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 1px4_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 ANIETHGMVP 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 IAVSEATRID 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 0.000 176.099 176.300 -0.334 0.000 0.893 13 R CA 0.000 55.972 56.100 -0.213 0.000 0.921 13 R CB 0.000 30.179 30.300 -0.202 0.000 0.687 14 R N 2.023 122.213 120.500 -0.517 0.000 3.225 14 R HA -0.158 4.196 4.340 0.024 0.000 0.245 14 R C -0.300 175.483 176.300 -0.863 0.000 0.928 14 R CA 0.885 56.300 56.100 -1.141 0.000 0.632 14 R CB -1.349 28.375 30.300 -0.959 0.000 1.038 14 R HN 0.312 nan 8.270 nan 0.000 0.461 15 D N -0.128 119.951 120.400 -0.535 0.000 2.309 15 D HA -0.168 4.487 4.640 0.024 0.000 0.212 15 D C 1.581 177.783 176.300 -0.163 0.000 0.968 15 D CA 1.571 55.336 54.000 -0.391 0.000 0.882 15 D CB -0.103 40.303 40.800 -0.656 0.000 0.918 15 D HN 0.725 nan 8.370 nan 0.000 0.503 16 W N 1.306 122.614 121.300 0.014 0.000 3.292 16 W HA 0.213 4.888 4.660 0.024 0.000 0.263 16 W C 0.343 176.952 176.519 0.151 0.000 1.318 16 W CA -0.289 57.170 57.345 0.191 0.000 1.663 16 W CB -0.206 29.418 29.460 0.274 0.000 1.114 16 W HN -0.212 nan 8.180 nan 0.000 0.706 17 E N 1.348 121.427 120.200 -0.202 0.000 3.858 17 E HA 0.060 4.424 4.350 0.024 0.000 0.208 17 E C -0.869 175.582 176.600 -0.249 0.000 1.041 17 E CA -0.226 56.071 56.400 -0.171 0.000 1.368 17 E CB -0.199 29.375 29.700 -0.209 0.000 1.176 17 E HN 0.031 nan 8.360 nan 0.000 0.448 18 N N 1.014 119.607 118.700 -0.179 0.000 2.699 18 N HA 0.116 4.870 4.740 0.024 0.000 0.271 18 N C -2.460 172.914 175.510 -0.226 0.000 1.216 18 N CA -1.709 51.200 53.050 -0.235 0.000 0.844 18 N CB 1.441 39.799 38.487 -0.216 0.000 1.462 18 N HN -0.149 nan 8.380 nan 0.000 0.555 19 P HA 0.087 nan 4.420 nan 0.000 0.234 19 P C 1.062 178.128 177.300 -0.391 0.000 1.167 19 P CA 0.569 63.355 63.100 -0.523 0.000 0.763 19 P CB 0.106 30.999 31.700 -1.345 0.000 0.835 20 G N -0.487 108.128 108.800 -0.309 0.000 2.712 20 G HA2 0.071 4.045 3.960 0.024 0.000 0.212 20 G HA3 0.071 4.045 3.960 0.024 0.000 0.212 20 G C 0.259 175.077 174.900 -0.137 0.000 1.142 20 G CA 0.165 45.132 45.100 -0.223 0.000 0.789 20 G HN 0.206 nan 8.290 nan 0.000 0.535 21 V N 1.698 121.548 119.914 -0.106 0.000 2.325 21 V HA 0.272 4.407 4.120 0.024 0.000 0.280 21 V C 0.838 176.982 176.094 0.083 0.000 1.016 21 V CA 0.064 62.350 62.300 -0.024 0.000 0.818 21 V CB 1.175 32.962 31.823 -0.060 0.000 1.019 21 V HN 0.315 nan 8.190 nan 0.000 0.434 22 T N 0.615 115.215 114.554 0.077 0.000 3.069 22 T HA 0.384 4.749 4.350 0.024 0.000 0.252 22 T C 0.253 175.014 174.700 0.101 0.000 1.053 22 T CA 0.094 62.253 62.100 0.099 0.000 0.964 22 T CB 0.247 69.121 68.868 0.010 0.000 1.005 22 T HN 0.707 nan 8.240 nan 0.000 0.532 23 Q N 0.098 120.010 119.800 0.186 0.000 2.900 23 Q HA 0.662 5.016 4.340 0.024 0.000 0.297 23 Q C -2.309 173.839 176.000 0.246 0.000 0.889 23 Q CA -1.061 54.850 55.803 0.179 0.000 0.777 23 Q CB 0.705 29.453 28.738 0.017 0.000 1.518 23 Q HN 0.212 nan 8.270 nan 0.000 0.430 24 L N 1.455 122.844 121.223 0.276 0.000 2.505 24 L HA 0.601 4.956 4.340 0.024 0.000 0.266 24 L C -0.624 176.377 176.870 0.218 0.000 0.954 24 L CA -0.858 54.138 54.840 0.260 0.000 0.852 24 L CB 1.995 44.309 42.059 0.426 0.000 1.282 24 L HN 0.861 nan 8.230 nan 0.000 0.403 25 N N 0.792 119.591 118.700 0.165 0.000 2.800 25 N HA -0.208 4.546 4.740 0.024 0.000 0.250 25 N C 0.208 175.830 175.510 0.185 0.000 1.078 25 N CA 0.877 54.019 53.050 0.154 0.000 0.804 25 N CB -0.764 37.760 38.487 0.061 0.000 1.135 25 N HN 0.672 nan 8.380 nan 0.000 0.565 26 R N 1.132 121.659 120.500 0.045 0.000 2.438 26 R HA 0.380 4.734 4.340 0.024 0.000 0.287 26 R C 0.499 176.656 176.300 -0.238 0.000 1.077 26 R CA -0.325 55.554 56.100 -0.368 0.000 1.034 26 R CB 0.532 30.594 30.300 -0.396 0.000 0.993 26 R HN 0.123 nan 8.270 nan 0.000 0.459 27 L N 2.966 124.014 121.223 -0.291 0.000 2.466 27 L HA 0.308 4.662 4.340 0.024 0.000 0.257 27 L C 0.676 177.490 176.870 -0.094 0.000 1.189 27 L CA -0.581 54.186 54.840 -0.122 0.000 0.813 27 L CB 0.816 42.833 42.059 -0.070 0.000 1.118 27 L HN 0.790 nan 8.230 nan 0.000 0.471 28 A N 1.277 124.083 122.820 -0.024 0.000 2.483 28 A HA 0.479 4.814 4.320 0.024 0.000 0.238 28 A C 0.290 177.875 177.584 0.003 0.000 1.070 28 A CA 0.013 52.043 52.037 -0.011 0.000 0.770 28 A CB 0.171 19.189 19.000 0.031 0.000 1.008 28 A HN 0.788 nan 8.150 nan 0.000 0.497 29 A N 1.337 124.113 122.820 -0.072 0.000 2.332 29 A HA 0.680 5.014 4.320 0.024 0.000 0.258 29 A C 0.102 177.598 177.584 -0.146 0.000 1.087 29 A CA 0.521 52.444 52.037 -0.189 0.000 0.802 29 A CB -0.061 18.823 19.000 -0.193 0.000 1.042 29 A HN 2.004 nan 8.150 nan 0.000 0.489 30 H N -2.338 116.579 119.070 -0.255 0.000 2.935 30 H HA 0.607 5.178 4.556 0.024 0.000 0.297 30 H C -3.450 171.592 175.328 -0.477 0.000 1.423 30 H CA -1.688 54.145 56.048 -0.358 0.000 1.161 30 H CB 0.054 29.497 29.762 -0.530 0.000 1.841 30 H HN 0.383 nan 8.280 nan 0.000 0.506 31 P HA 0.232 nan 4.420 nan 0.000 0.274 31 P C -2.606 174.535 177.300 -0.265 0.000 1.256 31 P CA -1.468 61.429 63.100 -0.339 0.000 0.795 31 P CB -0.205 31.225 31.700 -0.449 0.000 1.038 32 P HA 0.039 nan 4.420 nan 0.000 0.261 32 P C -0.785 176.712 177.300 0.328 0.000 1.183 32 P CA 1.127 64.268 63.100 0.068 0.000 0.761 32 P CB -0.145 31.639 31.700 0.139 0.000 0.785 33 F N 1.425 121.484 119.950 0.182 0.000 2.538 33 F HA 0.598 5.140 4.527 0.024 0.000 0.325 33 F C 0.987 176.724 175.800 -0.105 0.000 1.066 33 F CA -1.026 57.018 58.000 0.074 0.000 0.946 33 F CB 2.180 41.177 39.000 -0.005 0.000 1.199 33 F HN 0.213 nan 8.300 nan 0.000 0.473 34 A N 0.472 123.227 122.820 -0.108 0.000 2.606 34 A HA 0.231 4.566 4.320 0.024 0.000 0.230 34 A C 0.623 177.904 177.584 -0.505 0.000 1.279 34 A CA 0.340 52.065 52.037 -0.520 0.000 1.010 34 A CB -0.082 18.129 19.000 -1.314 0.000 1.271 34 A HN 0.735 nan 8.150 nan 0.000 0.584 35 S N 0.607 116.127 115.700 -0.300 0.000 3.477 35 S HA -0.150 4.334 4.470 0.024 0.000 0.371 35 S C 0.040 174.569 174.600 -0.119 0.000 0.965 35 S CA 0.434 58.516 58.200 -0.197 0.000 1.239 35 S CB -1.533 61.554 63.200 -0.188 0.000 0.918 35 S HN 0.470 nan 8.310 nan 0.000 0.498 36 W N 1.579 122.863 121.300 -0.028 0.000 2.158 36 W HA 0.238 4.912 4.660 0.023 0.000 0.339 36 W C 1.347 177.846 176.519 -0.034 0.000 1.294 36 W CA -0.555 56.779 57.345 -0.020 0.000 1.231 36 W CB 0.225 29.674 29.460 -0.018 0.000 1.143 36 W HN 0.318 nan 8.180 nan 0.000 0.571 37 R N 1.924 122.552 120.500 0.213 0.000 2.613 37 R HA 0.096 4.450 4.340 0.024 0.000 0.361 37 R C -0.133 176.220 176.300 0.088 0.000 1.072 37 R CA -0.140 56.025 56.100 0.109 0.000 1.089 37 R CB -0.182 30.152 30.300 0.057 0.000 1.343 37 R HN 0.366 nan 8.270 nan 0.000 0.571 38 N N 0.027 118.790 118.700 0.105 0.000 2.478 38 N HA 0.097 4.851 4.740 0.024 0.000 0.291 38 N C -0.110 175.367 175.510 -0.055 0.000 1.090 38 N CA 0.001 53.063 53.050 0.021 0.000 0.911 38 N CB 1.798 40.296 38.487 0.019 0.000 1.546 38 N HN -0.244 nan 8.380 nan 0.000 0.500 39 S N 2.364 118.014 115.700 -0.084 0.000 2.399 39 S HA -0.172 4.312 4.470 0.024 0.000 0.231 39 S C 1.419 175.850 174.600 -0.281 0.000 1.022 39 S CA 1.226 59.335 58.200 -0.152 0.000 0.983 39 S CB 0.001 63.143 63.200 -0.097 0.000 0.803 39 S HN 0.781 nan 8.310 nan 0.000 0.480 40 E N 1.567 121.615 120.200 -0.253 0.000 2.150 40 E HA -0.135 4.229 4.350 0.024 0.000 0.193 40 E C 1.798 178.168 176.600 -0.384 0.000 0.985 40 E CA 1.020 57.225 56.400 -0.324 0.000 0.814 40 E CB -0.103 29.461 29.700 -0.227 0.000 0.752 40 E HN 0.273 nan 8.360 nan 0.000 0.466 41 E N 0.183 120.161 120.200 -0.370 0.000 2.106 41 E HA -0.102 4.262 4.350 0.024 0.000 0.192 41 E C 1.977 177.947 176.600 -1.050 0.000 0.984 41 E CA 1.061 57.185 56.400 -0.461 0.000 0.806 41 E CB -0.414 29.153 29.700 -0.223 0.000 0.750 41 E HN 0.406 nan 8.360 nan 0.000 0.458 42 A N 1.531 123.587 122.820 -1.273 0.000 1.898 42 A HA -0.181 4.154 4.320 0.024 0.000 0.216 42 A C 2.239 179.235 177.584 -0.980 0.000 1.181 42 A CA 1.588 52.553 52.037 -1.786 0.000 0.620 42 A CB -0.485 18.004 19.000 -0.853 0.000 0.819 42 A HN 0.127 nan 8.150 nan 0.000 0.442 43 R N -0.195 119.913 120.500 -0.653 0.000 2.091 43 R HA -0.141 4.213 4.340 0.024 0.000 0.238 43 R C 1.931 177.982 176.300 -0.416 0.000 1.136 43 R CA 2.101 57.883 56.100 -0.531 0.000 0.959 43 R CB -0.462 29.408 30.300 -0.718 0.000 0.856 43 R HN 0.633 nan 8.270 nan 0.000 0.437 44 T N -2.501 111.813 114.554 -0.400 0.000 3.129 44 T HA 0.032 4.396 4.350 0.024 0.000 0.251 44 T C 0.244 174.851 174.700 -0.155 0.000 1.117 44 T CA 0.493 62.449 62.100 -0.241 0.000 1.034 44 T CB 0.021 68.772 68.868 -0.196 0.000 0.968 44 T HN 0.351 nan 8.240 nan 0.000 0.526 45 D N 0.934 121.196 120.400 -0.230 0.000 2.772 45 D HA -0.159 4.495 4.640 0.024 0.000 0.233 45 D C -0.057 176.360 176.300 0.195 0.000 1.143 45 D CA 0.417 54.437 54.000 0.033 0.000 0.700 45 D CB -1.108 39.759 40.800 0.112 0.000 1.076 45 D HN 0.578 nan 8.370 nan 0.000 0.430 46 R N 0.122 120.714 120.500 0.153 0.000 2.528 46 R HA 0.499 4.854 4.340 0.024 0.000 0.271 46 R C -2.122 174.447 176.300 0.450 0.000 1.056 46 R CA -1.551 54.685 56.100 0.228 0.000 1.117 46 R CB 0.399 30.767 30.300 0.114 0.000 1.085 46 R HN 0.060 nan 8.270 nan 0.000 0.530 47 P HA -0.054 nan 4.420 nan 0.000 0.265 47 P C -0.725 176.724 177.300 0.249 0.000 1.193 47 P CA 0.279 63.512 63.100 0.222 0.000 0.765 47 P CB 0.760 32.546 31.700 0.144 0.000 0.823 48 S N 2.100 117.854 115.700 0.090 0.000 2.489 48 S HA 0.119 4.604 4.470 0.024 0.000 0.291 48 S C 1.092 175.713 174.600 0.035 0.000 1.151 48 S CA -0.573 57.608 58.200 -0.031 0.000 1.082 48 S CB 0.451 63.330 63.200 -0.536 0.000 1.019 48 S HN 0.221 nan 8.310 nan 0.000 0.492 49 Q N 2.830 122.683 119.800 0.088 0.000 2.364 49 Q HA -0.033 4.321 4.340 0.024 0.000 0.207 49 Q C 0.899 177.016 176.000 0.195 0.000 0.970 49 Q CA 1.115 57.001 55.803 0.138 0.000 0.888 49 Q CB -0.200 28.620 28.738 0.136 0.000 0.951 49 Q HN 0.696 nan 8.270 nan 0.000 0.469 50 Q N -0.170 119.664 119.800 0.056 0.000 2.320 50 Q HA 0.153 4.507 4.340 0.024 0.000 0.201 50 Q C -0.390 175.666 176.000 0.094 0.000 0.910 50 Q CA 0.085 55.878 55.803 -0.016 0.000 0.946 50 Q CB 0.417 29.044 28.738 -0.185 0.000 1.062 50 Q HN 0.045 nan 8.270 nan 0.000 0.503 51 L N 0.689 121.987 121.223 0.126 0.000 2.377 51 L HA 0.442 4.796 4.340 0.024 0.000 0.270 51 L C -1.186 175.781 176.870 0.161 0.000 0.991 51 L CA -0.378 54.535 54.840 0.122 0.000 0.851 51 L CB 0.996 43.038 42.059 -0.027 0.000 1.218 51 L HN -0.104 nan 8.230 nan 0.000 0.420 52 R N 2.313 122.942 120.500 0.215 0.000 2.604 52 R HA 0.604 4.958 4.340 0.024 0.000 0.287 52 R C -0.426 175.894 176.300 0.033 0.000 0.970 52 R CA -0.682 55.478 56.100 0.099 0.000 0.946 52 R CB 1.937 32.241 30.300 0.008 0.000 1.127 52 R HN 0.642 nan 8.270 nan 0.000 0.473 53 S N 2.201 117.911 115.700 0.017 0.000 2.537 53 S HA 0.245 4.729 4.470 0.024 0.000 0.275 53 S C 0.557 175.150 174.600 -0.012 0.000 1.272 53 S CA -0.654 57.546 58.200 0.001 0.000 1.050 53 S CB 0.481 63.693 63.200 0.020 0.000 0.961 53 S HN 0.558 nan 8.310 nan 0.000 0.496 54 L N 3.832 125.042 121.223 -0.021 0.000 2.791 54 L HA 0.304 4.659 4.340 0.024 0.000 0.239 54 L C 0.200 177.194 176.870 0.206 0.000 1.203 54 L CA -0.385 54.464 54.840 0.016 0.000 1.002 54 L CB -0.385 41.633 42.059 -0.069 0.000 1.295 54 L HN 0.524 nan 8.230 nan 0.000 0.504 55 N N 1.008 119.780 118.700 0.120 0.000 2.482 55 N HA 0.542 5.296 4.740 0.024 0.000 0.260 55 N C 0.633 176.254 175.510 0.186 0.000 1.236 55 N CA 0.904 54.033 53.050 0.131 0.000 0.938 55 N CB 1.480 39.987 38.487 0.035 0.000 1.128 55 N HN 0.291 nan 8.380 nan 0.000 0.448 56 G N 0.455 109.386 108.800 0.218 0.000 2.292 56 G HA2 -0.075 3.899 3.960 0.024 0.000 0.194 56 G HA3 -0.075 3.899 3.960 0.024 0.000 0.194 56 G C -1.575 173.516 174.900 0.318 0.000 1.329 56 G CA -0.771 44.452 45.100 0.205 0.000 1.100 56 G HN 0.478 nan 8.290 nan 0.000 0.470 57 E N 0.144 120.514 120.200 0.283 0.000 2.194 57 E HA 0.480 4.844 4.350 0.024 0.000 0.284 57 E C -0.955 175.895 176.600 0.418 0.000 1.035 57 E CA -0.214 56.371 56.400 0.308 0.000 0.836 57 E CB 1.122 30.928 29.700 0.176 0.000 1.070 57 E HN 0.366 nan 8.360 nan 0.000 0.401 58 W N 1.650 123.043 121.300 0.155 0.000 2.869 58 W HA 0.418 5.092 4.660 0.024 0.000 0.345 58 W C 0.197 176.850 176.519 0.224 0.000 1.191 58 W CA -0.739 56.730 57.345 0.206 0.000 1.104 58 W CB 0.780 30.422 29.460 0.303 0.000 1.471 58 W HN 0.196 nan 8.180 nan 0.000 0.612 59 R N 1.251 122.045 120.500 0.489 0.000 2.532 59 R HA 0.616 4.971 4.340 0.024 0.000 0.295 59 R C -1.542 175.030 176.300 0.454 0.000 0.968 59 R CA -0.912 55.413 56.100 0.374 0.000 0.916 59 R CB 1.440 31.898 30.300 0.262 0.000 1.124 59 R HN 0.449 nan 8.270 nan 0.000 0.463 60 F N 0.201 120.207 119.950 0.092 0.000 2.608 60 F HA 0.612 5.153 4.527 0.024 0.000 0.309 60 F C -1.588 174.070 175.800 -0.237 0.000 1.103 60 F CA -0.667 57.245 58.000 -0.147 0.000 0.954 60 F CB 2.007 40.814 39.000 -0.321 0.000 1.267 60 F HN 0.611 nan 8.300 nan 0.000 0.444 61 A N 4.539 126.607 122.820 -1.252 0.000 2.374 61 A HA 0.548 4.882 4.320 0.024 0.000 0.305 61 A C -2.271 174.338 177.584 -1.624 0.000 1.053 61 A CA -0.504 50.863 52.037 -1.118 0.000 0.726 61 A CB 0.612 19.279 19.000 -0.555 0.000 1.229 61 A HN 0.931 nan 8.150 nan 0.000 0.431 62 W N 3.212 123.625 121.300 -1.479 0.000 2.365 62 W HA 0.704 5.379 4.660 0.024 0.000 0.316 62 W C -1.681 174.118 176.519 -1.199 0.000 1.164 62 W CA -0.142 56.496 57.345 -1.179 0.000 1.204 62 W CB 0.756 29.833 29.460 -0.640 0.000 1.213 62 W HN 0.492 nan 8.180 nan 0.000 0.539 63 F N 6.543 125.784 119.950 -1.181 0.000 2.577 63 F HA 0.372 4.913 4.527 0.024 0.000 0.318 63 F C -1.240 173.644 175.800 -1.527 0.000 1.065 63 F CA -2.300 55.124 58.000 -0.959 0.000 0.929 63 F CB 1.829 40.426 39.000 -0.672 0.000 1.237 63 F HN 0.219 nan 8.300 nan 0.000 0.468 64 P HA 0.129 nan 4.420 nan 0.000 0.236 64 P C -0.437 176.742 177.300 -0.200 0.000 1.177 64 P CA 0.785 63.630 63.100 -0.425 0.000 0.773 64 P CB 0.631 32.358 31.700 0.044 0.000 0.878 65 A N -0.545 122.159 122.820 -0.193 0.000 2.599 65 A HA 0.491 4.826 4.320 0.024 0.000 0.294 65 A C -2.458 175.030 177.584 -0.160 0.000 1.055 65 A CA -0.920 51.054 52.037 -0.104 0.000 0.683 65 A CB 0.393 19.396 19.000 0.005 0.000 1.278 65 A HN -0.296 nan 8.150 nan 0.000 0.412 66 P HA -0.112 nan 4.420 nan 0.000 0.220 66 P C 0.711 177.921 177.300 -0.150 0.000 1.148 66 P CA 1.454 64.425 63.100 -0.215 0.000 0.803 66 P CB 0.245 31.782 31.700 -0.271 0.000 0.782 67 E N 0.086 120.258 120.200 -0.047 0.000 2.333 67 E HA -0.051 4.313 4.350 0.024 0.000 0.198 67 E C 1.927 178.464 176.600 -0.104 0.000 1.007 67 E CA 1.141 57.521 56.400 -0.033 0.000 0.845 67 E CB -0.827 28.887 29.700 0.023 0.000 0.766 67 E HN 0.260 nan 8.360 nan 0.000 0.507 68 A N 0.179 122.904 122.820 -0.159 0.000 2.275 68 A HA 0.139 4.473 4.320 0.024 0.000 0.212 68 A C 0.552 177.856 177.584 -0.467 0.000 1.201 68 A CA -0.231 51.702 52.037 -0.173 0.000 0.843 68 A CB 0.386 19.374 19.000 -0.019 0.000 0.873 68 A HN 0.028 nan 8.150 nan 0.000 0.492 69 V N 3.145 122.677 119.914 -0.636 0.000 2.470 69 V HA 0.180 4.315 4.120 0.024 0.000 0.276 69 V C -2.164 173.582 176.094 -0.580 0.000 1.040 69 V CA -1.398 60.286 62.300 -1.026 0.000 1.008 69 V CB 0.581 31.852 31.823 -0.921 0.000 0.990 69 V HN 0.301 nan 8.190 nan 0.000 0.477 70 P HA 0.182 nan 4.420 nan 0.000 0.271 70 P C 0.388 177.610 177.300 -0.131 0.000 1.216 70 P CA -0.250 62.720 63.100 -0.217 0.000 0.776 70 P CB 0.990 32.619 31.700 -0.119 0.000 0.881 71 E N 1.017 121.162 120.200 -0.093 0.000 2.268 71 E HA -0.146 4.219 4.350 0.024 0.000 0.195 71 E C 1.883 178.448 176.600 -0.059 0.000 0.995 71 E CA 1.439 57.791 56.400 -0.079 0.000 0.836 71 E CB -0.659 29.000 29.700 -0.069 0.000 0.763 71 E HN 0.539 nan 8.360 nan 0.000 0.491 72 S N -0.474 115.210 115.700 -0.026 0.000 2.400 72 S HA -0.233 4.251 4.470 0.024 0.000 0.232 72 S C 1.899 176.498 174.600 -0.002 0.000 1.025 72 S CA 0.960 59.153 58.200 -0.013 0.000 0.993 72 S CB -0.916 62.287 63.200 0.005 0.000 0.808 72 S HN 0.565 nan 8.310 nan 0.000 0.478 73 W N 2.424 123.622 121.300 -0.171 0.000 2.341 73 W HA -0.039 4.635 4.660 0.024 0.000 0.283 73 W C 1.614 178.012 176.519 -0.203 0.000 1.215 73 W CA 1.137 58.377 57.345 -0.174 0.000 1.211 73 W CB -0.367 28.963 29.460 -0.216 0.000 1.131 73 W HN 0.288 nan 8.180 nan 0.000 0.552 74 L N 0.124 121.119 121.223 -0.379 0.000 2.131 74 L HA -0.166 4.188 4.340 0.024 0.000 0.210 74 L C 2.434 179.069 176.870 -0.391 0.000 1.092 74 L CA 1.336 55.819 54.840 -0.594 0.000 0.759 74 L CB -0.641 41.100 42.059 -0.530 0.000 0.903 74 L HN -0.013 nan 8.230 nan 0.000 0.435 75 E N -1.201 118.854 120.200 -0.243 0.000 2.290 75 E HA 0.098 4.462 4.350 0.024 0.000 0.197 75 E C 0.330 176.849 176.600 -0.135 0.000 0.948 75 E CA 0.382 56.692 56.400 -0.151 0.000 0.895 75 E CB 0.819 30.468 29.700 -0.086 0.000 0.865 75 E HN 0.454 nan 8.360 nan 0.000 0.486 76 C N 0.091 119.316 119.300 -0.125 0.000 3.171 76 C HA 0.429 4.904 4.460 0.024 0.000 0.308 76 C C -0.134 174.829 174.990 -0.045 0.000 1.334 76 C CA -1.594 57.377 59.018 -0.079 0.000 1.473 76 C CB 1.083 28.804 27.740 -0.031 0.000 1.866 76 C HN 0.138 nan 8.230 nan 0.000 0.465 77 D N 0.634 121.028 120.400 -0.009 0.000 2.493 77 D HA 0.269 4.923 4.640 0.024 0.000 0.240 77 D C -0.496 175.873 176.300 0.115 0.000 1.142 77 D CA 0.368 54.406 54.000 0.064 0.000 0.872 77 D CB 0.445 41.276 40.800 0.053 0.000 1.173 77 D HN 0.444 nan 8.370 nan 0.000 0.467 78 L N 6.532 127.874 121.223 0.199 0.000 2.313 78 L HA 0.251 4.605 4.340 0.024 0.000 0.282 78 L C -1.064 175.869 176.870 0.106 0.000 1.092 78 L CA -1.512 53.422 54.840 0.157 0.000 0.831 78 L CB 1.235 43.408 42.059 0.190 0.000 1.159 78 L HN 0.515 nan 8.230 nan 0.000 0.442 79 P HA -0.185 nan 4.420 nan 0.000 0.218 79 P C 0.646 177.977 177.300 0.051 0.000 1.146 79 P CA 1.260 64.394 63.100 0.057 0.000 0.813 79 P CB 0.264 31.990 31.700 0.043 0.000 0.778 80 E N -0.235 119.992 120.200 0.046 0.000 2.482 80 E HA 0.187 4.551 4.350 0.024 0.000 0.196 80 E C 1.100 177.713 176.600 0.021 0.000 1.047 80 E CA 0.057 56.473 56.400 0.027 0.000 0.869 80 E CB -0.549 29.155 29.700 0.006 0.000 0.836 80 E HN 0.235 nan 8.360 nan 0.000 0.520 81 A N 1.352 124.195 122.820 0.038 0.000 2.406 81 A HA 0.121 4.455 4.320 0.024 0.000 0.243 81 A C -0.045 177.592 177.584 0.087 0.000 1.082 81 A CA -0.254 51.804 52.037 0.034 0.000 0.786 81 A CB 0.333 19.382 19.000 0.083 0.000 1.029 81 A HN -0.047 nan 8.150 nan 0.000 0.495 82 D N -0.155 120.325 120.400 0.134 0.000 2.385 82 D HA 0.493 5.148 4.640 0.024 0.000 0.254 82 D C -0.482 175.937 176.300 0.198 0.000 1.053 82 D CA 0.057 54.162 54.000 0.175 0.000 0.992 82 D CB 1.212 42.172 40.800 0.267 0.000 1.145 82 D HN 0.396 nan 8.370 nan 0.000 0.523 83 T N 0.525 115.180 114.554 0.169 0.000 2.744 83 T HA 0.499 4.864 4.350 0.024 0.000 0.291 83 T C 0.075 174.875 174.700 0.167 0.000 0.957 83 T CA -0.545 61.661 62.100 0.177 0.000 1.002 83 T CB 0.602 69.547 68.868 0.129 0.000 0.919 83 T HN 0.267 nan 8.240 nan 0.000 0.468 84 V N 1.376 121.421 119.914 0.217 0.000 3.130 84 V HA 0.808 4.942 4.120 0.024 0.000 0.310 84 V C -0.395 175.821 176.094 0.202 0.000 1.158 84 V CA -1.037 61.352 62.300 0.148 0.000 1.029 84 V CB 1.698 33.618 31.823 0.161 0.000 1.057 84 V HN 0.503 nan 8.190 nan 0.000 0.436 85 V N 1.963 121.966 119.914 0.149 0.000 2.649 85 V HA 0.536 4.671 4.120 0.024 0.000 0.292 85 V C 0.045 176.226 176.094 0.144 0.000 1.055 85 V CA -0.137 62.257 62.300 0.156 0.000 1.023 85 V CB 1.386 33.272 31.823 0.104 0.000 0.992 85 V HN 0.758 nan 8.190 nan 0.000 0.480 86 V N 6.692 126.609 119.914 0.004 0.000 2.604 86 V HA 0.451 4.586 4.120 0.024 0.000 0.305 86 V C -2.316 173.667 176.094 -0.185 0.000 1.043 86 V CA -1.820 60.337 62.300 -0.237 0.000 0.888 86 V CB 2.422 33.745 31.823 -0.833 0.000 0.995 86 V HN 0.759 nan 8.190 nan 0.000 0.429 87 P HA 0.410 nan 4.420 nan 0.000 0.274 87 P C -0.779 176.459 177.300 -0.103 0.000 1.231 87 P CA -0.044 62.938 63.100 -0.196 0.000 0.790 87 P CB 1.096 32.696 31.700 -0.166 0.000 0.951 88 S N 0.471 116.116 115.700 -0.090 0.000 2.615 88 S HA 0.432 4.916 4.470 0.024 0.000 0.268 88 S C -1.268 173.260 174.600 -0.121 0.000 1.146 88 S CA -1.044 57.091 58.200 -0.108 0.000 0.818 88 S CB 0.588 63.698 63.200 -0.151 0.000 1.111 88 S HN 0.321 nan 8.310 nan 0.000 0.465 89 N N 1.019 119.577 118.700 -0.237 0.000 2.424 89 N HA 0.416 5.171 4.740 0.024 0.000 0.271 89 N C 0.463 175.780 175.510 -0.322 0.000 0.985 89 N CA -0.854 52.019 53.050 -0.296 0.000 0.921 89 N CB 0.705 38.988 38.487 -0.341 0.000 1.149 89 N HN 0.859 nan 8.380 nan 0.000 0.492 90 W N 2.508 123.667 121.300 -0.235 0.000 2.468 90 W HA -0.086 4.589 4.660 0.024 0.000 0.262 90 W C 0.923 177.404 176.519 -0.064 0.000 1.241 90 W CA 0.644 57.842 57.345 -0.245 0.000 1.232 90 W CB -0.348 28.948 29.460 -0.274 0.000 1.124 90 W HN 0.506 nan 8.180 nan 0.000 0.597 91 Q N 0.614 120.361 119.800 -0.089 0.000 2.167 91 Q HA -0.100 4.254 4.340 0.024 0.000 0.202 91 Q C 2.177 178.113 176.000 -0.106 0.000 0.970 91 Q CA 1.822 57.588 55.803 -0.061 0.000 0.855 91 Q CB -0.566 28.015 28.738 -0.263 0.000 0.911 91 Q HN 0.312 nan 8.270 nan 0.000 0.438 92 M N -0.768 118.720 119.600 -0.186 0.000 2.619 92 M HA -0.033 4.461 4.480 0.024 0.000 0.251 92 M C 0.600 176.942 176.300 0.070 0.000 1.106 92 M CA 1.286 56.503 55.300 -0.139 0.000 1.086 92 M CB -0.517 31.977 32.600 -0.175 0.000 1.465 92 M HN 0.388 nan 8.290 nan 0.000 0.506 93 H N -0.716 118.384 119.070 0.051 0.000 2.586 93 H HA 0.276 4.846 4.556 0.024 0.000 0.273 93 H C 1.344 176.579 175.328 -0.156 0.000 0.997 93 H CA 0.121 56.191 56.048 0.037 0.000 1.177 93 H CB 0.506 30.407 29.762 0.231 0.000 1.471 93 H HN 0.561 nan 8.280 nan 0.000 0.538 94 G N 0.603 109.409 108.800 0.010 0.000 2.157 94 G HA2 -0.367 3.607 3.960 0.024 0.000 0.248 94 G HA3 -0.367 3.607 3.960 0.024 0.000 0.248 94 G C 0.431 175.203 174.900 -0.213 0.000 0.979 94 G CA 0.327 45.360 45.100 -0.112 0.000 0.650 94 G HN 0.474 nan 8.290 nan 0.000 0.529 95 Y N 1.623 121.942 120.300 0.031 0.000 2.274 95 Y HA 0.221 4.785 4.550 0.024 0.000 0.290 95 Y C 1.682 177.335 175.900 -0.411 0.000 1.145 95 Y CA 1.727 59.724 58.100 -0.171 0.000 1.203 95 Y CB 0.160 38.624 38.460 0.007 0.000 0.984 95 Y HN 0.674 nan 8.280 nan 0.000 0.533 96 D N -2.061 118.393 120.400 0.090 0.000 2.639 96 D HA 0.461 5.115 4.640 0.024 0.000 0.271 96 D C -1.245 175.125 176.300 0.118 0.000 1.254 96 D CA -0.788 53.257 54.000 0.074 0.000 0.810 96 D CB 0.715 41.675 40.800 0.266 0.000 1.351 96 D HN -0.041 nan 8.370 nan 0.000 0.427 97 A N 0.438 123.334 122.820 0.127 0.000 2.363 97 A HA 0.650 4.984 4.320 0.024 0.000 0.270 97 A C -2.244 175.369 177.584 0.048 0.000 1.121 97 A CA -1.047 51.054 52.037 0.107 0.000 0.800 97 A CB -0.080 19.049 19.000 0.215 0.000 1.052 97 A HN 0.531 nan 8.150 nan 0.000 0.493 98 P HA 0.428 nan 4.420 nan 0.000 0.278 98 P C -0.853 176.601 177.300 0.257 0.000 1.238 98 P CA 0.051 63.088 63.100 -0.105 0.000 0.794 98 P CB 0.822 32.187 31.700 -0.558 0.000 0.955 99 I N 2.319 123.132 120.570 0.406 0.000 2.474 99 I HA 0.272 4.457 4.170 0.024 0.000 0.294 99 I C -0.426 175.902 176.117 0.352 0.000 1.005 99 I CA -0.978 60.575 61.300 0.422 0.000 1.113 99 I CB 1.575 39.749 38.000 0.290 0.000 1.289 99 I HN 0.285 nan 8.210 nan 0.000 0.436 100 Y N 5.836 126.088 120.300 -0.079 0.000 2.491 100 Y HA 0.531 5.095 4.550 0.024 0.000 0.334 100 Y C -0.338 175.405 175.900 -0.262 0.000 0.969 100 Y CA -0.478 57.277 58.100 -0.574 0.000 1.241 100 Y CB 1.100 38.685 38.460 -1.459 0.000 1.105 100 Y HN 0.553 nan 8.280 nan 0.000 0.503 101 T N 5.073 119.074 114.554 -0.922 0.000 2.876 101 T HA 0.272 4.636 4.350 0.024 0.000 0.289 101 T C 0.078 174.275 174.700 -0.837 0.000 1.014 101 T CA -0.570 61.047 62.100 -0.805 0.000 0.986 101 T CB 1.153 69.798 68.868 -0.372 0.000 1.021 101 T HN 0.768 nan 8.240 nan 0.000 0.458 102 N N 2.795 121.060 118.700 -0.725 0.000 2.349 102 N HA 0.079 4.833 4.740 0.024 0.000 0.202 102 N C 1.572 176.794 175.510 -0.480 0.000 1.041 102 N CA 1.415 54.164 53.050 -0.502 0.000 0.970 102 N CB -0.625 37.592 38.487 -0.450 0.000 1.173 102 N HN 0.380 nan 8.380 nan 0.000 0.493 103 V N 0.510 120.077 119.914 -0.577 0.000 2.374 103 V HA 0.096 4.230 4.120 0.024 0.000 0.241 103 V C 0.396 176.173 176.094 -0.530 0.000 1.034 103 V CA 0.976 62.855 62.300 -0.702 0.000 1.037 103 V CB -0.802 30.510 31.823 -0.852 0.000 0.682 103 V HN 0.345 nan 8.190 nan 0.000 0.463 104 T N 1.093 115.404 114.554 -0.404 0.000 2.871 104 T HA 0.090 4.454 4.350 0.024 0.000 0.296 104 T C -0.305 174.255 174.700 -0.234 0.000 0.998 104 T CA 0.296 62.238 62.100 -0.264 0.000 1.162 104 T CB -0.312 68.435 68.868 -0.201 0.000 0.947 104 T HN 0.185 nan 8.240 nan 0.000 0.536 105 Y N 4.765 124.971 120.300 -0.157 0.000 2.652 105 Y HA 0.093 4.657 4.550 0.024 0.000 0.344 105 Y C -0.825 174.961 175.900 -0.191 0.000 1.254 105 Y CA -1.533 56.468 58.100 -0.164 0.000 1.480 105 Y CB 0.456 38.816 38.460 -0.167 0.000 1.345 105 Y HN 0.516 nan 8.280 nan 0.000 0.617 106 P HA 0.043 nan 4.420 nan 0.000 0.249 106 P C -0.456 176.655 177.300 -0.316 0.000 1.229 106 P CA 0.917 63.943 63.100 -0.123 0.000 0.788 106 P CB 0.042 31.746 31.700 0.008 0.000 1.072 107 I N -5.212 115.127 120.570 -0.386 0.000 2.892 107 I HA 0.515 4.699 4.170 0.024 0.000 0.306 107 I C -0.524 175.454 176.117 -0.231 0.000 1.078 107 I CA -1.157 59.867 61.300 -0.460 0.000 1.032 107 I CB 1.868 39.395 38.000 -0.787 0.000 1.229 107 I HN -0.460 nan 8.210 nan 0.000 0.435 108 T N 3.068 117.530 114.554 -0.153 0.000 2.946 108 T HA 0.143 4.508 4.350 0.024 0.000 0.311 108 T C 0.183 174.861 174.700 -0.036 0.000 1.063 108 T CA -0.173 61.889 62.100 -0.063 0.000 1.139 108 T CB 0.655 69.506 68.868 -0.027 0.000 0.994 108 T HN 0.394 nan 8.240 nan 0.000 0.547 109 V N 4.833 124.744 119.914 -0.004 0.000 2.370 109 V HA 0.246 4.381 4.120 0.024 0.000 0.257 109 V C 0.658 176.791 176.094 0.065 0.000 1.064 109 V CA -0.251 62.067 62.300 0.031 0.000 0.975 109 V CB -0.127 31.697 31.823 0.001 0.000 1.067 109 V HN 0.855 nan 8.190 nan 0.000 0.485 110 N N 5.994 124.790 118.700 0.160 0.000 2.666 110 N HA 0.250 5.004 4.740 0.024 0.000 0.253 110 N C -2.877 