.772 5.127 4.340 0.024 0.000 0.276 140 R C -1.182 175.208 176.300 0.150 0.000 0.978 140 R CA -0.940 55.250 56.100 0.150 0.000 0.939 140 R CB 1.446 31.806 30.300 0.101 0.000 1.179 140 R HN 0.606 nan 8.270 nan 0.000 0.472 141 I N 3.304 123.965 120.570 0.153 0.000 2.460 141 I HA 0.429 4.614 4.170 0.024 0.000 0.298 141 I C -1.073 175.062 176.117 0.030 0.000 0.989 141 I CA -1.182 60.151 61.300 0.054 0.000 1.173 141 I CB 1.262 39.293 38.000 0.051 0.000 1.338 141 I HN 0.649 nan 8.210 nan 0.000 0.456 142 I N 7.300 127.786 120.570 -0.141 0.000 2.406 142 I HA 0.290 4.475 4.170 0.024 0.000 0.290 142 I C -1.219 174.699 176.117 -0.331 0.000 0.999 142 I CA -0.428 60.805 61.300 -0.112 0.000 1.124 142 I CB 1.437 39.391 38.000 -0.077 0.000 1.289 142 I HN 0.405 nan 8.210 nan 0.000 0.441 143 F N 4.546 124.465 119.950 -0.052 0.000 2.313 143 F HA 0.251 4.793 4.527 0.024 0.000 0.369 143 F C 1.318 176.982 175.800 -0.226 0.000 1.109 143 F CA -0.493 57.396 58.000 -0.185 0.000 1.132 143 F CB 0.558 39.374 39.000 -0.308 0.000 1.291 143 F HN 0.457 nan 8.300 nan 0.000 0.496 144 D N 2.276 122.568 120.400 -0.180 0.000 2.221 144 D HA 0.003 4.658 4.640 0.024 0.000 0.204 144 D C 1.053 177.169 176.300 -0.306 0.000 0.982 144 D CA 1.064 54.919 54.000 -0.242 0.000 0.857 144 D CB 0.292 40.895 40.800 -0.328 0.000 0.934 144 D HN 0.624 nan 8.370 nan 0.000 0.475 145 G N -0.762 107.791 108.800 -0.411 0.000 2.715 145 G HA2 0.446 4.421 3.960 0.024 0.000 0.297 145 G HA3 0.446 4.421 3.960 0.024 0.000 0.297 145 G C -1.552 173.062 174.900 -0.476 0.000 1.386 145 G CA -0.470 44.277 45.100 -0.590 0.000 1.157 145 G HN -0.056 nan 8.290 nan 0.000 0.585 146 V N 2.400 122.260 119.914 -0.091 0.000 2.524 146 V HA 0.506 4.641 4.120 0.024 0.000 0.297 146 V C -0.838 175.358 176.094 0.169 0.000 1.035 146 V CA -1.183 61.096 62.300 -0.036 0.000 0.867 146 V CB 1.864 33.437 31.823 -0.417 0.000 1.004 146 V HN 0.706 nan 8.190 nan 0.000 0.426 147 N N 2.621 121.414 118.700 0.155 0.000 2.476 147 N HA 0.328 5.082 4.740 0.024 0.000 0.257 147 N C 0.609 176.044 175.510 -0.126 0.000 0.970 147 N CA 0.245 53.279 53.050 -0.028 0.000 0.938 147 N CB 2.135 40.437 38.487 -0.309 0.000 1.144 147 N HN 0.697 nan 8.380 nan 0.000 0.500 148 S N 2.006 117.671 115.700 -0.058 0.000 2.549 148 S HA 0.560 5.045 4.470 0.024 0.000 0.225 148 S C 0.296 174.952 174.600 0.092 0.000 1.039 148 S CA 0.123 58.337 58.200 0.023 0.000 0.942 148 S CB 0.342 63.557 63.200 0.026 0.000 0.881 148 S HN 0.613 nan 8.310 nan 0.000 0.503 149 A N 0.827 123.712 122.820 0.110 0.000 2.606 149 A HA 0.777 5.112 4.320 0.024 0.000 0.293 149 A C -1.277 176.383 177.584 0.126 0.000 1.082 149 A CA -0.948 51.120 52.037 0.051 0.000 0.685 149 A CB 0.919 19.966 19.000 0.079 0.000 1.284 149 A HN 1.102 nan 8.150 nan 0.000 0.408 150 F N -0.518 119.247 119.950 -0.309 0.000 2.693 150 F HA 0.749 5.291 4.527 0.024 0.000 0.309 150 F C -1.085 174.568 175.800 -0.244 0.000 1.129 150 F CA -0.775 57.118 58.000 -0.178 0.000 0.948 150 F CB 1.198 40.090 39.000 -0.180 0.000 1.315 150 F HN 0.621 nan 8.300 nan 0.000 0.447 151 H N 1.962 121.112 119.070 0.132 0.000 2.499 151 H HA 0.689 5.260 4.556 0.025 0.000 0.340 151 H C -1.423 173.827 175.328 -0.130 0.000 1.148 151 H CA -0.730 55.285 56.048 -0.056 0.000 1.215 151 H CB 2.507 32.226 29.762 -0.071 0.000 1.529 151 H HN 0.787 nan 8.280 nan 0.000 0.510 152 L N 3.041 123.997 121.223 -0.446 0.000 2.381 152 L HA 0.392 4.747 4.340 0.024 0.000 0.274 152 L C -1.626 174.876 176.870 -0.614 0.000 0.988 152 L CA -0.454 54.166 54.840 -0.367 0.000 0.824 152 L CB 1.367 43.115 42.059 -0.520 0.000 1.263 152 L HN 0.502 nan 8.230 nan 0.000 0.410 153 W N 4.326 125.578 121.300 -0.081 0.000 2.781 153 W HA 0.594 5.269 4.660 0.025 0.000 0.345 153 W C -1.141 175.306 176.519 -0.120 0.000 1.085 153 W CA -0.829 56.457 57.345 -0.098 0.000 1.198 153 W CB 2.109 31.553 29.460 -0.027 0.000 1.423 153 W HN 0.584 nan 8.180 nan 0.000 0.532 154 C N 4.955 124.320 119.300 0.109 0.000 2.383 154 C HA 0.280 4.755 4.460 0.024 0.000 0.330 154 C C 0.131 175.244 174.990 0.205 0.000 1.168 154 C CA -0.374 58.709 59.018 0.109 0.000 1.374 154 C CB -0.952 26.791 27.740 0.004 0.000 2.014 154 C HN 0.799 nan 8.230 nan 0.000 0.439 155 N N 3.771 122.549 118.700 0.129 0.000 2.740 155 N HA -0.186 4.569 4.740 0.024 0.000 0.248 155 N C 0.956 176.532 175.510 0.109 0.000 1.062 155 N CA 1.810 54.914 53.050 0.090 0.000 0.704 155 N CB -1.402 37.132 38.487 0.079 0.000 0.968 155 N HN 1.834 nan 8.380 nan 0.000 0.547 156 G N -0.920 107.940 108.800 0.100 0.000 2.212 156 G HA2 -0.377 3.598 3.960 0.024 0.000 0.266 156 G HA3 -0.377 3.598 3.960 0.024 0.000 0.266 156 G C 0.151 175.216 174.900 0.275 0.000 0.978 156 G CA 0.704 45.860 45.100 0.092 0.000 0.632 156 G HN 0.561 nan 8.290 nan 0.000 0.537 157 R N -0.862 119.865 120.500 0.378 0.000 2.346 157 R HA 0.428 4.783 4.340 0.024 0.000 0.311 157 R C -0.209 176.412 176.300 0.534 0.000 0.983 157 R CA -0.918 55.479 56.100 0.496 0.000 0.880 157 R CB 0.793 31.400 30.300 0.511 0.000 1.100 157 R HN 0.242 nan 8.270 nan 0.000 0.453 158 W N 4.196 125.683 121.300 0.312 0.000 2.253 158 W HA 0.102 4.777 4.660 0.024 0.000 0.322 158 W C -0.035 176.375 176.519 -0.180 0.000 1.342 158 W CA -0.048 57.182 57.345 -0.191 0.000 1.218 158 W CB 0.723 30.068 29.460 -0.192 0.000 1.205 158 W HN 0.339 nan 8.180 nan 0.000 0.551 159 V N 5.268 124.378 119.914 -1.340 0.000 2.743 159 V HA 0.548 4.682 4.120 0.024 0.000 0.237 159 V C 1.044 176.130 176.094 -1.680 0.000 1.113 159 V CA 0.960 62.459 62.300 -1.334 0.000 1.141 159 V CB -0.498 30.595 31.823 -1.217 0.000 0.873 159 V HN 0.834 nan 8.190 nan 0.000 0.486 160 G N -1.677 105.887 108.800 -2.060 0.000 2.427 160 G HA2 0.473 4.447 3.960 0.024 0.000 0.306 160 G HA3 0.473 4.447 3.960 0.024 0.000 0.306 160 G C -2.451 171.991 174.900 -0.764 0.000 1.280 160 G CA -0.278 44.012 45.100 -1.350 0.000 0.837 160 G HN 0.029 nan 8.290 nan 0.000 0.482 161 Y N -0.442 119.597 120.300 -0.436 0.000 2.534 161 Y HA 0.701 5.266 4.550 0.024 0.000 0.345 161 Y C -0.107 175.556 175.900 -0.395 0.000 1.031 161 Y CA -0.101 57.678 58.100 -0.534 0.000 1.022 161 Y CB 2.238 40.573 38.460 -0.208 0.000 1.292 161 Y HN 1.198 nan 8.280 nan 0.000 0.459 162 G N 3.942 111.800 108.800 -1.571 0.000 2.706 162 G HA2 0.592 4.567 3.960 0.024 0.000 0.297 162 G HA3 0.592 4.567 3.960 0.024 0.000 0.297 162 G C -2.098 172.336 174.900 -0.776 0.000 1.403 162 G CA -0.880 43.701 45.100 -0.864 0.000 0.954 162 G HN 0.621 nan 8.290 nan 0.000 0.500 163 Q N -0.136 119.470 119.800 -0.324 0.000 2.496 163 Q HA 0.597 4.951 4.340 0.024 0.000 0.286 163 Q C -1.398 174.606 176.000 0.007 0.000 1.103 163 Q CA -0.847 54.890 55.803 -0.109 0.000 0.813 163 Q CB 2.747 31.476 28.738 -0.015 0.000 1.444 163 Q HN 0.643 nan 8.270 nan 0.000 0.443 164 D N -0.255 120.184 120.400 0.064 0.000 4.303 164 D HA -0.098 4.557 4.640 0.024 0.000 0.230 164 D C -0.549 175.814 176.300 0.106 0.000 1.172 164 D CA 0.439 54.491 54.000 0.087 0.000 1.001 164 D CB -0.651 40.186 40.800 0.062 0.000 0.641 164 D HN 0.525 nan 8.370 nan 0.000 0.296 165 S N 3.218 118.995 115.700 0.129 0.000 2.547 165 S HA -0.052 4.433 4.470 0.024 0.000 0.235 165 S C 1.562 176.302 174.600 0.234 0.000 0.980 165 S CA 0.485 58.795 58.200 0.185 0.000 0.941 165 S CB 0.238 63.514 63.200 0.125 0.000 0.763 165 S HN 0.460 nan 8.310 nan 0.000 0.532 166 R N 0.198 120.791 120.500 0.154 0.000 2.472 166 R HA 0.420 4.775 4.340 0.024 0.000 0.279 166 R C -0.309 176.047 176.300 0.094 0.000 0.953 166 R CA 0.073 56.260 56.100 0.146 0.000 1.088 166 R CB 0.140 30.546 30.300 0.178 0.000 1.197 166 R HN 0.331 nan 8.270 nan 0.000 0.536 167 L N 1.648 122.898 121.223 0.044 0.000 2.371 167 L HA 0.509 4.864 4.340 0.024 0.000 0.262 167 L C -2.401 174.446 176.870 -0.038 0.000 1.006 167 L CA -2.290 52.547 54.840 -0.004 0.000 0.818 167 L CB 2.837 44.887 42.059 -0.015 0.000 1.354 167 L HN -0.218 nan 8.230 nan 0.000 0.415 168 P HA 0.151 nan 4.420 nan 0.000 0.275 168 P C -1.052 176.214 177.300 -0.057 0.000 1.228 168 P CA -0.320 62.732 63.100 -0.079 0.000 0.786 168 P CB 1.159 32.778 31.700 -0.134 0.000 0.927 169 S N 1.266 116.989 115.700 0.037 0.000 2.519 169 S HA 0.361 4.846 4.470 0.024 0.000 0.309 169 S C -0.578 174.015 174.600 -0.011 0.000 1.100 169 S CA -0.600 57.606 58.200 0.009 0.000 1.059 169 S CB 0.975 64.362 63.200 0.312 0.000 1.008 169 S HN 0.367 nan 8.310 nan 0.000 0.478 170 E N 1.855 121.826 120.200 -0.381 0.000 2.266 170 E HA 0.617 4.981 4.350 0.024 0.000 0.268 170 E C -1.512 174.686 176.600 -0.670 0.000 0.879 170 E CA -0.653 55.590 56.400 -0.261 0.000 0.762 170 E CB 1.824 31.460 29.700 -0.107 0.000 1.199 170 E HN 0.416 nan 8.360 nan 0.000 0.422 171 F N 0.469 120.473 119.950 0.091 0.000 2.578 171 F HA 0.207 4.749 4.527 0.025 0.000 0.311 171 F C -0.159 175.670 175.800 0.049 0.000 1.094 171 F CA -1.131 56.891 58.000 0.037 0.000 0.923 171 F CB 1.559 40.547 39.000 -0.021 0.000 1.230 171 F HN 0.273 nan 8.300 nan 0.000 0.450 172 D N 2.729 123.255 120.400 0.210 0.000 2.343 172 D HA 0.247 4.902 4.640 0.024 0.000 0.255 172 D C 0.252 176.701 176.300 0.249 0.000 1.187 172 D CA 0.313 54.425 54.000 0.187 0.000 0.875 172 D CB 1.018 41.909 40.800 0.152 0.000 1.136 172 D HN 0.598 nan 8.370 nan 0.000 0.469 173 L N 2.787 124.163 121.223 0.254 0.000 2.693 173 L HA 0.053 4.407 4.340 0.024 0.000 0.235 173 L C 2.113 179.211 176.870 0.381 0.000 1.127 173 L CA -0.190 54.853 54.840 0.338 0.000 0.914 173 L CB 0.102 42.311 42.059 0.251 0.000 1.193 173 L HN 0.287 nan 8.230 nan 0.000 0.502 174 S N 1.357 117.221 115.700 0.273 0.000 2.368 174 S HA -0.290 4.195 4.470 0.024 0.000 0.226 174 S C 2.053 176.752 174.600 0.166 0.000 1.044 174 S CA 1.966 60.286 58.200 0.200 0.000 1.062 174 S CB -0.164 63.115 63.200 0.131 0.000 0.931 174 S HN 0.563 nan 8.310 nan 0.000 0.440 175 A N -0.585 122.311 122.820 0.126 0.000 2.206 175 A HA 0.244 4.579 4.320 0.024 0.000 0.211 175 A C 1.389 178.849 177.584 -0.206 0.000 1.158 175 A CA 0.543 52.539 52.037 -0.068 0.000 0.761 175 A CB -0.482 18.405 19.000 -0.189 0.000 0.801 175 A HN 0.492 nan 8.150 nan 0.000 0.473 176 F N -0.687 119.304 119.950 0.069 0.000 2.717 176 F HA 0.350 4.892 4.527 0.024 0.000 0.295 176 F C 0.674 176.510 175.800 0.060 0.000 1.117 176 F CA -0.088 57.952 58.000 0.066 0.000 1.361 176 F CB 0.077 39.121 39.000 0.074 0.000 1.112 176 F HN -0.033 nan 8.300 nan 0.000 0.594 177 L N 1.283 122.652 121.223 0.243 0.000 2.379 177 L HA 0.490 4.845 4.340 0.024 0.000 0.269 177 L C 0.158 177.074 176.870 0.075 0.000 1.084 177 L CA -0.743 54.186 54.840 0.148 0.000 0.802 177 L CB 1.164 43.327 42.059 0.173 0.000 1.175 177 L HN 0.032 nan 8.230 nan 0.000 0.448 178 R N 1.421 121.930 120.500 0.014 0.000 2.807 178 R HA 0.811 5.166 4.340 0.024 0.000 0.276 178 R C -0.989 175.289 176.300 -0.036 0.000 0.979 178 R CA -0.880 55.215 56.100 -0.008 0.000 0.928 178 R CB 1.589 31.873 30.300 -0.027 0.000 1.191 178 R HN 0.561 nan 8.270 nan 0.000 0.471 179 A N 1.512 124.321 122.820 -0.019 0.000 2.488 179 A HA 0.538 4.873 4.320 0.024 0.000 0.249 179 A C 0.943 178.486 177.584 -0.068 0.000 1.083 179 A CA 0.935 52.953 52.037 -0.032 0.000 0.768 179 A CB -0.510 18.486 19.000 -0.008 0.000 1.017 179 A HN 1.317 nan 8.150 nan 0.000 0.496 180 G N 1.316 110.056 108.800 -0.100 0.000 2.443 180 G HA2 0.021 3.996 3.960 0.024 0.000 0.209 180 G HA3 0.021 3.996 3.960 0.024 0.000 0.209 180 G C -0.523 174.254 174.900 -0.205 0.000 1.176 180 G CA -0.133 44.894 45.100 -0.123 0.000 1.074 180 G HN 0.894 nan 8.290 nan 0.000 0.577 181 E N 1.835 121.918 120.200 -0.195 0.000 2.316 181 E HA 0.530 4.895 4.350 0.024 0.000 0.275 181 E C 0.221 176.607 176.600 -0.357 0.000 1.029 181 E CA -0.098 56.144 56.400 -0.264 0.000 0.871 181 E CB 0.448 30.045 29.700 -0.171 0.000 1.022 181 E HN 0.480 nan 8.360 nan 0.000 0.418 182 N N 2.658 120.985 118.700 -0.621 0.000 2.284 182 N HA 0.355 5.109 4.740 0.024 0.000 0.289 182 N C -0.898 174.332 175.510 -0.466 0.000 1.179 182 N CA -0.685 51.988 53.050 -0.628 0.000 0.774 182 N CB 2.323 40.244 38.487 -0.945 0.000 1.548 182 N HN 0.197 nan 8.380 nan 0.000 0.473 183 R N 1.765 122.174 120.500 -0.152 0.000 2.393 183 R HA 0.490 4.844 4.340 0.024 0.000 0.315 183 R C -1.020 175.343 176.300 0.105 0.000 0.952 183 R CA -0.461 55.637 56.100 -0.003 0.000 0.842 183 R CB 0.830 31.089 30.300 -0.067 0.000 1.163 183 R HN 0.477 nan 8.270 nan 0.000 0.450 184 L N 3.355 124.681 121.223 0.172 0.000 2.307 184 L HA 0.650 5.005 4.340 0.024 0.000 0.282 184 L C -0.233 176.664 176.870 0.045 0.000 1.051 184 L CA -0.829 54.095 54.840 0.139 0.000 0.804 184 L CB 1.884 44.009 42.059 0.110 0.000 1.197 184 L HN 0.726 nan 8.230 nan 0.000 0.431 185 A N 3.807 126.661 122.820 0.057 0.000 2.319 185 A HA 0.736 5.070 4.320 0.024 0.000 0.310 185 A C -0.883 176.931 177.584 0.382 0.000 1.152 185 A CA -0.459 51.513 52.037 -0.108 0.000 0.783 185 A CB 1.364 19.821 19.000 -0.906 0.000 1.184 185 A HN 0.395 nan 8.150 nan 0.000 0.474 186 V N 3.514 123.813 119.914 0.643 0.000 2.407 186 V HA 0.464 4.599 4.120 0.024 0.000 0.291 186 V C -0.085 176.562 176.094 0.922 0.000 1.018 186 V CA -0.310 62.416 62.300 0.711 0.000 0.842 186 V CB 1.403 33.480 31.823 0.422 0.000 0.996 186 V HN 0.970 nan 8.190 nan 0.000 0.426 187 M N 6.197 126.344 119.600 0.913 0.000 2.061 187 M HA 0.596 5.091 4.480 0.024 0.000 0.346 187 M C -1.492 175.076 176.300 0.448 0.000 1.112 187 M CA -0.362 55.312 55.300 0.624 0.000 1.021 187 M CB 1.173 34.147 32.600 0.622 0.000 1.530 187 M HN 0.470 nan 8.290 nan 0.000 0.437 188 V N 6.868 127.011 119.914 0.382 0.000 2.370 188 V HA 0.386 4.521 4.120 0.024 0.000 0.283 188 V C -0.174 176.089 176.094 0.282 0.000 1.023 188 V CA -0.679 61.846 62.300 0.374 0.000 0.857 188 V CB 1.328 33.473 31.823 0.537 0.000 0.985 188 V HN 0.811 nan 8.190 nan 0.000 0.443 189 L N 4.967 126.274 121.223 0.139 0.000 2.265 189 L HA 0.497 4.851 4.340 0.024 0.000 0.288 189 L C 1.593 178.471 176.870 0.014 0.000 1.058 189 L CA -0.365 54.476 54.840 0.001 0.000 0.809 189 L CB 1.041 42.982 42.059 -0.196 0.000 1.179 189 L HN 0.651 nan 8.230 nan 0.000 0.429 190 R N 3.244 123.717 120.500 -0.043 0.000 2.083 190 R HA -0.092 4.263 4.340 0.024 0.000 0.237 190 R C -0.279 175.672 176.300 -0.581 0.000 1.137 190 R CA 1.496 57.333 56.100 -0.438 0.000 0.951 190 R CB 0.158 30.041 30.300 -0.695 0.000 0.851 190 R HN 0.567 nan 8.270 nan 0.000 0.434 191 W N -0.140 121.216 121.300 0.094 0.000 2.639 191 W HA 0.467 5.141 4.660 0.024 0.000 0.347 191 W C -0.325 176.286 176.519 0.153 0.000 1.067 191 W CA -0.718 56.683 57.345 0.094 0.000 1.218 191 W CB 1.719 31.233 29.460 0.091 0.000 1.393 191 W HN 0.068 nan 8.180 nan 0.000 0.557 192 S N -1.212 114.759 115.700 0.450 0.000 2.636 192 S HA 0.152 4.637 4.470 0.024 0.000 0.268 192 S C 0.040 174.873 174.600 0.389 0.000 1.159 192 S CA -0.367 58.106 58.200 0.455 0.000 0.815 192 S CB 0.956 64.403 63.200 0.411 0.000 1.130 192 S HN 0.652 nan 8.310 nan 0.000 0.471 193 D N 0.670 121.311 120.400 0.401 0.000 2.221 193 D HA 0.037 4.692 4.640 0.024 0.000 0.204 193 D C 1.835 178.440 176.300 0.508 0.000 0.982 193 D CA 1.413 55.701 54.000 0.481 0.000 0.857 193 D CB -0.763 40.176 40.800 0.231 0.000 0.934 193 D HN 0.742 nan 8.370 nan 0.000 0.475 194 G N 0.100 109.113 108.800 0.355 0.000 2.450 194 G HA2 -0.283 3.692 3.960 0.024 0.000 0.220 194 G HA3 -0.283 3.692 3.960 0.024 0.000 0.220 194 G C 1.723 176.802 174.900 0.298 0.000 1.130 194 G CA 0.828 46.113 45.100 0.308 0.000 0.760 194 G HN 0.335 nan 8.290 nan 0.000 0.557 195 S N -0.102 115.755 115.700 0.261 0.000 2.419 195 S HA -0.107 4.377 4.470 0.024 0.000 0.233 195 S C 1.892 176.609 174.600 0.196 0.000 1.016 195 S CA 0.777 59.108 58.200 0.219 0.000 0.974 195 S CB -0.407 62.924 63.200 0.218 0.000 0.786 195 S HN 0.574 nan 8.310 nan 0.000 0.492 196 Y N 1.174 121.601 120.300 0.212 0.000 2.421 196 Y HA 0.077 4.641 4.550 0.024 0.000 0.292 196 Y C 1.634 177.634 175.900 0.166 0.000 1.136 196 Y CA 0.593 58.734 58.100 0.069 0.000 1.255 196 Y CB -0.195 38.175 38.460 -0.151 0.000 0.991 196 Y HN 0.199 nan 8.280 nan 0.000 0.552 197 L N -0.368 121.054 121.223 0.332 0.000 2.628 197 L HA 0.111 4.466 4.340 0.024 0.000 0.229 197 L C 0.076 177.087 176.870 0.236 0.000 1.137 197 L CA 0.411 55.400 54.840 0.248 0.000 0.909 197 L CB 0.047 42.257 42.059 0.251 0.000 1.137 197 L HN 0.134 nan 8.230 nan 0.000 0.470 198 E N -0.052 120.302 120.200 0.256 0.000 3.388 198 E HA 0.036 4.401 4.350 0.024 0.000 0.214 198 E C -0.420 176.292 176.600 0.186 0.000 1.040 198 E CA -0.092 56.441 56.400 0.222 0.000 1.327 198 E CB 0.409 30.229 29.700 0.198 0.000 1.243 198 E HN 0.049 nan 8.360 nan 0.000 0.444 199 D N 1.204 121.675 120.400 0.118 0.000 2.676 199 D HA 0.009 4.664 4.640 0.024 0.000 0.239 199 D C -0.259 176.014 176.300 -0.045 0.000 1.213 199 D CA -0.026 53.927 54.000 -0.080 0.000 0.835 199 D CB 0.101 40.614 40.800 -0.480 0.000 1.009 199 D HN 0.078 nan 8.370 nan 0.000 0.479 200 Q N 0.482 120.353 119.800 0.118 0.000 2.364 200 Q HA 0.099 4.454 4.340 0.024 0.000 0.267 200 Q C -0.047 176.048 176.000 0.157 0.000 0.999 200 Q CA 0.031 55.973 55.803 0.232 0.000 0.886 200 Q CB 0.652 29.710 28.738 0.533 0.000 1.243 200 Q HN 0.065 nan 8.270 nan 0.000 0.415 201 D N 3.526 124.035 120.400 0.183 0.000 2.489 201 D HA 0.118 4.772 4.640 0.024 0.000 0.237 201 D C -0.761 175.654 176.300 0.193 0.000 1.212 201 D CA 0.182 54.267 54.000 0.141 0.000 1.058 201 D CB -0.428 40.447 40.800 0.126 0.000 1.098 201 D HN 0.501 nan 8.370 nan 0.000 0.509 202 M N -0.068 119.598 119.600 0.110 0.000 3.084 202 M HA 0.432 4.927 4.480 0.024 0.000 0.273 202 M C -1.244 175.090 176.300 0.055 0.000 1.242 202 M CA -1.208 54.093 55.300 0.002 0.000 0.819 202 M CB 1.037 33.548 32.600 -0.149 0.000 1.625 202 M HN -0.120 nan 8.290 nan 0.000 0.493 203 W N 2.123 123.499 121.300 0.127 0.000 2.210 203 W HA 0.325 5.000 4.660 0.025 0.000 0.330 203 W C 0.197 176.723 176.519 0.012 0.000 1.334 203 W CA -0.002 57.404 57.345 0.101 0.000 1.227 203 W CB 0.371 29.830 29.460 -0.002 0.000 1.178 203 W HN 0.262 nan 8.180 nan 0.000 0.560 204 R N 5.064 125.720 120.500 0.260 0.000 2.196 204 R HA 0.423 4.778 4.340 0.024 0.000 0.340 204 R C -0.081 176.242 176.300 0.039 0.000 1.043 204 R CA -0.194 55.990 56.100 0.140 0.000 0.883 204 R CB 0.250 30.694 30.300 0.240 0.000 1.078 204 R HN 0.561 nan 8.270 nan 0.000 0.462 205 M N 0.263 119.773 119.600 -0.150 0.000 2.777 205 M HA 0.513 5.008 4.480 0.024 0.000 0.288 205 M C -0.036 175.927 176.300 -0.562 0.000 1.181 205 M CA -0.851 54.242 55.300 -0.344 0.000 0.758 205 M CB 2.326 34.716 32.600 -0.350 0.000 1.757 205 M HN 0.632 nan 8.290 nan 0.000 0.453 206 S N -1.223 114.000 115.700 -0.795 0.000 2.615 206 S HA 0.960 5.444 4.470 0.024 0.000 0.269 206 S C -0.541 173.495 174.600 -0.940 0.000 1.161 206 S CA -0.167 57.447 58.200 -0.977 0.000 0.817 206 S CB 1.847 64.290 63.200 -1.261 0.000 1.131 206 S HN 1.462 nan 8.310 nan 0.000 0.467 207 G N 0.010 108.479 108.800 -0.553 0.000 2.331 207 G HA2 0.135 4.110 3.960 0.024 0.000 0.479 207 G HA3 0.135 4.110 3.960 0.024 0.000 0.479 207 G C -1.394 173.507 174.900 0.002 0.000 1.262 207 G CA -0.577 44.513 45.100 -0.017 0.000 1.029 207 G HN 1.153 nan 8.290 nan 0.000 0.487 208 I N 2.097 122.541 120.570 -0.210 0.000 2.268 208 I HA 0.301 4.486 4.170 0.024 0.000 0.290 208 I C 1.097 177.067 176.117 -0.245 0.000 1.125 208 I CA -0.239 60.825 61.300 -0.394 0.000 1.236 208 I CB -0.142 37.349 38.000 -0.848 0.000 1.469 208 I HN 0.510 nan 8.210 nan 0.000 0.512 209 F N 3.905 123.692 119.950 -0.272 0.000 2.695 209 F HA 0.476 5.017 4.527 0.024 0.000 0.303 209 F C 0.688 176.392 175.800 -0.161 0.000 1.091 209 F CA -0.517 57.356 58.000 -0.213 0.000 1.300 209 F CB 0.136 39.015 39.000 -0.201 0.000 1.071 209 F HN 0.111 nan 8.300 nan 0.000 0.578 210 R N 0.451 120.536 120.500 -0.693 0.000 2.905 210 R HA 0.227 4.582 4.340 0.024 0.000 0.260 210 R C -0.762 175.300 176.300 -0.396 0.000 1.086 210 R CA -1.147 54.628 56.100 -0.541 0.000 0.978 210 R CB 0.789 30.666 30.300 -0.704 0.000 1.215 210 R HN -0.026 nan 8.270 nan 0.000 0.480 211 D N 0.897 121.110 120.400 -0.312 0.000 2.478 211 D HA 0.075 4.730 4.640 0.024 0.000 0.234 211 D C -0.429 175.700 176.300 -0.286 0.000 1.154 211 D CA 0.581 54.433 54.000 -0.247 0.000 0.874 211 D CB 0.709 41.408 40.800 -0.169 0.000 1.198 211 D HN -0.015 nan 8.370 nan 0.000 0.455 212 V N 1.022 120.776 119.914 -0.268 0.000 2.588 212 V HA 0.570 4.705 4.120 0.024 0.000 0.304 212 V C 0.066 176.014 176.094 -0.244 0.000 1.042 212 V CA -0.517 61.563 62.300 -0.366 0.000 0.877 212 V CB 1.725 33.320 31.823 -0.380 0.000 0.996 212 V HN 0.816 nan 8.190 nan 0.000 0.425 213 S N 4.480 120.013 115.700 -0.277 0.000 2.615 213 S HA 0.799 5.284 4.470 0.024 0.000 0.269 213 S C -1.529 173.004 174.600 -0.110 0.000 1.161 213 S CA -0.949 57.162 58.200 -0.149 0.000 0.817 213 S CB 1.645 64.801 63.200 -0.074 0.000 1.131 213 S HN 0.464 nan 8.310 nan 0.000 0.467 214 L N 1.257 122.481 121.223 0.001 0.000 2.346 214 L HA 0.737 5.092 4.340 0.024 0.000 0.276 214 L C -1.379 175.668 176.870 0.294 0.000 1.006 214 L CA -0.892 54.034 54.840 0.144 0.000 0.817 214 L CB 1.708 43.880 42.059 0.188 0.000 1.272 214 L HN 0.718 nan 8.230 nan 0.000 0.421 215 L N 3.016 124.400 121.223 0.269 0.000 2.381 215 L HA 0.467 4.821 4.340 0.024 0.000 0.274 215 L C -0.744 176.165 176.870 0.064 0.000 0.988 215 L CA -0.148 54.794 54.840 0.171 0.000 0.824 215 L CB 1.487 43.596 42.059 0.084 0.000 1.263 215 L HN 0.486 nan 8.230 nan 0.000 0.410 216 H N 5.386 124.255 119.070 -0.335 0.000 2.488 216 H HA 0.494 5.064 4.556 0.025 0.000 0.322 216 H C -1.250 173.862 175.328 -0.360 0.000 1.078 216 H CA -0.453 55.258 56.048 -0.562 0.000 1.260 216 H CB 1.060 29.937 29.762 -1.474 0.000 1.425 216 H HN 0.547 nan 8.280 nan 0.000 0.471 217 K N 5.446 125.479 120.400 -0.612 0.000 2.385 217 K HA 0.386 4.721 4.320 0.024 0.000 0.248 217 K C -2.746 173.585 176.600 -0.448 0.000 0.955 217 K CA -2.047 54.008 56.287 -0.387 0.000 0.816 217 K CB 2.130 34.469 32.500 -0.267 0.000 1.250 217 K HN 0.473 nan 8.250 nan 0.000 0.434 218 P HA 0.173 nan 4.420 nan 0.000 0.276 218 P C 0.488 177.705 177.300 -0.138 0.000 1.244 218 P CA -0.206 62.809 63.100 -0.141 0.000 0.801 218 P CB 0.490 32.151 31.700 -0.066 0.000 1.006 219 T N -0.817 113.683 114.554 -0.091 0.000 2.746 219 T HA -0.056 4.309 4.350 0.024 0.000 0.267 219 T C 0.656 175.311 174.700 -0.074 0.000 1.039 219 T CA 1.628 63.683 62.100 -0.074 0.000 1.142 219 T CB -0.579 68.265 68.868 -0.041 0.000 0.866 219 T HN 0.418 nan 8.240 nan 0.000 0.444 220 T N 3.703 118.220 114.554 -0.063 0.000 2.727 220 T HA 0.432 4.797 4.350 0.024 0.000 0.298 220 T C -0.219 174.433 174.700 -0.080 0.000 0.942 220 T CA -0.556 61.498 62.100 -0.076 0.000 0.997 220 T CB 0.468 69.305 68.868 -0.052 0.000 0.917 220 T HN 0.479 nan 8.240 nan 0.000 0.487 221 Q N 2.507 122.244 119.800 -0.104 0.000 2.565 221 Q HA 0.623 4.978 4.340 0.024 0.000 0.294 221 Q C -1.173 174.762 176.000 -0.109 0.000 1.005 221 Q CA -1.207 54.527 55.803 -0.115 0.000 0.771 221 Q CB 1.259 29.907 28.738 -0.152 0.000 1.486 221 Q HN 0.424 nan 8.270 nan 0.000 0.422 222 I N 2.338 122.821 120.570 -0.145 0.000 2.452 222 I HA 0.032 4.217 4.170 0.024 0.000 0.287 222 I C 0.695 176.737 176.117 -0.124 0.000 1.079 222 I CA 0.086 61.326 61.300 -0.100 0.000 1.387 222 I CB 1.127 39.043 38.000 -0.141 0.000 1.404 222 I HN 0.867 nan 8.210 nan 0.000 0.522 223 S N 2.435 118.166 115.700 0.051 0.000 2.512 223 S HA 0.232 4.717 4.470 0.024 0.000 0.216 223 S C 0.134 174.951 174.600 0.362 0.000 1.006 223 S CA -0.305 57.996 58.200 0.169 0.000 0.915 223 S CB 0.240 63.488 63.200 0.081 0.000 0.824 223 S HN 0.711 nan 8.310 nan 0.000 0.497 224 D N -0.105 120.496 120.400 0.336 0.000 2.683 224 D HA 0.517 5.172 4.640 0.024 0.000 0.246 224 D C -1.930 174.529 176.300 0.266 0.000 1.238 224 D CA -0.714 53.462 54.000 0.295 0.000 0.759 224 D CB 1.619 42.496 40.800 0.128 0.000 1.349 224 D HN 0.193 nan 8.370 nan 0.000 0.426 225 F N -0.510 119.517 119.950 0.128 0.000 2.635 225 F HA 0.573 5.114 4.527 0.025 0.000 0.314 225 F C -1.573 174.324 175.800 0.162 0.000 1.119 225 F CA -0.766 57.252 58.000 0.030 0.000 1.000 225 F CB 1.092 40.139 39.000 0.078 0.000 1.278 225 F HN 0.241 nan 8.300 nan 0.000 0.446 226 H N 2.205 121.351 119.070 0.128 0.000 2.489 226 H HA 0.759 5.329 4.556 0.025 0.000 0.343 226 H C -1.194 174.185 175.328 0.085 0.000 1.086 226 H CA -1.524 54.536 56.048 0.020 0.000 1.198 226 H CB 2.632 32.385 29.762 -0.015 0.000 1.490 226 H HN 0.601 nan 8.280 nan 0.000 0.504 227 V N 2.249 122.269 119.914 0.175 0.000 2.459 227 V HA 0.648 4.783 4.120 0.024 0.000 0.295 227 V C -0.191 175.898 176.094 -0.007 0.000 1.029 227 V CA -0.600 61.751 62.300 0.085 0.000 0.874 227 V CB 1.316 33.184 31.823 0.075 0.000 0.985 227 V HN 0.924 nan 8.190 nan 0.000 0.438 228 A N 3.133 125.925 122.820 -0.046 0.000 2.401 228 A HA 0.936 5.271 4.320 0.024 0.000 0.310 228 A C -0.149 177.333 177.584 -0.169 0.000 1.075 228 A CA -0.488 51.502 52.037 -0.079 0.000 0.746 228 A CB 1.990 20.965 19.000 -0.042 0.000 1.277 228 A HN 0.969 nan 8.150 nan 0.000 0.425 229 T N 0.011 114.443 114.554 -0.204 0.000 2.985 229 T HA 0.653 5.018 4.350 0.024 0.000 0.315 229 T C -0.558 173.920 174.700 -0.369 0.000 1.001 229 T CA -0.662 61.214 62.100 -0.373 0.000 1.016 229 T CB 0.479 69.008 68.868 -0.565 0.000 0.993 229 T HN 0.688 nan 8.240 nan 0.000 0.454 230 R N 2.250 122.494 120.500 -0.426 0.000 2.604 230 R HA 0.807 5.162 4.340 0.024 0.000 0.287 230 R C -1.010 174.949 176.300 -0.570 0.000 0.970 230 R CA -0.690 55.239 56.100 -0.285 0.000 0.946 230 R CB 1.238 31.471 30.300 -0.112 0.000 1.127 230 R HN 0.516 nan 8.270 nan 0.000 0.473 231 F N 0.374 120.299 119.950 -0.041 0.000 2.611 231 F HA 0.362 4.902 4.527 0.022 0.000 0.324 231 F C 0.485 176.147 175.800 -0.231 0.000 1.061 231 F CA -1.178 56.738 58.000 -0.140 0.000 0.954 231 F CB 1.091 39.908 39.000 -0.305 0.000 1.301 231 F HN 0.548 nan 8.300 nan 0.000 0.482 232 N N 0.133 118.812 118.700 -0.035 0.000 2.364 232 N HA 0.042 4.796 4.740 0.024 0.000 0.264 232 N C 0.546 175.907 175.510 -0.249 0.000 1.263 232 N CA -0.122 52.869 53.050 -0.098 0.000 0.959 232 N CB 0.164 38.622 38.487 -0.049 0.000 1.204 232 N HN 0.704 nan 8.380 nan 0.000 0.550 233 D N -0.988 119.318 120.400 -0.156 0.000 2.149 233 D HA -0.246 4.408 4.640 0.024 0.000 0.198 233 D C 0.183 176.406 176.300 -0.129 0.000 0.990 233 D CA 1.625 55.542 54.000 -0.139 0.000 0.839 233 D CB -0.534 40.241 40.800 -0.041 0.000 0.948 233 D HN 0.737 nan 8.370 nan 0.000 0.460 234 D N -1.620 118.745 120.400 -0.057 0.000 2.501 234 D HA 0.045 4.699 4.640 0.024 0.000 0.226 234 D C 0.089 176.536 176.300 0.245 0.000 1.198 234 D CA -0.991 53.084 54.000 0.124 0.000 0.830 234 D CB -1.147 39.728 40.800 0.125 0.000 1.014 234 D HN 0.180 nan 8.370 nan 0.000 0.496 235 F N 0.349 120.354 119.950 0.091 0.000 3.006 235 F HA -0.304 4.237 4.527 0.023 0.000 0.289 235 F C 1.705 177.586 175.800 0.135 0.000 0.772 235 F CA 0.873 58.943 58.000 0.115 0.000 1.162 235 F CB -2.479 36.484 39.000 -0.060 0.000 1.382 235 F HN 0.223 nan 8.300 nan 0.000 0.406 236 S N -1.154 114.648 115.700 0.170 0.000 2.528 236 S HA 0.195 4.680 4.470 0.024 0.000 0.219 236 S C 0.725 175.374 174.600 0.081 0.000 0.985 236 S CA -0.015 58.256 58.200 0.119 0.000 0.914 236 S CB 0.414 63.661 63.200 0.079 0.000 0.776 236 S HN 0.330 nan 8.310 nan 0.000 0.526 237 R N 0.593 121.142 120.500 0.083 0.000 2.725 237 R HA 0.839 5.194 4.340 0.024 0.000 0.277 237 R C -1.201 175.121 176.300 0.037 0.000 0.987 237 R CA -0.354 55.763 56.100 0.029 0.000 0.901 237 R CB 1.805 32.103 30.300 -0.003 0.000 1.207 237 R HN 0.217 nan 8.270 nan 0.000 0.463 238 A N 1.138 123.925 122.820 -0.055 0.000 2.515 238 A HA 0.720 5.054 4.320 0.024 0.000 0.296 238 A C -1.171 176.330 177.584 -0.137 0.000 1.094 238 A CA -0.700 51.227 52.037 -0.182 0.000 0.718 238 A CB 2.133 21.000 19.000 -0.222 0.000 1.307 238 A HN 0.307 nan 8.150 nan 0.000 0.408 239 V N 1.556 121.365 119.914 -0.174 0.000 2.409 239 V HA 0.408 4.543 4.120 0.024 0.000 0.291 239 V C -0.412 175.615 176.094 -0.110 0.000 1.020 239 V CA -0.307 61.926 62.300 -0.111 0.000 0.848 239 V CB 1.243 33.005 31.823 -0.101 0.000 0.990 239 V HN 0.773 nan 8.190 nan 0.000 0.430 240 L N 4.689 125.887 121.223 -0.043 0.000 2.260 240 L HA 0.535 4.889 4.340 0.024 0.000 0.289 240 L C 0.129 176.959 176.870 -0.068 0.000 1.057 240 L CA 0.179 54.974 54.840 -0.075 0.000 0.811 240 L CB 0.802 42.849 42.059 -0.019 0.000 1.184 240 L HN 0.719 nan 8.230 nan 0.000 0.429 241 E N 4.235 124.391 120.200 -0.074 0.000 2.145 241 E HA 0.635 5.000 4.350 0.024 0.000 0.270 241 E C -1.301 175.290 176.600 -0.015 0.000 0.906 241 E CA -0.744 55.631 56.400 -0.042 0.000 0.761 241 E CB 1.630 31.305 29.700 -0.041 0.000 1.116 241 E HN 0.705 nan 8.360 nan 0.000 0.408 242 A N 4.569 127.388 122.820 -0.003 0.000 2.332 242 A HA 0.270 4.605 4.320 0.024 0.000 0.300 242 A C -0.648 176.947 177.584 0.019 0.000 1.153 242 A CA -0.669 51.388 52.037 0.034 0.000 0.764 242 A CB 0.997 20.015 19.000 0.031 0.000 1.174 242 A HN 0.713 nan 8.150 nan 0.000 0.467 243 E N 2.718 122.935 120.200 0.029 0.000 2.200 243 E HA 0.525 4.890 4.350 0.024 0.000 0.283 243 E C -1.331 175.241 176.600 -0.046 0.000 1.015 243 E CA -0.335 56.040 56.400 -0.041 0.000 0.819 243 E CB 1.061 30.705 29.700 -0.093 0.000 1.081 243 E HN 0.359 nan 8.360 nan 0.000 0.397 244 V N 4.976 124.881 119.914 -0.016 0.000 2.540 244 V HA 0.292 4.427 4.120 0.024 0.000 0.302 244 V C -0.488 175.683 176.094 0.128 0.000 1.035 244 V CA -0.784 61.555 62.300 0.066 0.000 0.873 244 V CB 1.661 33.516 31.823 0.053 0.000 0.992 244 V HN 0.747 nan 8.190 nan 0.000 0.428 245 Q N 4.410 124.283 119.800 0.122 0.000 2.377 245 Q HA 0.849 5.204 4.340 0.024 0.000 0.271 245 Q C -0.850 175.207 176.000 0.094 0.000 1.077 245 Q CA -0.904 54.957 55.803 0.097 0.000 0.820 245 Q CB 2.790 31.514 28.738 -0.023 0.000 1.347 245 Q HN 0.816 nan 8.270 nan 0.000 0.444 246 M N -0.914 118.652 119.600 -0.056 0.000 2.727 246 M HA 0.808 5.303 4.480 0.024 0.000 0.300 246 M C -1.281 174.914 176.300 -0.176 0.000 1.246 246 M CA -0.471 54.722 55.300 -0.178 0.000 0.835 246 M CB 1.735 34.005 32.600 -0.549 0.000 1.755 246 M HN 0.553 nan 8.290 nan 0.000 0.473 247 C N 0.449 119.658 119.300 -0.152 0.000 2.802 247 C HA 1.027 5.502 4.460 0.024 0.000 0.307 247 C C 0.485 175.394 174.990 -0.136 0.000 1.222 247 C CA 0.551 59.499 59.018 -0.117 0.000 1.580 247 C CB 1.151 28.855 27.740 -0.061 0.000 2.119 247 C HN 1.417 nan 8.230 nan 0.000 0.479 248 G N 1.683 110.415 108.800 -0.114 0.000 2.422 248 G HA2 0.039 4.013 3.960 0.024 0.000 0.607 248 G HA3 0.039 4.013 3.960 0.024 0.000 0.607 248 G C -1.121 173.706 174.900 -0.121 0.000 1.270 248 G CA -0.488 44.549 45.100 -0.104 0.000 0.992 248 G HN 0.921 nan 8.290 nan 0.000 0.499 249 E N -0.361 119.775 120.200 -0.105 0.000 2.283 249 E HA 0.482 4.846 4.350 0.024 0.000 0.278 249 E C 0.216 176.716 