172.721 175.510 0.147 0.000 1.621 110 N CA -1.265 51.876 53.050 0.152 0.000 0.785 110 N CB 1.448 40.054 38.487 0.199 0.000 1.332 110 N HN 0.287 nan 8.380 nan 0.000 0.514 111 P HA 0.174 nan 4.420 nan 0.000 0.265 111 P C -2.213 174.905 177.300 -0.304 0.000 1.193 111 P CA -0.641 62.071 63.100 -0.648 0.000 0.765 111 P CB 0.672 31.805 31.700 -0.945 0.000 0.823 112 P HA 0.219 nan 4.420 nan 0.000 0.259 112 P C -0.407 176.736 177.300 -0.262 0.000 1.530 112 P CA -0.268 62.624 63.100 -0.347 0.000 1.022 112 P CB 0.024 31.507 31.700 -0.360 0.000 1.514 113 F N 1.034 121.091 119.950 0.180 0.000 2.380 113 F HA 0.329 4.871 4.527 0.024 0.000 0.325 113 F C 1.308 177.270 175.800 0.270 0.000 1.136 113 F CA -0.762 57.353 58.000 0.192 0.000 1.171 113 F CB 0.782 39.844 39.000 0.102 0.000 1.230 113 F HN -0.219 nan 8.300 nan 0.000 0.554 114 V N -0.953 119.227 119.914 0.443 0.000 3.074 114 V HA 0.697 4.831 4.120 0.024 0.000 0.314 114 V C -2.674 173.573 176.094 0.255 0.000 1.117 114 V CA -2.777 59.703 62.300 0.301 0.000 1.014 114 V CB 1.354 33.400 31.823 0.373 0.000 1.057 114 V HN 0.530 nan 8.190 nan 0.000 0.438 115 P HA 0.139 nan 4.420 nan 0.000 0.267 115 P C 0.969 178.399 177.300 0.216 0.000 1.201 115 P CA 0.636 63.813 63.100 0.129 0.000 0.775 115 P CB 0.413 32.147 31.700 0.056 0.000 0.854 116 T N -1.989 112.669 114.554 0.173 0.000 2.904 116 T HA -0.066 4.298 4.350 0.024 0.000 0.267 116 T C 0.684 175.494 174.700 0.184 0.000 1.059 116 T CA 0.709 62.922 62.100 0.187 0.000 1.137 116 T CB -0.495 68.451 68.868 0.131 0.000 0.879 116 T HN 0.406 nan 8.240 nan 0.000 0.467 117 E N 2.645 122.950 120.200 0.175 0.000 1.865 117 E HA 0.194 4.558 4.350 0.024 0.000 0.269 117 E C -0.738 176.018 176.600 0.260 0.000 1.177 117 E CA -0.344 56.167 56.400 0.185 0.000 0.932 117 E CB 0.016 29.825 29.700 0.182 0.000 1.066 117 E HN 0.226 nan 8.360 nan 0.000 0.405 118 N N 4.347 123.182 118.700 0.223 0.000 2.569 118 N HA 0.240 4.994 4.740 0.024 0.000 0.254 118 N C -2.834 172.722 175.510 0.076 0.000 1.004 118 N CA -2.490 50.731 53.050 0.285 0.000 0.904 118 N CB 1.139 39.799 38.487 0.289 0.000 1.165 118 N HN 0.039 nan 8.380 nan 0.000 0.513 119 P HA 0.046 nan 4.420 nan 0.000 0.261 119 P C -0.845 176.360 177.300 -0.158 0.000 1.183 119 P CA 0.410 63.456 63.100 -0.089 0.000 0.761 119 P CB 0.408 32.359 31.700 0.417 0.000 0.785 120 T N 2.829 117.018 114.554 -0.607 0.000 2.812 120 T HA 0.559 4.923 4.350 0.024 0.000 0.282 120 T C 0.269 174.441 174.700 -0.879 0.000 0.990 120 T CA -0.565 61.232 62.100 -0.505 0.000 0.960 120 T CB 1.531 70.154 68.868 -0.408 0.000 0.948 120 T HN 0.332 nan 8.240 nan 0.000 0.438 121 G N 0.994 109.321 108.800 -0.789 0.000 2.335 121 G HA2 0.474 4.448 3.960 0.024 0.000 0.314 121 G HA3 0.474 4.448 3.960 0.024 0.000 0.314 121 G C -0.306 174.308 174.900 -0.477 0.000 1.129 121 G CA -0.344 44.190 45.100 -0.943 0.000 0.912 121 G HN 0.860 nan 8.290 nan 0.000 0.443 122 C N 3.208 122.028 119.300 -0.801 0.000 2.223 122 C HA 0.487 4.961 4.460 0.024 0.000 0.324 122 C C -0.488 174.484 174.990 -0.030 0.000 1.196 122 C CA -0.822 57.882 59.018 -0.524 0.000 1.628 122 C CB -1.672 25.373 27.740 -1.158 0.000 2.229 122 C HN 0.639 nan 8.230 nan 0.000 0.486 123 Y N 1.931 122.535 120.300 0.507 0.000 2.457 123 Y HA 0.663 5.228 4.550 0.024 0.000 0.333 123 Y C 0.811 177.176 175.900 0.775 0.000 1.119 123 Y CA -0.088 58.416 58.100 0.672 0.000 1.143 123 Y CB 1.588 40.438 38.460 0.651 0.000 1.230 123 Y HN 0.672 nan 8.280 nan 0.000 0.469 124 S N 1.766 117.950 115.700 0.806 0.000 2.596 124 S HA 0.814 5.298 4.470 0.024 0.000 0.270 124 S C -1.996 172.639 174.600 0.057 0.000 1.155 124 S CA -0.822 57.599 58.200 0.368 0.000 0.827 124 S CB 2.231 65.522 63.200 0.152 0.000 1.130 124 S HN 0.586 nan 8.310 nan 0.000 0.467 125 L N 0.687 121.759 121.223 -0.251 0.000 2.526 125 L HA 0.693 5.048 4.340 0.024 0.000 0.263 125 L C -1.210 175.590 176.870 -0.117 0.000 0.943 125 L CA 0.132 54.685 54.840 -0.478 0.000 0.859 125 L CB 2.266 43.539 42.059 -1.310 0.000 1.313 125 L HN 0.925 nan 8.230 nan 0.000 0.406 126 T N 5.703 120.228 114.554 -0.049 0.000 2.758 126 T HA 0.748 5.113 4.350 0.024 0.000 0.285 126 T C -0.834 173.923 174.700 0.094 0.000 0.981 126 T CA -0.008 62.111 62.100 0.031 0.000 0.965 126 T CB 0.185 69.035 68.868 -0.030 0.000 0.927 126 T HN 0.459 nan 8.240 nan 0.000 0.448 127 F N 1.059 120.913 119.950 -0.160 0.000 2.662 127 F HA 0.740 5.282 4.527 0.024 0.000 0.312 127 F C -0.855 174.869 175.800 -0.126 0.000 1.113 127 F CA -1.524 56.384 58.000 -0.153 0.000 0.951 127 F CB 1.358 40.244 39.000 -0.190 0.000 1.344 127 F HN 0.336 nan 8.300 nan 0.000 0.462 128 N N 0.409 118.970 118.700 -0.231 0.000 2.487 128 N HA 0.644 5.399 4.740 0.024 0.000 0.292 128 N C -1.872 173.475 175.510 -0.271 0.000 1.108 128 N CA -0.427 52.450 53.050 -0.289 0.000 0.956 128 N CB 1.924 40.320 38.487 -0.151 0.000 1.176 128 N HN 0.644 nan 8.380 nan 0.000 0.484 129 V N 2.306 122.044 119.914 -0.292 0.000 2.531 129 V HA 0.280 4.414 4.120 0.024 0.000 0.301 129 V C -0.794 175.189 176.094 -0.185 0.000 1.034 129 V CA -0.979 61.178 62.300 -0.240 0.000 0.865 129 V CB 1.649 33.383 31.823 -0.149 0.000 0.995 129 V HN 0.711 nan 8.190 nan 0.000 0.424 130 D N 2.939 123.195 120.400 -0.240 0.000 2.382 130 D HA 0.084 4.738 4.640 0.024 0.000 0.245 130 D C 1.031 177.349 176.300 0.030 0.000 1.120 130 D CA -0.062 53.878 54.000 -0.100 0.000 0.890 130 D CB 1.856 42.606 40.800 -0.083 0.000 1.201 130 D HN 0.706 nan 8.370 nan 0.000 0.433 131 E N 1.379 121.601 120.200 0.037 0.000 2.160 131 E HA -0.201 4.163 4.350 0.024 0.000 0.195 131 E C 1.586 178.252 176.600 0.111 0.000 0.991 131 E CA 1.470 57.910 56.400 0.067 0.000 0.810 131 E CB -0.117 29.605 29.700 0.038 0.000 0.742 131 E HN 0.406 nan 8.360 nan 0.000 0.466 132 S N -1.141 114.635 115.700 0.127 0.000 2.442 132 S HA -0.152 4.332 4.470 0.024 0.000 0.236 132 S C 1.640 176.301 174.600 0.102 0.000 1.007 132 S CA 0.897 59.164 58.200 0.112 0.000 0.965 132 S CB -0.759 62.505 63.200 0.106 0.000 0.773 132 S HN 0.404 nan 8.310 nan 0.000 0.504 133 W N 1.304 122.531 121.300 -0.122 0.000 2.770 133 W HA 0.440 5.115 4.660 0.024 0.000 0.256 133 W C 1.819 178.421 176.519 0.138 0.000 1.291 133 W CA -0.215 57.039 57.345 -0.153 0.000 1.396 133 W CB -0.265 29.178 29.460 -0.028 0.000 1.114 133 W HN 0.301 nan 8.180 nan 0.000 0.637 134 L N -0.321 121.076 121.223 0.290 0.000 2.470 134 L HA 0.006 4.361 4.340 0.024 0.000 0.219 134 L C 2.562 179.521 176.870 0.149 0.000 1.071 134 L CA 0.494 55.464 54.840 0.216 0.000 0.850 134 L CB -0.736 41.417 42.059 0.156 0.000 1.040 134 L HN -0.020 nan 8.230 nan 0.000 0.475 135 Q N 2.106 121.978 119.800 0.120 0.000 2.291 135 Q HA -0.117 4.237 4.340 0.024 0.000 0.206 135 Q C 0.178 176.228 176.000 0.083 0.000 0.976 135 Q CA 0.991 56.843 55.803 0.082 0.000 0.875 135 Q CB -0.056 28.718 28.738 0.060 0.000 0.927 135 Q HN 0.673 nan 8.270 nan 0.000 0.450 136 E N -1.689 118.582 120.200 0.117 0.000 2.423 136 E HA 0.562 4.926 4.350 0.024 0.000 0.280 136 E C -0.242 176.471 176.600 0.188 0.000 1.030 136 E CA -0.830 55.636 56.400 0.110 0.000 0.812 136 E CB 1.270 31.017 29.700 0.079 0.000 1.313 136 E HN 0.179 nan 8.360 nan 0.000 0.456 137 G N 0.638 109.485 108.800 0.078 0.000 2.750 137 G HA2 -0.255 3.719 3.960 0.024 0.000 0.228 137 G HA3 -0.255 3.719 3.960 0.024 0.000 0.228 137 G C -0.833 173.981 174.900 -0.143 0.000 1.367 137 G CA 0.069 45.120 45.100 -0.081 0.000 0.871 137 G HN 0.758 nan 8.290 nan 0.000 0.560 138 Q N -0.521 119.036 119.800 -0.404 0.000 2.340 138 Q HA 0.636 4.990 4.340 0.024 0.000 0.268 138 Q C -0.913 174.928 176.000 -0.264 0.000 1.031 138 Q CA -0.487 55.183 55.803 -0.222 0.000 0.804 138 Q CB 1.498 30.135 28.738 -0.169 0.000 1.286 138 Q HN 0.618 nan 8.270 nan 0.000 0.448 139 T N 4.986 119.563 114.554 0.039 0.000 2.770 139 T HA 0.473 4.837 4.350 0.024 0.000 0.283 139 T C -0.616 174.204 174.700 0.200 0.000 0.988 139 T CA -0.636 61.597 62.100 0.222 0.000 0.957 139 T CB 0.533 69.686 68.868 0.475 0.000 0.930 139 T HN 0.634 nan 8.240 nan 0.000 0.443 140 R N 2.829 123.435 120.500 0.176 0.000 2.832 140 R HA 0.791 5.145 4.340 0.024 0.000 0.271 140 R C -1.075 175.323 176.300 0.162 0.000 0.996 140 R CA -0.999 55.199 56.100 0.162 0.000 0.977 140 R CB 1.520 31.886 30.300 0.110 0.000 1.168 140 R HN 0.559 nan 8.270 nan 0.000 0.482 141 I N 2.131 122.794 120.570 0.154 0.000 2.460 141 I HA 0.456 4.640 4.170 0.024 0.000 0.298 141 I C -1.083 175.064 176.117 0.051 0.000 0.989 141 I CA -1.264 60.067 61.300 0.053 0.000 1.173 141 I CB 1.394 39.416 38.000 0.037 0.000 1.338 141 I HN 0.605 nan 8.210 nan 0.000 0.456 142 I N 7.164 127.667 120.570 -0.112 0.000 2.447 142 I HA 0.298 4.482 4.170 0.024 0.000 0.287 142 I C -1.333 174.631 176.117 -0.256 0.000 1.023 142 I CA -0.416 60.839 61.300 -0.074 0.000 1.083 142 I CB 1.576 39.545 38.000 -0.051 0.000 1.245 142 I HN 0.394 nan 8.210 nan 0.000 0.434 143 F N 4.384 124.317 119.950 -0.029 0.000 2.332 143 F HA 0.279 4.820 4.527 0.024 0.000 0.368 143 F C 1.253 176.941 175.800 -0.188 0.000 1.110 143 F CA -0.488 57.425 58.000 -0.146 0.000 1.087 143 F CB 0.771 39.632 39.000 -0.231 0.000 1.235 143 F HN 0.445 nan 8.300 nan 0.000 0.470 144 D N 2.328 122.645 120.400 -0.139 0.000 2.310 144 D HA 0.052 4.706 4.640 0.024 0.000 0.212 144 D C 1.005 177.132 176.300 -0.288 0.000 0.965 144 D CA 0.816 54.688 54.000 -0.214 0.000 0.879 144 D CB 0.418 41.028 40.800 -0.317 0.000 0.921 144 D HN 0.619 nan 8.370 nan 0.000 0.510 145 G N -0.264 108.308 108.800 -0.380 0.000 2.413 145 G HA2 0.438 4.413 3.960 0.024 0.000 0.285 145 G HA3 0.438 4.413 3.960 0.024 0.000 0.285 145 G C -1.376 173.271 174.900 -0.422 0.000 1.337 145 G CA -0.394 44.350 45.100 -0.594 0.000 1.324 145 G HN -0.061 nan 8.290 nan 0.000 0.611 146 V N 2.573 122.444 119.914 -0.071 0.000 2.525 146 V HA 0.506 4.640 4.120 0.024 0.000 0.299 146 V C -0.792 175.398 176.094 0.160 0.000 1.034 146 V CA -1.189 61.084 62.300 -0.046 0.000 0.863 146 V CB 1.876 33.432 31.823 -0.444 0.000 0.999 146 V HN 0.671 nan 8.190 nan 0.000 0.423 147 N N 2.623 121.408 118.700 0.142 0.000 2.476 147 N HA 0.324 5.078 4.740 0.024 0.000 0.257 147 N C 0.587 176.041 175.510 -0.092 0.000 0.970 147 N CA 0.159 53.201 53.050 -0.013 0.000 0.938 147 N CB 2.093 40.418 38.487 -0.271 0.000 1.144 147 N HN 0.699 nan 8.380 nan 0.000 0.500 148 S N 1.786 117.471 115.700 -0.026 0.000 2.559 148 S HA 0.591 5.076 4.470 0.024 0.000 0.226 148 S C 0.297 174.965 174.600 0.113 0.000 1.030 148 S CA 0.012 58.241 58.200 0.048 0.000 0.956 148 S CB 0.390 63.626 63.200 0.060 0.000 0.900 148 S HN 0.621 nan 8.310 nan 0.000 0.510 149 A N 0.885 123.786 122.820 0.134 0.000 2.612 149 A HA 0.777 5.112 4.320 0.024 0.000 0.293 149 A C -1.381 176.298 177.584 0.158 0.000 1.075 149 A CA -0.966 51.108 52.037 0.061 0.000 0.680 149 A CB 0.842 19.898 19.000 0.094 0.000 1.279 149 A HN 1.117 nan 8.150 nan 0.000 0.411 150 F N -0.637 119.129 119.950 -0.307 0.000 2.703 150 F HA 0.726 5.267 4.527 0.024 0.000 0.308 150 F C -1.170 174.504 175.800 -0.210 0.000 1.126 150 F CA -0.775 57.132 58.000 -0.155 0.000 0.959 150 F CB 1.117 40.022 39.000 -0.159 0.000 1.297 150 F HN 0.630 nan 8.300 nan 0.000 0.441 151 H N 2.089 121.288 119.070 0.214 0.000 2.472 151 H HA 0.688 5.259 4.556 0.024 0.000 0.338 151 H C -1.449 173.836 175.328 -0.072 0.000 1.133 151 H CA -0.734 55.317 56.048 0.005 0.000 1.216 151 H CB 2.527 32.272 29.762 -0.027 0.000 1.497 151 H HN 0.735 nan 8.280 nan 0.000 0.500 152 L N 3.462 124.444 121.223 -0.401 0.000 2.385 152 L HA 0.376 4.730 4.340 0.024 0.000 0.273 152 L C -1.502 175.038 176.870 -0.549 0.000 0.990 152 L CA -0.508 54.150 54.840 -0.304 0.000 0.821 152 L CB 1.204 42.959 42.059 -0.507 0.000 1.279 152 L HN 0.530 nan 8.230 nan 0.000 0.412 153 W N 4.242 125.501 121.300 -0.067 0.000 2.781 153 W HA 0.616 5.290 4.660 0.025 0.000 0.345 153 W C -1.067 175.387 176.519 -0.108 0.000 1.085 153 W CA -0.813 56.480 57.345 -0.087 0.000 1.198 153 W CB 2.072 31.528 29.460 -0.006 0.000 1.423 153 W HN 0.553 nan 8.180 nan 0.000 0.532 154 C N 4.298 123.676 119.300 0.130 0.000 2.432 154 C HA 0.280 4.755 4.460 0.024 0.000 0.334 154 C C 0.147 175.260 174.990 0.204 0.000 1.155 154 C CA -0.381 58.711 59.018 0.123 0.000 1.335 154 C CB -0.741 27.011 27.740 0.019 0.000 1.964 154 C HN 0.812 nan 8.230 nan 0.000 0.444 155 N N 3.493 122.272 118.700 0.133 0.000 2.735 155 N HA -0.182 4.573 4.740 0.024 0.000 0.248 155 N C 0.961 176.537 175.510 0.111 0.000 1.083 155 N CA 2.120 55.227 53.050 0.096 0.000 0.703 155 N CB -1.354 37.198 38.487 0.107 0.000 1.005 155 N HN 1.886 nan 8.380 nan 0.000 0.550 156 G N -1.121 107.738 108.800 0.098 0.000 2.212 156 G HA2 -0.381 3.593 3.960 0.024 0.000 0.266 156 G HA3 -0.381 3.593 3.960 0.024 0.000 0.266 156 G C 0.174 175.241 174.900 0.278 0.000 0.978 156 G CA 0.695 45.851 45.100 0.092 0.000 0.632 156 G HN 0.549 nan 8.290 nan 0.000 0.537 157 R N -0.808 119.916 120.500 0.373 0.000 2.312 157 R HA 0.409 4.763 4.340 0.024 0.000 0.311 157 R C -0.038 176.579 176.300 0.529 0.000 1.004 157 R CA -0.812 55.581 56.100 0.487 0.000 0.902 157 R CB 0.844 31.471 30.300 0.544 0.000 1.073 157 R HN 0.275 nan 8.270 nan 0.000 0.457 158 W N 3.791 125.256 121.300 0.276 0.000 2.216 158 W HA 0.080 4.754 4.660 0.024 0.000 0.326 158 W C 0.090 176.488 176.519 -0.202 0.000 1.319 158 W CA -0.072 57.143 57.345 -0.216 0.000 1.213 158 W CB 0.706 29.986 29.460 -0.300 0.000 1.171 158 W HN 0.319 nan 8.180 nan 0.000 0.557 159 V N 5.104 124.274 119.914 -1.239 0.000 2.627 159 V HA 0.527 4.661 4.120 0.024 0.000 0.239 159 V C 1.059 176.108 176.094 -1.742 0.000 1.077 159 V CA 1.029 62.539 62.300 -1.316 0.000 1.103 159 V CB -0.492 30.621 31.823 -1.183 0.000 0.802 159 V HN 0.857 nan 8.190 nan 0.000 0.482 160 G N -1.769 105.725 108.800 -2.177 0.000 2.341 160 G HA2 0.459 4.433 3.960 0.024 0.000 0.299 160 G HA3 0.459 4.433 3.960 0.024 0.000 0.299 160 G C -2.411 171.984 174.900 -0.841 0.000 1.274 160 G CA -0.223 43.991 45.100 -1.477 0.000 0.853 160 G HN 0.043 nan 8.290 nan 0.000 0.493 161 Y N -0.509 119.495 120.300 -0.493 0.000 2.588 161 Y HA 0.726 5.290 4.550 0.024 0.000 0.343 161 Y C -0.076 175.575 175.900 -0.415 0.000 1.065 161 Y CA -0.077 57.692 58.100 -0.551 0.000 1.038 161 Y CB 2.242 40.542 38.460 -0.266 0.000 1.297 161 Y HN 1.265 nan 8.280 nan 0.000 0.467 162 G N 3.385 111.278 108.800 -1.513 0.000 2.718 162 G HA2 0.581 4.555 3.960 0.024 0.000 0.295 162 G HA3 0.581 4.555 3.960 0.024 0.000 0.295 162 G C -2.127 172.264 174.900 -0.848 0.000 1.421 162 G CA -0.878 43.672 45.100 -0.916 0.000 0.902 162 G HN 0.637 nan 8.290 nan 0.000 0.501 163 Q N -0.315 119.268 119.800 -0.363 0.000 2.633 163 Q HA 0.607 4.961 4.340 0.024 0.000 0.292 163 Q C -1.361 174.636 176.000 -0.005 0.000 1.089 163 Q CA -0.861 54.863 55.803 -0.132 0.000 0.811 163 Q CB 2.567 31.288 28.738 -0.027 0.000 1.472 163 Q HN 0.634 nan 8.270 nan 0.000 0.464 164 D N -0.238 120.199 120.400 0.062 0.000 4.303 164 D HA -0.095 4.559 4.640 0.024 0.000 0.230 164 D C -0.609 175.757 176.300 0.109 0.000 1.172 164 D CA 0.396 54.449 54.000 0.087 0.000 1.001 164 D CB -0.633 40.202 40.800 0.058 0.000 0.641 164 D HN 0.522 nan 8.370 nan 0.000 0.296 165 S N 3.271 119.052 115.700 0.133 0.000 2.603 165 S HA -0.019 4.465 4.470 0.024 0.000 0.229 165 S C 1.566 176.295 174.600 0.215 0.000 0.972 165 S CA 0.377 58.686 58.200 0.182 0.000 0.935 165 S CB 0.276 63.559 63.200 0.139 0.000 0.769 165 S HN 0.444 nan 8.310 nan 0.000 0.536 166 R N 0.159 120.747 120.500 0.147 0.000 2.472 166 R HA 0.426 4.780 4.340 0.024 0.000 0.279 166 R C -0.221 176.132 176.300 0.088 0.000 0.953 166 R CA 0.076 56.258 56.100 0.137 0.000 1.088 166 R CB 0.206 30.611 30.300 0.174 0.000 1.197 166 R HN 0.326 nan 8.270 nan 0.000 0.536 167 L N 1.509 122.759 121.223 0.044 0.000 2.350 167 L HA 0.506 4.861 4.340 0.024 0.000 0.260 167 L C -2.394 174.452 176.870 -0.040 0.000 1.015 167 L CA -2.320 52.516 54.840 -0.006 0.000 0.821 167 L CB 2.971 45.022 42.059 -0.013 0.000 1.370 167 L HN -0.203 nan 8.230 nan 0.000 0.416 168 P HA 0.120 nan 4.420 nan 0.000 0.275 168 P C -1.055 176.208 177.300 -0.062 0.000 1.227 168 P CA -0.232 62.820 63.100 -0.080 0.000 0.781 168 P CB 1.188 32.804 31.700 -0.141 0.000 0.906 169 S N 1.879 117.602 115.700 0.037 0.000 2.449 169 S HA 0.338 4.822 4.470 0.024 0.000 0.310 169 S C -0.383 174.183 174.600 -0.057 0.000 1.096 169 S CA -0.585 57.603 58.200 -0.021 0.000 1.095 169 S CB 0.950 64.289 63.200 0.232 0.000 1.007 169 S HN 0.381 nan 8.310 nan 0.000 0.474 170 E N 1.772 121.734 120.200 -0.396 0.000 2.238 170 E HA 0.591 4.956 4.350 0.024 0.000 0.267 170 E C -1.472 174.709 176.600 -0.698 0.000 0.887 170 E CA -0.586 55.647 56.400 -0.279 0.000 0.769 170 E CB 1.777 31.410 29.700 -0.112 0.000 1.187 170 E HN 0.425 nan 8.360 nan 0.000 0.416 171 F N 0.586 120.591 119.950 0.091 0.000 2.578 171 F HA 0.187 4.729 4.527 0.025 0.000 0.311 171 F C -0.113 175.716 175.800 0.048 0.000 1.094 171 F CA -1.092 56.927 58.000 0.032 0.000 0.923 171 F CB 1.655 40.641 39.000 -0.024 0.000 1.230 171 F HN 0.273 nan 8.300 nan 0.000 0.450 172 D N 3.015 123.549 120.400 0.223 0.000 2.317 172 D HA 0.242 4.896 4.640 0.024 0.000 0.252 172 D C 0.212 176.666 176.300 0.257 0.000 1.174 172 D CA 0.265 54.381 54.000 0.194 0.000 0.866 172 D CB 1.066 41.959 40.800 0.155 0.000 1.127 172 D HN 0.589 nan 8.370 nan 0.000 0.467 173 L N 2.823 124.204 121.223 0.264 0.000 2.728 173 L HA 0.049 4.404 4.340 0.024 0.000 0.238 173 L C 2.089 179.200 176.870 0.402 0.000 1.143 173 L CA -0.203 54.849 54.840 0.353 0.000 0.937 173 L CB 0.113 42.328 42.059 0.260 0.000 1.225 173 L HN 0.274 nan 8.230 nan 0.000 0.507 174 S N 1.461 117.334 115.700 0.289 0.000 2.372 174 S HA -0.280 4.204 4.470 0.024 0.000 0.227 174 S C 2.052 176.751 174.600 0.166 0.000 1.044 174 S CA 1.901 60.227 58.200 0.210 0.000 1.050 174 S CB -0.144 63.138 63.200 0.137 0.000 0.901 174 S HN 0.566 nan 8.310 nan 0.000 0.447 175 A N -0.541 122.351 122.820 0.120 0.000 2.208 175 A HA 0.299 4.633 4.320 0.024 0.000 0.209 175 A C 1.317 178.767 177.584 -0.224 0.000 1.161 175 A CA 0.411 52.396 52.037 -0.086 0.000 0.782 175 A CB -0.421 18.447 19.000 -0.220 0.000 0.816 175 A HN 0.486 nan 8.150 nan 0.000 0.477 176 F N -0.776 119.220 119.950 0.076 0.000 2.717 176 F HA 0.372 4.914 4.527 0.024 0.000 0.297 176 F C 0.665 176.506 175.800 0.069 0.000 1.113 176 F CA -0.144 57.900 58.000 0.074 0.000 1.319 176 F CB 0.075 39.126 39.000 0.085 0.000 1.097 176 F HN -0.030 nan 8.300 nan 0.000 0.595 177 L N 1.095 122.466 121.223 0.247 0.000 2.416 177 L HA 0.511 4.865 4.340 0.024 0.000 0.262 177 L C 0.283 177.197 176.870 0.074 0.000 1.093 177 L CA -0.811 54.120 54.840 0.153 0.000 0.801 177 L CB 1.064 43.225 42.059 0.170 0.000 1.191 177 L HN -0.023 nan 8.230 nan 0.000 0.459 178 R N 1.379 121.886 120.500 0.012 0.000 2.771 178 R HA 0.712 5.066 4.340 0.024 0.000 0.274 178 R C -1.181 175.095 176.300 -0.039 0.000 0.987 178 R CA -0.711 55.385 56.100 -0.006 0.000 0.908 178 R CB 1.713 32.000 30.300 -0.022 0.000 1.213 178 R HN 0.616 nan 8.270 nan 0.000 0.468 179 A N 1.506 124.313 122.820 -0.023 0.000 2.540 179 A HA 0.453 4.787 4.320 0.024 0.000 0.239 179 A C 1.040 178.576 177.584 -0.080 0.000 1.061 179 A CA 1.288 53.300 52.037 -0.041 0.000 0.758 179 A CB -0.666 18.323 19.000 -0.017 0.000 0.991 179 A HN 1.490 nan 8.150 nan 0.000 0.502 180 G N 1.398 110.130 108.800 -0.113 0.000 2.475 180 G HA2 -0.097 3.877 3.960 0.024 0.000 0.223 180 G HA3 -0.097 3.877 3.960 0.024 0.000 0.223 180 G C -0.409 174.359 174.900 -0.221 0.000 1.201 180 G CA -0.081 44.937 45.100 -0.137 0.000 0.962 180 G HN 0.912 nan 8.290 nan 0.000 0.586 181 E N 2.105 122.185 120.200 -0.199 0.000 2.316 181 E HA 0.413 4.777 4.350 0.024 0.000 0.275 181 E C 0.176 176.584 176.600 -0.321 0.000 1.029 181 E CA -0.034 56.210 56.400 -0.261 0.000 0.871 181 E CB 0.720 30.318 29.700 -0.170 0.000 1.022 181 E HN 0.479 nan 8.360 nan 0.000 0.418 182 N N 1.984 120.366 118.700 -0.531 0.000 2.357 182 N HA 0.371 5.125 4.740 0.024 0.000 0.284 182 N C -0.769 174.546 175.510 -0.325 0.000 1.236 182 N CA -0.663 52.096 53.050 -0.486 0.000 0.774 182 N CB 2.788 40.827 38.487 -0.747 0.000 1.534 182 N HN 0.207 nan 8.380 nan 0.000 0.478 183 R N 1.413 121.871 120.500 -0.071 0.000 2.561 183 R HA 0.516 4.871 4.340 0.024 0.000 0.297 183 R C -1.273 175.112 176.300 0.143 0.000 0.969 183 R CA -0.485 55.643 56.100 0.048 0.000 0.879 183 R CB 1.121 31.395 30.300 -0.045 0.000 1.178 183 R HN 0.488 nan 8.270 nan 0.000 0.445 184 L N 2.996 124.320 121.223 0.170 0.000 2.322 184 L HA 0.712 5.066 4.340 0.024 0.000 0.279 184 L C -0.389 176.510 176.870 0.049 0.000 1.036 184 L CA -0.843 54.074 54.840 0.129 0.000 0.807 184 L CB 1.978 44.074 42.059 0.061 0.000 1.226 184 L HN 0.752 nan 8.230 nan 0.000 0.433 185 A N 3.342 126.206 122.820 0.074 0.000 2.335 185 A HA 0.755 5.090 4.320 0.024 0.000 0.304 185 A C -1.065 176.784 177.584 0.442 0.000 1.118 185 A CA -0.457 51.541 52.037 -0.064 0.000 0.757 185 A CB 1.496 19.936 19.000 -0.933 0.000 1.188 185 A HN 0.373 nan 8.150 nan 0.000 0.460 186 V N 3.344 123.685 119.914 0.713 0.000 2.407 186 V HA 0.468 4.602 4.120 0.024 0.000 0.291 186 V C -0.103 176.503 176.094 0.853 0.000 1.018 186 V CA -0.298 62.420 62.300 0.695 0.000 0.842 186 V CB 1.452 33.501 31.823 0.376 0.000 0.996 186 V HN 0.968 nan 8.190 nan 0.000 0.426 187 M N 6.015 126.135 119.600 0.865 0.000 2.061 187 M HA 0.565 5.059 4.480 0.024 0.000 0.346 187 M C -1.413 175.141 176.300 0.423 0.000 1.112 187 M CA -0.373 55.263 55.300 0.560 0.000 1.021 187 M CB 1.129 34.094 32.600 0.608 0.000 1.530 187 M HN 0.477 nan 8.290 nan 0.000 0.437 188 V N 6.893 127.015 119.914 0.347 0.000 2.370 188 V HA 0.359 4.493 4.120 0.024 0.000 0.279 188 V C -0.088 176.164 176.094 0.265 0.000 1.029 188 V CA -0.646 61.868 62.300 0.357 0.000 0.870 188 V CB 1.306 33.449 31.823 0.533 0.000 0.984 188 V HN 0.801 nan 8.190 nan 0.000 0.451 189 L N 5.172 126.489 121.223 0.158 0.000 2.276 189 L HA 0.482 4.836 4.340 0.024 0.000 0.286 189 L C 1.610 178.509 176.870 0.048 0.000 1.061 189 L CA -0.277 54.580 54.840 0.029 0.000 0.807 189 L CB 0.972 42.946 42.059 -0.142 0.000 1.177 189 L HN 0.639 nan 8.230 nan 0.000 0.429 190 R N 3.005 123.495 120.500 -0.017 0.000 2.081 190 R HA -0.077 4.278 4.340 0.024 0.000 0.235 190 R C -0.385 175.595 176.300 -0.534 0.000 1.131 190 R CA 1.412 57.261 56.100 -0.418 0.000 0.960 190 R CB 0.219 30.099 30.300 -0.700 0.000 0.856 190 R HN 0.560 nan 8.270 nan 0.000 0.436 191 W N -0.157 121.211 121.300 0.114 0.000 2.689 191 W HA 0.433 5.107 4.660 0.023 0.000 0.340 191 W C -0.391 176.242 176.519 0.190 0.000 1.060 191 W CA -0.751 56.667 57.345 0.121 0.000 1.218 191 W CB 1.785 31.316 29.460 0.119 0.000 1.410 191 W HN -0.007 nan 8.180 nan 0.000 0.528 192 S N -1.165 114.825 115.700 0.484 0.000 2.636 192 S HA 0.186 4.670 4.470 0.024 0.000 0.268 192 S C 0.050 174.908 174.600 0.431 0.000 1.159 192 S CA -0.440 58.053 58.200 0.489 0.000 0.815 192 S CB 1.088 64.551 63.200 0.440 0.000 1.130 192 S HN 0.634 nan 8.310 nan 0.000 0.471 193 D N 0.480 121.138 120.400 0.430 0.000 2.265 193 D HA 0.047 4.702 4.640 0.024 0.000 0.208 193 D C 1.758 178.385 176.300 0.546 0.000 0.977 193 D CA 1.302 55.609 54.000 0.511 0.000 0.871 193 D CB -0.695 40.280 40.800 0.291 0.000 0.925 193 D HN 0.720 nan 8.370 nan 0.000 0.485 194 G N 0.094 109.126 108.800 0.388 0.000 2.448 194 G HA2 -0.263 3.712 3.960 0.024 0.000 0.219 194 G HA3 -0.263 3.712 3.960 0.024 0.000 0.219 194 G C 1.716 176.805 174.900 0.315 0.000 1.127 194 G CA 0.706 46.005 45.100 0.331 0.000 0.766 194 G HN 0.322 nan 8.290 nan 0.000 0.552 195 S N -0.101 115.771 115.700 0.288 0.000 2.419 195 S HA -0.092 4.392 4.470 0.024 0.000 0.233 195 S C 1.870 176.577 174.600 0.179 0.000 1.016 195 S CA 0.673 59.015 58.200 0.237 0.000 0.974 195 S CB -0.384 62.975 63.200 0.266 0.000 0.786 195 S HN 0.549 nan 8.310 nan 0.000 0.492 196 Y N 1.026 121.455 120.300 0.215 0.000 2.497 196 Y HA 0.114 4.679 4.550 0.024 0.000 0.292 196 Y C 1.500 177.514 175.900 0.189 0.000 1.137 196 Y CA 0.603 58.757 58.100 0.090 0.000 1.285 196 Y CB -0.159 38.185 38.460 -0.195 0.000 0.991 196 Y HN 0.198 nan 8.280 nan 0.000 0.556 197 L N -0.356 121.067 121.223 0.333 0.000 2.769 197 L HA 0.155 4.509 4.340 0.024 0.000 0.240 197 L C 0.073 177.090 176.870 0.244 0.000 1.163 197 L CA 0.342 55.336 54.840 0.257 0.000 0.962 197 L CB 0.143 42.357 42.059 0.259 0.000 1.258 197 L HN 0.121 nan 8.230 nan 0.000 0.513 198 E N -0.071 120.286 120.200 0.261 0.000 3.388 198 E HA 0.037 4.401 4.350 0.024 0.000 0.214 198 E C -0.411 176.305 176.600 0.192 0.000 1.040 198 E CA -0.075 56.463 56.400 0.229 0.000 1.327 198 E CB 0.476 30.301 29.700 0.208 0.000 1.243 198 E HN 0.047 nan 8.360 nan 0.000 0.444 199 D N 1.137 121.611 120.400 0.123 0.000 2.538 199 D HA 0.024 4.678 4.640 0.024 0.000 0.234 199 D C -0.188 176.112 176.300 0.001 0.000 1.191 199 D CA -0.076 53.891 54.000 -0.056 0.000 0.828 199 D CB 0.133 40.657 40.800 -0.459 0.000 0.981 199 D HN 0.061 nan 8.370 nan 0.000 0.490 200 Q N 0.385 120.276 119.800 0.152 0.000 2.421 200 Q HA 0.111 4.466 4.340 0.024 0.000 0.255 200 Q C -0.088 176.024 176.000 0.187 0.000 1.013 200 Q CA 0.035 55.986 55.803 0.246 0.000 0.895 200 Q CB 0.580 29.615 28.738 0.494 0.000 1.271 200 Q HN 0.059 nan 8.270 nan 0.000 0.460 201 D N 2.958 123.484 120.400 0.210 0.000 2.429 201 D HA 0.148 4.803 4.640 0.024 0.000 0.253 201 D C -0.781 175.652 176.300 0.220 0.000 1.294 201 D CA 0.230 54.329 54.000 0.165 0.000 1.063 201 D CB -0.444 40.423 40.800 0.113 0.000 1.096 201 D HN 0.478 nan 8.370 nan 0.000 0.516 202 M N 0.375 120.082 119.600 0.177 0.000 3.012 202 M HA 0.351 4.845 4.480 0.024 0.000 0.272 202 M C -1.313 175.072 176.300 0.141 0.000 1.187 202 M CA -1.179 54.154 55.300 0.055 0.000 0.813 202 M CB 0.888 33.457 32.600 -0.052 0.000 1.626 202 M HN -0.090 nan 8.290 nan 0.000 0.507 203 W N 1.999 123.373 121.300 0.125 0.000 2.257 203 W HA 0.287 4.962 4.660 0.024 0.000 0.337 203 W C 0.251 176.785 176.519 0.024 0.000 1.321 203 W CA 0.081 57.489 57.345 0.106 0.000 1.267 203 W CB 0.295 29.753 29.460 -0.003 0.000 1.187 203 W HN 0.285 nan 8.180 nan 0.000 0.565 204 R N 4.621 125.294 120.500 0.289 0.000 2.215 204 R HA 0.470 4.824 4.340 0.024 0.000 0.336 204 R C -0.120 176.183 176.300 0.004 0.000 0.996 204 R CA -0.408 55.770 56.100 0.132 0.000 0.847 204 R CB 0.529 30.968 30.300 0.230 0.000 1.127 204 R HN 0.547 nan 8.270 nan 0.000 0.465 205 M N 0.275 119.763 119.600 -0.186 0.000 2.788 205 M HA 0.525 5.019 4.480 0.024 0.000 0.291 205 M C -0.078 175.863 176.300 -0.598 0.000 1.213 205 M CA -0.802 54.267 55.300 -0.386 0.000 0.768 205 M CB 2.440 34.814 32.600 -0.377 0.000 1.766 205 M HN 0.663 nan 8.290 nan 0.000 0.460 206 S N -1.093 114.105 115.700 -0.837 0.000 2.656 206 S HA 0.990 5.474 4.470 0.024 0.000 0.273 206 S C -0.573 173.492 174.600 -0.892 0.000 1.168 206 S CA -0.201 57.426 58.200 -0.954 0.000 0.817 206 S CB 2.015 64.459 63.200 -1.259 0.000 1.146 206 S HN 1.374 nan 8.310 nan 0.000 0.475 207 G N -0.213 108.315 108.800 -0.453 0.000 2.343 207 G HA2 0.195 4.170 3.960 0.024 0.000 0.465 207 G HA3 0.195 4.170 3.960 0.024 0.000 0.465 207 G C -1.524 173.397 174.900 0.035 0.000 1.282 207 G CA -0.718 44.413 45.100 0.052 0.000 0.996 207 G HN 1.031 nan 8.290 nan 0.000 0.521 208 I N 2.085 122.531 120.570 -0.206 0.000 2.241 208 I HA 0.271 4.455 4.170 0.024 0.000 0.294 208 I C 1.118 177.098 176.117 -0.228 0.000 1.145 208 I CA -0.226 60.831 61.300 -0.404 0.000 1.261 208 I CB -0.168 37.296 38.000 -0.893 0.000 1.475 208 I HN 0.517 nan 8.210 nan 0.000 0.533 209 F N 4.253 124.048 119.950 -0.259 0.000 2.695 209 F HA 0.461 5.002 4.527 0.024 0.000 0.303 209 F C 0.703 176.419 175.800 -0.141 0.000 1.091 209 F CA -0.532 57.350 58.000 -0.197 0.000 1.300 209 F CB 0.147 39.035 39.000 -0.185 0.000 1.071 209 F HN 0.125 nan 8.300 nan 0.000 0.578 210 R N 0.678 120.758 120.500 -0.700 0.000 2.912 210 R HA 0.233 4.588 4.340 0.024 0.000 0.262 210 R C -0.763 175.321 176.300 -0.360 0.000 1.057 210 R CA -1.157 54.617 56.100 -0.544 0.000 0.981 210 R CB 0.908 30.766 30.300 -0.736 0.000 1.201 210 R HN -0.019 nan 8.270 nan 0.000 0.484 211 D N 0.760 120.997 120.400 -0.272 0.000 2.443 211 D HA 0.063 4.717 4.640 0.024 0.000 0.234 211 D C -0.468 175.685 176.300 -0.245 0.000 1.172 211 D CA 0.483 54.360 54.000 -0.206 0.000 0.878 211 D CB 0.623 41.342 40.800 -0.135 0.000 1.204 211 D HN -0.013 nan 8.370 nan 0.000 0.453 212 V N 1.125 120.902 119.914 -0.227 0.000 2.487 212 V HA 0.548 4.683 4.120 0.024 0.000 0.298 212 V C 0.121 176.085 176.094 -0.218 0.000 1.028 212 V CA -0.543 61.564 62.300 -0.323 0.000 0.860 212 V CB 1.567 33.198 31.823 -0.320 0.000 0.991 212 V HN 0.739 nan 8.190 nan 0.000 0.427 213 S N 5.272 120.823 115.700 -0.248 0.000 2.618 213 S HA 0.849 5.334 4.470 0.024 0.000 0.277 213 S C -1.372 173.169 174.600 -0.098 0.000 1.138 213 S CA -0.867 57.258 58.200 -0.124 0.000 0.844 213 S CB 1.913 65.077 63.200 -0.059 0.000 1.127 213 S HN 0.464 nan 8.310 nan 0.000 0.474 214 L N 1.695 122.926 121.223 0.013 0.000 2.341 214 L HA 0.701 5.055 4.340 0.024 0.000 0.278 214 L C -1.302 175.771 176.870 0.338 0.000 1.005 214 L CA -0.848 54.084 54.840 0.152 0.000 0.818 214 L CB 1.724 43.872 42.059 0.148 0.000 1.259 214 L HN 0.698 nan 8.230 nan 0.000 0.418 215 L N 3.141 124.546 121.223 0.304 0.000 2.356 215 L HA 0.471 4.825 4.340 0.024 0.000 0.277 215 L C -0.731 176.185 176.870 0.077 0.000 0.996 215 L CA -0.119 54.835 54.840 0.191 0.000 0.822 215 L CB 1.465 43.583 42.059 0.098 0.000 1.256 215 L HN 0.494 nan 8.230 nan 0.000 0.413 216 H N 5.470 124.323 119.070 -0.362 0.000 2.519 216 H HA 0.471 5.041 4.556 0.024 0.000 0.316 216 H C -1.215 173.892 175.328 -0.368 0.000 1.065 216 H CA -0.524 55.164 56.048 -0.599 0.000 1.264 216 H CB 1.030 29.883 29.762 -1.515 0.000 1.413 216 H HN 0.553 nan 8.280 nan 0.000 0.465 217 K N 5.570 125.578 120.400 -0.654 0.000 2.328 217 K HA 0.375 4.710 4.320 0.024 0.000 0.246 217 K C -2.755 173.576 176.600 -0.449 0.000 0.955 217 K CA -2.021 54.023 56.287 -0.406 0.000 0.817 217 K CB 2.158 34.495 32.500 -0.272 0.000 1.208 217 K HN 0.469 nan 8.250 nan 0.000 0.432 218 P HA 0.141 nan 4.420 nan 0.000 0.274 218 P C 0.508 177.726 177.300 -0.136 0.000 1.246 218 P CA -0.189 62.829 63.100 -0.137 0.000 0.795 218 P CB 0.465 32.128 31.700 -0.062 0.000 1.006 219 T N -0.918 113.584 114.554 -0.086 0.000 2.788 219 T HA -0.039 4.325 4.350 0.024 0.000 0.268 219 T C 0.596 175.253 174.700 -0.071 0.000 1.044 219 T CA 1.584 63.641 62.100 -0.072 0.000 1.139 219 T CB -0.525 68.321 68.868 -0.037 0.000 0.867 219 T HN 0.422 nan 8.240 nan 0.000 0.454 220 T N 3.696 118.215 114.554 -0.058 0.000 2.738 220 T HA 0.446 4.810 4.350 0.024 0.000 0.298 220 T C -0.253 174.402 174.700 -0.074 0.000 0.962 220 T CA -0.598 61.462 62.100 -0.067 0.000 0.972 220 T CB 0.635 69.481 68.868 -0.037 0.000 0.928 220 T HN 0.469 nan 8.240 nan 0.000 0.474 221 Q N 2.530 122.269 119.800 -0.102 0.000 2.553 221 Q HA 0.618 4.972 4.340 0.024 0.000 0.293 221 Q C -1.189 174.745 176.000 -0.111 0.000 1.038 221 Q CA -1.179 54.554 55.803 -0.117 0.000 0.777 221 Q CB 1.371 30.017 28.738 -0.153 0.000 1.487 221 Q HN 0.459 nan 8.270 nan 0.000 0.426 222 I N 2.522 123.008 120.570 -0.141 0.000 2.436 222 I HA 0.025 4.209 4.170 0.024 0.000 0.289 222 I C 0.773 176.802 176.117 -0.147 0.000 1.083 222 I CA 0.018 61.259 61.300 -0.099 0.000 1.372 222 I CB 1.075 38.986 38.000 -0.148 0.000 1.408 222 I HN 0.885 nan 8.210 nan 0.000 0.516 223 S N 2.564 118.273 115.700 0.015 0.000 2.511 223 S HA 0.195 4.680 4.470 0.024 0.000 0.214 223 S C 0.139 174.930 174.600 0.318 0.000 0.997 223 S CA -0.259 58.014 58.200 0.122 0.000 0.908 223 S CB 0.244 63.472 63.200 0.046 0.000 0.803 223 S HN 0.719 nan 8.310 nan 0.000 0.504 224 D N -0.189 120.391 120.400 0.300 0.000 2.683 224 D HA 0.509 5.164 4.640 0.024 0.000 0.246 224 D C -1.875 174.577 176.300 0.254 0.000 1.238 224 D CA -0.733 53.432 54.000 0.276 0.000 0.759 224 D CB 1.532 42.388 40.800 0.094 0.000 1.349 224 D HN 0.209 nan 8.370 nan 0.000 0.426 225 F N -0.510 119.490 119.950 0.083 0.000 2.615 225 F HA 0.616 5.158 4.527 0.024 0.000 0.312 225 F C -1.438 174.409 175.800 0.078 0.000 1.119 225 F CA -0.816 57.177 58.000 -0.012 0.000 0.979 225 F CB 1.305 40.339 39.000 0.056 0.000 1.266 225 F HN 0.230 nan 8.300 nan 0.000 0.444 226 H N 2.148 121.285 119.070 0.112 0.000 2.547 226 H HA 0.735 5.306 4.556 0.024 0.000 0.342 226 H C -1.262 174.112 175.328 0.077 0.000 1.048 226 H CA -1.460 54.595 56.048 0.011 0.000 1.204 226 H CB 2.571 32.322 29.762 -0.019 0.000 1.493 226 H HN 0.607 nan 8.280 nan 0.000 0.511 227 V N 2.464 122.480 119.914 0.169 0.000 2.448 227 V HA 0.656 4.791 4.120 0.024 0.000 0.295 227 V C -0.247 175.842 176.094 -0.008 0.000 1.025 227 V CA -0.551 61.800 62.300 0.085 0.000 0.859 227 V CB 1.336 33.207 31.823 0.079 0.000 0.988 227 V HN 0.934 nan 8.190 nan 0.000 0.431 228 A N 3.357 126.149 122.820 -0.046 0.000 2.380 228 A HA 0.974 5.308 4.320 0.024 0.000 0.315 228 A C -0.155 177.324 177.584 -0.175 0.000 1.101 228 A CA -0.503 51.484 52.037 -0.083 0.000 0.771 228 A CB 2.009 20.983 19.000 -0.045 0.000 1.287 228 A HN 0.945 nan 8.150 nan 0.000 0.436 229 T N -0.502 113.931 114.554 -0.202 0.000 2.949 229 T HA 0.658 5.022 4.350 0.024 0.000 0.300 229 T C -0.489 174.002 174.700 -0.348 0.000 0.988 229 T CA -0.814 61.067 62.100 -0.365 0.000 0.993 229 T CB 0.850 69.377 68.868 -0.569 0.000 0.984 229 T HN 1.014 nan 8.240 nan 0.000 0.442 230 R N 2.098 122.330 120.500 -0.447 0.000 2.787 230 R HA 0.857 5.212 4.340 0.024 0.000 0.271 230 R C -1.585 174.334 176.300 -0.636 0.000 0.993 230 R CA -0.897 55.024 56.100 -0.297 0.000 0.993 230 R CB 1.220 31.453 30.300 -0.112 0.000 1.155 230 R HN 0.470 nan 8.270 nan 0.000 0.486 231 F N 0.187 120.134 119.950 -0.004 0.000 2.640 231 F HA 0.337 4.877 4.527 0.022 0.000 0.324 231 F C 0.256 175.938 175.800 -0.196 0.000 1.077 231 F CA -1.050 56.898 58.000 -0.086 0.000 0.965 231 F CB 1.386 40.275 39.000 -0.186 0.000 1.351 231 F HN 0.707 nan 8.300 nan 0.000 0.487 232 N N 0.064 118.761 118.700 -0.005 0.000 2.364 232 N HA 0.041 4.796 4.740 0.024 0.000 0.264 232 N C 0.511 175.878 175.510 -0.238 0.000 1.263 232 N CA -0.043 52.955 53.050 -0.085 0.000 0.959 232 N CB 0.062 38.523 38.487 -0.042 0.000 1.204 232 N HN 0.685 nan 8.380 nan 0.000 0.550 233 D N -1.161 119.139 120.400 -0.166 0.000 2.149 233 D HA -0.246 4.409 4.640 0.024 0.000 0.198 233 D C 0.300 176.477 176.300 -0.204 0.000 0.990 233 D CA 1.636 55.529 54.000 -0.179 0.000 0.839 233 D CB -0.569 40.193 40.800 -0.063 0.000 0.948 233 D HN 0.742 nan 8.370 nan 0.000 0.460 234 D N -1.640 118.694 120.400 -0.110 0.000 2.501 234 D HA 0.037 4.691 4.640 0.024 0.000 0.226 234 D C 0.107 176.516 176.300 0.182 0.000 1.198 234 D CA -0.966 53.075 54.000 0.069 0.000 0.830 234 D CB -1.036 39.823 40.800 0.098 0.000 1.014 234 D HN 0.195 nan 8.370 nan 0.000 0.496 235 F N 0.200 120.209 119.950 0.098 0.000 2.914 235 F HA -0.310 4.231 4.527 0.023 0.000 0.304 235 F C 1.778 177.669 175.800 0.151 0.000 0.712 235 F CA 0.860 58.930 58.000 0.117 0.000 1.211 235 F CB -2.446 36.511 39.000 -0.073 0.000 1.515 235 F HN 0.225 nan 8.300 nan 0.000 0.350 236 S N -0.703 115.103 115.700 0.178 0.000 2.527 236 S HA 0.186 4.670 4.470 0.024 0.000 0.222 236 S C 0.686 175.346 174.600 0.101 0.000 0.985 236 S CA 0.144 58.423 58.200 0.132 0.000 0.921 236 S CB 0.266 63.517 63.200 0.085 0.000 0.772 236 S HN 0.460 nan 8.310 nan 0.000 0.529 237 R N 0.186 120.753 120.500 0.112 0.000 2.673 237 R HA 0.812 5.166 4.340 0.024 0.000 0.281 237 R C -1.314 175.028 176.300 0.069 0.000 0.991 237 R CA -0.462 55.672 56.100 0.055 0.000 0.896 237 R CB 2.151 32.459 30.300 0.013 0.000 1.201 237 R HN 0.216 nan 8.270 nan 0.000 0.457 238 A N 1.505 124.306 122.820 -0.031 0.000 2.515 238 A HA 0.719 5.053 4.320 0.024 0.000 0.296 238 A C -1.244 176.264 177.584 -0.127 0.000 1.094 238 A CA -0.703 51.228 52.037 -0.177 0.000 0.718 238 A CB 2.150 21.009 19.000 -0.236 0.000 1.307 238 A HN 0.336 nan 8.150 nan 0.000 0.408 239 V N 1.675 121.480 119.914 -0.181 0.000 2.378 239 V HA 0.391 4.526 4.120 0.024 0.000 0.288 239 V C -0.410 175.613 176.094 -0.117 0.000 1.016 239 V CA -0.311 61.922 62.300 -0.111 0.000 0.840 239 V CB 1.256 33.020 31.823 -0.099 0.000 0.994 239 V HN 0.780 nan 8.190 nan 0.000 0.431 240 L N 4.749 125.943 121.223 -0.048 0.000 2.281 240 L HA 0.555 4.909 4.340 0.024 0.000 0.285 240 L C 0.091 176.918 176.870 -0.072 0.000 1.074 240 L CA 0.119 54.907 54.840 -0.086 0.000 0.817 240 L CB 0.903 42.943 42.059 -0.032 0.000 1.168 240 L HN 0.751 nan 8.230 nan 0.000 0.434 241 E N 4.308 124.461 120.200 -0.078 0.000 2.165 241 E HA 0.610 4.974 4.350 0.024 0.000 0.266 241 E C -1.305 175.288 176.600 -0.012 0.000 0.889 241 E CA -0.736 55.639 56.400 -0.041 0.000 0.756 241 E CB 1.628 31.306 29.700 -0.037 0.000 1.131 241 E HN 0.707 nan 8.360 nan 0.000 0.411 242 A N 4.730 127.552 122.820 0.003 0.000 2.285 242 A HA 0.269 4.604 4.320 0.024 0.000 0.310 242 A C -0.520 177.082 177.584 0.030 0.000 1.266 242 A CA -0.630 51.432 52.037 0.043 0.000 0.832 242 A CB 0.834 19.856 19.000 0.036 0.000 1.163 242 A HN 0.727 nan 8.150 nan 0.000 0.499 243 E N 2.735 122.958 120.200 0.039 0.000 2.194 243 E HA 0.488 4.853 4.350 0.024 0.000 0.284 243 E C -1.205 175.380 176.600 -0.026 0.000 1.035 243 E CA -0.264 56.126 56.400 -0.017 0.000 0.836 243 E CB 0.915 30.587 29.700 -0.047 0.000 1.070 243 E HN 0.373 nan 8.360 nan 0.000 0.401 244 V N 4.881 124.801 119.914 0.010 0.000 2.555 244 V HA 0.292 4.427 4.120 0.024 0.000 0.302 244 V C -0.313 175.862 176.094 0.136 0.000 1.038 244 V CA -0.775 61.576 62.300 0.085 0.000 0.887 244 V CB 1.728 33.596 31.823 0.075 0.000 0.991 244 V HN 0.751 nan 8.190 nan 0.000 0.434 245 Q N 3.697 123.564 119.800 0.111 0.000 2.348 245 Q HA 0.830 5.185 4.340 0.024 0.000 0.271 245 Q C -0.854 175.183 176.000 0.061 0.000 1.067 245 Q CA -0.909 54.941 55.803 0.078 0.000 0.839 245 Q CB 2.679 31.401 28.738 -0.026 0.000 1.354 245 Q HN 0.810 nan 8.270 nan 0.000 0.447 246 M N -1.064 118.460 119.600 -0.126 0.000 2.716 246 M HA 0.744 5.238 4.480 0.024 0.000 0.307 246 M C -1.342 174.834 176.300 -0.208 0.000 1.223 246 M CA -0.546 54.607 55.300 -0.245 0.000 0.871 246 M CB 1.648 33.868 32.600 -0.633 0.000 1.739 246 M HN 0.506 nan 8.290 nan 0.000 0.475 247 C N 0.901 120.099 119.300 -0.170 0.000 2.634 247 C HA 1.028 5.503 4.460 0.024 0.000 0.313 247 C C 0.512 175.418 174.990 -0.141 0.000 1.198 247 C CA 0.680 59.622 59.018 -0.126 0.000 1.605 247 C CB 0.969 28.666 27.740 -0.072 0.000 2.196 247 C HN 1.402 nan 8.230 nan 0.000 0.486 248 G N 2.183 110.911 108.800 -0.119 0.000 2.362 248 G HA2 0.052 4.027 3.960 0.024 0.000 0.517 248 G HA3 0.052 4.027 3.960 0.024 0.000 0.517 248 G C -1.080 173.747 174.900 -0.121 0.000 1.256 248 G CA -0.474 44.561 45.100 -0.107 0.000 1.027 248 G HN 0.932 nan 8.290 nan 0.000 0.491 249 E N -0.133 120.005 120.200 -0.104 0.000 2.259 249 E HA 0.490 4.854 4.350 0.024 0.000 0.281 249 E C 0.441 176.946 176.600 -0.157 0.000 1.037 249 E CA -0.571 55.764 56.400 -0.107 0.000 0.854 249 E CB 0.394 30.050 29.700 -0.073 0.000 1.051 249 E HN 0.485 nan 8.360 nan 0.000 0.409 250 L N 5.169 126.292 121.223 -0.167 0.000 2.380 250 L HA 0.354 4.708 4.340 0.024 0.000 0.273 250 L C 0.490 177.236 176.870 -0.206 0.000 1.138 250 L CA -0.041 54.681 54.840 -0.197 0.000 0.832 250 L CB 0.553 42.520 42.059 -0.153 0.000 1.124 250 L HN 0.546 nan 8.230 nan 0.000 0.454 251 R N 1.884 122.212 120.500 -0.287 0.000 2.604 251 R HA 0.150 4.504 4.340 0.024 0.000 0.281 251 R C -0.371 175.687 176.300 -0.404 0.000 1.020 251 R CA -0.793 55.033 56.100 -0.457 0.000 0.899 251 R CB 1.948 31.712 30.300 -0.894 0.000 1.205 251 R HN 0.585 nan 8.270 nan 0.000 0.450 252 D N 1.430 121.684 120.400 -0.243 0.000 2.271 252 D HA -0.179 4.475 4.640 0.024 0.000 0.207 252 D C 1.450 177.721 176.300 -0.047 0.000 0.983 252 D CA 1.709 55.651 54.000 -0.095 0.000 0.878 252 D CB 0.141 40.930 40.800 -0.019 0.000 0.920 252 D HN 0.581 nan 8.370 nan 0.000 0.479 253 Y N 0.010 120.323 120.300 0.021 0.000 2.529 253 Y HA 0.260 4.825 4.550 0.024 0.000 0.290 253 Y C 0.761 176.663 175.900 0.002 0.000 1.177 253 Y CA -0.499 57.608 58.100 0.012 0.000 1.305 253 Y CB -0.950 37.518 38.460 0.015 0.000 1.047 253 Y HN -0.196 nan 8.280 nan 0.000 0.522 254 L N 2.283 123.478 121.223 -0.047 0.000 2.436 254 L HA 0.380 4.734 4.340 0.024 0.000 0.265 254 L C 0.224 177.063 176.870 -0.052 0.000 1.168 254 L CA -0.293 54.574 54.840 0.046 0.000 0.815 254 L CB 0.480 42.613 42.059 0.123 0.000 1.109 254 L HN 0.084 nan 8.230 nan 0.000 0.462 255 R N 1.273 121.627 120.500 -0.242 0.000 2.707 255 R HA 0.657 5.011 4.340 0.024 0.000 0.272 255 R C -1.548 174.374 176.300 -0.630 0.000 1.011 255 R CA -0.790 55.003 56.100 -0.512 0.000 0.893 255 R CB 2.139 31.971 30.300 -0.781 0.000 1.233 255 R HN 0.277 nan 8.270 nan 0.000 0.464 256 V N 1.128 120.734 119.914 -0.514 0.000 2.604 256 V HA 0.532 4.666 4.120 0.024 0.000 0.305 256 V C -0.208 175.837 176.094 -0.082 0.000 1.043 256 V CA -0.548 61.562 62.300 -0.317 0.000 0.888 256 V CB 2.279 33.865 31.823 -0.394 0.000 0.995 256 V HN 0.712 nan 8.190 nan 0.000 0.429 257 T N 3.914 118.530 114.554 0.104 0.000 2.807 257 T HA 0.614 4.978 4.350 0.024 0.000 0.279 257 T C -0.631 174.082 174.700 0.022 0.000 0.993 257 T CA -0.360 61.799 62.100 0.099 0.000 0.970 257 T CB 1.640 70.585 68.868 0.127 0.000 0.950 257 T HN 0.344 nan 8.240 nan 0.000 0.441 258 V N 3.787 123.695 119.914 -0.010 0.000 2.448 258 V HA 0.685 4.819 4.120 0.024 0.000 0.295 258 V C 0.002 176.091 176.094 -0.008 0.000 1.025 258 V CA -0.755 61.535 62.300 -0.016 0.000 0.859 258 V CB 1.740 33.543 31.823 -0.034 0.000 0.988 258 V HN 1.041 nan 8.190 nan 0.000 0.431 259 S N 5.388 121.108 115.700 0.035 0.000 2.536 259 S HA 0.869 5.353 4.470 0.024 0.000 0.298 259 S C -1.144 173.468 174.600 0.020 0.000 1.083 259 S CA -0.753 57.440 58.200 -0.011 0.000 0.995 259 S CB 2.098 65.317 63.200 0.032 0.000 1.058 259 S HN 0.567 nan 8.310 nan 0.000 0.488 260 L N 2.431 123.552 121.223 -0.169 0.000 2.356 260 L HA 0.812 5.167 4.340 0.024 0.000 0.277 260 L C -1.973 174.796 176.870 -0.169 0.000 0.996 260 L CA -0.298 54.539 54.840 -0.006 0.000 0.822 260 L CB 1.043 43.119 42.059 0.028 0.000 1.256 260 L HN 0.912 nan 8.230 nan 0.000 0.413 261 W N 3.512 124.920 121.300 0.179 0.000 2.844 261 W HA 0.630 5.304 4.660 0.024 0.000 0.340 261 W C -0.631 175.993 176.519 0.175 0.000 1.093 261 W CA -0.495 56.934 57.345 0.139 0.000 1.212 261 W CB 1.474 30.965 29.460 0.052 0.000 1.422 261 W HN 0.336 nan 8.180 nan 0.000 0.515 262 Q N 2.294 122.259 119.800 0.276 0.000 2.558 262 Q HA 0.486 4.841 4.340 0.024 0.000 0.252 262 Q C 0.414 176.436 176.000 0.037 0.000 1.015 262 Q CA 0.061 55.842 55.803 -0.037 0.000 0.720 262 Q CB 0.620 29.256 28.738 -0.170 0.000 1.215 262 Q HN 0.783 nan 8.270 nan 0.000 0.500 263 G N 3.609 112.433 108.800 0.040 0.000 2.550 263 G HA2 -0.322 3.653 3.960 0.024 0.000 0.277 263 G HA3 -0.322 3.653 3.960 0.024 0.000 0.277 263 G C 0.523 175.496 174.900 0.122 0.000 1.190 263 G CA 0.262 45.386 45.100 0.039 0.000 0.971 263 G HN 0.559 nan 8.290 nan 0.000 0.559 264 E N 0.708 120.971 120.200 0.104 0.000 2.481 264 E HA 0.078 4.442 4.350 0.024 0.000 0.195 264 E C 0.773 177.564 176.600 0.318 0.000 1.047 264 E CA 0.720 57.211 56.400 0.152 0.000 0.867 264 E CB -0.013 29.726 29.700 0.065 0.000 0.858 264 E HN 0.345 nan 8.360 nan 0.000 0.513 265 T N 1.288 115.994 114.554 0.254 0.000 2.817 265 T HA 0.084 4.448 4.350 0.024 0.000 0.293 265 T C -0.103 174.659 174.700 0.103 0.000 0.964 265 T CA -0.131 62.068 62.100 0.164 0.000 1.085 265 T CB 1.313 70.218 68.868 0.063 0.000 0.921 265 T HN 0.026 nan 8.240 nan 0.000 0.502 266 Q N 3.447 123.127 119.800 -0.201 0.000 2.307 266 Q HA 0.250 4.604 4.340 0.024 0.000 0.259 266 Q C 0.486 176.240 176.000 -0.410 0.000 0.998 266 Q CA -0.393 54.922 55.803 -0.814 0.000 0.923 266 Q CB 0.692 28.803 28.738 -1.044 0.000 1.196 266 Q HN 0.534 nan 8.270 nan 0.000 0.416 267 V N 2.993 122.713 119.914 -0.323 0.000 2.599 267 V HA 0.207 4.341 4.120 0.024 0.000 0.245 267 V C 0.394 176.386 176.094 -0.171 0.000 1.046 267 V CA 1.349 63.565 62.300 -0.139 0.000 1.065 267 V CB 0.191 32.029 31.823 0.025 0.000 0.703 267 V HN 0.814 nan 8.190 nan 0.000 0.464 268 A N -1.375 121.304 122.820 -0.235 0.000 2.601 268 A HA 0.770 5.104 4.320 0.024 0.000 0.291 268 A C -0.788 176.671 177.584 -0.209 0.000 1.075 268 A CA 0.065 51.994 52.037 -0.179 0.000 0.671 268 A CB 1.876 20.809 19.000 -0.112 0.000 1.277 268 A HN 0.089 nan 8.150 nan 0.000 0.417 269 S N -0.988 114.624 115.700 -0.147 0.000 2.542 269 S HA 0.750 5.235 4.470 0.024 0.000 0.276 269 S C -0.596 173.959 174.600 -0.076 0.000 1.148 269 S CA 0.264 58.392 58.200 -0.120 0.000 0.886 269 S CB 1.469 64.586 63.200 -0.138 0.000 1.109 269 S HN 2.374 nan 8.310 nan 0.000 0.458 270 G N 1.639 110.408 108.800 -0.053 0.000 2.696 270 G HA2 0.696 4.671 3.960 0.024 0.000 0.295 270 G HA3 0.696 4.671 3.960 0.024 0.000 0.295 270 G C -1.363 173.522 174.900 -0.026 0.000 1.398 270 G CA -0.445 44.630 45.100 -0.042 0.000 0.920 270 G HN 0.742 nan 8.290 nan 0.000 0.492 271 T N -0.464 114.077 114.554 -0.021 0.000 2.903 271 T HA 0.869 5.234 4.350 0.024 0.000 0.299 271 T C -0.420 174.249 174.700 -0.052 0.000 1.093 271 T CA -0.011 62.084 62.100 -0.008 0.000 1.002 271 T CB 1.908 70.809 68.868 0.055 0.000 1.127 271 T HN 1.634 nan 8.240 nan 0.000 0.488 272 A N 2.670 125.424 122.820 -0.110 0.000 2.608 272 A HA 0.904 5.239 4.320 0.024 0.000 0.292 272 A C -3.125 174.321 177.584 -0.231 0.000 1.066 272 A CA -1.513 50.442 52.037 -0.138 0.000 0.676 272 A CB 1.248 20.164 19.000 -0.140 0.000 1.277 272 A HN 0.535 nan 8.150 nan 0.000 0.413 273 P HA 0.549 nan 4.420 nan 0.000 0.278 273 P C -0.597 176.549 177.300 -0.257 0.000 1.266 273 P CA -0.330 62.651 63.100 -0.197 0.000 0.807 273 P CB 0.390 32.050 31.700 -0.067 0.000 1.094 274 F N -0.229 119.684 119.950 -0.062 0.000 2.450 274 F HA 0.461 5.002 4.527 0.023 0.000 0.339 274 F C 1.473 177.258 175.800 -0.026 0.000 1.146 274 F CA 1.501 59.474 58.000 -0.045 0.000 1.267 274 F CB 0.231 39.200 39.000 -0.053 0.000 1.178 274 F HN 0.574 nan 8.300 nan 0.000 0.585 275 G N 1.615 110.541 108.800 0.211 0.000 2.781 275 G HA2 0.334 4.309 3.960 0.024 0.000 0.468 275 G HA3 0.334 4.309 3.960 0.024 0.000 0.468 275 G C -0.482 174.473 174.900 0.091 0.000 1.186 275 G CA -0.750 44.425 45.100 0.125 0.000 1.220 275 G HN 1.040 nan 8.290 nan 0.000 0.564 276 G N 0.719 109.594 108.800 0.124 0.000 2.580 276 G HA2 0.692 4.667 3.960 0.024 0.000 0.278 276 G HA3 0.692 4.667 3.960 0.024 0.000 0.278 276 G C 0.477 175.425 174.900 0.079 0.000 1.212 276 G CA 0.040 45.205 45.100 0.108 0.000 0.939 276 G HN 1.114 nan 8.290 nan 0.000 0.513 277 E N -0.720 119.519 120.200 0.065 0.000 2.409 277 E HA 0.138 4.503 4.350 0.024 0.000 0.257 277 E C -0.243 176.385 176.600 0.046 0.000 1.150 277 E CA -0.548 55.879 56.400 0.044 0.000 0.942 277 E CB 0.805 30.526 29.700 0.035 0.000 0.979 277 E HN 0.301 nan 8.360 nan 0.000 0.447 278 I N 2.015 122.600 120.570 0.024 0.000 2.668 278 I HA -0.148 4.037 4.170 0.024 0.000 0.285 278 I C 0.965 177.093 176.117 0.020 0.000 1.168 278 I CA 0.004 61.311 61.300 0.011 0.000 1.424 278 I CB 0.256 38.257 38.000 0.002 0.000 1.377 278 I HN 0.595 nan 8.210 nan 0.000 0.560 279 I N 4.209 124.785 120.570 0.011 0.000 2.729 279 I HA 0.063 4.248 4.170 0.024 0.000 0.256 279 I C 0.631 176.752 176.117 0.006 0.000 1.115 279 I CA 1.057 62.373 61.300 0.027 0.000 1.446 279 I CB -0.826 37.194 38.000 0.032 0.000 1.176 279 I HN 0.700 nan 8.210 nan 0.000 0.446 280 D N -1.418 118.969 120.400 -0.021 0.000 2.921 280 D HA 0.129 4.783 4.640 0.024 0.000 0.329 280 D C 0.391 176.676 176.300 -0.026 0.000 1.293 280 D CA -0.418 53.571 54.000 -0.019 0.000 0.964 280 D CB 0.462 41.251 40.800 -0.020 0.000 1.435 280 D HN -0.270 nan 8.370 nan 0.000 0.548 281 E N -1.042 119.145 120.200 -0.022 0.000 2.331 281 E HA -0.042 4.322 4.350 0.024 0.000 0.199 281 E C 1.312 177.893 176.600 -0.031 0.000 1.008 281 E CA 0.924 57.312 56.400 -0.022 0.000 0.843 281 E CB -0.033 29.657 29.700 -0.017 0.000 0.761 281 E HN 0.213 nan 8.360 nan 0.000 0.507 282 R N -0.491 119.982 120.500 -0.045 0.000 2.334 282 R HA 0.305 4.659 4.340 0.024 0.000 0.216 282 R C 0.862 177.119 176.300 -0.072 0.000 0.905 282 R CA 0.700 56.766 56.100 -0.057 0.000 1.064 282 R CB 0.732 30.991 30.300 -0.068 0.000 1.046 282 R HN 0.205 nan 8.270 nan 0.000 0.508 283 G N -0.563 108.196 108.800 -0.068 0.000 2.358 283 G HA2 -0.072 3.903 3.960 0.024 0.000 0.198 283 G HA3 -0.072 3.903 3.960 0.024 0.000 0.198 283 G C -0.320 174.526 174.900 -0.091 0.000 1.220 283 G CA -0.615 44.444 45.100 -0.068 0.000 1.187 283 G HN 0.459 nan 8.290 nan 0.000 0.544 284 G N -1.976 106.765 108.800 -0.099 0.000 3.105 284 G HA2 0.650 4.625 3.960 0.024 0.000 0.277 284 G HA3 0.650 4.625 3.960 0.024 0.000 0.277 284 G C -1.594 173.200 174.900 -0.176 0.000 1.375 284 G CA -0.711 44.334 45.100 -0.092 0.000 0.962 284 G HN 0.783 nan 8.290 nan 0.000 0.541 285 Y N 1.046 121.357 120.300 0.018 0.000 2.504 285 Y HA 0.431 4.995 4.550 0.023 0.000 0.351 285 Y C 1.446 177.364 175.900 0.031 0.000 0.988 285 Y CA 0.136 58.248 58.100 0.020 0.000 1.239 285 Y CB 1.591 40.067 38.460 0.027 0.000 1.128 285 Y HN 0.543 nan 8.280 nan 0.000 0.525 286 A N 1.832 124.711 122.820 0.099 0.000 2.119 286 A HA -0.136 4.198 4.320 0.024 0.000 0.217 286 A C 1.418 179.057 177.584 0.091 0.000 1.153 286 A CA 1.384 53.468 52.037 0.078 0.000 0.692 286 A CB -0.269 18.740 19.000 0.015 0.000 0.799 286 A HN 0.783 nan 8.150 nan 0.000 0.458 287 D N -0.856 119.591 120.400 0.077 0.000 2.358 287 D HA 0.131 4.786 4.640 0.024 0.000 0.224 287 D C 0.462 176.781 176.300 0.031 0.000 1.123 287 D CA -0.066 53.885 54.000 -0.081 0.000 0.833 287 D CB -0.020 40.725 40.800 -0.091 0.000 0.946 287 D HN 0.402 nan 8.370 nan 0.000 0.505 288 R N -0.912 119.752 120.500 0.273 0.000 2.836 288 R HA 0.755 5.109 4.340 0.024 0.000 0.269 288 R C -1.600 174.885 176.300 0.309 0.000 1.010 288 R CA -1.146 55.135 56.100 0.301 0.000 0.930 288 R CB 2.952 33.305 30.300 0.088 0.000 1.218 288 R HN -0.028 nan 8.270 nan 0.000 0.473 289 V N 0.221 120.223 119.914 0.147 0.000 3.077 289 V HA 0.467 4.601 4.120 0.024 0.000 0.299 289 V C -1.496 174.579 176.094 -0.031 0.000 1.276 289 V CA -0.328 61.971 62.300 -0.002 0.000 0.993 289 V CB 2.795 34.494 31.823 -0.207 0.000 1.076 289 V HN 0.815 nan 8.190 nan 0.000 0.434 290 T N 7.085 121.620 114.554 -0.031 0.000 2.779 290 T HA 0.610 4.974 4.350 0.024 0.000 0.280 290 T C -0.896 173.777 174.700 -0.044 0.000 0.987 290 T CA -0.398 61.685 62.100 -0.028 0.000 0.966 290 T CB 1.041 69.903 68.868 -0.010 0.000 0.933 290 T HN 0.423 nan 8.240 nan 0.000 0.442 291 L N 3.574 124.770 121.223 -0.045 0.000 2.325 291 L HA 0.577 4.931 4.340 0.024 0.000 0.278 291 L C 0.420 177.267 176.870 -0.038 0.000 1.023 291 L CA -0.483 54.328 54.840 -0.049 0.000 0.811 291 L CB 1.505 43.532 42.059 -0.053 0.000 1.249 291 L HN 0.538 nan 8.230 nan 0.000 0.431 292 R N 4.277 124.754 120.500 -0.039 0.000 2.439 292 R HA 0.688 5.042 4.340 0.024 0.000 0.310 292 R C -1.191 175.084 176.300 -0.041 0.000 0.955 292 R CA -0.717 55.360 56.100 -0.039 0.000 0.853 292 R CB 2.088 32.367 30.300 -0.036 0.000 1.171 292 R HN 0.475 nan 8.270 nan 0.000 0.449 293 L N 2.786 123.985 121.223 -0.040 0.000 2.362 293 L HA 0.439 4.793 4.340 0.024 0.000 0.275 293 L C -0.207 176.638 176.870 -0.041 0.000 0.998 293 L CA -1.093 53.722 54.840 -0.042 0.000 0.820 293 L CB 1.884 43.921 42.059 -0.037 0.000 1.270 293 L HN 0.441 nan 8.230 nan 0.000 0.415 294 N N 2.387 121.057 118.700 -0.049 0.000 2.488 294 N HA 0.351 5.105 4.740 0.024 0.000 0.274 294 N C -0.857 174.611 175.510 -0.071 0.000 1.111 294 N CA -0.176 52.841 53.050 -0.055 0.000 0.974 294 N CB 2.512 40.969 38.487 -0.050 0.000 1.089 294 N HN 0.204 nan 8.380 nan 0.000 0.465 295 V N 2.378 122.238 119.914 -0.090 0.000 2.443 295 V HA 0.203 4.337 4.120 0.024 0.000 0.293 295 V C -0.153 175.864 176.094 -0.128 0.000 1.021 295 V CA -0.864 61.345 62.300 -0.152 0.000 0.848 295 V CB 1.893 33.524 31.823 -0.320 0.000 0.998 295 V HN 0.464 nan 8.190 nan 0.000 0.424 296 E N 2.969 123.114 120.200 -0.090 0.000 2.249 296 E HA 0.329 4.694 4.350 0.024 0.000 0.280 296 E C 0.160 176.736 176.600 -0.041 0.000 1.016 296 E CA -0.500 55.871 56.400 -0.048 0.000 0.830 296 E CB 0.763 30.446 29.700 -0.029 0.000 1.081 296 E HN 0.753 nan 8.360 nan 0.000 0.395 297 N N 1.215 119.912 118.700 -0.004 0.000 2.705 297 N HA -0.146 4.609 4.740 0.024 0.000 0.255 297 N C -2.470 173.042 