176.600 -0.166 0.000 1.027 249 E CA -0.555 55.777 56.400 -0.112 0.000 0.843 249 E CB 0.644 30.299 29.700 -0.075 0.000 1.062 249 E HN 0.453 nan 8.360 nan 0.000 0.401 250 L N 4.600 125.716 121.223 -0.178 0.000 2.397 250 L HA 0.321 4.675 4.340 0.024 0.000 0.271 250 L C 0.315 177.052 176.870 -0.222 0.000 1.148 250 L CA -0.130 54.579 54.840 -0.218 0.000 0.825 250 L CB 0.531 42.486 42.059 -0.174 0.000 1.117 250 L HN 0.454 nan 8.230 nan 0.000 0.456 251 R N 1.539 121.855 120.500 -0.307 0.000 2.698 251 R HA 0.188 4.542 4.340 0.024 0.000 0.275 251 R C -0.257 175.816 176.300 -0.379 0.000 1.001 251 R CA -0.810 55.021 56.100 -0.447 0.000 0.896 251 R CB 1.458 31.144 30.300 -1.024 0.000 1.218 251 R HN 0.516 nan 8.270 nan 0.000 0.462 252 D N 0.939 121.192 120.400 -0.244 0.000 2.182 252 D HA -0.163 4.491 4.640 0.024 0.000 0.201 252 D C 1.538 177.807 176.300 -0.053 0.000 0.986 252 D CA 1.693 55.638 54.000 -0.091 0.000 0.847 252 D CB 0.051 40.847 40.800 -0.006 0.000 0.942 252 D HN 0.589 nan 8.370 nan 0.000 0.467 253 Y N -0.072 120.242 120.300 0.023 0.000 2.578 253 Y HA 0.251 4.816 4.550 0.025 0.000 0.297 253 Y C 0.711 176.616 175.900 0.007 0.000 1.176 253 Y CA -0.437 57.672 58.100 0.015 0.000 1.315 253 Y CB -0.914 37.556 38.460 0.016 0.000 1.031 253 Y HN -0.182 nan 8.280 nan 0.000 0.524 254 L N 2.509 123.677 121.223 -0.092 0.000 2.452 254 L HA 0.295 4.650 4.340 0.024 0.000 0.267 254 L C 0.271 177.129 176.870 -0.021 0.000 1.188 254 L CA -0.046 54.811 54.840 0.029 0.000 0.821 254 L CB 0.462 42.574 42.059 0.088 0.000 1.102 254 L HN 0.177 nan 8.230 nan 0.000 0.470 255 R N 1.530 121.916 120.500 -0.189 0.000 2.739 255 R HA 0.652 5.007 4.340 0.024 0.000 0.271 255 R C -1.610 174.351 176.300 -0.565 0.000 1.010 255 R CA -0.770 55.063 56.100 -0.444 0.000 0.897 255 R CB 2.238 32.121 30.300 -0.696 0.000 1.236 255 R HN 0.268 nan 8.270 nan 0.000 0.466 256 V N 1.096 120.714 119.914 -0.494 0.000 2.588 256 V HA 0.476 4.611 4.120 0.024 0.000 0.304 256 V C -0.417 175.625 176.094 -0.087 0.000 1.042 256 V CA -0.518 61.592 62.300 -0.317 0.000 0.877 256 V CB 2.302 33.850 31.823 -0.458 0.000 0.996 256 V HN 0.716 nan 8.190 nan 0.000 0.425 257 T N 4.310 118.927 114.554 0.104 0.000 2.792 257 T HA 0.628 4.993 4.350 0.024 0.000 0.280 257 T C -0.617 174.101 174.700 0.030 0.000 0.990 257 T CA -0.361 61.805 62.100 0.110 0.000 0.960 257 T CB 1.603 70.568 68.868 0.160 0.000 0.939 257 T HN 0.342 nan 8.240 nan 0.000 0.439 258 V N 3.744 123.656 119.914 -0.003 0.000 2.448 258 V HA 0.725 4.859 4.120 0.024 0.000 0.295 258 V C -0.035 176.059 176.094 0.000 0.000 1.025 258 V CA -0.810 61.483 62.300 -0.012 0.000 0.859 258 V CB 1.787 33.590 31.823 -0.033 0.000 0.988 258 V HN 1.038 nan 8.190 nan 0.000 0.431 259 S N 4.990 120.717 115.700 0.045 0.000 2.542 259 S HA 0.868 5.353 4.470 0.024 0.000 0.293 259 S C -1.177 173.450 174.600 0.046 0.000 1.089 259 S CA -0.776 57.436 58.200 0.020 0.000 0.961 259 S CB 2.161 65.406 63.200 0.074 0.000 1.062 259 S HN 0.572 nan 8.310 nan 0.000 0.483 260 L N 2.267 123.402 121.223 -0.146 0.000 2.333 260 L HA 0.791 5.146 4.340 0.024 0.000 0.280 260 L C -2.036 174.695 176.870 -0.232 0.000 1.004 260 L CA -0.382 54.445 54.840 -0.022 0.000 0.820 260 L CB 0.912 42.980 42.059 0.015 0.000 1.247 260 L HN 0.887 nan 8.230 nan 0.000 0.416 261 W N 3.820 125.229 121.300 0.181 0.000 2.702 261 W HA 0.614 5.289 4.660 0.024 0.000 0.331 261 W C -0.555 176.054 176.519 0.150 0.000 1.049 261 W CA -0.570 56.855 57.345 0.134 0.000 1.230 261 W CB 1.432 30.917 29.460 0.042 0.000 1.408 261 W HN 0.359 nan 8.180 nan 0.000 0.492 262 Q N 2.499 122.434 119.800 0.225 0.000 2.508 262 Q HA 0.508 4.863 4.340 0.024 0.000 0.247 262 Q C 0.632 176.656 176.000 0.039 0.000 1.047 262 Q CA 0.298 56.062 55.803 -0.065 0.000 0.783 262 Q CB 0.609 29.225 28.738 -0.203 0.000 1.172 262 Q HN 0.753 nan 8.270 nan 0.000 0.515 263 G N 3.185 112.010 108.800 0.041 0.000 2.611 263 G HA2 -0.369 3.605 3.960 0.024 0.000 0.301 263 G HA3 -0.369 3.605 3.960 0.024 0.000 0.301 263 G C 0.699 175.686 174.900 0.145 0.000 1.233 263 G CA 0.375 45.504 45.100 0.049 0.000 0.993 263 G HN 0.600 nan 8.290 nan 0.000 0.553 264 E N 0.748 121.018 120.200 0.117 0.000 2.358 264 E HA 0.048 4.413 4.350 0.024 0.000 0.195 264 E C 0.772 177.583 176.600 0.351 0.000 1.010 264 E CA 0.906 57.403 56.400 0.162 0.000 0.856 264 E CB -0.087 29.651 29.700 0.064 0.000 0.795 264 E HN 0.407 nan 8.360 nan 0.000 0.504 265 T N 1.492 116.209 114.554 0.271 0.000 2.780 265 T HA 0.059 4.424 4.350 0.024 0.000 0.294 265 T C 0.029 174.784 174.700 0.092 0.000 0.949 265 T CA -0.176 62.036 62.100 0.187 0.000 1.074 265 T CB 1.298 70.205 68.868 0.065 0.000 0.910 265 T HN 0.043 nan 8.240 nan 0.000 0.501 266 Q N 3.762 123.391 119.800 -0.284 0.000 2.325 266 Q HA 0.136 4.491 4.340 0.024 0.000 0.256 266 Q C 0.660 176.344 176.000 -0.527 0.000 1.142 266 Q CA -0.318 54.854 55.803 -1.051 0.000 0.902 266 Q CB 0.325 28.307 28.738 -1.260 0.000 1.350 266 Q HN 0.575 nan 8.270 nan 0.000 0.449 267 V N 3.328 122.993 119.914 -0.415 0.000 2.379 267 V HA 0.051 4.186 4.120 0.024 0.000 0.245 267 V C 0.624 176.597 176.094 -0.202 0.000 1.044 267 V CA 1.644 63.831 62.300 -0.188 0.000 1.036 267 V CB -0.202 31.620 31.823 -0.003 0.000 0.664 267 V HN 0.832 nan 8.190 nan 0.000 0.453 268 A N -1.605 121.063 122.820 -0.254 0.000 2.601 268 A HA 0.754 5.089 4.320 0.024 0.000 0.291 268 A C -0.767 176.697 177.584 -0.201 0.000 1.075 268 A CA 0.142 52.068 52.037 -0.184 0.000 0.671 268 A CB 1.817 20.747 19.000 -0.116 0.000 1.277 268 A HN 0.119 nan 8.150 nan 0.000 0.417 269 S N -1.148 114.470 115.700 -0.137 0.000 2.542 269 S HA 0.740 5.225 4.470 0.024 0.000 0.276 269 S C -0.602 173.959 174.600 -0.065 0.000 1.148 269 S CA 0.279 58.418 58.200 -0.102 0.000 0.886 269 S CB 1.438 64.569 63.200 -0.115 0.000 1.109 269 S HN 2.397 nan 8.310 nan 0.000 0.458 270 G N 1.591 110.365 108.800 -0.044 0.000 2.696 270 G HA2 0.698 4.673 3.960 0.024 0.000 0.295 270 G HA3 0.698 4.673 3.960 0.024 0.000 0.295 270 G C -1.399 173.488 174.900 -0.022 0.000 1.398 270 G CA -0.443 44.634 45.100 -0.037 0.000 0.920 270 G HN 0.742 nan 8.290 nan 0.000 0.492 271 T N -0.474 114.068 114.554 -0.019 0.000 2.909 271 T HA 0.869 5.234 4.350 0.024 0.000 0.299 271 T C -0.459 174.211 174.700 -0.050 0.000 1.073 271 T CA 0.052 62.149 62.100 -0.005 0.000 0.999 271 T CB 1.870 70.769 68.868 0.053 0.000 1.098 271 T HN 1.727 nan 8.240 nan 0.000 0.477 272 A N 2.916 125.674 122.820 -0.105 0.000 2.599 272 A HA 0.852 5.187 4.320 0.024 0.000 0.294 272 A C -3.190 174.253 177.584 -0.236 0.000 1.055 272 A CA -1.447 50.508 52.037 -0.137 0.000 0.683 272 A CB 1.118 20.037 19.000 -0.135 0.000 1.278 272 A HN 0.524 nan 8.150 nan 0.000 0.412 273 P HA 0.536 nan 4.420 nan 0.000 0.276 273 P C -0.504 176.655 177.300 -0.234 0.000 1.261 273 P CA -0.247 62.748 63.100 -0.174 0.000 0.800 273 P CB 0.310 31.979 31.700 -0.053 0.000 1.066 274 F N 0.048 119.960 119.950 -0.063 0.000 2.496 274 F HA 0.445 4.987 4.527 0.024 0.000 0.344 274 F C 1.499 177.284 175.800 -0.026 0.000 1.155 274 F CA 1.628 59.601 58.000 -0.046 0.000 1.302 274 F CB 0.145 39.112 39.000 -0.055 0.000 1.159 274 F HN 0.576 nan 8.300 nan 0.000 0.595 275 G N 1.627 110.549 108.800 0.203 0.000 2.951 275 G HA2 0.345 4.319 3.960 0.024 0.000 0.508 275 G HA3 0.345 4.319 3.960 0.024 0.000 0.508 275 G C -0.492 174.458 174.900 0.085 0.000 1.203 275 G CA -0.743 44.432 45.100 0.125 0.000 1.209 275 G HN 1.046 nan 8.290 nan 0.000 0.552 276 G N 0.605 109.474 108.800 0.115 0.000 2.557 276 G HA2 0.730 4.705 3.960 0.024 0.000 0.292 276 G HA3 0.730 4.705 3.960 0.024 0.000 0.292 276 G C 0.401 175.344 174.900 0.071 0.000 1.237 276 G CA -0.101 45.054 45.100 0.093 0.000 0.978 276 G HN 1.031 nan 8.290 nan 0.000 0.498 277 E N -0.910 119.325 120.200 0.059 0.000 2.409 277 E HA 0.203 4.568 4.350 0.024 0.000 0.257 277 E C -0.150 176.478 176.600 0.045 0.000 1.150 277 E CA -0.464 55.961 56.400 0.041 0.000 0.942 277 E CB 1.017 30.737 29.700 0.032 0.000 0.979 277 E HN 0.283 nan 8.360 nan 0.000 0.447 278 I N 1.975 122.560 120.570 0.024 0.000 2.668 278 I HA -0.125 4.060 4.170 0.024 0.000 0.285 278 I C 0.649 176.779 176.117 0.021 0.000 1.168 278 I CA 0.002 61.309 61.300 0.012 0.000 1.424 278 I CB 0.273 38.275 38.000 0.003 0.000 1.377 278 I HN 0.599 nan 8.210 nan 0.000 0.560 279 I N 4.526 125.105 120.570 0.016 0.000 2.729 279 I HA 0.044 4.229 4.170 0.024 0.000 0.256 279 I C 0.685 176.806 176.117 0.006 0.000 1.115 279 I CA 1.151 62.468 61.300 0.029 0.000 1.446 279 I CB -0.780 37.245 38.000 0.041 0.000 1.176 279 I HN 0.683 nan 8.210 nan 0.000 0.446 280 D N -1.773 118.617 120.400 -0.017 0.000 3.009 280 D HA 0.152 4.807 4.640 0.024 0.000 0.318 280 D C 0.527 176.814 176.300 -0.023 0.000 1.273 280 D CA -0.407 53.583 54.000 -0.016 0.000 1.001 280 D CB 0.413 41.202 40.800 -0.019 0.000 1.411 280 D HN -0.267 nan 8.370 nan 0.000 0.577 281 E N -1.039 119.149 120.200 -0.020 0.000 2.267 281 E HA -0.050 4.315 4.350 0.024 0.000 0.197 281 E C 1.370 177.953 176.600 -0.029 0.000 0.998 281 E CA 0.978 57.366 56.400 -0.020 0.000 0.830 281 E CB -0.005 29.686 29.700 -0.016 0.000 0.751 281 E HN 0.201 nan 8.360 nan 0.000 0.491 282 R N -0.418 120.057 120.500 -0.042 0.000 2.317 282 R HA 0.283 4.637 4.340 0.024 0.000 0.208 282 R C 0.841 177.101 176.300 -0.066 0.000 0.914 282 R CA 0.714 56.782 56.100 -0.053 0.000 1.060 282 R CB 0.560 30.822 30.300 -0.065 0.000 1.015 282 R HN 0.214 nan 8.270 nan 0.000 0.498 283 G N -0.659 108.104 108.800 -0.061 0.000 2.408 283 G HA2 -0.094 3.881 3.960 0.024 0.000 0.204 283 G HA3 -0.094 3.881 3.960 0.024 0.000 0.204 283 G C -0.304 174.551 174.900 -0.076 0.000 1.186 283 G CA -0.618 44.446 45.100 -0.060 0.000 1.139 283 G HN 0.464 nan 8.290 nan 0.000 0.563 284 G N -1.928 106.827 108.800 -0.076 0.000 3.015 284 G HA2 0.647 4.622 3.960 0.024 0.000 0.281 284 G HA3 0.647 4.622 3.960 0.024 0.000 0.281 284 G C -1.545 173.286 174.900 -0.115 0.000 1.386 284 G CA -0.748 44.319 45.100 -0.055 0.000 0.959 284 G HN 0.749 nan 8.290 nan 0.000 0.522 285 Y N 1.006 121.317 120.300 0.018 0.000 2.452 285 Y HA 0.394 4.958 4.550 0.023 0.000 0.348 285 Y C 1.518 177.436 175.900 0.031 0.000 0.985 285 Y CA 0.310 58.422 58.100 0.020 0.000 1.214 285 Y CB 1.667 40.144 38.460 0.027 0.000 1.136 285 Y HN 0.557 nan 8.280 nan 0.000 0.523 286 A N 2.009 124.893 122.820 0.107 0.000 2.067 286 A HA -0.151 4.184 4.320 0.024 0.000 0.219 286 A C 1.337 178.989 177.584 0.113 0.000 1.158 286 A CA 1.476 53.565 52.037 0.087 0.000 0.661 286 A CB -0.299 18.712 19.000 0.020 0.000 0.801 286 A HN 0.791 nan 8.150 nan 0.000 0.452 287 D N -0.801 119.665 120.400 0.111 0.000 2.427 287 D HA 0.162 4.817 4.640 0.024 0.000 0.224 287 D C 0.407 176.778 176.300 0.119 0.000 1.157 287 D CA -0.086 53.899 54.000 -0.024 0.000 0.828 287 D CB -0.068 40.695 40.800 -0.061 0.000 0.974 287 D HN 0.404 nan 8.370 nan 0.000 0.498 288 R N -0.927 119.767 120.500 0.322 0.000 2.799 288 R HA 0.762 5.117 4.340 0.024 0.000 0.270 288 R C -1.607 174.853 176.300 0.266 0.000 1.010 288 R CA -1.171 55.109 56.100 0.300 0.000 0.916 288 R CB 2.954 33.290 30.300 0.061 0.000 1.228 288 R HN -0.018 nan 8.270 nan 0.000 0.469 289 V N 0.221 120.190 119.914 0.092 0.000 3.077 289 V HA 0.479 4.613 4.120 0.024 0.000 0.299 289 V C -1.576 174.480 176.094 -0.063 0.000 1.276 289 V CA -0.312 61.958 62.300 -0.051 0.000 0.993 289 V CB 2.800 34.473 31.823 -0.250 0.000 1.076 289 V HN 0.822 nan 8.190 nan 0.000 0.434 290 T N 7.197 121.718 114.554 -0.055 0.000 2.786 290 T HA 0.615 4.979 4.350 0.024 0.000 0.283 290 T C -0.964 173.703 174.700 -0.056 0.000 0.992 290 T CA -0.408 61.665 62.100 -0.045 0.000 0.954 290 T CB 1.039 69.893 68.868 -0.024 0.000 0.934 290 T HN 0.426 nan 8.240 nan 0.000 0.440 291 L N 3.440 124.631 121.223 -0.055 0.000 2.325 291 L HA 0.604 4.959 4.340 0.024 0.000 0.278 291 L C 0.352 177.197 176.870 -0.042 0.000 1.023 291 L CA -0.514 54.294 54.840 -0.055 0.000 0.811 291 L CB 1.535 43.558 42.059 -0.060 0.000 1.249 291 L HN 0.559 nan 8.230 nan 0.000 0.431 292 R N 3.417 123.891 120.500 -0.042 0.000 2.476 292 R HA 0.734 5.089 4.340 0.024 0.000 0.305 292 R C -1.184 175.090 176.300 -0.044 0.000 0.965 292 R CA -0.505 55.570 56.100 -0.042 0.000 0.867 292 R CB 2.065 32.341 30.300 -0.040 0.000 1.176 292 R HN 0.470 nan 8.270 nan 0.000 0.447 293 L N 2.590 123.787 121.223 -0.043 0.000 2.365 293 L HA 0.487 4.842 4.340 0.024 0.000 0.273 293 L C -0.348 176.493 176.870 -0.048 0.000 1.000 293 L CA -1.126 53.687 54.840 -0.046 0.000 0.819 293 L CB 1.949 43.983 42.059 -0.042 0.000 1.284 293 L HN 0.501 nan 8.230 nan 0.000 0.418 294 N N 2.066 120.732 118.700 -0.056 0.000 2.472 294 N HA 0.369 5.124 4.740 0.024 0.000 0.277 294 N C -0.891 174.570 175.510 -0.082 0.000 1.081 294 N CA -0.216 52.796 53.050 -0.064 0.000 0.973 294 N CB 2.597 41.050 38.487 -0.057 0.000 1.105 294 N HN 0.194 nan 8.380 nan 0.000 0.470 295 V N 2.214 122.064 119.914 -0.106 0.000 2.443 295 V HA 0.174 4.309 4.120 0.024 0.000 0.293 295 V C -0.043 175.962 176.094 -0.148 0.000 1.021 295 V CA -0.849 61.349 62.300 -0.171 0.000 0.848 295 V CB 1.845 33.456 31.823 -0.354 0.000 0.998 295 V HN 0.458 nan 8.190 nan 0.000 0.424 296 E N 3.067 123.204 120.200 -0.105 0.000 2.259 296 E HA 0.274 4.639 4.350 0.024 0.000 0.281 296 E C 0.352 176.920 176.600 -0.054 0.000 1.027 296 E CA -0.201 56.162 56.400 -0.062 0.000 0.838 296 E CB 0.527 30.202 29.700 -0.041 0.000 1.066 296 E HN 0.747 nan 8.360 nan 0.000 0.401 297 N N 1.549 120.239 118.700 -0.016 0.000 2.705 297 N HA -0.159 4.596 4.740 0.024 0.000 0.255 297 N C -2.492 173.010 175.510 -0.013 0.000 1.008 297 N CA -0.053 53.002 53.050 0.010 0.000 0.742 297 N CB -0.959 37.536 38.487 0.013 0.000 0.906 297 N HN 0.280 nan 8.380 nan 0.000 0.541 298 P HA -0.004 nan 4.420 nan 0.000 0.269 298 P C -0.267 177.055 177.300 0.036 0.000 1.209 298 P CA 0.382 63.367 63.100 -0.193 0.000 0.776 298 P CB 0.661 32.077 31.700 -0.473 0.000 0.876 299 K N 2.442 122.948 120.400 0.177 0.000 2.316 299 K HA 0.262 4.596 4.320 0.024 0.000 0.289 299 K C 0.118 176.884 176.600 0.275 0.000 1.070 299 K CA -0.333 56.064 56.287 0.182 0.000 0.928 299 K CB 0.081 32.669 32.500 0.146 0.000 1.039 299 K HN 0.413 nan 8.250 nan 0.000 0.480 300 L N 2.504 123.821 121.223 0.158 0.000 2.395 300 L HA 0.295 4.649 4.340 0.024 0.000 0.269 300 L C 0.062 177.026 176.870 0.157 0.000 1.133 300 L CA -0.807 54.132 54.840 0.165 0.000 0.812 300 L CB 0.337 42.344 42.059 -0.088 0.000 1.125 300 L HN 0.591 nan 8.230 nan 0.000 0.452 301 W N 3.010 124.353 121.300 0.071 0.000 2.365 301 W HA 0.492 5.166 4.660 0.023 0.000 0.316 301 W C 0.032 176.521 176.519 -0.049 0.000 1.164 301 W CA 0.093 57.468 57.345 0.050 0.000 1.204 301 W CB 1.315 30.852 29.460 0.127 0.000 1.213 301 W HN 0.650 nan 8.180 nan 0.000 0.539 302 S N 3.016 118.236 115.700 -0.800 0.000 2.656 302 S HA 0.661 5.146 4.470 0.024 0.000 0.273 302 S C 0.087 173.947 174.600 -1.233 0.000 1.168 302 S CA -0.362 57.420 58.200 -0.696 0.000 0.817 302 S CB 1.177 64.259 63.200 -0.196 0.000 1.146 302 S HN 0.975 nan 8.310 nan 0.000 0.475 303 A N 0.339 122.611 122.820 -0.913 0.000 2.066 303 A HA 0.100 4.435 4.320 0.024 0.000 0.218 303 A C 1.748 179.026 177.584 -0.510 0.000 1.157 303 A CA 1.236 52.706 52.037 -0.944 0.000 0.670 303 A CB -0.897 17.357 19.000 -1.243 0.000 0.804 303 A HN 0.864 nan 8.150 nan 0.000 0.453 304 E N -0.771 119.277 120.200 -0.254 0.000 2.072 304 E HA 0.040 4.405 4.350 0.024 0.000 0.190 304 E C -0.291 176.175 176.600 -0.223 0.000 0.982 304 E CA 0.702 56.998 56.400 -0.175 0.000 0.803 304 E CB 0.023 29.744 29.700 0.036 0.000 0.755 304 E HN 0.591 nan 8.360 nan 0.000 0.453 305 I N 1.567 121.987 120.570 -0.250 0.000 2.540 305 I HA 0.153 4.338 4.170 0.024 0.000 0.280 305 I C -2.539 173.362 176.117 -0.360 0.000 1.083 305 I CA -1.960 59.206 61.300 -0.223 0.000 1.080 305 I CB 2.479 40.404 38.000 -0.126 0.000 1.205 305 I HN -0.216 nan 8.210 nan 0.000 0.459 306 P HA 0.123 nan 4.420 nan 0.000 0.220 306 P C -0.710 176.546 177.300 -0.072 0.000 1.806 306 P CA -0.369 62.426 63.100 -0.509 0.000 0.976 306 P CB -0.249 31.271 31.700 -0.300 0.000 1.952 307 N N 1.860 120.561 118.700 0.001 0.000 2.447 307 N HA 0.106 4.861 4.740 0.024 0.000 0.263 307 N C 0.081 175.809 175.510 0.363 0.000 1.226 307 N CA 0.557 53.694 53.050 0.146 0.000 0.906 307 N CB 0.697 39.276 38.487 0.154 0.000 1.060 307 N HN 0.308 nan 8.380 nan 0.000 0.468 308 L N 2.237 123.604 121.223 0.241 0.000 2.371 308 L HA 0.494 4.848 4.340 0.024 0.000 0.262 308 L C -0.791 176.181 176.870 0.171 0.000 1.006 308 L CA -0.882 54.162 54.840 0.341 0.000 0.818 308 L CB 1.311 43.530 42.059 0.267 0.000 1.354 308 L HN 0.366 nan 8.230 nan 0.000 0.415 309 Y N 0.066 120.515 120.300 0.249 0.000 2.675 309 Y HA 0.684 5.250 4.550 0.025 0.000 0.328 309 Y C -0.246 175.772 175.900 0.196 0.000 1.092 309 Y CA -0.922 57.322 58.100 0.240 0.000 1.190 309 Y CB 1.523 40.180 38.460 0.328 0.000 1.350 309 Y HN 0.368 nan 8.280 nan 0.000 0.525 310 R N 0.840 121.581 120.500 0.402 0.000 2.513 310 R HA 0.801 5.155 4.340 0.024 0.000 0.301 310 R C -1.704 174.784 176.300 0.314 0.000 0.968 310 R CA -0.545 55.719 56.100 0.275 0.000 0.872 310 R CB 1.192 31.591 30.300 0.166 0.000 1.177 310 R HN 0.743 nan 8.270 nan 0.000 0.444 311 A N 4.013 126.956 122.820 0.205 0.000 2.260 311 A HA 0.599 4.933 4.320 0.024 0.000 0.314 311 A C -0.974 176.656 177.584 0.077 0.000 1.257 311 A CA -0.607 51.520 52.037 0.151 0.000 0.871 311 A CB 1.069 20.124 19.000 0.091 0.000 1.166 311 A HN 0.480 nan 8.150 nan 0.000 0.522 312 V N 3.503 123.476 119.914 0.098 0.000 2.417 312 V HA 0.407 4.542 4.120 0.024 0.000 0.291 312 V C -0.358 175.712 176.094 -0.041 0.000 1.024 312 V CA -0.495 61.807 62.300 0.004 0.000 0.861 312 V CB 1.667 33.505 31.823 0.025 0.000 0.985 312 V HN 0.607 nan 8.190 nan 0.000 0.436 313 V N 4.954 124.780 119.914 -0.148 0.000 2.334 313 V HA 0.444 4.579 4.120 0.024 0.000 0.281 313 V C -0.213 175.830 176.094 -0.086 0.000 1.016 313 V CA -0.579 61.618 62.300 -0.172 0.000 0.832 313 V CB 1.337 32.912 31.823 -0.415 0.000 0.999 313 V HN 0.970 nan 8.190 nan 0.000 0.439 314 E N 4.240 124.442 120.200 0.004 0.000 2.171 314 E HA 0.558 4.922 4.350 0.024 0.000 0.271 314 E C -0.996 175.698 176.600 0.156 0.000 0.916 314 E CA -0.899 55.550 56.400 0.082 0.000 0.774 314 E CB 2.692 32.464 29.700 0.120 0.000 1.128 314 E HN 0.470 nan 8.360 nan 0.000 0.403 315 L N 4.269 125.559 121.223 0.112 0.000 2.264 315 L HA 0.414 4.768 4.340 0.024 0.000 0.289 315 L C -1.000 175.955 176.870 0.141 0.000 1.044 315 L CA 0.169 55.061 54.840 0.088 0.000 0.807 315 L CB -0.111 41.996 42.059 0.080 0.000 1.192 315 L HN 0.710 nan 8.230 nan 0.000 0.425 316 H N 0.346 119.458 119.070 0.070 0.000 2.942 316 H HA 0.817 5.388 4.556 0.024 0.000 0.316 316 H C -0.721 174.678 175.328 0.118 0.000 1.323 316 H CA -0.496 55.596 56.048 0.073 0.000 1.144 316 H CB 0.780 30.566 29.762 0.040 0.000 1.866 316 H HN 0.516 nan 8.280 nan 0.000 0.545 317 T N -2.353 112.330 114.554 0.215 0.000 2.944 317 T HA 0.563 4.928 4.350 0.024 0.000 0.284 317 T C 1.421 176.257 174.700 0.227 0.000 1.010 317 T CA -0.403 61.826 62.100 0.215 0.000 1.025 317 T CB 1.564 70.535 68.868 0.172 0.000 1.079 317 T HN 0.937 nan 8.240 nan 0.000 0.516 318 A N 1.428 124.360 122.820 0.187 0.000 1.948 318 A HA -0.156 4.179 4.320 0.024 0.000 0.220 318 A C 1.833 179.488 177.584 0.118 0.000 1.177 318 A CA 2.174 54.301 52.037 0.150 0.000 0.636 318 A CB -1.340 17.740 19.000 0.132 0.000 0.815 318 A HN 1.016 nan 8.150 nan 0.000 0.449 319 D N -1.956 118.483 120.400 0.066 0.000 2.378 319 D HA 0.234 4.889 4.640 0.024 0.000 0.222 319 D C 1.147 177.476 176.300 0.048 0.000 0.980 319 D CA 1.081 55.100 54.000 0.031 0.000 0.907 319 D CB -0.702 40.089 40.800 -0.015 0.000 0.899 319 D HN 1.006 nan 8.370 nan 0.000 0.527 320 G N -1.174 107.689 108.800 0.105 0.000 2.131 320 G HA2 -0.205 3.770 3.960 0.024 0.000 0.201 320 G HA3 -0.205 3.770 3.960 0.024 0.000 0.201 320 G C 0.051 174.980 174.900 0.048 0.000 1.000 320 G CA 0.065 45.199 45.100 0.057 0.000 0.680 320 G HN 0.421 nan 8.290 nan 0.000 0.514 321 T N 1.141 115.751 114.554 0.093 0.000 2.767 321 T HA 0.546 4.911 4.350 0.024 0.000 0.288 321 T C 0.312 175.079 174.700 0.112 0.000 0.963 321 T CA -0.373 61.767 62.100 0.066 0.000 1.019 321 T CB 2.009 70.903 68.868 0.042 0.000 0.923 321 T HN 0.568 nan 8.240 nan 0.000 0.468 322 L N 4.488 125.757 121.223 0.076 0.000 2.416 322 L HA 0.349 4.703 4.340 0.024 0.000 0.272 322 L C 0.694 177.619 176.870 0.091 0.000 1.161 322 L CA 0.447 55.346 54.840 0.099 0.000 0.845 322 L CB 0.094 42.183 42.059 0.049 0.000 1.119 322 L HN 0.722 nan 8.230 nan 0.000 0.464 323 I N 2.393 123.025 120.570 0.104 0.000 2.729 323 I HA 0.156 4.341 4.170 0.024 0.000 0.256 323 I C 0.179 176.319 176.117 0.040 0.000 1.115 323 I CA 0.351 61.691 61.300 0.066 0.000 1.446 323 I CB 0.198 38.239 38.000 0.069 0.000 1.176 323 I HN 0.809 nan 8.210 nan 0.000 0.446 324 E N 0.238 120.463 120.200 0.042 0.000 2.409 324 E HA 0.704 5.069 4.350 0.024 0.000 0.280 324 E C -1.501 175.121 176.600 0.037 0.000 1.079 324 E CA -1.074 55.340 56.400 0.024 0.000 0.840 324 E CB 1.696 31.373 29.700 -0.037 0.000 1.309 324 E HN -0.020 nan 8.360 nan 0.000 0.447 325 A N 1.245 124.110 122.820 0.075 0.000 2.414 325 A HA 0.718 5.052 4.320 0.024 0.000 0.306 325 A C -0.939 176.748 177.584 0.171 0.000 1.054 325 A CA -0.712 51.377 52.037 0.087 0.000 0.724 325 A CB 1.629 20.682 19.000 0.088 0.000 1.267 325 A HN 0.511 nan 8.150 nan 0.000 0.418 326 E N -0.356 119.879 120.200 0.058 0.000 2.355 326 E HA 0.865 5.229 4.350 0.024 0.000 0.261 326 E C -0.441 176.210 176.600 0.084 0.000 0.943 326 E CA -0.428 56.066 56.400 0.156 0.000 0.806 326 E CB 2.356 32.036 29.700 -0.033 0.000 1.286 326 E HN 1.223 nan 8.360 nan 0.000 0.424 327 A N -0.271 122.705 122.820 0.259 0.000 2.540 327 A HA 0.698 5.032 4.320 0.024 0.000 0.291 327 A C -1.249 176.525 177.584 0.316 0.000 1.083 327 A CA -0.291 51.810 52.037 0.106 0.000 0.650 327 A CB 0.608 19.608 19.000 0.001 0.000 1.292 327 A HN 0.880 nan 8.150 nan 0.000 0.435 328 C N -0.732 118.704 119.300 0.227 0.000 3.311 328 C HA 0.803 5.277 4.460 0.024 0.000 0.325 328 C C -1.354 173.734 174.990 0.164 0.000 1.352 328 C CA -0.911 58.252 59.018 0.242 0.000 1.308 328 C CB 1.023 28.933 27.740 0.285 0.000 1.619 328 C HN 0.830 nan 8.230 nan 0.000 0.469 329 D N 0.978 121.463 120.400 0.142 0.000 2.345 329 D HA 0.532 5.186 4.640 0.024 0.000 0.247 329 D C -0.345 176.018 176.300 0.105 0.000 1.108 329 D CA 0.205 54.289 54.000 0.140 0.000 0.894 329 D CB 1.798 42.685 40.800 0.145 0.000 1.203 329 D HN 0.550 nan 8.370 nan 0.000 0.430 330 V N 1.221 121.225 119.914 0.149 0.000 2.495 330 V HA 0.628 4.763 4.120 0.024 0.000 0.298 330 V C 0.606 176.763 176.094 0.105 0.000 1.031 330 V CA -0.848 61.481 62.300 0.048 0.000 0.871 330 V CB 1.974 33.799 31.823 0.003 0.000 0.988 330 V HN 0.596 nan 8.190 nan 0.000 0.432 331 G N 3.232 111.986 108.800 -0.077 0.000 2.422 331 G HA2 0.597 4.572 3.960 0.024 0.000 0.317 331 G HA3 0.597 4.572 3.960 0.024 0.000 0.317 331 G C -0.953 174.011 174.900 0.107 0.000 1.210 331 G CA -0.375 44.768 45.100 0.072 0.000 0.930 331 G HN 0.425 nan 8.290 nan 0.000 0.468 332 F N 3.957 124.092 119.950 0.308 0.000 2.466 332 F HA 0.442 4.983 4.527 0.024 0.000 0.363 332 F C 1.129 177.202 175.800 0.455 0.000 1.109 332 F CA -0.037 58.202 58.000 0.398 0.000 1.161 332 F CB 0.709 39.953 39.000 0.406 0.000 1.117 332 F HN 0.458 nan 8.300 nan 0.000 0.539 333 R N 3.217 124.025 120.500 0.515 0.000 2.664 333 R HA 0.398 4.753 4.340 0.024 0.000 0.266 333 R C -1.913 174.534 176.300 0.246 0.000 1.046 333 R CA -0.786 55.444 56.100 0.216 0.000 0.885 333 R CB 1.595 32.060 30.300 0.275 0.000 1.254 333 R HN 0.617 nan 8.270 nan 0.000 0.465 334 E N 2.216 122.450 120.200 0.056 0.000 2.199 334 E HA 0.495 4.859 4.350 0.024 0.000 0.269 334 E C -1.245 175.419 176.600 0.106 0.000 0.899 334 E CA -0.937 55.580 56.400 0.196 0.000 0.772 334 E CB 2.204 32.076 29.700 0.287 0.000 1.155 334 E HN 0.408 nan 8.360 nan 0.000 0.408 335 V N 5.158 125.133 119.914 0.103 0.000 2.448 335 V HA 0.602 4.736 4.120 0.024 0.000 0.295 335 V C -0.204 175.929 176.094 0.065 0.000 1.025 335 V CA -0.695 61.638 62.300 0.056 0.000 0.859 335 V CB 1.165 32.999 31.823 0.020 0.000 0.988 335 V HN 0.756 nan 8.190 nan 0.000 0.431 336 R N 4.061 124.594 120.500 0.055 0.000 2.710 336 R HA 0.738 5.092 4.340 0.024 0.000 0.270 336 R C -2.081 174.244 176.300 0.042 0.000 1.021 336 R CA -0.934 55.201 56.100 0.059 0.000 0.889 336 R CB 1.920 32.269 30.300 0.082 0.000 1.243 336 R HN 0.516 nan 8.270 nan 0.000 0.464 337 I N 1.382 121.978 120.570 0.042 0.000 2.354 337 I HA 0.358 4.543 4.170 0.024 0.000 0.292 337 I C -0.606 175.533 176.117 0.037 0.000 0.989 337 I CA -0.376 60.944 61.300 0.032 0.000 1.188 337 I CB 1.817 39.838 38.000 0.034 0.000 1.342 337 I HN 0.730 nan 8.210 nan 0.000 0.457 338 E N 5.758 125.976 120.200 0.030 0.000 2.321 338 E HA 0.261 4.626 4.350 0.024 0.000 0.278 338 E C -0.178 176.435 176.600 0.023 0.000 0.902 338 E CA -0.583 55.836 56.400 0.032 0.000 0.758 338 E CB 1.108 30.833 29.700 0.042 0.000 1.213 338 E HN 0.500 nan 8.360 nan 0.000 0.426 339 N N 3.107 121.821 118.700 0.022 0.000 2.708 339 N HA -0.243 4.512 4.740 0.024 0.000 0.249 339 N C 0.512 176.028 175.510 0.011 0.000 1.097 339 N CA 2.303 55.362 53.050 0.016 0.000 0.710 339 N CB -1.184 37.311 38.487 0.014 0.000 1.032 339 N HN 1.072 nan 8.380 nan 0.000 0.551 340 G N -2.414 106.393 108.800 0.012 0.000 2.176 340 G HA2 -0.272 3.703 3.960 0.024 0.000 0.253 340 G HA3 -0.272 3.703 3.960 0.024 0.000 0.253 340 G C -0.121 174.775 174.900 -0.006 0.000 0.979 340 G CA 0.461 45.565 45.100 0.005 0.000 0.641 340 G HN 0.474 nan 8.290 nan 0.000 0.530 341 L N -0.058 121.161 121.223 -0.006 0.000 2.362 341 L HA 0.709 5.064 4.340 0.024 0.000 0.271 341 L C 0.123 176.982 176.870 -0.018 0.000 1.002 341 L CA -1.347 53.480 54.840 -0.021 0.000 0.818 341 L CB 1.899 43.944 42.059 -0.023 0.000 1.298 341 L HN 0.076 nan 8.230 nan 0.000 0.420 342 L N 4.325 125.525 121.223 -0.038 0.000 2.325 342 L HA 0.401 4.755 4.340 0.024 0.000 0.284 342 L C -0.759 176.084 176.870 -0.044 0.000 1.089 342 L CA 0.442 55.259 54.840 -0.038 0.000 0.836 342 L CB 0.084 42.106 42.059 -0.062 0.000 1.184 342 L HN 0.380 nan 8.230 nan 0.000 0.444 343 L N 5.830 127.043 121.223 -0.016 0.000 2.334 343 L HA 0.548 4.903 4.340 0.024 0.000 0.276 343 L C -0.705 176.163 176.870 -0.004 0.000 1.014 343 L CA -0.817 54.019 54.840 -0.007 0.000 0.815 343 L CB 1.872 43.949 42.059 0.030 0.000 1.268 343 L HN 0.532 nan 8.230 nan 0.000 0.428 344 L N 3.409 124.636 121.223 0.006 0.000 2.349 344 L HA 0.474 4.829 4.340 0.024 0.000 0.278 344 L C -0.236 176.632 176.870 -0.003 0.000 0.996 344 L CA -0.167 54.684 54.840 0.019 0.000 0.825 344 L CB 1.011 43.086 42.059 0.026 0.000 1.243 344 L HN 0.601 nan 8.230 nan 0.000 0.412 345 N N 4.158 122.703 118.700 -0.259 0.000 2.716 345 N HA -0.222 4.532 4.740 0.024 0.000 0.250 345 N C 0.929 176.004 175.510 -0.725 0.000 1.033 345 N CA 1.347 53.871 53.050 -0.876 0.000 0.727 345 N CB -1.113 36.809 38.487 -0.940 0.000 0.950 345 N HN 1.151 nan 8.380 nan 0.000 0.541 346 G N -2.006 106.665 108.800 -0.215 0.000 2.184 346 G HA2 -0.360 3.615 3.960 0.024 0.000 0.264 346 G HA3 -0.360 3.615 3.960 0.024 0.000 0.264 346 G C -0.073 174.846 174.900 0.032 0.000 0.975 346 G CA 0.958 46.077 45.100 0.031 0.000 0.642 346 G HN 0.431 nan 8.290 nan 0.000 0.536 347 K N 0.830 121.249 120.400 0.031 0.000 2.207 347 K HA 0.529 4.864 4.320 0.024 0.000 0.255 347 K C -2.804 173.773 176.600 -0.038 0.000 0.941 347 K CA -2.397 53.881 56.287 -0.016 0.000 0.825 347 K CB 2.439 34.872 32.500 -0.112 0.000 1.119 347 K HN 0.078 nan 8.250 nan 0.000 0.430 348 P HA 0.161 nan 4.420 nan 0.000 0.276 348 P C -0.081 177.151 177.300 -0.114 0.000 1.253 348 P CA -0.170 62.884 63.100 -0.078 0.000 0.766 348 P CB 0.480 32.137 31.700 -0.072 0.000 0.845 349 L N 3.414 124.561 121.223 -0.126 0.000 2.472 349 L HA 0.298 4.652 4.340 0.024 0.000 0.260 349 L C 0.690 177.467 176.870 -0.155 0.000 1.209 349 L CA -0.519 54.229 54.840 -0.154 0.000 0.817 349 L CB 0.171 42.092 42.059 -0.230 0.000 1.106 349 L HN 0.266 nan 8.230 nan 0.000 0.479 350 L N 2.863 124.008 121.223 -0.130 0.000 2.471 350 L HA 0.409 4.763 4.340 0.024 0.000 0.263 350 L C -0.592 176.217 176.870 -0.102 0.000 0.985 350 L CA -0.231 54.515 54.840 -0.157 0.000 0.868 350 L CB 0.922 42.923 42.059 -0.096 0.000 1.203 350 L HN 0.230 nan 8.230 nan 0.000 0.429 351 I N 4.647 125.090 120.570 -0.211 0.000 2.505 351 I HA 0.172 4.357 4.170 0.024 0.000 0.287 351 I C 0.625 176.696 176.117 -0.077 0.000 1.104 351 I CA 0.285 61.480 61.300 -0.174 0.000 1.387 351 I CB 0.305 38.070 38.000 -0.393 0.000 1.404 351 I HN 0.543 nan 8.210 nan 0.000 0.528 352 R N 4.993 125.550 120.500 0.095 0.000 2.755 352 R HA 0.457 4.812 4.340 0.024 0.000 0.268 352 R C 0.481 176.934 176.300 0.255 0.000 1.295 352 R CA -0.292 55.938 56.100 0.217 0.000 1.379 352 R CB 0.892 31.166 30.300 -0.043 0.000 1.170 352 R HN 0.775 nan 8.270 nan 0.000 0.584 353 G N 0.230 109.129 108.800 0.165 0.000 2.597 353 G HA2 0.595 4.569 3.960 0.024 0.000 0.317 353 G HA3 0.595 4.569 3.960 0.024 0.000 0.317 353 G C -1.303 173.888 174.900 0.485 0.000 1.230 353 G CA -0.471 44.710 45.100 0.134 0.000 0.996 353 G HN 0.234 nan 8.290 nan 0.000 0.490 354 V N 0.027 120.192 119.914 0.418 0.000 2.932 354 V HA 0.459 4.593 4.120 0.024 0.000 0.307 354 V C -1.119 175.106 176.094 0.217 0.000 1.147 354 V CA -1.188 61.249 62.300 0.228 0.000 0.951 354 V CB 2.168 33.832 31.823 -0.265 0.000 1.031 354 V HN 0.762 nan 8.190 nan 0.000 0.426 355 N N 4.313 123.071 118.700 0.097 0.000 2.529 355 N HA 0.474 5.229 4.740 0.024 0.000 0.278 355 N C -0.702 174.610 175.510 -0.330 0.000 1.146 355 N CA -0.308 52.662 53.050 -0.134 0.000 0.980 355 N CB 1.448 39.779 38.487 -0.260 0.000 1.124 355 N HN 0.680 nan 8.380 nan 0.000 0.458 356 R N 2.108 122.373 120.500 -0.391 0.000 2.531 356 R HA 0.193 4.548 4.340 0.024 0.000 0.293 356 R C -1.140 174.915 176.300 -0.409 0.000 1.124 356 R CA -0.575 55.317 56.100 -0.346 0.000 0.945 356 R CB 0.639 30.732 30.300 -0.344 0.000 1.195 356 R HN 0.577 nan 8.270 nan 0.000 0.433 357 H N 2.222 121.129 119.070 -0.273 0.000 2.547 357 H HA 0.119 4.690 4.556 0.025 0.000 0.362 357 H C -0.470 174.843 175.328 -0.024 0.000 1.181 357 H CA 0.205 56.185 56.048 -0.113 0.000 1.376 357 H CB 1.361 31.121 29.762 -0.005 0.000 1.488 357 H HN 0.573 nan 8.280 nan 0.000 0.583 358 E N 1.915 122.281 120.200 0.278 0.000 2.052 358 E HA 0.113 4.477 4.350 0.024 0.000 0.283 358 E C -0.670 176.078 176.600 0.247 0.000 1.071 358 E CA 0.004 56.502 56.400 0.164 0.000 0.851 358 E CB 0.347 30.160 29.700 0.189 0.000 1.066 358 E HN 0.400 nan 8.360 nan 0.000 0.396 359 H N 1.738 120.864 119.070 0.093 0.000 2.856 359 H HA 0.230 4.801 4.556 0.024 0.000 0.355 359 H C -1.643 173.737 175.328 0.086 0.000 1.079 359 H CA -0.693 55.409 56.048 0.090 0.000 1.240 359 H CB 1.010 30.816 29.762 0.072 0.000 1.701 359 H HN 0.410 nan 8.280 nan 0.000 0.527 360 H N 6.495 125.257 119.070 -0.512 0.000 2.609 360 H HA 0.225 4.796 4.556 0.024 0.000 0.344 360 H C -2.259 172.708 175.328 -0.602 0.000 1.040 360 H CA -2.556 53.276 56.048 -0.359 0.000 1.216 360 H CB 2.499 32.196 29.762 -0.108 0.000 1.529 360 H HN 0.547 nan 8.280 nan 0.000 0.519 361 P HA -0.094 nan 4.420 nan 0.000 0.222 361 P C 1.197 178.425 177.300 -0.120 0.000 1.147 361 P CA 0.743 63.697 63.100 -0.245 0.000 0.790 361 P CB 0.870 32.461 31.700 -0.182 0.000 0.780 362 L N -2.207 119.127 121.223 0.184 0.000 2.467 362 L HA 0.148 4.502 4.340 0.024 0.000 0.213 362 L C 2.081 178.717 176.870 -0.390 0.000 1.053 362 L CA 0.678 55.408 54.840 -0.183 0.000 0.847 362 L CB -0.336 41.478 42.059 -0.408 0.000 1.075 362 L HN -0.059 nan 8.230 nan 0.000 0.479 363 H N -1.053 117.921 119.070 -0.160 0.000 2.529 363 H HA 0.273 4.843 4.556 0.024 0.000 0.277 363 H C 1.414 176.626 175.328 -0.193 0.000 1.004 363 H CA 0.238 56.135 56.048 -0.251 0.000 1.167 363 H CB 0.391 29.907 29.762 -0.409 0.000 1.445 363 H HN 0.385 nan 8.280 nan 0.000 0.554 364 G N 1.505 110.214 108.800 -0.152 0.000 2.601 364 G HA2 -0.425 3.550 3.960 0.024 0.000 0.306 364 G HA3 -0.425 3.550 3.960 0.024 0.000 0.306 364 G C 0.824 175.627 174.900 -0.161 0.000 1.172 364 G CA 0.590 45.538 45.100 -0.254 0.000 0.966 364 G HN 0.483 nan 8.290 nan 0.000 0.542 365 Q N -0.040 119.707 119.800 -0.090 0.000 2.247 365 Q HA 0.486 4.841 4.340 0.024 0.000 0.204 365 Q C 0.363 176.456 176.000 0.156 0.000 0.872 365 Q CA -0.110 55.691 55.803 -0.003 0.000 0.951 365 Q CB 1.363 30.005 28.738 -0.159 0.000 1.099 365 Q HN 0.354 nan 8.270 nan 0.000 0.501 366 V N 2.105 122.087 119.914 0.113 0.000 2.488 366 V HA 0.149 4.283 4.120 0.024 0.000 0.277 366 V C 0.055 176.204 176.094 0.093 0.000 1.046 366 V CA 0.136 62.500 62.300 0.107 0.000 0.986 366 V CB 0.939 32.757 31.823 -0.008 0.000 0.989 366 V HN 0.317 nan 8.190 nan 0.000 0.475 367 M N 5.626 125.289 119.600 0.105 0.000 2.404 367 M HA 0.506 5.000 4.480 0.024 0.000 0.338 367 M C -0.445 175.859 176.300 0.007 0.000 1.150 367 M CA -0.834 54.506 55.300 0.067 0.000 1.016 367 M CB 1.732 34.355 32.600 0.038 0.000 1.672 367 M HN 0.840 nan 8.290 nan 0.000 0.448 368 D N 0.554 120.954 120.400 0.001 0.000 2.547 368 D HA 0.211 4.866 4.640 0.024 0.000 0.231 368 D C 0.148 176.447 176.300 -0.002 0.000 1.099 368 D CA -0.430 53.563 54.000 -0.011 0.000 0.901 368 D CB 1.612 42.419 40.800 0.012 0.000 1.478 368 D HN 0.714 nan 8.370 nan 0.000 0.471 369 E N -0.074 120.129 120.200 0.004 0.000 2.110 369 E HA -0.285 4.079 4.350 0.024 0.000 0.193 369 E C 1.434 178.079 176.600 0.075 0.000 0.988 369 E CA 1.381 57.803 56.400 0.037 0.000 0.804 369 E CB 0.186 29.918 29.700 0.054 0.000 0.745 369 E HN 0.300 nan 8.360 nan 0.000 0.458 370 Q N 0.256 120.103 119.800 0.079 0.000 2.045 370 Q HA -0.144 4.211 4.340 0.024 0.000 0.206 370 Q C 2.184 178.246 176.000 0.104 0.000 0.991 370 Q CA 2.403 58.261 55.803 0.092 0.000 0.851 370 Q CB -0.851 27.945 28.738 0.096 0.000 0.911 370 Q HN 0.272 nan 8.270 nan 0.000 0.418 371 T N 0.240 114.867 114.554 0.121 0.000 2.652 371 T HA -0.176 4.189 4.350 0.024 0.000 0.267 371 T C 1.813 176.595 174.700 0.137 0.000 1.039 371 T CA 1.736 63.920 62.100 0.140 0.000 1.153 371 T CB -0.244 68.734 68.868 0.183 0.000 0.863 371 T HN 0.263 nan 8.240 nan 0.000 0.428 372 M N 0.373 120.055 119.600 0.137 0.000 2.108 372 M HA -0.110 4.384 4.480 0.024 0.000 0.261 372 M C 2.444 178.860 176.300 0.194 0.000 1.066 372 M CA 1.333 56.779 55.300 0.245 0.000 1.107 372 M CB -0.561 32.213 32.600 0.290 0.000 1.356 372 M HN 0.100 nan 8.290 nan 0.000 0.406 373 V N 0.096 120.063 119.914 0.088 0.000 2.407 373 V HA -0.288 3.847 4.120 0.024 0.000 0.248 373 V C 2.317 178.384 176.094 -0.046 0.000 1.055 373 V CA 1.933 64.211 62.300 -0.037 0.000 1.049 373 V CB -0.763 31.075 31.823 0.025 0.000 0.662 373 V HN 0.560 nan 8.190 nan 0.000 0.455 374 Q N -0.543 119.289 119.800 0.054 0.000 2.124 374 Q HA -0.244 4.111 4.340 0.024 0.000 0.202 374 Q C 1.887 177.964 176.000 0.129 0.000 0.977 374 Q CA 1.821 57.677 55.803 0.087 0.000 0.850 374 Q CB -0.039 28.768 28.738 0.115 0.000 0.901 374 Q HN 0.612 nan 8.270 nan 0.000 0.429 375 D N 0.322 120.811 120.400 0.150 0.000 2.097 375 D HA -0.106 4.549 4.640 0.024 0.000 0.197 375 D C 1.898 178.150 176.300 -0.080 0.000 0.984 375 D CA 0.961 55.058 54.000 0.160 0.000 0.826 375 D CB -0.139 40.742 40.800 0.134 0.000 0.973 375 D HN 0.318 nan 8.370 nan 0.000 0.460 376 I N 0.604 121.119 120.570 -0.090 0.000 2.179 376 I HA -0.243 3.942 4.170 0.024 0.000 0.242 376 I C 2.431 178.417 176.117 -0.220 0.000 1.088 376 I CA 0.732 61.876 61.300 -0.259 0.000 1.357 376 I CB -0.221 37.504 38.000 -0.460 0.000 1.051 376 I HN 0.019 nan 8.210 nan 0.000 0.409 377 L N 0.253 121.381 121.223 -0.159 0.000 2.046 377 L HA -0.233 4.122 4.340 0.024 0.000 0.208 377 L C 2.596 179.539 176.870 0.122 0.000 1.077 377 L CA 1.430 56.265 54.840 -0.008 0.000 0.747 377 L CB -0.518 41.554 42.059 0.021 0.000 0.896 377 L HN 0.289 nan 8.230 nan 0.000 0.432 378 L N -1.137 120.184 121.223 0.164 0.000 2.083 378 L HA -0.247 4.107 4.340 0.024 0.000 0.209 378 L C 2.685 179.748 176.870 0.322 0.000 1.083 378 L CA 1.228 56.259 54.840 0.318 0.000 0.752 378 L CB -0.346 42.016 42.059 0.504 0.000 0.899 378 L HN 0.300 nan 8.230 nan 0.000 0.433 379 M N -0.431 119.175 119.600 0.011 0.000 2.065 379 M HA -0.268 4.227 4.480 0.024 0.000 0.259 379 M C 2.369 178.775 176.300 0.176 0.000 1.071 379 M CA 1.951 57.188 55.300 -0.105 0.000 1.109 379 M CB -0.371 31.960 32.600 -0.448 0.000 1.313 379 M HN 0.092 nan 8.290 nan 0.000 0.408 380 K N -0.048 120.348 120.400 -0.007 0.000 2.063 380 K HA -0.217 4.118 4.320 0.024 0.000 0.208 380 K C 1.944 178.544 176.600 0.000 0.000 1.048 380 K CA 1.572 57.742 56.287 -0.196 0.000 0.928 380 K CB -0.291 31.918 32.500 -0.484 0.000 0.713 380 K HN 0.483 nan 8.250 nan 0.000 0.442 381 Q N 0.282 120.257 119.800 0.291 0.000 2.291 381 Q HA -0.069 4.286 4.340 0.024 0.000 0.206 381 Q C 0.893 177.211 176.000 0.530 0.000 0.976 381 Q CA 0.785 56.883 55.803 0.493 0.000 0.875 381 Q CB 0.052 29.057 28.738 0.445 0.000 0.927 381 Q HN 0.302 nan 8.270 nan 0.000 0.450 382 N N 0.714 119.667 118.700 0.423 0.000 2.279 382 N HA 0.040 4.795 4.740 0.024 0.000 0.226 382 N C -0.601 175.003 175.510 0.156 0.000 1.126 382 N CA 0.030 53.314 53.050 0.390 0.000 0.846 382 N CB 0.614 39.410 38.487 0.516 0.000 1.050 382 N HN 0.156 nan 8.380 nan 0.000 0.502 383 N N 0.294 119.103 118.700 0.181 0.000 2.747 383 N HA -0.191 4.564 4.740 0.024 0.000 0.249 383 N C -1.010 174.422 175.510 -0.129 0.000 1.107 383 N CA 0.793 53.915 53.050 0.119 0.000 0.707 383 N CB -1.774 36.713 38.487 0.000 0.000 1.054 383 N HN 0.264 nan 8.380 nan 0.000 0.555 384 F N 0.902 120.887 119.950 0.059 0.000 2.394 384 F HA 0.304 4.845 4.527 0.024 0.000 0.340 384 F C 1.708 177.511 175.800 0.005 0.000 1.105 384 F CA -0.712 57.303 58.000 0.025 0.000 1.124 384 F CB 0.976 39.957 39.000 -0.031 0.000 1.145 384 F HN 0.040 nan 8.300 nan 0.000 0.505 385 N N 1.132 119.961 118.700 0.215 0.000 2.171 385 N HA 0.427 5.182 4.740 0.024 0.000 0.212 385 N C -0.771 174.798 175.510 0.098 0.000 1.184 385 N CA -0.005 53.102 53.050 0.096 0.000 0.888 385 N CB 0.784 39.381 38.487 0.184 0.000 1.038 385 N HN 0.449 nan 8.380 nan 0.000 0.517 386 A N -0.555 122.393 122.820 0.214 0.000 2.594 386 A HA 0.739 5.073 4.320 0.024 0.000 0.295 386 A C -1.759 176.039 177.584 0.356 0.000 1.071 386 A CA -0.684 51.535 52.037 0.303 0.000 0.685 386 A CB 1.749 20.955 19.000 0.343 0.000 1.285 386 A HN 0.216 nan 8.150 nan 0.000 0.405 387 V N 1.109 121.272 119.914 0.414 0.000 2.841 387 V HA 0.834 4.968 4.120 0.024 0.000 0.310 387 V C -0.572 175.669 176.094 0.244 0.000 1.090 387 V CA -0.735 61.772 62.300 0.345 0.000 0.930 387 V CB 1.866 33.821 31.823 0.220 0.000 1.014 387 V HN 1.159 nan 8.190 nan 0.000 0.425 388 R N 4.861 125.352 120.500 -0.015 0.000 2.393 388 R HA 0.487 4.842 4.340 0.024 0.000 0.310 388 R C -0.760 175.404 176.300 -0.228 0.000 0.968 388 R CA -0.462 55.439 56.100 -0.333 0.000 0.867 388 R CB 1.196 31.044 30.300 -0.752 0.000 1.124 388 R HN 0.802 nan 8.270 nan 0.000 0.450 389 C N 4.481 123.679 119.300 -0.170 0.000 3.183 389 C HA 0.111 4.586 4.460 0.024 0.000 0.545 389 C C 0.433 175.151 174.990 -0.454 0.000 1.044 389 C CA -0.402 58.469 59.018 -0.245 0.000 1.117 389 C CB -2.155 25.560 27.740 -0.042 0.000 1.393 389 C HN 0.724 nan 8.230 nan 0.000 0.611 390 S N 1.490 116.790 115.700 -0.667 0.000 2.465 390 S HA 0.161 4.645 4.470 0.024 0.000 0.280 390 S C -0.127 173.536 174.600 -1.561 0.000 1.232 390 S CA 0.134 57.644 58.200 -1.150 0.000 1.066 390 S CB 0.138 62.579 63.200 -1.265 0.000 0.929 390 S HN 0.724 nan 8.310 nan 0.000 0.494 391 H N 3.653 122.093 119.070 -1.049 0.000 2.439 391 H HA 0.337 4.908 4.556 0.024 0.000 0.228 391 H C -1.098 174.114 175.328 -0.193 0.000 1.423 391 H CA -0.349 55.485 56.048 -0.357 0.000 1.386 391 H CB -0.145 29.618 29.762 0.002 0.000 1.641 391 H HN 0.891 nan 8.280 nan 0.000 0.508 392 Y N -2.675 117.731 120.300 0.177 0.000 2.810 392 Y HA 0.392 4.957 4.550 0.025 0.000 0.355 392 Y C -3.323 172.688 175.900 0.186 0.000 1.211 392 Y CA -2.994 55.220 58.100 0.191 0.000 1.112 392 Y CB -0.018 38.560 38.460 0.197 0.000 1.383 392 Y HN -0.080 nan 8.280 nan 0.000 0.458 393 P HA 0.190 nan 4.420 nan 0.000 0.271 393 P C -0.636 176.960 177.300 0.495 0.000 1.216 393 P CA 0.040 63.399 63.100 0.431 0.000 0.771 393 P CB 0.582 32.467 31.700 0.307 0.000 0.864 394 N N 0.878 119.884 118.700 0.509 0.000 2.434 394 N HA 0.058 4.812 4.740 0.024 0.000 0.266 394 N C 0.224 175.993 175.510 0.432 0.000 1.223 394 N CA -0.487 52.766 53.050 0.339 0.000 0.972 394 N CB 0.322 38.769 38.487 -0.066 0.000 1.207 394 N HN 0.605 nan 8.380 nan 0.000 0.525 395 H N 2.173 121.354 119.070 0.184 0.000 3.064 395 H HA -0.004 4.567 4.556 0.024 0.000 0.329 395 H C -1.731 173.781 175.328 0.307 0.000 1.020 395 H CA -0.908 55.240 56.048 0.166 0.000 1.402 395 H CB 0.872 30.689 29.762 0.091 0.000 1.379 395 H HN 0.419 nan 8.280 nan 0.000 0.594 396 P HA -0.194 nan 4.420 nan 0.000 0.218 396 P C 1.869 179.523 177.300 0.589 0.000 1.148 396 P CA 0.755 64.173 63.100 0.530 0.000 0.822 396 P CB 0.178 32.019 31.700 0.236 0.000 0.784 397 L N -1.116 120.512 121.223 0.675 0.000 2.201 397 L HA -0.053 4.301 4.340 0.024 0.000 0.212 397 L C 2.318 179.326 176.870 0.229 0.000 1.105 397 L CA 1.426 56.472 54.840 0.344 0.000 0.775 397 L CB -1.305 40.855 42.059 0.168 0.000 0.913 397 L HN 0.019 nan 8.230 nan 0.000 0.440 398 W N -0.294 121.006 121.300 0.000 0.000 2.318 398 W HA -0.349 4.325 4.660 0.024 0.000 0.313 398 W C 2.059 178.411 176.519 -0.278 0.000 1.221 398 W CA 2.178 59.396 57.345 -0.213 0.000 1.266 398 W CB -0.442 28.801 29.460 -0.362 0.000 1.150 398 W HN 0.291 nan 8.180 nan 0.000 0.496 399 Y N 0.422 120.643 120.300 -0.133 0.000 2.242 399 Y HA -0.180 4.385 4.550 0.024 0.000 0.291 399 Y C 2.869 178.540 175.900 -0.381 0.000 1.137 399 Y CA 1.996 59.818 58.100 -0.463 0.000 1.181 399 Y CB -1.286 36.602 38.460 -0.952 0.000 0.989 399 Y HN -0.231 nan 8.280 nan 0.000 0.527 400 T N 0.666 115.222 114.554 0.004 0.000 2.746 400 T HA -0.150 4.214 4.350 0.024 0.000 0.267 400 T C 1.940 176.670 174.700 0.050 0.000 1.039 400 T CA 1.364 63.543 62.100 0.132 0.000 1.142 400 T CB -0.480 68.522 68.868 0.224 0.000 0.866 400 T HN 0.234 nan 8.240 nan 0.000 0.444 401 L N 0.179 121.380 121.223 -0.036 0.000 2.056 401 L HA -0.071 4.284 4.340 0.024 0.000 0.207 401 L C 2.865 179.708 176.870 -0.046 0.000 1.078 401 L CA 0.862 55.703 54.840 0.001 0.000 0.749 401 L CB -0.700 41.322 42.059 -0.063 0.000 0.901 401 L HN 0.355 nan 8.230 nan 0.000 0.433 402 C N -0.158 118.947 119.300 -0.324 0.000 2.425 402 C HA -0.140 4.335 4.460 0.024 0.000 0.277 402 C C 2.415 177.448 174.990 0.072 0.000 1.280 402 C CA 0.369 59.239 59.018 -0.246 0.000 1.744 402 C CB -0.812 26.678 27.740 -0.416 0.000 1.989 402 C HN 0.537 nan 8.230 nan 0.000 0.491 403 D N 0.546 120.992 120.400 0.077 0.000 2.104 403 D HA -0.106 4.549 4.640 0.024 0.000 0.194 403 D C 2.402 178.907 176.300 0.342 0.000 0.994 403 D CA 1.275 55.405 54.000 0.216 0.000 0.830 403 D CB -0.326 40.562 40.800 0.146 0.000 0.959 403 D HN 0.537 nan 8.370 nan 0.000 0.452 404 R N -1.105 119.483 120.500 0.145 0.000 2.100 404 R HA 0.030 4.385 4.340 0.024 0.000 0.220 404 R C 2.133 178.365 176.300 -0.113 0.000 1.091 404 R CA 0.478 56.587 56.100 0.016 0.000 0.986 404 R CB -0.154 30.081 30.300 -0.107 0.000 0.888 404 R HN 0.269 nan 8.270 nan 0.000 0.444 405 Y N 0.090 120.395 120.300 0.008 0.000 2.475 405 Y HA 0.163 4.727 4.550 0.024 0.000 0.289 405 Y C 0.940 176.768 175.900 -0.120 0.000 1.121 405 Y CA 0.786 58.867 58.100 -0.033 0.000 1.257 405 Y CB 0.699 39.108 38.460 -0.085 0.000 1.026 405 Y HN 0.233 nan 8.280 nan 0.000 0.555 406 G N 1.161 109.991 108.800 0.050 0.000 2.897 406 G HA2 -0.143 3.832 3.960 0.024 0.000 0.436 406 G HA3 -0.143 3.832 3.960 0.024 0.000 0.436 406 G C -1.235 173.523 174.900 -0.237 0.000 1.079 406 G CA -0.548 44.471 45.100 -0.135 0.000 1.090 406 G HN 0.174 nan 8.290 nan 0.000 0.480 407 L N 1.112 122.266 121.223 -0.115 0.000 2.445 407 L HA 0.536 4.891 4.340 0.024 0.000 0.262 407 L C -0.155 176.729 176.870 0.024 0.000 0.974 407 L CA -1.305 53.429 54.840 -0.177 0.000 0.822 407 L CB 1.964 43.943 42.059 -0.133 0.000 1.339 407 L HN 0.458 nan 8.230 nan 0.000 0.409 408 Y N 1.636 122.075 120.300 0.232 0.000 2.335 408 Y HA 0.455 5.021 4.550 0.027 0.000 0.331 408 Y C 0.145 176.179 175.900 0.223 0.000 1.094 408 Y CA -0.737 57.531 58.100 0.280 0.000 1.253 408 Y CB 1.351 39.953 38.460 0.236 0.000 1.203 408 Y HN 0.159 nan 8.280 nan 0.000 0.508 409 V N 4.436 124.537 119.914 0.313 0.000 2.628 409 V HA 0.373 4.508 4.120 0.024 0.000 0.306 409 V C -0.576 175.602 176.094 0.141 0.000 1.045 409 V CA -1.010 61.418 62.300 0.213 0.000 0.905 409 V CB 2.050 33.962 31.823 0.148 0.000 0.997 409 V HN 0.451 nan 8.190 nan 0.000 0.436 410 V N 2.900 122.864 119.914 0.084 0.000 2.347 410 V HA 0.346 4.481 4.120 0.024 0.000 0.280 410 V C -0.422 175.708 176.094 0.060 0.000 1.021 410 V CA -0.449 61.853 62.300 0.002 0.000 0.847 410 V CB 1.538 33.264 31.823 -0.162 0.000 0.990 410 V HN 0.875 nan 8.190 nan 0.000 0.444 411 D N 4.065 124.538 120.400 0.122 0.000 2.280 411 D HA 0.295 4.949 4.640 0.024 0.000 0.243 411 D C -0.200 176.291 176.300 0.319 0.000 1.129 411 D CA -0.029 54.139 54.000 0.280 0.000 0.848 411 D CB 1.213 42.226 40.800 0.355 0.000 1.107 411 D HN 0.685 nan 8.370 nan 0.000 0.471 412 E N 2.019 122.372 120.200 0.254 0.000 2.176 412 E HA 0.600 4.965 4.350 0.024 0.000 0.267 412 E C -0.921 175.822 176.600 0.238 0.000 0.893 412 E CA -1.037 55.500 56.400 0.229 0.000 0.761 412 E CB 1.224 31.014 29.700 0.151 0.000 1.133 412 E HN 0.468 nan 8.360 nan 0.000 0.409 413 A N 4.134 127.088 122.820 0.223 0.000 2.520 413 A HA 0.013 4.347 4.320 0.024 0.000 0.235 413 A C 0.358 178.072 177.584 0.217 0.000 1.065 413 A CA -0.159 51.987 52.037 0.182 0.000 0.764 413 A CB 0.098 19.171 19.000 0.121 0.000 1.002 413 A HN 0.719 nan 8.150 nan 0.000 0.502 414 N N 1.357 120.191 118.700 0.224 0.000 2.971 414 N HA 0.252 5.007 4.740 0.024 0.000 0.294 414 N C -1.015 174.630 175.510 0.225 0.000 1.210 414 N CA 0.267 53.485 53.050 0.280 0.000 1.157 414 N CB -0.844 37.800 38.487 0.263 0.000 1.450 414 N HN 0.477 nan 8.380 nan 0.000 0.527 415 I N 1.118 121.817 120.570 0.215 0.000 2.497 415 I HA 0.268 4.453 4.170 0.024 0.000 0.284 415 I C -0.603 175.621 176.117 0.178 0.000 1.060 415 I CA -0.645 60.761 61.300 0.177 0.000 1.071 415 I CB 1.797 39.875 38.000 0.130 0.000 1.216 415 I HN 0.257 nan 8.210 nan 0.000 0.442 416 E N 4.363 124.658 120.200 0.158 0.000 2.287 416 E HA 0.405 4.770 4.350 0.024 0.000 0.274 416 E C -0.674 175.976 176.600 0.084 0.000 0.896 416 E CA -0.514 55.947 56.400 0.102 0.000 0.788 416 E CB 1.662 31.394 29.700 0.053 0.000 1.244 416 E HN 0.588 nan 8.360 nan 0.000 0.408 417 T N 0.772 115.362 114.554 0.060 0.000 3.533 417 T HA 0.196 4.561 4.350 0.024 0.000 0.275 417 T C 0.803 175.494 174.700 -0.016 0.000 1.000 417 T CA -0.425 61.724 62.100 0.083 0.000 1.015 417 T CB 0.431 69.342 68.868 0.073 0.000 1.153 417 T HN 0.568 nan 8.240 nan 0.000 0.504 418 E N 1.371 121.496 120.200 -0.124 0.000 2.171 418 E HA -0.104 4.260 4.350 0.024 0.000 0.197 418 E C 2.105 178.588 176.600 -0.195 0.000 0.997 418 E CA 1.390 57.691 56.400 -0.165 0.000 0.810 418 E CB -0.633 28.934 29.700 -0.221 0.000 0.738 418 E HN 0.732 nan 8.360 nan 0.000 0.467 419 G N 0.417 109.008 108.800 -0.347 0.000 2.625 419 G HA2 -0.110 3.865 3.960 0.024 0.000 0.214 419 G HA3 -0.110 3.865 3.960 0.024 0.000 0.214 419 G C 0.715 175.686 174.900 0.118 0.000 1.132 419 G CA -0.041 44.907 45.100 -0.254 0.000 0.782 419 G HN 0.081 nan 8.290 nan 0.000 0.538 420 M N 0.210 119.909 119.600 0.165 0.000 2.226 420 M HA 0.363 4.858 4.480 0.024 0.000 0.324 420 M C -0.304 176.004 176.300 0.012 0.000 1.112 420 M CA -0.614 54.750 55.300 0.106 0.000 1.176 420 M CB 1.393 34.009 32.600 0.026 0.000 1.430 420 M HN -0.205 nan 8.290 nan 0.000 0.462 421 V N 3.832 123.740 119.914 -0.010 0.000 2.482 421 V HA 0.393 4.528 4.120 0.024 0.000 0.295 421 V C -1.945 174.128 176.094 -0.035 0.000 1.026 421 V CA -1.306 60.977 62.300 -0.029 0.000 0.856 421 V CB 1.791 33.596 31.823 -0.030 0.000 1.001 421 V HN 0.747 nan 8.190 nan 0.000 0.424 422 P HA 0.237 nan 4.420 nan 0.000 0.277 422 P C 1.081 178.363 177.300 -0.029 0.000 1.276 422 P CA -0.470 62.611 63.100 -0.032 0.000 0.788 422 P CB 0.983 32.669 31.700 -0.023 0.000 1.114 423 M N 0.479 120.065 119.600 -0.023 0.000 2.144 423 M HA -0.188 4.307 4.480 0.024 0.000 0.260 423 M C 1.157 177.467 176.300 0.016 0.000 1.067 423 M CA 2.061 57.355 55.300 -0.010 0.000 1.095 423 M CB -0.534 32.056 32.600 -0.017 0.000 1.365 423 M HN 0.402 nan 8.290 nan 0.000 0.406 424 N N -0.119 118.596 118.700 0.026 0.000 2.322 424 N HA -0.046 4.708 4.740 0.024 0.000 0.216 424 N C 1.016 176.501 175.510 -0.042 0.000 1.144 424 N CA 0.093 53.161 53.050 0.030 0.000 0.830 424 N CB -0.718 37.808 38.487 0.064 0.000 1.034 424 N HN 0.347 nan 8.380 nan 0.000 0.484 425 R N 0.364 120.820 120.500 -0.073 0.000 2.103 425 R HA -0.045 4.310 4.340 0.024 0.000 0.242 425 R C 1.367 177.559 176.300 -0.180 0.000 1.142 425 R CA 1.480 57.513 56.100 -0.111 0.000 0.960 425 R CB -0.030 30.199 30.300 -0.119 0.000 0.858 425 R HN 0.311 nan 8.270 nan 0.000 0.439 426 L N -0.797 120.259 121.223 -0.278 0.000 2.145 426 L HA -0.014 4.341 4.340 0.024 0.000 0.201 426 L C 2.596 179.326 176.870 -0.233 0.000 1.075 426 L CA 1.331 55.893 54.840 -0.463 0.000 0.773 426 L CB -0.767 40.746 42.059 -0.910 0.000 0.936 426 L HN 0.336 nan 8.230 nan 0.000 0.451 427 T N -3.839 110.606 114.554 -0.182 0.000 2.929 427 T HA -0.196 4.168 4.350 0.024 0.000 0.271 427 T C 1.356 175.957 174.700 -0.166 0.000 1.085 427 T CA 1.488 63.461 62.100 -0.212 0.000 1.125 427 T CB -0.289 68.400 68.868 -0.298 0.000 0.874 427 T HN 0.137 nan 8.240 nan 0.000 0.494 428 D N 1.096 121.437 120.400 -0.099 0.000 2.350 428 D HA 0.089 4.744 4.640 0.024 0.000 0.213 428 D C -0.064 176.211 176.300 -0.042 0.000 1.031 428 D CA -0.126 53.829 54.000 -0.075 0.000 0.861 428 D CB -0.148 40.617 40.800 -0.059 0.000 0.926 428 D HN 0.341 nan 8.370 nan 0.000 0.520 429 D N -0.032 120.356 120.400 -0.019 0.000 2.313 429 D HA 0.090 4.745 4.640 0.024 0.000 0.239 429 D C -1.663 174.682 176.300 0.075 0.000 1.142 429 D CA -2.131 51.896 54.000 0.045 0.000 0.847 429 D CB 1.890 42.756 40.800 0.111 0.000 1.082 429 D HN -0.009 nan 8.370 nan 0.000 0.480 430 P HA -0.095 nan 4.420 nan 0.000 0.222 430 P C 0.874 178.177 177.300 0.005 0.000 1.147 430 P CA 0.726 63.834 63.100 0.013 0.000 0.790 430 P CB 0.263 31.960 31.700 -0.005 0.000 0.780 431 R N -1.938 118.576 120.500 0.023 0.000 2.280 431 R HA -0.035 4.320 4.340 0.024 0.000 0.207 431 R C 1.338 177.523 176.300 -0.192 0.000 1.043 431 R CA 0.908 56.960 56.100 -0.080 0.000 1.006 431 R CB -0.487 29.754 30.300 -0.099 0.000 0.885 431 R HN 0.317 nan 8.270 nan 0.000 0.467 432 W N -0.164 121.081 121.300 -0.092 0.000 3.220 432 W HA 0.144 4.818 4.660 0.023 0.000 0.328 432 W C 1.446 177.905 176.519 -0.100 0.000 1.205 432 W CA -0.533 56.756 57.345 -0.094 0.000 1.773 432 W CB 0.127 29.528 29.460 -0.098 0.000 1.086 432 W HN -0.007 nan 8.180 nan 0.000 0.622 433 L N 2.261 123.511 121.223 0.046 0.000 2.046 433 L HA -0.038 4.317 4.340 0.024 0.000 0.208 433 L C -0.724 176.111 176.870 -0.058 0.000 1.077 433 L CA 2.265 57.095 54.840 -0.017 0.000 0.747 433 L CB -1.714 40.326 42.059 -0.033 0.000 0.896 433 L HN -0.226 nan 8.230 nan 0.000 0.432 434 P HA -0.132 nan 4.420 nan 0.000 0.214 434 P C 1.673 178.915 177.300 -0.096 0.000 1.162 434 P CA 2.198 65.235 63.100 -0.106 0.000 0.879 434 P CB -0.254 31.375 31.700 -0.119 0.000 0.786 435 A N -0.890 121.883 122.820 -0.079 0.000 1.908 435 A HA -0.225 4.110 4.320 0.024 0.000 0.218 435 A C 2.266 179.858 177.584 0.014 0.000 1.181 435 A CA 2.167 54.188 52.037 -0.027 0.000 0.627 435 A CB -1.541 17.455 19.000 -0.007 0.000 0.818 435 A HN 0.113 nan 8.150 nan 0.000 0.445 436 M N -0.072 119.547 119.600 0.031 0.000 2.156 436 M HA -0.126 4.368 4.480 0.024 0.000 0.264 436 M C 2.547 178.797 176.300 -0.083 0.000 1.067 436 M CA 1.693 56.994 55.300 0.002 0.000 1.131 436 M CB -0.325 32.260 32.600 -0.026 0.000 1.368 436 M HN 0.663 nan 8.290 nan 0.000 0.416 437 S N 0.183 115.805 115.700 -0.129 0.000 2.399 437 S HA -0.157 4.328 4.470 0.024 0.000 0.231 437 S C 1.572 176.002 174.600 -0.283 0.000 1.022 437 S CA 1.304 59.361 58.200 -0.238 0.000 0.983 437 S CB -0.463 62.573 63.200 -0.274 0.000 0.803 437 S HN 0.501 nan 8.310 nan 0.000 0.480 438 E N 0.814 120.898 120.200 -0.193 0.000 2.153 438 E HA -0.067 4.298 4.350 0.024 0.000 0.194 438 E C 2.380 178.893 176.600 -0.144 0.000 0.988 438 E CA 0.828 57.122 56.400 -0.176 0.000 0.811 438 E CB -0.076 29.558 29.700 -0.110 0.000 0.746 438 E HN 0.558 nan 8.360 nan 0.000 0.466 439 R N -0.167 120.279 120.500 -0.091 0.000 2.148 439 R HA -0.064 4.291 4.340 0.024 0.000 0.223 439 R C 2.146 178.408 176.300 -0.062 0.000 1.088 439 R CA 0.620 56.700 56.100 -0.033 0.000 0.985 439 R CB 0.151 30.472 30.300 0.036 0.000 0.880 439 R HN 0.025 nan 8.270 nan 0.000 0.451 440 V N -0.098 119.731 119.914 -0.142 0.000 2.341 440 V HA -0.172 3.963 4.120 0.024 0.000 0.240 440 V C 2.451 178.353 176.094 -0.319 0.000 1.035 440 V CA 2.057 64.246 62.300 -0.185 0.000 1.033 440 V CB -0.416 31.289 31.823 -0.197 0.000 0.678 440 V HN 0.491 nan 8.190 nan 0.000 0.464 441 T N -0.331 113.898 114.554 -0.541 0.000 2.720 441 T HA -0.279 4.086 4.350 0.024 0.000 0.268 441 T C 1.920 176.450 174.700 -0.284 0.000 1.037 441 T CA 1.677 63.375 62.100 -0.670 0.000 1.144 441 T CB -0.471 67.812 68.868 -0.974 0.000 0.864 441 T HN 0.400 nan 8.240 nan 0.000 0.444 442 R N 0.233 120.598 120.500 -0.225 0.000 2.148 442 R HA 0.190 4.545 4.340 0.024 0.000 0.227 442 R C 2.641 178.858 176.300 -0.137 0.000 1.103 442 R CA 1.350 57.354 56.100 -0.161 0.000 0.983 442 R CB -0.458 29.757 30.300 -0.143 0.000 0.874 442 R HN 0.496 nan 8.270 nan 0.000 0.451 443 M N 0.526 120.053 119.600 -0.121 0.000 2.099 443 M HA -0.134 4.361 4.480 0.024 0.000 0.262 443 M C 1.862 178.090 176.300 -0.120 0.000 1.067 443 M CA 1.605 56.864 55.300 -0.068 0.000 1.124 443 M CB 0.123 32.725 32.600 0.003 0.000 1.353 443 M HN -0.021 nan 8.290 nan 0.000 0.410 444 V N 1.041 120.778 119.914 -0.294 0.000 2.343 444 V HA -0.289 3.846 4.120 0.024 0.000 0.247 444 V C 2.275 178.257 176.094 -0.186 0.000 1.051 444 V CA 1.975 63.972 62.300 -0.504 0.000 1.036 444 V CB -0.923 30.586 31.823 -0.522 0.000 0.654 444 V HN 0.587 nan 8.190 nan 0.000 0.451 445 Q N -0.637 119.087 119.800 -0.127 0.000 2.170 445 Q HA -0.209 4.146 4.340 0.024 0.000 0.203 445 Q C 2.450 178.360 176.000 -0.150 0.000 0.976 445 Q CA 1.433 57.168 55.803 -0.113 0.000 0.858 445 Q CB -0.153 28.535 28.738 -0.083 0.000 0.907 445 Q HN 0.542 nan 8.270 nan 0.000 0.433 446 R N 0.248 120.655 120.500 -0.155 0.000 2.112 446 R HA -0.067 4.287 4.340 0.024 0.000 0.216 446 R C 0.511 176.740 176.300 -0.118 0.000 1.080 446 R CA 1.038 57.025 56.100 -0.189 0.000 0.996 446 R CB 0.478 30.663 30.300 -0.192 0.000 0.902 446 R HN 0.105 nan 8.270 nan 0.000 0.449 447 D N 0.089 120.477 120.400 -0.019 0.000 2.369 447 D HA -0.002 4.652 4.640 0.024 0.000 0.211 447 D C 1.428 177.840 176.300 0.187 0.000 1.077 447 D CA 0.123 54.161 54.000 0.064 0.000 0.842 447 D CB 0.282 41.079 40.800 -0.005 0.000 0.947 447 D HN 0.349 nan 8.370 nan 0.000 0.509 448 R N 0.624 121.243 120.500 0.200 0.000 2.200 448 R HA -0.029 4.326 4.340 0.024 0.000 0.234 448 R C 0.857 177.167 176.300 0.017 0.000 1.127 448 R CA 0.946 57.180 56.100 0.223 0.000 0.989 448 R CB -0.341 30.025 30.300 0.110 0.000 0.869 448 R HN -0.063 nan 8.270 nan 0.000 0.459 449 N N 0.424 119.057 118.700 -0.110 0.000 2.398 449 N HA -0.009 4.746 4.740 0.024 0.000 0.188 449 N C -0.486 174.892 175.510 -0.220 0.000 1.122 449 N CA 0.333 53.286 53.050 -0.162 0.000 0.866 449 N CB 0.051 38.429 38.487 -0.182 0.000 0.970 449 N HN 0.330 nan 8.380 nan 0.000 0.462 450 H N 1.015 120.034 119.070 -0.086 0.000 2.620 450 H HA 0.117 4.687 4.556 0.024 0.000 0.313 450 H C -1.232 173.952 175.328 -0.240 0.000 1.075 450 H CA -1.294 54.682 56.048 -0.120 0.000 1.397 450 H CB 1.715 31.445 29.762 -0.054 0.000 1.446 450 H HN 0.046 nan 8.280 nan 0.000 0.493 451 P HA -0.131 nan 4.420 nan 0.000 0.222 451 P C 1.435 178.236 177.300 -0.830 0.000 1.153 451 P CA 0.921 63.664 63.100 -0.594 0.000 0.798 451 P CB 0.329 31.482 31.700 -0.912 0.000 0.796 452 S N -0.400 114.923 115.700 -0.629 0.000 2.399 452 S HA -0.055 4.430 4.470 0.024 0.000 0.231 452 S C 1.139 175.708 174.600 -0.052 0.000 1.022 452 S CA 0.448 58.472 58.200 -0.294 0.000 0.983 452 S CB -1.627 61.559 63.200 -0.024 0.000 0.803 452 S HN -0.058 nan 8.310 nan 0.000 0.480 453 V N 3.777 123.639 119.914 -0.087 0.000 2.421 453 V HA 0.178 4.312 4.120 0.024 0.000 0.271 453 V C 1.088 177.048 176.094 -0.223 0.000 1.031 453 V CA 0.221 62.437 62.300 -0.140 0.000 1.032 453 V CB 0.026 31.678 31.823 -0.284 0.000 1.009 453 V HN 0.651 nan 8.190 nan 0.000 0.477 454 I N 2.531 123.028 120.570 -0.122 0.000 4.139 454 I HA 0.527 4.712 4.170 0.024 0.000 0.335 454 I C 0.344 176.346 176.117 -0.193 0.000 1.327 454 I CA 0.464 61.695 61.300 -0.115 0.000 1.112 454 I CB 0.427 38.453 38.000 0.043 0.000 1.058 454 I HN 0.324 nan 8.210 nan 0.000 0.396 455 I N 0.165 120.586 120.570 -0.248 0.000 2.692 455 I HA 0.343 4.527 4.170 0.024 0.000 0.293 455 I C -1.609 174.400 176.117 -0.181 0.000 1.200 455 I CA -0.352 60.848 61.300 -0.167 0.000 1.036 455 I CB 2.092 40.091 38.000 -0.001 0.000 1.258 455 I HN 0.022 nan 8.210 nan 0.000 0.421 456 W N 3.993 125.342 121.300 0.082 0.000 2.496 456 W HA 0.644 5.317 4.660 0.021 0.000 0.327 456 W C 0.378 176.962 176.519 0.109 0.000 1.086 456 W CA -0.621 56.779 57.345 0.091 0.000 1.222 456 W CB 1.744 31.253 29.460 0.081 0.000 1.304 456 W HN 0.311 nan 8.180 nan 0.000 0.547 457 S N 2.513 118.453 115.700 0.401 0.000 2.500 457 S HA 0.401 4.885 4.470 0.024 0.000 0.301 457 S C 0.212 174.989 174.600 0.295 0.000 1.092 457 S CA -0.699 57.682 58.200 0.302 0.000 1.030 457 S CB 0.847 64.175 63.200 0.213 0.000 1.031 457 S HN 0.572 nan 8.310 nan 0.000 0.483 458 L N 4.075 125.475 121.223 0.295 0.000 2.610 458 L HA 0.354 4.708 4.340 0.024 0.000 0.232 458 L C 1.441 178.404 176.870 0.156 0.000 1.149 458 L CA 0.582 55.523 54.840 0.168 0.000 0.872 458 L CB -1.040 41.022 42.059 0.005 0.000 0.992 458 L HN 0.997 nan 8.230 nan 0.000 0.447 459 G N -0.153 108.821 108.800 0.289 0.000 2.265 459 G HA2 -0.121 3.854 3.960 0.024 0.000 0.246 459 G HA3 -0.121 3.854 3.960 0.024 0.000 0.246 459 G C -1.657 173.455 174.900 0.353 0.000 1.299 459 G CA -0.541 44.730 45.100 0.285 0.000 1.117 459 G HN 0.148 nan 8.290 nan 0.000 0.485 460 N N 0.363 119.220 118.700 0.261 0.000 2.367 460 N HA 0.466 5.221 4.740 0.024 0.000 0.278 460 N C -0.512 175.014 175.510 0.027 0.000 1.117 460 N CA 0.093 53.166 53.050 0.038 0.000 0.867 460 N CB 1.617 39.839 38.487 -0.442 0.000 1.649 460 N HN 0.852 nan 8.380 nan 0.000 0.479 461 E N 0.827 120.991 120.200 -0.060 0.000 2.202 461 E HA -0.179 4.186 4.350 0.024 0.000 0.169 461 E C -0.793 175.829 176.600 0.037 0.000 1.536 461 E CA 0.773 57.131 56.400 -0.071 0.000 0.664 461 E CB -1.290 28.306 29.700 -0.173 0.000 1.064 461 E HN 0.448 nan 8.360 nan 0.000 0.327 462 S N -0.035 115.786 115.700 0.203 0.000 2.952 462 S HA 0.395 4.880 4.470 0.024 0.000 0.251 462 S C 0.658 175.451 174.600 0.323 0.000 1.021 462 S CA -0.126 58.227 58.200 0.255 0.000 1.067 462 S CB 1.447 64.831 63.200 0.307 0.000 1.002 462 S HN 0.873 nan 8.310 nan 0.000 0.574 463 G N 2.016 110.951 108.800 0.225 0.000 2.601 463 G HA2 -0.256 3.718 3.960 0.024 0.000 0.252 463 G HA3 -0.256 3.718 3.960 0.024 0.000 0.252 463 G C -0.526 174.603 174.900 0.381 0.000 1.294 463 G CA -0.070 45.157 45.100 0.211 0.000 0.912 463 G HN 0.657 nan 8.290 nan 0.000 0.574 464 H N 0.342 119.546 119.070 0.224 0.000 2.924 464 H HA 0.576 5.146 4.556 0.024 0.000 0.333 464 H C 0.303 175.813 175.328 0.304 0.000 0.979 464 H CA -0.047 56.171 56.048 0.283 0.000 1.326 464 H CB 0.771 30.631 29.762 0.163 0.000 1.600 464 H HN 1.123 nan 8.280 nan 0.000 0.520 465 G N 1.377 110.296 108.800 0.198 0.000 2.788 465 G HA2 0.460 4.435 3.960 0.024 0.000 0.293 465 G HA3 0.460 4.435 3.960 0.024 0.000 0.293 465 G C 0.557 175.328 174.900 -0.214 0.000 1.305 465 G CA -0.176 44.846 45.100 -0.129 0.000 1.005 465 G HN 0.657 nan 8.290 nan 0.000 0.496 466 A N -0.095 122.631 122.820 -0.157 0.000 2.019 466 A HA -0.069 4.266 4.320 0.024 0.000 0.219 466 A C 2.091 179.649 177.584 -0.045 0.000 1.164 466 A CA 1.836 53.823 52.037 -0.084 0.000 0.644 466 A CB -0.434 18.537 19.000 -0.047 0.000 0.805 466 A HN 0.510 nan 8.150 nan 0.000 0.449 467 N N -0.218 118.417 118.700 -0.107 0.000 2.223 467 N HA -0.131 4.624 4.740 0.024 0.000 0.185 467 N C 1.366 176.818 175.510 -0.096 0.000 1.016 467 N CA 1.660 54.636 53.050 -0.123 0.000 0.863 467 N CB -0.653 37.718 38.487 -0.193 0.000 0.983 467 N HN 0.781 nan 8.380 nan 0.000 0.429 468 H N 0.093 119.148 119.070 -0.026 0.000 2.389 468 H HA 0.004 4.574 4.556 0.024 0.000 0.299 468 H C 1.163 176.563 175.328 0.120 0.000 1.081 468 H CA 1.050 57.094 56.048 -0.007 0.000 1.345 468 H CB 0.230 29.997 29.762 0.009 0.000 1.393 468 H HN 0.177 nan 8.280 nan 0.000 0.520 469 D N 0.307 120.868 120.400 0.268 0.000 2.117 469 D HA -0.093 4.562 4.640 0.024 0.000 0.198 469 D C 2.311 178.764 176.300 0.255 0.000 0.982 469 D CA 1.068 55.220 54.000 0.254 0.000 0.828 469 D CB -0.305 40.606 40.800 0.185 0.000 0.967 469 D HN 0.406 nan 8.370 nan 0.000 0.464 470 A N 0.996 123.917 122.820 0.168 0.000 1.883 470 A HA -0.138 4.197 4.320 