175.510 0.004 0.000 1.008 297 N CA 0.027 53.090 53.050 0.021 0.000 0.742 297 N CB -1.001 37.499 38.487 0.022 0.000 0.906 297 N HN 0.322 nan 8.380 nan 0.000 0.541 298 P HA 0.009 nan 4.420 nan 0.000 0.269 298 P C -0.434 176.898 177.300 0.053 0.000 1.215 298 P CA 0.311 63.325 63.100 -0.144 0.000 0.780 298 P CB 0.692 32.115 31.700 -0.462 0.000 0.898 299 K N 2.313 122.820 120.400 0.179 0.000 2.349 299 K HA 0.283 4.618 4.320 0.024 0.000 0.289 299 K C 0.211 176.963 176.600 0.253 0.000 1.064 299 K CA -0.333 56.056 56.287 0.171 0.000 0.947 299 K CB 0.092 32.656 32.500 0.107 0.000 1.007 299 K HN 0.396 nan 8.250 nan 0.000 0.478 300 L N 2.390 123.694 121.223 0.135 0.000 2.418 300 L HA 0.309 4.663 4.340 0.024 0.000 0.265 300 L C -0.042 176.906 176.870 0.131 0.000 1.143 300 L CA -0.788 54.137 54.840 0.141 0.000 0.809 300 L CB 0.449 42.442 42.059 -0.110 0.000 1.124 300 L HN 0.624 nan 8.230 nan 0.000 0.456 301 W N 2.704 124.031 121.300 0.044 0.000 2.438 301 W HA 0.488 5.162 4.660 0.023 0.000 0.324 301 W C -0.084 176.380 176.519 -0.093 0.000 1.119 301 W CA 0.020 57.375 57.345 0.017 0.000 1.221 301 W CB 1.370 30.896 29.460 0.111 0.000 1.253 301 W HN 0.598 nan 8.180 nan 0.000 0.555 302 S N 2.969 118.110 115.700 -0.931 0.000 2.656 302 S HA 0.651 5.136 4.470 0.024 0.000 0.273 302 S C 0.190 174.003 174.600 -1.311 0.000 1.168 302 S CA -0.362 57.329 58.200 -0.848 0.000 0.817 302 S CB 1.135 64.113 63.200 -0.371 0.000 1.146 302 S HN 1.010 nan 8.310 nan 0.000 0.475 303 A N 0.523 122.728 122.820 -1.025 0.000 2.015 303 A HA 0.017 4.351 4.320 0.024 0.000 0.219 303 A C 1.798 179.058 177.584 -0.541 0.000 1.163 303 A CA 1.575 53.037 52.037 -0.959 0.000 0.646 303 A CB -1.038 17.308 19.000 -1.089 0.000 0.806 303 A HN 0.877 nan 8.150 nan 0.000 0.448 304 E N -0.739 119.274 120.200 -0.311 0.000 2.047 304 E HA -0.020 4.344 4.350 0.024 0.000 0.191 304 E C -0.172 176.287 176.600 -0.235 0.000 0.987 304 E CA 0.825 57.103 56.400 -0.203 0.000 0.799 304 E CB -0.055 29.664 29.700 0.032 0.000 0.752 304 E HN 0.616 nan 8.360 nan 0.000 0.449 305 I N 1.512 121.920 120.570 -0.270 0.000 2.560 305 I HA 0.154 4.338 4.170 0.024 0.000 0.278 305 I C -2.513 173.385 176.117 -0.365 0.000 1.089 305 I CA -1.868 59.294 61.300 -0.230 0.000 1.086 305 I CB 2.276 40.191 38.000 -0.142 0.000 1.202 305 I HN -0.211 nan 8.210 nan 0.000 0.471 306 P HA 0.092 nan 4.420 nan 0.000 0.226 306 P C -0.593 176.693 177.300 -0.024 0.000 1.783 306 P CA -0.253 62.552 63.100 -0.492 0.000 0.980 306 P CB -0.248 31.323 31.700 -0.214 0.000 1.967 307 N N 1.769 120.477 118.700 0.013 0.000 2.454 307 N HA 0.125 4.880 4.740 0.024 0.000 0.260 307 N C 0.102 175.825 175.510 0.354 0.000 1.218 307 N CA 0.463 53.594 53.050 0.135 0.000 0.904 307 N CB 0.818 39.380 38.487 0.126 0.000 1.065 307 N HN 0.299 nan 8.380 nan 0.000 0.462 308 L N 2.273 123.635 121.223 0.231 0.000 2.354 308 L HA 0.488 4.843 4.340 0.024 0.000 0.264 308 L C -0.826 176.141 176.870 0.163 0.000 1.008 308 L CA -0.864 54.160 54.840 0.307 0.000 0.819 308 L CB 1.299 43.498 42.059 0.233 0.000 1.339 308 L HN 0.387 nan 8.230 nan 0.000 0.420 309 Y N 0.168 120.616 120.300 0.247 0.000 2.650 309 Y HA 0.657 5.222 4.550 0.025 0.000 0.331 309 Y C -0.235 175.785 175.900 0.200 0.000 1.082 309 Y CA -0.870 57.375 58.100 0.242 0.000 1.171 309 Y CB 1.691 40.356 38.460 0.340 0.000 1.326 309 Y HN 0.376 nan 8.280 nan 0.000 0.513 310 R N 1.011 121.747 120.500 0.394 0.000 2.480 310 R HA 0.798 5.152 4.340 0.024 0.000 0.306 310 R C -1.623 174.870 176.300 0.321 0.000 0.958 310 R CA -0.514 55.751 56.100 0.274 0.000 0.861 310 R CB 1.073 31.470 30.300 0.161 0.000 1.171 310 R HN 0.739 nan 8.270 nan 0.000 0.445 311 A N 3.978 126.927 122.820 0.215 0.000 2.276 311 A HA 0.604 4.939 4.320 0.024 0.000 0.316 311 A C -0.975 176.667 177.584 0.097 0.000 1.229 311 A CA -0.613 51.523 52.037 0.166 0.000 0.851 311 A CB 1.124 20.187 19.000 0.105 0.000 1.165 311 A HN 0.490 nan 8.150 nan 0.000 0.513 312 V N 3.430 123.412 119.914 0.113 0.000 2.448 312 V HA 0.419 4.553 4.120 0.024 0.000 0.295 312 V C -0.411 175.660 176.094 -0.039 0.000 1.025 312 V CA -0.491 61.818 62.300 0.015 0.000 0.859 312 V CB 1.671 33.522 31.823 0.047 0.000 0.988 312 V HN 0.614 nan 8.190 nan 0.000 0.431 313 V N 4.729 124.551 119.914 -0.153 0.000 2.350 313 V HA 0.426 4.560 4.120 0.024 0.000 0.285 313 V C -0.138 175.899 176.094 -0.095 0.000 1.014 313 V CA -0.595 61.598 62.300 -0.178 0.000 0.831 313 V CB 1.379 32.942 31.823 -0.433 0.000 1.000 313 V HN 0.929 nan 8.190 nan 0.000 0.433 314 E N 3.978 124.175 120.200 -0.003 0.000 2.151 314 E HA 0.496 4.861 4.350 0.024 0.000 0.275 314 E C -0.960 175.728 176.600 0.147 0.000 0.936 314 E CA -0.858 55.588 56.400 0.077 0.000 0.777 314 E CB 2.526 32.293 29.700 0.111 0.000 1.108 314 E HN 0.480 nan 8.360 nan 0.000 0.401 315 L N 4.660 125.948 121.223 0.108 0.000 2.264 315 L HA 0.379 4.733 4.340 0.024 0.000 0.289 315 L C -0.956 176.005 176.870 0.151 0.000 1.044 315 L CA 0.130 55.022 54.840 0.087 0.000 0.807 315 L CB -0.015 42.089 42.059 0.075 0.000 1.192 315 L HN 0.657 nan 8.230 nan 0.000 0.425 316 H N 0.301 119.406 119.070 0.058 0.000 2.942 316 H HA 0.797 5.368 4.556 0.024 0.000 0.316 316 H C -0.652 174.741 175.328 0.108 0.000 1.323 316 H CA -0.507 55.579 56.048 0.065 0.000 1.144 316 H CB 0.713 30.495 29.762 0.033 0.000 1.866 316 H HN 0.526 nan 8.280 nan 0.000 0.545 317 T N -2.225 112.469 114.554 0.234 0.000 2.902 317 T HA 0.527 4.891 4.350 0.024 0.000 0.280 317 T C 1.480 176.316 174.700 0.227 0.000 0.992 317 T CA -0.380 61.844 62.100 0.207 0.000 1.015 317 T CB 1.435 70.369 68.868 0.110 0.000 1.044 317 T HN 0.926 nan 8.240 nan 0.000 0.520 318 A N 1.253 124.178 122.820 0.174 0.000 1.986 318 A HA -0.144 4.191 4.320 0.024 0.000 0.220 318 A C 1.870 179.522 177.584 0.113 0.000 1.171 318 A CA 2.085 54.206 52.037 0.140 0.000 0.640 318 A CB -1.233 17.838 19.000 0.117 0.000 0.811 318 A HN 1.006 nan 8.150 nan 0.000 0.451 319 D N -2.544 117.898 120.400 0.070 0.000 2.348 319 D HA 0.254 4.908 4.640 0.024 0.000 0.216 319 D C 1.223 177.548 176.300 0.040 0.000 0.970 319 D CA 1.252 55.271 54.000 0.033 0.000 0.889 319 D CB -0.448 40.346 40.800 -0.011 0.000 0.912 319 D HN 0.873 nan 8.370 nan 0.000 0.524 320 G N -1.148 107.705 108.800 0.089 0.000 2.192 320 G HA2 -0.209 3.765 3.960 0.024 0.000 0.193 320 G HA3 -0.209 3.765 3.960 0.024 0.000 0.193 320 G C 0.273 175.192 174.900 0.032 0.000 0.999 320 G CA 0.043 45.166 45.100 0.038 0.000 0.659 320 G HN 0.418 nan 8.290 nan 0.000 0.503 321 T N 1.998 116.589 114.554 0.062 0.000 2.870 321 T HA 0.478 4.843 4.350 0.024 0.000 0.300 321 T C 0.338 175.096 174.700 0.096 0.000 0.989 321 T CA -0.053 62.076 62.100 0.049 0.000 1.139 321 T CB 2.003 70.888 68.868 0.029 0.000 0.920 321 T HN 0.559 nan 8.240 nan 0.000 0.537 322 L N 4.377 125.637 121.223 0.062 0.000 2.380 322 L HA 0.337 4.691 4.340 0.024 0.000 0.273 322 L C 0.814 177.734 176.870 0.084 0.000 1.138 322 L CA 0.288 55.181 54.840 0.088 0.000 0.832 322 L CB 0.118 42.201 42.059 0.040 0.000 1.124 322 L HN 0.701 nan 8.230 nan 0.000 0.454 323 I N 2.395 123.027 120.570 0.104 0.000 2.512 323 I HA 0.094 4.278 4.170 0.024 0.000 0.247 323 I C 0.257 176.399 176.117 0.042 0.000 1.094 323 I CA 0.517 61.859 61.300 0.069 0.000 1.427 323 I CB 0.159 38.205 38.000 0.076 0.000 1.149 323 I HN 0.811 nan 8.210 nan 0.000 0.438 324 E N -0.079 120.147 120.200 0.043 0.000 2.429 324 E HA 0.729 5.093 4.350 0.024 0.000 0.280 324 E C -1.404 175.221 176.600 0.042 0.000 1.068 324 E CA -1.109 55.309 56.400 0.030 0.000 0.837 324 E CB 1.717 31.401 29.700 -0.026 0.000 1.357 324 E HN -0.004 nan 8.360 nan 0.000 0.455 325 A N 0.900 123.767 122.820 0.078 0.000 2.449 325 A HA 0.706 5.040 4.320 0.024 0.000 0.302 325 A C -1.059 176.626 177.584 0.169 0.000 1.048 325 A CA -0.739 51.347 52.037 0.083 0.000 0.708 325 A CB 1.655 20.703 19.000 0.079 0.000 1.274 325 A HN 0.493 nan 8.150 nan 0.000 0.410 326 E N -0.349 119.883 120.200 0.052 0.000 2.339 326 E HA 0.852 5.217 4.350 0.024 0.000 0.262 326 E C -0.499 176.129 176.600 0.047 0.000 0.934 326 E CA -0.500 55.975 56.400 0.127 0.000 0.802 326 E CB 2.399 32.069 29.700 -0.050 0.000 1.275 326 E HN 1.225 nan 8.360 nan 0.000 0.427 327 A N -0.144 122.815 122.820 0.232 0.000 2.566 327 A HA 0.726 5.060 4.320 0.024 0.000 0.290 327 A C -1.165 176.609 177.584 0.316 0.000 1.071 327 A CA -0.373 51.741 52.037 0.128 0.000 0.658 327 A CB 0.681 19.694 19.000 0.022 0.000 1.285 327 A HN 0.870 nan 8.150 nan 0.000 0.427 328 C N -0.772 118.667 119.300 0.232 0.000 3.321 328 C HA 0.808 5.282 4.460 0.024 0.000 0.329 328 C C -1.374 173.714 174.990 0.163 0.000 1.394 328 C CA -0.941 58.220 59.018 0.238 0.000 1.291 328 C CB 1.022 28.914 27.740 0.253 0.000 1.606 328 C HN 0.818 nan 8.230 nan 0.000 0.463 329 D N 0.871 121.352 120.400 0.135 0.000 2.302 329 D HA 0.579 5.234 4.640 0.024 0.000 0.248 329 D C -0.389 175.970 176.300 0.099 0.000 1.094 329 D CA 0.168 54.248 54.000 0.134 0.000 0.897 329 D CB 1.879 42.761 40.800 0.136 0.000 1.200 329 D HN 0.545 nan 8.370 nan 0.000 0.429 330 V N 1.017 121.019 119.914 0.146 0.000 2.604 330 V HA 0.706 4.841 4.120 0.024 0.000 0.305 330 V C 0.549 176.720 176.094 0.128 0.000 1.043 330 V CA -0.811 61.525 62.300 0.060 0.000 0.888 330 V CB 2.082 33.925 31.823 0.034 0.000 0.995 330 V HN 0.608 nan 8.190 nan 0.000 0.429 331 G N 2.761 111.536 108.800 -0.042 0.000 2.544 331 G HA2 0.627 4.602 3.960 0.024 0.000 0.313 331 G HA3 0.627 4.602 3.960 0.024 0.000 0.313 331 G C -1.164 173.817 174.900 0.136 0.000 1.316 331 G CA -0.405 44.768 45.100 0.120 0.000 0.944 331 G HN 0.396 nan 8.290 nan 0.000 0.489 332 F N 3.950 124.092 119.950 0.320 0.000 2.434 332 F HA 0.495 5.036 4.527 0.024 0.000 0.358 332 F C 1.084 177.134 175.800 0.416 0.000 1.136 332 F CA -0.223 58.030 58.000 0.421 0.000 1.157 332 F CB 0.770 40.035 39.000 0.442 0.000 1.167 332 F HN 0.456 nan 8.300 nan 0.000 0.539 333 R N 2.903 123.682 120.500 0.466 0.000 2.664 333 R HA 0.399 4.753 4.340 0.024 0.000 0.266 333 R C -1.852 174.576 176.300 0.213 0.000 1.046 333 R CA -0.780 55.420 56.100 0.168 0.000 0.885 333 R CB 1.511 31.962 30.300 0.253 0.000 1.254 333 R HN 0.594 nan 8.270 nan 0.000 0.465 334 E N 1.935 122.152 120.200 0.027 0.000 2.183 334 E HA 0.501 4.865 4.350 0.024 0.000 0.271 334 E C -1.185 175.473 176.600 0.096 0.000 0.919 334 E CA -0.971 55.541 56.400 0.187 0.000 0.781 334 E CB 2.138 32.036 29.700 0.330 0.000 1.140 334 E HN 0.399 nan 8.360 nan 0.000 0.402 335 V N 5.341 125.314 119.914 0.099 0.000 2.444 335 V HA 0.553 4.687 4.120 0.024 0.000 0.294 335 V C -0.308 175.824 176.094 0.064 0.000 1.022 335 V CA -0.696 61.635 62.300 0.051 0.000 0.850 335 V CB 1.232 33.065 31.823 0.017 0.000 0.992 335 V HN 0.720 nan 8.190 nan 0.000 0.426 336 R N 4.124 124.658 120.500 0.057 0.000 2.739 336 R HA 0.757 5.111 4.340 0.024 0.000 0.271 336 R C -1.865 174.461 176.300 0.043 0.000 1.010 336 R CA -0.955 55.182 56.100 0.062 0.000 0.897 336 R CB 2.118 32.470 30.300 0.087 0.000 1.236 336 R HN 0.500 nan 8.270 nan 0.000 0.466 337 I N 1.292 121.889 120.570 0.044 0.000 2.321 337 I HA 0.337 4.521 4.170 0.024 0.000 0.291 337 I C -0.502 175.638 176.117 0.038 0.000 0.998 337 I CA -0.336 60.984 61.300 0.033 0.000 1.227 337 I CB 1.706 39.727 38.000 0.035 0.000 1.368 337 I HN 0.687 nan 8.210 nan 0.000 0.466 338 E N 5.408 125.627 120.200 0.031 0.000 2.308 338 E HA 0.261 4.625 4.350 0.024 0.000 0.275 338 E C -0.202 176.412 176.600 0.023 0.000 0.890 338 E CA -0.566 55.854 56.400 0.033 0.000 0.754 338 E CB 1.135 30.861 29.700 0.043 0.000 1.207 338 E HN 0.525 nan 8.360 nan 0.000 0.426 339 N N 2.751 121.465 118.700 0.022 0.000 2.714 339 N HA -0.237 4.517 4.740 0.024 0.000 0.250 339 N C 0.407 175.923 175.510 0.010 0.000 1.117 339 N CA 2.052 55.111 53.050 0.016 0.000 0.719 339 N CB -1.119 37.376 38.487 0.013 0.000 1.081 339 N HN 0.934 nan 8.380 nan 0.000 0.557 340 G N -2.255 106.551 108.800 0.011 0.000 2.157 340 G HA2 -0.272 3.703 3.960 0.024 0.000 0.248 340 G HA3 -0.272 3.703 3.960 0.024 0.000 0.248 340 G C -0.156 174.739 174.900 -0.008 0.000 0.979 340 G CA 0.446 45.548 45.100 0.003 0.000 0.650 340 G HN 0.453 nan 8.290 nan 0.000 0.529 341 L N 0.062 121.280 121.223 -0.008 0.000 2.365 341 L HA 0.667 5.022 4.340 0.024 0.000 0.273 341 L C 0.110 176.968 176.870 -0.020 0.000 1.000 341 L CA -1.327 53.500 54.840 -0.022 0.000 0.819 341 L CB 1.903 43.948 42.059 -0.023 0.000 1.284 341 L HN 0.082 nan 8.230 nan 0.000 0.418 342 L N 4.693 125.892 121.223 -0.040 0.000 2.369 342 L HA 0.378 4.732 4.340 0.024 0.000 0.279 342 L C -0.758 176.085 176.870 -0.046 0.000 1.108 342 L CA 0.554 55.369 54.840 -0.040 0.000 0.852 342 L CB 0.086 42.107 42.059 -0.063 0.000 1.169 342 L HN 0.393 nan 8.230 nan 0.000 0.452 343 L N 5.939 127.151 121.223 -0.019 0.000 2.334 343 L HA 0.555 4.909 4.340 0.024 0.000 0.273 343 L C -0.779 176.085 176.870 -0.011 0.000 1.013 343 L CA -0.841 53.992 54.840 -0.011 0.000 0.816 343 L CB 1.963 44.039 42.059 0.029 0.000 1.278 343 L HN 0.536 nan 8.230 nan 0.000 0.431 344 L N 3.386 124.608 121.223 -0.001 0.000 2.376 344 L HA 0.475 4.830 4.340 0.024 0.000 0.275 344 L C -0.288 176.576 176.870 -0.010 0.000 0.987 344 L CA -0.125 54.722 54.840 0.011 0.000 0.828 344 L CB 0.983 43.059 42.059 0.027 0.000 1.249 344 L HN 0.619 nan 8.230 nan 0.000 0.409 345 N N 3.957 122.484 118.700 -0.288 0.000 2.721 345 N HA -0.216 4.538 4.740 0.024 0.000 0.249 345 N C 0.886 175.952 175.510 -0.739 0.000 1.072 345 N CA 1.371 53.860 53.050 -0.935 0.000 0.710 345 N CB -1.283 36.659 38.487 -0.909 0.000 0.993 345 N HN 1.159 nan 8.380 nan 0.000 0.547 346 G N -2.054 106.627 108.800 -0.199 0.000 2.179 346 G HA2 -0.351 3.624 3.960 0.024 0.000 0.260 346 G HA3 -0.351 3.624 3.960 0.024 0.000 0.260 346 G C -0.104 174.821 174.900 0.040 0.000 0.977 346 G CA 0.879 46.023 45.100 0.073 0.000 0.641 346 G HN 0.411 nan 8.290 nan 0.000 0.533 347 K N 0.838 121.247 120.400 0.015 0.000 2.207 347 K HA 0.529 4.863 4.320 0.024 0.000 0.255 347 K C -2.777 173.787 176.600 -0.060 0.000 0.941 347 K CA -2.287 53.973 56.287 -0.045 0.000 0.825 347 K CB 2.501 34.893 32.500 -0.180 0.000 1.119 347 K HN 0.082 nan 8.250 nan 0.000 0.430 348 P HA 0.178 nan 4.420 nan 0.000 0.276 348 P C -0.124 177.107 177.300 -0.114 0.000 1.253 348 P CA -0.205 62.845 63.100 -0.083 0.000 0.766 348 P CB 0.534 32.189 31.700 -0.075 0.000 0.845 349 L N 3.414 124.565 121.223 -0.121 0.000 2.453 349 L HA 0.278 4.633 4.340 0.024 0.000 0.261 349 L C 0.713 177.503 176.870 -0.134 0.000 1.179 349 L CA -0.643 54.117 54.840 -0.135 0.000 0.813 349 L CB 0.332 42.268 42.059 -0.205 0.000 1.110 349 L HN 0.279 nan 8.230 nan 0.000 0.466 350 L N 3.567 124.732 121.223 -0.096 0.000 2.388 350 L HA 0.424 4.778 4.340 0.024 0.000 0.267 350 L C -0.551 176.284 176.870 -0.059 0.000 0.995 350 L CA -0.164 54.608 54.840 -0.114 0.000 0.864 350 L CB 0.821 42.843 42.059 -0.062 0.000 1.216 350 L HN 0.246 nan 8.230 nan 0.000 0.430 351 I N 4.990 125.460 120.570 -0.167 0.000 2.379 351 I HA 0.221 4.406 4.170 0.024 0.000 0.290 351 I C 0.499 176.604 176.117 -0.020 0.000 1.063 351 I CA 0.118 61.338 61.300 -0.132 0.000 1.351 351 I CB 0.595 38.383 38.000 -0.352 0.000 1.410 351 I HN 0.577 nan 8.210 nan 0.000 0.505 352 R N 4.809 125.378 120.500 0.116 0.000 2.937 352 R HA 0.450 4.805 4.340 0.024 0.000 0.264 352 R C 0.445 176.891 176.300 0.243 0.000 1.334 352 R CA -0.285 55.926 56.100 0.185 0.000 1.516 352 R CB 0.975 31.194 30.300 -0.135 0.000 1.187 352 R HN 0.779 nan 8.270 nan 0.000 0.609 353 G N 0.128 109.040 108.800 0.186 0.000 2.597 353 G HA2 0.611 4.586 3.960 0.024 0.000 0.317 353 G HA3 0.611 4.586 3.960 0.024 0.000 0.317 353 G C -1.310 173.878 174.900 0.481 0.000 1.230 353 G CA -0.477 44.717 45.100 0.156 0.000 0.996 353 G HN 0.223 nan 8.290 nan 0.000 0.490 354 V N -0.119 120.042 119.914 0.411 0.000 3.012 354 V HA 0.455 4.589 4.120 0.024 0.000 0.307 354 V C -1.190 175.028 176.094 0.207 0.000 1.166 354 V CA -1.205 61.230 62.300 0.225 0.000 0.974 354 V CB 2.219 33.892 31.823 -0.250 0.000 1.040 354 V HN 0.765 nan 8.190 nan 0.000 0.428 355 N N 4.253 122.992 118.700 0.065 0.000 2.514 355 N HA 0.422 5.176 4.740 0.024 0.000 0.277 355 N C -0.698 174.604 175.510 -0.346 0.000 1.126 355 N CA -0.262 52.679 53.050 -0.181 0.000 0.978 355 N CB 1.409 39.712 38.487 -0.306 0.000 1.106 355 N HN 0.626 nan 8.380 nan 0.000 0.461 356 R N 2.264 122.534 120.500 -0.383 0.000 2.500 356 R HA 0.205 4.559 4.340 0.024 0.000 0.299 356 R C -0.887 175.169 176.300 -0.407 0.000 1.038 356 R CA -0.549 55.352 56.100 -0.332 0.000 0.903 356 R CB 0.708 30.801 30.300 -0.345 0.000 1.177 356 R HN 0.592 nan 8.270 nan 0.000 0.455 357 H N 2.106 121.027 119.070 -0.248 0.000 2.546 357 H HA 0.123 4.693 4.556 0.024 0.000 0.365 357 H C -0.467 174.858 175.328 -0.005 0.000 1.220 357 H CA 0.141 56.135 56.048 -0.090 0.000 1.386 357 H CB 1.359 31.139 29.762 0.031 0.000 1.510 357 H HN 0.557 nan 8.280 nan 0.000 0.591 358 E N 1.675 122.057 120.200 0.304 0.000 2.001 358 E HA 0.116 4.481 4.350 0.024 0.000 0.279 358 E C -0.769 175.989 176.600 0.264 0.000 1.045 358 E CA -0.066 56.443 56.400 0.182 0.000 0.833 358 E CB 0.369 30.189 29.700 0.200 0.000 1.077 358 E HN 0.376 nan 8.360 nan 0.000 0.397 359 H N 1.747 120.885 119.070 0.114 0.000 2.865 359 H HA 0.262 4.833 4.556 0.024 0.000 0.362 359 H C -1.698 173.701 175.328 0.118 0.000 1.114 359 H CA -0.665 55.450 56.048 0.112 0.000 1.208 359 H CB 1.069 30.885 29.762 0.091 0.000 1.727 359 H HN 0.408 nan 8.280 nan 0.000 0.534 360 H N 6.001 124.662 119.070 -0.682 0.000 2.667 360 H HA 0.239 4.809 4.556 0.024 0.000 0.353 360 H C -2.323 172.618 175.328 -0.644 0.000 1.072 360 H CA -2.489 53.294 56.048 -0.442 0.000 1.214 360 H CB 2.759 32.443 29.762 -0.130 0.000 1.600 360 H HN 0.532 nan 8.280 nan 0.000 0.527 361 P HA -0.049 nan 4.420 nan 0.000 0.223 361 P C 1.092 178.303 177.300 -0.149 0.000 1.151 361 P CA 0.674 63.628 63.100 -0.244 0.000 0.787 361 P CB 0.925 32.515 31.700 -0.183 0.000 0.788 362 L N -1.829 119.422 121.223 0.046 0.000 2.362 362 L HA 0.137 4.491 4.340 0.024 0.000 0.204 362 L C 2.077 178.692 176.870 -0.425 0.000 1.060 362 L CA 0.764 55.470 54.840 -0.223 0.000 0.827 362 L CB -0.676 41.142 42.059 -0.402 0.000 1.027 362 L HN -0.054 nan 8.230 nan 0.000 0.474 363 H N -0.619 118.432 119.070 -0.030 0.000 2.551 363 H HA 0.315 4.885 4.556 0.024 0.000 0.271 363 H C 1.396 176.620 175.328 -0.173 0.000 0.984 363 H CA 0.335 56.262 56.048 -0.202 0.000 1.164 363 H CB 0.328 29.862 29.762 -0.380 0.000 1.437 363 H HN 0.355 nan 8.280 nan 0.000 0.550 364 G N 1.347 110.064 108.800 -0.138 0.000 2.595 364 G HA2 -0.401 3.573 3.960 0.024 0.000 0.297 364 G HA3 -0.401 3.573 3.960 0.024 0.000 0.297 364 G C 0.792 175.619 174.900 -0.121 0.000 1.181 364 G CA 0.462 45.437 45.100 -0.208 0.000 0.963 364 G HN 0.469 nan 8.290 nan 0.000 0.541 365 Q N -0.090 119.664 119.800 -0.078 0.000 2.198 365 Q HA 0.488 4.842 4.340 0.024 0.000 0.209 365 Q C 0.308 176.407 176.000 0.163 0.000 0.848 365 Q CA -0.151 55.653 55.803 0.001 0.000 0.974 365 Q CB 1.438 30.070 28.738 -0.175 0.000 1.115 365 Q HN 0.345 nan 8.270 nan 0.000 0.494 366 V N 2.109 122.094 119.914 0.119 0.000 2.530 366 V HA 0.182 4.317 4.120 0.024 0.000 0.282 366 V C 0.162 176.300 176.094 0.074 0.000 1.048 366 V CA 0.178 62.553 62.300 0.124 0.000 0.997 366 V CB 1.073 32.905 31.823 0.015 0.000 0.987 366 V HN 0.320 nan 8.190 nan 0.000 0.477 367 M N 5.325 124.973 119.600 0.080 0.000 2.472 367 M HA 0.522 5.017 4.480 0.024 0.000 0.331 367 M C -0.529 175.729 176.300 -0.070 0.000 1.170 367 M CA -0.486 54.822 55.300 0.014 0.000 1.009 367 M CB 1.892 34.485 32.600 -0.013 0.000 1.672 367 M HN 0.804 nan 8.290 nan 0.000 0.453 368 D N 0.140 120.500 120.400 -0.067 0.000 2.547 368 D HA 0.210 4.865 4.640 0.024 0.000 0.231 368 D C 0.107 176.379 176.300 -0.048 0.000 1.099 368 D CA -0.448 53.507 54.000 -0.075 0.000 0.901 368 D CB 1.924 42.692 40.800 -0.053 0.000 1.478 368 D HN 0.727 nan 8.370 nan 0.000 0.471 369 E N -0.044 120.135 120.200 -0.034 0.000 2.118 369 E HA -0.292 4.072 4.350 0.024 0.000 0.195 369 E C 1.472 178.108 176.600 0.061 0.000 0.992 369 E CA 1.591 58.002 56.400 0.018 0.000 0.804 369 E CB 0.196 29.919 29.700 0.039 0.000 0.741 369 E HN 0.290 nan 8.360 nan 0.000 0.458 370 Q N -0.056 119.781 119.800 0.061 0.000 2.061 370 Q HA -0.116 4.239 4.340 0.024 0.000 0.204 370 Q C 2.165 178.224 176.000 0.099 0.000 0.984 370 Q CA 2.190 58.041 55.803 0.081 0.000 0.846 370 Q CB -0.657 28.128 28.738 0.079 0.000 0.902 370 Q HN 0.267 nan 8.270 nan 0.000 0.421 371 T N 0.162 114.783 114.554 0.112 0.000 2.777 371 T HA -0.096 4.268 4.350 0.024 0.000 0.266 371 T C 1.763 176.544 174.700 0.135 0.000 1.040 371 T CA 1.319 63.502 62.100 0.139 0.000 1.141 371 T CB -0.149 68.826 68.868 0.178 0.000 0.868 371 T HN 0.242 nan 8.240 nan 0.000 0.444 372 M N 0.470 120.149 119.600 0.132 0.000 2.117 372 M HA -0.089 4.405 4.480 0.024 0.000 0.262 372 M C 2.436 178.849 176.300 0.188 0.000 1.065 372 M CA 1.278 56.724 55.300 0.242 0.000 1.114 372 M CB -0.552 32.223 32.600 0.293 0.000 1.361 372 M HN 0.101 nan 8.290 nan 0.000 0.408 373 V N 0.270 120.238 119.914 0.090 0.000 2.295 373 V HA -0.311 3.823 4.120 0.024 0.000 0.246 373 V C 2.324 178.403 176.094 -0.026 0.000 1.049 373 V CA 2.111 64.398 62.300 -0.021 0.000 1.024 373 V CB -0.932 30.915 31.823 0.039 0.000 0.648 373 V HN 0.563 nan 8.190 nan 0.000 0.447 374 Q N -0.311 119.525 119.800 0.060 0.000 2.096 374 Q HA -0.283 4.072 4.340 0.024 0.000 0.204 374 Q C 1.978 178.050 176.000 0.121 0.000 0.982 374 Q CA 2.216 58.073 55.803 0.091 0.000 0.850 374 Q CB -0.135 28.674 28.738 0.119 0.000 0.901 374 Q HN 0.636 nan 8.270 nan 0.000 0.422 375 D N 0.252 120.737 120.400 0.142 0.000 2.097 375 D HA -0.129 4.525 4.640 0.024 0.000 0.197 375 D C 1.940 178.196 176.300 -0.074 0.000 0.984 375 D CA 1.099 55.185 54.000 0.144 0.000 0.826 375 D CB -0.225 40.640 40.800 0.109 0.000 0.973 375 D HN 0.341 nan 8.370 nan 0.000 0.460 376 I N 0.711 121.225 120.570 -0.093 0.000 2.208 376 I HA -0.249 3.936 4.170 0.024 0.000 0.245 376 I C 2.437 178.414 176.117 -0.233 0.000 1.097 376 I CA 0.676 61.818 61.300 -0.264 0.000 1.363 376 I CB -0.132 37.587 38.000 -0.467 0.000 1.051 376 I HN 0.009 nan 8.210 nan 0.000 0.413 377 L N 0.025 121.146 121.223 -0.171 0.000 2.017 377 L HA -0.243 4.111 4.340 0.024 0.000 0.208 377 L C 2.572 179.508 176.870 0.110 0.000 1.073 377 L CA 1.453 56.281 54.840 -0.020 0.000 0.745 377 L CB -0.549 41.523 42.059 0.020 0.000 0.894 377 L HN 0.284 nan 8.230 nan 0.000 0.432 378 L N -1.005 120.311 121.223 0.154 0.000 2.083 378 L HA -0.259 4.096 4.340 0.024 0.000 0.209 378 L C 2.695 179.733 176.870 0.280 0.000 1.083 378 L CA 1.313 56.333 54.840 0.300 0.000 0.752 378 L CB -0.261 42.106 42.059 0.515 0.000 0.899 378 L HN 0.301 nan 8.230 nan 0.000 0.433 379 M N -0.656 118.929 119.600 -0.025 0.000 2.065 379 M HA -0.270 4.224 4.480 0.024 0.000 0.259 379 M C 2.313 178.710 176.300 0.162 0.000 1.071 379 M CA 1.918 57.135 55.300 -0.138 0.000 1.109 379 M CB -0.386 31.915 32.600 -0.498 0.000 1.313 379 M HN 0.079 nan 8.290 nan 0.000 0.408 380 K N 0.043 120.433 120.400 -0.016 0.000 2.063 380 K HA -0.211 4.123 4.320 0.024 0.000 0.208 380 K C 1.943 178.544 176.600 0.002 0.000 1.048 380 K CA 1.532 57.698 56.287 -0.201 0.000 0.928 380 K CB -0.328 31.860 32.500 -0.520 0.000 0.713 380 K HN 0.491 nan 8.250 nan 0.000 0.442 381 Q N 0.318 120.303 119.800 0.309 0.000 2.291 381 Q HA -0.061 4.293 4.340 0.024 0.000 0.206 381 Q C 0.874 177.194 176.000 0.532 0.000 0.976 381 Q CA 0.749 56.851 55.803 0.498 0.000 0.875 381 Q CB 0.057 29.046 28.738 0.419 0.000 0.927 381 Q HN 0.303 nan 8.270 nan 0.000 0.450 382 N N 0.518 119.471 118.700 0.422 0.000 2.273 382 N HA 0.049 4.803 4.740 0.024 0.000 0.231 382 N C -0.578 175.021 175.510 0.148 0.000 1.134 382 N CA 0.016 53.298 53.050 0.387 0.000 0.856 382 N CB 0.695 39.497 38.487 0.525 0.000 1.068 382 N HN 0.147 nan 8.380 nan 0.000 0.510 383 N N 0.224 119.031 118.700 0.178 0.000 2.776 383 N HA -0.183 4.571 4.740 0.024 0.000 0.250 383 N C -0.876 174.545 175.510 -0.148 0.000 1.112 383 N CA 0.770 53.874 53.050 0.091 0.000 0.733 383 N CB -1.761 36.684 38.487 -0.070 0.000 1.097 383 N HN 0.262 nan 8.380 nan 0.000 0.558 384 F N 0.963 120.935 119.950 0.037 0.000 2.375 384 F HA 0.307 4.848 4.527 0.023 0.000 0.333 384 F C 1.750 177.549 175.800 -0.001 0.000 1.104 384 F CA -0.534 57.469 58.000 0.005 0.000 1.149 384 F CB 0.865 39.839 39.000 -0.044 0.000 1.190 384 F HN 0.052 nan 8.300 nan 0.000 0.533 385 N N 0.696 119.518 118.700 0.203 0.000 2.160 385 N HA 0.438 5.192 4.740 0.024 0.000 0.226 385 N C -0.866 174.703 175.510 0.098 0.000 1.256 385 N CA -0.032 53.068 53.050 0.082 0.000 0.890 385 N CB 0.775 39.350 38.487 0.146 0.000 1.116 385 N HN 0.472 nan 8.380 nan 0.000 0.517 386 A N -0.559 122.387 122.820 0.209 0.000 2.606 386 A HA 0.757 5.091 4.320 0.024 0.000 0.293 386 A C -1.801 175.994 177.584 0.353 0.000 1.082 386 A CA -0.708 51.510 52.037 0.303 0.000 0.685 386 A CB 1.794 20.993 19.000 0.331 0.000 1.284 386 A HN 0.226 nan 8.150 nan 0.000 0.408 387 V N 1.086 121.259 119.914 0.433 0.000 2.888 387 V HA 0.795 4.930 4.120 0.024 0.000 0.309 387 V C -0.611 175.633 176.094 0.251 0.000 1.114 387 V CA -0.678 61.832 62.300 0.351 0.000 0.940 387 V CB 1.856 33.814 31.823 0.224 0.000 1.021 387 V HN 1.142 nan 8.190 nan 0.000 0.426 388 R N 4.974 125.471 120.500 -0.006 0.000 2.393 388 R HA 0.495 4.850 4.340 0.024 0.000 0.310 388 R C -0.771 175.391 176.300 -0.230 0.000 0.968 388 R CA -0.454 55.441 56.100 -0.342 0.000 0.867 388 R CB 1.193 31.055 30.300 -0.729 0.000 1.124 388 R HN 0.790 nan 8.270 nan 0.000 0.450 389 C N 4.476 123.668 119.300 -0.179 0.000 2.896 389 C HA 0.132 4.606 4.460 0.024 0.000 0.499 389 C C 0.454 175.166 174.990 -0.463 0.000 1.022 389 C CA -0.456 58.407 59.018 -0.259 0.000 1.127 389 C CB -2.003 25.701 27.740 -0.059 0.000 1.452 389 C HN 0.737 nan 8.230 nan 0.000 0.580 390 S N 1.570 116.863 115.700 -0.678 0.000 2.465 390 S HA 0.169 4.653 4.470 0.024 0.000 0.280 390 S C -0.162 173.541 174.600 -1.496 0.000 1.232 390 S CA 0.184 57.703 58.200 -1.135 0.000 1.066 390 S CB 0.097 62.570 63.200 -1.211 0.000 0.929 390 S HN 0.730 nan 8.310 nan 0.000 0.494 391 H N 3.779 122.256 119.070 -0.988 0.000 2.439 391 H HA 0.329 4.899 4.556 0.024 0.000 