0.024 0.000 0.217 470 A C 2.411 180.111 177.584 0.194 0.000 1.186 470 A CA 1.006 53.133 52.037 0.150 0.000 0.624 470 A CB -0.825 18.219 19.000 0.074 0.000 0.822 470 A HN 0.202 nan 8.150 nan 0.000 0.444 471 L N -2.089 119.230 121.223 0.161 0.000 2.141 471 L HA -0.164 4.191 4.340 0.024 0.000 0.209 471 L C 2.590 179.609 176.870 0.248 0.000 1.094 471 L CA 1.612 56.548 54.840 0.159 0.000 0.763 471 L CB -0.672 41.408 42.059 0.036 0.000 0.908 471 L HN 0.632 nan 8.230 nan 0.000 0.437 472 Y N 1.289 121.681 120.300 0.153 0.000 2.145 472 Y HA -0.319 4.241 4.550 0.017 0.000 0.286 472 Y C 2.809 178.796 175.900 0.146 0.000 1.145 472 Y CA 1.837 60.028 58.100 0.152 0.000 1.148 472 Y CB -0.129 38.421 38.460 0.150 0.000 0.981 472 Y HN -0.025 nan 8.280 nan 0.000 0.507 473 R N -0.273 120.369 120.500 0.237 0.000 2.115 473 R HA -0.168 4.187 4.340 0.024 0.000 0.226 473 R C 2.019 178.343 176.300 0.040 0.000 1.100 473 R CA 1.690 57.846 56.100 0.094 0.000 0.980 473 R CB -1.329 29.097 30.300 0.210 0.000 0.875 473 R HN 0.635 nan 8.270 nan 0.000 0.445 474 W N 0.472 121.740 121.300 -0.054 0.000 2.338 474 W HA -0.132 4.544 4.660 0.026 0.000 0.304 474 W C 1.461 177.893 176.519 -0.146 0.000 1.212 474 W CA 1.879 59.174 57.345 -0.083 0.000 1.264 474 W CB -0.173 29.241 29.460 -0.077 0.000 1.142 474 W HN 0.081 nan 8.180 nan 0.000 0.512 475 I N 0.942 121.518 120.570 0.011 0.000 2.142 475 I HA -0.357 3.828 4.170 0.024 0.000 0.240 475 I C 2.490 178.404 176.117 -0.337 0.000 1.078 475 I CA 1.453 62.602 61.300 -0.251 0.000 1.343 475 I CB -0.766 37.141 38.000 -0.155 0.000 1.046 475 I HN -0.152 nan 8.210 nan 0.000 0.405 476 K N 0.412 120.623 120.400 -0.314 0.000 2.160 476 K HA -0.198 4.137 4.320 0.024 0.000 0.206 476 K C 2.252 178.716 176.600 -0.228 0.000 1.047 476 K CA 1.713 57.844 56.287 -0.260 0.000 0.930 476 K CB -0.622 31.690 32.500 -0.314 0.000 0.720 476 K HN 0.327 nan 8.250 nan 0.000 0.450 477 S N 0.969 116.497 115.700 -0.287 0.000 2.395 477 S HA -0.079 4.406 4.470 0.024 0.000 0.225 477 S C 2.020 176.391 174.600 -0.383 0.000 1.027 477 S CA 1.093 59.123 58.200 -0.284 0.000 0.965 477 S CB -0.097 62.945 63.200 -0.264 0.000 0.812 477 S HN 0.179 nan 8.310 nan 0.000 0.482 478 V N -0.941 118.595 119.914 -0.630 0.000 3.052 478 V HA 0.314 4.449 4.120 0.024 0.000 0.254 478 V C 0.295 176.160 176.094 -0.382 0.000 1.100 478 V CA 1.268 63.201 62.300 -0.611 0.000 1.112 478 V CB -0.348 30.868 31.823 -1.011 0.000 0.738 478 V HN 0.451 nan 8.190 nan 0.000 0.469 479 D N 0.583 120.805 120.400 -0.297 0.000 2.472 479 D HA 0.366 5.021 4.640 0.024 0.000 0.248 479 D C -2.010 174.287 176.300 -0.006 0.000 1.271 479 D CA -1.664 52.276 54.000 -0.100 0.000 0.888 479 D CB 1.624 42.436 40.800 0.021 0.000 1.337 479 D HN 0.162 nan 8.370 nan 0.000 0.526 480 P HA -0.100 nan 4.420 nan 0.000 0.228 480 P C 1.278 178.599 177.300 0.034 0.000 1.151 480 P CA 0.603 63.698 63.100 -0.009 0.000 0.770 480 P CB 0.098 31.787 31.700 -0.019 0.000 0.786 481 S N -1.182 114.546 115.700 0.048 0.000 2.474 481 S HA -0.040 4.445 4.470 0.024 0.000 0.235 481 S C 0.946 175.574 174.600 0.047 0.000 0.997 481 S CA 0.145 58.378 58.200 0.055 0.000 0.949 481 S CB -0.494 62.733 63.200 0.045 0.000 0.766 481 S HN 0.119 nan 8.310 nan 0.000 0.517 482 R N 1.038 121.577 120.500 0.066 0.000 2.686 482 R HA 0.550 4.905 4.340 0.024 0.000 0.283 482 R C -3.185 173.157 176.300 0.071 0.000 0.978 482 R CA -2.365 53.736 56.100 0.002 0.000 0.897 482 R CB 1.486 31.661 30.300 -0.209 0.000 1.192 482 R HN 0.144 nan 8.270 nan 0.000 0.457 483 P HA 0.069 nan 4.420 nan 0.000 0.272 483 P C -0.757 176.641 177.300 0.163 0.000 1.230 483 P CA -0.369 62.787 63.100 0.094 0.000 0.788 483 P CB 0.626 32.368 31.700 0.071 0.000 0.949 484 V N 2.228 122.262 119.914 0.201 0.000 2.459 484 V HA 0.392 4.526 4.120 0.024 0.000 0.295 484 V C 0.301 176.575 176.094 0.301 0.000 1.029 484 V CA -0.277 62.189 62.300 0.278 0.000 0.874 484 V CB 0.955 32.897 31.823 0.198 0.000 0.985 484 V HN 0.608 nan 8.190 nan 0.000 0.438 485 Q N 3.876 123.840 119.800 0.273 0.000 2.458 485 Q HA 0.820 5.175 4.340 0.024 0.000 0.282 485 Q C -1.802 174.366 176.000 0.281 0.000 1.106 485 Q CA -0.964 54.971 55.803 0.220 0.000 0.814 485 Q CB 3.009 31.820 28.738 0.121 0.000 1.425 485 Q HN 0.635 nan 8.270 nan 0.000 0.437 486 Y N -0.134 120.187 120.300 0.035 0.000 2.409 486 Y HA 0.139 4.702 4.550 0.022 0.000 0.321 486 Y C -0.652 175.201 175.900 -0.078 0.000 1.209 486 Y CA -0.690 57.399 58.100 -0.019 0.000 1.086 486 Y CB 2.009 40.449 38.460 -0.034 0.000 1.320 486 Y HN 0.944 nan 8.280 nan 0.000 0.440 487 E N 3.322 123.038 120.200 -0.808 0.000 2.400 487 E HA 0.154 4.519 4.350 0.024 0.000 0.195 487 E C 0.637 176.811 176.600 -0.710 0.000 1.012 487 E CA 0.674 56.718 56.400 -0.594 0.000 0.875 487 E CB 0.300 29.787 29.700 -0.355 0.000 0.859 487 E HN 0.888 nan 8.360 nan 0.000 0.498 488 G N -0.038 107.922 108.800 -1.400 0.000 2.559 488 G HA2 0.228 4.203 3.960 0.024 0.000 0.235 488 G HA3 0.228 4.203 3.960 0.024 0.000 0.235 488 G C 0.800 175.570 174.900 -0.217 0.000 1.266 488 G CA 0.281 44.982 45.100 -0.666 0.000 0.847 488 G HN 0.333 nan 8.290 nan 0.000 0.583 489 G N -0.560 108.229 108.800 -0.018 0.000 2.176 489 G HA2 0.234 4.208 3.960 0.024 0.000 0.252 489 G HA3 0.234 4.208 3.960 0.024 0.000 0.252 489 G C 1.271 176.192 174.900 0.036 0.000 1.024 489 G CA 0.998 46.142 45.100 0.074 0.000 0.755 489 G HN 2.634 nan 8.290 nan 0.000 0.507 490 G N -1.616 107.197 108.800 0.021 0.000 2.192 490 G HA2 0.427 4.402 3.960 0.024 0.000 0.193 490 G HA3 0.427 4.402 3.960 0.024 0.000 0.193 490 G C 0.998 176.035 174.900 0.227 0.000 0.999 490 G CA 1.284 46.460 45.100 0.127 0.000 0.659 490 G HN 2.378 nan 8.290 nan 0.000 0.503 491 A N -0.381 122.452 122.820 0.022 0.000 3.661 491 A HA -0.122 4.213 4.320 0.024 0.000 0.269 491 A C 1.057 178.582 177.584 -0.098 0.000 1.056 491 A CA 2.571 54.558 52.037 -0.082 0.000 1.159 491 A CB -1.751 17.158 19.000 -0.152 0.000 1.105 491 A HN 2.116 nan 8.150 nan 0.000 0.907 492 D N -0.631 119.802 120.400 0.055 0.000 2.837 492 D HA 0.341 4.996 4.640 0.024 0.000 0.340 492 D C 0.377 176.683 176.300 0.010 0.000 1.451 492 D CA 0.799 54.832 54.000 0.055 0.000 0.798 492 D CB -1.132 39.841 40.800 0.289 0.000 1.169 492 D HN 0.818 nan 8.370 nan 0.000 0.449 493 T N -2.549 111.939 114.554 -0.109 0.000 2.689 493 T HA 0.212 4.576 4.350 0.024 0.000 0.308 493 T C 1.602 176.177 174.700 -0.209 0.000 1.021 493 T CA 0.429 62.395 62.100 -0.224 0.000 0.973 493 T CB 0.834 69.320 68.868 -0.636 0.000 1.113 493 T HN 0.094 nan 8.240 nan 0.000 0.522 494 T N -2.744 111.677 114.554 -0.221 0.000 3.160 494 T HA 0.235 4.600 4.350 0.024 0.000 0.257 494 T C 1.560 176.007 174.700 -0.423 0.000 1.147 494 T CA 0.248 62.226 62.100 -0.203 0.000 1.064 494 T CB -0.464 68.364 68.868 -0.066 0.000 0.949 494 T HN 0.819 nan 8.240 nan 0.000 0.526 495 A N 0.478 123.066 122.820 -0.387 0.000 2.415 495 A HA 0.491 4.826 4.320 0.024 0.000 0.248 495 A C 0.866 178.297 177.584 -0.254 0.000 1.299 495 A CA -0.264 51.515 52.037 -0.430 0.000 0.899 495 A CB 0.008 19.013 19.000 0.007 0.000 0.997 495 A HN 0.425 nan 8.150 nan 0.000 0.506 496 T N -1.266 113.155 114.554 -0.223 0.000 2.921 496 T HA 0.376 4.740 4.350 0.024 0.000 0.297 496 T C -0.513 174.218 174.700 0.052 0.000 1.013 496 T CA -0.455 61.656 62.100 0.020 0.000 0.990 496 T CB 1.190 70.063 68.868 0.009 0.000 1.023 496 T HN 0.100 nan 8.240 nan 0.000 0.447 497 D N 2.985 123.494 120.400 0.181 0.000 2.348 497 D HA 0.260 4.915 4.640 0.024 0.000 0.211 497 D C 0.364 176.701 176.300 0.061 0.000 0.998 497 D CA 0.713 54.801 54.000 0.147 0.000 0.873 497 D CB 0.407 41.319 40.800 0.188 0.000 0.925 497 D HN 0.549 nan 8.370 nan 0.000 0.524 498 I N 0.858 121.447 120.570 0.031 0.000 2.545 498 I HA 0.267 4.452 4.170 0.024 0.000 0.292 498 I C -0.235 175.820 176.117 -0.102 0.000 1.040 498 I CA -0.933 60.349 61.300 -0.030 0.000 1.068 498 I CB 2.832 40.824 38.000 -0.013 0.000 1.251 498 I HN -0.358 nan 8.210 nan 0.000 0.424 499 I N 5.622 126.084 120.570 -0.180 0.000 2.406 499 I HA 0.062 4.246 4.170 0.024 0.000 0.293 499 I C 0.227 176.130 176.117 -0.356 0.000 1.101 499 I CA -0.027 61.064 61.300 -0.348 0.000 1.334 499 I CB 0.094 37.780 38.000 -0.523 0.000 1.421 499 I HN 0.669 nan 8.210 nan 0.000 0.513 500 C N 5.714 124.824 119.300 -0.316 0.000 3.276 500 C HA 0.504 4.979 4.460 0.024 0.000 0.226 500 C C -2.178 172.675 174.990 -0.229 0.000 1.502 500 C CA -2.303 56.583 59.018 -0.221 0.000 1.488 500 C CB -0.934 26.736 27.740 -0.116 0.000 2.014 500 C HN 0.394 nan 8.230 nan 0.000 0.492 501 P HA 0.342 nan 4.420 nan 0.000 0.274 501 P C -0.432 176.811 177.300 -0.095 0.000 1.256 501 P CA 0.122 63.115 63.100 -0.179 0.000 0.795 501 P CB 0.754 32.367 31.700 -0.145 0.000 1.038 502 M N -0.106 119.464 119.600 -0.051 0.000 2.181 502 M HA 0.449 4.944 4.480 0.024 0.000 0.323 502 M C -0.855 175.407 176.300 -0.063 0.000 1.004 502 M CA -0.639 54.531 55.300 -0.217 0.000 0.941 502 M CB 1.084 33.560 32.600 -0.206 0.000 1.579 502 M HN 0.326 nan 8.290 nan 0.000 0.427 503 Y N -0.186 120.280 120.300 0.277 0.000 4.490 503 Y HA -0.217 4.349 4.550 0.025 0.000 0.233 503 Y C 0.494 176.569 175.900 0.292 0.000 1.101 503 Y CA 0.427 58.697 58.100 0.282 0.000 2.010 503 Y CB -2.353 36.241 38.460 0.222 0.000 1.622 503 Y HN 0.976 nan 8.280 nan 0.000 0.675 504 A N 1.222 124.254 122.820 0.353 0.000 2.477 504 A HA 0.531 4.865 4.320 0.024 0.000 0.246 504 A C 0.792 178.598 177.584 0.369 0.000 1.078 504 A CA -0.398 51.860 52.037 0.368 0.000 0.770 504 A CB 0.354 19.607 19.000 0.422 0.000 1.011 504 A HN 0.430 nan 8.150 nan 0.000 0.494 505 R N 1.455 122.106 120.500 0.252 0.000 2.580 505 R HA 0.313 4.668 4.340 0.024 0.000 0.267 505 R C 1.055 177.334 176.300 -0.034 0.000 1.125 505 R CA -0.642 55.536 56.100 0.131 0.000 1.188 505 R CB 0.420 30.766 30.300 0.075 0.000 1.155 505 R HN 0.488 nan 8.270 nan 0.000 0.586 506 V N 0.491 120.227 119.914 -0.296 0.000 2.283 506 V HA -0.181 3.953 4.120 0.024 0.000 0.243 506 V C 0.986 176.971 176.094 -0.181 0.000 1.039 506 V CA 1.841 63.929 62.300 -0.353 0.000 1.016 506 V CB -0.273 31.213 31.823 -0.561 0.000 0.650 506 V HN 0.744 nan 8.190 nan 0.000 0.449 507 D N -1.416 118.911 120.400 -0.121 0.000 2.473 507 D HA 0.088 4.743 4.640 0.024 0.000 0.230 507 D C 0.928 177.217 176.300 -0.018 0.000 1.097 507 D CA 0.023 53.986 54.000 -0.062 0.000 0.861 507 D CB 0.749 41.515 40.800 -0.056 0.000 1.114 507 D HN 0.474 nan 8.370 nan 0.000 0.500 508 E N 2.127 122.319 120.200 -0.014 0.000 2.194 508 E HA 0.084 4.448 4.350 0.024 0.000 0.284 508 E C -0.776 175.829 176.600 0.008 0.000 1.035 508 E CA -0.518 55.882 56.400 0.001 0.000 0.836 508 E CB 0.817 30.516 29.700 -0.000 0.000 1.070 508 E HN -0.158 nan 8.360 nan 0.000 0.401 509 D N 3.830 124.235 120.400 0.009 0.000 2.313 509 D HA 0.126 4.780 4.640 0.024 0.000 0.247 509 D C -0.520 175.678 176.300 -0.170 0.000 1.094 509 D CA 0.161 54.157 54.000 -0.006 0.000 0.925 509 D CB 1.186 42.050 40.800 0.106 0.000 1.188 509 D HN 0.449 nan 8.370 nan 0.000 0.430 510 Q N 1.183 120.761 119.800 -0.370 0.000 2.932 510 Q HA 0.228 4.582 4.340 0.024 0.000 0.248 510 Q C -2.212 173.148 176.000 -1.067 0.000 0.982 510 Q CA -1.489 53.902 55.803 -0.687 0.000 0.730 510 Q CB 2.220 30.577 28.738 -0.634 0.000 1.249 510 Q HN 0.139 nan 8.270 nan 0.000 0.476 511 P HA -0.058 nan 4.420 nan 0.000 0.246 511 P C -0.646 176.308 177.300 -0.577 0.000 1.675 511 P CA 0.106 62.771 63.100 -0.724 0.000 0.908 511 P CB -0.726 30.774 31.700 -0.334 0.000 1.890 512 F N 2.235 122.009 119.950 -0.295 0.000 2.595 512 F HA 0.115 4.656 4.527 0.024 0.000 0.359 512 F C -1.038 174.652 175.800 -0.184 0.000 1.147 512 F CA -2.200 55.684 58.000 -0.193 0.000 1.341 512 F CB -0.743 38.163 39.000 -0.157 0.000 1.104 512 F HN 0.071 nan 8.300 nan 0.000 0.603 513 P HA 0.153 nan 4.420 nan 0.000 0.271 513 P C 0.281 177.596 177.300 0.025 0.000 1.216 513 P CA 0.799 63.915 63.100 0.026 0.000 0.776 513 P CB 1.401 33.117 31.700 0.026 0.000 0.881 514 A N 2.975 125.802 122.820 0.013 0.000 2.617 514 A HA -0.244 4.091 4.320 0.024 0.000 0.236 514 A C 0.730 178.324 177.584 0.016 0.000 0.551 514 A CA 1.977 54.027 52.037 0.023 0.000 1.144 514 A CB -2.723 16.290 19.000 0.022 0.000 1.384 514 A HN 0.712 nan 8.150 nan 0.000 0.694 515 V N -3.066 116.851 119.914 0.005 0.000 2.468 515 V HA 0.552 4.686 4.120 0.024 0.000 0.256 515 V C -2.307 173.758 176.094 -0.047 0.000 0.998 515 V CA -1.262 61.038 62.300 0.001 0.000 1.114 515 V CB 0.567 32.401 31.823 0.018 0.000 1.378 515 V HN 0.495 nan 8.190 nan 0.000 0.573 516 P HA 0.208 nan 4.420 nan 0.000 0.270 516 P C -0.591 176.227 177.300 -0.802 0.000 1.223 516 P CA 0.234 62.915 63.100 -0.699 0.000 0.785 516 P CB 0.891 31.648 31.700 -1.572 0.000 0.923 517 K N 2.142 122.150 120.400 -0.654 0.000 2.419 517 K HA 0.211 4.545 4.320 0.024 0.000 0.244 517 K C -0.381 175.900 176.600 -0.532 0.000 1.045 517 K CA -0.270 55.824 56.287 -0.323 0.000 1.004 517 K CB 0.352 32.956 32.500 0.173 0.000 1.376 517 K HN 0.463 nan 8.250 nan 0.000 0.460 518 W N 1.455 122.416 121.300 -0.564 0.000 2.126 518 W HA 0.025 4.700 4.660 0.024 0.000 0.346 518 W C 1.350 177.883 176.519 0.024 0.000 1.279 518 W CA -0.447 56.681 57.345 -0.361 0.000 1.259 518 W CB 0.433 29.494 29.460 -0.664 0.000 1.133 518 W HN 0.392 nan 8.180 nan 0.000 0.592 519 S N 3.238 119.105 115.700 0.278 0.000 2.558 519 S HA -0.081 4.403 4.470 0.024 0.000 0.293 519 S C 1.210 175.978 174.600 0.280 0.000 1.292 519 S CA -0.101 58.212 58.200 0.188 0.000 1.063 519 S CB 0.174 63.431 63.200 0.094 0.000 0.831 519 S HN 0.516 nan 8.310 nan 0.000 0.499 520 I N 2.114 122.812 120.570 0.213 0.000 2.264 520 I HA -0.166 4.019 4.170 0.024 0.000 0.248 520 I C 2.101 178.257 176.117 0.066 0.000 1.111 520 I CA 1.366 62.783 61.300 0.194 0.000 1.382 520 I CB -0.467 37.586 38.000 0.088 0.000 1.060 520 I HN 0.596 nan 8.210 nan 0.000 0.418 521 K N 1.533 121.874 120.400 -0.098 0.000 2.057 521 K HA -0.181 4.154 4.320 0.024 0.000 0.207 521 K C 2.319 178.941 176.600 0.037 0.000 1.049 521 K CA 1.925 58.087 56.287 -0.208 0.000 0.931 521 K CB -0.240 32.078 32.500 -0.303 0.000 0.714 521 K HN 0.398 nan 8.250 nan 0.000 0.440 522 K N 0.045 120.484 120.400 0.064 0.000 2.097 522 K HA -0.181 4.153 4.320 0.024 0.000 0.205 522 K C 1.901 178.546 176.600 0.074 0.000 1.050 522 K CA 0.960 57.272 56.287 0.041 0.000 0.938 522 K CB -0.110 32.378 32.500 -0.020 0.000 0.718 522 K HN 0.221 nan 8.250 nan 0.000 0.442 523 W N 2.157 123.460 121.300 0.004 0.000 2.317 523 W HA -0.213 4.460 4.660 0.022 0.000 0.318 523 W C 1.723 178.234 176.519 -0.013 0.000 1.227 523 W CA 1.243 58.600 57.345 0.020 0.000 1.269 523 W CB -0.756 28.792 29.460 0.147 0.000 1.155 523 W HN 0.098 nan 8.180 nan 0.000 0.484 524 L N 0.820 122.211 121.223 0.279 0.000 2.137 524 L HA -0.275 4.080 4.340 0.024 0.000 0.213 524 L C 2.254 179.197 176.870 0.121 0.000 1.085 524 L CA 2.096 57.033 54.840 0.161 0.000 0.760 524 L CB -1.064 41.080 42.059 0.141 0.000 0.893 524 L HN 0.035 nan 8.230 nan 0.000 0.434 525 S N -1.549 114.208 115.700 0.094 0.000 2.557 525 S HA 0.228 4.713 4.470 0.024 0.000 0.223 525 S C 0.634 175.223 174.600 -0.017 0.000 0.969 525 S CA -0.543 57.679 58.200 0.038 0.000 0.927 525 S CB -0.358 62.864 63.200 0.036 0.000 0.806 525 S HN 0.169 nan 8.310 nan 0.000 0.489 526 L N 2.185 123.386 121.223 -0.036 0.000 2.529 526 L HA 0.175 4.530 4.340 0.024 0.000 0.287 526 L C -2.180 174.656 176.870 -0.056 0.000 1.241 526 L CA -1.466 53.304 54.840 -0.117 0.000 0.857 526 L CB -0.387 41.583 42.059 -0.148 0.000 1.113 526 L HN 0.041 nan 8.230 nan 0.000 0.504 527 P HA -0.072 nan 4.420 nan 0.000 0.259 527 P C 0.812 178.103 177.300 -0.016 0.000 1.163 527 P CA 1.235 64.309 63.100 -0.043 0.000 0.760 527 P CB 0.432 32.100 31.700 -0.054 0.000 0.762 528 G N 1.983 110.782 108.800 -0.003 0.000 2.245 528 G HA2 -0.297 3.678 3.960 0.024 0.000 0.264 528 G HA3 -0.297 3.678 3.960 0.024 0.000 0.264 528 G C 0.310 175.225 174.900 0.025 0.000 0.985 528 G CA 0.205 45.312 45.100 0.011 0.000 0.625 528 G HN 0.621 nan 8.290 nan 0.000 0.536 529 E N 1.260 121.480 120.200 0.034 0.000 2.344 529 E HA 0.535 4.900 4.350 0.024 0.000 0.270 529 E C 1.415 178.041 176.600 0.044 0.000 1.021 529 E CA 0.870 57.304 56.400 0.057 0.000 0.887 529 E CB 0.646 30.408 29.700 0.102 0.000 0.997 529 E HN 0.561 nan 8.360 nan 0.000 0.429 530 T N 0.776 115.353 114.554 0.038 0.000 3.041 530 T HA 0.322 4.687 4.350 0.024 0.000 0.276 530 T C 0.625 175.337 174.700 0.019 0.000 0.948 530 T CA -0.457 61.660 62.100 0.027 0.000 0.885 530 T CB 0.134 69.017 68.868 0.024 0.000 1.175 530 T HN 0.231 nan 8.240 nan 0.000 0.529 531 R N 2.169 122.677 120.500 0.013 0.000 2.649 531 R HA 0.475 4.830 4.340 0.024 0.000 0.270 531 R C -2.609 173.675 176.300 -0.026 0.000 1.105 531 R CA -1.887 54.210 56.100 -0.005 0.000 1.193 531 R CB -0.004 30.288 30.300 -0.013 0.000 1.120 531 R HN 0.194 nan 8.270 nan 0.000 0.561 532 P HA 0.077 nan 4.420 nan 0.000 0.274 532 P C -1.050 176.185 177.300 -0.108 0.000 1.237 532 P CA -0.092 62.971 63.100 -0.063 0.000 0.793 532 P CB 0.611 32.272 31.700 -0.065 0.000 0.977 533 L N 3.054 124.195 121.223 -0.138 0.000 2.325 533 L HA 0.567 4.922 4.340 0.024 0.000 0.281 533 L C -0.999 175.730 176.870 -0.235 0.000 1.004 533 L CA -0.646 54.073 54.840 -0.201 0.000 0.823 533 L CB 0.402 42.334 42.059 -0.212 0.000 1.236 533 L HN 0.244 nan 8.230 nan 0.000 0.415 534 I N 5.674 126.111 120.570 -0.221 0.000 2.468 534 I HA 0.237 4.422 4.170 0.024 0.000 0.285 534 I C -0.651 175.375 176.117 -0.151 0.000 1.039 534 I CA -0.587 60.567 61.300 -0.243 0.000 1.074 534 I CB 2.015 39.931 38.000 -0.141 0.000 1.228 534 I HN 0.492 nan 8.210 nan 0.000 0.436 535 L N 5.885 126.992 121.223 -0.193 0.000 2.584 535 L HA -0.039 4.315 4.340 0.024 0.000 0.272 535 L C 1.549 178.500 176.870 0.136 0.000 1.195 535 L CA -0.062 54.736 54.840 -0.071 0.000 0.920 535 L CB 0.347 42.343 42.059 -0.106 0.000 1.173 535 L HN 0.863 nan 8.230 nan 0.000 0.489 536 C N 0.503 119.854 119.300 0.085 0.000 2.448 536 C HA 0.114 4.588 4.460 0.024 0.000 0.280 536 C C 0.668 175.804 174.990 0.244 0.000 1.398 536 C CA -0.186 58.927 59.018 0.159 0.000 1.774 536 C CB -1.104 26.641 27.740 0.009 0.000 1.888 536 C HN 0.827 nan 8.230 nan 0.000 0.519 537 E N -0.822 119.458 120.200 0.133 0.000 2.321 537 E HA 0.610 4.975 4.350 0.024 0.000 0.281 537 E C -1.336 175.212 176.600 -0.088 0.000 0.910 537 E CA -0.399 56.059 56.400 0.096 0.000 0.770 537 E CB 1.962 31.566 29.700 -0.160 0.000 1.225 537 E HN 0.672 nan 8.360 nan 0.000 0.417 538 Y N -0.906 119.373 120.300 -0.034 0.000 2.689 538 Y HA 0.635 5.201 4.550 0.026 0.000 0.333 538 Y C -0.777 175.300 175.900 0.295 0.000 1.208 538 Y CA -0.929 57.161 58.100 -0.016 0.000 1.055 538 Y CB 0.885 39.197 38.460 -0.247 0.000 1.304 538 Y HN 0.656 nan 8.280 nan 0.000 0.455 539 A N 2.043 124.938 122.820 0.123 0.000 2.183 539 A HA -0.261 4.074 4.320 0.024 0.000 0.278 539 A C -0.490 177.242 177.584 0.246 0.000 1.404 539 A CA 1.061 53.182 52.037 0.139 0.000 0.737 539 A CB -2.371 16.601 19.000 -0.048 0.000 1.172 539 A HN 1.101 nan 8.150 nan 0.000 0.338 540 H N 1.091 120.326 119.070 0.275 0.000 3.082 540 H HA 0.308 4.878 4.556 0.024 0.000 0.275 540 H C 1.060 176.465 175.328 0.129 0.000 1.032 540 H CA 0.716 56.937 56.048 0.289 0.000 1.477 540 H CB 0.600 30.414 29.762 0.087 0.000 1.520 540 H HN 0.831 nan 8.280 nan 0.000 0.521 541 A N 6.668 129.423 122.820 -0.110 0.000 2.840 541 A HA 0.072 4.407 4.320 0.024 0.000 0.269 541 A C 0.801 178.256 177.584 -0.215 0.000 1.439 541 A CA -0.421 51.522 52.037 -0.156 0.000 1.083 541 A CB -0.624 18.276 19.000 -0.168 0.000 1.019 541 A HN 0.802 nan 8.150 nan 0.000 0.607 542 M N 1.531 120.978 119.600 -0.255 0.000 2.193 542 M HA 0.450 4.945 4.480 0.024 0.000 0.342 542 M C 0.871 176.998 176.300 -0.287 0.000 1.413 542 M CA 1.264 56.410 55.300 -0.257 0.000 1.191 542 M CB -0.346 32.130 32.600 -0.206 0.000 1.633 542 M HN 0.830 nan 8.290 nan 0.000 0.458 543 G N 4.150 112.748 108.800 -0.336 0.000 2.512 543 G HA2 -0.310 3.664 3.960 0.024 0.000 0.254 543 G HA3 -0.310 3.664 3.960 0.024 0.000 0.254 543 G C -0.393 173.979 174.900 -0.880 0.000 1.199 543 G CA -0.095 44.621 45.100 -0.639 0.000 0.941 543 G HN 0.809 nan 8.290 nan 0.000 0.569 544 N N 1.266 119.323 118.700 -1.072 0.000 2.508 544 N HA 0.540 5.295 4.740 0.024 0.000 0.253 544 N C 0.006 175.265 175.510 -0.419 0.000 1.145 544 N CA 1.014 53.606 53.050 -0.763 0.000 0.973 544 N CB 0.543 38.602 38.487 -0.712 0.000 1.305 544 N HN 0.809 nan 8.380 nan 0.000 0.506 545 S N 1.953 117.494 115.700 -0.264 0.000 2.998 545 S HA 0.617 5.102 4.470 0.024 0.000 0.323 545 S C -0.121 174.422 174.600 -0.095 0.000 1.141 545 S CA -0.368 57.733 58.200 -0.165 0.000 0.873 545 S CB 0.201 63.324 63.200 -0.130 0.000 1.315 545 S HN 0.369 nan 8.310 nan 0.000 0.637 546 L N 0.141 121.344 121.223 -0.033 0.000 4.613 546 L HA -0.060 4.294 4.340 0.024 0.000 0.409 546 L C 0.477 177.394 176.870 0.080 0.000 1.100 546 L CA 0.867 55.718 54.840 0.018 0.000 1.029 546 L CB -1.769 40.223 42.059 -0.112 0.000 2.137 546 L HN 0.699 nan 8.230 nan 0.000 0.713 547 G N -0.711 108.104 108.800 0.025 0.000 2.361 547 G HA2 0.491 4.465 3.960 0.024 0.000 0.260 547 G HA3 0.491 4.465 3.960 0.024 0.000 0.260 547 G C 1.194 176.139 174.900 0.075 0.000 1.261 547 G CA 0.223 45.313 45.100 -0.017 0.000 0.897 547 G HN 1.387 nan 8.290 nan 0.000 0.499 548 G N 1.740 110.581 108.800 0.070 0.000 2.132 548 G HA2 -0.307 3.668 3.960 0.024 0.000 0.234 548 G HA3 -0.307 3.668 3.960 0.024 0.000 0.234 548 G C 0.910 176.003 174.900 0.321 0.000 0.989 548 G CA 0.658 45.849 45.100 0.152 0.000 0.676 548 G HN 0.792 nan 8.290 nan 0.000 0.522 549 F N 1.577 121.658 119.950 0.218 0.000 2.161 549 F HA 0.133 4.675 4.527 0.025 0.000 0.300 549 F C 2.582 178.619 175.800 0.394 0.000 1.089 549 F CA 2.348 60.563 58.000 0.357 0.000 1.282 549 F CB -0.390 38.753 39.000 0.238 0.000 1.010 549 F HN 0.353 nan 8.300 nan 0.000 0.485 550 A N -0.315 122.683 122.820 0.297 0.000 2.019 550 A HA -0.217 4.117 4.320 0.024 0.000 0.219 550 A C 2.297 179.914 177.584 0.055 0.000 1.164 550 A CA 1.622 53.761 52.037 0.171 0.000 0.644 550 A CB -0.782 18.317 19.000 0.165 0.000 0.805 550 A HN 0.442 nan 8.150 nan 0.000 0.449 551 K N -1.629 118.786 120.400 0.026 0.000 2.097 551 K HA -0.171 4.164 4.320 0.024 0.000 0.206 551 K C 1.658 178.045 176.600 -0.354 0.000 1.049 551 K CA 1.555 57.771 56.287 -0.119 0.000 0.933 551 K CB -0.290 32.143 32.500 -0.111 0.000 0.717 551 K HN 0.585 nan 8.250 nan 0.000 0.442 552 Y N -0.957 119.097 120.300 -0.411 0.000 2.200 552 Y HA -0.209 4.355 4.550 0.024 0.000 0.290 552 Y C 1.897 176.887 175.900 -1.517 0.000 1.137 552 Y CA 1.426 58.934 58.100 -0.986 0.000 1.163 552 Y CB -0.191 37.648 38.460 -1.034 0.000 0.988 552 Y HN 0.160 nan 8.280 nan 0.000 0.518 553 W N -0.047 120.838 121.300 -0.692 0.000 2.402 553 W HA -0.182 4.493 4.660 0.026 0.000 0.286 553 W C 2.587 178.931 176.519 -0.293 0.000 1.221 553 W CA 1.325 58.383 57.345 -0.479 0.000 1.257 553 W CB -0.458 28.811 29.460 -0.320 0.000 1.120 553 W HN 0.038 nan 8.180 nan 0.000 0.551 554 Q N 0.741 120.474 119.800 -0.111 0.000 2.084 554 Q HA -0.163 4.192 4.340 0.024 0.000 0.202 554 Q C 2.196 178.134 176.000 -0.102 0.000 0.978 554 Q CA 1.997 57.762 55.803 -0.063 0.000 0.844 554 Q CB -0.519 28.193 28.738 -0.044 0.000 0.898 554 Q HN 0.276 nan 8.270 nan 0.000 0.426 555 A N -0.099 122.565 122.820 -0.261 0.000 1.898 555 A HA -0.091 4.244 4.320 0.024 0.000 0.216 555 A C 2.016 179.551 177.584 -0.081 0.000 1.181 555 A CA 0.931 52.832 52.037 -0.226 0.000 0.620 555 A CB -1.009 17.717 19.000 -0.457 0.000 0.819 555 A HN 0.465 nan 8.150 nan 0.000 0.442 556 F N -0.335 119.437 119.950 -0.296 0.000 2.161 556 F HA -0.205 4.337 4.527 0.025 0.000 0.300 556 F C 2.764 178.464 175.800 -0.166 0.000 1.089 556 F CA 1.032 58.830 58.000 -0.337 0.000 1.282 556 F CB -0.156 38.438 39.000 -0.677 0.000 1.010 556 F HN 0.160 nan 8.300 nan 0.000 0.485 557 R N 0.041 120.594 120.500 0.088 0.000 2.090 557 R HA -0.152 4.203 4.340 0.024 0.000 0.228 557 R C 2.138 178.476 176.300 0.064 0.000 1.110 557 R CA 1.077 57.215 56.100 0.062 0.000 0.973 557 R CB -0.405 29.925 30.300 0.050 0.000 0.869 557 R HN 0.377 nan 8.270 nan 0.000 0.440 558 Q N -0.329 119.540 119.800 0.116 0.000 2.137 558 Q HA -0.068 4.287 4.340 0.024 0.000 0.198 558 Q C -0.429 175.639 176.000 0.113 0.000 0.960 558 Q CA 0.999 56.878 55.803 0.126 0.000 0.847 558 Q CB 0.347 29.193 28.738 0.179 0.000 0.915 558 Q HN 0.162 nan 8.270 nan 0.000 0.448 559 Y N -0.018 120.264 120.300 -0.029 0.000 2.335 559 Y HA 0.259 4.823 4.550 0.023 0.000 0.339 559 Y C -1.774 174.101 175.900 -0.042 0.000 0.987 559 Y CA -2.847 55.236 58.100 -0.029 0.000 1.140 559 Y CB 1.467 39.915 38.460 -0.019 0.000 1.173 559 Y HN 0.112 nan 8.280 nan 0.000 0.486 560 P HA -0.136 nan 4.420 nan 0.000 0.215 560 P C 1.154 178.455 177.300 0.003 0.000 1.153 560 P CA 1.722 64.823 63.100 0.003 0.000 0.853 560 P CB 0.325 32.008 31.700 -0.028 0.000 0.788 561 R N -1.151 119.371 120.500 0.037 0.000 2.307 561 R HA 0.105 4.460 4.340 0.024 0.000 0.199 561 R C 0.464 176.749 176.300 -0.026 0.000 1.000 561 R CA 0.128 56.233 56.100 0.007 0.000 1.023 561 R CB -0.438 29.877 30.300 0.024 0.000 0.908 561 R HN 0.233 nan 8.270 nan 0.000 0.473 562 L N 1.914 123.142 121.223 0.007 0.000 2.312 562 L HA 0.135 4.490 4.340 0.024 0.000 0.287 562 L C 0.507 177.235 176.870 -0.237 0.000 1.091 562 L CA 0.186 54.979 54.840 -0.078 0.000 0.846 562 L CB 1.113 43.194 42.059 0.036 0.000 1.219 562 L HN 0.083 nan 8.230 nan 0.000 0.439 563 Q N 2.876 122.448 119.800 -0.379 0.000 2.201 563 Q HA 0.331 4.686 4.340 0.024 0.000 0.236 563 Q C 0.733 176.297 176.000 -0.726 0.000 0.857 563 Q CA 0.004 55.541 55.803 -0.444 0.000 1.025 563 Q CB 1.143 29.722 28.738 -0.264 0.000 1.124 563 Q HN 0.946 nan 8.270 nan 0.000 0.473 564 G N -0.400 107.550 108.800 -1.416 0.000 2.384 564 G HA2 0.152 4.126 3.960 0.024 0.000 0.204 564 G HA3 0.152 4.126 3.960 0.024 0.000 0.204 564 G C -0.456 173.609 174.900 -1.392 0.000 1.237 564 G CA -0.741 43.298 45.100 -1.769 0.000 1.060 564 G HN 0.519 nan 8.290 nan 0.000 0.514 565 G N -2.149 106.113 108.800 -0.896 0.000 2.356 565 G HA2 0.650 4.625 3.960 0.024 0.000 0.294 565 G HA3 0.650 4.625 3.960 0.024 0.000 0.294 565 G C -1.777 173.048 174.900 -0.124 0.000 1.423 565 G CA -0.400 44.412 45.100 -0.480 0.000 0.806 565 G HN 1.118 nan 8.290 nan 0.000 0.527 566 F N 0.723 120.931 119.950 0.431 0.000 2.402 566 F HA 0.515 5.056 4.527 0.023 0.000 0.355 566 F C 0.771 176.855 175.800 0.473 0.000 1.123 566 F CA -0.770 57.491 58.000 0.436 0.000 1.021 566 F CB 2.040 41.193 39.000 0.255 0.000 1.160 566 F HN 0.244 nan 8.300 nan 0.000 0.451 567 V N 3.376 123.561 119.914 0.452 0.000 2.843 567 V HA -0.111 4.024 4.120 0.024 0.000 0.305 567 V C -0.274 175.961 176.094 0.235 0.000 1.065 567 V CA -0.323 62.027 62.300 0.083 0.000 1.116 567 V CB 0.891 32.800 31.823 0.142 0.000 0.968 567 V HN 0.772 nan 8.190 nan 0.000 0.487 568 W N 6.628 127.995 121.300 0.111 0.000 2.299 568 W HA 0.448 5.123 4.660 0.024 0.000 0.319 568 W C -0.821 175.719 176.519 0.035 0.000 1.008 568 W CA -0.591 56.867 57.345 0.189 0.000 1.384 568 W CB 1.206 30.950 29.460 0.472 0.000 1.220 568 W HN 0.927 nan 8.180 nan 0.000 0.402 569 D N 2.460 122.607 120.400 -0.421 0.000 2.838 569 D HA 0.059 4.714 4.640 0.024 0.000 0.334 569 D C 0.632 176.709 176.300 -0.372 0.000 1.315 569 D CA -0.558 53.054 54.000 -0.647 0.000 0.917 569 D CB 0.147 39.913 40.800 -1.724 0.000 1.435 569 D HN 0.376 nan 8.370 nan 0.000 0.517 570 W N 0.447 121.431 121.300 -0.527 0.000 2.348 570 W HA 0.063 4.738 4.660 0.025 0.000 0.324 570 W C 0.087 176.377 176.519 -0.382 0.000 1.209 570 W CA 1.586 58.675 57.345 -0.426 0.000 1.275 570 W CB 0.191 29.427 29.460 -0.373 0.000 1.175 570 W HN 0.177 nan 8.180 nan 0.000 0.461 571 V N 2.157 121.811 119.914 -0.433 0.000 2.735 571 V HA 0.234 4.369 4.120 0.024 0.000 0.310 571 V C -0.920 174.959 176.094 -0.358 0.000 1.061 571 V CA -0.807 61.180 62.300 -0.522 0.000 0.913 571 V CB 1.546 33.174 31.823 -0.325 0.000 1.005 571 V HN -0.082 nan 8.190 nan 0.000 0.428 572 D N 3.785 123.977 120.400 -0.347 0.000 2.533 572 D HA 0.101 4.756 4.640 0.024 0.000 0.236 572 D C 0.265 176.405 176.300 -0.267 0.000 1.137 572 D CA 0.727 54.586 54.000 -0.234 0.000 0.867 572 D CB 0.788 41.528 40.800 -0.099 0.000 1.170 572 D HN 0.619 nan 8.370 nan 0.000 0.474 573 Q N 1.174 120.758 119.800 -0.360 0.000 3.207 573 Q HA 0.153 4.508 4.340 0.024 0.000 0.335 573 Q C -0.129 175.833 176.000 -0.063 0.000 1.374 573 Q CA -0.376 54.980 55.803 -0.744 0.000 1.023 573 Q CB 0.037 28.434 28.738 -0.569 0.000 1.576 573 Q HN 0.341 nan 8.270 nan 0.000 0.515 574 S N 0.003 115.773 115.700 0.116 0.000 2.585 574 S HA 0.615 5.100 4.470 0.024 0.000 0.277 574 S C -0.093 174.669 174.600 0.270 0.000 1.241 574 S CA -0.756 57.615 58.200 0.285 0.000 1.041 574 S CB 1.411 64.759 63.200 0.247 0.000 0.987 574 S HN 0.338 nan 8.310 nan 0.000 0.512 575 L N 1.635 122.935 121.223 0.128 0.000 2.313 575 L HA 0.557 4.912 4.340 0.024 0.000 0.268 575 L C -0.224 176.553 176.870 -0.155 0.000 1.010 575 L CA -1.237 53.553 54.840 -0.084 0.000 0.814 575 L CB 1.186 43.053 42.059 -0.320 0.000 1.304 575 L HN 0.553 nan 8.230 nan 0.000 0.441 576 I N 1.914 122.343 120.570 -0.235 0.000 2.395 576 I HA 0.270 4.455 4.170 0.024 0.000 0.289 576 I C 0.055 175.799 176.117 -0.622 0.000 1.023 576 I CA -0.093 60.945 61.300 -0.436 0.000 1.350 576 I CB 1.127 38.872 38.000 -0.426 0.000 1.409 576 I HN 0.556 nan 8.210 nan 0.000 0.507 577 K N 5.428 125.175 120.400 -1.088 0.000 2.295 577 K HA 0.565 4.900 4.320 0.024 0.000 0.239 577 K C -1.596 174.247 176.600 -1.262 0.000 0.991 577 K CA -0.729 54.820 56.287 -1.230 0.000 0.845 577 K CB 2.391 33.813 32.500 -1.796 0.000 1.197 577 K HN 0.263 nan 8.250 nan 0.000 0.441 578 Y N 0.967 121.078 120.300 -0.315 0.000 2.361 578 Y HA 0.099 4.664 4.550 0.025 0.000 0.337 578 Y C 0.153 176.192 175.900 0.232 0.000 0.965 578 Y CA -1.124 56.977 58.100 0.001 0.000 1.091 578 Y CB 1.341 39.785 38.460 -0.028 0.000 1.182 578 Y HN 0.694 nan 8.280 nan 0.000 0.450 579 D N 0.592 121.250 120.400 0.429 0.000 2.414 579 D HA -0.007 4.647 4.640 0.024 0.000 0.259 579 D C 0.901 177.294 176.300 0.155 0.000 1.269 579 D CA -0.228 53.920 54.000 0.245 0.000 1.028 579 D CB 0.510 41.363 40.800 0.089 0.000 1.093 579 D HN 0.740 nan 8.370 nan 0.000 0.545 580 E N -0.365 119.883 120.200 0.080 0.000 2.118 580 E HA -0.252 4.113 4.350 0.024 0.000 0.195 580 E C 1.075 177.705 176.600 0.049 0.000 0.992 580 E CA 1.093 57.524 56.400 0.051 0.000 0.804 580 E CB -0.603 29.111 29.700 0.022 0.000 0.741 580 E HN 0.395 nan 8.360 nan 0.000 0.458 581 N N 0.789 119.523 118.700 0.057 0.000 2.521 581 N HA -0.014 4.741 4.740 0.024 0.000 0.188 581 N C 1.078 176.631 175.510 0.070 0.000 1.146 581 N CA 1.016 54.097 53.050 0.052 0.000 0.893 581 N CB 0.638 39.154 38.487 