0.228 391 H C -1.177 174.029 175.328 -0.203 0.000 1.423 391 H CA -0.354 55.486 56.048 -0.345 0.000 1.386 391 H CB -0.077 29.678 29.762 -0.011 0.000 1.641 391 H HN 0.891 nan 8.280 nan 0.000 0.508 392 Y N -2.593 117.815 120.300 0.180 0.000 2.765 392 Y HA 0.366 4.931 4.550 0.024 0.000 0.350 392 Y C -3.363 172.646 175.900 0.182 0.000 1.196 392 Y CA -2.970 55.243 58.100 0.188 0.000 1.119 392 Y CB -0.008 38.568 38.460 0.194 0.000 1.368 392 Y HN -0.049 nan 8.280 nan 0.000 0.463 393 P HA 0.183 nan 4.420 nan 0.000 0.271 393 P C -0.626 176.963 177.300 0.482 0.000 1.216 393 P CA 0.097 63.451 63.100 0.424 0.000 0.776 393 P CB 0.578 32.458 31.700 0.300 0.000 0.881 394 N N 0.679 119.681 118.700 0.503 0.000 2.434 394 N HA 0.074 4.828 4.740 0.024 0.000 0.266 394 N C 0.173 175.925 175.510 0.404 0.000 1.223 394 N CA -0.565 52.691 53.050 0.343 0.000 0.972 394 N CB 0.333 38.809 38.487 -0.019 0.000 1.207 394 N HN 0.605 nan 8.380 nan 0.000 0.525 395 H N 2.354 121.525 119.070 0.169 0.000 3.115 395 H HA -0.022 4.548 4.556 0.024 0.000 0.324 395 H C -1.588 173.907 175.328 0.278 0.000 1.007 395 H CA -0.697 55.439 56.048 0.147 0.000 1.385 395 H CB 0.943 30.757 29.762 0.086 0.000 1.351 395 H HN 0.449 nan 8.280 nan 0.000 0.592 396 P HA -0.211 nan 4.420 nan 0.000 0.217 396 P C 1.847 179.476 177.300 0.549 0.000 1.148 396 P CA 0.824 64.188 63.100 0.439 0.000 0.828 396 P CB 0.192 31.997 31.700 0.175 0.000 0.783 397 L N -1.203 120.437 121.223 0.694 0.000 2.201 397 L HA -0.040 4.315 4.340 0.024 0.000 0.212 397 L C 2.433 179.461 176.870 0.264 0.000 1.105 397 L CA 1.343 56.413 54.840 0.383 0.000 0.775 397 L CB -1.235 40.968 42.059 0.240 0.000 0.913 397 L HN 0.006 nan 8.230 nan 0.000 0.440 398 W N -0.431 120.891 121.300 0.038 0.000 2.318 398 W HA -0.350 4.324 4.660 0.023 0.000 0.313 398 W C 2.051 178.408 176.519 -0.270 0.000 1.221 398 W CA 2.028 59.258 57.345 -0.190 0.000 1.266 398 W CB -0.403 28.842 29.460 -0.358 0.000 1.150 398 W HN 0.265 nan 8.180 nan 0.000 0.496 399 Y N 0.647 120.874 120.300 -0.122 0.000 2.181 399 Y HA -0.226 4.338 4.550 0.024 0.000 0.288 399 Y C 2.879 178.540 175.900 -0.399 0.000 1.146 399 Y CA 2.207 60.019 58.100 -0.481 0.000 1.164 399 Y CB -1.240 36.627 38.460 -0.990 0.000 0.982 399 Y HN -0.217 nan 8.280 nan 0.000 0.515 400 T N 0.633 115.179 114.554 -0.013 0.000 2.746 400 T HA -0.161 4.204 4.350 0.024 0.000 0.267 400 T C 1.967 176.695 174.700 0.047 0.000 1.039 400 T CA 1.365 63.542 62.100 0.129 0.000 1.142 400 T CB -0.505 68.511 68.868 0.247 0.000 0.866 400 T HN 0.236 nan 8.240 nan 0.000 0.444 401 L N 0.235 121.437 121.223 -0.035 0.000 2.093 401 L HA -0.082 4.272 4.340 0.024 0.000 0.208 401 L C 2.843 179.679 176.870 -0.057 0.000 1.085 401 L CA 0.857 55.697 54.840 -0.001 0.000 0.755 401 L CB -0.680 41.347 42.059 -0.053 0.000 0.904 401 L HN 0.369 nan 8.230 nan 0.000 0.435 402 C N -0.193 118.911 119.300 -0.328 0.000 2.440 402 C HA -0.133 4.341 4.460 0.024 0.000 0.278 402 C C 2.398 177.427 174.990 0.064 0.000 1.295 402 C CA 0.374 59.243 59.018 -0.249 0.000 1.738 402 C CB -0.775 26.705 27.740 -0.432 0.000 1.987 402 C HN 0.536 nan 8.230 nan 0.000 0.492 403 D N 0.464 120.907 120.400 0.072 0.000 2.117 403 D HA -0.094 4.561 4.640 0.024 0.000 0.197 403 D C 2.397 178.895 176.300 0.330 0.000 0.987 403 D CA 1.200 55.319 54.000 0.198 0.000 0.829 403 D CB -0.316 40.562 40.800 0.131 0.000 0.961 403 D HN 0.530 nan 8.370 nan 0.000 0.460 404 R N -1.138 119.451 120.500 0.147 0.000 2.112 404 R HA 0.048 4.402 4.340 0.024 0.000 0.216 404 R C 1.980 178.232 176.300 -0.080 0.000 1.080 404 R CA 0.424 56.542 56.100 0.031 0.000 0.996 404 R CB -0.062 30.183 30.300 -0.092 0.000 0.902 404 R HN 0.257 nan 8.270 nan 0.000 0.449 405 Y N -0.100 120.207 120.300 0.013 0.000 2.490 405 Y HA 0.191 4.755 4.550 0.024 0.000 0.285 405 Y C 0.922 176.757 175.900 -0.109 0.000 1.117 405 Y CA 0.736 58.819 58.100 -0.028 0.000 1.262 405 Y CB 0.820 39.234 38.460 -0.076 0.000 1.043 405 Y HN 0.212 nan 8.280 nan 0.000 0.553 406 G N 1.214 110.048 108.800 0.057 0.000 2.780 406 G HA2 -0.139 3.835 3.960 0.024 0.000 0.364 406 G HA3 -0.139 3.835 3.960 0.024 0.000 0.364 406 G C -1.198 173.558 174.900 -0.239 0.000 1.045 406 G CA -0.586 44.426 45.100 -0.147 0.000 1.202 406 G HN 0.157 nan 8.290 nan 0.000 0.534 407 L N 1.060 122.212 121.223 -0.119 0.000 2.455 407 L HA 0.504 4.858 4.340 0.024 0.000 0.264 407 L C -0.107 176.773 176.870 0.017 0.000 0.968 407 L CA -1.269 53.468 54.840 -0.173 0.000 0.827 407 L CB 2.046 44.024 42.059 -0.135 0.000 1.317 407 L HN 0.464 nan 8.230 nan 0.000 0.407 408 Y N 1.840 122.269 120.300 0.215 0.000 2.335 408 Y HA 0.427 4.993 4.550 0.026 0.000 0.331 408 Y C 0.167 176.200 175.900 0.221 0.000 1.094 408 Y CA -0.755 57.507 58.100 0.269 0.000 1.253 408 Y CB 1.420 40.018 38.460 0.230 0.000 1.203 408 Y HN 0.153 nan 8.280 nan 0.000 0.508 409 V N 4.310 124.419 119.914 0.325 0.000 2.604 409 V HA 0.326 4.460 4.120 0.024 0.000 0.305 409 V C -0.577 175.605 176.094 0.146 0.000 1.043 409 V CA -1.019 61.414 62.300 0.221 0.000 0.888 409 V CB 1.938 33.854 31.823 0.156 0.000 0.995 409 V HN 0.456 nan 8.190 nan 0.000 0.429 410 V N 3.168 123.136 119.914 0.089 0.000 2.333 410 V HA 0.333 4.468 4.120 0.024 0.000 0.274 410 V C -0.332 175.801 176.094 0.065 0.000 1.028 410 V CA -0.348 61.953 62.300 0.002 0.000 0.851 410 V CB 1.432 33.147 31.823 -0.181 0.000 1.000 410 V HN 0.875 nan 8.190 nan 0.000 0.456 411 D N 4.214 124.694 120.400 0.133 0.000 2.249 411 D HA 0.333 4.987 4.640 0.024 0.000 0.246 411 D C -0.258 176.240 176.300 0.331 0.000 1.114 411 D CA -0.086 54.091 54.000 0.294 0.000 0.854 411 D CB 1.318 42.333 40.800 0.358 0.000 1.132 411 D HN 0.692 nan 8.370 nan 0.000 0.461 412 E N 1.977 122.336 120.200 0.266 0.000 2.224 412 E HA 0.611 4.975 4.350 0.024 0.000 0.265 412 E C -1.048 175.694 176.600 0.236 0.000 0.878 412 E CA -1.041 55.498 56.400 0.232 0.000 0.759 412 E CB 1.327 31.119 29.700 0.153 0.000 1.164 412 E HN 0.454 nan 8.360 nan 0.000 0.414 413 A N 3.933 126.884 122.820 0.218 0.000 2.483 413 A HA 0.039 4.373 4.320 0.024 0.000 0.238 413 A C 0.353 178.062 177.584 0.209 0.000 1.070 413 A CA -0.168 51.976 52.037 0.179 0.000 0.770 413 A CB 0.106 19.175 19.000 0.116 0.000 1.008 413 A HN 0.712 nan 8.150 nan 0.000 0.497 414 N N 1.408 120.241 118.700 0.221 0.000 2.971 414 N HA 0.239 4.993 4.740 0.024 0.000 0.294 414 N C -0.989 174.652 175.510 0.219 0.000 1.210 414 N CA 0.271 53.485 53.050 0.274 0.000 1.157 414 N CB -0.833 37.815 38.487 0.270 0.000 1.450 414 N HN 0.478 nan 8.380 nan 0.000 0.527 415 I N 0.980 121.672 120.570 0.204 0.000 2.500 415 I HA 0.273 4.457 4.170 0.024 0.000 0.286 415 I C -0.636 175.584 176.117 0.173 0.000 1.063 415 I CA -0.629 60.774 61.300 0.171 0.000 1.062 415 I CB 1.816 39.891 38.000 0.125 0.000 1.223 415 I HN 0.256 nan 8.210 nan 0.000 0.435 416 E N 4.313 124.611 120.200 0.163 0.000 2.287 416 E HA 0.335 4.700 4.350 0.024 0.000 0.274 416 E C -0.646 176.020 176.600 0.110 0.000 0.896 416 E CA -0.452 56.016 56.400 0.113 0.000 0.788 416 E CB 1.613 31.361 29.700 0.079 0.000 1.244 416 E HN 0.605 nan 8.360 nan 0.000 0.408 417 T N 0.682 115.291 114.554 0.093 0.000 3.448 417 T HA 0.165 4.530 4.350 0.024 0.000 0.271 417 T C 0.872 175.616 174.700 0.075 0.000 1.002 417 T CA -0.320 61.862 62.100 0.138 0.000 0.995 417 T CB -0.270 68.665 68.868 0.111 0.000 1.153 417 T HN 0.662 nan 8.240 nan 0.000 0.510 418 H N 1.175 120.151 119.070 -0.157 0.000 2.357 418 H HA -0.072 4.499 4.556 0.025 0.000 0.296 418 H C 2.335 177.535 175.328 -0.214 0.000 1.108 418 H CA 1.378 57.307 56.048 -0.198 0.000 1.273 418 H CB -0.206 29.400 29.762 -0.260 0.000 1.367 418 H HN 0.590 nan 8.280 nan 0.000 0.498 419 G N 0.241 108.888 108.800 -0.255 0.000 2.625 419 G HA2 -0.087 3.887 3.960 0.024 0.000 0.214 419 G HA3 -0.087 3.887 3.960 0.024 0.000 0.214 419 G C 0.522 175.544 174.900 0.205 0.000 1.132 419 G CA -0.038 44.945 45.100 -0.195 0.000 0.782 419 G HN 0.155 nan 8.290 nan 0.000 0.538 420 M N 0.241 120.005 119.600 0.274 0.000 2.198 420 M HA 0.337 4.832 4.480 0.024 0.000 0.315 420 M C -0.368 175.970 176.300 0.064 0.000 1.134 420 M CA -0.361 55.044 55.300 0.175 0.000 1.171 420 M CB 1.398 34.053 32.600 0.091 0.000 1.413 420 M HN -0.207 nan 8.290 nan 0.000 0.467 421 V N 3.789 123.718 119.914 0.024 0.000 2.447 421 V HA 0.376 4.510 4.120 0.024 0.000 0.292 421 V C -1.987 174.099 176.094 -0.013 0.000 1.021 421 V CA -1.241 61.059 62.300 -0.001 0.000 0.850 421 V CB 1.734 33.551 31.823 -0.009 0.000 1.005 421 V HN 0.737 nan 8.190 nan 0.000 0.426 422 P HA 0.317 nan 4.420 nan 0.000 0.279 422 P C 1.020 178.322 177.300 0.002 0.000 1.282 422 P CA -0.629 62.466 63.100 -0.007 0.000 0.788 422 P CB 1.099 32.795 31.700 -0.006 0.000 1.139 423 M N 0.601 120.206 119.600 0.009 0.000 2.202 423 M HA -0.182 4.312 4.480 0.024 0.000 0.262 423 M C 1.189 177.510 176.300 0.034 0.000 1.063 423 M CA 1.923 57.237 55.300 0.023 0.000 1.097 423 M CB -0.470 32.131 32.600 0.002 0.000 1.382 423 M HN 0.382 nan 8.290 nan 0.000 0.413 424 N N -0.175 118.546 118.700 0.034 0.000 2.314 424 N HA -0.072 4.682 4.740 0.024 0.000 0.200 424 N C 1.147 176.641 175.510 -0.028 0.000 1.135 424 N CA 0.172 53.244 53.050 0.037 0.000 0.835 424 N CB -0.734 37.791 38.487 0.065 0.000 0.989 424 N HN 0.348 nan 8.380 nan 0.000 0.478 425 R N 0.522 120.993 120.500 -0.049 0.000 2.113 425 R HA -0.083 4.271 4.340 0.024 0.000 0.244 425 R C 1.431 177.638 176.300 -0.155 0.000 1.142 425 R CA 1.662 57.709 56.100 -0.088 0.000 0.953 425 R CB -0.115 30.128 30.300 -0.094 0.000 0.860 425 R HN 0.311 nan 8.270 nan 0.000 0.438 426 L N -0.786 120.288 121.223 -0.249 0.000 2.202 426 L HA -0.009 4.345 4.340 0.024 0.000 0.205 426 L C 2.513 179.267 176.870 -0.192 0.000 1.083 426 L CA 1.311 55.898 54.840 -0.421 0.000 0.790 426 L CB -0.525 41.038 42.059 -0.826 0.000 0.942 426 L HN 0.373 nan 8.230 nan 0.000 0.452 427 T N -4.347 110.120 114.554 -0.145 0.000 3.035 427 T HA -0.151 4.214 4.350 0.024 0.000 0.268 427 T C 1.271 175.882 174.700 -0.147 0.000 1.109 427 T CA 1.087 63.080 62.100 -0.178 0.000 1.119 427 T CB -0.211 68.501 68.868 -0.259 0.000 0.900 427 T HN 0.098 nan 8.240 nan 0.000 0.503 428 D N 1.181 121.531 120.400 -0.084 0.000 2.340 428 D HA 0.110 4.765 4.640 0.024 0.000 0.217 428 D C -0.313 175.970 176.300 -0.029 0.000 1.081 428 D CA -0.215 53.745 54.000 -0.066 0.000 0.842 428 D CB -0.103 40.668 40.800 -0.048 0.000 0.934 428 D HN 0.316 nan 8.370 nan 0.000 0.511 429 D N -0.154 120.248 120.400 0.003 0.000 2.280 429 D HA 0.130 4.785 4.640 0.024 0.000 0.236 429 D C -1.623 174.730 176.300 0.087 0.000 1.082 429 D CA -2.220 51.819 54.000 0.066 0.000 0.834 429 D CB 2.096 42.981 40.800 0.143 0.000 1.100 429 D HN -0.039 nan 8.370 nan 0.000 0.486 430 P HA -0.128 nan 4.420 nan 0.000 0.219 430 P C 0.949 178.243 177.300 -0.010 0.000 1.146 430 P CA 0.810 63.915 63.100 0.008 0.000 0.808 430 P CB 0.319 32.013 31.700 -0.009 0.000 0.779 431 R N -1.710 118.790 120.500 -0.000 0.000 2.241 431 R HA -0.086 4.268 4.340 0.024 0.000 0.224 431 R C 1.549 177.685 176.300 -0.274 0.000 1.101 431 R CA 1.132 57.159 56.100 -0.121 0.000 0.995 431 R CB -0.596 29.623 30.300 -0.135 0.000 0.870 431 R HN 0.328 nan 8.270 nan 0.000 0.463 432 W N -0.113 121.133 121.300 -0.090 0.000 3.220 432 W HA 0.153 4.827 4.660 0.023 0.000 0.328 432 W C 1.476 177.936 176.519 -0.097 0.000 1.205 432 W CA -0.554 56.737 57.345 -0.090 0.000 1.773 432 W CB 0.044 29.449 29.460 -0.092 0.000 1.086 432 W HN 0.004 nan 8.180 nan 0.000 0.622 433 L N 2.202 123.434 121.223 0.015 0.000 2.012 433 L HA -0.056 4.298 4.340 0.024 0.000 0.210 433 L C -0.678 176.148 176.870 -0.073 0.000 1.073 433 L CA 2.325 57.144 54.840 -0.034 0.000 0.748 433 L CB -1.679 40.352 42.059 -0.046 0.000 0.891 433 L HN -0.236 nan 8.230 nan 0.000 0.431 434 P HA -0.165 nan 4.420 nan 0.000 0.214 434 P C 1.625 178.861 177.300 -0.107 0.000 1.163 434 P CA 2.254 65.282 63.100 -0.120 0.000 0.883 434 P CB -0.249 31.369 31.700 -0.136 0.000 0.788 435 A N -1.134 121.631 122.820 -0.092 0.000 1.902 435 A HA -0.203 4.131 4.320 0.024 0.000 0.217 435 A C 2.247 179.840 177.584 0.015 0.000 1.181 435 A CA 2.003 54.022 52.037 -0.030 0.000 0.623 435 A CB -1.483 17.514 19.000 -0.006 0.000 0.818 435 A HN 0.107 nan 8.150 nan 0.000 0.443 436 M N 0.240 119.859 119.600 0.032 0.000 2.132 436 M HA -0.147 4.348 4.480 0.024 0.000 0.263 436 M C 2.567 178.816 176.300 -0.086 0.000 1.065 436 M CA 1.729 57.029 55.300 0.001 0.000 1.122 436 M CB -0.382 32.205 32.600 -0.022 0.000 1.365 436 M HN 0.672 nan 8.290 nan 0.000 0.411 437 S N 0.515 116.133 115.700 -0.136 0.000 2.370 437 S HA -0.202 4.282 4.470 0.024 0.000 0.226 437 S C 1.579 176.010 174.600 -0.281 0.000 1.033 437 S CA 1.578 59.630 58.200 -0.247 0.000 1.011 437 S CB -0.750 62.279 63.200 -0.285 0.000 0.852 437 S HN 0.530 nan 8.310 nan 0.000 0.457 438 E N 1.252 121.333 120.200 -0.197 0.000 2.118 438 E HA -0.153 4.212 4.350 0.024 0.000 0.195 438 E C 2.425 178.939 176.600 -0.143 0.000 0.992 438 E CA 1.185 57.479 56.400 -0.176 0.000 0.804 438 E CB -0.215 29.417 29.700 -0.113 0.000 0.741 438 E HN 0.587 nan 8.360 nan 0.000 0.458 439 R N 0.244 120.691 120.500 -0.088 0.000 2.115 439 R HA -0.079 4.276 4.340 0.024 0.000 0.230 439 R C 2.345 178.605 176.300 -0.067 0.000 1.111 439 R CA 0.822 56.901 56.100 -0.034 0.000 0.976 439 R CB -0.035 30.285 30.300 0.033 0.000 0.870 439 R HN 0.022 nan 8.270 nan 0.000 0.445 440 V N 0.183 120.014 119.914 -0.139 0.000 2.331 440 V HA -0.185 3.949 4.120 0.024 0.000 0.242 440 V C 2.502 178.421 176.094 -0.292 0.000 1.034 440 V CA 2.141 64.338 62.300 -0.171 0.000 1.027 440 V CB -0.400 31.317 31.823 -0.178 0.000 0.667 440 V HN 0.528 nan 8.190 nan 0.000 0.457 441 T N -0.616 113.642 114.554 -0.492 0.000 2.746 441 T HA -0.239 4.125 4.350 0.024 0.000 0.267 441 T C 1.937 176.463 174.700 -0.289 0.000 1.039 441 T CA 1.433 63.132 62.100 -0.668 0.000 1.142 441 T CB -0.418 67.852 68.868 -0.997 0.000 0.866 441 T HN 0.408 nan 8.240 nan 0.000 0.444 442 R N 0.257 120.618 120.500 -0.233 0.000 2.148 442 R HA 0.197 4.552 4.340 0.024 0.000 0.227 442 R C 2.640 178.860 176.300 -0.134 0.000 1.103 442 R CA 1.368 57.372 56.100 -0.160 0.000 0.983 442 R CB -0.466 29.749 30.300 -0.141 0.000 0.874 442 R HN 0.482 nan 8.270 nan 0.000 0.451 443 M N 0.530 120.059 119.600 -0.118 0.000 2.099 443 M HA -0.129 4.365 4.480 0.024 0.000 0.262 443 M C 1.851 178.074 176.300 -0.129 0.000 1.067 443 M CA 1.605 56.866 55.300 -0.064 0.000 1.124 443 M CB 0.121 32.724 32.600 0.005 0.000 1.353 443 M HN -0.015 nan 8.290 nan 0.000 0.410 444 V N 1.024 120.750 119.914 -0.313 0.000 2.407 444 V HA -0.277 3.857 4.120 0.024 0.000 0.248 444 V C 2.255 178.239 176.094 -0.183 0.000 1.055 444 V CA 1.911 63.901 62.300 -0.517 0.000 1.049 444 V CB -0.856 30.629 31.823 -0.563 0.000 0.662 444 V HN 0.591 nan 8.190 nan 0.000 0.455 445 Q N -0.686 119.043 119.800 -0.118 0.000 2.224 445 Q HA -0.200 4.155 4.340 0.024 0.000 0.203 445 Q C 2.446 178.365 176.000 -0.135 0.000 0.970 445 Q CA 1.343 57.089 55.803 -0.095 0.000 0.865 445 Q CB -0.143 28.555 28.738 -0.067 0.000 0.922 445 Q HN 0.529 nan 8.270 nan 0.000 0.445 446 R N 0.316 120.728 120.500 -0.146 0.000 2.080 446 R HA -0.080 4.275 4.340 0.024 0.000 0.222 446 R C 0.532 176.766 176.300 -0.109 0.000 1.107 446 R CA 1.211 57.201 56.100 -0.183 0.000 0.980 446 R CB 0.446 30.638 30.300 -0.180 0.000 0.879 446 R HN 0.141 nan 8.270 nan 0.000 0.439 447 D N -0.305 120.095 120.400 0.001 0.000 2.398 447 D HA -0.002 4.653 4.640 0.024 0.000 0.210 447 D C 1.259 177.679 176.300 0.200 0.000 1.094 447 D CA 0.104 54.154 54.000 0.084 0.000 0.839 447 D CB 0.292 41.085 40.800 -0.012 0.000 0.963 447 D HN 0.350 nan 8.370 nan 0.000 0.506 448 R N 0.572 121.207 120.500 0.225 0.000 2.293 448 R HA 0.024 4.379 4.340 0.024 0.000 0.219 448 R C 0.703 177.021 176.300 0.030 0.000 1.091 448 R CA 0.801 57.054 56.100 0.255 0.000 1.004 448 R CB -0.259 30.128 30.300 0.145 0.000 0.865 448 R HN -0.086 nan 8.270 nan 0.000 0.469 449 N N 0.350 118.993 118.700 -0.096 0.000 2.336 449 N HA -0.002 4.753 4.740 0.024 0.000 0.189 449 N C -0.513 174.866 175.510 -0.218 0.000 1.113 449 N CA 0.247 53.205 53.050 -0.153 0.000 0.858 449 N CB 0.095 38.476 38.487 -0.177 0.000 0.970 449 N HN 0.279 nan 8.380 nan 0.000 0.471 450 H N 1.543 120.560 119.070 -0.088 0.000 2.800 450 H HA 0.102 4.672 4.556 0.023 0.000 0.291 450 H C -1.160 174.023 175.328 -0.242 0.000 1.076 450 H CA -1.309 54.666 56.048 -0.121 0.000 1.452 450 H CB 1.529 31.251 29.762 -0.067 0.000 1.461 450 H HN 0.063 nan 8.280 nan 0.000 0.488 451 P HA -0.166 nan 4.420 nan 0.000 0.218 451 P C 1.421 178.247 177.300 -0.789 0.000 1.149 451 P CA 1.202 63.938 63.100 -0.606 0.000 0.817 451 P CB 0.296 31.406 31.700 -0.983 0.000 0.785 452 S N -0.650 114.691 115.700 -0.598 0.000 2.419 452 S HA -0.054 4.430 4.470 0.024 0.000 0.233 452 S C 1.142 175.726 174.600 -0.028 0.000 1.016 452 S CA 0.448 58.496 58.200 -0.254 0.000 0.974 452 S CB -1.549 61.644 63.200 -0.012 0.000 0.786 452 S HN -0.045 nan 8.310 nan 0.000 0.492 453 V N 3.658 123.522 119.914 -0.083 0.000 2.439 453 V HA 0.232 4.367 4.120 0.024 0.000 0.271 453 V C 1.114 177.076 176.094 -0.221 0.000 1.040 453 V CA -0.001 62.215 62.300 -0.140 0.000 1.002 453 V CB 0.370 32.013 31.823 -0.300 0.000 1.000 453 V HN 0.632 nan 8.190 nan 0.000 0.477 454 I N 2.625 123.122 120.570 -0.121 0.000 4.187 454 I HA 0.513 4.697 4.170 0.024 0.000 0.326 454 I C 0.368 176.376 176.117 -0.182 0.000 1.302 454 I CA 0.537 61.773 61.300 -0.108 0.000 1.196 454 I CB 0.477 38.495 38.000 0.030 0.000 1.095 454 I HN 0.326 nan 8.210 nan 0.000 0.411 455 I N 0.116 120.552 120.570 -0.224 0.000 2.692 455 I HA 0.352 4.537 4.170 0.024 0.000 0.293 455 I C -1.587 174.423 176.117 -0.179 0.000 1.200 455 I CA -0.387 60.821 61.300 -0.153 0.000 1.036 455 I CB 2.090 40.094 38.000 0.007 0.000 1.258 455 I HN 0.020 nan 8.210 nan 0.000 0.421 456 W N 3.848 125.200 121.300 0.086 0.000 2.512 456 W HA 0.642 5.315 4.660 0.020 0.000 0.335 456 W C 0.390 176.977 176.519 0.114 0.000 1.088 456 W CA -0.593 56.809 57.345 0.096 0.000 1.236 456 W CB 1.723 31.235 29.460 0.087 0.000 1.307 456 W HN 0.312 nan 8.180 nan 0.000 0.567 457 S N 2.414 118.353 115.700 0.397 0.000 2.513 457 S HA 0.420 4.905 4.470 0.024 0.000 0.299 457 S C 0.132 174.903 174.600 0.285 0.000 1.087 457 S CA -0.705 57.677 58.200 0.303 0.000 1.012 457 S CB 0.847 64.180 63.200 0.222 0.000 1.044 457 S HN 0.570 nan 8.310 nan 0.000 0.485 458 L N 4.035 125.417 121.223 0.265 0.000 2.599 458 L HA 0.367 4.721 4.340 0.024 0.000 0.230 458 L C 1.392 178.314 176.870 0.086 0.000 1.141 458 L CA 0.497 55.404 54.840 0.111 0.000 0.877 458 L CB -1.085 40.933 42.059 -0.068 0.000 1.009 458 L HN 1.010 nan 8.230 nan 0.000 0.447 459 G N 0.083 109.025 108.800 0.236 0.000 2.297 459 G HA2 -0.149 3.825 3.960 0.024 0.000 0.209 459 G HA3 -0.149 3.825 3.960 0.024 0.000 0.209 459 G C -1.545 173.559 174.900 0.340 0.000 1.267 459 G CA -0.509 44.742 45.100 0.252 0.000 1.127 459 G HN 0.191 nan 8.290 nan 0.000 0.498 460 N N 0.157 119.003 118.700 0.243 0.000 2.405 460 N HA 0.474 5.228 4.740 0.024 0.000 0.274 460 N C -0.469 175.014 175.510 -0.045 0.000 1.170 460 N CA 0.146 53.210 53.050 0.023 0.000 0.848 460 N CB 1.620 39.868 38.487 -0.398 0.000 1.629 460 N HN 0.898 nan 8.380 nan 0.000 0.481 461 E N 0.616 120.692 120.200 -0.205 0.000 2.160 461 E HA -0.177 4.188 4.350 0.024 0.000 0.180 461 E C -0.824 175.686 176.600 -0.149 0.000 1.452 461 E CA 0.788 56.971 56.400 -0.361 0.000 0.683 461 E CB -1.253 28.003 29.700 -0.740 0.000 1.072 461 E HN 0.439 nan 8.360 nan 0.000 0.332 462 S N -0.023 115.731 115.700 0.089 0.000 2.941 462 S HA 0.393 4.877 4.470 0.024 0.000 0.251 462 S C 0.625 175.383 174.600 0.264 0.000 1.029 462 S CA -0.152 58.164 58.200 0.194 0.000 1.062 462 S CB 1.401 64.776 63.200 0.292 0.000 0.977 462 S HN 0.842 nan 8.310 nan 0.000 0.552 463 G N 2.028 110.913 108.800 0.143 0.000 2.598 463 G HA2 -0.263 3.712 3.960 0.024 0.000 0.269 463 G HA3 -0.263 3.712 3.960 0.024 0.000 0.269 463 G C -0.521 174.581 174.900 0.336 0.000 1.289 463 G CA -0.060 45.132 45.100 0.153 0.000 0.926 463 G HN 0.643 nan 8.290 nan 0.000 0.567 464 H N 0.434 119.628 119.070 0.206 0.000 2.744 464 H HA 0.588 5.158 4.556 0.023 0.000 0.339 464 H C 0.247 175.750 175.328 0.291 0.000 1.004 464 H CA 0.037 56.256 56.048 0.285 0.000 1.257 464 H CB 0.921 30.778 29.762 0.158 0.000 1.552 464 H HN 1.149 nan 8.280 nan 0.000 0.522 465 G N 1.395 110.215 108.800 0.034 0.000 2.730 465 G HA2 0.458 4.432 3.960 0.024 0.000 0.289 465 G HA3 0.458 4.432 3.960 0.024 0.000 0.289 465 G C 0.500 175.230 174.900 -0.283 0.000 1.341 465 G CA -0.167 44.818 45.100 -0.192 0.000 0.932 465 G HN 0.661 nan 8.290 nan 0.000 0.481 466 A N 0.143 122.854 122.820 -0.183 0.000 2.024 466 A HA -0.094 4.240 4.320 0.024 0.000 0.220 466 A C 2.116 179.660 177.584 -0.066 0.000 1.164 466 A CA 1.966 53.944 52.037 -0.099 0.000 0.643 466 A CB -0.454 18.517 19.000 -0.048 0.000 0.806 466 A HN 0.529 nan 8.150 nan 0.000 0.451 467 N N -0.220 118.402 118.700 -0.129 0.000 2.166 467 N HA -0.148 4.606 4.740 0.024 0.000 0.186 467 N C 1.390 176.827 175.510 -0.123 0.000 1.019 467 N CA 1.741 54.707 53.050 -0.140 0.000 0.856 467 N CB -0.704 37.667 38.487 -0.193 0.000 0.993 467 N HN 0.789 nan 8.380 nan 0.000 0.426 468 H N 0.436 119.476 119.070 -0.050 0.000 2.353 468 H HA -0.038 4.532 4.556 0.023 0.000 0.300 468 H C 1.282 176.675 175.328 0.108 0.000 1.090 468 H CA 1.327 57.362 56.048 -0.022 0.000 1.327 468 H CB 0.125 29.884 29.762 -0.006 0.000 1.383 468 H HN 0.192 nan 8.280 nan 0.000 0.508 469 D N 0.401 120.950 120.400 0.249 0.000 2.117 469 D HA -0.142 4.512 4.640 0.024 0.000 0.197 469 D C 2.322 178.770 176.300 0.247 0.000 0.987 469 D CA 1.161 55.313 54.000 0.253 0.000 0.829 469 D CB -0.425 40.494 40.800 0.198 0.000 0.961 469 D HN 0.432 nan 8.370 nan 0.000 0.460 470 A N 0.950 123.863 122.820 0.155 0.000 1.883 470 A HA -0.149 4.185 4.320 0.024 0.000 0.217 470 A C 2.428 180.121 177.584 0.180 0.000 1.186 470 A CA 1.096 53.215 52.037 0.137 0.000 0.624 470 A CB -0.825 18.212 19.000 0.063 0.000 0.822 470 A HN 0.215 nan 8.150 nan 0.000 0.444 471 L N -2.188 119.127 121.223 0.153 0.000 2.156 471 L HA -0.133 4.222 4.340 0.024 0.000 0.208 471 L C 2.568 179.587 176.870 0.247 0.000 1.095 471 L CA 1.444 56.382 54.840 0.162 0.000 0.770 471 L CB -0.682 41.402 42.059 0.041 0.000 0.914 471 L HN 0.610 nan 8.230 nan 0.000 0.439 472 Y N 1.259 121.647 120.300 0.146 0.000 2.128 472 Y HA -0.311 4.249 4.550 0.016 0.000 0.284 472 Y C 2.815 178.796 175.900 0.136 0.000 1.154 472 Y CA 1.696 59.884 58.100 0.147 0.000 1.149 472 Y CB -0.142 38.409 38.460 0.150 0.000 0.976 472 Y HN -0.047 nan 8.280 nan 0.000 0.505 473 R N -0.025 120.574 120.500 0.166 0.000 2.115 473 R HA -0.182 4.172 4.340 0.024 0.000 0.230 473 R C 2.003 178.297 176.300 -0.009 0.000 1.111 473 R CA 1.749 57.864 56.100 0.023 0.000 0.976 473 R CB -1.548 28.849 30.300 0.163 0.000 0.870 473 R HN 0.662 nan 8.270 nan 0.000 0.445 474 W N 0.562 121.820 121.300 -0.070 0.000 2.335 474 W HA -0.167 4.508 4.660 0.026 0.000 0.311 474 W C 1.636 178.064 176.519 -0.153 0.000 1.213 474 W CA 2.083 59.371 57.345 -0.094 0.000 1.274 474 W CB -0.276 29.132 29.460 -0.086 0.000 1.148 474 W HN 0.063 nan 8.180 nan 0.000 0.498 475 I N 0.851 121.400 120.570 -0.034 0.000 2.179 475 I HA -0.340 3.845 4.170 0.024 0.000 0.242 475 I C 2.434 178.339 176.117 -0.353 0.000 1.088 475 I CA 1.412 62.534 61.300 -0.297 0.000 1.357 475 I CB -0.816 37.090 38.000 -0.156 0.000 1.051 475 I HN -0.082 nan 8.210 nan 0.000 0.409 476 K N 0.434 120.640 120.400 -0.324 0.000 2.160 476 K HA -0.187 4.148 4.320 0.024 0.000 0.206 476 K C 2.271 178.726 176.600 -0.242 0.000 1.047 476 K CA 1.611 57.730 56.287 -0.280 0.000 0.930 476 K CB -0.500 31.784 32.500 -0.360 0.000 0.720 476 K HN 0.279 nan 8.250 nan 0.000 0.450 477 S N 1.055 116.576 115.700 -0.298 0.000 2.362 477 S HA -0.090 4.395 4.470 0.024 0.000 0.221 477 S C 2.119 176.499 174.600 -0.367 0.000 1.032 477 S CA 1.210 59.240 58.200 -0.283 0.000 0.973 477 S CB -0.195 62.841 63.200 -0.274 0.000 0.849 477 S HN 0.196 nan 8.310 nan 0.000 0.465 478 V N -0.539 119.006 119.914 -0.615 0.000 2.548 478 V HA 0.193 4.327 4.120 0.024 0.000 0.249 478 V C 0.428 176.286 176.094 -0.393 0.000 1.055 478 V CA 1.732 63.664 62.300 -0.612 0.000 1.065 478 V CB -0.500 30.705 31.823 -1.029 0.000 0.681 478 V HN 0.473 nan 8.190 nan 0.000 0.462 479 D N 0.392 120.608 120.400 -0.307 0.000 2.405 479 D HA 0.392 5.046 4.640 0.024 0.000 0.264 479 D C -2.195 174.091 176.300 -0.024 0.000 1.240 479 D CA -1.911 52.023 54.000 -0.110 0.000 0.893 479 D CB 1.610 42.426 40.800 0.026 0.000 1.198 479 D HN 0.190 nan 8.370 nan 0.000 0.514 480 P HA -0.045 nan 4.420 nan 0.000 0.237 480 P C 1.170 178.488 177.300 0.029 0.000 1.178 480 P CA 0.480 63.571 63.100 -0.015 0.000 0.766 480 P CB 0.119 31.803 31.700 -0.026 0.000 0.876 481 S N -1.339 114.388 115.700 0.045 0.000 2.522 481 S HA 0.042 4.527 4.470 0.024 0.000 0.227 481 S C 0.880 175.506 174.600 0.042 0.000 0.986 481 S CA -0.036 58.194 58.200 0.052 0.000 0.929 481 S CB -0.393 62.832 63.200 0.042 0.000 0.769 481 S HN 0.067 nan 8.310 nan 0.000 0.529 482 R N 1.139 121.676 120.500 0.061 0.000 2.628 482 R HA 0.545 4.899 4.340 0.024 0.000 0.288 482 R C -3.169 173.177 176.300 0.077 0.000 0.980 482 R CA -2.255 53.844 56.100 -0.002 0.000 0.891 482 R CB 1.597 31.765 30.300 -0.219 0.000 1.188 482 R HN 0.154 nan 8.270 nan 0.000 0.450 483 P HA 0.082 nan 4.420 nan 0.000 0.272 483 P C -0.807 176.597 177.300 0.174 0.000 1.240 483 P CA -0.394 62.767 63.100 0.102 0.000 0.791 483 P CB 0.644 32.391 31.700 0.078 0.000 0.978 484 V N 1.745 121.792 119.914 0.222 0.000 2.495 484 V HA 0.410 4.545 4.120 0.024 0.000 0.298 484 V C 0.183 176.468 176.094 0.318 0.000 1.031 484 V CA -0.302 62.183 62.300 0.308 0.000 0.871 484 V CB 1.144 33.137 31.823 0.283 0.000 0.988 484 V HN 0.614 nan 8.190 nan 0.000 0.432 485 Q N 3.803 123.772 119.800 0.282 0.000 2.458 485 Q HA 0.816 5.171 4.340 0.024 0.000 0.282 485 Q C -1.849 174.321 176.000 0.283 0.000 1.106 485 Q CA -0.938 54.997 55.803 0.220 0.000 0.814 485 Q CB 3.012 31.825 28.738 0.125 0.000 1.425 485 Q HN 0.636 nan 8.270 nan 0.000 0.437 486 Y N 0.027 120.342 120.300 0.025 0.000 2.357 486 Y HA 0.137 4.700 4.550 0.022 0.000 0.319 486 Y C -0.608 175.239 175.900 -0.089 0.000 1.225 486 Y CA -0.708 57.375 58.100 -0.028 0.000 1.095 486 Y CB 1.996 40.434 38.460 -0.037 0.000 1.302 486 Y HN 0.956 nan 8.280 nan 0.000 0.429 487 E N 3.335 123.028 120.200 -0.845 0.000 2.318 487 E HA 0.139 4.504 4.350 0.024 0.000 0.193 487 E C 0.653 176.806 176.600 -0.746 0.000 0.998 487 E CA 0.704 56.726 56.400 -0.629 0.000 0.859 487 E CB 0.289 29.755 29.700 -0.391 0.000 0.812 487 E HN 0.881 nan 8.360 nan 0.000 0.492 488 G N -0.252 107.689 108.800 -1.432 0.000 2.559 488 G HA2 0.256 4.230 3.960 0.024 0.000 0.235 488 G HA3 0.256 4.230 3.960 0.024 0.000 0.235 488 G C 0.793 175.538 174.900 -0.259 0.000 1.266 488 G CA 0.257 44.945 45.100 -0.687 0.000 0.847 488 G HN 0.325 nan 8.290 nan 0.000 0.583 489 G N -0.722 108.039 108.800 -0.066 0.000 2.143 489 G HA2 0.230 4.204 3.960 0.024 0.000 0.248 489 G HA3 0.230 4.204 3.960 0.024 0.000 0.248 489 G C 1.255 176.163 174.900 0.014 0.000 0.991 489 G CA 0.990 46.117 45.100 0.044 0.000 0.689 489 G HN 2.619 nan 8.290 nan 0.000 0.522 490 G N -1.471 107.330 108.800 0.001 0.000 2.205 490 G HA2 0.446 4.420 3.960 0.024 0.000 0.180 490 G HA3 0.446 4.420 3.960 0.024 0.000 0.180 490 G C 1.008 176.037 174.900 0.214 0.000 1.004 490 G CA 1.293 46.463 45.100 0.116 0.000 0.670 490 G HN 2.348 nan 8.290 nan 0.000 0.496 491 A N -0.271 122.557 122.820 0.014 0.000 3.661 491 A HA -0.131 4.203 4.320 0.024 0.000 0.269 491 A C 1.111 178.632 177.584 -0.105 0.000 1.056 491 A CA 2.621 54.606 52.037 -0.087 0.000 1.159 491 A CB -1.754 17.164 19.000 -0.137 0.000 1.105 491 A HN 2.105 nan 8.150 nan 0.000 0.907 492 D N -0.773 119.651 120.400 0.039 0.000 2.760 492 D HA 0.321 4.975 4.640 0.024 0.000 0.314 492 D C 0.416 176.714 176.300 -0.005 0.000 1.464 492 D CA 0.866 54.893 54.000 0.046 0.000 0.797 492 D CB -1.149 39.831 40.800 0.299 0.000 1.149 492 D HN 0.855 nan 8.370 nan 0.000 0.455 493 T N -2.267 112.216 114.554 -0.119 0.000 2.698 493 T HA 0.184 4.549 4.350 0.024 0.000 0.295 493 T C 1.584 176.140 174.700 -0.239 0.000 1.007 493 T CA 0.515 62.466 62.100 -0.248 0.000 0.980 493 T CB 0.815 69.305 68.868 -0.630 0.000 1.036 493 T HN 0.086 nan 8.240 nan 0.000 0.526 494 T N -2.558 111.839 114.554 -0.262 0.000 3.163 494 T HA 0.250 4.614 4.350 0.024 0.000 0.260 494 T C 1.441 175.880 174.700 -0.435 0.000 1.156 494 T CA 0.234 62.199 62.100 -0.224 0.000 1.072 494 T CB -0.461 68.363 68.868 -0.075 0.000 0.937 494 T HN 0.838 nan 8.240 nan 0.000 0.528 495 A N 0.442 123.025 122.820 -0.394 0.000 2.507 495 A HA 0.537 4.871 4.320 0.024 0.000 0.270 495 A C 0.735 178.133 177.584 -0.309 0.000 1.318 495 A CA -0.362 51.412 52.037 -0.438 0.000 0.924 495 A CB 0.085 19.123 19.000 0.065 0.000 1.061 495 A HN 0.420 nan 8.150 nan 0.000 0.516 496 T N -1.443 112.936 114.554 -0.292 0.000 2.952 496 T HA 0.363 4.727 4.350 0.024 0.000 0.305 496 T C -0.683 174.031 174.700 0.023 0.000 1.064 496 T CA -0.422 61.669 62.100 -0.016 0.000 1.008 496 T CB 1.274 70.136 68.868 -0.010 0.000 1.078 496 T HN 0.075 nan 8.240 nan 0.000 0.459 497 D N 2.795 123.298 120.400 0.171 0.000 2.348 497 D HA 0.271 4.925 4.640 0.024 0.000 0.211 497 D C 0.344 176.677 176.300 0.054 0.000 0.998 497 D CA 0.680 54.764 54.000 0.141 0.000 0.873 497 D CB 0.403 41.322 40.800 0.197 0.000 0.925 497 D HN 0.537 nan 8.370 nan 0.000 0.524 498 I N 1.014 121.598 120.570 0.024 0.000 2.498 498 I HA 0.252 4.436 4.170 0.024 0.000 0.290 498 I C -0.147 175.905 176.117 -0.108 0.000 1.032 498 I CA -0.892 60.387 61.300 -0.035 0.000 1.073 498 I CB 2.757 40.749 38.000 -0.014 0.000 1.251 498 I HN -0.351 nan 8.210 nan 0.000 0.426 499 I N 5.846 126.304 120.570 -0.187 0.000 2.505 499 I HA 0.028 4.212 4.170 0.024 0.000 0.287 499 I C 0.218 176.123 176.117 -0.354 0.000 1.104 499 I CA 0.072 61.159 61.300 -0.355 0.000 1.387 499 I CB 0.125 37.799 38.000 -0.543 0.000 1.404 499 I HN 0.679 nan 8.210 nan 0.000 0.528 500 C N 5.832 124.940 119.300 -0.321 0.000 3.414 500 C HA 0.492 4.967 4.460 0.024 0.000 0.208 500 C C -2.199 172.652 174.990 -0.231 0.000 1.422 500 C CA -2.257 56.627 59.018 -0.223 0.000 1.437 500 C CB -0.816 26.854 27.740 -0.117 0.000 1.850 500 C HN 0.415 nan 8.230 nan 0.000 0.481 501 P HA 0.354 nan 4.420 nan 0.000 0.274 501 P C -0.469 176.777 177.300 -0.089 0.000 1.256 501 P CA 0.147 63.142 63.100 -0.176 0.000 0.795 501 P CB 0.848 32.450 31.700 -0.165 0.000 1.038 502 M N 0.104 119.676 119.600 -0.047 0.000 2.181 502 M HA 0.435 4.929 4.480 0.024 0.000 0.323 502 M C -0.822 175.467 176.300 -0.017 0.000 1.004 502 M CA -0.664 54.509 55.300 -0.213 0.000 0.941 502 M CB 1.128 33.588 32.600 -0.234 0.000 1.579 502 M HN 0.318 nan 8.290 nan 0.000 0.427 503 Y N -0.171 120.308 120.300 0.299 0.000 4.409 503 Y HA -0.228 4.337 4.550 0.025 0.000 0.228 503 Y C 0.523 176.601 175.900 0.297 0.000 1.108 503 Y CA 0.474 58.753 58.100 0.299 0.000 1.955 503 Y CB -2.316 36.293 38.460 0.247 0.000 1.615 503 Y HN 0.969 nan 8.280 nan 0.000 0.665 504 A N 1.063 124.100 122.820 0.361 0.000 2.425 504 A HA 0.582 4.916 4.320 0.024 0.000 0.249 504 A C 0.745 178.553 177.584 0.373 0.000 1.084 504 A CA -0.446 51.809 52.037 0.363 0.000 0.781 504 A CB 0.420 19.674 19.000 0.422 0.000 1.019 504 A HN 0.424 nan 8.150 nan 0.000 0.490 505 R N 1.264 121.912 120.500 0.247 0.000 2.546 505 R HA 0.346 4.701 4.340 0.024 0.000 0.266 505 R C 0.988 177.259 176.300 -0.050 0.000 1.086 505 R CA -0.736 55.441 56.100 0.129 0.000 1.160 505 R CB 0.630 30.972 30.300 0.069 0.000 1.138 505 R HN 0.482 nan 8.270 nan 0.000 0.567 506 V N 0.619 120.335 119.914 -0.331 0.000 2.323 506 V HA -0.186 3.948 4.120 0.024 0.000 0.244 506 V C 0.939 176.916 176.094 -0.195 0.000 1.041 506 V CA 1.857 63.931 62.300 -0.376 0.000 1.025 506 V CB -0.258 31.216 31.823 -0.583 0.000 0.656 506 V HN 0.732 nan 8.190 nan 0.000 0.451 507 D N -1.500 118.817 120.400 -0.137 0.000 2.454 507 D HA 0.101 4.755 4.640 0.024 0.000 0.219 507 D C 0.931 177.214 176.300 -0.029 0.000 1.081 507 D CA 0.078 54.033 54.000 -0.075 0.000 0.867 507 D CB 0.700 41.460 40.800 -0.067 0.000 1.054 507 D HN 0.455 nan 8.370 nan 0.000 0.500 508 E N 1.844 122.030 120.200 -0.023 0.000 2.174 508 E HA 0.118 4.482 4.350 0.024 0.000 0.282 508 E C -0.852 175.744 176.600 -0.005 0.000 0.992 508 E CA -0.557 55.837 56.400 -0.010 0.000 0.803 508 E CB 1.027 30.720 29.700 -0.011 0.000 1.090 508 E HN -0.167 nan 8.360 nan 0.000 0.396 509 D N 3.365 123.763 120.400 -0.004 0.000 2.313 509 D HA 0.147 4.801 4.640 0.024 0.000 0.247 509 D C -0.572 175.608 176.300 -0.200 0.000 1.094 509 D CA 0.110 54.092 54.000 -0.031 0.000 0.925 509 D CB 1.142 41.995 40.800 0.089 0.000 1.188 509 D HN 0.399 nan 8.370 nan 0.000 0.430 510 Q N 1.185 120.735 119.800 -0.417 0.000 2.932 510 Q HA 0.241 4.595 4.340 0.024 0.000 0.248 510 Q C -2.233 173.141 176.000 -1.044 0.000 0.982 510 Q CA -1.483 53.873 55.803 -0.743 0.000 0.730 510 Q CB 2.285 30.531 28.738 -0.821 0.000 1.249 510 Q HN 0.148 nan 8.270 nan 0.000 0.476 511 P HA -0.027 nan 4.420 nan 0.000 0.232 511 P C -0.674 176.335 177.300 -0.484 0.000 1.738 511 P CA 0.064 62.738 63.100 -0.709 0.000 0.948 511 P CB -0.648 30.851 31.700 -0.335 0.000 1.943 512 F N 1.721 121.489 119.950 -0.303 0.000 2.563 512 F HA 0.149 4.690 4.527 0.023 0.000 0.363 512 F C -1.235 174.460 175.800 -0.175 0.000 1.123 512 F CA -2.325 55.562 58.000 -0.188 0.000 1.307 512 F CB -0.598 38.309 39.000 -0.154 0.000 1.115 512 F HN 0.041 nan 8.300 nan 0.000 0.592 513 P HA 0.109 nan 4.420 nan 0.000 0.269 513 P C 0.306 177.622 177.300 0.027 0.000 1.209 513 P CA 1.038 64.156 63.100 0.031 0.000 0.776 513 P CB 1.124 32.840 31.700 0.027 0.000 0.876 514 A N 2.307 125.138 122.820 0.019 0.000 2.617 514 A HA -0.252 4.083 4.320 0.024 0.000 0.236 514 A C 0.761 178.358 177.584 0.021 0.000 0.514 514 A CA 2.147 54.200 52.037 0.026 0.000 1.126 514 A CB -2.706 16.307 19.000 0.022 0.000 1.393 514 A HN 0.697 nan 8.150 nan 0.000 0.693 515 V N -3.178 116.741 119.914 0.009 0.000 2.562 515 V HA 0.541 4.675 4.120 0.024 0.000 0.274 515 V C -2.346 173.741 176.094 -0.011 0.000 1.075 515 V CA -1.240 61.065 62.300 0.009 0.000 1.204 515 V CB 0.512 32.341 31.823 0.011 0.000 1.478 515 V HN 0.503 nan 8.190 nan 0.000 0.622 516 P HA 0.196 nan 4.420 nan 0.000 0.268 516 P C -0.548 176.336 177.300 -0.693 0.000 1.208 516 P CA 0.289 63.019 63.100 -0.616 0.000 0.777 516 P CB 0.925 31.774 31.700 -1.419 0.000 0.875 517 K N 2.395 122.442 120.400 -0.587 0.000 2.419 517 K HA 0.202 4.536 4.320 0.024 0.000 0.244 517 K C -0.419 175.896 176.600 -0.475 0.000 1.045 517 K CA -0.285 55.841 56.287 -0.269 0.000 1.004 517 K CB 0.351 32.948 32.500 0.163 0.000 1.376 517 K HN 0.461 nan 8.250 nan 0.000 0.460 518 W N 1.294 122.302 121.300 -0.488 0.000 2.126 518 W HA 0.065 4.739 4.660 0.024 0.000 0.346 518 W C 1.308 177.837 176.519 0.017 0.000 1.279 518 W CA -0.439 56.698 57.345 -0.346 0.000 1.259 518 W CB 0.447 29.522 29.460 -0.643 0.000 1.133 518 W HN 0.359 nan 8.180 nan 0.000 0.592 519 S N 3.158 119.014 115.700 0.260 0.000 2.558 519 S HA -0.069 4.415 4.470 0.024 0.000 0.293 519 S C 1.244 176.000 174.600 0.260 0.000 1.292 519 S CA -0.196 58.107 58.200 0.171 0.000 1.063 519 S CB 0.156 63.408 63.200 0.086 0.000 0.831 519 S HN 0.518 nan 8.310 nan 0.000 0.499 520 I N 2.146 122.832 120.570 0.194 0.000 2.361 520 I HA -0.144 4.040 4.170 0.024 0.000 0.251 520 I C 1.982 178.127 176.117 0.047 0.000 1.133 520 I CA 1.307 62.718 61.300 0.185 0.000 1.413 520 I CB -0.425 37.626 38.000 0.085 0.000 1.073 520 I HN 0.592 nan 8.210 nan 0.000 0.424 521 K N 1.561 121.886 120.400 -0.125 0.000 2.057 521 K HA -0.153 4.182 4.320 0.024 0.000 0.206 521 K C 2.301 178.903 176.600 0.004 0.000 1.050 521 K CA 1.690 57.815 56.287 -0.271 0.000 0.935 521 K CB -0.186 32.065 32.500 -0.416 0.000 0.715 521 K HN 0.377 nan 8.250 nan 0.000 0.439 522 K N 0.053 120.478 120.400 0.043 0.000 2.103 522 K HA -0.170 4.164 4.320 0.024 0.000 0.204 522 K C 1.885 178.526 176.600 0.067 0.000 1.052 522 K CA 0.889 57.195 56.287 0.030 0.000 0.945 522 K CB -0.090 32.396 32.500 -0.023 0.000 0.722 522 K HN 0.208 nan 8.250 nan 0.000 0.443 523 W N 2.137 123.434 121.300 -0.005 0.000 2.338 523 W HA -0.198 4.474 4.660 0.021 0.000 0.304 523 W C 1.582 178.087 176.519 -0.024 0.000 1.212 523 W CA 1.197 58.546 57.345 0.007 0.000 1.264 523 W CB -0.665 28.873 29.460 0.128 0.000 1.142 523 W HN 0.100 nan 8.180 nan 0.000 0.512 524 L N 0.850 122.237 121.223 0.273 0.000 2.129 524 L HA -0.259 4.095 4.340 0.024 0.000 0.212 524 L C 2.220 179.160 176.870 0.118 0.000 1.087 524 L CA 2.031 56.966 54.840 0.158 0.000 0.757 524 L CB -0.974 41.167 42.059 0.137 0.000 0.896 524 L HN 0.007 nan 8.230 nan 0.000 0.434 525 S N -1.545 114.209 115.700 0.090 0.000 2.572 525 S HA 0.261 4.745 4.470 0.024 0.000 0.228 525 S C 0.541 175.129 174.600 -0.019 0.000 0.963 525 S CA -0.547 57.675 58.200 0.036 0.000 0.939 525 S CB -0.375 62.846 63.200 0.035 0.000 0.804 525 S HN 0.149 nan 8.310 nan 0.000 0.480 526 L N 2.114 123.314 121.223 -0.038 0.000 2.506 526 L HA 0.223 4.577 4.340 0.024 0.000 0.281 526 L C -2.191 174.641 176.870 -0.063 0.000 1.228 526 L CA -1.728 53.037 54.840 -0.124 0.000 0.850 526 L CB -0.294 41.660 42.059 -0.174 0.000 1.110 526 L HN 0.033 nan 8.230 nan 0.000 0.496 527 P HA -0.045 nan 4.420 nan 0.000 0.258 527 P C 0.747 178.036 177.300 -0.019 0.000 1.172 527 P CA 1.109 64.180 63.100 -0.047 0.000 0.762 527 P CB 0.435 32.101 31.700 -0.056 0.000 0.764 528 G N 1.824 110.621 108.800 -0.005 0.000 2.205 528 G HA2 -0.279 3.695 3.960 0.024 0.000 0.261 528 G HA3 -0.279 3.695 3.960 0.024 0.000 0.261 528 G C 0.260 175.173 174.900 0.022 0.000 0.980 528 G CA 0.132 45.238 45.100 0.009 0.000 0.632 528 G HN 0.617 nan 8.290 nan 0.000 0.533 529 E N 1.047 121.266 120.200 0.031 0.000 2.338 529 E HA 0.594 4.959 4.350 0.024 0.000 0.272 529 E C 1.379 178.003 176.600 0.041 0.000 1.029 529 E CA 0.690 57.122 56.400 0.054 0.000 0.872 529 E CB 0.779 30.538 29.700 0.097 0.000 1.015 529 E HN 0.515 nan 8.360 nan 0.000 0.417 530 T N 0.582 115.157 114.554 0.035 0.000 3.041 530 T HA 0.332 4.696 4.350 0.024 0.000 0.276 530 T C 0.592 175.302 174.700 0.016 0.000 0.948 530 T CA -0.451 61.664 62.100 0.025 0.000 0.885 530 T CB 0.122 69.003 68.868 0.022 0.000 1.175 530 T HN 0.232 nan 8.240 nan 0.000 0.529 531 R N 2.265 122.771 120.500 0.010 0.000 2.637 531 R HA 0.480 4.835 4.340 0.024 0.000 0.269 531 R C -2.554 173.728 176.300 -0.031 0.000 1.089 531 R CA -1.871 54.224 56.100 -0.009 0.000 1.177 531 R CB 0.045 30.332 30.300 -0.021 0.000 1.091 531 R HN 0.211 nan 8.270 nan 0.000 0.540 532 P HA 0.094 nan 4.420 nan 0.000 0.276 532 P C -1.106 176.124 177.300 -0.116 0.000 1.244 532 P CA -0.146 62.913 63.100 -0.068 0.000 0.801 532 P CB 0.667 32.327 31.700 -0.068 0.000 1.006 533 L N 2.455 123.589 121.223 -0.149 0.000 2.349 533 L HA 0.582 4.937 4.340 0.024 0.000 0.278 533 L C -1.044 175.682 176.870 -0.240 0.000 0.996 533 L CA -0.645 54.066 54.840 -0.214 0.000 0.825 533 L CB 0.640 42.565 42.059 -0.223 0.000 1.243 533 L HN 0.230 nan 8.230 nan 0.000 0.412 534 I N 5.569 126.006 120.570 -0.222 0.000 2.468 534 I HA 0.266 4.451 4.170 0.024 0.000 0.285 534 I C -0.771 175.258 176.117 -0.147 0.000 1.039 534 I CA -0.565 60.593 61.300 -0.237 0.000 1.074 534 I CB 2.043 39.967 38.000 -0.128 0.000 1.228 534 I HN 0.487 nan 8.210 nan 0.000 0.436 535 L N 5.706 126.810 121.223 -0.197 0.000 2.455 535 L HA 0.034 4.389 4.340 0.024 0.000 0.272 535 L C 1.431 178.389 176.870 0.146 0.000 1.174 535 L CA -0.090 54.710 54.840 -0.067 0.000 0.869 535 L CB 0.668 42.673 42.059 -0.090 0.000 1.130 535 L HN 0.854 nan 8.230 nan 0.000 0.474 536 C N 0.089 119.449 119.300 0.100 0.000 2.481 536 C HA 0.177 4.652 4.460 0.024 0.000 0.275 536 C C 0.581 175.730 174.990 0.266 0.000 1.419 536 C CA -0.278 58.849 59.018 0.181 0.000 1.773 536 C CB -1.118 26.638 27.740 0.026 0.000 1.862 536 C HN 0.815 nan 8.230 nan 0.000 0.530 537 E N -0.749 119.546 120.200 0.158 0.000 2.335 537 E HA 0.584 4.948 4.350 0.024 0.000 0.280 537 E C -1.460 175.113 176.600 -0.044 0.000 0.918 537 E CA -0.391 56.097 56.400 0.148 0.000 0.765 537 E CB 2.005 31.652 29.700 -0.088 0.000 1.218 537 E HN 0.665 nan 8.360 nan 0.000 0.425 538 Y N -1.185 119.124 120.300 0.014 0.000 2.689 538 Y HA 0.630 5.195 4.550 0.025 0.000 0.333 538 Y C -0.699 175.405 175.900 0.341 0.000 1.208 538 Y CA -0.847 57.274 58.100 0.034 0.000 1.055 538 Y CB 0.949 39.266 38.460 -0.238 0.000 1.304 538 Y HN 0.663 nan 8.280 nan 0.000 0.455 539 A N 2.026 124.964 122.820 0.197 0.000 2.303 539 A HA -0.265 4.069 4.320 0.024 0.000 0.286 539 A C -0.416 177.329 177.584 0.269 0.000 1.429 539 A CA 1.058 53.200 52.037 0.175 0.000 0.738 539 A CB -2.418 16.591 19.000 0.016 0.000 1.149 539 A HN 1.118 nan 8.150 nan 0.000 0.364 540 H N 0.955 120.202 119.070 0.295 0.000 3.191 540 H HA 0.296 4.867 4.556 0.024 0.000 0.261 540 H C 1.004 176.421 175.328 0.149 0.000 1.013 540 H CA 0.801 57.035 56.048 0.309 0.000 1.457 540 H CB 0.408 30.220 29.762 0.084 0.000 1.535 540 H HN 0.826 nan 8.280 nan 0.000 0.518 541 A N 6.820 129.586 122.820 -0.090 0.000 3.019 541 A HA 0.078 4.413 4.320 0.024 0.000 0.262 541 A C 0.834 178.298 177.584 -0.201 0.000 1.509 541 A CA -0.444 51.505 52.037 -0.146 0.000 1.159 541 A CB -0.689 18.195 19.000 -0.193 0.000 1.042 541 A HN 0.819 nan 8.150 nan 0.000 0.641 542 M N 1.727 121.200 119.600 -0.212 0.000 2.193 542 M HA 0.446 4.940 4.480 0.024 0.000 0.342 542 M C 0.949 177.116 176.300 -0.222 0.000 1.413 542 M CA 1.279 56.457 55.300 -0.204 0.000 1.191 542 M CB -0.336 32.192 32.600 -0.121 0.000 1.633 542 M HN 0.879 nan 8.290 nan 0.000 0.458 543 G N 4.218 112.881 108.800 -0.228 0.000 2.547 543 G HA2 -0.334 3.641 3.960 0.024 0.000 0.271 543 G HA3 -0.334 3.641 3.960 0.024 0.000 0.271 543 G C -0.267 174.192 174.900 -0.735 0.000 1.209 543 G CA 0.011 44.812 45.100 -0.497 0.000 0.959 543 G HN 0.831 nan 8.290 nan 0.000 0.563 544 N N 1.300 119.372 118.700 -1.047 0.000 2.466 544 N HA 0.507 5.261 4.740 0.024 0.000 0.263 544 N C -0.006 175.260 175.510 -0.406 0.000 1.178 544 N CA 1.089 53.682 53.050 -0.762 0.000 0.983 544 N CB 0.478 38.499 38.487 -0.776 0.000 1.331 544 N HN 0.850 nan 8.380 nan 0.000 0.500 545 S N 2.169 117.722 115.700 -0.245 0.000 2.880 545 S HA 0.617 5.101 4.470 0.024 0.000 0.308 545 S C -0.173 174.376 174.600 -0.086 0.000 1.195 545 S CA -0.358 57.751 58.200 -0.152 0.000 0.866 545 S CB 0.155 63.285 63.200 -0.117 0.000 1.254 545 S HN 0.373 nan 8.310 nan 0.000 0.571 546 L N 0.084 121.291 121.223 -0.026 0.000 4.639 546 L HA -0.042 4.313 4.340 0.024 0.000 0.402 546 L C 0.468 177.392 176.870 0.091 0.000 1.069 546 L CA 0.909 55.760 54.840 0.018 0.000 1.105 546 L CB -1.696 40.284 42.059 -0.131 0.000 2.122 546 L HN 0.747 nan 8.230 nan 0.000 0.662 547 G N -0.884 107.940 108.800 0.040 0.000 2.406 547 G HA2 0.486 4.461 3.960 0.024 0.000 0.251 547 G HA3 0.486 4.461 3.960 0.024 0.000 0.251 547 G C 1.215 176.181 174.900 0.111 0.000 1.271 547 G CA 0.139 45.240 45.100 0.002 0.000 0.859 547 G HN 1.392 nan 8.290 nan 0.000 0.540 548 G N 1.320 110.181 108.800 0.103 0.000 2.159 548 G HA2 -0.320 3.654 3.960 0.024 0.000 0.256 548 G HA3 -0.320 3.654 3.960 0.024 0.000 0.256 548 G C 0.981 176.090 174.900 0.347 0.000 0.977 548 G CA 0.776 45.996 45.100 0.200 0.000 0.652 548 G HN 0.774 nan 8.290 nan 0.000 0.531 549 F N 1.714 121.807 119.950 0.237 0.000 2.134 549 F HA 0.149 4.691 4.527 0.024 0.000 0.299 549 F C 2.655 178.685 175.800 0.383 0.000 1.097 549 F CA 2.446 60.659 58.000 0.355 0.000 1.264 549 F CB -0.403 38.742 39.000 0.242 0.000 1.001 549 F HN 0.335 nan 8.300 nan 0.000 0.479 550 A N -0.344 122.660 122.820 0.306 0.000 2.019 550 A HA -0.226 4.108 4.320 0.024 0.000 0.219 550 A C 2.284 179.901 177.584 0.055 0.000 1.164 550 A CA 1.688 53.834 52.037 0.181 0.000 0.644 550 A CB -0.788 18.323 19.000 0.183 0.000 0.805 550 A HN 0.449 nan 8.150 nan 0.000 0.449 551 K N -1.558 118.859 120.400 0.027 0.000 2.097 551 K HA -0.173 4.162 4.320 0.024 0.000 0.206 551 K C 1.698 178.082 176.600 -0.360 0.000 1.049 551 K CA 1.576 57.790 56.287 -0.121 0.000 0.933 551 K CB -0.315 32.118 32.500 -0.112 0.000 0.717 551 K HN 0.575 nan 8.250 nan 0.000 0.442 552 Y N -0.781 119.252 120.300 -0.444 0.000 2.145 552 Y HA -0.250 4.314 4.550 0.023 0.000 0.286 552 Y C 2.007 176.892 175.900 -1.692 0.000 1.145 552 Y CA 1.614 59.072 58.100 -1.071 0.000 1.148 552 Y CB -0.277 37.548 38.460 -1.058 0.000 0.981 552 Y HN 0.182 nan 8.280 nan 0.000 0.507 553 W N -0.086 120.763 121.300 -0.751 0.000 2.358 553 W HA -0.204 4.471 4.660 0.025 0.000 0.303 553 W C 2.634 178.974 176.519 -0.300 0.000 1.208 553 W CA 1.455 58.501 57.345 -0.498 0.000 1.274 553 W CB -0.578 28.689 29.460 -0.320 0.000 1.138 553 W HN 0.037 nan 8.180 nan 0.000 0.515 554 Q N 0.815 120.533 119.800 -0.136 0.000 2.084 554 Q HA -0.182 4.172 4.340 0.024 0.000 0.202 554 Q C 2.173 178.108 176.000 -0.108 0.000 0.978 554 Q CA 2.122 57.880 55.803 -0.075 0.000 0.844 554 Q CB -0.594 28.115 28.738 -0.048 0.000 0.898 554 Q HN 0.281 nan 8.270 nan 0.000 0.426 555 A N -0.083 122.580 122.820 -0.262 0.000 1.897 555 A HA -0.088 4.246 4.320 0.024 0.000 0.215 555 A C 2.055 179.603 177.584 -0.060 0.000 1.181 555 A CA 0.978 52.891 52.037 -0.208 0.000 0.620 555 A CB -1.056 17.696 19.000 -0.413 0.000 0.821 555 A HN 0.471 nan 8.150 nan 0.000 0.443 556 F N -0.265 119.502 119.950 -0.305 0.000 2.154 556 F HA -0.244 4.298 4.527 0.025 0.000 0.301 556 F C 2.754 178.453 175.800 -0.169 0.000 1.087 556 F CA 1.201 58.992 58.000 -0.348 0.000 1.274 556 F CB -0.169 38.398 39.000 -0.722 0.000 1.009 556 F HN 0.171 nan 8.300 nan 0.000 0.485 557 R N -0.050 120.500 120.500 0.084 0.000 2.119 557 R HA -0.131 4.223 4.340 0.024 0.000 0.222 557 R C 2.089 178.426 176.300 0.061 0.000 1.088 557 R CA 0.949 57.086 56.100 0.062 0.000 0.984 557 R CB -0.335 29.997 30.300 0.054 0.000 0.884 557 R HN 0.375 nan 8.270 nan 0.000 0.447 558 Q N -0.224 119.642 119.800 0.110 0.000 2.212 558 Q HA -0.053 4.302 4.340 0.024 0.000 0.199 558 Q C -0.459 175.594 176.000 0.090 0.000 0.950 558 Q CA 0.897 56.765 55.803 0.109 0.000 0.863 558 Q CB 0.377 29.221 28.738 0.176 0.000 0.944 558 Q HN 0.180 nan 8.270 nan 0.000 0.465 559 Y N 0.401 120.683 120.300 -0.030 0.000 2.385 559 Y HA 0.278 4.841 4.550 0.022 0.000 0.341 559 Y C -1.794 174.079 175.900 -0.044 0.000 0.965 559 Y CA -2.867 55.215 58.100 -0.031 0.000 1.180 559 Y CB 1.391 39.838 38.460 -0.022 0.000 1.139 559 Y HN 0.130 nan 8.280 nan 0.000 0.502 560 P HA -0.209 nan 4.420 nan 0.000 0.216 560 P C 1.185 178.484 177.300 -0.000 0.000 1.157 560 P CA 1.954 65.054 63.100 -0.000 0.000 0.880 560 P CB 0.304 31.987 31.700 -0.028 0.000 0.791 561 R N -1.288 119.232 120.500 0.033 0.000 2.316 561 R HA 0.072 4.426 4.340 0.024 0.000 0.202 561 R C 0.496 176.776 176.300 -0.034 0.000 1.029 561 R CA 0.171 56.273 56.100 0.003 0.000 1.018 561 R CB -0.520 29.793 30.300 0.022 0.000 0.888 561 R HN 0.242 nan 8.270 nan 0.000 0.471 562 L N 1.782 123.002 121.223 -0.005 0.000 2.282 562 L HA 0.128 4.483 4.340 0.024 0.000 0.287 562 L C 0.503 177.218 176.870 -0.258 0.000 1.075 562 L CA 0.153 54.933 54.840 -0.100 0.000 0.839 562 L CB 1.182 43.253 42.059 0.019 0.000 1.219 562 L HN 0.084 nan 8.230 nan 0.000 0.434 563 Q N 2.866 122.438 119.800 -0.380 0.000 2.201 563 Q HA 0.309 4.663 4.340 0.024 0.000 0.236 563 Q C 0.809 176.395 176.000 -0.690 0.000 0.857 563 Q CA 0.093 55.641 55.803 -0.426 0.000 1.025 563 Q CB 1.037 29.620 28.738 -0.258 0.000 1.124 563 Q HN 0.958 nan 8.270 nan 0.000 0.473 564 G N -0.289 107.695 108.800 -1.359 0.000 2.445 564 G HA2 0.074 4.048 3.960 0.024 0.000 0.212 564 G HA3 0.074 4.048 3.960 0.024 0.000 0.212 564 G C -0.249 173.822 174.900 -1.382 0.000 1.217 564 G CA -0.747 43.195 45.100 -1.930 0.000 1.002 564 G HN 0.594 nan 8.290 nan 0.000 0.574 565 G N -2.231 106.085 108.800 -0.807 0.000 2.349 565 G HA2 0.642 4.617 3.960 0.024 0.000 0.294 565 G HA3 0.642 4.617 3.960 0.024 0.000 0.294 565 G C -1.780 173.092 174.900 -0.046 0.000 1.380 565 G CA -0.265 44.590 45.100 -0.408 0.000 0.811 565 G HN 1.151 nan 8.290 nan 0.000 0.519 566 F N 0.755 120.970 119.950 0.442 0.000 2.403 566 F HA 0.520 5.060 4.527 0.022 0.000 0.355 566 F C 0.795 176.865 175.800 0.450 0.000 1.119 566 F CA -0.778 57.481 58.000 0.432 0.000 1.007 566 F CB 1.941 41.090 39.000 0.249 0.000 1.194 566 F HN 0.248 nan 8.300 nan 0.000 0.443 567 V N 3.250 123.426 119.914 0.438 0.000 2.872 567 V HA -0.137 3.997 4.120 0.024 0.000 0.307 567 V C -0.226 175.996 176.094 0.214 0.000 1.072 567 V CA -0.260 62.096 62.300 0.094 0.000 1.148 567 V CB 0.791 32.698 31.823 0.140 0.000 0.954 567 V HN 0.778 nan 8.190 nan 0.000 0.490 568 W N 6.472 127.853 121.300 0.136 0.000 2.296 568 W HA 0.458 5.132 4.660 0.023 0.000 0.316 568 W C -0.858 175.687 176.519 0.045 0.000 1.022 568 W CA -0.649 56.820 57.345 0.208 0.000 1.324 568 W CB 1.247 31.011 29.460 0.507 0.000 1.227 568 W HN 0.913 nan 8.180 nan 0.000 0.409 569 D N 2.774 122.853 120.400 -0.535 0.000 2.759 569 D HA 0.077 4.732 4.640 0.024 0.000 0.321 569 D C 0.672 176.728 176.300 -0.407 0.000 1.267 569 D CA -0.572 52.962 54.000 -0.776 0.000 0.933 569 D CB 0.199 39.886 40.800 -1.854 0.000 1.431 569 D HN 0.410 nan 8.370 nan 0.000 0.504 570 W N 0.519 121.499 121.300 -0.532 0.000 2.353 570 W HA 0.064 4.738 4.660 0.024 0.000 0.319 570 W C -0.041 176.259 176.519 -0.365 0.000 1.207 570 W CA 1.338 58.430 57.345 -0.421 0.000 1.291 570 W CB 0.288 29.527 29.460 -0.368 0.000 1.159 570 W HN 0.159 nan 8.180 nan 0.000 0.478 571 V N 2.513 122.175 119.914 -0.419 0.000 2.656 571 V HA 0.229 4.364 4.120 0.024 0.000 0.307 571 V C -0.825 175.090 176.094 -0.298 0.000 1.051 571 V CA -0.826 61.201 62.300 -0.454 0.000 0.893 571 V CB 1.499 33.169 31.823 -0.254 0.000 0.999 571 V HN -0.101 nan 8.190 nan 0.000 0.426 572 D N 4.142 124.371 120.400 -0.284 0.000 2.488 572 D HA 0.088 4.742 4.640 0.024 0.000 0.238 572 D C 0.244 176.421 176.300 -0.205 0.000 1.138 572 D CA 0.692 54.583 54.000 -0.181 0.000 0.873 572 D CB 0.901 41.678 40.800 -0.039 0.000 1.183 572 D HN 0.620 nan 8.370 nan 0.000 0.458 573 Q N 1.169 120.784 119.800 -0.308 0.000 3.207 573 Q HA 0.144 4.499 4.340 0.024 0.000 0.335 573 Q C -0.147 175.814 176.000 -0.065 0.000 1.374 573 Q CA -0.377 55.031 55.803 -0.658 0.000 1.023 573 Q CB 0.147 28.552 28.738 -0.554 0.000 1.576 573 Q HN 0.348 nan 8.270 nan 0.000 0.515 574 S N -0.165 115.611 115.700 0.127 0.000 2.616 574 S HA 0.627 5.111 4.470 0.024 0.000 0.277 574 S C -0.120 174.663 174.600 0.305 0.000 1.234 574 S CA -0.785 57.600 58.200 0.308 0.000 1.028 574 S CB 1.464 64.827 63.200 0.273 0.000 0.988 574 S HN 0.334 nan 8.310 nan 0.000 0.522 575 L N 1.775 123.095 121.223 0.162 0.000 2.342 575 L HA 0.524 4.878 4.340 0.024 0.000 0.271 575 L C -0.395 176.388 176.870 -0.145 0.000 1.008 575 L CA -1.218 53.585 54.840 -0.061 0.000 0.818 575 L CB 1.372 43.256 42.059 -0.291 0.000 1.296 575 L HN 0.546 nan 8.230 nan 0.000 0.427 576 I N 2.323 122.746 120.570 -0.246 0.000 2.474 576 I HA 0.251 4.436 4.170 0.024 0.000 0.287 576 I C 0.130 175.838 176.117 -0.681 0.000 1.048 576 I CA -0.014 61.011 61.300 -0.459 0.000 1.383 576 I CB 1.044 38.778 38.000 -0.443 0.000 1.412 576 I HN 0.565 nan 8.210 nan 0.000 0.531 577 K N 5.406 125.128 120.400 -1.129 0.000 2.340 577 K HA 0.539 4.874 4.320 0.024 0.000 0.244 577 K C -1.527 174.217 176.600 -1.426 0.000 0.973 577 K CA -0.678 54.810 56.287 -1.331 0.000 0.828 577 K CB 2.345 33.790 32.500 -1.758 0.000 1.226 577 K HN 0.264 nan 8.250 nan 0.000 0.437 578 Y N 1.074 121.131 120.300 -0.406 0.000 2.364 578 Y HA 0.120 4.685 4.550 0.024 0.000 0.340 578 Y C 0.292 176.276 175.900 0.140 0.000 0.975 578 Y CA -0.977 57.066 58.100 -0.094 0.000 1.089 578 Y CB 1.299 39.717 38.460 -0.070 0.000 1.192 578 Y HN 0.691 nan 8.280 nan 0.000 0.454 579 D N 0.515 121.166 120.400 0.419 0.000 2.447 579 D HA 0.031 4.686 4.640 0.024 0.000 0.265 579 D C 0.783 177.199 176.300 0.194 0.000 1.250 579 D CA -0.256 53.946 54.000 0.336 0.000 1.046 579 D CB 0.523 41.463 40.800 0.234 0.000 1.095 579 D HN 0.622 nan 8.370 nan 0.000 0.555 580 E N -0.361 119.912 120.200 0.121 0.000 2.086 580 E HA -0.216 4.149 4.350 0.024 0.000 0.200 580 E C 1.152 177.790 176.600 0.065 0.000 1.012 580 E CA 1.339 57.782 56.400 0.073 0.000 0.812 580 E CB -0.389 29.335 29.700 0.040 0.000 0.743 580 E HN 0.469 nan 