0.048 0.000 0.975 581 N HN 0.445 nan 8.380 nan 0.000 0.451 582 G N 0.963 109.829 108.800 0.110 0.000 2.160 582 G HA2 -0.239 3.736 3.960 0.024 0.000 0.244 582 G HA3 -0.239 3.736 3.960 0.024 0.000 0.244 582 G C -0.351 174.697 174.900 0.248 0.000 1.022 582 G CA -0.395 44.785 45.100 0.133 0.000 0.741 582 G HN 0.324 nan 8.290 nan 0.000 0.508 583 N N 1.192 120.036 118.700 0.239 0.000 2.456 583 N HA 0.467 5.221 4.740 0.024 0.000 0.288 583 N C -2.776 172.872 175.510 0.230 0.000 1.059 583 N CA -1.161 52.018 53.050 0.215 0.000 0.946 583 N CB 2.195 40.764 38.487 0.136 0.000 1.150 583 N HN 0.091 nan 8.380 nan 0.000 0.479 584 P HA 0.350 nan 4.420 nan 0.000 0.281 584 P C -0.639 176.632 177.300 -0.047 0.000 1.249 584 P CA -0.328 62.616 63.100 -0.260 0.000 0.810 584 P CB 0.776 32.264 31.700 -0.355 0.000 1.008 585 W N -0.972 120.088 121.300 -0.400 0.000 3.137 585 W HA 0.449 5.124 4.660 0.025 0.000 0.324 585 W C -1.554 174.808 176.519 -0.261 0.000 1.253 585 W CA -1.040 56.091 57.345 -0.356 0.000 1.183 585 W CB 0.201 29.214 29.460 -0.745 0.000 1.424 585 W HN 0.090 nan 8.180 nan 0.000 0.566 586 S N 1.609 117.383 115.700 0.124 0.000 2.439 586 S HA 0.603 5.087 4.470 0.024 0.000 0.282 586 S C 0.147 174.954 174.600 0.344 0.000 1.170 586 S CA -0.308 57.972 58.200 0.133 0.000 1.054 586 S CB 0.825 64.168 63.200 0.237 0.000 0.956 586 S HN 0.627 nan 8.310 nan 0.000 0.490 587 A N 3.221 126.055 122.820 0.023 0.000 2.312 587 A HA 0.859 5.193 4.320 0.024 0.000 0.328 587 A C -0.561 177.310 177.584 0.479 0.000 1.158 587 A CA -0.720 51.381 52.037 0.105 0.000 0.821 587 A CB 0.521 19.267 19.000 -0.424 0.000 1.170 587 A HN 0.849 nan 8.150 nan 0.000 0.490 588 Y N -0.263 120.369 120.300 0.553 0.000 3.159 588 Y HA 0.773 5.337 4.550 0.025 0.000 0.299 588 Y C 0.778 177.070 175.900 0.654 0.000 1.666 588 Y CA -1.250 57.181 58.100 0.551 0.000 1.049 588 Y CB -0.119 38.493 38.460 0.254 0.000 1.413 588 Y HN 0.858 nan 8.280 nan 0.000 0.576 589 G N -0.128 109.097 108.800 0.708 0.000 2.224 589 G HA2 0.348 4.322 3.960 0.024 0.000 0.239 589 G HA3 0.348 4.322 3.960 0.024 0.000 0.239 589 G C 0.959 176.176 174.900 0.529 0.000 1.240 589 G CA 0.520 45.950 45.100 0.550 0.000 0.896 589 G HN 1.934 nan 8.290 nan 0.000 0.496 590 G N 2.366 111.450 108.800 0.473 0.000 2.299 590 G HA2 -0.292 3.683 3.960 0.024 0.000 0.237 590 G HA3 -0.292 3.683 3.960 0.024 0.000 0.237 590 G C 0.957 176.055 174.900 0.331 0.000 1.027 590 G CA 0.674 45.987 45.100 0.355 0.000 0.619 590 G HN 0.642 nan 8.290 nan 0.000 0.513 591 D N -0.046 120.569 120.400 0.359 0.000 2.378 591 D HA 0.112 4.766 4.640 0.024 0.000 0.222 591 D C 1.342 177.546 176.300 -0.160 0.000 0.980 591 D CA 0.589 54.657 54.000 0.114 0.000 0.907 591 D CB -0.205 40.614 40.800 0.033 0.000 0.899 591 D HN 0.479 nan 8.370 nan 0.000 0.527 592 F N -0.898 119.167 119.950 0.192 0.000 2.661 592 F HA 0.305 4.847 4.527 0.025 0.000 0.306 592 F C 1.831 177.714 175.800 0.140 0.000 1.094 592 F CA -0.091 57.989 58.000 0.133 0.000 1.254 592 F CB 0.757 39.836 39.000 0.132 0.000 1.040 592 F HN -0.035 nan 8.300 nan 0.000 0.562 593 G N 0.363 109.320 108.800 0.261 0.000 2.176 593 G HA2 -0.264 3.711 3.960 0.024 0.000 0.253 593 G HA3 -0.264 3.711 3.960 0.024 0.000 0.253 593 G C -0.185 174.854 174.900 0.233 0.000 0.979 593 G CA 0.092 45.313 45.100 0.203 0.000 0.641 593 G HN 0.395 nan 8.290 nan 0.000 0.530 594 D N 0.502 121.091 120.400 0.316 0.000 2.425 594 D HA 0.489 5.143 4.640 0.024 0.000 0.247 594 D C 0.139 176.564 176.300 0.209 0.000 1.147 594 D CA 1.030 55.202 54.000 0.287 0.000 0.879 594 D CB 1.615 42.645 40.800 0.382 0.000 1.179 594 D HN 0.461 nan 8.370 nan 0.000 0.456 595 T N 1.046 115.693 114.554 0.154 0.000 3.087 595 T HA 0.390 4.754 4.350 0.024 0.000 0.351 595 T C -2.786 171.957 174.700 0.070 0.000 1.520 595 T CA -1.108 61.055 62.100 0.105 0.000 1.111 595 T CB 1.052 69.982 68.868 0.104 0.000 1.353 595 T HN 0.226 nan 8.240 nan 0.000 0.481 596 P HA 0.498 nan 4.420 nan 0.000 0.273 596 P C -0.880 176.422 177.300 0.004 0.000 1.250 596 P CA -0.295 62.814 63.100 0.016 0.000 0.793 596 P CB 0.323 32.009 31.700 -0.023 0.000 1.011 597 N N -1.817 116.883 118.700 0.000 0.000 2.732 597 N HA 0.300 5.055 4.740 0.024 0.000 0.259 597 N C -1.162 174.320 175.510 -0.048 0.000 1.402 597 N CA -0.733 52.304 53.050 -0.021 0.000 0.829 597 N CB 0.765 39.335 38.487 0.138 0.000 1.495 597 N HN 0.070 nan 8.380 nan 0.000 0.511 598 D N -0.376 119.971 120.400 -0.088 0.000 2.643 598 D HA 0.145 4.800 4.640 0.024 0.000 0.244 598 D C 0.404 176.969 176.300 0.441 0.000 1.257 598 D CA -0.175 53.855 54.000 0.051 0.000 0.831 598 D CB 0.164 40.818 40.800 -0.243 0.000 1.043 598 D HN 0.713 nan 8.370 nan 0.000 0.488 599 R N 0.929 121.670 120.500 0.401 0.000 3.559 599 R HA -0.333 4.022 4.340 0.024 0.000 0.569 599 R C 1.273 177.690 176.300 0.196 0.000 0.241 599 R CA 1.523 57.875 56.100 0.420 0.000 1.762 599 R CB -1.590 28.878 30.300 0.281 0.000 0.881 599 R HN 0.140 nan 8.270 nan 0.000 0.615 600 Q N 1.373 120.951 119.800 -0.370 0.000 2.500 600 Q HA -0.073 4.281 4.340 0.024 0.000 0.213 600 Q C 1.844 177.565 176.000 -0.464 0.000 0.974 600 Q CA 1.758 57.094 55.803 -0.777 0.000 0.918 600 Q CB -0.159 27.922 28.738 -1.095 0.000 0.980 600 Q HN 0.620 nan 8.270 nan 0.000 0.505 601 F N 1.726 121.598 119.950 -0.130 0.000 2.411 601 F HA -0.173 4.369 4.527 0.024 0.000 0.299 601 F C 2.329 178.072 175.800 -0.094 0.000 1.077 601 F CA 1.296 59.299 58.000 0.006 0.000 1.439 601 F CB -0.284 38.799 39.000 0.139 0.000 1.085 601 F HN 0.418 nan 8.300 nan 0.000 0.564 602 C N -1.514 117.505 119.300 -0.469 0.000 2.562 602 C HA 0.222 4.696 4.460 0.024 0.000 0.266 602 C C 1.026 175.829 174.990 -0.311 0.000 1.382 602 C CA -0.519 58.076 59.018 -0.705 0.000 1.742 602 C CB -1.606 25.205 27.740 -1.548 0.000 1.812 602 C HN 0.188 nan 8.230 nan 0.000 0.559 603 M N 2.737 122.189 119.600 -0.245 0.000 2.060 603 M HA 0.290 4.785 4.480 0.024 0.000 0.342 603 M C -0.484 175.704 176.300 -0.186 0.000 1.031 603 M CA 0.326 55.513 55.300 -0.189 0.000 0.981 603 M CB -0.057 32.451 32.600 -0.152 0.000 1.376 603 M HN 0.376 nan 8.290 nan 0.000 0.397 604 N N 0.634 119.228 118.700 -0.177 0.000 2.232 604 N HA 0.207 4.962 4.740 0.024 0.000 0.240 604 N C 0.340 175.664 175.510 -0.311 0.000 1.307 604 N CA -0.556 52.354 53.050 -0.234 0.000 0.859 604 N CB 1.202 39.629 38.487 -0.100 0.000 1.260 604 N HN 0.635 nan 8.380 nan 0.000 0.501 605 G N -0.008 108.576 108.800 -0.360 0.000 2.477 605 G HA2 0.398 4.373 3.960 0.024 0.000 0.304 605 G HA3 0.398 4.373 3.960 0.024 0.000 0.304 605 G C 0.616 175.086 174.900 -0.716 0.000 1.175 605 G CA -0.568 44.218 45.100 -0.525 0.000 0.907 605 G HN 0.090 nan 8.290 nan 0.000 0.509 606 L N -0.159 120.619 121.223 -0.742 0.000 2.341 606 L HA 0.142 4.496 4.340 0.024 0.000 0.214 606 L C 1.003 177.244 176.870 -1.048 0.000 1.115 606 L CA 0.294 54.695 54.840 -0.732 0.000 0.820 606 L CB -0.158 41.613 42.059 -0.480 0.000 0.944 606 L HN 0.389 nan 8.230 nan 0.000 0.452 607 V N -4.404 114.776 119.914 -1.223 0.000 2.960 607 V HA 0.482 4.617 4.120 0.024 0.000 0.315 607 V C -0.242 175.334 176.094 -0.863 0.000 1.087 607 V CA -1.168 60.545 62.300 -0.978 0.000 0.982 607 V CB 1.736 33.028 31.823 -0.885 0.000 1.039 607 V HN -0.140 nan 8.190 nan 0.000 0.437 608 F N 1.804 121.563 119.950 -0.319 0.000 2.440 608 F HA 0.576 5.118 4.527 0.025 0.000 0.323 608 F C 1.909 177.621 175.800 -0.146 0.000 1.192 608 F CA 0.618 58.577 58.000 -0.068 0.000 1.252 608 F CB 1.045 40.056 39.000 0.018 0.000 1.214 608 F HN 0.790 nan 8.300 nan 0.000 0.578 609 A N 0.814 123.715 122.820 0.135 0.000 2.032 609 A HA -0.238 4.096 4.320 0.024 0.000 0.221 609 A C 1.690 179.255 177.584 -0.032 0.000 1.165 609 A CA 1.992 54.059 52.037 0.049 0.000 0.645 609 A CB -0.943 18.125 19.000 0.113 0.000 0.807 609 A HN 0.798 nan 8.150 nan 0.000 0.453 610 D N -3.116 117.284 120.400 -0.000 0.000 2.328 610 D HA 0.110 4.765 4.640 0.024 0.000 0.226 610 D C 0.712 177.001 176.300 -0.019 0.000 1.066 610 D CA 0.157 54.130 54.000 -0.045 0.000 0.861 610 D CB -0.042 40.733 40.800 -0.041 0.000 0.912 610 D HN 0.223 nan 8.370 nan 0.000 0.521 611 R N -1.884 118.603 120.500 -0.021 0.000 3.584 611 R HA -0.111 4.243 4.340 0.024 0.000 0.488 611 R C -0.165 176.131 176.300 -0.007 0.000 0.869 611 R CA 1.069 57.148 56.100 -0.034 0.000 1.325 611 R CB -3.099 27.218 30.300 0.028 0.000 2.015 611 R HN 0.245 nan 8.270 nan 0.000 0.489 612 T N 2.790 117.379 114.554 0.058 0.000 2.930 612 T HA 0.366 4.731 4.350 0.024 0.000 0.306 612 T C -2.309 172.481 174.700 0.151 0.000 1.045 612 T CA -0.642 61.519 62.100 0.102 0.000 1.134 612 T CB 1.005 69.935 68.868 0.103 0.000 0.961 612 T HN -0.085 nan 8.240 nan 0.000 0.545 613 P HA 0.263 nan 4.420 nan 0.000 0.277 613 P C -0.244 177.148 177.300 0.153 0.000 1.240 613 P CA -0.422 62.688 63.100 0.017 0.000 0.798 613 P CB 0.524 32.226 31.700 0.004 0.000 0.979 614 H N 1.722 120.676 119.070 -0.193 0.000 2.508 614 H HA 0.147 4.718 4.556 0.025 0.000 0.358 614 H C -1.243 174.016 175.328 -0.116 0.000 1.212 614 H CA -1.949 53.963 56.048 -0.227 0.000 1.356 614 H CB 0.506 30.088 29.762 -0.300 0.000 1.525 614 H HN 0.323 nan 8.280 nan 0.000 0.578 615 P HA -0.128 nan 4.420 nan 0.000 0.218 615 P C 1.135 178.447 177.300 0.020 0.000 1.149 615 P CA 1.262 64.368 63.100 0.010 0.000 0.817 615 P CB -0.019 31.672 31.700 -0.015 0.000 0.785 616 A N -0.223 122.614 122.820 0.028 0.000 2.024 616 A HA -0.181 4.153 4.320 0.024 0.000 0.220 616 A C 2.071 179.613 177.584 -0.071 0.000 1.164 616 A CA 1.267 53.281 52.037 -0.038 0.000 0.643 616 A CB -1.609 17.343 19.000 -0.080 0.000 0.806 616 A HN 0.174 nan 8.150 nan 0.000 0.451 617 L N -0.615 120.583 121.223 -0.041 0.000 2.131 617 L HA -0.105 4.250 4.340 0.024 0.000 0.210 617 L C 2.477 179.388 176.870 0.067 0.000 1.092 617 L CA 2.666 57.508 54.840 0.003 0.000 0.759 617 L CB -0.933 41.121 42.059 -0.008 0.000 0.903 617 L HN 0.385 nan 8.230 nan 0.000 0.435 618 T N -1.675 112.923 114.554 0.074 0.000 2.857 618 T HA -0.180 4.184 4.350 0.024 0.000 0.266 618 T C 1.808 176.603 174.700 0.159 0.000 1.048 618 T CA 1.356 63.547 62.100 0.153 0.000 1.139 618 T CB -0.101 68.840 68.868 0.122 0.000 0.874 618 T HN 0.481 nan 8.240 nan 0.000 0.455 619 E N 0.860 121.100 120.200 0.068 0.000 2.077 619 E HA 0.016 4.380 4.350 0.024 0.000 0.193 619 E C 2.167 178.770 176.600 0.005 0.000 0.989 619 E CA 1.425 57.869 56.400 0.073 0.000 0.800 619 E CB -0.624 29.095 29.700 0.031 0.000 0.746 619 E HN 0.550 nan 8.360 nan 0.000 0.452 620 A N 1.002 123.717 122.820 -0.175 0.000 1.877 620 A HA -0.243 4.092 4.320 0.024 0.000 0.216 620 A C 2.169 179.635 177.584 -0.198 0.000 1.186 620 A CA 1.951 53.816 52.037 -0.287 0.000 0.620 620 A CB -0.671 18.144 19.000 -0.308 0.000 0.822 620 A HN 0.277 nan 8.150 nan 0.000 0.443 621 K N -1.273 119.089 120.400 -0.064 0.000 2.044 621 K HA -0.315 4.020 4.320 0.024 0.000 0.210 621 K C 2.082 178.581 176.600 -0.168 0.000 1.049 621 K CA 2.171 58.435 56.287 -0.039 0.000 0.927 621 K CB -0.364 32.267 32.500 0.219 0.000 0.713 621 K HN 0.651 nan 8.250 nan 0.000 0.443 622 H N 0.373 119.265 119.070 -0.297 0.000 2.321 622 H HA -0.046 4.525 4.556 0.025 0.000 0.300 622 H C 2.020 177.069 175.328 -0.464 0.000 1.087 622 H CA 1.857 57.546 56.048 -0.599 0.000 1.319 622 H CB 0.036 29.501 29.762 -0.495 0.000 1.379 622 H HN 0.255 nan 8.280 nan 0.000 0.501 623 Q N 0.287 119.830 119.800 -0.429 0.000 2.170 623 Q HA -0.115 4.240 4.340 0.024 0.000 0.203 623 Q C 1.697 177.134 176.000 -0.937 0.000 0.976 623 Q CA 1.333 56.787 55.803 -0.582 0.000 0.858 623 Q CB -0.068 28.464 28.738 -0.343 0.000 0.907 623 Q HN 0.720 nan 8.270 nan 0.000 0.433 624 Q N 0.277 119.478 119.800 -0.999 0.000 2.322 624 Q HA 0.063 4.418 4.340 0.024 0.000 0.203 624 Q C -0.016 175.437 176.000 -0.911 0.000 0.923 624 Q CA -0.212 54.889 55.803 -1.168 0.000 0.949 624 Q CB 0.208 28.297 28.738 -1.080 0.000 1.039 624 Q HN 0.370 nan 8.270 nan 0.000 0.496 625 Q N -0.403 119.004 119.800 -0.656 0.000 2.414 625 Q HA -0.056 4.299 4.340 0.024 0.000 0.288 625 Q C -0.162 175.474 176.000 -0.606 0.000 1.086 625 Q CA 0.450 56.000 55.803 -0.422 0.000 0.943 625 Q CB 0.439 29.005 28.738 -0.288 0.000 1.282 625 Q HN 0.311 nan 8.270 nan 0.000 0.438 626 F N 0.413 120.141 119.950 -0.369 0.000 2.727 626 F HA 0.240 4.781 4.527 0.024 0.000 0.302 626 F C -0.191 175.041 175.800 -0.947 0.000 1.097 626 F CA -0.005 57.540 58.000 -0.759 0.000 1.330 626 F CB 0.559 38.794 39.000 -1.275 0.000 1.084 626 F HN 0.298 nan 8.300 nan 0.000 0.578 627 F N 0.412 120.269 119.950 -0.156 0.000 2.529 627 F HA 0.459 5.002 4.527 0.025 0.000 0.320 627 F C -0.122 175.331 175.800 -0.579 0.000 1.118 627 F CA -1.064 56.748 58.000 -0.312 0.000 0.915 627 F CB 1.382 40.250 39.000 -0.220 0.000 1.161 627 F HN -0.319 nan 8.300 nan 0.000 0.445 628 Q N 3.112 122.644 119.800 -0.447 0.000 2.301 628 Q HA 0.607 4.962 4.340 0.024 0.000 0.267 628 Q C -1.334 174.287 176.000 -0.631 0.000 1.035 628 Q CA -0.665 54.889 55.803 -0.415 0.000 0.856 628 Q CB 2.950 31.584 28.738 -0.173 0.000 1.337 628 Q HN 0.567 nan 8.270 nan 0.000 0.450 629 F N -0.160 119.921 119.950 0.217 0.000 2.599 629 F HA 0.609 5.151 4.527 0.025 0.000 0.311 629 F C 0.134 176.158 175.800 0.373 0.000 1.076 629 F CA -0.862 57.330 58.000 0.319 0.000 0.937 629 F CB 2.328 41.654 39.000 0.543 0.000 1.282 629 F HN 0.179 nan 8.300 nan 0.000 0.460 630 R N 1.380 122.164 120.500 0.473 0.000 2.651 630 R HA 0.670 5.025 4.340 0.024 0.000 0.278 630 R C -2.089 174.226 176.300 0.025 0.000 1.010 630 R CA -1.070 55.223 56.100 0.321 0.000 0.896 630 R CB 2.777 33.178 30.300 0.168 0.000 1.211 630 R HN 0.588 nan 8.270 nan 0.000 0.456 631 L N 1.182 122.288 121.223 -0.196 0.000 2.329 631 L HA 0.638 4.992 4.340 0.024 0.000 0.279 631 L C -1.105 175.590 176.870 -0.291 0.000 1.014 631 L CA 0.145 54.657 54.840 -0.546 0.000 0.814 631 L CB 2.062 43.319 42.059 -1.337 0.000 1.257 631 L HN 0.534 nan 8.230 nan 0.000 0.424 632 S N 3.795 119.348 115.700 -0.245 0.000 2.737 632 S HA 0.686 5.170 4.470 0.024 0.000 0.269 632 S C 0.113 174.619 174.600 -0.157 0.000 1.150 632 S CA 0.264 58.370 58.200 -0.157 0.000 1.077 632 S CB 0.274 63.419 63.200 -0.091 0.000 1.075 632 S HN 1.651 nan 8.310 nan 0.000 0.476 633 G N 4.487 113.196 108.800 -0.152 0.000 2.559 633 G HA2 -0.319 3.656 3.960 0.024 0.000 0.282 633 G HA3 -0.319 3.656 3.960 0.024 0.000 0.282 633 G C 0.371 175.164 174.900 -0.178 0.000 1.177 633 G CA 0.760 45.777 45.100 -0.138 0.000 0.960 633 G HN 0.828 nan 8.290 nan 0.000 0.540 634 Q N 1.107 120.803 119.800 -0.173 0.000 2.159 634 Q HA 0.416 4.771 4.340 0.024 0.000 0.217 634 Q C -0.008 175.854 176.000 -0.231 0.000 0.818 634 Q CA 0.806 56.481 55.803 -0.213 0.000 1.008 634 Q CB 0.488 29.121 28.738 -0.175 0.000 1.148 634 Q HN 0.658 nan 8.270 nan 0.000 0.491 635 T N 0.442 114.874 114.554 -0.204 0.000 2.749 635 T HA 0.440 4.805 4.350 0.024 0.000 0.287 635 T C -0.125 174.450 174.700 -0.209 0.000 0.970 635 T CA -0.485 61.510 62.100 -0.175 0.000 0.980 635 T CB 1.194 69.992 68.868 -0.117 0.000 0.924 635 T HN 0.093 nan 8.240 nan 0.000 0.456 636 I N 3.054 123.517 120.570 -0.179 0.000 2.336 636 I HA 0.311 4.496 4.170 0.024 0.000 0.292 636 I C 0.413 176.530 176.117 0.000 0.000 0.991 636 I CA -0.454 60.769 61.300 -0.128 0.000 1.227 636 I CB 1.552 39.495 38.000 -0.096 0.000 1.366 636 I HN 0.752 nan 8.210 nan 0.000 0.466 637 E N 6.792 127.026 120.200 0.057 0.000 2.129 637 E HA 0.440 4.804 4.350 0.024 0.000 0.268 637 E C -1.609 175.086 176.600 0.158 0.000 0.900 637 E CA -0.525 55.927 56.400 0.086 0.000 0.755 637 E CB 1.747 31.480 29.700 0.054 0.000 1.117 637 E HN 0.334 nan 8.360 nan 0.000 0.410 638 V N 3.896 123.894 119.914 0.140 0.000 2.427 638 V HA 0.379 4.513 4.120 0.024 0.000 0.286 638 V C 0.044 176.171 176.094 0.054 0.000 1.034 638 V CA -0.495 61.856 62.300 0.085 0.000 0.893 638 V CB 1.765 33.673 31.823 0.142 0.000 0.982 638 V HN 0.702 nan 8.190 nan 0.000 0.452 639 T N 3.023 117.572 114.554 -0.009 0.000 2.824 639 T HA 0.330 4.695 4.350 0.024 0.000 0.282 639 T C -0.189 174.529 174.700 0.030 0.000 0.993 639 T CA -0.259 61.852 62.100 0.017 0.000 0.967 639 T CB 1.632 70.481 68.868 -0.033 0.000 0.960 639 T HN 0.693 nan 8.240 nan 0.000 0.441 640 S N 1.723 117.446 115.700 0.037 0.000 2.513 640 S HA 0.203 4.688 4.470 0.024 0.000 0.276 640 S C 0.882 175.338 174.600 -0.241 0.000 1.254 640 S CA -0.434 57.689 58.200 -0.129 0.000 1.053 640 S CB 0.520 63.719 63.200 -0.002 0.000 0.958 640 S HN 0.723 nan 8.310 nan 0.000 0.491 641 E N 3.053 122.993 120.200 -0.433 0.000 2.474 641 E HA 0.074 4.438 4.350 0.024 0.000 0.195 641 E C -0.669 175.738 176.600 -0.322 0.000 1.039 641 E CA -0.087 56.110 56.400 -0.338 0.000 0.881 641 E CB 0.286 29.769 29.700 -0.362 0.000 0.970 641 E HN 0.706 nan 8.360 nan 0.000 0.486 642 Y N 0.401 120.568 120.300 -0.221 0.000 2.480 642 Y HA -0.030 4.534 4.550 0.024 0.000 0.338 642 Y C 1.501 177.221 175.900 -0.299 0.000 1.220 642 Y CA 0.108 58.076 58.100 -0.220 0.000 1.430 642 Y CB 0.712 39.027 38.460 -0.241 0.000 1.311 642 Y HN -0.043 nan 8.280 nan 0.000 0.575 643 L N 1.123 122.167 121.223 -0.299 0.000 2.463 643 L HA 0.072 4.427 4.340 0.024 0.000 0.219 643 L C 0.677 177.093 176.870 -0.757 0.000 1.088 643 L CA 0.565 54.984 54.840 -0.702 0.000 0.849 643 L CB 0.021 41.289 42.059 -1.318 0.000 1.012 643 L HN 0.654 nan 8.230 nan 0.000 0.468 644 F N -0.422 119.540 119.950 0.019 0.000 2.640 644 F HA 0.207 4.748 4.527 0.023 0.000 0.285 644 F C 1.322 177.113 175.800 -0.016 0.000 1.031 644 F CA -0.811 57.180 58.000 -0.016 0.000 1.240 644 F CB 0.274 39.247 39.000 -0.045 0.000 1.011 644 F HN -0.151 nan 8.300 nan 0.000 0.656 645 R N 0.779 121.321 120.500 0.070 0.000 2.500 645 R HA 0.351 4.706 4.340 0.024 0.000 0.277 645 R C -0.614 175.676 176.300 -0.017 0.000 1.026 645 R CA -0.543 55.554 56.100 -0.004 0.000 1.058 645 R CB 0.542 30.727 30.300 -0.192 0.000 1.078 645 R HN 0.139 nan 8.270 nan 0.000 0.509 646 H N 0.524 119.591 119.070 -0.005 0.000 2.551 646 H HA 0.040 4.611 4.556 0.024 0.000 0.358 646 H C 0.198 175.562 175.328 0.060 0.000 1.151 646 H CA 0.095 56.174 56.048 0.053 0.000 1.374 646 H CB 1.630 31.425 29.762 0.054 0.000 1.473 646 H HN 0.772 nan 8.280 nan 0.000 0.574 647 S N 1.140 116.988 115.700 0.246 0.000 4.175 647 S HA -0.064 4.421 4.470 0.024 0.000 0.193 647 S C 0.390 175.101 174.600 0.186 0.000 1.373 647 S CA -0.596 57.771 58.200 0.278 0.000 0.908 647 S CB -0.833 62.591 63.200 0.374 0.000 1.547 647 S HN 0.586 nan 8.310 nan 0.000 0.440 648 D N 0.583 121.066 120.400 0.139 0.000 2.319 648 D HA 0.051 4.706 4.640 0.024 0.000 0.230 648 D C 0.389 176.732 176.300 0.072 0.000 1.094 648 D CA -0.184 53.873 54.000 0.096 0.000 0.856 648 D CB -0.302 40.539 40.800 0.068 0.000 0.915 648 D HN 0.491 nan 8.370 nan 0.000 0.517 649 N N -0.073 118.681 118.700 0.090 0.000 2.604 649 N HA 0.146 4.901 4.740 0.024 0.000 0.284 649 N C -1.525 174.050 175.510 0.108 0.000 1.716 649 N CA -0.187 52.910 53.050 0.077 0.000 0.859 649 N CB 0.322 38.844 38.487 0.058 0.000 1.403 649 N HN -0.038 nan 8.380 nan 0.000 0.501 650 E N 0.187 120.447 120.200 0.100 0.000 2.343 650 E HA 0.494 4.859 4.350 0.024 0.000 0.278 650 E C -1.271 175.367 176.600 0.063 0.000 0.910 650 E CA -0.790 55.665 56.400 0.091 0.000 0.757 650 E CB 2.063 31.801 29.700 0.063 0.000 1.218 650 E HN 0.207 nan 8.360 nan 0.000 0.435 651 L N 0.597 121.862 121.223 0.069 0.000 2.409 651 L HA 0.680 5.035 4.340 0.024 0.000 0.262 651 L C -1.441 175.493 176.870 0.105 0.000 0.992 651 L CA -1.060 53.828 54.840 0.080 0.000 0.817 651 L CB 1.331 43.440 42.059 0.083 0.000 1.350 651 L HN 0.648 nan 8.230 nan 0.000 0.411 652 L N 3.689 124.989 121.223 0.129 0.000 2.265 652 L HA 0.446 4.801 4.340 0.024 0.000 0.288 652 L C -0.193 176.825 176.870 0.246 0.000 1.058 652 L CA 0.016 54.963 54.840 0.178 0.000 0.809 652 L CB 0.420 42.588 42.059 0.183 0.000 1.179 652 L HN 0.750 nan 8.230 nan 0.000 0.429 653 H N 6.234 125.383 119.070 0.131 0.000 2.472 653 H HA 0.365 4.936 4.556 0.024 0.000 0.338 653 H C -1.657 173.774 175.328 0.171 0.000 1.133 653 H CA -0.740 55.355 56.048 0.078 0.000 1.216 653 H CB 1.075 30.836 29.762 -0.002 0.000 1.497 653 H HN 0.775 nan 8.280 nan 0.000 0.500 654 W N 5.222 126.168 121.300 -0.589 0.000 3.033 654 W HA 0.512 5.186 4.660 0.024 0.000 0.336 654 W C -2.073 174.139 176.519 -0.513 0.000 1.173 654 W CA -1.321 55.785 57.345 -0.399 0.000 1.185 654 W CB 1.468 30.835 29.460 -0.154 0.000 1.425 654 W HN 0.582 nan 8.180 nan 0.000 0.536 655 M N 3.088 122.694 119.600 0.011 0.000 2.365 655 M HA 0.615 5.109 4.480 0.024 0.000 0.287 655 M C -2.601 173.854 176.300 0.258 0.000 1.154 655 M CA -0.553 54.703 55.300 -0.073 0.000 0.941 655 M CB 1.933 34.420 32.600 -0.189 0.000 1.704 655 M HN 0.150 nan 8.290 nan 0.000 0.479 656 V N 3.614 123.694 119.914 0.278 0.000 2.417 656 V HA 1.014 5.148 4.120 0.024 0.000 0.291 656 V C -0.223 175.974 176.094 0.171 0.000 1.024 656 V CA -0.041 62.424 62.300 0.275 0.000 0.861 656 V CB 1.022 33.033 31.823 0.313 0.000 0.985 656 V HN 1.127 nan 8.190 nan 0.000 0.436 657 A N 4.551 127.483 122.820 0.186 0.000 2.498 657 A HA 0.889 5.224 4.320 0.024 0.000 0.298 657 A C -1.418 176.274 177.584 0.180 0.000 1.075 657 A CA -0.639 51.476 52.037 0.130 0.000 0.714 657 A CB 1.757 20.796 19.000 0.065 0.000 1.299 657 A HN 0.882 nan 8.150 nan 0.000 0.407 658 L N 1.495 122.796 121.223 0.131 0.000 2.265 658 L HA 0.478 4.833 4.340 0.024 0.000 0.289 658 L C -0.387 176.578 176.870 0.160 0.000 1.033 658 L CA 0.224 55.157 54.840 0.154 0.000 0.814 658 L CB 0.320 42.438 42.059 0.099 0.000 1.203 658 L HN 0.774 nan 8.230 nan 0.000 0.423 659 D N 4.815 125.375 120.400 0.267 0.000 2.697 659 D HA -0.238 4.417 4.640 0.024 0.000 0.235 659 D C 1.089 177.431 176.300 0.071 0.000 1.167 659 D CA 1.159 55.306 54.000 0.245 0.000 0.656 659 D CB -0.951 39.964 40.800 0.192 0.000 1.025 659 D HN 1.240 nan 8.370 nan 0.000 0.419 660 G N -0.058 108.745 108.800 0.005 0.000 2.304 660 G HA2 -0.366 3.608 3.960 0.024 0.000 0.252 660 G HA3 -0.366 3.608 3.960 0.024 0.000 0.252 660 G C 0.248 175.076 174.900 -0.120 0.000 1.014 660 G CA 0.750 45.746 45.100 -0.174 0.000 0.619 660 G HN 0.542 nan 8.290 nan 0.000 0.525 661 K N 1.711 122.089 120.400 -0.036 0.000 2.248 661 K HA 0.508 4.843 4.320 0.024 0.000 0.281 661 K C -2.942 173.654 176.600 -0.006 0.000 1.054 661 K CA -1.987 54.281 56.287 -0.032 0.000 0.903 661 K CB 2.217 34.710 32.500 -0.011 0.000 1.077 661 K HN 0.113 nan 8.250 nan 0.000 0.474 662 P HA 0.093 nan 4.420 nan 0.000 0.276 662 P C 0.049 177.351 177.300 0.004 0.000 1.243 662 P CA -0.212 62.879 63.100 -0.014 0.000 0.768 662 P CB 0.829 32.502 31.700 -0.045 0.000 0.856 663 L N 1.642 122.885 121.223 0.032 0.000 2.445 663 L HA 0.492 4.847 4.340 0.024 0.000 0.207 663 L C 1.060 177.956 176.870 0.042 0.000 1.053 663 L CA 0.433 55.299 54.840 0.044 0.000 0.841 663 L CB -0.130 41.972 42.059 0.071 0.000 1.074 663 L HN 0.370 nan 8.230 nan 0.000 0.479 664 A N -0.399 122.453 122.820 0.053 0.000 2.610 664 A HA 0.734 5.069 4.320 0.024 0.000 0.291 664 A C -0.835 176.599 177.584 -0.251 0.000 1.086 664 A CA 0.147 52.190 52.037 0.011 0.000 0.677 664 A CB 1.705 20.839 19.000 0.224 0.000 1.278 664 A HN 0.142 nan 8.150 nan 0.000 0.414 665 S N -1.063 114.183 115.700 -0.756 0.000 2.669 665 S HA 0.951 5.436 4.470 0.024 0.000 0.266 665 S C -0.163 173.464 174.600 -1.622 0.000 1.149 665 S CA 0.190 57.358 58.200 -1.719 0.000 0.842 665 S CB 0.693 63.432 63.200 -0.767 0.000 1.160 665 S HN 2.759 nan 8.310 nan 0.000 0.487 666 G N -0.235 107.543 108.800 -1.703 0.000 2.325 666 G HA2 0.554 4.529 3.960 0.024 0.000 0.295 666 G HA3 0.554 4.529 3.960 0.024 0.000 0.295 666 G C -2.312 172.391 174.900 -0.328 0.000 1.274 666 G CA -0.119 44.597 45.100 -0.640 0.000 0.857 666 G HN 1.273 nan 8.290 nan 0.000 0.499 667 E N -1.461 118.790 120.200 0.085 0.000 2.390 667 E HA 0.673 5.038 4.350 0.024 0.000 0.277 667 E C -1.766 174.965 176.600 0.218 0.000 0.939 667 E CA -0.970 55.548 56.400 0.197 0.000 0.769 667 E CB 2.371 32.167 29.700 0.160 0.000 1.251 667 E HN 0.835 nan 8.360 nan 0.000 0.450 668 V N 0.811 120.850 119.914 0.208 0.000 2.808 668 V HA 0.414 4.548 4.120 0.024 0.000 0.308 668 V C -2.615 173.553 176.094 0.124 0.000 1.099 668 V CA -1.837 60.558 62.300 0.158 0.000 0.920 668 V CB 1.953 33.873 31.823 0.160 0.000 1.014 668 V HN 0.642 nan 8.190 nan 0.000 0.425 669 P HA 0.377 nan 4.420 nan 0.000 0.278 669 P C -0.803 176.544 177.300 0.078 0.000 1.238 669 P CA -0.323 62.826 63.100 0.081 0.000 0.794 669 P CB 0.791 32.533 31.700 0.070 0.000 0.955 670 L N 2.526 123.789 121.223 0.066 0.000 2.312 670 L HA 0.350 4.705 4.340 0.024 0.000 0.281 670 L C 0.246 177.170 176.870 0.089 0.000 1.070 670 L CA 0.081 54.953 54.840 0.054 0.000 0.805 670 L CB 0.911 42.956 42.059 -0.023 0.000 1.174 670 L HN 0.385 nan 8.230 nan 0.000 0.434 671 D N 3.181 123.646 120.400 0.107 0.000 2.468 671 D HA 0.324 4.979 4.640 0.024 0.000 0.272 671 D C -1.294 175.109 176.300 0.173 0.000 1.221 671 D CA -0.160 53.929 54.000 0.148 0.000 0.860 671 D CB 0.930 41.808 40.800 0.130 0.000 1.190 671 D HN 0.032 nan 8.370 nan 0.000 0.509 672 V N 1.477 121.504 119.914 0.188 0.000 2.495 672 V HA 0.842 4.977 4.120 0.024 0.000 0.298 672 V C 0.816 176.871 176.094 -0.065 0.000 1.031 672 V CA -1.169 61.210 62.300 0.132 0.000 0.871 672 V CB 1.383 33.339 31.823 0.222 0.000 0.988 672 V HN 0.570 nan 8.190 nan 0.000 0.432 673 A N 6.651 129.318 122.820 -0.256 0.000 2.386 673 A HA 0.649 4.984 4.320 0.024 0.000 0.248 673 A C -2.254 175.107 177.584 -0.372 0.000 1.082 673 A CA -1.350 50.203 52.037 -0.806 0.000 0.789 673 A CB -0.203 18.620 19.000 -0.294 0.000 1.025 673 A HN 0.673 nan 8.150 nan 0.000 0.490 674 P HA 0.018 nan 4.420 nan 0.000 0.262 674 P C -0.455 176.778 177.300 -0.113 0.000 1.182 674 P CA 0.685 63.703 63.100 -0.137 0.000 0.761 674 P CB 0.634 32.268 31.700 -0.109 0.000 0.795 675 Q N -1.031 118.711 119.800 -0.097 0.000 2.324 675 Q HA -0.153 4.202 4.340 0.024 0.000 0.200 675 Q C 0.800 176.769 176.000 -0.052 0.000 0.645 675 Q CA 1.913 57.666 55.803 -0.083 0.000 1.377 675 Q CB -2.647 26.043 28.738 -0.080 0.000 1.486 675 Q HN 0.745 nan 8.270 nan 0.000 0.796 676 G N 0.021 108.796 108.800 -0.042 0.000 2.543 676 G HA2 0.568 4.543 3.960 0.024 0.000 0.290 676 G HA3 0.568 4.543 3.960 0.024 0.000 0.290 676 G C -0.151 174.759 174.900 0.017 0.000 1.310 676 G CA -0.465 44.628 45.100 -0.012 0.000 1.025 676 G HN -0.012 nan 8.290 nan 0.000 0.502 677 K N -0.983 119.436 120.400 0.030 0.000 2.444 677 K HA 0.494 4.828 4.320 0.024 0.000 0.252 677 K C -1.094 175.541 176.600 0.058 0.000 0.993 677 K CA -0.657 55.657 56.287 0.045 0.000 0.847 677 K CB 2.513 35.031 32.500 0.031 0.000 1.340 677 K HN 0.536 nan 8.250 nan 0.000 0.446 678 Q N 2.214 122.054 119.800 0.068 0.000 2.271 678 Q HA 0.369 4.724 4.340 0.024 0.000 0.268 678 Q C -1.778 174.256 176.000 0.058 0.000 1.021 678 Q CA -0.577 55.267 55.803 0.067 0.000 0.802 678 Q CB 1.400 30.188 28.738 0.084 0.000 1.282 678 Q HN 0.520 nan 8.270 nan 0.000 0.431 679 L N 4.635 125.880 121.223 0.038 0.000 2.309 679 L HA 0.607 4.961 4.340 0.024 0.000 0.282 679 L C -0.467 176.408 176.870 0.010 0.000 1.036 679 L CA -0.751 54.100 54.840 0.018 0.000 0.806 679 L CB 1.471 43.531 42.059 0.001 0.000 1.220 679 L HN 0.600 nan 8.230 nan 0.000 0.429 680 I N 2.159 122.722 120.570 -0.011 0.000 2.447 680 I HA 0.239 4.423 4.170 0.024 0.000 0.287 680 I C -0.454 175.606 176.117 -0.094 0.000 1.023 680 I CA -0.477 60.803 61.300 -0.032 0.000 1.083 680 I CB 2.257 40.249 38.000 -0.013 0.000 1.245 680 I HN 0.518 nan 8.210 nan 0.000 0.434 681 E N 6.121 126.267 120.200 -0.090 0.000 2.227 681 E HA 0.469 4.833 4.350 0.024 0.000 0.282 681 E C -0.969 175.513 176.600 -0.197 0.000 1.015 681 E CA -0.284 56.038 56.400 -0.131 0.000 0.823 681 E CB 1.038 30.684 29.700 -0.091 0.000 1.081 681 E HN 0.405 nan 8.360 nan 0.000 0.396 682 L N 5.945 126.996 121.223 -0.287 0.000 2.439 682 L HA 0.433 4.788 4.340 0.024 0.000 0.261 682 L C -1.823 174.891 176.870 -0.261 0.000 1.153 682 L CA -2.000 52.581 54.840 -0.431 0.000 0.808 682 L CB 0.772 42.484 42.059 -0.579 0.000 1.126 682 L HN 0.499 nan 8.230 nan 0.000 0.460 683 P HA 0.022 nan 4.420 nan 0.000 0.276 683 P C -0.676 176.575 177.300 -0.083 0.000 1.252 683 P CA -0.525 62.525 63.100 -0.084 0.000 0.802 683 P CB 0.428 32.144 31.700 0.027 0.000 1.035 684 E N 1.293 121.470 120.200 -0.038 0.000 2.820 684 E HA -0.079 4.286 4.350 0.024 0.000 0.251 684 E C -0.750 175.844 176.600 -0.011 0.000 0.944 684 E CA 0.454 56.837 56.400 -0.028 0.000 0.955 684 E CB -0.120 29.577 29.700 -0.006 0.000 0.904 684 E HN 0.286 nan 8.360 nan 0.000 0.513 685 L N 8.130 129.339 121.223 -0.024 0.000 2.287 685 L HA 0.298 4.653 4.340 0.024 0.000 0.280 685 L C -1.902 174.976 176.870 0.014 0.000 1.055 685 L CA -1.990 52.852 54.840 0.005 0.000 0.863 685 L CB 0.654 42.706 42.059 -0.013 0.000 1.245 685 L HN 0.399 nan 8.230 nan 0.000 0.432 686 P HA -0.089 nan 4.420 nan 0.000 0.269 686 P C -0.104 177.209 177.300 0.022 0.000 1.185 686 P CA -0.091 63.024 63.100 0.025 0.000 0.769 686 P CB 0.603 32.325 31.700 0.035 0.000 0.809 687 Q N 2.026 121.835 119.800 0.015 0.000 2.677 687 Q HA 0.466 4.821 4.340 0.024 0.000 0.187 687 Q C -1.931 174.082 176.000 0.022 0.000 1.146 687 Q CA -0.493 55.319 55.803 0.014 0.000 1.224 687 Q CB -0.732 28.011 28.738 0.009 0.000 1.268 687 Q HN 0.475 nan 8.270 nan 0.000 0.674 688 P HA 0.273 nan 4.420 nan 0.000 0.366 688 P C -1.870 175.445 177.300 0.024 0.000 1.598 688 P CA -0.642 62.474 63.100 0.027 0.000 1.441 688 P CB 1.891 33.612 31.700 0.035 0.000 2.406 689 E N 1.689 121.903 120.200 0.024 0.000 2.055 689 E HA 0.615 4.980 4.350 0.024 0.000 0.274 689 E C -0.809 175.806 176.600 0.025 0.000 0.949 689 E CA -0.576 55.837 56.400 0.022 0.000 0.775 689 E CB 0.700 30.411 29.700 0.018 0.000 1.097 689 E HN 0.375 nan 8.360 nan 0.000 0.404 690 S N 0.381 116.097 115.700 0.027 0.000 2.925 690 S HA 0.212 4.696 4.470 0.024 0.000 0.262 690 S C -0.553 174.068 174.600 0.035 0.000 0.725 690 S CA -0.570 57.650 58.200 0.032 0.000 0.871 690 S CB 0.212 63.433 63.200 0.036 0.000 1.096 690 S HN 0.768 nan 8.310 nan 0.000 0.551 691 A N 1.239 124.081 122.820 0.037 0.000 2.346 691 A HA 0.904 5.239 4.320 0.024 0.000 0.255 691 A C 1.109 178.724 177.584 0.052 0.000 1.113 691 A CA 0.691 52.751 52.037 0.038 0.000 0.798 691 A CB -0.355 18.668 19.000 0.040 0.000 1.073 691 A HN 2.579 nan 8.150 nan 0.000 0.502 692 G N -1.429 107.403 108.800 0.054 0.000 2.354 692 G HA2 0.428 4.403 3.960 0.024 0.000 0.582 692 G HA3 0.428 4.403 3.960 0.024 0.000 0.582 692 G C -0.973 173.961 174.900 0.058 0.000 1.316 692 G CA -0.030 45.117 45.100 0.078 0.000 0.995 692 G HN 1.285 nan 8.290 nan 0.000 0.573 693 Q N -0.413 119.440 119.800 0.088 0.000 2.307 693 Q HA 0.745 5.100 4.340 0.024 0.000 0.262 693 Q C -0.375 175.658 176.000 0.056 0.000 0.961 693 Q CA -0.604 55.199 55.803 0.001 0.000 0.882 693 Q