8.360 nan 0.000 0.453 581 N N 0.047 118.790 118.700 0.071 0.000 2.501 581 N HA -0.005 4.750 4.740 0.024 0.000 0.195 581 N C 1.034 176.587 175.510 0.071 0.000 1.213 581 N CA 0.938 54.023 53.050 0.058 0.000 0.864 581 N CB 0.670 39.189 38.487 0.052 0.000 0.999 581 N HN 0.329 nan 8.380 nan 0.000 0.454 582 G N 0.588 109.449 108.800 0.102 0.000 2.143 582 G HA2 -0.260 3.714 3.960 0.024 0.000 0.248 582 G HA3 -0.260 3.714 3.960 0.024 0.000 0.248 582 G C -0.234 174.788 174.900 0.204 0.000 0.991 582 G CA -0.288 44.871 45.100 0.099 0.000 0.689 582 G HN 0.331 nan 8.290 nan 0.000 0.522 583 N N 0.995 119.833 118.700 0.231 0.000 2.487 583 N HA 0.566 5.321 4.740 0.024 0.000 0.292 583 N C -2.791 172.889 175.510 0.284 0.000 1.108 583 N CA -1.353 51.838 53.050 0.235 0.000 0.956 583 N CB 1.802 40.388 38.487 0.165 0.000 1.176 583 N HN 0.072 nan 8.380 nan 0.000 0.484 584 P HA 0.403 nan 4.420 nan 0.000 0.286 584 P C -0.641 176.653 177.300 -0.010 0.000 1.261 584 P CA -0.442 62.583 63.100 -0.126 0.000 0.821 584 P CB 0.779 32.376 31.700 -0.171 0.000 1.013 585 W N -0.825 120.256 121.300 -0.366 0.000 3.213 585 W HA 0.467 5.141 4.660 0.024 0.000 0.318 585 W C -1.519 174.818 176.519 -0.305 0.000 1.248 585 W CA -1.008 56.121 57.345 -0.360 0.000 1.187 585 W CB 0.345 29.372 29.460 -0.723 0.000 1.403 585 W HN 0.076 nan 8.180 nan 0.000 0.556 586 S N 1.606 117.388 115.700 0.136 0.000 2.465 586 S HA 0.585 5.069 4.470 0.024 0.000 0.279 586 S C 0.167 174.957 174.600 0.315 0.000 1.201 586 S CA -0.243 58.037 58.200 0.133 0.000 1.053 586 S CB 0.810 64.145 63.200 0.225 0.000 0.953 586 S HN 0.601 nan 8.310 nan 0.000 0.488 587 A N 3.150 126.019 122.820 0.083 0.000 2.320 587 A HA 0.875 5.210 4.320 0.024 0.000 0.334 587 A C -0.652 177.211 177.584 0.465 0.000 1.147 587 A CA -0.709 51.421 52.037 0.154 0.000 0.820 587 A CB 0.608 19.442 19.000 -0.277 0.000 1.218 587 A HN 0.836 nan 8.150 nan 0.000 0.482 588 Y N -0.523 120.106 120.300 0.548 0.000 3.048 588 Y HA 0.776 5.340 4.550 0.024 0.000 0.305 588 Y C 0.720 176.970 175.900 0.583 0.000 1.538 588 Y CA -1.385 57.023 58.100 0.512 0.000 1.082 588 Y CB -0.155 38.439 38.460 0.224 0.000 1.388 588 Y HN 0.886 nan 8.280 nan 0.000 0.557 589 G N -0.259 108.933 108.800 0.654 0.000 2.321 589 G HA2 0.364 4.339 3.960 0.024 0.000 0.237 589 G HA3 0.364 4.339 3.960 0.024 0.000 0.237 589 G C 0.948 176.171 174.900 0.539 0.000 1.282 589 G CA 0.469 45.883 45.100 0.523 0.000 0.886 589 G HN 1.955 nan 8.290 nan 0.000 0.528 590 G N 2.101 111.183 108.800 0.469 0.000 2.268 590 G HA2 -0.287 3.687 3.960 0.024 0.000 0.240 590 G HA3 -0.287 3.687 3.960 0.024 0.000 0.240 590 G C 0.953 176.038 174.900 0.308 0.000 1.010 590 G CA 0.685 45.992 45.100 0.347 0.000 0.618 590 G HN 0.640 nan 8.290 nan 0.000 0.516 591 D N -0.034 120.561 120.400 0.324 0.000 2.378 591 D HA 0.087 4.741 4.640 0.024 0.000 0.222 591 D C 1.307 177.388 176.300 -0.364 0.000 0.980 591 D CA 0.646 54.658 54.000 0.020 0.000 0.907 591 D CB -0.207 40.558 40.800 -0.059 0.000 0.899 591 D HN 0.494 nan 8.370 nan 0.000 0.527 592 F N -0.902 119.161 119.950 0.187 0.000 2.654 592 F HA 0.305 4.847 4.527 0.024 0.000 0.303 592 F C 1.800 177.678 175.800 0.130 0.000 1.099 592 F CA -0.174 57.898 58.000 0.119 0.000 1.270 592 F CB 0.696 39.760 39.000 0.107 0.000 1.024 592 F HN -0.061 nan 8.300 nan 0.000 0.548 593 G N 0.430 109.368 108.800 0.230 0.000 2.184 593 G HA2 -0.289 3.685 3.960 0.024 0.000 0.264 593 G HA3 -0.289 3.685 3.960 0.024 0.000 0.264 593 G C -0.188 174.842 174.900 0.217 0.000 0.975 593 G CA 0.211 45.421 45.100 0.185 0.000 0.642 593 G HN 0.407 nan 8.290 nan 0.000 0.536 594 D N 0.493 121.074 120.400 0.301 0.000 2.450 594 D HA 0.467 5.122 4.640 0.024 0.000 0.247 594 D C 0.171 176.591 176.300 0.200 0.000 1.162 594 D CA 1.031 55.196 54.000 0.276 0.000 0.879 594 D CB 1.506 42.530 40.800 0.374 0.000 1.163 594 D HN 0.344 nan 8.370 nan 0.000 0.472 595 T N 1.186 115.827 114.554 0.146 0.000 3.041 595 T HA 0.459 4.824 4.350 0.024 0.000 0.321 595 T C -2.723 172.015 174.700 0.063 0.000 1.184 595 T CA -1.144 61.014 62.100 0.096 0.000 1.050 595 T CB 1.289 70.213 68.868 0.093 0.000 1.159 595 T HN 0.228 nan 8.240 nan 0.000 0.469 596 P HA 0.601 nan 4.420 nan 0.000 0.279 596 P C -0.995 176.301 177.300 -0.007 0.000 1.282 596 P CA -0.484 62.621 63.100 0.008 0.000 0.788 596 P CB 0.450 32.132 31.700 -0.031 0.000 1.139 597 N N -2.479 116.209 118.700 -0.020 0.000 2.934 597 N HA 0.280 5.035 4.740 0.024 0.000 0.253 597 N C -1.246 174.204 175.510 -0.100 0.000 1.466 597 N CA -0.773 52.235 53.050 -0.070 0.000 0.858 597 N CB 0.519 39.059 38.487 0.088 0.000 1.459 597 N HN 0.070 nan 8.380 nan 0.000 0.532 598 D N -0.218 120.064 120.400 -0.197 0.000 2.755 598 D HA 0.140 4.795 4.640 0.024 0.000 0.257 598 D C 0.432 176.930 176.300 0.329 0.000 1.291 598 D CA -0.157 53.824 54.000 -0.032 0.000 0.836 598 D CB 0.112 40.763 40.800 -0.249 0.000 1.059 598 D HN 0.696 nan 8.370 nan 0.000 0.486 599 R N 0.859 121.544 120.500 0.308 0.000 3.587 599 R HA -0.332 4.022 4.340 0.024 0.000 0.556 599 R C 1.212 177.541 176.300 0.049 0.000 0.241 599 R CA 1.529 57.806 56.100 0.294 0.000 1.724 599 R CB -1.572 28.822 30.300 0.156 0.000 0.885 599 R HN 0.169 nan 8.270 nan 0.000 0.613 600 Q N 1.521 121.035 119.800 -0.477 0.000 2.515 600 Q HA -0.033 4.321 4.340 0.024 0.000 0.212 600 Q C 1.657 177.350 176.000 -0.511 0.000 0.970 600 Q CA 1.454 56.768 55.803 -0.816 0.000 0.941 600 Q CB -0.029 28.009 28.738 -1.168 0.000 0.998 600 Q HN 0.620 nan 8.270 nan 0.000 0.518 601 F N 1.470 121.337 119.950 -0.138 0.000 2.494 601 F HA -0.117 4.424 4.527 0.024 0.000 0.298 601 F C 2.230 177.952 175.800 -0.131 0.000 1.106 601 F CA 1.060 59.053 58.000 -0.012 0.000 1.452 601 F CB -0.146 38.913 39.000 0.098 0.000 1.085 601 F HN 0.415 nan 8.300 nan 0.000 0.569 602 C N -1.321 117.679 119.300 -0.501 0.000 2.576 602 C HA 0.248 4.722 4.460 0.024 0.000 0.267 602 C C 0.941 175.731 174.990 -0.332 0.000 1.364 602 C CA -0.517 58.045 59.018 -0.760 0.000 1.723 602 C CB -1.683 25.067 27.740 -1.651 0.000 1.778 602 C HN 0.184 nan 8.230 nan 0.000 0.572 603 M N 2.618 122.076 119.600 -0.237 0.000 2.036 603 M HA 0.289 4.783 4.480 0.024 0.000 0.337 603 M C -0.499 175.711 176.300 -0.150 0.000 1.012 603 M CA 0.300 55.505 55.300 -0.159 0.000 0.962 603 M CB 0.238 32.772 32.600 -0.110 0.000 1.423 603 M HN 0.350 nan 8.290 nan 0.000 0.405 604 N N 0.748 119.362 118.700 -0.143 0.000 2.240 604 N HA 0.207 4.961 4.740 0.024 0.000 0.240 604 N C 0.333 175.661 175.510 -0.303 0.000 1.277 604 N CA -0.519 52.415 53.050 -0.194 0.000 0.873 604 N CB 1.197 39.666 38.487 -0.030 0.000 1.222 604 N HN 0.647 nan 8.380 nan 0.000 0.507 605 G N -0.047 108.525 108.800 -0.379 0.000 2.476 605 G HA2 0.368 4.343 3.960 0.024 0.000 0.286 605 G HA3 0.368 4.343 3.960 0.024 0.000 0.286 605 G C 0.641 175.024 174.900 -0.860 0.000 1.177 605 G CA -0.562 44.192 45.100 -0.576 0.000 0.870 605 G HN 0.108 nan 8.290 nan 0.000 0.528 606 L N 0.032 120.775 121.223 -0.800 0.000 2.313 606 L HA 0.103 4.457 4.340 0.024 0.000 0.214 606 L C 0.955 177.191 176.870 -1.057 0.000 1.119 606 L CA 0.383 54.758 54.840 -0.776 0.000 0.809 606 L CB -0.236 41.506 42.059 -0.529 0.000 0.933 606 L HN 0.406 nan 8.230 nan 0.000 0.449 607 V N -5.150 114.054 119.914 -1.184 0.000 2.960 607 V HA 0.463 4.597 4.120 0.024 0.000 0.315 607 V C -0.215 175.473 176.094 -0.677 0.000 1.087 607 V CA -1.274 60.501 62.300 -0.874 0.000 0.982 607 V CB 1.555 32.902 31.823 -0.794 0.000 1.039 607 V HN -0.159 nan 8.190 nan 0.000 0.437 608 F N 1.167 121.044 119.950 -0.122 0.000 2.440 608 F HA 0.561 5.102 4.527 0.024 0.000 0.323 608 F C 1.924 177.675 175.800 -0.082 0.000 1.192 608 F CA 0.587 58.604 58.000 0.028 0.000 1.252 608 F CB 1.032 40.052 39.000 0.033 0.000 1.214 608 F HN 0.777 nan 8.300 nan 0.000 0.578 609 A N 0.866 123.797 122.820 0.185 0.000 1.986 609 A HA -0.248 4.087 4.320 0.024 0.000 0.220 609 A C 1.624 179.205 177.584 -0.005 0.000 1.171 609 A CA 2.040 54.131 52.037 0.091 0.000 0.640 609 A CB -0.960 18.127 19.000 0.144 0.000 0.811 609 A HN 0.795 nan 8.150 nan 0.000 0.451 610 D N -3.150 117.265 120.400 0.025 0.000 2.319 610 D HA 0.167 4.822 4.640 0.024 0.000 0.230 610 D C 0.686 176.988 176.300 0.003 0.000 1.094 610 D CA 0.027 54.009 54.000 -0.029 0.000 0.856 610 D CB -0.001 40.780 40.800 -0.031 0.000 0.915 610 D HN 0.231 nan 8.370 nan 0.000 0.517 611 R N -2.016 118.489 120.500 0.008 0.000 3.489 611 R HA -0.121 4.234 4.340 0.024 0.000 0.489 611 R C -0.069 176.246 176.300 0.026 0.000 0.770 611 R CA 1.200 57.302 56.100 0.003 0.000 1.404 611 R CB -3.121 27.214 30.300 0.059 0.000 2.091 611 R HN 0.268 nan 8.270 nan 0.000 0.456 612 T N 3.001 117.607 114.554 0.087 0.000 2.916 612 T HA 0.366 4.730 4.350 0.024 0.000 0.303 612 T C -2.321 172.491 174.700 0.187 0.000 1.025 612 T CA -0.667 61.507 62.100 0.123 0.000 1.142 612 T CB 1.070 70.007 68.868 0.116 0.000 0.947 612 T HN -0.087 nan 8.240 nan 0.000 0.544 613 P HA 0.226 nan 4.420 nan 0.000 0.277 613 P C -0.117 177.262 177.300 0.131 0.000 1.240 613 P CA -0.363 62.754 63.100 0.028 0.000 0.798 613 P CB 0.496 32.207 31.700 0.018 0.000 0.979 614 H N 2.012 120.939 119.070 -0.238 0.000 2.508 614 H HA 0.129 4.699 4.556 0.024 0.000 0.358 614 H C -1.285 173.957 175.328 -0.144 0.000 1.212 614 H CA -1.926 53.951 56.048 -0.285 0.000 1.356 614 H CB 0.336 29.883 29.762 -0.359 0.000 1.525 614 H HN 0.327 nan 8.280 nan 0.000 0.578 615 P HA -0.156 nan 4.420 nan 0.000 0.218 615 P C 1.160 178.467 177.300 0.012 0.000 1.148 615 P CA 1.414 64.516 63.100 0.003 0.000 0.822 615 P CB -0.017 31.684 31.700 0.002 0.000 0.784 616 A N -0.394 122.436 122.820 0.017 0.000 2.024 616 A HA -0.197 4.138 4.320 0.024 0.000 0.220 616 A C 2.083 179.615 177.584 -0.087 0.000 1.164 616 A CA 1.357 53.361 52.037 -0.054 0.000 0.643 616 A CB -1.627 17.316 19.000 -0.094 0.000 0.806 616 A HN 0.181 nan 8.150 nan 0.000 0.451 617 L N -0.633 120.555 121.223 -0.059 0.000 2.127 617 L HA -0.122 4.233 4.340 0.024 0.000 0.211 617 L C 2.502 179.410 176.870 0.063 0.000 1.089 617 L CA 2.672 57.508 54.840 -0.006 0.000 0.757 617 L CB -0.870 41.185 42.059 -0.007 0.000 0.899 617 L HN 0.382 nan 8.230 nan 0.000 0.434 618 T N -1.731 112.865 114.554 0.071 0.000 2.904 618 T HA -0.175 4.189 4.350 0.024 0.000 0.267 618 T C 1.791 176.594 174.700 0.171 0.000 1.059 618 T CA 1.332 63.527 62.100 0.159 0.000 1.137 618 T CB -0.109 68.836 68.868 0.128 0.000 0.879 618 T HN 0.462 nan 8.240 nan 0.000 0.467 619 E N 0.753 120.994 120.200 0.069 0.000 2.106 619 E HA 0.081 4.446 4.350 0.024 0.000 0.192 619 E C 2.126 178.734 176.600 0.013 0.000 0.984 619 E CA 1.269 57.715 56.400 0.077 0.000 0.806 619 E CB -0.546 29.164 29.700 0.017 0.000 0.750 619 E HN 0.544 nan 8.360 nan 0.000 0.458 620 A N 0.870 123.585 122.820 -0.174 0.000 1.873 620 A HA -0.193 4.142 4.320 0.024 0.000 0.215 620 A C 2.156 179.620 177.584 -0.200 0.000 1.186 620 A CA 1.797 53.670 52.037 -0.273 0.000 0.616 620 A CB -0.570 18.272 19.000 -0.262 0.000 0.823 620 A HN 0.242 nan 8.150 nan 0.000 0.442 621 K N -1.232 119.128 120.400 -0.066 0.000 2.032 621 K HA -0.288 4.047 4.320 0.024 0.000 0.209 621 K C 2.081 178.588 176.600 -0.154 0.000 1.048 621 K CA 2.039 58.302 56.287 -0.040 0.000 0.927 621 K CB -0.350 32.287 32.500 0.228 0.000 0.712 621 K HN 0.641 nan 8.250 nan 0.000 0.441 622 H N 0.370 119.277 119.070 -0.273 0.000 2.326 622 H HA -0.030 4.540 4.556 0.024 0.000 0.301 622 H C 1.954 177.017 175.328 -0.442 0.000 1.081 622 H CA 1.826 57.510 56.048 -0.606 0.000 1.334 622 H CB 0.082 29.532 29.762 -0.519 0.000 1.385 622 H HN 0.236 nan 8.280 nan 0.000 0.504 623 Q N 0.196 119.788 119.800 -0.347 0.000 2.291 623 Q HA -0.093 4.261 4.340 0.024 0.000 0.205 623 Q C 1.516 177.003 176.000 -0.855 0.000 0.970 623 Q CA 1.109 56.619 55.803 -0.488 0.000 0.876 623 Q CB 0.048 28.650 28.738 -0.228 0.000 0.935 623 Q HN 0.713 nan 8.270 nan 0.000 0.455 624 Q N 0.141 119.382 119.800 -0.932 0.000 2.322 624 Q HA 0.071 4.426 4.340 0.024 0.000 0.203 624 Q C -0.048 175.385 176.000 -0.945 0.000 0.923 624 Q CA -0.207 54.891 55.803 -1.175 0.000 0.949 624 Q CB 0.304 28.386 28.738 -1.093 0.000 1.039 624 Q HN 0.368 nan 8.270 nan 0.000 0.496 625 Q N -0.473 118.926 119.800 -0.668 0.000 2.428 625 Q HA -0.040 4.314 4.340 0.024 0.000 0.276 625 Q C -0.146 175.484 176.000 -0.616 0.000 1.059 625 Q CA 0.430 55.969 55.803 -0.441 0.000 0.923 625 Q CB 0.466 29.028 28.738 -0.294 0.000 1.283 625 Q HN 0.313 nan 8.270 nan 0.000 0.447 626 F N 0.446 120.169 119.950 -0.377 0.000 2.727 626 F HA 0.233 4.774 4.527 0.023 0.000 0.302 626 F C -0.202 174.997 175.800 -1.002 0.000 1.097 626 F CA -0.020 57.501 58.000 -0.799 0.000 1.330 626 F CB 0.557 38.787 39.000 -1.283 0.000 1.084 626 F HN 0.297 nan 8.300 nan 0.000 0.578 627 F N 0.257 120.121 119.950 -0.143 0.000 2.547 627 F HA 0.464 5.006 4.527 0.025 0.000 0.316 627 F C -0.157 175.299 175.800 -0.574 0.000 1.121 627 F CA -1.117 56.697 58.000 -0.309 0.000 0.911 627 F CB 1.389 40.240 39.000 -0.248 0.000 1.179 627 F HN -0.335 nan 8.300 nan 0.000 0.443 628 Q N 2.940 122.488 119.800 -0.420 0.000 2.257 628 Q HA 0.603 4.958 4.340 0.024 0.000 0.262 628 Q C -1.320 174.381 176.000 -0.498 0.000 0.997 628 Q CA -0.635 54.954 55.803 -0.356 0.000 0.873 628 Q CB 2.821 31.476 28.738 -0.139 0.000 1.312 628 Q HN 0.542 nan 8.270 nan 0.000 0.450 629 F N -0.100 119.976 119.950 0.209 0.000 2.588 629 F HA 0.609 5.151 4.527 0.025 0.000 0.314 629 F C 0.231 176.260 175.800 0.382 0.000 1.069 629 F CA -0.869 57.326 58.000 0.324 0.000 0.931 629 F CB 2.073 41.398 39.000 0.542 0.000 1.260 629 F HN 0.169 nan 8.300 nan 0.000 0.465 630 R N 1.197 121.988 120.500 0.485 0.000 2.771 630 R HA 0.754 5.108 4.340 0.024 0.000 0.274 630 R C -2.001 174.332 176.300 0.054 0.000 0.987 630 R CA -1.198 55.100 56.100 0.330 0.000 0.908 630 R CB 2.947 33.346 30.300 0.165 0.000 1.213 630 R HN 0.581 nan 8.270 nan 0.000 0.468 631 L N 0.299 121.437 121.223 -0.142 0.000 2.365 631 L HA 0.627 4.982 4.340 0.024 0.000 0.273 631 L C -1.111 175.606 176.870 -0.255 0.000 1.000 631 L CA 0.051 54.599 54.840 -0.486 0.000 0.819 631 L CB 2.253 43.572 42.059 -1.233 0.000 1.284 631 L HN 0.543 nan 8.230 nan 0.000 0.418 632 S N 3.372 118.936 115.700 -0.228 0.000 2.680 632 S HA 0.661 5.145 4.470 0.024 0.000 0.262 632 S C 0.136 174.644 174.600 -0.154 0.000 1.138 632 S CA 0.211 58.322 58.200 -0.147 0.000 1.072 632 S CB 0.287 63.435 63.200 -0.086 0.000 1.097 632 S HN 1.576 nan 8.310 nan 0.000 0.468 633 G N 4.311 113.021 108.800 -0.150 0.000 2.565 633 G HA2 -0.329 3.645 3.960 0.024 0.000 0.295 633 G HA3 -0.329 3.645 3.960 0.024 0.000 0.295 633 G C 0.403 175.195 174.900 -0.179 0.000 1.165 633 G CA 0.883 45.900 45.100 -0.138 0.000 0.977 633 G HN 0.712 nan 8.290 nan 0.000 0.546 634 Q N 1.020 120.718 119.800 -0.169 0.000 2.198 634 Q HA 0.391 4.745 4.340 0.024 0.000 0.209 634 Q C 0.185 176.050 176.000 -0.225 0.000 0.848 634 Q CA 0.716 56.391 55.803 -0.213 0.000 0.974 634 Q CB 0.429 29.055 28.738 -0.187 0.000 1.115 634 Q HN 0.583 nan 8.270 nan 0.000 0.494 635 T N 0.557 114.995 114.554 -0.194 0.000 2.744 635 T HA 0.465 4.829 4.350 0.024 0.000 0.291 635 T C -0.128 174.453 174.700 -0.198 0.000 0.957 635 T CA -0.295 61.706 62.100 -0.165 0.000 1.002 635 T CB 0.845 69.649 68.868 -0.107 0.000 0.919 635 T HN 0.109 nan 8.240 nan 0.000 0.468 636 I N 2.871 123.340 120.570 -0.168 0.000 2.339 636 I HA 0.314 4.498 4.170 0.024 0.000 0.290 636 I C 0.420 176.541 176.117 0.005 0.000 0.994 636 I CA -0.610 60.615 61.300 -0.125 0.000 1.191 636 I CB 1.479 39.429 38.000 -0.083 0.000 1.343 636 I HN 0.597 nan 8.210 nan 0.000 0.458 637 E N 6.754 126.989 120.200 0.058 0.000 2.113 637 E HA 0.434 4.799 4.350 0.024 0.000 0.273 637 E C -1.540 175.151 176.600 0.152 0.000 0.924 637 E CA -0.595 55.855 56.400 0.085 0.000 0.764 637 E CB 1.647 31.382 29.700 0.057 0.000 1.104 637 E HN 0.345 nan 8.360 nan 0.000 0.406 638 V N 4.296 124.287 119.914 0.129 0.000 2.394 638 V HA 0.311 4.446 4.120 0.024 0.000 0.282 638 V C 0.000 176.120 176.094 0.042 0.000 1.031 638 V CA -0.470 61.876 62.300 0.076 0.000 0.881 638 V CB 1.682 33.577 31.823 0.121 0.000 0.982 638 V HN 0.712 nan 8.190 nan 0.000 0.451 639 T N 3.297 117.840 114.554 -0.019 0.000 2.829 639 T HA 0.340 4.704 4.350 0.024 0.000 0.280 639 T C -0.071 174.649 174.700 0.034 0.000 0.999 639 T CA -0.281 61.824 62.100 0.010 0.000 0.983 639 T CB 1.612 70.461 68.868 -0.030 0.000 0.968 639 T HN 0.645 nan 8.240 nan 0.000 0.446 640 S N 1.528 117.255 115.700 0.046 0.000 2.499 640 S HA 0.208 4.693 4.470 0.024 0.000 0.279 640 S C 0.770 175.251 174.600 -0.199 0.000 1.219 640 S CA -0.550 57.610 58.200 -0.068 0.000 1.062 640 S CB 0.509 63.726 63.200 0.027 0.000 0.978 640 S HN 0.716 nan 8.310 nan 0.000 0.489 641 E N 3.148 123.118 120.200 -0.383 0.000 2.463 641 E HA 0.087 4.451 4.350 0.024 0.000 0.193 641 E C -0.762 175.645 176.600 -0.322 0.000 1.041 641 E CA -0.113 56.100 56.400 -0.312 0.000 0.879 641 E CB 0.287 29.793 29.700 -0.323 0.000 0.997 641 E HN 0.689 nan 8.360 nan 0.000 0.478 642 Y N 0.397 120.575 120.300 -0.204 0.000 2.480 642 Y HA -0.019 4.545 4.550 0.024 0.000 0.338 642 Y C 1.458 177.196 175.900 -0.271 0.000 1.220 642 Y CA 0.106 58.083 58.100 -0.205 0.000 1.430 642 Y CB 0.743 39.069 38.460 -0.224 0.000 1.311 642 Y HN -0.014 nan 8.280 nan 0.000 0.575 643 L N 1.298 122.359 121.223 -0.269 0.000 2.408 643 L HA 0.060 4.414 4.340 0.024 0.000 0.215 643 L C 0.717 177.188 176.870 -0.665 0.000 1.081 643 L CA 0.706 55.151 54.840 -0.659 0.000 0.840 643 L CB 0.033 41.319 42.059 -1.289 0.000 1.002 643 L HN 0.677 nan 8.230 nan 0.000 0.468 644 F N -0.527 119.438 119.950 0.024 0.000 2.729 644 F HA 0.201 4.742 4.527 0.022 0.000 0.304 644 F C 1.238 177.031 175.800 -0.012 0.000 1.008 644 F CA -0.786 57.208 58.000 -0.011 0.000 1.188 644 F CB 0.456 39.430 39.000 -0.044 0.000 0.980 644 F HN -0.134 nan 8.300 nan 0.000 0.627 645 R N 0.171 120.735 120.500 0.107 0.000 2.643 645 R HA 0.401 4.756 4.340 0.024 0.000 0.272 645 R C -0.620 175.689 176.300 0.016 0.000 0.995 645 R CA -0.634 55.481 56.100 0.025 0.000 1.032 645 R CB 0.827 31.035 30.300 -0.154 0.000 1.126 645 R HN 0.078 nan 8.270 nan 0.000 0.505 646 H N 0.504 119.571 119.070 -0.004 0.000 2.547 646 H HA 0.046 4.616 4.556 0.024 0.000 0.362 646 H C 0.197 175.547 175.328 0.037 0.000 1.181 646 H CA 0.313 56.386 56.048 0.041 0.000 1.376 646 H CB 1.606 31.395 29.762 0.045 0.000 1.488 646 H HN 0.773 nan 8.280 nan 0.000 0.583 647 S N 1.121 116.953 115.700 0.220 0.000 4.085 647 S HA -0.058 4.427 4.470 0.024 0.000 0.189 647 S C 0.303 175.007 174.600 0.174 0.000 1.392 647 S CA -0.594 57.753 58.200 0.246 0.000 0.972 647 S CB -0.809 62.591 63.200 0.334 0.000 1.482 647 S HN 0.560 nan 8.310 nan 0.000 0.446 648 D N 0.509 120.985 120.400 0.127 0.000 2.325 648 D HA 0.059 4.714 4.640 0.024 0.000 0.234 648 D C 0.295 176.635 176.300 0.068 0.000 1.122 648 D CA -0.229 53.825 54.000 0.091 0.000 0.850 648 D CB -0.369 40.469 40.800 0.063 0.000 0.921 648 D HN 0.488 nan 8.370 nan 0.000 0.513 649 N N 0.089 118.839 118.700 0.084 0.000 2.636 649 N HA 0.165 4.920 4.740 0.024 0.000 0.287 649 N C -1.561 174.014 175.510 0.107 0.000 1.817 649 N CA -0.188 52.907 53.050 0.074 0.000 0.842 649 N CB 0.336 38.855 38.487 0.053 0.000 1.353 649 N HN -0.042 nan 8.380 nan 0.000 0.500 650 E N 0.051 120.308 120.200 0.096 0.000 2.352 650 E HA 0.489 4.854 4.350 0.024 0.000 0.280 650 E C -1.304 175.332 176.600 0.060 0.000 0.930 650 E CA -0.741 55.711 56.400 0.086 0.000 0.765 650 E CB 2.096 31.833 29.700 0.062 0.000 1.219 650 E HN 0.270 nan 8.360 nan 0.000 0.434 651 L N 0.390 121.652 121.223 0.066 0.000 2.371 651 L HA 0.725 5.079 4.340 0.024 0.000 0.262 651 L C -1.487 175.446 176.870 0.106 0.000 1.006 651 L CA -1.190 53.697 54.840 0.080 0.000 0.818 651 L CB 1.503 43.612 42.059 0.084 0.000 1.354 651 L HN 0.588 nan 8.230 nan 0.000 0.415 652 L N 2.862 124.166 121.223 0.135 0.000 2.272 652 L HA 0.475 4.830 4.340 0.024 0.000 0.289 652 L C -0.516 176.501 176.870 0.244 0.000 1.032 652 L CA -0.077 54.877 54.840 0.189 0.000 0.810 652 L CB 0.800 42.977 42.059 0.197 0.000 1.205 652 L HN 0.680 nan 8.230 nan 0.000 0.422 653 H N 6.131 125.278 119.070 0.128 0.000 2.459 653 H HA 0.347 4.917 4.556 0.024 0.000 0.332 653 H C -1.662 173.748 175.328 0.138 0.000 1.094 653 H CA -0.632 55.447 56.048 0.053 0.000 1.224 653 H CB 1.018 30.772 29.762 -0.013 0.000 1.449 653 H HN 0.749 nan 8.280 nan 0.000 0.484 654 W N 5.364 126.359 121.300 -0.507 0.000 2.864 654 W HA 0.518 5.192 4.660 0.024 0.000 0.343 654 W C -1.886 174.404 176.519 -0.381 0.000 1.109 654 W CA -1.408 55.764 57.345 -0.290 0.000 1.192 654 W CB 1.339 30.730 29.460 -0.114 0.000 1.426 654 W HN 0.546 nan 8.180 nan 0.000 0.529 655 M N 2.442 122.099 119.600 0.095 0.000 2.365 655 M HA 0.640 5.135 4.480 0.024 0.000 0.287 655 M C -2.597 173.860 176.300 0.261 0.000 1.154 655 M CA -0.749 54.537 55.300 -0.024 0.000 0.941 655 M CB 1.696 34.208 32.600 -0.147 0.000 1.704 655 M HN 0.096 nan 8.290 nan 0.000 0.479 656 V N 2.966 123.044 119.914 0.273 0.000 2.495 656 V HA 1.026 5.161 4.120 0.024 0.000 0.298 656 V C -0.263 175.934 176.094 0.172 0.000 1.031 656 V CA -0.117 62.343 62.300 0.267 0.000 0.871 656 V CB 1.274 33.274 31.823 0.295 0.000 0.988 656 V HN 1.177 nan 8.190 nan 0.000 0.432 657 A N 4.431 127.363 122.820 0.187 0.000 2.475 657 A HA 0.873 5.207 4.320 0.024 0.000 0.301 657 A C -1.478 176.221 177.584 0.193 0.000 1.059 657 A CA -0.625 51.493 52.037 0.136 0.000 0.710 657 A CB 1.725 20.764 19.000 0.065 0.000 1.288 657 A HN 0.817 nan 8.150 nan 0.000 0.408 658 L N 1.826 123.133 121.223 0.139 0.000 2.262 658 L HA 0.456 4.810 4.340 0.024 0.000 0.288 658 L C -0.451 176.517 176.870 0.164 0.000 1.035 658 L CA 0.187 55.123 54.840 0.160 0.000 0.820 658 L CB 0.060 42.179 42.059 0.100 0.000 1.204 658 L HN 0.759 nan 8.230 nan 0.000 0.424 659 D N 4.867 125.437 120.400 0.283 0.000 2.704 659 D HA -0.228 4.426 4.640 0.024 0.000 0.232 659 D C 1.128 177.467 176.300 0.065 0.000 1.183 659 D CA 1.217 55.377 54.000 0.267 0.000 0.647 659 D CB -1.004 39.915 40.800 0.198 0.000 1.013 659 D HN 1.186 nan 8.370 nan 0.000 0.415 660 G N -0.250 108.539 108.800 -0.018 0.000 2.253 660 G HA2 -0.366 3.608 3.960 0.024 0.000 0.251 660 G HA3 -0.366 3.608 3.960 0.024 0.000 0.251 660 G C 0.216 175.029 174.900 -0.144 0.000 0.998 660 G CA 0.634 45.612 45.100 -0.203 0.000 0.621 660 G HN 0.524 nan 8.290 nan 0.000 0.524 661 K N 1.965 122.333 120.400 -0.052 0.000 2.262 661 K HA 0.509 4.843 4.320 0.024 0.000 0.282 661 K C -2.759 173.833 176.600 -0.013 0.000 1.066 661 K CA -2.029 54.233 56.287 -0.041 0.000 0.901 661 K CB 1.613 34.105 32.500 -0.012 0.000 1.089 661 K HN 0.044 nan 8.250 nan 0.000 0.476 662 P HA -0.077 nan 4.420 nan 0.000 0.262 662 P C -0.014 177.291 177.300 0.008 0.000 1.182 662 P CA 0.261 63.350 63.100 -0.018 0.000 0.761 662 P CB 0.561 32.235 31.700 -0.043 0.000 0.795 663 L N 1.560 122.805 121.223 0.035 0.000 2.624 663 L HA 0.466 4.820 4.340 0.024 0.000 0.222 663 L C 0.814 177.715 176.870 0.053 0.000 1.046 663 L CA 0.488 55.358 54.840 0.050 0.000 0.872 663 L CB 0.321 42.428 42.059 0.080 0.000 1.190 663 L HN 0.434 nan 8.230 nan 0.000 0.487 664 A N -0.629 122.226 122.820 0.059 0.000 2.567 664 A HA 0.612 4.947 4.320 0.024 0.000 0.291 664 A C -1.032 176.456 177.584 -0.160 0.000 1.048 664 A CA 0.207 52.265 52.037 0.036 0.000 0.661 664 A CB 1.437 20.566 19.000 0.215 0.000 1.288 664 A HN 0.101 nan 8.150 nan 0.000 0.424 665 S N -0.991 114.379 115.700 -0.550 0.000 2.636 665 S HA 0.944 5.428 4.470 0.024 0.000 0.266 665 S C -0.250 173.426 174.600 -1.539 0.000 1.147 665 S CA 0.128 57.483 58.200 -1.409 0.000 0.815 665 S CB 0.822 63.606 63.200 -0.694 0.000 1.119 665 S HN 2.713 nan 8.310 nan 0.000 0.470 666 G N -0.181 107.417 108.800 -2.003 0.000 2.488 666 G HA2 0.656 4.630 3.960 0.024 0.000 0.301 666 G HA3 0.656 4.630 3.960 0.024 0.000 0.301 666 G C -2.265 172.273 174.900 -0.602 0.000 1.339 666 G CA -0.444 44.126 45.100 -0.883 0.000 0.803 666 G HN 1.151 nan 8.290 nan 0.000 0.482 667 E N -1.259 118.921 120.200 -0.033 0.000 2.331 667 E HA 0.664 5.029 4.350 0.024 0.000 0.275 667 E C -1.743 174.968 176.600 0.186 0.000 0.895 667 E CA -0.949 55.527 56.400 0.127 0.000 0.753 667 E CB 2.594 32.392 29.700 0.163 0.000 1.216 667 E HN 0.496 nan 8.360 nan 0.000 0.434 668 V N 1.549 121.581 119.914 0.197 0.000 2.760 668 V HA 0.429 4.563 4.120 0.024 0.000 0.309 668 V C -2.528 173.641 176.094 0.125 0.000 1.077 668 V CA -1.987 60.409 62.300 0.160 0.000 0.910 668 V CB 2.008 33.934 31.823 0.171 0.000 1.008 668 V HN 0.670 nan 8.190 nan 0.000 0.424 669 P HA 0.317 nan 4.420 nan 0.000 0.275 669 P C -0.819 176.529 177.300 0.081 0.000 1.227 669 P CA -0.225 62.925 63.100 0.083 0.000 0.781 669 P CB 0.750 32.492 31.700 0.070 0.000 0.906 670 L N 2.990 124.255 121.223 0.070 0.000 2.275 670 L HA 0.313 4.667 4.340 0.024 0.000 0.288 670 L C 0.140 177.065 176.870 0.092 0.000 1.046 670 L CA 0.054 54.929 54.840 0.058 0.000 0.805 670 L CB 0.943 42.994 42.059 -0.013 0.000 1.193 670 L HN 0.369 nan 8.230 nan 0.000 0.426 671 D N 3.683 124.150 120.400 0.111 0.000 2.468 671 D HA 0.310 4.964 4.640 0.024 0.000 0.272 671 D C -1.232 175.172 176.300 0.173 0.000 1.221 671 D CA -0.169 53.925 54.000 0.156 0.000 0.860 671 D CB 0.871 41.749 40.800 0.130 0.000 1.190 671 D HN 0.057 nan 8.370 nan 0.000 0.509 672 V N 1.002 121.018 119.914 0.170 0.000 2.495 672 V HA 0.883 5.018 4.120 0.024 0.000 0.298 672 V C 0.894 176.904 176.094 -0.140 0.000 1.031 672 V CA -1.276 61.080 62.300 0.093 0.000 0.871 672 V CB 1.162 33.089 31.823 0.174 0.000 0.988 672 V HN 0.499 nan 8.190 nan 0.000 0.432 673 A N 6.268 128.874 122.820 -0.356 0.000 2.346 673 A HA 0.692 5.026 4.320 0.024 0.000 0.252 673 A C -2.227 175.138 177.584 -0.365 0.000 1.089 673 A CA -1.474 50.002 52.037 -0.935 0.000 0.797 673 A CB -0.223 18.553 19.000 -0.372 0.000 1.047 673 A HN 0.723 nan 8.150 nan 0.000 0.494 674 P HA 0.011 nan 4.420 nan 0.000 0.261 674 P C -0.535 176.707 177.300 -0.096 0.000 1.183 674 P CA 0.690 63.722 63.100 -0.112 0.000 0.761 674 P CB 0.662 32.315 31.700 -0.078 0.000 0.785 675 Q N -0.789 118.962 119.800 -0.082 0.000 2.324 675 Q HA -0.150 4.204 4.340 0.024 0.000 0.200 675 Q C 0.794 176.766 176.000 -0.047 0.000 0.645 675 Q CA 1.771 57.530 55.803 -0.074 0.000 