CB 1.295 30.003 28.738 -0.050 0.000 1.264 693 Q HN 0.619 nan 8.270 nan 0.000 0.446 694 L N 4.145 125.343 121.223 -0.041 0.000 2.312 694 L HA 0.534 4.889 4.340 0.024 0.000 0.281 694 L C -0.842 176.014 176.870 -0.024 0.000 1.070 694 L CA -0.471 54.404 54.840 0.059 0.000 0.805 694 L CB 0.840 42.918 42.059 0.033 0.000 1.174 694 L HN 0.691 nan 8.230 nan 0.000 0.434 695 W N 3.926 125.281 121.300 0.091 0.000 2.785 695 W HA 0.518 5.192 4.660 0.024 0.000 0.333 695 W C -0.873 175.740 176.519 0.156 0.000 1.062 695 W CA -0.533 56.885 57.345 0.123 0.000 1.233 695 W CB 1.743 31.291 29.460 0.147 0.000 1.413 695 W HN 0.104 nan 8.180 nan 0.000 0.489 696 L N 3.373 124.872 121.223 0.461 0.000 2.307 696 L HA 0.783 5.138 4.340 0.024 0.000 0.284 696 L C -0.353 176.809 176.870 0.487 0.000 1.023 696 L CA 0.067 55.158 54.840 0.417 0.000 0.810 696 L CB 1.268 43.540 42.059 0.355 0.000 1.231 696 L HN 0.351 nan 8.230 nan 0.000 0.423 697 T N 4.885 119.660 114.554 0.369 0.000 2.861 697 T HA 0.706 5.071 4.350 0.024 0.000 0.287 697 T C -0.715 174.130 174.700 0.242 0.000 1.003 697 T CA -0.478 61.792 62.100 0.282 0.000 0.977 697 T CB 1.665 70.640 68.868 0.177 0.000 0.996 697 T HN 0.649 nan 8.240 nan 0.000 0.448 698 V N 1.037 121.069 119.914 0.197 0.000 2.914 698 V HA 0.963 5.098 4.120 0.024 0.000 0.314 698 V C -0.886 175.268 176.094 0.101 0.000 1.084 698 V CA -1.333 61.039 62.300 0.120 0.000 0.963 698 V CB 2.073 33.919 31.823 0.039 0.000 1.025 698 V HN 1.081 nan 8.190 nan 0.000 0.432 699 R N 1.835 122.426 120.500 0.151 0.000 2.668 699 R HA 0.843 5.198 4.340 0.024 0.000 0.272 699 R C -2.185 174.254 176.300 0.231 0.000 1.019 699 R CA -0.794 55.449 56.100 0.238 0.000 0.894 699 R CB 2.168 32.613 30.300 0.241 0.000 1.228 699 R HN 0.556 nan 8.270 nan 0.000 0.460 700 V N 2.664 122.747 119.914 0.280 0.000 2.394 700 V HA 0.407 4.541 4.120 0.024 0.000 0.282 700 V C -0.304 175.918 176.094 0.213 0.000 1.031 700 V CA -0.625 61.811 62.300 0.227 0.000 0.881 700 V CB 1.602 33.559 31.823 0.224 0.000 0.982 700 V HN 0.549 nan 8.190 nan 0.000 0.451 701 V N 5.050 125.059 119.914 0.160 0.000 2.628 701 V HA 0.422 4.557 4.120 0.024 0.000 0.306 701 V C -0.323 175.850 176.094 0.132 0.000 1.045 701 V CA -0.756 61.624 62.300 0.132 0.000 0.905 701 V CB 2.099 33.973 31.823 0.084 0.000 0.997 701 V HN 0.901 nan 8.190 nan 0.000 0.436 702 Q N 5.452 125.340 119.800 0.146 0.000 2.398 702 Q HA 0.272 4.627 4.340 0.024 0.000 0.251 702 Q C -1.743 174.295 176.000 0.062 0.000 0.999 702 Q CA -1.816 54.060 55.803 0.122 0.000 0.874 702 Q CB 1.795 30.613 28.738 0.133 0.000 1.215 702 Q HN 0.474 nan 8.270 nan 0.000 0.470 703 P HA -0.204 nan 4.420 nan 0.000 0.218 703 P C -0.476 176.825 177.300 0.001 0.000 1.148 703 P CA 1.256 64.368 63.100 0.021 0.000 0.822 703 P CB 0.335 32.047 31.700 0.021 0.000 0.784 704 N N -0.736 117.960 118.700 -0.008 0.000 2.472 704 N HA 0.459 5.213 4.740 0.024 0.000 0.289 704 N C -0.426 175.035 175.510 -0.082 0.000 1.156 704 N CA -0.773 52.256 53.050 -0.036 0.000 0.940 704 N CB 0.961 39.429 38.487 -0.032 0.000 1.200 704 N HN -0.067 nan 8.380 nan 0.000 0.511 705 A N 0.386 123.148 122.820 -0.097 0.000 2.340 705 A HA 0.515 4.850 4.320 0.024 0.000 0.268 705 A C 0.442 177.898 177.584 -0.213 0.000 1.100 705 A CA -0.264 51.678 52.037 -0.158 0.000 0.803 705 A CB 0.056 18.991 19.000 -0.109 0.000 1.043 705 A HN 0.696 nan 8.150 nan 0.000 0.488 706 T N -2.061 112.270 114.554 -0.372 0.000 2.841 706 T HA 0.621 4.985 4.350 0.024 0.000 0.276 706 T C 1.101 175.625 174.700 -0.294 0.000 1.003 706 T CA 0.020 61.892 62.100 -0.380 0.000 0.995 706 T CB 1.092 69.500 68.868 -0.767 0.000 1.260 706 T HN 1.229 nan 8.240 nan 0.000 0.581 707 A N -0.182 122.562 122.820 -0.128 0.000 2.172 707 A HA 0.092 4.426 4.320 0.024 0.000 0.216 707 A C 1.576 179.274 177.584 0.189 0.000 1.154 707 A CA 0.957 53.028 52.037 0.055 0.000 0.701 707 A CB -0.912 18.161 19.000 0.122 0.000 0.789 707 A HN 0.909 nan 8.150 nan 0.000 0.465 708 W N -0.929 120.433 121.300 0.105 0.000 2.714 708 W HA 0.408 5.084 4.660 0.026 0.000 0.353 708 W C -0.222 176.275 176.519 -0.037 0.000 0.999 708 W CA 0.469 57.853 57.345 0.064 0.000 1.629 708 W CB -1.066 28.426 29.460 0.053 0.000 1.106 708 W HN 0.367 nan 8.180 nan 0.000 0.545 709 S N 0.297 115.554 115.700 -0.737 0.000 2.607 709 S HA 0.538 5.023 4.470 0.024 0.000 0.273 709 S C -1.017 173.365 174.600 -0.363 0.000 1.148 709 S CA -0.764 57.056 58.200 -0.633 0.000 0.833 709 S CB 2.685 65.171 63.200 -1.191 0.000 1.130 709 S HN 0.088 nan 8.310 nan 0.000 0.470 710 E N 0.609 120.706 120.200 -0.172 0.000 2.250 710 E HA 0.639 5.004 4.350 0.024 0.000 0.269 710 E C -0.044 176.522 176.600 -0.057 0.000 1.018 710 E CA -1.045 55.303 56.400 -0.086 0.000 0.873 710 E CB 1.134 30.825 29.700 -0.014 0.000 1.134 710 E HN 0.882 nan 8.360 nan 0.000 0.403 711 A N 1.093 123.885 122.820 -0.047 0.000 2.567 711 A HA 0.358 4.693 4.320 0.024 0.000 0.240 711 A C 1.206 178.794 177.584 0.008 0.000 1.053 711 A CA 0.893 52.915 52.037 -0.025 0.000 0.755 711 A CB -0.787 18.199 19.000 -0.023 0.000 0.978 711 A HN 0.866 nan 8.150 nan 0.000 0.507 712 G N 0.961 109.778 108.800 0.028 0.000 2.176 712 G HA2 -0.230 3.744 3.960 0.024 0.000 0.232 712 G HA3 -0.230 3.744 3.960 0.024 0.000 0.232 712 G C 0.207 175.153 174.900 0.077 0.000 0.986 712 G CA 0.566 45.687 45.100 0.035 0.000 0.643 712 G HN 1.721 nan 8.290 nan 0.000 0.522 713 H N 0.788 119.866 119.070 0.012 0.000 2.964 713 H HA 0.468 5.039 4.556 0.024 0.000 0.328 713 H C 0.705 176.113 175.328 0.134 0.000 1.030 713 H CA 0.229 56.315 56.048 0.064 0.000 1.445 713 H CB 0.191 29.967 29.762 0.023 0.000 1.449 713 H HN 0.272 nan 8.280 nan 0.000 0.581 714 I N 5.006 125.373 120.570 -0.339 0.000 2.304 714 I HA 0.018 4.203 4.170 0.024 0.000 0.291 714 I C 0.861 176.895 176.117 -0.138 0.000 1.018 714 I CA -0.019 61.218 61.300 -0.104 0.000 1.260 714 I CB 1.322 39.303 38.000 -0.032 0.000 1.390 714 I HN 0.775 nan 8.210 nan 0.000 0.475 715 S N 4.458 120.272 115.700 0.191 0.000 2.535 715 S HA 0.540 5.025 4.470 0.024 0.000 0.214 715 S C 0.434 175.318 174.600 0.473 0.000 0.980 715 S CA -0.033 58.413 58.200 0.409 0.000 0.907 715 S CB 0.477 64.041 63.200 0.608 0.000 0.790 715 S HN 0.718 nan 8.310 nan 0.000 0.510 716 A N 0.388 123.522 122.820 0.524 0.000 2.583 716 A HA 0.634 4.969 4.320 0.024 0.000 0.292 716 A C -1.836 176.128 177.584 0.633 0.000 1.045 716 A CA -0.868 51.448 52.037 0.465 0.000 0.672 716 A CB 0.172 19.489 19.000 0.529 0.000 1.283 716 A HN 0.950 nan 8.150 nan 0.000 0.419 717 W N -0.319 121.177 121.300 0.326 0.000 3.066 717 W HA 0.814 5.490 4.660 0.025 0.000 0.330 717 W C -1.129 175.455 176.519 0.108 0.000 1.253 717 W CA -0.606 56.816 57.345 0.128 0.000 1.187 717 W CB 1.177 30.671 29.460 0.056 0.000 1.434 717 W HN 1.058 nan 8.180 nan 0.000 0.572 718 Q N 0.944 120.772 119.800 0.047 0.000 2.522 718 Q HA 0.498 4.852 4.340 0.024 0.000 0.285 718 Q C -1.601 174.230 176.000 -0.281 0.000 0.982 718 Q CA -0.463 55.218 55.803 -0.204 0.000 0.805 718 Q CB 2.492 30.975 28.738 -0.425 0.000 1.457 718 Q HN 0.620 nan 8.270 nan 0.000 0.394 719 Q N 1.143 120.683 119.800 -0.434 0.000 2.456 719 Q HA 0.654 5.009 4.340 0.024 0.000 0.283 719 Q C -1.255 174.517 176.000 -0.379 0.000 1.084 719 Q CA -0.734 54.990 55.803 -0.132 0.000 0.801 719 Q CB 2.502 31.391 28.738 0.252 0.000 1.434 719 Q HN 0.605 nan 8.270 nan 0.000 0.419 720 W N 0.798 122.262 121.300 0.272 0.000 3.217 720 W HA 0.434 5.108 4.660 0.024 0.000 0.323 720 W C -0.506 175.947 176.519 -0.110 0.000 1.216 720 W CA -0.660 56.740 57.345 0.092 0.000 1.194 720 W CB 1.773 31.249 29.460 0.026 0.000 1.397 720 W HN 0.423 nan 8.180 nan 0.000 0.537 721 R N 1.782 122.131 120.500 -0.252 0.000 2.390 721 R HA 0.507 4.862 4.340 0.024 0.000 0.291 721 R C 0.408 176.533 176.300 -0.292 0.000 1.070 721 R CA -0.195 55.464 56.100 -0.736 0.000 1.014 721 R CB 1.210 31.042 30.300 -0.779 0.000 1.007 721 R HN 0.306 nan 8.270 nan 0.000 0.466 722 L N 1.313 122.381 121.223 -0.258 0.000 2.783 722 L HA 0.526 4.880 4.340 0.024 0.000 0.205 722 L C 0.618 177.400 176.870 -0.147 0.000 1.985 722 L CA -1.050 53.709 54.840 -0.135 0.000 2.546 722 L CB -0.121 41.898 42.059 -0.067 0.000 2.829 722 L HN 0.597 nan 8.230 nan 0.000 0.614 723 A N 0.381 123.143 122.820 -0.095 0.000 2.507 723 A HA 0.137 4.472 4.320 0.024 0.000 0.235 723 A C -0.220 177.309 177.584 -0.091 0.000 1.070 723 A CA 0.382 52.371 52.037 -0.080 0.000 0.768 723 A CB -0.041 18.930 19.000 -0.048 0.000 1.011 723 A HN 0.630 nan 8.150 nan 0.000 0.502 724 E N 0.944 121.099 120.200 -0.076 0.000 2.266 724 E HA 0.355 4.720 4.350 0.024 0.000 0.268 724 E C -1.415 175.167 176.600 -0.030 0.000 0.879 724 E CA -0.759 55.602 56.400 -0.065 0.000 0.762 724 E CB 1.044 30.697 29.700 -0.079 0.000 1.199 724 E HN 0.734 nan 8.360 nan 0.000 0.422 725 N N 4.987 123.681 118.700 -0.009 0.000 2.479 725 N HA 0.272 5.027 4.740 0.024 0.000 0.261 725 N C -0.628 174.889 175.510 0.011 0.000 0.979 725 N CA -0.426 52.625 53.050 0.002 0.000 0.930 725 N CB 1.409 39.902 38.487 0.009 0.000 1.172 725 N HN 0.426 nan 8.380 nan 0.000 0.499 726 L N 0.907 122.136 121.223 0.010 0.000 2.416 726 L HA 0.129 4.483 4.340 0.024 0.000 0.272 726 L C 1.292 178.176 176.870 0.023 0.000 1.161 726 L CA -0.028 54.823 54.840 0.019 0.000 0.845 726 L CB 0.578 42.647 42.059 0.017 0.000 1.119 726 L HN 0.401 nan 8.230 nan 0.000 0.464 727 S N 1.657 117.377 115.700 0.032 0.000 2.481 727 S HA 0.222 4.706 4.470 0.024 0.000 0.276 727 S C 0.608 175.225 174.600 0.028 0.000 1.247 727 S CA -0.776 57.443 58.200 0.032 0.000 1.053 727 S CB 0.640 63.864 63.200 0.040 0.000 0.925 727 S HN 0.477 nan 8.310 nan 0.000 0.491 728 V N 2.418 122.346 119.914 0.023 0.000 3.276 728 V HA 0.332 4.467 4.120 0.024 0.000 0.319 728 V C 0.549 176.654 176.094 0.018 0.000 1.427 728 V CA -0.061 62.250 62.300 0.019 0.000 1.102 728 V CB -0.567 31.265 31.823 0.015 0.000 1.020 728 V HN 0.827 nan 8.190 nan 0.000 0.456 729 T N 1.953 116.519 114.554 0.021 0.000 2.727 729 T HA 0.642 5.006 4.350 0.024 0.000 0.295 729 T C -0.202 174.509 174.700 0.018 0.000 0.915 729 T CA -0.460 61.652 62.100 0.019 0.000 1.066 729 T CB 0.562 69.442 68.868 0.020 0.000 0.891 729 T HN 0.293 nan 8.240 nan 0.000 0.516 730 L N 4.836 126.067 121.223 0.014 0.000 2.477 730 L HA 0.298 4.652 4.340 0.024 0.000 0.272 730 L C -0.877 175.997 176.870 0.007 0.000 1.157 730 L CA -1.350 53.496 54.840 0.010 0.000 0.889 730 L CB -1.274 40.789 42.059 0.007 0.000 1.158 730 L HN 0.371 nan 8.230 nan 0.000 0.473 731 P HA -0.095 nan 4.420 nan 0.000 0.217 731 P C -0.232 177.059 177.300 -0.014 0.000 0.848 731 P CA 1.588 64.688 63.100 -0.001 0.000 1.049 731 P CB 0.025 31.723 31.700 -0.004 0.000 0.690 732 A N -3.477 119.325 122.820 -0.031 0.000 2.602 732 A HA 0.538 4.872 4.320 0.024 0.000 0.301 732 A C -0.981 176.556 177.584 -0.078 0.000 0.972 732 A CA -0.352 51.656 52.037 -0.049 0.000 0.704 732 A CB -0.398 18.563 19.000 -0.065 0.000 1.264 732 A HN 0.427 nan 8.150 nan 0.000 0.410 733 A N 2.364 125.146 122.820 -0.063 0.000 2.517 733 A HA 0.490 4.825 4.320 0.024 0.000 0.284 733 A C 1.045 178.554 177.584 -0.124 0.000 1.195 733 A CA 0.770 52.773 52.037 -0.058 0.000 0.873 733 A CB -1.304 17.688 19.000 -0.014 0.000 1.055 733 A HN 2.186 nan 8.150 nan 0.000 0.538 734 S N 2.489 118.120 115.700 -0.114 0.000 2.599 734 S HA -0.068 4.416 4.470 0.024 0.000 0.303 734 S C 0.766 175.320 174.600 -0.077 0.000 1.267 734 S CA 0.714 58.829 58.200 -0.141 0.000 1.055 734 S CB -0.172 62.993 63.200 -0.058 0.000 0.790 734 S HN 0.744 nan 8.310 nan 0.000 0.500 735 H N 2.081 121.167 119.070 0.026 0.000 2.387 735 H HA 0.183 4.753 4.556 0.024 0.000 0.299 735 H C 1.096 176.439 175.328 0.026 0.000 1.099 735 H CA 1.193 57.255 56.048 0.024 0.000 1.315 735 H CB 0.075 29.851 29.762 0.024 0.000 1.380 735 H HN 0.857 nan 8.280 nan 0.000 0.513 736 A N 0.343 123.236 122.820 0.122 0.000 2.564 736 A HA 0.553 4.888 4.320 0.024 0.000 0.288 736 A C -1.374 176.248 177.584 0.063 0.000 1.164 736 A CA -0.778 51.312 52.037 0.087 0.000 0.712 736 A CB 1.065 20.120 19.000 0.091 0.000 1.303 736 A HN 0.226 nan 8.150 nan 0.000 0.418 737 I N 0.180 120.787 120.570 0.062 0.000 2.404 737 I HA 0.695 4.879 4.170 0.024 0.000 0.293 737 I C -2.649 173.513 176.117 0.075 0.000 0.992 737 I CA -2.230 59.101 61.300 0.051 0.000 1.149 737 I CB 2.039 40.054 38.000 0.026 0.000 1.315 737 I HN 0.301 nan 8.210 nan 0.000 0.446 738 P HA 0.112 nan 4.420 nan 0.000 0.271 738 P C -1.289 176.066 177.300 0.091 0.000 1.216 738 P CA 0.223 63.376 63.100 0.089 0.000 0.776 738 P CB 0.371 32.080 31.700 0.016 0.000 0.881 739 H N 3.300 122.406 119.070 0.060 0.000 2.488 739 H HA 0.371 4.942 4.556 0.024 0.000 0.322 739 H C -1.171 174.197 175.328 0.067 0.000 1.078 739 H CA -0.808 55.271 56.048 0.051 0.000 1.260 739 H CB 1.032 30.823 29.762 0.049 0.000 1.425 739 H HN 0.234 nan 8.280 nan 0.000 0.471 740 L N 5.062 125.955 121.223 -0.550 0.000 2.282 740 L HA 0.329 4.683 4.340 0.024 0.000 0.288 740 L C -0.644 176.078 176.870 -0.248 0.000 1.033 740 L CA -0.110 54.582 54.840 -0.246 0.000 0.807 740 L CB 1.570 43.513 42.059 -0.192 0.000 1.209 740 L HN 0.541 nan 8.230 nan 0.000 0.423 741 T N 3.690 118.307 114.554 0.105 0.000 2.821 741 T HA 0.358 4.723 4.350 0.024 0.000 0.307 741 T C -0.191 174.625 174.700 0.192 0.000 1.034 741 T CA -0.243 61.972 62.100 0.192 0.000 0.953 741 T CB 0.482 69.496 68.868 0.242 0.000 0.968 741 T HN 0.691 nan 8.240 nan 0.000 0.462 742 T N 3.650 118.312 114.554 0.179 0.000 2.767 742 T HA 0.553 4.918 4.350 0.024 0.000 0.288 742 T C 0.446 175.195 174.700 0.082 0.000 0.963 742 T CA -0.590 61.639 62.100 0.214 0.000 1.019 742 T CB 0.765 69.787 68.868 0.257 0.000 0.923 742 T HN 0.671 nan 8.240 nan 0.000 0.468 743 S N 2.528 118.224 115.700 -0.006 0.000 2.751 743 S HA 0.486 4.971 4.470 0.024 0.000 0.310 743 S C 1.032 175.573 174.600 -0.099 0.000 1.128 743 S CA -0.915 57.267 58.200 -0.032 0.000 0.931 743 S CB 1.337 64.528 63.200 -0.015 0.000 1.177 743 S HN 0.485 nan 8.310 nan 0.000 0.530 744 E N 0.689 120.849 120.200 -0.067 0.000 2.049 744 E HA -0.186 4.179 4.350 0.024 0.000 0.198 744 E C 1.709 178.229 176.600 -0.132 0.000 1.007 744 E CA 1.924 58.275 56.400 -0.082 0.000 0.809 744 E CB -0.548 29.125 29.700 -0.045 0.000 0.749 744 E HN 0.787 nan 8.360 nan 0.000 0.450 745 M N -0.202 119.333 119.600 -0.109 0.000 2.509 745 M HA 0.234 4.729 4.480 0.024 0.000 0.250 745 M C -0.174 176.037 176.300 -0.149 0.000 1.132 745 M CA 0.445 55.680 55.300 -0.109 0.000 1.080 745 M CB 0.358 32.930 32.600 -0.047 0.000 1.408 745 M HN -0.276 nan 8.290 nan 0.000 0.484 746 D N -0.305 119.985 120.400 -0.183 0.000 2.661 746 D HA 0.412 5.067 4.640 0.024 0.000 0.228 746 D C -1.386 174.798 176.300 -0.194 0.000 1.183 746 D CA -0.291 53.621 54.000 -0.147 0.000 0.844 746 D CB 2.010 42.825 40.800 0.026 0.000 1.555 746 D HN 0.048 nan 8.370 nan 0.000 0.453 747 F N 0.730 120.768 119.950 0.147 0.000 2.411 747 F HA 0.357 4.899 4.527 0.024 0.000 0.352 747 F C 0.339 176.278 175.800 0.231 0.000 1.123 747 F CA -0.734 57.347 58.000 0.136 0.000 1.044 747 F CB 1.382 40.428 39.000 0.076 0.000 1.135 747 F HN 0.042 nan 8.300 nan 0.000 0.461 748 C N 5.168 124.693 119.300 0.375 0.000 2.379 748 C HA 0.739 5.214 4.460 0.024 0.000 0.323 748 C C -0.456 174.724 174.990 0.317 0.000 1.262 748 C CA -0.658 58.553 59.018 0.322 0.000 1.581 748 C CB 0.326 28.192 27.740 0.210 0.000 2.221 748 C HN 0.580 nan 8.230 nan 0.000 0.497 749 I N 4.261 125.066 120.570 0.391 0.000 2.436 749 I HA 0.424 4.608 4.170 0.024 0.000 0.289 749 I C -0.609 175.782 176.117 0.456 0.000 1.010 749 I CA -0.128 61.398 61.300 0.377 0.000 1.098 749 I CB 1.773 39.967 38.000 0.323 0.000 1.266 749 I HN 0.582 nan 8.210 nan 0.000 0.434 750 E N 6.693 127.109 120.200 0.360 0.000 2.199 750 E HA 0.776 5.141 4.350 0.024 0.000 0.269 750 E C -1.181 175.599 176.600 0.299 0.000 0.899 750 E CA -0.716 55.860 56.400 0.292 0.000 0.772 750 E CB 2.355 32.139 29.700 0.141 0.000 1.155 750 E HN 0.361 nan 8.360 nan 0.000 0.408 751 L N 2.439 123.842 121.223 0.300 0.000 2.620 751 L HA 0.577 4.931 4.340 0.024 0.000 0.261 751 L C 0.319 177.287 176.870 0.163 0.000 0.978 751 L CA 0.773 55.770 54.840 0.262 0.000 0.897 751 L CB 0.947 43.224 42.059 0.364 0.000 1.207 751 L HN 0.731 nan 8.230 nan 0.000 0.425 752 G N 4.186 113.041 108.800 0.092 0.000 2.531 752 G HA2 -0.370 3.605 3.960 0.024 0.000 0.274 752 G HA3 -0.370 3.605 3.960 0.024 0.000 0.274 752 G C 0.286 175.189 174.900 0.005 0.000 1.159 752 G CA 0.427 45.555 45.100 0.047 0.000 0.969 752 G HN 1.263 nan 8.290 nan 0.000 0.554 753 N N 1.229 119.917 118.700 -0.019 0.000 2.327 753 N HA 0.244 4.999 4.740 0.024 0.000 0.231 753 N C 0.116 175.569 175.510 -0.096 0.000 1.130 753 N CA 0.415 53.433 53.050 -0.053 0.000 0.845 753 N CB 0.427 38.883 38.487 -0.052 0.000 1.073 753 N HN 0.715 nan 8.380 nan 0.000 0.496 754 K N 0.230 120.559 120.400 -0.119 0.000 2.259 754 K HA 0.474 4.808 4.320 0.024 0.000 0.252 754 K C -0.719 175.693 176.600 -0.313 0.000 0.936 754 K CA -0.672 55.426 56.287 -0.315 0.000 0.810 754 K CB 2.478 34.681 32.500 -0.494 0.000 1.143 754 K HN 0.027 nan 8.250 nan 0.000 0.427 755 R N 2.069 122.324 120.500 -0.408 0.000 2.673 755 R HA 0.416 4.771 4.340 0.024 0.000 0.281 755 R C -1.572 174.671 176.300 -0.095 0.000 0.991 755 R CA -0.628 55.415 56.100 -0.094 0.000 0.896 755 R CB 1.311 31.555 30.300 -0.093 0.000 1.201 755 R HN 0.601 nan 8.270 nan 0.000 0.457 756 W N 2.794 124.218 121.300 0.207 0.000 2.915 756 W HA 0.352 5.027 4.660 0.024 0.000 0.337 756 W C -0.691 175.925 176.519 0.162 0.000 1.102 756 W CA -0.606 56.797 57.345 0.098 0.000 1.224 756 W CB 2.325 31.830 29.460 0.075 0.000 1.416 756 W HN 0.388 nan 8.180 nan 0.000 0.503 757 Q N 2.633 122.559 119.800 0.210 0.000 2.292 757 Q HA 0.373 4.728 4.340 0.024 0.000 0.270 757 Q C -1.975 173.962 176.000 -0.106 0.000 1.024 757 Q CA -0.516 55.408 55.803 0.201 0.000 0.768 757 Q CB 1.783 30.721 28.738 0.333 0.000 1.250 757 Q HN 0.400 nan 8.270 nan 0.000 0.447 758 F N 3.051 123.097 119.950 0.161 0.000 2.402 758 F HA 0.295 4.836 4.527 0.024 0.000 0.355 758 F C 0.672 176.515 175.800 0.072 0.000 1.123 758 F CA -0.878 57.186 58.000 0.107 0.000 1.021 758 F CB 1.061 40.127 39.000 0.111 0.000 1.160 758 F HN 0.423 nan 8.300 nan 0.000 0.451 759 N N 3.491 122.298 118.700 0.178 0.000 2.442 759 N HA 0.076 4.831 4.740 0.024 0.000 0.265 759 N C 0.907 176.448 175.510 0.052 0.000 1.138 759 N CA -0.006 53.097 53.050 0.089 0.000 0.956 759 N CB 0.739 39.284 38.487 0.096 0.000 1.067 759 N HN 0.644 nan 8.380 nan 0.000 0.474 760 R N 2.533 122.992 120.500 -0.069 0.000 2.280 760 R HA -0.044 4.310 4.340 0.024 0.000 0.207 760 R C 1.264 177.529 176.300 -0.058 0.000 1.043 760 R CA 1.041 57.064 56.100 -0.128 0.000 1.006 760 R CB 0.229 30.311 30.300 -0.364 0.000 0.885 760 R HN 0.673 nan 8.270 nan 0.000 0.467 761 Q N -0.389 119.397 119.800 -0.023 0.000 2.349 761 Q HA 0.007 4.362 4.340 0.024 0.000 0.209 761 Q C 2.094 178.106 176.000 0.020 0.000 0.920 761 Q CA 1.197 56.996 55.803 -0.006 0.000 0.901 761 Q CB 0.527 29.269 28.738 0.006 0.000 1.021 761 Q HN 0.324 nan 8.270 nan 0.000 0.519 762 S N -1.004 114.728 115.700 0.054 0.000 2.388 762 S HA 0.093 4.577 4.470 0.024 0.000 0.223 762 S C 1.600 176.176 174.600 -0.040 0.000 1.034 762 S CA 0.822 59.082 58.200 0.100 0.000 0.963 762 S CB 0.181 63.522 63.200 0.236 0.000 0.827 762 S HN 0.462 nan 8.310 nan 0.000 0.481 763 G N 0.334 109.107 108.800 -0.044 0.000 2.141 763 G HA2 -0.195 3.779 3.960 0.024 0.000 0.242 763 G HA3 -0.195 3.779 3.960 0.024 0.000 0.242 763 G C -0.095 174.705 174.900 -0.167 0.000 0.982 763 G CA 0.195 45.235 45.100 -0.100 0.000 0.662 763 G HN 0.525 nan 8.290 nan 0.000 0.527 764 F N -1.093 119.042 119.950 0.309 0.000 2.523 764 F HA 0.678 5.220 4.527 0.024 0.000 0.329 764 F C 0.550 176.422 175.800 0.120 0.000 1.061 764 F CA -1.399 56.754 58.000 0.255 0.000 0.967 764 F CB 1.443 40.534 39.000 0.153 0.000 1.218 764 F HN 0.014 nan 8.300 nan 0.000 0.480 765 L N 1.959 123.310 121.223 0.214 0.000 2.515 765 L HA 0.170 4.524 4.340 0.024 0.000 0.281 765 L C 0.893 177.689 176.870 -0.123 0.000 1.131 765 L CA 0.417 55.032 54.840 -0.375 0.000 0.905 765 L CB 0.111 41.892 42.059 -0.464 0.000 1.246 765 L HN 0.684 nan 8.230 nan 0.000 0.463 766 S N 2.448 118.076 115.700 -0.121 0.000 2.478 766 S HA 0.180 4.665 4.470 0.024 0.000 0.222 766 S C 0.622 175.105 174.600 -0.195 0.000 1.008 766 S CA -0.019 58.137 58.200 -0.074 0.000 0.928 766 S CB -0.012 63.186 63.200 -0.002 0.000 0.781 766 S HN 0.660 nan 8.310 nan 0.000 0.518 767 Q N -0.172 119.444 119.800 -0.307 0.000 2.426 767 Q HA 0.593 4.948 4.340 0.024 0.000 0.278 767 Q C -1.925 173.698 176.000 -0.630 0.000 1.007 767 Q CA -0.334 55.121 55.803 -0.580 0.000 0.850 767 Q CB 1.735 29.931 28.738 -0.905 0.000 1.427 767 Q HN 0.238 nan 8.270 nan 0.000 0.391 768 M N 3.142 122.266 119.600 -0.794 0.000 2.267 768 M HA 0.511 5.006 4.480 0.024 0.000 0.289 768 M C -1.947 173.982 176.300 -0.619 0.000 1.043 768 M CA -0.046 54.881 55.300 -0.622 0.000 0.928 768 M CB 1.402 33.638 32.600 -0.607 0.000 1.613 768 M HN 0.749 nan 8.290 nan 0.000 0.450 769 W N 5.580 126.640 121.300 -0.400 0.000 2.761 769 W HA 0.574 5.248 4.660 0.025 0.000 0.340 769 W C -0.880 175.438 176.519 -0.336 0.000 1.072 769 W CA -0.782 56.389 57.345 -0.290 0.000 1.215 769 W CB 1.704 31.041 29.460 -0.205 0.000 1.420 769 W HN 0.489 nan 8.180 nan 0.000 0.519 770 I N 2.931 123.489 120.570 -0.020 0.000 2.405 770 I HA 0.398 4.583 4.170 0.024 0.000 0.280 770 I C 0.777 176.874 176.117 -0.033 0.000 1.027 770 I CA 0.304 61.550 61.300 -0.090 0.000 1.161 770 I CB 0.833 38.750 38.000 -0.138 0.000 1.300 770 I HN 0.766 nan 8.210 nan 0.000 0.463 771 G N 5.828 114.604 108.800 -0.040 0.000 2.509 771 G HA2 -0.291 3.684 3.960 0.024 0.000 0.259 771 G HA3 -0.291 3.684 3.960 0.024 0.000 0.259 771 G C 0.192 175.091 174.900 -0.001 0.000 1.169 771 G CA 0.371 45.451 45.100 -0.033 0.000 0.953 771 G HN 0.754 nan 8.290 nan 0.000 0.563 772 D N 0.736 121.146 120.400 0.017 0.000 2.427 772 D HA 0.257 4.912 4.640 0.024 0.000 0.224 772 D C 0.202 176.620 176.300 0.198 0.000 1.157 772 D CA 0.039 54.075 54.000 0.060 0.000 0.828 772 D CB 0.243 41.046 40.800 0.004 0.000 0.974 772 D HN 0.302 nan 8.370 nan 0.000 0.498 773 K N 1.192 121.683 120.400 0.151 0.000 2.253 773 K HA 0.287 4.622 4.320 0.024 0.000 0.277 773 K C 0.169 176.770 176.600 0.001 0.000 1.053 773 K CA -0.490 55.844 56.287 0.080 0.000 0.892 773 K CB 1.501 33.999 32.500 -0.004 0.000 1.102 773 K HN 0.039 nan 8.250 nan 0.000 0.469 774 K N 2.135 122.448 120.400 -0.145 0.000 2.448 774 K HA 0.003 4.338 4.320 0.024 0.000 0.278 774 K C 1.098 177.511 176.600 -0.312 0.000 1.009 774 K CA 0.120 56.093 56.287 -0.522 0.000 0.995 774 K CB 0.588 32.818 32.500 -0.449 0.000 0.917 774 K HN 0.331 nan 8.250 nan 0.000 0.481 775 Q N 1.618 121.215 119.800 -0.338 0.000 2.378 775 Q HA 0.169 4.524 4.340 0.024 0.000 0.216 775 Q C 0.046 175.989 176.000 -0.096 0.000 0.892 775 Q CA 0.426 56.155 55.803 -0.123 0.000 0.931 775 Q CB 0.488 29.199 28.738 -0.045 0.000 1.086 775 Q HN 0.510 nan 8.270 nan 0.000 0.528 776 L N 0.692 121.787 121.223 -0.214 0.000 2.334 776 L HA 0.365 4.719 4.340 0.024 0.000 0.276 776 L C 1.020 177.764 176.870 -0.209 0.000 1.014 776 L CA -0.367 54.361 54.840 -0.187 0.000 0.815 776 L CB 1.562 43.500 42.059 -0.202 0.000 1.268 776 L HN -0.062 nan 8.230 nan 0.000 0.428 777 L N 0.552 121.641 121.223 -0.222 0.000 2.408 777 L HA 0.222 4.576 4.340 0.024 0.000 0.215 777 L C 0.084 176.843 176.870 -0.185 0.000 1.081 777 L CA 0.669 55.383 54.840 -0.211 0.000 0.840 777 L CB 0.468 42.384 42.059 -0.238 0.000 1.002 777 L HN 0.636 nan 8.230 nan 0.000 0.468 778 T N -0.697 113.733 114.554 -0.207 0.000 2.916 778 T HA 0.390 4.755 4.350 0.024 0.000 0.305 778 T C -2.610 172.029 174.700 -0.102 0.000 1.119 778 T CA -1.127 60.901 62.100 -0.121 0.000 1.008 778 T CB 2.432 71.230 68.868 -0.118 0.000 1.129 778 T HN -0.296 nan 8.240 nan 0.000 0.480 779 P HA 0.179 nan 4.420 nan 0.000 0.270 779 P C -0.680 176.591 177.300 -0.049 0.000 1.227 779 P CA -0.676 62.400 63.100 -0.040 0.000 0.788 779 P CB 0.403 32.111 31.700 0.014 0.000 0.926 780 L N 2.585 123.820 121.223 0.021 0.000 2.283 780 L HA 0.295 4.650 4.340 0.024 0.000 0.287 780 L C 0.042 176.884 176.870 -0.047 0.000 1.073 780 L CA 0.477 55.359 54.840 0.071 0.000 0.822 780 L CB -0.341 41.866 42.059 0.246 0.000 1.186 780 L HN 0.249 nan 8.230 nan 0.000 0.436 781 R N 3.080 123.450 120.500 -0.217 0.000 2.750 781 R HA 0.422 4.776 4.340 0.024 0.000 0.281 781 R C -0.977 175.194 176.300 -0.216 0.000 0.972 781 R CA -1.051 54.746 56.100 -0.504 0.000 0.912 781 R CB 1.439 31.335 30.300 -0.673 0.000 1.187 781 R HN 0.594 nan 8.270 nan 0.000 0.464 782 D N 1.395 121.739 120.400 -0.093 0.000 2.400 782 D HA 0.015 4.670 4.640 0.024 0.000 0.238 782 D C -0.286 175.666 176.300 -0.580 0.000 1.157 782 D CA 0.527 54.359 54.000 -0.279 0.000 0.889 782 D CB 0.650 41.253 40.800 -0.328 0.000 1.199 782 D HN 0.231 nan 8.370 nan 0.000 0.436 783 Q N 0.900 120.155 119.800 -0.909 0.000 2.289 783 Q HA 0.363 4.717 4.340 0.024 0.000 0.270 783 Q C -1.320 173.954 176.000 -1.210 0.000 1.038 783 Q CA -0.597 54.708 55.803 -0.830 0.000 0.812 783 Q CB 0.856 29.322 28.738 -0.454 0.000 1.300 783 Q HN 0.555 nan 8.270 nan 0.000 0.427 784 F N 0.872 120.475 119.950 -0.578 0.000 2.729 784 F HA 0.225 4.766 4.527 0.024 0.000 0.315 784 F C 0.385 175.771 175.800 -0.690 0.000 1.102 784 F CA -0.171 57.372 58.000 -0.761 0.000 1.204 784 F CB 1.628 39.885 39.000 -1.239 0.000 1.052 784 F HN 0.480 nan 8.300 nan 0.000 0.551 785 T N -1.035 113.225 114.554 -0.490 0.000 2.865 785 T HA 0.763 5.128 4.350 0.024 0.000 0.294 785 T C -0.672 173.780 174.700 -0.414 0.000 1.119 785 T CA -1.055 60.679 62.100 -0.610 0.000 1.007 785 T CB 2.770 71.208 68.868 -0.717 0.000 1.225 785 T HN 0.226 nan 8.240 nan 0.000 0.515 786 R N -0.105 120.186 120.500 -0.348 0.000 2.795 786 R HA 0.800 5.155 4.340 0.024 0.000 0.275 786 R C -0.697 175.647 176.300 0.074 0.000 0.981 786 R CA -1.256 54.773 56.100 -0.118 0.000 0.917 786 R CB 1.565 31.806 30.300 -0.099 0.000 1.202 786 R HN 0.830 nan 8.270 nan 0.000 0.469 787 A N 3.327 126.178 122.820 0.052 0.000 2.484 787 A HA 0.277 4.611 4.320 0.024 0.000 0.268 787 A C -1.991 175.653 177.584 0.099 0.000 1.114 787 A CA -1.331 50.739 52.037 0.056 0.000 0.780 787 A CB -0.507 18.471 19.000 -0.036 0.000 1.061 787 A HN 0.550 nan 8.150 nan 0.000 0.505 788 P HA 0.045 nan 4.420 nan 0.000 0.262 788 P C -0.135 177.279 177.300 0.190 0.000 1.182 788 P CA 0.530 63.783 63.100 0.254 0.000 0.761 788 P CB 0.291 32.172 31.700 0.301 0.000 0.795 789 L N 2.644 123.948 121.223 0.135 0.000 2.475 789 L HA 0.135 4.489 4.340 0.024 0.000 0.253 789 L C 1.895 178.793 176.870 0.047 0.000 1.198 789 L CA -0.405 54.455 54.840 0.033 0.000 0.814 789 L CB -0.017 41.993 42.059 -0.082 0.000 1.134 789 L HN 0.316 nan 8.230 nan 0.000 0.478 790 D N 0.359 120.722 120.400 -0.062 0.000 2.104 790 D HA -0.168 4.487 4.640 0.024 0.000 0.194 790 D C 1.628 177.863 176.300 -0.109 0.000 0.994 790 D CA 1.485 55.373 54.000 -0.188 0.000 0.830 790 D CB 0.017 40.620 40.800 -0.328 0.000 0.959 790 D HN 0.477 nan 8.370 nan 0.000 0.452 791 N N 1.129 119.780 118.700 -0.081 0.000 2.289 791 N HA -0.117 4.638 4.740 0.024 0.000 0.184 791 N C 1.153 176.687 175.510 0.040 0.000 1.016 791 N CA 0.778 53.811 53.050 -0.028 0.000 0.872 791 N CB -0.202 38.254 38.487 -0.051 0.000 0.973 791 N HN 0.283 nan 8.380 nan 0.000 0.433 792 D N 0.127 120.566 120.400 0.064 0.000 2.234 792 D HA 0.061 4.715 4.640 0.024 0.000 0.205 792 D C 1.982 178.346 176.300 0.106 0.000 0.962 792 D CA 0.317 54.394 54.000 0.129 0.000 0.855 792 D CB 0.174 41.121 40.800 0.244 0.000 0.951 792 D HN 0.324 nan 8.370 nan 0.000 0.500 793 I N 0.397 121.012 120.570 0.075 0.000 2.339 793 I HA 0.045 4.230 4.170 0.024 0.000 0.245 793 I C 1.827 177.982 176.117 0.063 0.000 1.096 793 I CA 0.710 62.043 61.300 0.055 0.000 1.408 793 I CB -0.397 37.606 38.000 0.005 0.000 1.092 793 I HN 0.057 nan 8.210 nan 0.000 0.423 794 G N 1.270 110.125 108.800 0.092 0.000 2.574 794 G HA2 -0.347 3.628 3.960 0.024 0.000 0.286 794 G HA3 -0.347 3.628 3.960 0.024 0.000 0.286 794 G C 0.740 175.814 174.900 0.291 0.000 1.212 794 G CA 0.866 46.081 45.100 0.192 0.000 0.979 794 G HN 0.554 nan 8.290 nan 0.000 0.557 795 V N -1.663 118.354 119.914 0.171 0.000 3.623 795 V HA 0.533 4.668 4.120 0.024 0.000 0.271 795 V C 1.502 177.620 176.094 0.041 0.000 1.248 795 V CA 1.499 63.842 62.300 0.071 0.000 1.156 795 V CB -0.086 31.693 31.823 -0.074 0.000 0.870 795 V HN 1.496 nan 8.190 nan 0.000 0.453 796 S N 1.105 116.830 115.700 0.042 0.000 2.558 796 S HA 0.150 4.634 4.470 0.024 0.000 0.293 796 S C -0.109 174.508 174.600 0.028 0.000 1.292 796 S CA 0.238 58.450 58.200 0.019 0.000 1.063 796 S CB 0.141 63.349 63.200 0.014 0.000 0.831 796 S HN 0.833 nan 8.310 nan 0.000 0.499 797 E N 2.069 122.279 120.200 0.017 0.000 2.292 797 E HA 0.612 4.977 4.350 0.024 0.000 0.272 797 E C 0.549 177.163 176.600 0.022 0.000 0.881 797 E CA -0.207 56.208 56.400 0.024 0.000 0.754 797 E CB 1.453 31.161 29.700 0.014 0.000 1.201 797 E HN 0.629 nan 8.360 nan 0.000 0.425 798 A N 2.112 124.951 122.820 0.031 0.000 1.940 798 A HA -0.260 4.075 4.320 0.024 0.000 0.221 798 A C 2.031 179.629 177.584 0.023 0.000 1.190 798 A CA 2.698 54.753 52.037 0.029 0.000 0.647 798 A CB -1.045 17.977 19.000 0.038 0.000 0.821 798 A HN 0.693 nan 8.150 nan 0.000 0.457 799 T N -3.942 110.625 114.554 0.022 0.000 3.088 799 T HA 0.093 4.457 4.350 0.024 0.000 0.259 799 T C 0.866 175.570 174.700 0.006 0.000 1.122 799 T CA 0.717 62.826 62.100 0.016 0.000 1.095 799 T CB -0.093 68.786 68.868 0.019 0.000 0.930 799 T HN 0.304 nan 8.240 nan 0.000 0.508 800 R N 0.926 121.427 120.500 0.002 0.000 3.179 800 R HA 0.264 4.619 4.340 0.024 0.000 0.231 800 R C -1.471 174.822 176.300 -0.011 0.000 1.796 800 R CA -0.597 55.497 56.100 -0.009 0.000 1.233 800 R CB 0.406 30.694 30.300 -0.020 0.000 1.545 800 R HN 0.229 nan 8.270 nan 0.000 0.552 801 I N 1.947 122.512 120.570 -0.007 0.000 2.710 801 I HA -0.060 4.124 4.170 0.024 0.000 0.286 801 I C 0.769 176.873 176.117 -0.023 0.000 1.181 801 I CA -0.086 61.208 61.300 -0.009 0.000 1.430 801 I CB 0.383 38.380 38.000 -0.006 0.000 1.367 801 I HN 0.325 nan 8.210 nan 0.000 0.577 802 D N 9.058 129.442 120.400 -0.027 0.000 2.485 802 D HA 0.260 4.915 4.640 0.024 0.000 0.221 802 D C -1.760 174.503 176.300 -0.062 0.000 1.112 802 D CA -2.242 51.733 54.000 -0.042 0.000 0.911 802 D CB 1.158 41.936 40.800 -0.036 0.000 1.019 802 D HN 0.201 nan 8.370 nan 0.000 0.516 803 P HA -0.127 nan 4.420 nan 0.000 0.226 803 P C 0.916 178.133 177.300 -0.138 0.000 1.146 803 P CA 0.691 63.740 63.100 -0.085 0.000 0.773 803 P CB 0.154 31.811 31.700 -0.071 0.000 0.772 804 N N -0.317 118.296 118.700 -0.145 0.000 2.424 804 N HA 0.004 4.759 4.740 0.024 0.000 0.178 804 N C 0.517 175.851 175.510 -0.294 0.000 1.060 804 N CA -0.095 52.827 53.050 -0.214 0.000 0.901 804 N CB 0.027 38.415 38.487 -0.165 0.000 0.979 804 N HN -0.040 nan 8.380 nan 0.000 0.451 805 A N 0.449 123.143 122.820 -0.211 0.000 2.507 805 A HA -0.024 4.311 4.320 0.024 0.000 0.235 805 A C 0.654 178.034 177.584 -0.339 0.000 1.070 805 A CA -0.258 51.653 52.037 -0.211 0.000 0.768 805 A CB -0.186 18.767 19.000 -0.079 0.000 1.011 805 A HN 0.483 nan 8.150 nan 0.000 0.502 806 W N 1.327 122.392 121.300 -0.392 0.000 2.335 806 W HA -0.167 4.507 4.660 0.024 0.000 0.311 806 W C 2.265 178.250 176.519 -0.890 0.000 1.213 806 W CA 1.742 58.593 57.345 -0.823 0.000 1.274 806 W CB -0.394 28.443 29.460 -1.039 0.000 1.148 806 W HN 0.549 nan 8.180 nan 0.000 0.498 807 V N 0.926 120.754 119.914 -0.143 0.000 2.287 807 V HA -0.298 3.836 4.120 0.024 0.000 0.248 807 V C 2.201 178.389 176.094 0.158 0.000 1.053 807 V CA 2.239 64.656 62.300 0.196 0.000 1.027 807 V CB -0.398 31.560 31.823 0.225 0.000 0.646 807 V HN 0.102 nan 8.190 nan 0.000 0.447 808 E N -0.080 120.122 120.200 0.003 0.000 2.106 808 E HA -0.180 4.185 4.350 0.024 0.000 0.192 808 E C 2.311 178.889 176.600 -0.038 0.000 0.984 808 E CA 1.136 57.535 56.400 -0.003 0.000 0.806 808 E CB -0.360 29.311 29.700 -0.048 0.000 0.750 808 E HN 0.639 nan 8.360 nan 0.000 0.458 809 R N -0.127 120.272 120.500 -0.167 0.000 2.096 809 R HA -0.102 4.252 4.340 0.024 0.000 0.235 809 R C 2.272 178.519 176.300 -0.088 0.000 1.127 809 R CA 1.172 57.150 56.100 -0.203 0.000 0.968 809 R CB -0.177 29.875 30.300 -0.412 0.000 0.861 809 R HN 0.246 nan 8.270 nan 0.000 0.440 810 W N 1.659 122.939 121.300 -0.034 0.000 2.381 810 W HA -0.036 4.638 4.660 0.025 0.000 0.301 810 W C 1.884 178.406 176.519 0.005 0.000 1.205 810 W CA 0.620 57.855 57.345 -0.183 0.000 1.285 810 W CB -0.544 28.937 29.460 0.035 0.000 1.133 810 W HN 0.100 nan 8.180 nan 0.000 0.521 811 K N 0.312 120.953 120.400 0.401 0.000 2.002 811 K HA -0.100 4.235 4.320 0.024 0.000 0.209 811 K C 2.306 178.977 176.600 0.120 0.000 1.048 811 K CA 1.829 58.305 56.287 0.316 0.000 0.930 811 K CB -0.704 31.915 32.500 0.199 0.000 0.714 811 K HN -0.038 nan 8.250 nan 0.000 0.438 812 A N 1.513 124.373 122.820 0.066 0.000 1.940 812 A HA -0.131 4.204 4.320 0.024 0.000 0.219 812 A C 2.289 179.848 177.584 -0.041 0.000 1.176 812 A CA 1.868 53.917 52.037 0.020 0.000 0.631 812 A CB -0.695 18.308 19.000 0.006 0.000 0.814 812 A HN 0.360 nan 8.150 nan 0.000 0.446 813 A N -1.964 120.824 122.820 -0.054 0.000 2.209 813 A HA 0.360 4.695 4.320 0.024 0.000 0.212 813 A C 1.953 179.388 177.584 -0.248 0.000 1.158 813 A CA 1.362 53.359 52.037 -0.065 0.000 0.742 813 A CB -0.976 18.002 19.000 -0.037 0.000 0.790 813 A HN 1.928 nan 8.150 nan 0.000 0.472 814 G N -1.880 106.688 108.800 -0.386 0.000 2.176 814 G HA2 -0.329 3.646 3.960 0.024 0.000 0.253 814 G HA3 -0.329 3.646 3.960 0.024 0.000 0.253 814 G C 0.722 175.615 174.900 -0.012 0.000 0.979 814 G CA 0.714 45.381 45.100 -0.722 0.000 0.641 814 G HN 0.728 nan 8.290 nan 0.000 0.530 815 H N -1.100 117.945 119.070 -0.042 0.000 2.357 815 H HA -0.174 4.396 4.556 0.025 0.000 0.296 815 H C 2.116 177.423 175.328 -0.035 0.000 1.108 815 H CA 1.862 57.904 56.048 -0.011 0.000 1.273 815 H CB 0.007 29.705 29.762 -0.106 0.000 1.367 815 H HN 0.615 nan 8.280 nan 0.000 0.498 816 Y N -0.147 120.286 120.300 0.222 0.000 2.511 816 Y HA -0.034 4.530 4.550 0.024 0.000 0.279 816 Y C 1.831 177.826 175.900 0.157 0.000 1.157 816 Y CA 0.132 58.325 58.100 0.155 0.000 1.300 816 Y CB 0.548 39.082 38.460 0.123 0.000 1.052 816 Y HN 0.136 nan 8.280 nan 0.000 0.529 817 Q N -0.228 119.756 119.800 0.306 0.000 2.217 817 Q HA 0.335 4.690 4.340 0.024 0.000 0.217 817 Q C 0.671 176.856 176.000 0.309 0.000 0.844 817 Q CA 0.024 55.998 55.803 0.285 0.000 0.957 817 Q CB 0.297 29.206 28.738 0.284 0.000 1.127 817 Q HN 0.268 nan 8.270 nan 0.000 0.503 818 A N 2.635 125.657 122.820 0.336 0.000 2.531 818 A HA 0.118 4.453 4.320 0.024 0.000 0.236 818 A C 0.233 178.091 177.584 0.456 0.000 1.062 818 A CA 0.193 52.481 52.037 0.418 0.000 0.760 818 A CB 0.110 19.355 19.000 0.409 0.000 0.995 818 A HN 0.156 nan 8.150 nan 0.000 0.501 819 E N 1.830 122.222 120.200 0.320 0.000 2.158 819 E HA 0.552 4.917 4.350 0.024 0.000 0.271 819 E C -0.418 176.084 176.600 -0.163 0.000 0.911 819 E CA -0.650 55.830 56.400 0.133 0.000 0.767 819 E CB 1.520 31.281 29.700 0.101 0.000 1.120 819 E HN 0.674 nan 8.360 nan 0.000 0.405 820 A N 2.670 125.264 122.820 -0.377 0.000 2.492 820 A HA 0.473 4.807 4.320 0.024 0.000 0.254 820 A C -0.015 177.398 177.584 -0.285 0.000 1.091 820 A CA -0.020 51.552 52.037 -0.775 0.000 0.768 820 A CB 0.215 18.873 19.000 -0.571 0.000 1.028 820 A HN 0.709 nan 8.150 nan 0.000 0.498 821 A N 2.730 125.402 122.820 -0.247 0.000 2.318 821 A HA 0.598 4.933 4.320 0.024 0.000 0.324 821 A C -0.441 177.142 177.584 -0.001 0.000 1.170 821 A CA -0.557 51.439 52.037 -0.069 0.000 0.810 821 A CB 0.632 19.602 19.000 -0.049 0.000 1.198 821 A HN 1.293 nan 8.150 nan 0.000 0.484 822 L N 2.971 124.192 121.223 -0.003 0.000 2.331 822 L HA 0.420 4.775 4.340 0.024 0.000 0.278 822 L C 0.279 177.067 176.870 -0.136 0.000 1.106 822 L CA 0.184 54.937 54.840 -0.145 0.000 0.824 822 L CB 0.550 42.504 42.059 -0.175 0.000 1.142 822 L HN 0.766 nan 8.230 nan 0.000 0.443 823 L N 3.411 124.525 121.223 -0.183 0.000 2.537 823 L HA 0.360 4.714 4.340 0.024 0.000 0.224 823 L C 0.324 177.136 176.870 -0.096 0.000 1.065 823 L CA -0.001 54.784 54.840 -0.092 0.000 0.860 823 L CB 0.006 42.039 42.059 -0.042 0.000 1.086 823 L HN 0.705 nan 8.230 nan 0.000 0.482 824 Q N -0.183 119.524 119.800 -0.155 0.000 2.503 824 Q HA 0.228 4.583 4.340 0.024 0.000 0.268 824 Q C -2.188 173.749 176.000 -0.104 0.000 0.982 824 Q CA -0.428 55.319 55.803 -0.093 0.000 0.907 824 Q CB 2.760 31.466 28.738 -0.054 0.000 1.467 824 Q HN 0.026 nan 8.270 nan 0.000 0.394 825 C N 3.592 122.879 119.300 -0.022 0.000 2.919 825 C HA 0.693 5.168 4.460 0.024 0.000 0.337 825 C C -0.417 174.668 174.990 0.159 0.000 1.039 825 C CA 0.434 59.486 59.018 0.057 0.000 1.373 825 C CB 0.153 27.945 27.740 0.086 0.000 1.843 825 C HN 0.780 nan 8.230 nan 0.000 0.493 826 T N 2.006 116.567 114.554 0.011 0.000 2.940 826 T HA 0.919 5.284 4.350 0.024 0.000 0.288 826 T C -0.409 173.998 174.700 -0.489 0.000 1.045 826 T CA -0.399 61.626 62.100 -0.125 0.000 1.018 826 T CB 2.011 70.812 68.868 -0.112 0.000 1.151 826 T HN 1.499 nan 8.240 nan 0.000 0.529 827 A N 1.172 123.544 122.820 -0.746 0.000 2.427 827 A HA 0.733 5.067 4.320 0.024 0.000 0.298 827 A C -1.301 176.002 177.584 -0.468 0.000 1.036 827 A CA -0.718 50.804 52.037 -0.859 0.000 0.701 827 A CB 1.386 19.474 19.000 -1.521 0.000 1.250 827 A HN 0.861 nan 8.150 nan 0.000 0.412 828 D N 0.765 120.963 120.400 -0.337 0.000 2.581 828 D HA 0.606 5.261 4.640 0.024 0.000 0.232 828 D C -0.764 175.423 176.300 -0.188 0.000 1.143 828 D CA 0.052 53.922 54.000 -0.217 0.000 0.881 828 D CB 2.471 43.175 40.800 -0.159 0.000 1.500 828 D HN 0.625 nan 8.370 nan 0.000 0.458 829 T N -0.503 113.966 114.554 -0.142 0.000 2.794 829 T HA 0.707 5.072 4.350 0.024 0.000 0.280 829 T C 0.347 174.993 174.700 -0.089 0.000 0.987 829 T CA -0.678 61.351 62.100 -0.119 0.000 0.993 829 T CB 0.976 69.779 68.868 -0.109 0.000 0.939 829 T HN 0.184 nan 8.240 nan 0.000 0.449 830 L N 1.786 122.961 121.223 -0.080 0.000 2.347 830 L HA 0.679 5.033 4.340 0.024 0.000 0.268 830 L C 2.117 178.959 176.870 -0.047 0.000 1.019 830 L CA -1.472 53.332 54.840 -0.060 0.000 0.806 830 L CB 0.382 42.407 42.059 -0.057 0.000 1.339 830 L HN 0.775 nan 8.230 nan 0.000 0.463 831 A N 0.778 123.577 122.820 -0.035 0.000 1.884 831 A HA -0.226 4.109 4.320 0.024 0.000 0.219 831 A C 1.313 178.884 177.584 -0.021 0.000 1.197 831 A CA 2.413 54.435 52.037 -0.024 0.000 0.637 831 A CB -0.619 18.369 19.000 -0.018 0.000 0.827 831 A HN 0.934 nan 8.150 nan 0.000 0.450 832 D N -2.332 118.053 120.400 -0.025 0.000 2.479 832 D HA 0.554 5.209 4.640 0.024 0.000 0.218 832 D C 0.104 176.385 176.300 -0.032 0.000 1.177 832 D CA 0.689 54.676 54.000 -0.021 0.000 0.830 832 D CB -0.071 40.717 40.800 -0.020 0.000 1.014 832 D HN 0.547 nan 8.370 nan 0.000 0.503 833 A N -0.512 122.280 122.820 -0.047 0.000 2.581 833 A HA 0.639 4.973 4.320 0.024 0.000 0.290 833 A C -1.707 175.822 177.584 -0.092 0.000 1.119 833 A CA -0.700 51.296 52.037 -0.069 0.000 0.670 833 A CB 1.651 20.611 19.000 -0.067 0.000 1.280 833 A HN -0.006 nan 8.150 nan 0.000 0.425 834 V N 0.642 120.484 119.914 -0.121 0.000 2.495 834 V HA 0.628 4.763 4.120 0.024 0.000 0.298 834 V C -1.020 174.971 176.094 -0.172 0.000 1.031 834 V CA -0.410 61.799 62.300 -0.151 0.000 0.871 834 V CB 1.357 33.087 31.823 -0.157 0.000 0.988 834 V HN 0.856 nan 8.190 nan 0.000 0.432 835 L N 6.544 127.656 121.223 -0.186 0.000 2.349 835 L HA 0.675 5.030 4.340 0.024 0.000 0.278 835 L C -0.938 175.775 176.870 -0.263 0.000 0.996 835 L CA -0.023 54.709 54.840 -0.181 0.000 0.825 835 L CB 1.302 43.281 42.059 -0.133 0.000 1.243 835 L HN 0.408 nan 8.230 nan 0.000 0.412 836 I N 3.982 124.382 120.570 -0.284 0.000 2.377 836 I HA 0.495 4.679 4.170 0.024 0.000 0.293 836 I C 0.035 176.076 176.117 -0.126 0.000 0.987 836 I CA -0.287 60.791 61.300 -0.370 0.000 1.185 836 I CB 1.546 39.106 38.000 -0.733 0.000 1.341 836 I HN 0.574 nan 8.210 nan 0.000 0.455 837 T N 4.503 118.985 114.554 -0.119 0.000 2.824 837 T HA 0.655 5.020 4.350 0.024 0.000 0.282 837 T C 0.058 174.759 174.700 0.002 0.000 0.993 837 T CA -0.561 61.523 62.100 -0.027 0.000 0.967 837 T CB 1.896 70.730 68.868 -0.056 0.000 0.960 837 T HN 0.786 nan 8.240 nan 0.000 0.441 838 T N -0.534 114.054 114.554 0.057 0.000 2.906 838 T HA 0.874 5.239 4.350 0.024 0.000 0.295 838 T C -1.164 173.524 174.700 -0.020 0.000 1.061 838 T CA -1.018 61.086 62.100 0.006 0.000 1.000 838 T CB 1.976 70.894 68.868 0.084 0.000 1.103 838 T HN 0.805 nan 8.240 nan 0.000 0.486 839 A N 1.722 124.443 122.820 -0.166 0.000 2.459 839 A HA 0.766 5.101 4.320 0.024 0.000 0.296 839 A C -1.400 176.005 177.584 -0.298 0.000 1.039 839 A CA -0.768 51.218 52.037 -0.085 0.000 0.698 839 A CB 0.895 19.885 19.000 -0.017 0.000 1.261 839 A HN 1.040 nan 8.150 nan 0.000 0.405 840 H N 0.080 119.211 119.070 0.102 0.000 2.865 840 H HA 0.685 5.256 4.556 0.024 0.000 0.362 840 H C -0.109 175.283 175.328 0.106 0.000 1.114 840 H CA 0.176 56.219 56.048 -0.009 0.000 1.208 840 H CB 2.135 31.840 29.762 -0.094 0.000 1.727 840 H HN 1.008 nan 8.280 nan 0.000 0.534 841 A N 2.541 125.427 122.820 0.110 0.000 2.337 841 A HA 0.429 4.763 4.320 0.024 0.000 0.329 841 A C -1.224 176.373 177.584 0.021 0.000 1.146 841 A CA -0.663 51.490 52.037 0.193 0.000 0.800 841 A CB 1.069 20.139 19.000 0.117 0.000 1.220 841 A HN 0.637 nan 8.150 nan 0.000 0.472 842 W N 2.027 123.436 121.300 0.181 0.000 2.361 842 W HA 0.418 5.093 4.660 0.025 0.000 0.314 842 W C -0.576 175.952 176.519 0.014 0.000 1.041 842 W CA -0.125 57.314 57.345 0.157 0.000 1.241 842 W CB 1.683 31.289 29.460 0.243 0.000 1.279 842 W HN 0.810 nan 8.180 nan 0.000 0.436 843 Q N 1.605 121.529 119.800 0.207 0.000 2.458 843 Q HA 0.456 4.811 4.340 0.024 0.000 0.282 843 Q C -0.816 175.302 176.000 0.197 0.000 1.106 843 Q CA -0.862 55.025 55.803 0.140 0.000 0.814 843 Q CB 3.517 32.303 28.738 0.079 0.000 1.425 843 Q HN 0.346 nan 8.270 nan 0.000 0.437 844 H N 1.414 120.514 119.070 0.051 0.000 2.966 844 H HA 0.090 4.660 4.556 0.025 0.000 0.347 844 H C -0.923 174.435 175.328 0.049 0.000 1.048 844 H CA -0.320 55.768 56.048 0.066 0.000 1.295 844 H CB 1.234 31.046 29.762 0.082 0.000 1.744 844 H HN 0.601 nan 8.280 nan 0.000 0.513 845 Q N 3.082 122.592 119.800 -0.484 0.000 2.406 845 Q HA -0.181 4.174 4.340 0.024 0.000 0.339 845 Q C 1.161 177.102 176.000 -0.097 0.000 1.337 845 Q CA 1.566 57.181 55.803 -0.314 0.000 0.985 845 Q CB -1.938 26.571 28.738 -0.382 0.000 1.216 845 Q HN 1.153 nan 8.270 nan 0.000 0.415 846 G N -1.074 107.696 108.800 -0.050 0.000 2.168 846 G HA2 -0.398 3.577 3.960 0.024 0.000 0.263 846 G HA3 -0.398 3.577 3.960 0.024 0.000 0.263 846 G C 0.090 175.000 174.900 0.017 0.000 0.977 846 G CA 0.754 45.849 45.100 -0.008 0.000 0.659 846 G HN 0.602 nan 8.290 nan 0.000 0.533 847 K N 0.454 120.877 120.400 0.037 0.000 2.207 847 K HA 0.631 4.965 4.320 0.024 0.000 0.255 847 K C -0.215 176.407 176.600 0.036 0.000 0.941 847 K CA -0.426 55.886 56.287 0.042 0.000 0.825 847 K CB 1.173 33.707 32.500 0.057 0.000 1.119 847 K HN -0.039 nan 8.250 nan 0.000 0.430 848 T N 5.467 120.034 114.554 0.022 0.000 2.738 848 T HA 0.171 4.536 4.350 0.024 0.000 0.294 848 T C 1.159 175.820 174.700 -0.066 0.000 0.914 848 T CA -0.364 61.746 62.100 0.017 0.000 1.052 848 T CB 0.266 69.163 68.868 0.048 0.000 0.897 848 T HN 0.538 nan 8.240 nan 0.000 0.522 849 L N 2.575 123.665 121.223 -0.222 0.000 2.071 849 L HA 0.289 4.644 4.340 0.024 0.000 0.201 849 L C 0.093 176.522 176.870 -0.735 0.000 1.076 849 L CA 1.106 55.551 54.840 -0.658 0.000 0.755 849 L CB -0.019 41.290 42.059 -1.250 0.000 0.915 849 L HN 0.529 nan 8.230 nan 0.000 0.445 850 F N -1.327 118.577 119.950 -0.076 0.000 2.599 850 F HA 0.575 5.117 4.527 0.024 0.000 0.311 850 F C -0.443 175.464 175.800 0.179 0.000 1.076 850 F CA -0.825 57.075 58.000 -0.166 0.000 0.937 850 F CB 2.081 40.575 39.000 -0.843 0.000 1.282 850 F HN -0.307 nan 8.300 nan 0.000 0.460 851 I N 1.297 122.097 120.570 0.383 0.000 2.498 851 I HA 0.341 4.526 4.170 0.024 0.000 0.290 851 I C -0.887 175.495 176.117 0.442 0.000 1.032 851 I CA -0.504 61.056 61.300 0.435 0.000 1.073 851 I CB 2.260 40.421 38.000 0.267 0.000 1.251 851 I HN 0.552 nan 8.210 nan 0.000 0.426 852 S N 6.882 122.950 115.700 0.613 0.000 2.530 852 S HA 0.555 5.040 4.470 0.024 0.000 0.322 852 S C -0.665 174.172 174.600 0.396 0.000 1.085 852 S CA -0.710 57.809 58.200 0.531 0.000 1.096 852 S CB 0.489 64.143 63.200 0.757 0.000 0.988 852 S HN 0.524 nan 8.310 nan 0.000 0.466 853 R N 3.742 124.392 120.500 0.250 0.000 2.387 853 R HA 0.538 4.893 4.340 0.024 0.000 0.314 853 R C -0.664 175.696 176.300 0.101 0.000 0.958 853 R CA -0.773 55.426 56.100 0.165 0.000 0.846 853 R CB 1.709 32.079 30.300 0.117 0.000 1.147 853 R HN 0.539 nan 8.270 nan 0.000 0.447 854 K N 0.970 121.418 120.400 0.079 0.000 2.395 854 K HA 0.464 4.798 4.320 0.024 0.000 0.247 854 K C -0.570 175.982 176.600 -0.079 0.000 0.973 854 K CA -0.898 55.359 56.287 -0.051 0.000 0.828 854 K CB 2.492 34.937 32.500 -0.092 0.000 1.272 854 K HN 0.636 nan 8.250 nan 0.000 0.439 855 T N -1.323 113.097 114.554 -0.224 0.000 2.893 855 T HA 0.550 4.914 4.350 0.024 0.000 0.293 855 T C -1.342 173.166 174.700 -0.319 0.000 1.027 855 T CA -0.750 61.255 62.100 -0.157 0.000 0.988 855 T CB 0.499 69.320 68.868 -0.077 0.000 1.043 855 T HN 0.422 nan 8.240 nan 0.000 0.461 856 Y N 0.922 121.166 120.300 -0.093 0.000 2.338 856 Y HA 0.614 5.178 4.550 0.025 0.000 0.333 856 Y C 0.450 176.260 175.900 -0.150 0.000 0.968 856 Y CA -1.089 56.960 58.100 -0.084 0.000 1.123 856 Y CB 1.902 40.303 38.460 -0.098 0.000 1.165 856 Y HN 0.575 nan 8.280 nan 0.000 0.452 857 R N 3.825 124.336 120.500 0.018 0.000 2.337 857 R HA 0.600 4.955 4.340 0.024 0.000 0.319 857 R C -1.683 174.553 176.300 -0.106 0.000 0.954 857 R CA -0.808 55.258 56.100 -0.057 0.000 0.840 857 R CB 0.675 30.951 30.300 -0.041 0.000 1.164 857 R HN 0.660 nan 8.270 nan 0.000 0.472 858 I N 4.592 125.042 120.570 -0.200 0.000 2.339 858 I HA 0.162 4.346 4.170 0.024 0.000 0.290 858 I C 0.017 176.012 176.117 -0.205 0.000 0.994 858 I CA -0.405 60.697 61.300 -0.330 0.000 1.191 858 I CB 1.383 38.966 38.000 -0.695 0.000 1.343 858 I HN 0.565 nan 8.210 nan 0.000 0.458 859 D N 3.839 124.156 120.400 -0.138 0.000 2.494 859 D HA 0.322 4.977 4.640 0.024 0.000 0.259 859 D C 1.294 177.575 176.300 -0.031 0.000 1.109 859 D CA -0.832 53.126 54.000 -0.070 0.000 1.040 859 D CB 0.741 41.517 40.800 -0.040 0.000 1.175 859 D HN 0.471 nan 8.370 nan 0.000 0.584 860 G N -1.042 107.753 108.800 -0.008 0.000 2.527 860 G HA2 -0.219 3.755 3.960 0.024 0.000 0.219 860 G HA3 -0.219 3.755 3.960 0.024 0.000 0.219 860 G C 1.152 176.075 174.900 0.037 0.000 1.117 860 G CA 1.211 46.324 45.100 0.022 0.000 0.759 860 G HN 0.567 nan 8.290 nan 0.000 0.556 861 S N -1.192 114.522 115.700 0.023 0.000 2.548 861 S HA 0.372 4.857 4.470 0.024 0.000 0.215 861 S C 1.851 176.507 174.600 0.093 0.000 0.976 861 S CA 0.931 59.155 58.200 0.040 0.000 0.908 861 S CB 0.084 63.296 63.200 0.019 0.000 0.781 861 S HN 1.464 nan 8.310 nan 0.000 0.519 862 G N 0.291 109.154 108.800 0.105 0.000 2.159 862 G HA2 -0.263 3.712 3.960 0.024 0.000 0.256 862 G HA3 -0.263 3.712 3.960 0.024 0.000 0.256 862 G C -0.156 174.871 174.900 0.212 0.000 0.977 862 G CA 0.180 45.418 45.100 0.229 0.000 0.652 862 G HN 0.606 nan 8.290 nan 0.000 0.531 863 Q N -0.451 119.407 119.800 0.097 0.000 2.259 863 Q HA 0.712 5.067 4.340 0.024 0.000 0.249 863 Q C 0.392 176.412 176.000 0.033 0.000 0.914 863 Q CA -0.248 55.622 55.803 0.111 0.000 0.904 863 Q CB 1.109 29.904 28.738 0.094 0.000 1.213 863 Q HN 0.432 nan 8.270 nan 0.000 0.428 864 M N 2.256 121.922 119.600 0.111 0.000 2.114 864 M HA 0.579 5.074 4.480 0.024 0.000 0.332 864 M C -1.425 174.971 176.300 0.160 0.000 1.014 864 M CA -0.582 54.753 55.300 0.058 0.000 0.956 864 M CB 0.925 33.591 32.600 0.110 0.000 1.551 864 M HN 0.692 nan 8.290 nan 0.000 0.427 865 A N 7.130 130.007 122.820 0.094 0.000 2.260 865 A HA 0.659 4.994 4.320 0.024 0.000 0.308 865 A C -0.738 176.879 177.584 0.055 0.000 1.254 865 A CA -0.624 51.468 52.037 0.092 0.000 0.874 865 A CB 0.144 19.176 19.000 0.054 0.000 1.153 865 A HN 0.915 nan 8.150 nan 0.000 0.527 866 I N 2.559 123.154 120.570 0.042 0.000 2.339 866 I HA 0.317 4.502 4.170 0.024 0.000 0.290 866 I C -0.134 175.879 176.117 -0.173 0.000 0.994 866 I CA -0.175 61.051 61.300 -0.124 0.000 1.191 866 I CB 1.934 39.899 38.000 -0.059 0.000 1.343 866 I HN 0.485 nan 8.210 nan 0.000 0.458 867 T N 5.819 120.225 114.554 -0.246 0.000 2.807 867 T HA 0.506 4.870 4.350 0.024 0.000 0.279 867 T C -0.290 174.214 174.700 -0.327 0.000 0.993 867 T CA -0.456 61.510 62.100 -0.224 0.000 0.970 867 T CB 1.929 70.765 68.868 -0.053 0.000 0.950 867 T HN 0.224 nan 8.240 nan 0.000 0.441 868 V N 3.849 123.446 119.914 -0.528 0.000 2.407 868 V HA 0.431 4.566 4.120 0.024 0.000 0.291 868 V C -0.605 175.324 176.094 -0.275 0.000 1.018 868 V CA -0.940 61.059 62.300 -0.501 0.000 0.842 868 V CB 1.690 32.943 31.823 -0.950 0.000 0.996 868 V HN 0.829 nan 8.190 nan 0.000 0.426 869 D N 3.779 124.175 120.400 -0.006 0.000 2.381 869 D HA 0.549 5.203 4.640 0.024 0.000 0.235 869 D C -0.800 175.615 176.300 0.190 0.000 1.068 869 D CA -0.077 54.014 54.000 0.151 0.000 0.832 869 D CB 2.727 43.640 40.800 0.187 0.000 1.101 869 D HN 0.271 nan 8.370 nan 0.000 0.515 870 V N 2.401 122.464 119.914 0.249 0.000 2.680 870 V HA 0.300 4.434 4.120 0.024 0.000 0.309 870 V C 0.014 176.243 176.094 0.224 0.000 1.052 870 V CA -0.713 61.747 62.300 0.267 0.000 0.908 870 V CB 2.612 34.632 31.823 0.328 0.000 1.001 870 V HN 0.373 nan 8.190 nan 0.000 0.431 871 E N 2.223 122.542 120.200 0.198 0.000 2.199 871 E HA 0.655 5.020 4.350 0.024 0.000 0.269 871 E C -1.628 175.079 176.600 0.178 0.000 0.899 871 E CA -0.563 55.934 56.400 0.161 0.000 0.772 871 E CB 2.543 32.330 29.700 0.144 0.000 1.155 871 E HN 0.404 nan 8.360 nan 0.000 0.408 872 V N 2.293 122.315 119.914 0.179 0.000 2.443 872 V HA 0.330 4.464 4.120 0.024 0.000 0.293 872 V C 0.029 176.221 176.094 0.163 0.000 1.021 872 V CA -0.945 61.487 62.300 0.219 0.000 0.848 872 V CB 1.392 33.375 31.823 0.267 0.000 0.998 872 V HN 0.851 nan 8.190 nan 0.000 0.424 873 A N 3.654 126.536 122.820 0.103 0.000 2.584 873 A HA 0.224 4.559 4.320 0.024 0.000 0.239 873 A C 1.694 179.352 177.584 0.123 0.000 1.043 873 A CA 0.731 52.815 52.037 0.080 0.000 0.756 873 A CB 0.212 19.227 19.000 0.025 0.000 0.963 873 A HN 1.402 nan 8.150 nan 0.000 0.511 874 S N 1.305 117.071 115.700 0.110 0.000 2.399 874 S HA -0.180 4.305 4.470 0.024 0.000 0.231 874 S C 0.940 175.615 174.600 0.125 0.000 1.022 874 S CA 1.377 59.657 58.200 0.133 0.000 0.983 874 S CB -0.341 62.917 63.200 0.097 0.000 0.803 874 S HN 0.852 nan 8.310 nan 0.000 0.480 875 D N 0.598 121.049 120.400 0.085 0.000 2.325 875 D HA 0.145 4.799 4.640 0.024 0.000 0.225 875 D C 0.495 176.830 176.300 0.059 0.000 1.096 875 D CA 0.041 54.075 54.000 0.057 0.000 0.844 875 D CB -0.375 40.447 40.800 0.037 0.000 0.925 875 D HN 0.343 nan 8.370 nan 0.000 0.513 876 T N 1.098 115.715 114.554 0.104 0.000 2.928 876 T HA 0.420 4.785 4.350 0.024 0.000 0.284 876 T C -2.633 172.170 174.700 0.172 0.000 1.008 876 T CA -2.014 60.170 62.100 0.140 0.000 1.057 876 T CB 1.292 70.263 68.868 0.171 0.000 1.018 876 T HN -0.153 nan 8.240 nan 0.000 0.493 877 P HA 0.127 nan 4.420 nan 0.000 0.268 877 P C -0.665 176.931 177.300 0.494 0.000 1.205 877 P CA -0.031 63.152 63.100 0.138 0.000 0.771 877 P CB -0.067 31.683 31.700 0.082 0.000 0.858 878 H N 3.354 122.765 119.070 0.568 0.000 3.125 878 H HA 0.043 4.614 4.556 0.024 0.000 0.310 878 H C -1.540 174.160 175.328 0.621 0.000 0.980 878 H CA -1.228 55.125 56.048 0.509 0.000 1.422 878 H CB -0.511 29.498 29.762 0.411 0.000 1.432 878 H HN 0.379 nan 8.280 nan 0.000 0.577 879 P HA 0.000 nan 4.420 nan 0.000 0.274 879 P C 0.158 177.366 177.300 -0.154 0.000 1.237 879 P CA -0.289 62.893 63.100 0.136 0.000 0.793 879 P CB 1.073 32.691 31.700 -0.137 0.000 0.977 880 A N 2.913 125.363 122.820 -0.617 0.000 2.015 880 A HA -0.082 4.253 4.320 0.024 0.000 0.219 880 A C 1.046 178.246 177.584 -0.640 0.000 1.163 880 A CA 1.248 52.895 52.037 -0.650 0.000 0.646 880 A CB -0.545 17.874 19.000 -0.969 0.000 0.806 880 A HN 0.755 nan 8.150 nan 0.000 0.448 881 R N -3.105 117.063 120.500 -0.554 0.000 2.741 881 R HA 0.699 5.054 4.340 0.024 0.000 0.276 881 R C -1.663 174.405 176.300 -0.387 0.000 1.028 881 R CA -0.834 54.950 56.100 -0.525 0.000 0.865 881 R CB 0.663 30.592 30.300 -0.619 0.000 1.268 881 R HN -0.016 nan 8.270 nan 0.000 0.475 882 I N 1.054 121.427 120.570 -0.329 0.000 2.595 882 I HA 0.571 4.755 4.170 0.024 0.000 0.276 882 I C -0.462 175.439 176.117 -0.359 0.000 1.109 882 I CA -0.331 60.810 61.300 -0.265 0.000 1.084 882 I CB 1.679 39.588 38.000 -0.152 0.000 1.206 882 I HN 0.944 nan 8.210 nan 0.000 0.486 883 G N 5.339 113.866 108.800 -0.455 0.000 2.871 883 G HA2 0.833 4.808 3.960 0.024 0.000 0.282 883 G HA3 0.833 4.808 3.960 0.024 0.000 0.282 883 G C -1.439 173.308 174.900 -0.255 0.000 1.212 883 G CA -0.515 44.358 45.100 -0.378 0.000 0.812 883 G HN 0.216 nan 8.290 nan 0.000 0.547 884 L N 0.581 121.700 121.223 -0.173 0.000 2.359 884 L HA 0.644 4.999 4.340 0.024 0.000 0.256 884 L C -0.890 175.887 176.870 -0.155 0.000 1.026 884 L CA -1.118 53.646 54.840 -0.126 0.000 0.828 884 L CB 2.631 44.694 42.059 0.006 0.000 1.406 884 L HN 0.822 nan 8.230 nan 0.000 0.413 885 N N 0.219 118.852 118.700 -0.111 0.000 2.823 885 N HA 0.695 5.449 4.740 0.024 0.000 0.251 885 N C -1.351 174.157 175.510 -0.005 0.000 1.392 885 N CA -0.507 52.500 53.050 -0.072 0.000 0.864 885 N CB 2.291 40.755 38.487 -0.037 0.000 1.481 885 N HN 0.880 nan 8.380 nan 0.000 0.508 886 C N -1.845 117.463 119.300 0.013 0.000 3.275 886 C HA 0.604 5.079 4.460 0.024 0.000 0.340 886 C C -1.245 173.572 174.990 -0.288 0.000 1.366 886 C CA -0.835 58.148 59.018 -0.058 0.000 1.227 886 C CB 1.037 28.761 27.740 -0.026 0.000 1.512 886 C HN 0.862 nan 8.230 nan 0.000 0.461 887 Q N 1.194 120.625 119.800 -0.615 0.000 2.347 887 Q HA 0.658 5.013 4.340 0.024 0.000 0.262 887 Q C -1.039 174.669 176.000 -0.485 0.000 0.980 887 Q CA -0.452 54.727 55.803 -1.040 0.000 0.867 887 Q CB 0.989 28.777 28.738 -1.584 0.000 1.242 887 Q HN 0.762 nan 8.270 nan 0.000 0.453 888 L N 2.494 123.523 121.223 -0.323 0.000 2.417 888 L HA 0.254 4.609 4.340 0.024 0.000 0.268 888 L C 1.194 177.992 176.870 -0.120 0.000 1.158 888 L CA -0.155 54.620 54.840 -0.107 0.000 0.819 888 L CB 0.835 42.924 42.059 0.050 0.000 1.112 888 L HN 0.844 nan 8.230 nan 0.000 0.458 889 A N 2.081 124.863 122.820 -0.063 0.000 1.929 889 A HA -0.120 4.214 4.320 0.024 0.000 0.216 889 A C 1.133 178.695 177.584 -0.036 0.000 1.176 889 A CA 0.625 52.615 52.037 -0.078 0.000 0.628 889 A CB -0.276 18.674 19.000 -0.083 0.000 0.816 889 A HN 0.802 nan 8.150 nan 0.000 0.444 890 Q N -0.052 119.761 119.800 0.022 0.000 2.352 890 Q HA 0.411 4.766 4.340 0.024 0.000 0.260 890 Q C -1.217 174.816 176.000 0.056 0.000 0.976 890 Q CA 0.187 56.006 55.803 0.027 0.000 0.881 890 Q CB 0.838 29.626 28.738 0.084 0.000 1.235 890 Q HN 0.136 nan 8.270 nan 0.000 0.419 891 V N 3.613 123.526 119.914 -0.002 0.000 2.409 891 V HA 0.740 4.875 4.120 0.024 0.000 0.290 891 V C -0.581 175.471 176.094 -0.070 0.000 1.017 891 V CA -0.349 61.981 62.300 0.051 0.000 0.841 891 V CB 1.031 32.874 31.823 0.035 0.000 1.003 891 V HN 0.918 nan 8.190 nan 0.000 0.426 892 A N 3.510 126.203 122.820 -0.211 0.000 2.322 892 A HA 0.741 5.075 4.320 0.024 0.000 0.327 892 A C 0.813 178.393 177.584 -0.007 0.000 1.134 892 A CA -0.490 51.372 52.037 -0.291 0.000 0.831 892 A CB 1.021 19.618 19.000 -0.672 0.000 1.288 892 A HN 0.742 nan 8.150 nan 0.000 0.472 893 E N 0.346 120.544 120.200 -0.004 0.000 2.216 893 E HA -0.035 4.330 4.350 0.024 0.000 0.192 893 E C 0.016 176.689 176.600 0.121 0.000 0.988 893 E CA 0.774 57.210 56.400 0.060 0.000 0.834 893 E CB 0.107 29.826 29.700 0.032 0.000 0.772 893 E HN 0.459 nan 8.360 nan 0.000 0.479 894 R N 0.259 120.842 120.500 0.139 0.000 2.837 894 R HA 0.562 4.917 4.340 0.024 0.000 0.271 894 R C -0.605 175.878 176.300 0.305 0.000 0.993 894 R CA -0.863 55.353 56.100 0.193 0.000 0.931 894 R CB 1.964 32.346 30.300 0.136 0.000 1.206 894 R HN -0.195 nan 8.270 nan 0.000 0.474 895 V N 1.815 121.915 119.914 0.310 0.000 2.487 895 V HA 0.398 4.532 4.120 0.024 0.000 0.298 895 V C -0.265 176.100 176.094 0.452 0.000 1.028 895 V CA -0.908 61.608 62.300 0.359 0.000 0.860 895 V CB 1.845 33.813 31.823 0.240 0.000 0.991 895 V HN 0.659 nan 8.190 nan 0.000 0.427 896 N N 4.464 123.408 118.700 0.407 0.000 2.346 896 N HA 0.542 5.297 4.740 0.024 0.000 0.289 896 N C -1.414 174.368 175.510 0.453 0.000 1.027 896 N CA -0.431 52.851 53.050 0.386 0.000 0.864 896 N CB 2.725 41.328 38.487 0.193 0.000 1.370 896 N HN 0.837 nan 8.380 nan 0.000 0.481 897 W N 3.061 124.401 121.300 0.066 0.000 3.118 897 W HA 0.577 5.252 4.660 0.024 0.000 0.328 897 W C -1.958 174.532 176.519 -0.047 0.000 1.239 897 W CA -1.130 56.233 57.345 0.029 0.000 1.176 897 W CB 0.748 30.260 29.460 0.086 0.000 1.433 897 W HN 0.226 nan 8.180 nan 0.000 0.562 898 L N 3.938 125.155 121.223 -0.011 0.000 2.313 898 L HA 0.897 5.252 4.340 0.024 0.000 0.273 898 L C -0.110 176.549 176.870 -0.353 0.000 1.028 898 L CA 0.274 54.890 54.840 -0.374 0.000 0.871 898 L CB 0.518 42.449 42.059 -0.213 0.000 1.242 898 L HN 0.934 nan 8.230 nan 0.000 0.434 899 G N 3.598 112.079 108.800 -0.531 0.000 2.510 899 G HA2 0.291 4.266 3.960 0.024 0.000 0.277 899 G HA3 0.291 4.266 3.960 0.024 0.000 0.277 899 G C -1.548 173.344 174.900 -0.014 0.000 1.223 899 G CA -0.978 44.039 45.100 -0.137 0.000 0.887 899 G HN 0.365 nan 8.290 nan 0.000 0.485 900 L N 1.099 122.491 121.223 0.283 0.000 2.331 900 L HA 0.643 4.997 4.340 0.024 0.000 0.278 900 L C 0.971 177.957 176.870 0.193 0.000 1.106 900 L CA 0.553 55.528 54.840 0.224 0.000 0.824 900 L CB 0.746 42.887 42.059 0.135 0.000 1.142 900 L HN 1.085 nan 8.230 nan 0.000 0.443 901 G N 2.789 111.499 108.800 -0.150 0.000 2.348 901 G HA2 0.225 4.200 3.960 0.024 0.000 0.296 901 G HA3 0.225 4.200 3.960 0.024 0.000 0.296 901 G C -2.744 171.307 174.900 -1.415 0.000 1.258 901 G CA -0.242 44.406 45.100 -0.755 0.000 0.868 901 G HN 0.313 nan 8.290 nan 0.000 0.488 902 P HA 0.062 nan 4.420 nan 0.000 0.227 902 P C 0.434 177.510 177.300 -0.374 0.000 1.161 902 P CA 0.721 63.092 63.100 -1.214 0.000 0.788 902 P CB 0.440 31.584 31.700 -0.926 0.000 0.822 903 Q N 0.428 120.018 119.800 -0.350 0.000 2.318 903 Q HA 0.166 4.521 4.340 0.024 0.000 0.222 903 Q C 0.347 176.232 176.000 -0.191 0.000 1.003 903 Q CA -0.706 54.976 55.803 -0.202 0.000 0.936 903 Q CB 0.694 29.333 28.738 -0.166 0.000 1.204 903 Q HN 0.125 nan 8.270 nan 0.000 0.524 904 E N 1.185 121.278 120.200 -0.178 0.000 2.568 904 E HA -0.130 4.235 4.350 0.024 0.000 0.262 904 E C -1.099 175.399 176.600 -0.171 0.000 0.961 904 E CA 0.395 56.670 56.400 -0.208 0.000 0.945 904 E CB 0.253 29.897 29.700 -0.093 0.000 0.924 904 E HN 0.604 nan 8.360 nan 0.000 0.467 905 N N 2.378 120.891 118.700 -0.312 0.000 2.484 905 N HA 0.345 5.099 4.740 0.024 0.000 0.269 905 N C -1.860 173.380 175.510 -0.449 0.000 1.237 905 N CA -0.693 52.237 53.050 -0.200 0.000 0.838 905 N CB 0.690 39.094 38.487 -0.138 0.000 1.593 905 N HN 0.248 nan 8.380 nan 0.000 0.485 906 Y N -0.642 119.565 120.300 -0.155 0.000 2.602 906 Y HA 0.500 5.065 4.550 0.024 0.000 0.342 906 Y C -1.681 174.146 175.900 -0.121 0.000 1.029 906 Y CA -1.990 56.006 58.100 -0.174 0.000 1.080 906 Y CB 1.976 40.328 38.460 -0.180 0.000 1.284 906 Y HN 0.438 nan 8.280 nan 0.000 0.485 907 P HA -0.206 nan 4.420 nan 0.000 0.216 907 P C 0.461 177.639 177.300 -0.203 0.000 1.157 907 P CA 2.277 65.421 63.100 0.073 0.000 0.880 907 P CB 0.178 32.039 31.700 0.269 0.000 0.791 908 D N -2.303 117.747 120.400 -0.582 0.000 2.325 908 D HA -0.009 4.645 4.640 0.024 0.000 0.225 908 D C 0.726 176.868 176.300 -0.262 0.000 1.096 908 D CA 0.159 53.622 54.000 -0.895 0.000 0.844 908 D CB -0.306 39.741 40.800 -1.255 0.000 0.925 908 D HN 0.139 nan 8.370 nan 0.000 0.513 909 R N 0.969 121.419 120.500 -0.083 0.000 2.627 909 R HA 0.178 4.532 4.340 0.024 0.000 0.251 909 R C -0.601 175.729 176.300 0.051 0.000 1.524 909 R CA -0.154 55.960 56.100 0.024 0.000 1.606 909 R CB 0.092 30.415 30.300 0.039 0.000 1.396 909 R HN 0.097 nan 8.270 nan 0.000 0.724 910 L N -1.845 119.413 121.223 0.059 0.000 3.298 910 L HA 0.340 4.695 4.340 0.024 0.000 0.296 910 L C 1.324 178.251 176.870 0.094 0.000 1.237 910 L CA 0.078 54.953 54.840 0.058 0.000 1.038 910 L CB 0.119 42.200 42.059 0.037 0.000 1.423 910 L HN 0.074 nan 8.230 nan 0.000 0.605 911 T N -2.546 112.090 114.554 0.136 0.000 2.867 911 T HA -0.014 4.351 4.350 0.024 0.000 0.268 911 T C 1.776 176.520 174.700 0.075 0.000 1.057 911 T CA 1.348 63.553 62.100 0.176 0.000 1.136 911 T CB -0.339 68.688 68.868 0.265 0.000 0.874 911 T HN 0.392 nan 8.240 nan 0.000 0.466 912 A N 1.548 124.412 122.820 0.073 0.000 2.119 912 A HA 0.645 4.980 4.320 0.024 0.000 0.216 912 A C 1.589 179.256 177.584 0.139 0.000 1.152 912 A CA 0.519 52.545 52.037 -0.018 0.000 0.708 912 A CB -0.902 18.222 19.000 0.207 0.000 0.805 912 A HN 0.848 nan 8.150 nan 0.000 0.460 913 A N -1.028 121.820 122.820 0.046 0.000 2.371 913 A HA 0.467 4.802 4.320 0.024 0.000 0.257 913 A C -0.012 177.593 177.584 0.035 0.000 1.089 913 A CA -0.171 51.851 52.037 -0.025 0.000 0.794 913 A CB -0.048 18.925 19.000 -0.045 0.000 1.029 913 A HN 0.438 nan 8.150 nan 0.000 0.488 914 C N 0.892 120.207 119.300 0.024 0.000 2.435 914 C HA 0.530 5.004 4.460 0.024 0.000 0.333 914 C C -0.060 175.045 174.990 0.190 0.000 1.202 914 C CA -0.427 58.667 59.018 0.126 0.000 1.830 914 C CB 0.618 28.448 27.740 0.151 0.000 2.326 914 C HN 0.776 nan 8.230 nan 0.000 0.507 915 F N 3.817 123.599 119.950 -0.279 0.000 2.444 915 F HA 0.436 4.978 4.527 0.024 0.000 0.360 915 F C 0.389 175.826 175.800 -0.605 0.000 1.106 915 F CA 1.087 58.760 58.000 -0.545 0.000 1.170 915 F CB -0.144 37.987 39.000 -1.449 0.000 1.113 915 F HN 0.620 nan 8.300 nan 0.000 0.521 916 D N 3.161 122.921 120.400 -1.068 0.000 2.970 916 D HA 0.207 4.862 4.640 0.024 0.000 0.344 916 D C -1.573 173.805 176.300 -1.536 0.000 1.365 916 D CA -0.712 52.523 54.000 -1.275 0.000 0.910 916 D CB 1.526 41.360 40.800 -1.610 0.000 1.445 916 D HN 0.451 nan 8.370 nan 0.000 0.532 917 R N 0.737 120.430 120.500 -1.345 0.000 2.215 917 R HA 0.502 4.857 4.340 0.024 0.000 0.336 917 R C -1.427 174.173 176.300 -1.166 0.000 0.996 917 R CA -0.353 55.130 56.100 -1.029 0.000 0.847 917 R CB 0.172 30.128 30.300 -0.573 0.000 1.127 917 R HN 0.252 nan 8.270 nan 0.000 0.465 918 W N 2.559 123.336 121.300 -0.872 0.000 2.578 918 W HA 0.449 5.124 4.660 0.025 0.000 0.346 918 W C -0.309 175.852 176.519 -0.596 0.000 1.075 918 W CA -0.645 56.139 57.345 -0.935 0.000 1.233 918 W CB 1.471 29.913 29.460 -1.696 0.000 1.358 918 W HN 0.375 nan 8.180 nan 0.000 0.574 919 D N 2.298 122.674 120.400 -0.039 0.000 2.855 919 D HA 0.527 5.182 4.640 0.024 0.000 0.241 919 D C -1.474 174.944 176.300 0.197 0.000 1.277 919 D CA -0.202 53.870 54.000 0.121 0.000 0.918 919 D CB 1.286 42.114 40.800 0.047 0.000 1.462 919 D HN 0.409 nan 8.370 nan 0.000 0.559 920 L N 2.763 124.171 121.223 0.307 0.000 2.409 920 L HA 0.520 4.875 4.340 0.024 0.000 0.255 920 L C -2.375 174.613 176.870 0.197 0.000 1.027 920 L CA -2.140 52.840 54.840 0.233 0.000 0.834 920 L CB 2.867 45.099 42.059 0.289 0.000 1.426 920 L HN 0.190 nan 8.230 nan 0.000 0.411 921 P HA 0.002 nan 4.420 nan 0.000 0.269 921 P C 0.522 177.896 177.300 0.124 0.000 1.209 921 P CA -0.261 62.908 63.100 0.116 0.000 0.776 921 P CB 0.821 32.570 31.700 0.081 0.000 0.876 922 L N 3.592 124.893 121.223 0.130 0.000 2.129 922 L HA -0.231 4.124 4.340 0.024 0.000 0.212 922 L C 2.271 179.177 176.870 0.061 0.000 1.087 922 L CA 2.521 57.422 54.840 0.101 0.000 0.757 922 L CB -1.458 40.676 42.059 0.124 0.000 0.896 922 L HN 0.448 nan 8.230 nan 0.000 0.434 923 S N -1.654 114.088 115.700 0.070 0.000 2.382 923 S HA -0.174 4.311 4.470 0.024 0.000 0.228 923 S C 1.592 176.253 174.600 0.102 0.000 1.027 923 S CA 1.083 59.339 58.200 0.093 0.000 0.991 923 S CB -0.779 62.472 63.200 0.085 0.000 0.823 923 S HN 0.516 nan 8.310 nan 0.000 0.469 924 D N 1.368 121.807 120.400 0.066 0.000 2.384 924 D HA 0.033 4.688 4.640 0.024 0.000 0.222 924 D C 1.182 177.482 176.300 -0.001 0.000 0.976 924 D CA 0.647 54.666 54.000 0.031 0.000 0.915 924 D CB -0.195 40.630 40.800 0.041 0.000 0.896 924 D HN 0.405 nan 8.370 nan 0.000 0.523 925 M N -0.558 119.049 119.600 0.012 0.000 2.494 925 M HA 0.073 4.568 4.480 0.024 0.000 0.232 925 M C -0.030 176.262 176.300 -0.014 0.000 1.137 925 M CA -0.123 55.140 55.300 -0.062 0.000 1.012 925 M CB -0.772 31.773 32.600 -0.091 0.000 1.567 925 M HN -0.045 nan 8.290 nan 0.000 0.486 926 Y N 0.034 120.285 120.300 -0.082 0.000 2.376 926 Y HA 0.528 5.093 4.550 0.025 0.000 0.340 926 Y C -0.843 175.005 175.900 -0.086 0.000 0.965 926 Y CA -0.995 57.078 58.100 -0.046 0.000 1.078 926 Y CB 1.341 39.831 38.460 0.050 0.000 1.193 926 Y HN -0.110 nan 8.280 nan 0.000 0.452 927 T N 8.882 122.948 114.554 -0.815 0.000 2.756 927 T HA 0.299 4.663 4.350 0.024 0.000 0.290 927 T C -2.720 171.193 174.700 -1.312 0.000 0.985 927 T CA -1.530 60.025 62.100 -0.910 0.000 0.955 927 T CB 1.172 69.547 68.868 -0.822 0.000 0.930 927 T HN 0.457 nan 8.240 nan 0.000 0.451 928 P HA 0.141 nan 4.420 nan 0.000 0.226 928 P C -0.694 176.482 177.300 -0.207 0.000 1.783 928 P CA -0.427 62.263 63.100 -0.685 0.000 0.980 928 P CB -0.660 30.801 31.700 -0.398 0.000 1.967 929 Y N -0.252 119.986 120.300 -0.103 0.000 2.610 929 Y HA -0.087 4.478 4.550 0.024 0.000 0.332 929 Y C 2.302 178.250 175.900 0.080 0.000 1.201 929 Y CA -0.538 57.563 58.100 0.001 0.000 1.465 929 Y CB 0.558 38.929 38.460 -0.147 0.000 1.283 929 Y HN -0.089 nan 8.280 nan 0.000 0.563 930 V N 2.973 123.102 119.914 0.359 0.000 2.282 930 V HA -0.331 3.803 4.120 0.024 0.000 0.249 930 V C 0.666 176.912 176.094 0.254 0.000 1.057 930 V CA 1.529 64.021 62.300 0.320 0.000 1.032 930 V CB -0.605 31.443 31.823 0.375 0.000 0.645 930 V HN 0.601 nan 8.190 nan 0.000 0.447 931 F N 3.525 123.495 119.950 0.035 0.000 2.377 931 F HA 0.475 5.016 4.527 0.025 0.000 0.360 931 F C -2.295 173.494 175.800 -0.017 0.000 1.147 931 F CA -3.707 54.254 58.000 -0.065 0.000 1.170 931 F CB 0.268 39.120 39.000 -0.248 0.000 1.339 931 F HN 0.035 nan 8.300 nan 0.000 0.552 932 P HA 0.223 nan 4.420 nan 0.000 0.269 932 P C -0.852 176.106 177.300 -0.571 0.000 1.209 932 P CA 0.155 63.001 63.100 -0.423 0.000 0.776 932 P CB 1.113 32.602 31.700 -0.352 0.000 0.876 933 S N -0.518 115.058 115.700 -0.207 0.000 2.724 933 S HA 0.423 4.907 4.470 0.024 0.000 0.278 933 S C -0.809 173.780 174.600 -0.019 0.000 1.190 933 S CA -0.933 57.188 58.200 -0.132 0.000 0.860 933 S CB 0.217 63.369 63.200 -0.080 0.000 1.206 933 S HN 0.334 nan 8.310 nan 0.000 0.507 934 E N 1.462 121.664 120.200 0.004 0.000 2.529 934 E HA 0.370 4.735 4.350 0.024 0.000 0.259 934 E C -0.238 176.421 176.600 0.098 0.000 0.966 934 E CA 0.792 57.227 56.400 0.057 0.000 0.937 934 E CB -0.348 29.409 29.700 0.094 0.000 0.923 934 E HN 0.770 nan 8.360 nan 0.000 0.468 935 N N 1.668 120.462 118.700 0.157 0.000 3.046 935 N HA 0.493 5.247 4.740 0.024 0.000 0.243 935 N C 0.198 175.765 175.510 0.094 0.000 1.452 935 N CA -0.500 52.682 53.050 0.219 0.000 0.882 935 N CB 0.857 39.455 38.487 0.186 0.000 1.425 935 N HN 0.677 nan 8.380 nan 0.000 0.517 936 G N -1.325 107.486 108.800 0.018 0.000 2.168 936 G HA2 -0.268 3.707 3.960 0.024 0.000 0.263 936 G HA3 -0.268 3.707 3.960 0.024 0.000 0.263 936 G C -0.235 174.413 174.900 -0.420 0.000 0.977 936 G CA 0.504 45.494 45.100 -0.183 0.000 0.659 936 G HN 0.727 nan 8.290 nan 0.000 0.533 937 L N -0.067 120.816 121.223 -0.567 0.000 2.467 937 L HA 0.718 5.072 4.340 0.024 0.000 0.270 937 L C 0.619 176.903 176.870 -0.977 0.000 1.205 937 L CA 0.179 54.453 54.840 -0.943 0.000 0.828 937 L CB 0.598 41.802 42.059 -1.425 0.000 1.101 937 L HN 0.224 nan 8.230 nan 0.000 0.479 938 R N 2.394 122.252 120.500 -1.070 0.000 2.532 938 R HA 0.493 4.848 4.340 0.024 0.000 0.297 938 R C -1.000 174.950 176.300 -0.584 0.000 0.984 938 R CA -0.276 55.332 56.100 -0.821 0.000 0.884 938 R CB 1.428 31.141 30.300 -0.979 0.000 1.182 938 R HN 0.690 nan 8.270 nan 0.000 0.442 939 C N 0.214 119.323 119.300 -0.318 0.000 2.484 939 C HA 0.719 5.194 4.460 0.024 0.000 0.409 939 C C 1.285 176.261 174.990 -0.024 0.000 1.434 939 C CA 0.116 59.028 59.018 -0.176 0.000 1.913 939 C CB 1.311 28.977 27.740 -0.125 0.000 2.028 939 C HN 1.023 nan 8.230 nan 0.000 0.516 940 G N 1.660 110.460 108.800 0.000 0.000 2.341 940 G HA2 -0.187 3.787 3.960 0.024 0.000 0.292 940 G HA3 -0.187 3.787 3.960 0.024 0.000 0.292 940 G C -0.052 174.922 174.900 0.125 0.000 1.021 940 G CA 0.628 45.780 45.100 0.087 0.000 0.905 940 G HN 0.788 nan 8.290 nan 0.000 0.508 941 T N -0.022 114.472 114.554 -0.100 0.000 2.767 941 T HA 0.523 4.887 4.350 0.024 0.000 0.288 941 T C 1.293 175.674 174.700 -0.532 0.000 0.963 941 T CA -0.635 61.348 62.100 -0.194 0.000 1.019 941 T CB 1.482 70.298 68.868 -0.087 0.000 0.923 941 T HN 0.176 nan 8.240 nan 0.000 0.468 942 R N 1.518 121.952 120.500 -0.111 0.000 2.254 942 R HA 0.275 4.630 4.340 0.024 0.000 0.193 942 R C 0.567 176.903 176.300 0.060 0.000 0.929 942 R CA 0.279 56.370 56.100 -0.015 0.000 1.038 942 R CB 0.269 30.698 30.300 0.215 0.000 1.009 942 R HN 0.707 nan 8.270 nan 0.000 0.512 943 E N 0.394 120.644 120.200 0.083 0.000 2.304 943 E HA 0.342 4.707 4.350 0.024 0.000 0.277 943 E C -1.776 174.977 176.600 0.254 0.000 0.898 943 E CA -0.666 55.859 56.400 0.208 0.000 0.764 943 E CB 1.494 31.286 29.700 0.154 0.000 1.216 943 E HN -0.084 nan 8.360 nan 0.000 0.419 944 L N 4.280 125.713 121.223 0.349 0.000 2.385 944 L HA 0.601 4.955 4.340 0.024 0.000 0.273 944 L C -1.810 175.253 176.870 0.321 0.000 0.990 944 L CA -0.367 54.611 54.840 0.230 0.000 0.821 944 L CB 1.694 43.708 42.059 -0.074 0.000 1.279 944 L HN 0.466 nan 8.230 nan 0.000 0.412 945 N N 4.509 123.366 118.700 0.261 0.000 2.346 945 N HA 0.396 5.151 4.740 0.024 0.000 0.289 945 N C -1.975 173.748 175.510 0.355 0.000 1.027 945 N CA -0.285 52.922 53.050 0.262 0.000 0.864 945 N CB 2.153 40.740 38.487 0.167 0.000 1.370 945 N HN 0.580 nan 8.380 nan 0.000 0.481 946 Y N 1.126 121.563 120.300 0.227 0.000 2.330 946 Y HA 0.417 4.982 4.550 0.025 0.000 0.324 946 Y C 0.616 176.635 175.900 0.198 0.000 1.093 946 Y CA 0.150 58.379 58.100 0.215 0.000 1.103 946 Y CB 0.708 39.327 38.460 0.265 0.000 1.183 946 Y HN 0.859 nan 8.280 nan 0.000 0.433 947 G N 6.495 115.138 108.800 -0.261 0.000 2.566 947 G HA2 -0.280 3.695 3.960 0.024 0.000 0.280 947 G HA3 -0.280 3.695 3.960 0.024 0.000 0.280 947 G C -1.895 172.908 174.900 -0.162 0.000 1.225 947 G CA -0.014 44.927 45.100 -0.265 0.000 0.966 947 G HN 0.582 nan 8.290 nan 0.000 0.560 948 P HA 0.148 nan 4.420 nan 0.000 0.253 948 P C 0.178 177.294 177.300 -0.308 0.000 1.260 948 P CA 0.630 63.569 63.100 -0.268 0.000 0.800 948 P CB -0.060 31.421 31.700 -0.365 0.000 1.162 949 H N 0.271 119.297 119.070 -0.073 0.000 2.496 949 H HA 0.483 5.054 4.556 0.024 0.000 0.342 949 H C -0.137 174.931 175.328 -0.433 0.000 1.170 949 H CA -0.061 55.847 56.048 -0.233 0.000 1.274 949 H CB 1.756 31.217 29.762 -0.502 0.000 1.538 949 H HN 0.069 nan 8.280 nan 0.000 0.542 950 Q N 1.973 121.508 119.800 -0.441 0.000 2.289 950 Q HA 0.234 4.589 4.340 0.024 0.000 0.270 950 Q C -1.634 174.076 176.000 -0.484 0.000 1.038 950 Q CA -0.674 54.936 55.803 -0.322 0.000 0.812 950 Q CB 2.138 30.859 28.738 -0.029 0.000 1.300 950 Q HN 0.579 nan 8.270 nan 0.000 0.427 951 W N 3.649 124.921 121.300 -0.046 0.000 2.702 951 W HA 0.602 5.276 4.660 0.025 0.000 0.331 951 W C -0.282 176.341 176.519 0.173 0.000 1.049 951 W CA -0.814 56.492 57.345 -0.066 0.000 1.230 951 W CB 1.995 31.223 29.460 -0.388 0.000 1.408 951 W HN 0.483 nan 8.180 nan 0.000 0.492 952 R N 0.714 121.483 120.500 0.449 0.000 2.686 952 R HA 0.769 5.123 4.340 0.024 0.000 0.283 952 R C 0.156 176.742 176.300 0.476 0.000 0.978 952 R CA -0.472 55.899 56.100 0.451 0.000 0.897 952 R CB 2.438 32.905 30.300 0.279 0.000 1.192 952 R HN 0.768 nan 8.270 nan 0.000 0.457 953 G N 0.834 109.909 108.800 0.459 0.000 2.591 953 G HA2 0.019 3.994 3.960 0.024 0.000 0.104 953 G HA3 0.019 3.994 3.960 0.024 0.000 0.104 953 G C -1.783 173.247 174.900 0.217 0.000 1.097 953 G CA -0.335 44.992 45.100 0.378 0.000 1.076 953 G HN 0.494 nan 8.290 nan 0.000 0.485 954 D N 0.027 120.554 120.400 0.213 0.000 2.328 954 D HA 0.610 5.265 4.640 0.024 0.000 0.243 954 D C -0.694 175.614 176.300 0.014 0.000 1.324 954 D CA -0.497 53.510 54.000 0.012 0.000 0.966 954 D CB 0.334 41.173 40.800 0.064 0.000 1.324 954 D HN 0.600 nan 8.370 nan 0.000 0.549 955 F N -0.025 119.934 119.950 0.014 0.000 2.869 955 F HA 0.696 5.238 4.527 0.025 0.000 0.325 955 F C -1.313 174.453 175.800 -0.057 0.000 1.184 955 F CA -1.022 56.922 58.000 -0.093 0.000 0.951 955 F CB 0.646 39.589 39.000 -0.095 0.000 1.421 955 F HN -0.082 nan 8.300 nan 0.000 0.501 956 Q N 1.442 121.350 119.800 0.180 0.000 2.348 956 Q HA 0.679 5.034 4.340 0.024 0.000 0.271 956 Q C -1.327 174.754 176.000 0.134 0.000 1.067 956 Q CA -0.510 55.302 55.803 0.015 0.000 0.839 956 Q CB 2.804 31.436 28.738 -0.177 0.000 1.354 956 Q HN 0.872 nan 8.270 nan 0.000 0.447 957 F N -1.182 118.670 119.950 -0.162 0.000 2.686 957 F HA 0.753 5.294 4.527 0.025 0.000 0.311 957 F C -1.670 173.914 175.800 -0.359 0.000 1.128 957 F CA -1.065 56.781 58.000 -0.257 0.000 0.946 957 F CB 1.590 40.444 39.000 -0.243 0.000 1.336 957 F HN 0.590 nan 8.300 nan 0.000 0.457 958 N N 1.565 120.124 118.700 -0.235 0.000 2.277 958 N HA 0.701 5.456 4.740 0.024 0.000 0.286 958 N C -2.142 173.318 175.510 -0.084 0.000 1.140 958 N CA -0.725 52.164 53.050 -0.268 0.000 0.799 958 N CB 2.547 40.873 38.487 -0.269 0.000 1.596 958 N HN 1.148 nan 8.380 nan 0.000 0.473 959 I N 0.504 121.014 120.570 -0.101 0.000 2.610 959 I HA 0.702 4.887 4.170 0.024 0.000 0.289 959 I C -1.463 174.562 176.117 -0.153 0.000 1.163 959 I CA 0.001 61.195 61.300 -0.176 0.000 1.044 959 I CB 1.320 39.124 38.000 -0.327 0.000 1.251 959 I HN 1.031 nan 8.210 nan 0.000 0.424 960 S N 6.142 121.767 115.700 -0.126 0.000 2.661 960 S HA 0.528 5.012 4.470 0.024 0.000 0.268 960 S C -0.133 174.351 174.600 -0.194 0.000 1.162 960 S CA -1.018 57.091 58.200 -0.152 0.000 0.817 960 S CB 1.699 64.860 63.200 -0.065 0.000 1.141 960 S HN 0.639 nan 8.310 nan 0.000 0.477 961 R N -0.291 119.910 120.500 -0.498 0.000 2.320 961 R HA 0.256 4.611 4.340 0.024 0.000 0.211 961 R C -0.827 175.190 176.300 -0.471 0.000 0.931 961 R CA 0.318 56.133 56.100 -0.476 0.000 1.071 961 R CB -0.867 29.056 30.300 -0.628 0.000 1.025 961 R HN 0.661 nan 8.270 nan 0.000 0.495 962 Y N 0.207 120.484 120.300 -0.039 0.000 2.364 962 Y HA 0.208 4.773 4.550 0.025 0.000 0.340 962 Y C 0.811 176.474 175.900 -0.394 0.000 0.975 962 Y CA -1.115 56.862 58.100 -0.205 0.000 1.089 962 Y CB 1.497 39.790 38.460 -0.279 0.000 1.192 962 Y HN -0.101 nan 8.280 nan 0.000 0.454 963 S N 1.345 116.677 115.700 -0.612 0.000 2.614 963 S HA 0.076 4.561 4.470 0.024 0.000 0.265 963 S C 0.827 175.082 174.600 -0.576 0.000 1.303 963 S CA -0.793 56.668 58.200 -1.233 0.000 1.000 963 S CB 1.184 63.461 63.200 -1.538 0.000 0.935 963 S HN 0.722 nan 8.310 nan 0.000 0.551 964 Q N 0.540 120.036 119.800 -0.508 0.000 2.170 964 Q HA -0.189 4.166 4.340 0.024 0.000 0.203 964 Q C 2.224 178.090 176.000 -0.222 0.000 0.976 964 Q CA 1.721 57.367 55.803 -0.263 0.000 0.858 964 Q CB -0.537 28.078 28.738 -0.204 0.000 0.907 964 Q HN 0.958 nan 8.270 nan 0.000 0.433 965 Q N 0.806 120.430 119.800 -0.292 0.000 2.020 965 Q HA -0.242 4.112 4.340 0.024 0.000 0.202 965 Q C 2.093 177.985 176.000 -0.180 0.000 0.982 965 Q CA 1.747 57.431 55.803 -0.199 0.000 0.838 965 Q CB -0.069 28.559 28.738 -0.183 0.000 0.899 965 Q HN 0.440 nan 8.270 nan 0.000 0.423 966 Q N 0.087 119.749 119.800 -0.230 0.000 2.050 966 Q HA -0.177 4.178 4.340 0.024 0.000 0.202 966 Q C 2.329 178.203 176.000 -0.210 0.000 0.980 966 Q CA 1.619 57.301 55.803 -0.202 0.000 0.840 966 Q CB -0.135 28.454 28.738 -0.247 0.000 0.898 966 Q HN 0.511 nan 8.270 nan 0.000 0.424 967 L N 0.487 121.578 121.223 -0.220 0.000 2.012 967 L HA -0.230 4.125 4.340 0.024 0.000 0.210 967 L C 2.785 179.523 176.870 -0.221 0.000 1.073 967 L CA 1.740 56.445 54.840 -0.226 0.000 0.748 967 L CB -0.582 41.377 42.059 -0.168 0.000 0.891 967 L HN 0.473 nan 8.230 nan 0.000 0.431 968 M N -0.742 118.762 119.600 -0.159 0.000 2.460 968 M HA -0.147 4.347 4.480 0.024 0.000 0.263 968 M C 1.596 177.832 176.300 -0.107 0.000 1.071 968 M CA 1.654 56.881 55.300 -0.122 0.000 1.096 968 M CB -0.062 32.486 32.600 -0.086 0.000 1.408 968 M HN 0.111 nan 8.290 nan 0.000 0.463 969 E N 0.387 120.517 120.200 -0.115 0.000 2.472 969 E HA 0.108 4.472 4.350 0.024 0.000 0.196 969 E C -0.545 176.007 176.600 -0.079 0.000 1.033 969 E CA 0.211 56.565 56.400 -0.077 0.000 0.886 969 E CB 0.667 30.328 29.700 -0.064 0.000 0.944 969 E HN 0.396 nan 8.360 nan 0.000 0.492 970 T N -0.354 114.114 114.554 -0.144 0.000 2.797 970 T HA 0.126 4.491 4.350 0.024 0.000 0.279 970 T C 0.887 175.480 174.700 -0.178 0.000 0.991 970 T CA -0.461 61.553 62.100 -0.145 0.000 0.979 970 T CB 1.705 70.454 68.868 -0.198 0.000 0.943 970 T HN 0.008 nan 8.240 nan 0.000 0.444 971 S N 1.536 117.236 115.700 0.000 0.000 2.503 971 S HA 0.102 4.587 4.470 0.024 0.000 0.217 971 S C 0.236 174.918 174.600 0.136 0.000 0.999 971 S CA 0.205 58.503 58.200 0.164 0.000 0.914 971 S CB -0.228 63.192 63.200 0.366 0.000 0.782 971 S HN 0.744 nan 8.310 nan 0.000 0.520 972 H N 0.672 119.764 119.070 0.036 0.000 2.759 972 H HA 0.480 5.051 4.556 0.025 0.000 0.354 972 H C 0.931 176.226 175.328 -0.055 0.000 1.074 972 H CA -0.777 55.343 56.048 0.120 0.000 1.226 972 H CB 1.513 31.318 29.762 0.072 0.000 1.648 972 H HN 0.113 nan 8.280 nan 0.000 0.529 973 R N 2.262 122.863 120.500 0.168 0.000 2.159 973 R HA -0.177 4.178 4.340 0.024 0.000 0.237 973 R C 1.056 177.362 176.300 0.010 0.000 1.131 973 R CA 1.882 58.013 56.100 0.052 0.000 0.982 973 R CB -0.424 29.959 30.300 0.139 0.000 0.868 973 R HN 0.787 nan 8.270 nan 0.000 0.453 974 H N 0.831 119.929 119.070 0.047 0.000 2.545 974 H HA 0.029 4.600 4.556 0.024 0.000 0.282 974 H C 1.410 176.670 175.328 -0.112 0.000 1.020 974 H CA 0.694 56.722 56.048 -0.034 0.000 1.243 974 H CB -0.119 29.619 29.762 -0.040 0.000 1.377 974 H HN 0.313 nan 8.280 nan 0.000 0.581 975 L N 0.969 121.860 121.223 -0.554 0.000 2.607 975 L HA 0.234 4.588 4.340 0.024 0.000 0.228 975 L C 0.643 177.398 176.870 -0.192 0.000 1.123 975 L CA -0.143 54.451 54.840 -0.409 0.000 0.890 975 L CB 0.188 41.957 42.059 -0.483 0.000 1.103 975 L HN 0.065 nan 8.230 nan 0.000 0.468 976 L N 0.773 121.858 121.223 -0.231 0.000 2.436 976 L HA 0.210 4.565 4.340 0.024 0.000 0.265 976 L C 0.028 176.842 176.870 -0.095 0.000 1.168 976 L CA -0.182 54.469 54.840 -0.315 0.000 0.815 976 L CB 0.563 42.201 42.059 -0.702 0.000 1.109 976 L HN 0.214 nan 8.230 nan 0.000 0.462 977 H N 1.249 120.323 119.070 0.006 0.000 2.771 977 H HA 0.507 5.078 4.556 0.025 0.000 0.361 977 H C -0.804 174.665 175.328 0.235 0.000 1.108 977 H CA -1.218 54.897 56.048 0.111 0.000 1.201 977 H CB 1.304 31.082 29.762 0.028 0.000 1.681 977 H HN 0.683 nan 8.280 nan 0.000 0.534 978 A N 3.559 126.514 122.820 0.225 0.000 2.566 978 A HA 0.031 4.366 4.320 0.024 0.000 0.245 978 A C 0.411 178.048 177.584 0.087 0.000 1.056 978 A CA 0.140 52.171 52.037 -0.010 0.000 0.757 978 A CB -0.242 18.722 19.000 -0.061 0.000 0.979 978 A HN 0.811 nan 8.150 nan 0.000 0.508 979 E N 1.288 121.516 120.200 0.047 0.000 2.359 979 E HA 0.219 4.584 4.350 0.024 0.000 0.255 979 E C -0.015 176.635 176.600 0.082 0.000 1.191 979 E CA -0.722 55.773 56.400 0.158 0.000 0.952 979 E CB 0.646 30.520 29.700 0.289 0.000 1.152 979 E HN 0.799 nan 8.360 nan 0.000 0.496 980 E N -0.015 120.230 120.200 0.076 0.000 2.360 980 E HA 0.256 4.621 4.350 0.024 0.000 0.269 980 E C 0.238 176.796 176.600 -0.071 0.000 1.022 980 E CA 0.487 56.889 56.400 0.003 0.000 0.887 980 E CB 0.509 30.208 29.700 -0.003 0.000 0.990 980 E HN 0.662 nan 8.360 nan 0.000 0.426 981 G N 2.843 111.597 108.800 -0.076 0.000 2.593 981 G HA2 -0.225 3.750 3.960 0.024 0.000 0.237 981 G HA3 -0.225 3.750 3.960 0.024 0.000 0.237 981 G C -0.628 174.202 174.900 -0.116 0.000 1.312 981 G CA -0.169 44.863 45.100 -0.114 0.000 0.896 981 G HN 0.606 nan 8.290 nan 0.000 0.574 982 T N 0.167 114.619 114.554 -0.170 0.000 2.879 982 T HA 0.516 4.881 4.350 0.024 0.000 0.290 982 T C -0.859 173.660 174.700 -0.302 0.000 0.993 982 T CA -0.163 61.846 62.100 -0.151 0.000 0.975 982 T CB 1.434 70.300 68.868 -0.003 0.000 0.981 982 T HN 0.571 nan 8.240 nan 0.000 0.439 983 W N 3.093 124.293 121.300 -0.168 0.000 2.322 983 W HA 0.611 5.285 4.660 0.025 0.000 0.307 983 W C -0.277 176.105 176.519 -0.228 0.000 1.220 983 W CA -0.715 56.530 57.345 -0.166 0.000 1.210 983 W CB 0.763 30.139 29.460 -0.141 0.000 1.223 983 W HN 0.395 nan 8.180 nan 0.000 0.511 984 L N 5.638 126.843 121.223 -0.030 0.000 2.325 984 L HA 0.507 4.861 4.340 0.024 0.000 0.281 984 L C -0.987 175.777 176.870 -0.178 0.000 1.004 984 L CA -0.371 54.335 54.840 -0.223 0.000 0.823 984 L CB 0.700 42.478 42.059 -0.469 0.000 1.236 984 L HN 0.314 nan 8.230 nan 0.000 0.415 985 N N 6.238 124.828 118.700 -0.184 0.000 2.443 985 N HA 0.441 5.196 4.740 0.024 0.000 0.269 985 N C -1.310 174.056 175.510 -0.240 0.000 0.985 985 N CA -0.209 52.733 53.050 -0.180 0.000 0.921 985 N CB 2.536 40.950 38.487 -0.123 0.000 1.195 985 N HN 0.609 nan 8.380 nan 0.000 0.492 986 I N 1.927 122.308 120.570 -0.314 0.000 2.411 986 I HA 0.223 4.408 4.170 0.024 0.000 0.284 986 I C -1.065 174.861 176.117 -0.318 0.000 1.012 986 I CA -0.545 60.526 61.300 -0.381 0.000 1.119 986 I CB 0.867 38.461 38.000 -0.677 0.000 1.261 986 I HN 0.237 nan 8.210 nan 0.000 0.448 987 D N 5.301 125.552 120.400 -0.249 0.000 2.217 987 D HA 0.298 4.953 4.640 0.024 0.000 0.243 987 D C 0.841 176.840 176.300 -0.501 0.000 1.054 987 D CA -0.210 53.584 54.000 -0.344 0.000 0.838 987 D CB 2.250 42.953 40.800 -0.162 0.000 1.162 987 D HN 0.698 nan 8.370 nan 0.000 0.472 988 G N 1.410 109.566 108.800 -1.074 0.000 2.403 988 G HA2 -0.038 3.937 3.960 0.024 0.000 0.216 988 G HA3 -0.038 3.937 3.960 0.024 0.000 0.216 988 G C 0.116 174.293 174.900 -1.205 0.000 1.154 988 G CA 0.612 44.926 45.100 -1.310 0.000 0.784 988 G HN 0.398 nan 8.290 nan 0.000 0.538 989 F N -2.206 117.548 119.950 -0.327 0.000 2.608 989 F HA 0.575 5.117 4.527 0.024 0.000 0.309 989 F C -0.570 175.134 175.800 -0.161 0.000 1.103 989 F CA -1.169 56.723 58.000 -0.180 0.000 0.954 989 F CB 2.029 40.866 39.000 -0.272 0.000 1.267 989 F HN 0.031 nan 8.300 nan 0.000 0.444 990 H N 1.755 120.841 119.070 0.026 0.000 2.806 990 H HA 0.561 5.132 4.556 0.024 0.000 0.367 990 H C -0.804 174.549 175.328 0.043 0.000 1.136 990 H CA -0.923 55.113 56.048 -0.019 0.000 1.178 990 H CB 1.917 31.656 29.762 -0.039 0.000 1.718 990 H HN 0.773 nan 8.280 nan 0.000 0.540 991 M N 3.292 122.850 119.600 -0.071 0.000 2.248 991 M HA 0.259 4.753 4.480 0.024 0.000 0.337 991 M C 0.512 176.930 176.300 0.197 0.000 1.121 991 M CA 0.275 55.600 55.300 0.042 0.000 1.155 991 M CB 0.346 32.873 32.600 -0.122 0.000 1.514 991 M HN 0.835 nan 8.290 nan 0.000 0.452 992 G N 3.259 112.161 108.800 0.171 0.000 2.699 992 G HA2 0.267 4.242 3.960 0.024 0.000 0.246 992 G HA3 0.267 4.242 3.960 0.024 0.000 0.246 992 G C 0.632 175.514 174.900 -0.031 0.000 1.219 992 G CA -0.402 44.723 45.100 0.041 0.000 0.866 992 G HN 0.982 nan 8.290 nan 0.000 0.572 993 I N -1.819 118.679 120.570 -0.120 0.000 3.645 993 I HA 0.386 4.571 4.170 0.024 0.000 0.300 993 I C 1.254 177.298 176.117 -0.121 0.000 1.260 993 I CA 0.455 61.647 61.300 -0.180 0.000 1.365 993 I CB -0.651 37.141 38.000 -0.347 0.000 1.077 993 I HN 0.915 nan 8.210 nan 0.000 0.439 994 G N 1.716 110.468 108.800 -0.080 0.000 2.645 994 G HA2 -0.011 3.964 3.960 0.024 0.000 0.246 994 G HA3 -0.011 3.964 3.960 0.024 0.000 0.246 994 G C 0.584 175.478 174.900 -0.011 0.000 1.322 994 G CA 0.247 45.339 45.100 -0.014 0.000 0.898 994 G HN 1.381 nan 8.290 nan 0.000 0.573 995 G N -2.409 106.401 108.800 0.018 0.000 2.559 995 G HA2 0.042 4.016 3.960 0.024 0.000 0.202 995 G HA3 0.042 4.016 3.960 0.024 0.000 0.202 995 G C 0.638 175.594 174.900 0.094 0.000 0.992 995 G CA 0.909 46.032 45.100 0.038 0.000 0.764 995 G HN 0.949 nan 8.290 nan 0.000 0.525 996 D N 1.202 121.672 120.400 0.117 0.000 2.172 996 D HA 0.056 4.710 4.640 0.024 0.000 0.196 996 D C 1.031 177.356 176.300 0.041 0.000 0.999 996 D CA 2.269 56.391 54.000 0.202 0.000 0.856 996 D CB 0.106 41.032 40.800 0.209 0.000 0.934 996 D HN 0.816 nan 8.370 nan 0.000 0.453 997 D N -3.520 116.694 120.400 -0.310 0.000 2.639 997 D HA 0.299 4.954 4.640 0.024 0.000 0.271 997 D C -0.925 174.851 176.300 -0.874 0.000 1.254 997 D CA -0.735 52.649 54.000 -1.026 0.000 0.810 997 D CB 0.861 40.551 40.800 -1.849 0.000 1.351 997 D HN -0.282 nan 8.370 nan 0.000 0.427 998 S N -0.295 114.766 115.700 -1.066 0.000 2.624 998 S HA 0.252 4.737 4.470 0.024 0.000 0.246 998 S C -0.533 174.096 174.600 0.048 0.000 1.072 998 S CA -0.663 57.395 58.200 -0.237 0.000 1.045 998 S CB -0.605 62.705 63.200 0.184 0.000 0.851 998 S HN 0.612 nan 8.310 nan 0.000 0.480 999 W N 0.900 122.160 121.300 -0.067 0.000 2.284 999 W HA 0.543 5.217 4.660 0.024 0.000 0.334 999 W C -0.028 176.449 176.519 -0.070 0.000 0.917 999 W CA -0.517 56.785 57.345 -0.073 0.000 1.621 999 W CB -0.511 28.825 29.460 -0.206 0.000 1.129 999 W HN 0.181 nan 8.180 nan 0.000 0.528 1000 S N -1.175 114.408 115.700 -0.195 0.000 2.565 1000 S HA 0.617 5.101 4.470 0.024 0.000 0.269 1000 S C -3.156 171.381 174.600 -0.104 0.000 1.153 1000 S CA -1.660 56.472 58.200 -0.112 0.000 0.835 1000 S CB 1.635 64.788 63.200 -0.077 0.000 1.122 1000 S HN -0.216 nan 8.310 nan 0.000 0.462 1001 P HA 0.193 nan 4.420 nan 0.000 0.262 1001 P C 0.347 177.684 177.300 0.062 0.000 1.199 1001 P CA 0.012 63.120 63.100 0.014 0.000 0.763 1001 P CB 0.579 32.155 31.700 -0.207 0.000 0.790 1002 S N 0.843 116.617 115.700 0.123 0.000 2.819 1002 S HA 0.157 4.641 4.470 0.024 0.000 0.249 1002 S C 0.178 174.861 174.600 0.138 0.000 1.030 1002 S CA -0.338 57.909 58.200 0.078 0.000 1.052 1002 S CB -0.267 62.928 63.200 -0.008 0.000 1.017 1002 S HN 0.111 nan 8.310 nan 0.000 0.576 1003 V N 2.704 122.751 119.914 0.223 0.000 2.455 1003 V HA 0.383 4.518 4.120 0.024 0.000 0.273 1003 V C 0.810 177.056 176.094 0.254 0.000 1.045 1003 V CA -0.339 62.077 62.300 0.193 0.000 0.976 1003 V CB 1.047 32.936 31.823 0.109 0.000 0.993 1003 V HN 0.506 nan 8.190 nan 0.000 0.475 1004 S N 3.832 119.695 115.700 0.272 0.000 2.563 1004 S HA 0.219 4.703 4.470 0.024 0.000 0.284 1004 S C 1.552 176.303 174.600 0.251 0.000 1.331 1004 S CA 0.118 58.480 58.200 0.271 0.000 1.047 1004 S CB 1.012 64.417 63.200 0.342 0.000 0.859 1004 S HN 1.004 nan 8.310 nan 0.000 0.514 1005 A N 3.447 126.366 122.820 0.164 0.000 1.986 1005 A HA -0.144 4.191 4.320 0.024 0.000 0.220 1005 A C 1.998 179.610 177.584 0.047 0.000 1.171 1005 A CA 1.795 53.910 52.037 0.131 0.000 0.640 1005 A CB -0.540 18.514 19.000 0.090 0.000 0.811 1005 A HN 0.941 nan 8.150 nan 0.000 0.451 1006 E N -0.878 119.285 120.200 -0.062 0.000 2.478 1006 E HA -0.086 4.279 4.350 0.024 0.000 0.198 1006 E C 0.798 177.111 176.600 -0.479 0.000 1.046 1006 E CA 0.593 56.825 56.400 -0.279 0.000 0.870 1006 E CB -0.447 29.014 29.700 -0.399 0.000 0.818 1006 E HN 0.671 nan 8.360 nan 0.000 0.527 1007 F N 1.252 121.253 119.950 0.085 0.000 2.695 1007 F HA 0.253 4.794 4.527 0.024 0.000 0.303 1007 F C 0.984 176.823 175.800 0.065 0.000 1.091 1007 F CA -0.394 57.655 58.000 0.082 0.000 1.300 1007 F CB 0.435 39.484 39.000 0.082 0.000 1.071 1007 F HN -0.183 nan 8.300 nan 0.000 0.578 1008 Q N 1.309 121.220 119.800 0.184 0.000 2.259 1008 Q HA 0.344 4.699 4.340 0.024 0.000 0.249 1008 Q C -0.083 175.942 176.000 0.042 0.000 0.914 1008 Q CA -0.400 55.496 55.803 0.155 0.000 0.904 1008 Q CB 1.649 30.579 28.738 0.320 0.000 1.213 1008 Q HN 0.254 nan 8.270 nan 0.000 0.428 1009 L N 2.534 123.764 121.223 0.012 0.000 2.423 1009 L HA 0.088 4.442 4.340 0.024 0.000 0.249 1009 L C 0.721 177.534 176.870 -0.096 0.000 1.276 1009 L CA -0.016 54.793 54.840 -0.052 0.000 1.199 1009 L CB -0.484 41.434 42.059 -0.235 0.000 1.407 1009 L HN 0.672 nan 8.230 nan 0.000 0.410 1010 S N -1.365 114.174 115.700 -0.270 0.000 2.568 1010 S HA 0.158 4.643 4.470 0.024 0.000 0.232 1010 S C 1.660 176.170 174.600 -0.150 0.000 0.975 1010 S CA 0.151 57.996 58.200 -0.591 0.000 0.949 1010 S CB 0.725 63.408 63.200 -0.861 0.000 0.829 1010 S HN 0.507 nan 8.310 nan 0.000 0.479 1011 A N 1.560 124.352 122.820 -0.047 0.000 2.019 1011 A HA 0.417 4.752 4.320 0.024 0.000 0.219 1011 A C 2.123 179.541 177.584 -0.275 0.000 1.164 1011 A CA 1.401 53.253 52.037 -0.308 0.000 0.644 1011 A CB -1.258 17.320 19.000 -0.704 0.000 0.805 1011 A HN 1.523 nan 8.150 nan 0.000 0.449 1012 G N -1.674 107.059 108.800 -0.113 0.000 2.454 1012 G HA2 -0.267 3.708 3.960 0.024 0.000 0.225 1012 G HA3 -0.267 3.708 3.960 0.024 0.000 0.225 1012 G C 0.430 175.290 174.900 -0.065 0.000 1.138 1012 G CA 0.347 45.434 45.100 -0.022 0.000 0.667 1012 G HN 0.693 nan 8.290 nan 0.000 0.512 1013 R N -0.567 119.752 120.500 -0.303 0.000 2.575 1013 R HA 0.666 5.021 4.340 0.024 0.000 0.293 1013 R C -1.675 174.332 176.300 -0.488 0.000 0.983 1013 R CA -0.583 55.400 56.100 -0.195 0.000 0.887 1013 R CB 1.607 31.845 30.300 -0.103 0.000 1.184 1013 R HN 0.237 nan 8.270 nan 0.000 0.445 1014 Y N 0.636 120.929 120.300 -0.011 0.000 2.406 1014 Y HA 0.313 4.877 4.550 0.024 0.000 0.340 1014 Y C -0.439 175.609 175.900 0.246 0.000 0.975 1014 Y CA -0.825 57.244 58.100 -0.052 0.000 1.056 1014 Y CB 2.118 40.438 38.460 -0.232 0.000 1.210 1014 Y HN 0.578 nan 8.280 nan 0.000 0.448 1015 H N 3.416 122.761 119.070 0.458 0.000 2.538 1015 H HA 0.603 5.174 4.556 0.024 0.000 0.353 1015 H C -1.673 174.048 175.328 0.655 0.000 1.109 1015 H CA -0.927 55.377 56.048 0.428 0.000 1.192 1015 H CB 1.117 31.023 29.762 0.241 0.000 1.555 1015 H HN 0.588 nan 8.280 nan 0.000 0.518 1016 Y N 1.971 122.071 120.300 -0.332 0.000 2.581 1016 Y HA 0.430 4.995 4.550 0.025 0.000 0.337 1016 Y C -1.946 173.758 175.900 -0.326 0.000 1.108 1016 Y CA -1.103 56.869 58.100 -0.214 0.000 1.033 1016 Y CB 1.381 39.785 38.460 -0.095 0.000 1.318 1016 Y HN 0.766 nan 8.280 nan 0.000 0.459 1017 Q N 4.132 123.934 119.800 0.003 0.000 2.379 1017 Q HA 0.774 5.128 4.340 0.024 0.000 0.278 1017 Q C -2.345 173.745 176.000 0.150 0.000 1.068 1017 Q CA -1.107 54.692 55.803 -0.007 0.000 0.816 1017 Q CB 3.502 32.277 28.738 0.061 0.000 1.387 1017 Q HN 1.042 nan 8.270 nan 0.000 0.413 1018 L N 1.538 122.838 121.223 0.128 0.000 2.465 1018 L HA 0.723 5.078 4.340 0.024 0.000 0.257 1018 L C -1.744 175.255 176.870 0.214 0.000 0.988 1018 L CA -1.068 53.895 54.840 0.206 0.000 0.827 1018 L CB 2.622 44.779 42.059 0.163 0.000 1.397 1018 L HN 0.668 nan 8.230 nan 0.000 0.410 1019 V N 2.816 122.886 119.914 0.260 0.000 2.409 1019 V HA 0.374 4.509 4.120 0.024 0.000 0.291 1019 V C -1.068 175.221 176.094 0.324 0.000 1.020 1019 V CA -0.375 62.080 62.300 0.258 0.000 0.848 1019 V CB 1.745 33.690 31.823 0.204 0.000 0.990 1019 V HN 0.648 nan 8.190 nan 0.000 0.430 1020 W N 7.119 128.500 121.300 0.134 0.000 2.433 1020 W HA 0.716 5.391 4.660 0.025 0.000 0.315 1020 W C -0.217 176.305 176.519 0.005 0.000 1.087 1020 W CA -1.137 56.199 57.345 -0.015 0.000 1.205 1020 W CB 1.393 30.898 29.460 0.075 0.000 1.288 1020 W HN 0.853 nan 8.180 nan 0.000 0.504 1021 C N 3.659 123.259 119.300 0.501 0.000 3.332 1021 C HA 0.645 5.120 4.460 0.024 0.000 0.329 1021 C C -0.668 174.455 174.990 0.223 0.000 1.434 1021 C CA -0.957 58.242 59.018 0.303 0.000 1.314 1021 C CB 1.504 29.358 27.740 0.190 0.000 1.664 1021 C HN 0.737 nan 8.230 nan 0.000 0.457 1022 Q N 1.688 121.560 119.800 0.121 0.000 2.256 1022 Q HA 0.639 4.994 4.340 0.024 0.000 0.257 1022 Q C -0.580 175.427 176.000 0.012 0.000 0.936 1022 Q CA -0.245 55.576 55.803 0.030 0.000 0.903 1022 Q CB 1.222 29.942 28.738 -0.031 0.000 1.263 1022 Q HN 0.854 nan 8.270 nan 0.000 0.440 1023 K N 0.000 120.384 120.400 -0.027 0.000 2.780 1023 K HA 0.000 4.335 4.320 0.024 0.000 0.191 1023 K CA 0.000 56.276 56.287 -0.019 0.000 0.838 1023 K CB 0.000 32.500 32.500 0.000 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543