1.377 675 Q CB -2.537 26.155 28.738 -0.076 0.000 1.486 675 Q HN 0.749 nan 8.270 nan 0.000 0.796 676 G N 0.296 109.072 108.800 -0.041 0.000 2.525 676 G HA2 0.524 4.499 3.960 0.024 0.000 0.287 676 G HA3 0.524 4.499 3.960 0.024 0.000 0.287 676 G C -0.153 174.756 174.900 0.015 0.000 1.350 676 G CA -0.437 44.655 45.100 -0.014 0.000 1.039 676 G HN -0.000 nan 8.290 nan 0.000 0.513 677 K N -0.877 119.540 120.400 0.028 0.000 2.443 677 K HA 0.469 4.804 4.320 0.024 0.000 0.251 677 K C -1.047 175.585 176.600 0.054 0.000 0.972 677 K CA -0.628 55.684 56.287 0.042 0.000 0.833 677 K CB 2.587 35.105 32.500 0.029 0.000 1.317 677 K HN 0.522 nan 8.250 nan 0.000 0.441 678 Q N 2.500 122.339 119.800 0.064 0.000 2.305 678 Q HA 0.403 4.757 4.340 0.024 0.000 0.271 678 Q C -1.686 174.348 176.000 0.057 0.000 1.046 678 Q CA -0.664 55.178 55.803 0.065 0.000 0.798 678 Q CB 1.481 30.267 28.738 0.080 0.000 1.286 678 Q HN 0.523 nan 8.270 nan 0.000 0.435 679 L N 4.696 125.943 121.223 0.039 0.000 2.295 679 L HA 0.578 4.933 4.340 0.024 0.000 0.285 679 L C -0.522 176.356 176.870 0.014 0.000 1.035 679 L CA -0.746 54.106 54.840 0.020 0.000 0.806 679 L CB 1.361 43.422 42.059 0.003 0.000 1.214 679 L HN 0.594 nan 8.230 nan 0.000 0.426 680 I N 2.458 123.025 120.570 -0.004 0.000 2.410 680 I HA 0.220 4.404 4.170 0.024 0.000 0.286 680 I C -0.302 175.764 176.117 -0.085 0.000 1.009 680 I CA -0.463 60.823 61.300 -0.023 0.000 1.111 680 I CB 2.015 40.012 38.000 -0.005 0.000 1.262 680 I HN 0.500 nan 8.210 nan 0.000 0.443 681 E N 5.995 126.147 120.200 -0.080 0.000 2.259 681 E HA 0.405 4.769 4.350 0.024 0.000 0.281 681 E C -0.695 175.788 176.600 -0.196 0.000 1.037 681 E CA -0.160 56.165 56.400 -0.125 0.000 0.854 681 E CB 0.927 30.574 29.700 -0.088 0.000 1.051 681 E HN 0.402 nan 8.360 nan 0.000 0.409 682 L N 5.794 126.836 121.223 -0.301 0.000 2.418 682 L HA 0.364 4.719 4.340 0.024 0.000 0.265 682 L C -1.854 174.838 176.870 -0.297 0.000 1.143 682 L CA -1.829 52.724 54.840 -0.478 0.000 0.809 682 L CB 0.762 42.431 42.059 -0.651 0.000 1.124 682 L HN 0.419 nan 8.230 nan 0.000 0.456 683 P HA 0.054 nan 4.420 nan 0.000 0.281 683 P C -0.717 176.529 177.300 -0.090 0.000 1.249 683 P CA -0.599 62.444 63.100 -0.095 0.000 0.810 683 P CB 0.590 32.295 31.700 0.009 0.000 1.008 684 E N 1.666 121.834 120.200 -0.053 0.000 3.495 684 E HA -0.148 4.216 4.350 0.024 0.000 0.272 684 E C -0.478 176.105 176.600 -0.027 0.000 0.845 684 E CA 0.639 57.016 56.400 -0.039 0.000 0.974 684 E CB -0.008 29.682 29.700 -0.017 0.000 0.919 684 E HN 0.341 nan 8.360 nan 0.000 0.556 685 L N 8.266 129.465 121.223 -0.040 0.000 2.399 685 L HA 0.191 4.546 4.340 0.024 0.000 0.257 685 L C -1.726 175.145 176.870 0.001 0.000 1.236 685 L CA -1.692 53.136 54.840 -0.020 0.000 1.144 685 L CB -0.144 41.897 42.059 -0.030 0.000 1.379 685 L HN 0.340 nan 8.230 nan 0.000 0.414 686 P HA -0.137 nan 4.420 nan 0.000 0.262 686 P C -0.001 177.310 177.300 0.019 0.000 1.151 686 P CA 0.223 63.335 63.100 0.020 0.000 0.757 686 P CB 0.498 32.218 31.700 0.033 0.000 0.754 687 Q N 3.593 123.401 119.800 0.012 0.000 3.159 687 Q HA 0.219 4.574 4.340 0.024 0.000 0.197 687 Q C -1.767 174.245 176.000 0.020 0.000 1.171 687 Q CA -0.227 55.583 55.803 0.012 0.000 1.232 687 Q CB -1.019 27.724 28.738 0.008 0.000 1.363 687 Q HN 0.515 nan 8.270 nan 0.000 0.699 688 P HA 0.291 nan 4.420 nan 0.000 0.349 688 P C -1.547 175.767 177.300 0.022 0.000 1.466 688 P CA -0.643 62.472 63.100 0.026 0.000 1.360 688 P CB 2.041 33.761 31.700 0.032 0.000 2.250 689 E N 1.325 121.539 120.200 0.024 0.000 2.079 689 E HA 0.501 4.865 4.350 0.024 0.000 0.252 689 E C -0.258 176.356 176.600 0.025 0.000 0.992 689 E CA -0.230 56.183 56.400 0.021 0.000 0.829 689 E CB 0.126 29.837 29.700 0.019 0.000 1.158 689 E HN 0.600 nan 8.360 nan 0.000 0.435 690 S N 0.133 115.849 115.700 0.026 0.000 2.998 690 S HA 0.215 4.700 4.470 0.024 0.000 0.237 690 S C -0.561 174.060 174.600 0.035 0.000 0.615 690 S CA -0.512 57.707 58.200 0.031 0.000 0.917 690 S CB -0.492 62.727 63.200 0.032 0.000 1.140 690 S HN 0.626 nan 8.310 nan 0.000 0.604 691 A N 1.880 124.722 122.820 0.037 0.000 2.406 691 A HA 0.893 5.228 4.320 0.024 0.000 0.243 691 A C 1.265 178.881 177.584 0.053 0.000 1.082 691 A CA 0.579 52.639 52.037 0.039 0.000 0.786 691 A CB -0.532 18.492 19.000 0.041 0.000 1.029 691 A HN 2.840 nan 8.150 nan 0.000 0.495 692 G N -0.815 108.018 108.800 0.056 0.000 2.351 692 G HA2 0.458 4.432 3.960 0.024 0.000 0.353 692 G HA3 0.458 4.432 3.960 0.024 0.000 0.353 692 G C -1.170 173.770 174.900 0.066 0.000 1.358 692 G CA -0.192 44.958 45.100 0.083 0.000 0.995 692 G HN 1.175 nan 8.290 nan 0.000 0.611 693 Q N -0.243 119.617 119.800 0.101 0.000 2.290 693 Q HA 0.737 5.092 4.340 0.024 0.000 0.259 693 Q C -0.432 175.619 176.000 0.084 0.000 0.941 693 Q CA -0.551 55.267 55.803 0.025 0.000 0.912 693 Q CB 1.281 30.013 28.738 -0.010 0.000 1.244 693 Q HN 0.581 nan 8.270 nan 0.000 0.441 694 L N 4.202 125.409 121.223 -0.026 0.000 2.350 694 L HA 0.516 4.871 4.340 0.024 0.000 0.275 694 L C -0.850 176.006 176.870 -0.024 0.000 1.099 694 L CA -0.383 54.494 54.840 0.061 0.000 0.808 694 L CB 0.785 42.863 42.059 0.031 0.000 1.149 694 L HN 0.684 nan 8.230 nan 0.000 0.442 695 W N 4.177 125.536 121.300 0.098 0.000 2.739 695 W HA 0.525 5.199 4.660 0.024 0.000 0.331 695 W C -0.891 175.726 176.519 0.163 0.000 1.049 695 W CA -0.525 56.901 57.345 0.134 0.000 1.234 695 W CB 1.656 31.221 29.460 0.175 0.000 1.404 695 W HN 0.103 nan 8.180 nan 0.000 0.477 696 L N 3.498 124.987 121.223 0.444 0.000 2.296 696 L HA 0.786 5.140 4.340 0.024 0.000 0.286 696 L C -0.328 176.834 176.870 0.486 0.000 1.023 696 L CA 0.167 55.252 54.840 0.408 0.000 0.812 696 L CB 1.273 43.537 42.059 0.342 0.000 1.223 696 L HN 0.336 nan 8.230 nan 0.000 0.421 697 T N 4.914 119.697 114.554 0.382 0.000 2.841 697 T HA 0.680 5.044 4.350 0.024 0.000 0.283 697 T C -0.760 174.112 174.700 0.287 0.000 1.000 697 T CA -0.445 61.841 62.100 0.309 0.000 0.977 697 T CB 1.657 70.651 68.868 0.210 0.000 0.979 697 T HN 0.626 nan 8.240 nan 0.000 0.446 698 V N 1.187 121.246 119.914 0.241 0.000 2.769 698 V HA 0.845 4.980 4.120 0.024 0.000 0.312 698 V C -0.891 175.289 176.094 0.143 0.000 1.061 698 V CA -1.104 61.300 62.300 0.173 0.000 0.931 698 V CB 1.946 33.818 31.823 0.082 0.000 1.010 698 V HN 0.842 nan 8.190 nan 0.000 0.433 699 R N 2.417 123.035 120.500 0.197 0.000 2.673 699 R HA 0.728 5.083 4.340 0.024 0.000 0.281 699 R C -1.748 174.703 176.300 0.251 0.000 0.991 699 R CA -0.812 55.444 56.100 0.259 0.000 0.896 699 R CB 2.682 33.123 30.300 0.236 0.000 1.201 699 R HN 0.655 nan 8.270 nan 0.000 0.457 700 V N 3.361 123.449 119.914 0.290 0.000 2.350 700 V HA 0.323 4.457 4.120 0.024 0.000 0.276 700 V C -0.132 176.086 176.094 0.206 0.000 1.028 700 V CA -0.589 61.847 62.300 0.227 0.000 0.860 700 V CB 1.585 33.531 31.823 0.206 0.000 0.990 700 V HN 0.431 nan 8.190 nan 0.000 0.453 701 V N 5.296 125.299 119.914 0.150 0.000 2.555 701 V HA 0.408 4.543 4.120 0.024 0.000 0.302 701 V C -0.243 175.923 176.094 0.119 0.000 1.038 701 V CA -0.768 61.603 62.300 0.119 0.000 0.887 701 V CB 2.014 33.876 31.823 0.065 0.000 0.991 701 V HN 0.892 nan 8.190 nan 0.000 0.434 702 Q N 5.718 125.600 119.800 0.137 0.000 2.390 702 Q HA 0.268 4.623 4.340 0.024 0.000 0.249 702 Q C -1.763 174.269 176.000 0.054 0.000 0.996 702 Q CA -1.793 54.078 55.803 0.112 0.000 0.899 702 Q CB 1.720 30.540 28.738 0.136 0.000 1.216 702 Q HN 0.474 nan 8.270 nan 0.000 0.465 703 P HA -0.174 nan 4.420 nan 0.000 0.218 703 P C -0.498 176.800 177.300 -0.003 0.000 1.149 703 P CA 1.135 64.244 63.100 0.015 0.000 0.817 703 P CB 0.363 32.073 31.700 0.017 0.000 0.785 704 N N -0.676 118.017 118.700 -0.012 0.000 2.456 704 N HA 0.452 5.206 4.740 0.024 0.000 0.296 704 N C -0.275 175.188 175.510 -0.079 0.000 1.102 704 N CA -0.727 52.302 53.050 -0.036 0.000 0.924 704 N CB 1.156 39.624 38.487 -0.030 0.000 1.186 704 N HN -0.069 nan 8.380 nan 0.000 0.492 705 A N 0.694 123.461 122.820 -0.089 0.000 2.346 705 A HA 0.506 4.840 4.320 0.024 0.000 0.252 705 A C 0.527 177.995 177.584 -0.195 0.000 1.089 705 A CA -0.017 51.932 52.037 -0.147 0.000 0.797 705 A CB 0.119 19.055 19.000 -0.106 0.000 1.047 705 A HN 0.702 nan 8.150 nan 0.000 0.494 706 T N -3.679 110.682 114.554 -0.322 0.000 2.716 706 T HA 0.612 4.976 4.350 0.024 0.000 0.286 706 T C 0.951 175.500 174.700 -0.252 0.000 1.052 706 T CA 0.095 61.998 62.100 -0.329 0.000 1.024 706 T CB 0.993 69.466 68.868 -0.657 0.000 1.349 706 T HN 1.452 nan 8.240 nan 0.000 0.525 707 A N -0.004 122.757 122.820 -0.098 0.000 2.070 707 A HA 0.079 4.414 4.320 0.024 0.000 0.220 707 A C 1.633 179.360 177.584 0.237 0.000 1.159 707 A CA 1.361 53.449 52.037 0.085 0.000 0.656 707 A CB -0.930 18.152 19.000 0.136 0.000 0.800 707 A HN 0.928 nan 8.150 nan 0.000 0.453 708 W N -0.912 120.455 121.300 0.111 0.000 2.714 708 W HA 0.431 5.106 4.660 0.025 0.000 0.353 708 W C -0.259 176.233 176.519 -0.045 0.000 0.999 708 W CA 0.460 57.843 57.345 0.062 0.000 1.629 708 W CB -0.932 28.560 29.460 0.054 0.000 1.106 708 W HN 0.405 nan 8.180 nan 0.000 0.545 709 S N -0.068 115.199 115.700 -0.722 0.000 2.570 709 S HA 0.491 4.975 4.470 0.024 0.000 0.270 709 S C -1.097 173.275 174.600 -0.382 0.000 1.149 709 S CA -0.717 57.094 58.200 -0.648 0.000 0.837 709 S CB 2.822 65.251 63.200 -1.285 0.000 1.124 709 S HN 0.100 nan 8.310 nan 0.000 0.465 710 E N 0.500 120.586 120.200 -0.190 0.000 2.280 710 E HA 0.633 4.997 4.350 0.024 0.000 0.264 710 E C 0.180 176.738 176.600 -0.071 0.000 1.064 710 E CA -0.888 55.454 56.400 -0.097 0.000 0.900 710 E CB 1.233 30.919 29.700 -0.023 0.000 1.123 710 E HN 0.888 nan 8.360 nan 0.000 0.418 711 A N 0.705 123.494 122.820 -0.052 0.000 2.531 711 A HA 0.374 4.709 4.320 0.024 0.000 0.236 711 A C 1.119 178.705 177.584 0.003 0.000 1.062 711 A CA 0.847 52.866 52.037 -0.030 0.000 0.760 711 A CB -0.563 18.422 19.000 -0.027 0.000 0.995 711 A HN 0.820 nan 8.150 nan 0.000 0.501 712 G N 0.594 109.406 108.800 0.021 0.000 2.175 712 G HA2 -0.242 3.732 3.960 0.024 0.000 0.244 712 G HA3 -0.242 3.732 3.960 0.024 0.000 0.244 712 G C 0.247 175.186 174.900 0.064 0.000 0.982 712 G CA 0.652 45.767 45.100 0.026 0.000 0.641 712 G HN 1.784 nan 8.290 nan 0.000 0.527 713 H N 0.712 119.782 119.070 -0.001 0.000 3.064 713 H HA 0.396 4.966 4.556 0.024 0.000 0.329 713 H C 0.756 176.154 175.328 0.117 0.000 1.020 713 H CA 0.512 56.587 56.048 0.046 0.000 1.402 713 H CB 0.169 29.934 29.762 0.004 0.000 1.379 713 H HN 0.311 nan 8.280 nan 0.000 0.594 714 I N 4.674 125.013 120.570 -0.384 0.000 2.325 714 I HA 0.036 4.221 4.170 0.024 0.000 0.291 714 I C 0.855 176.838 176.117 -0.224 0.000 1.019 714 I CA 0.082 61.284 61.300 -0.164 0.000 1.302 714 I CB 1.436 39.397 38.000 -0.065 0.000 1.401 714 I HN 0.781 nan 8.210 nan 0.000 0.485 715 S N 4.177 119.975 115.700 0.164 0.000 2.512 715 S HA 0.572 5.057 4.470 0.024 0.000 0.216 715 S C 0.384 175.276 174.600 0.486 0.000 1.006 715 S CA -0.085 58.357 58.200 0.403 0.000 0.915 715 S CB 0.599 64.165 63.200 0.610 0.000 0.824 715 S HN 0.701 nan 8.310 nan 0.000 0.497 716 A N 0.600 123.742 122.820 0.536 0.000 2.605 716 A HA 0.665 4.999 4.320 0.024 0.000 0.294 716 A C -1.802 176.164 177.584 0.636 0.000 1.062 716 A CA -0.888 51.445 52.037 0.494 0.000 0.682 716 A CB 0.437 19.785 19.000 0.579 0.000 1.278 716 A HN 0.941 nan 8.150 nan 0.000 0.410 717 W N 0.120 121.610 121.300 0.316 0.000 3.066 717 W HA 0.806 5.481 4.660 0.025 0.000 0.330 717 W C -1.225 175.347 176.519 0.089 0.000 1.253 717 W CA -0.611 56.805 57.345 0.119 0.000 1.187 717 W CB 1.226 30.732 29.460 0.076 0.000 1.434 717 W HN 0.990 nan 8.180 nan 0.000 0.572 718 Q N 1.140 120.958 119.800 0.029 0.000 2.527 718 Q HA 0.460 4.815 4.340 0.024 0.000 0.280 718 Q C -1.574 174.252 176.000 -0.290 0.000 0.977 718 Q CA -0.465 55.197 55.803 -0.235 0.000 0.837 718 Q CB 2.429 30.830 28.738 -0.561 0.000 1.454 718 Q HN 0.647 nan 8.270 nan 0.000 0.387 719 Q N 1.135 120.691 119.800 -0.406 0.000 2.451 719 Q HA 0.667 5.021 4.340 0.024 0.000 0.281 719 Q C -1.168 174.660 176.000 -0.287 0.000 1.099 719 Q CA -0.735 55.010 55.803 -0.097 0.000 0.806 719 Q CB 2.518 31.410 28.738 0.256 0.000 1.419 719 Q HN 0.605 nan 8.270 nan 0.000 0.427 720 W N 0.738 122.197 121.300 0.265 0.000 3.217 720 W HA 0.428 5.102 4.660 0.024 0.000 0.323 720 W C -0.534 175.900 176.519 -0.142 0.000 1.216 720 W CA -0.626 56.768 57.345 0.081 0.000 1.194 720 W CB 1.769 31.243 29.460 0.024 0.000 1.397 720 W HN 0.441 nan 8.180 nan 0.000 0.537 721 R N 1.666 122.021 120.500 -0.240 0.000 2.357 721 R HA 0.531 4.885 4.340 0.024 0.000 0.296 721 R C 0.488 176.627 176.300 -0.268 0.000 1.052 721 R CA -0.236 55.457 56.100 -0.677 0.000 0.988 721 R CB 1.300 31.123 30.300 -0.795 0.000 1.025 721 R HN 0.301 nan 8.270 nan 0.000 0.469 722 L N 1.141 122.222 121.223 -0.237 0.000 2.719 722 L HA 0.546 4.901 4.340 0.024 0.000 0.182 722 L C 0.650 177.433 176.870 -0.144 0.000 1.940 722 L CA -0.986 53.776 54.840 -0.131 0.000 2.839 722 L CB -0.132 41.886 42.059 -0.068 0.000 2.949 722 L HN 0.591 nan 8.230 nan 0.000 0.669 723 A N 0.101 122.864 122.820 -0.095 0.000 2.406 723 A HA 0.281 4.616 4.320 0.024 0.000 0.243 723 A C -0.373 177.158 177.584 -0.088 0.000 1.082 723 A CA 0.159 52.146 52.037 -0.083 0.000 0.786 723 A CB 0.340 19.310 19.000 -0.051 0.000 1.029 723 A HN 0.618 nan 8.150 nan 0.000 0.495 724 E N 0.340 120.496 120.200 -0.073 0.000 2.293 724 E HA 0.351 4.715 4.350 0.024 0.000 0.270 724 E C -1.525 175.060 176.600 -0.025 0.000 0.879 724 E CA -0.709 55.657 56.400 -0.057 0.000 0.756 724 E CB 1.072 30.727 29.700 -0.074 0.000 1.208 724 E HN 0.724 nan 8.360 nan 0.000 0.428 725 N N 5.080 123.777 118.700 -0.005 0.000 2.573 725 N HA 0.251 5.006 4.740 0.024 0.000 0.262 725 N C -0.591 174.927 175.510 0.013 0.000 1.029 725 N CA -0.391 52.661 53.050 0.004 0.000 0.882 725 N CB 1.281 39.773 38.487 0.009 0.000 1.204 725 N HN 0.411 nan 8.380 nan 0.000 0.519 726 L N 0.872 122.102 121.223 0.012 0.000 2.485 726 L HA 0.045 4.400 4.340 0.024 0.000 0.275 726 L C 1.385 178.271 176.870 0.025 0.000 1.207 726 L CA 0.247 55.100 54.840 0.021 0.000 0.855 726 L CB 0.266 42.336 42.059 0.019 0.000 1.114 726 L HN 0.392 nan 8.230 nan 0.000 0.485 727 S N 1.675 117.395 115.700 0.034 0.000 2.488 727 S HA 0.212 4.697 4.470 0.024 0.000 0.278 727 S C 0.666 175.284 174.600 0.030 0.000 1.259 727 S CA -0.746 57.474 58.200 0.034 0.000 1.061 727 S CB 0.642 63.867 63.200 0.041 0.000 0.910 727 S HN 0.480 nan 8.310 nan 0.000 0.491 728 V N 2.399 122.328 119.914 0.025 0.000 3.427 728 V HA 0.327 4.462 4.120 0.024 0.000 0.305 728 V C 0.649 176.755 176.094 0.021 0.000 1.412 728 V CA 0.084 62.397 62.300 0.022 0.000 1.086 728 V CB -0.583 31.250 31.823 0.017 0.000 0.964 728 V HN 0.856 nan 8.190 nan 0.000 0.439 729 T N 1.869 116.437 114.554 0.023 0.000 2.739 729 T HA 0.647 5.012 4.350 0.024 0.000 0.298 729 T C -0.124 174.590 174.700 0.023 0.000 0.929 729 T CA -0.545 61.568 62.100 0.022 0.000 1.014 729 T CB 0.439 69.320 68.868 0.022 0.000 0.914 729 T HN 0.368 nan 8.240 nan 0.000 0.509 730 L N 4.505 125.740 121.223 0.020 0.000 2.559 730 L HA 0.244 4.598 4.340 0.024 0.000 0.274 730 L C -0.713 176.168 176.870 0.018 0.000 1.205 730 L CA -1.175 53.677 54.840 0.019 0.000 0.907 730 L CB -1.242 40.827 42.059 0.017 0.000 1.153 730 L HN 0.357 nan 8.230 nan 0.000 0.490 731 P HA -0.134 nan 4.420 nan 0.000 0.222 731 P C 0.013 177.318 177.300 0.008 0.000 0.846 731 P CA 1.692 64.800 63.100 0.013 0.000 1.068 731 P CB -0.008 31.698 31.700 0.010 0.000 0.669 732 A N -3.097 119.726 122.820 0.005 0.000 2.489 732 A HA 0.579 4.914 4.320 0.024 0.000 0.293 732 A C -1.364 176.228 177.584 0.013 0.000 1.004 732 A CA -0.280 51.762 52.037 0.009 0.000 0.626 732 A CB -0.062 18.934 19.000 -0.006 0.000 1.345 732 A HN 0.418 nan 8.150 nan 0.000 0.447 733 A N 1.449 124.293 122.820 0.040 0.000 2.544 733 A HA 0.557 4.891 4.320 0.024 0.000 0.301 733 A C 0.650 178.288 177.584 0.089 0.000 1.368 733 A CA 0.473 52.547 52.037 0.061 0.000 1.045 733 A CB -1.085 17.958 19.000 0.072 0.000 1.129 733 A HN 1.600 nan 8.150 nan 0.000 0.540 734 S N 1.983 117.708 115.700 0.043 0.000 2.642 734 S HA -0.067 4.417 4.470 0.024 0.000 0.308 734 S C 1.200 175.891 174.600 0.152 0.000 1.255 734 S CA 0.270 58.490 58.200 0.033 0.000 1.057 734 S CB -0.138 63.072 63.200 0.017 0.000 0.785 734 S HN 0.818 nan 8.310 nan 0.000 0.500 735 H N 1.411 120.497 119.070 0.027 0.000 2.352 735 H HA -0.038 4.532 4.556 0.024 0.000 0.299 735 H C 1.109 176.453 175.328 0.027 0.000 1.097 735 H CA 0.874 56.937 56.048 0.025 0.000 1.311 735 H CB 0.214 29.992 29.762 0.026 0.000 1.377 735 H HN 0.664 nan 8.280 nan 0.000 0.504 736 A N 0.337 123.250 122.820 0.155 0.000 2.475 736 A HA 0.647 4.982 4.320 0.024 0.000 0.281 736 A C -1.201 176.429 177.584 0.077 0.000 1.263 736 A CA -0.664 51.434 52.037 0.101 0.000 0.776 736 A CB 1.481 20.543 19.000 0.103 0.000 1.347 736 A HN 0.105 nan 8.150 nan 0.000 0.443 737 I N 1.280 121.892 120.570 0.069 0.000 2.447 737 I HA 0.374 4.558 4.170 0.024 0.000 0.287 737 I C -2.422 173.741 176.117 0.077 0.000 1.023 737 I CA -1.956 59.378 61.300 0.057 0.000 1.083 737 I CB 2.241 40.269 38.000 0.047 0.000 1.245 737 I HN 0.379 nan 8.210 nan 0.000 0.434 738 P HA 0.060 nan 4.420 nan 0.000 0.272 738 P C -0.975 176.395 177.300 0.117 0.000 1.223 738 P CA 0.056 63.217 63.100 0.101 0.000 0.784 738 P CB 0.453 32.172 31.700 0.031 0.000 0.923 739 H N 2.111 121.218 119.070 0.062 0.000 2.457 739 H HA 0.442 5.012 4.556 0.024 0.000 0.335 739 H C -1.244 174.119 175.328 0.059 0.000 1.115 739 H CA -0.914 55.162 56.048 0.048 0.000 1.219 739 H CB 1.295 31.087 29.762 0.050 0.000 1.471 739 H HN 0.253 nan 8.280 nan 0.000 0.491 740 L N 4.419 125.213 121.223 -0.714 0.000 2.295 740 L HA 0.360 4.715 4.340 0.024 0.000 0.285 740 L C -0.845 175.716 176.870 -0.515 0.000 1.035 740 L CA -0.076 54.502 54.840 -0.436 0.000 0.806 740 L CB 1.677 43.578 42.059 -0.263 0.000 1.214 740 L HN 0.559 nan 8.230 nan 0.000 0.426 741 T N 3.374 117.890 114.554 -0.065 0.000 2.786 741 T HA 0.486 4.850 4.350 0.024 0.000 0.283 741 T C -0.303 174.490 174.700 0.154 0.000 0.992 741 T CA -0.367 61.793 62.100 0.101 0.000 0.954 741 T CB 1.159 70.153 68.868 0.211 0.000 0.934 741 T HN 0.698 nan 8.240 nan 0.000 0.440 742 T N 2.995 117.639 114.554 0.150 0.000 2.895 742 T HA 0.743 5.107 4.350 0.024 0.000 0.283 742 T C 0.071 174.823 174.700 0.086 0.000 1.014 742 T CA -0.706 61.514 62.100 0.200 0.000 1.037 742 T CB 1.266 70.284 68.868 0.249 0.000 1.006 742 T HN 0.732 nan 8.240 nan 0.000 0.468 743 S N 1.197 116.903 115.700 0.009 0.000 2.685 743 S HA 0.469 4.953 4.470 0.024 0.000 0.282 743 S C 0.619 175.165 174.600 -0.089 0.000 1.159 743 S CA -0.889 57.299 58.200 -0.020 0.000 0.833 743 S CB 1.476 64.674 63.200 -0.003 0.000 1.151 743 S HN 0.467 nan 8.310 nan 0.000 0.485 744 E N 0.115 120.277 120.200 -0.065 0.000 2.077 744 E HA -0.103 4.262 4.350 0.024 0.000 0.193 744 E C 1.466 177.992 176.600 -0.123 0.000 0.989 744 E CA 1.373 57.723 56.400 -0.083 0.000 0.800 744 E CB -0.297 29.375 29.700 -0.046 0.000 0.746 744 E HN 0.679 nan 8.360 nan 0.000 0.452 745 M N 0.056 119.598 119.600 -0.096 0.000 2.501 745 M HA 0.033 4.528 4.480 0.024 0.000 0.261 745 M C -0.308 175.909 176.300 -0.139 0.000 1.129 745 M CA 0.641 55.883 55.300 -0.097 0.000 1.126 745 M CB 0.756 33.334 32.600 -0.037 0.000 1.359 745 M HN -0.201 nan 8.290 nan 0.000 0.471 746 D N -1.807 118.493 120.400 -0.165 0.000 2.570 746 D HA 0.300 4.955 4.640 0.024 0.000 0.244 746 D C -1.468 174.717 176.300 -0.191 0.000 1.178 746 D CA -0.343 53.574 54.000 -0.137 0.000 0.881 746 D CB 1.537 42.359 40.800 0.037 0.000 1.453 746 D HN -0.067 nan 8.370 nan 0.000 0.447 747 F N 0.849 120.882 119.950 0.137 0.000 2.427 747 F HA 0.363 4.904 4.527 0.024 0.000 0.348 747 F C 0.116 176.054 175.800 0.231 0.000 1.125 747 F CA -0.798 57.277 58.000 0.125 0.000 0.989 747 F CB 1.462 40.492 39.000 0.049 0.000 1.165 747 F HN 0.020 nan 8.300 nan 0.000 0.442 748 C N 4.623 124.143 119.300 0.367 0.000 2.411 748 C HA 0.767 5.241 4.460 0.024 0.000 0.330 748 C C -0.433 174.737 174.990 0.300 0.000 1.224 748 C CA -0.597 58.618 59.018 0.329 0.000 1.770 748 C CB 0.855 28.727 27.740 0.221 0.000 2.297 748 C HN 0.574 nan 8.230 nan 0.000 0.507 749 I N 3.382 124.183 120.570 0.384 0.000 2.498 749 I HA 0.455 4.639 4.170 0.024 0.000 0.290 749 I C -0.458 175.936 176.117 0.462 0.000 1.032 749 I CA -0.172 61.337 61.300 0.348 0.000 1.073 749 I CB 1.746 39.916 38.000 0.283 0.000 1.251 749 I HN 0.580 nan 8.210 nan 0.000 0.426 750 E N 5.894 126.314 120.200 0.366 0.000 2.222 750 E HA 0.779 5.144 4.350 0.024 0.000 0.267 750 E C -1.312 175.484 176.600 0.325 0.000 0.884 750 E CA -0.665 55.929 56.400 0.323 0.000 0.764 750 E CB 2.590 32.406 29.700 0.193 0.000 1.169 750 E HN 0.412 nan 8.360 nan 0.000 0.413 751 L N 2.508 123.930 121.223 0.332 0.000 2.611 751 L HA 0.591 4.945 4.340 0.024 0.000 0.263 751 L C 0.252 177.229 176.870 0.178 0.000 0.969 751 L CA 0.467 55.475 54.840 0.280 0.000 0.894 751 L CB 0.920 43.196 42.059 0.361 0.000 1.229 751 L HN 0.677 nan 8.230 nan 0.000 0.416 752 G N 4.288 113.152 108.800 0.107 0.000 2.556 752 G HA2 -0.401 3.573 3.960 0.024 0.000 0.283 752 G HA3 -0.401 3.573 3.960 0.024 0.000 0.283 752 G C 0.506 175.419 174.900 0.020 0.000 1.177 752 G CA 0.498 45.634 45.100 0.060 0.000 0.978 752 G HN 1.272 nan 8.290 nan 0.000 0.554 753 N N 1.320 120.017 118.700 -0.004 0.000 2.314 753 N HA 0.125 4.880 4.740 0.024 0.000 0.200 753 N C 0.370 175.828 175.510 -0.086 0.000 1.135 753 N CA 0.792 53.817 53.050 -0.041 0.000 0.835 753 N CB 0.202 38.665 38.487 -0.040 0.000 0.989 753 N HN 0.702 nan 8.380 nan 0.000 0.478 754 K N 0.210 120.541 120.400 -0.115 0.000 2.156 754 K HA 0.459 4.794 4.320 0.024 0.000 0.250 754 K C -0.533 175.868 176.600 -0.332 0.000 0.955 754 K CA -0.665 55.426 56.287 -0.327 0.000 0.855 754 K CB 2.270 34.444 32.500 -0.544 0.000 1.101 754 K HN -0.011 nan 8.250 nan 0.000 0.434 755 R N 1.631 121.868 120.500 -0.439 0.000 2.651 755 R HA 0.381 4.736 4.340 0.024 0.000 0.278 755 R C -1.615 174.622 176.300 -0.106 0.000 1.010 755 R CA -0.615 55.429 56.100 -0.092 0.000 0.896 755 R CB 1.238 31.507 30.300 -0.053 0.000 1.211 755 R HN 0.623 nan 8.270 nan 0.000 0.456 756 W N 3.316 124.738 121.300 0.204 0.000 2.785 756 W HA 0.328 5.002 4.660 0.024 0.000 0.333 756 W C -0.664 175.954 176.519 0.166 0.000 1.062 756 W CA -0.674 56.729 57.345 0.097 0.000 1.233 756 W CB 2.201 31.703 29.460 0.070 0.000 1.413 756 W HN 0.444 nan 8.180 nan 0.000 0.489 757 Q N 2.778 122.712 119.800 0.224 0.000 2.330 757 Q HA 0.419 4.774 4.340 0.024 0.000 0.269 757 Q C -1.936 174.032 176.000 -0.054 0.000 1.022 757 Q CA -0.502 55.433 55.803 0.220 0.000 0.796 757 Q CB 1.451 30.375 28.738 0.311 0.000 1.271 757 Q HN 0.363 nan 8.270 nan 0.000 0.450 758 F N 2.915 122.958 119.950 0.155 0.000 2.402 758 F HA 0.312 4.854 4.527 0.024 0.000 0.355 758 F C 0.618 176.461 175.800 0.071 0.000 1.123 758 F CA -0.853 57.207 58.000 0.100 0.000 1.021 758 F CB 1.217 40.283 39.000 0.109 0.000 1.160 758 F HN 0.482 nan 8.300 nan 0.000 0.451 759 N N 3.637 122.441 118.700 0.174 0.000 2.470 759 N HA 0.080 4.834 4.740 0.024 0.000 0.268 759 N C 0.950 176.489 175.510 0.048 0.000 1.136 759 N CA -0.033 53.071 53.050 0.090 0.000 0.961 759 N CB 0.790 39.335 38.487 0.096 0.000 1.067 759 N HN 0.688 nan 8.380 nan 0.000 0.468 760 R N 2.508 122.965 120.500 -0.072 0.000 2.237 760 R HA -0.070 4.284 4.340 0.024 0.000 0.219 760 R C 1.403 177.657 176.300 -0.076 0.000 1.080 760 R CA 1.091 57.102 56.100 -0.150 0.000 0.995 760 R CB 0.225 30.295 30.300 -0.382 0.000 0.875 760 R HN 0.675 nan 8.270 nan 0.000 0.462 761 Q N -0.299 119.480 119.800 -0.035 0.000 2.297 761 Q HA 0.002 4.356 4.340 0.024 0.000 0.203 761 Q C 2.046 178.051 176.000 0.008 0.000 0.931 761 Q CA 1.286 57.078 55.803 -0.017 0.000 0.885 761 Q CB 0.537 29.274 28.738 -0.002 0.000 0.991 761 Q HN 0.332 nan 8.270 nan 0.000 0.498 762 S N -1.298 114.432 115.700 0.050 0.000 2.439 762 S HA 0.125 4.609 4.470 0.024 0.000 0.224 762 S C 1.530 176.100 174.600 -0.050 0.000 1.029 762 S CA 0.669 58.932 58.200 0.106 0.000 0.946 762 S CB 0.419 63.786 63.200 0.279 0.000 0.797 762 S HN 0.445 nan 8.310 nan 0.000 0.504 763 G N 0.484 109.251 108.800 -0.056 0.000 2.136 763 G HA2 -0.209 3.766 3.960 0.024 0.000 0.242 763 G HA3 -0.209 3.766 3.960 0.024 0.000 0.242 763 G C -0.128 174.669 174.900 -0.173 0.000 0.989 763 G CA 0.314 45.347 45.100 -0.111 0.000 0.682 763 G HN 0.529 nan 8.290 nan 0.000 0.522 764 F N -1.363 118.770 119.950 0.305 0.000 2.575 764 F HA 0.681 5.222 4.527 0.024 0.000 0.330 764 F C 0.475 176.297 175.800 0.036 0.000 1.056 764 F CA -1.447 56.685 58.000 0.219 0.000 0.964 764 F CB 1.382 40.461 39.000 0.131 0.000 1.258 764 F HN 0.007 nan 8.300 nan 0.000 0.484 765 L N 1.907 123.168 121.223 0.063 0.000 2.485 765 L HA 0.174 4.528 4.340 0.024 0.000 0.279 765 L C 0.942 177.710 176.870 -0.170 0.000 1.124 765 L CA 0.472 55.028 54.840 -0.474 0.000 0.888 765 L CB 0.135 41.867 42.059 -0.545 0.000 1.217 765 L HN 0.708 nan 8.230 nan 0.000 0.464 766 S N 2.397 117.997 115.700 -0.167 0.000 2.503 766 S HA 0.256 4.740 4.470 0.024 0.000 0.215 766 S C 0.571 175.040 174.600 -0.218 0.000 1.003 766 S CA -0.145 57.994 58.200 -0.101 0.000 0.910 766 S CB 0.107 63.301 63.200 -0.009 0.000 0.790 766 S HN 0.667 nan 8.310 nan 0.000 0.514 767 Q N 0.020 119.621 119.800 -0.332 0.000 2.472 767 Q HA 0.635 4.989 4.340 0.024 0.000 0.281 767 Q C -1.890 173.719 176.000 -0.651 0.000 0.997 767 Q CA -0.413 55.034 55.803 -0.594 0.000 0.828 767 Q CB 1.763 29.971 28.738 -0.883 0.000 1.443 767 Q HN 0.293 nan 8.270 nan 0.000 0.390 768 M N 2.487 121.593 119.600 -0.824 0.000 2.371 768 M HA 0.486 4.981 4.480 0.024 0.000 0.287 768 M C -2.044 173.896 176.300 -0.600 0.000 1.149 768 M CA -0.082 54.855 55.300 -0.606 0.000 0.929 768 M CB 1.563 33.799 32.600 -0.607 0.000 1.683 768 M HN 0.784 nan 8.290 nan 0.000 0.470 769 W N 4.840 125.902 121.300 -0.397 0.000 2.781 769 W HA 0.581 5.256 4.660 0.024 0.000 0.345 769 W C -1.041 175.278 176.519 -0.334 0.000 1.085 769 W CA -0.731 56.442 57.345 -0.287 0.000 1.198 769 W CB 1.805 31.139 29.460 -0.210 0.000 1.423 769 W HN 0.509 nan 8.180 nan 0.000 0.532 770 I N 2.447 123.015 120.570 -0.003 0.000 2.382 770 I HA 0.374 4.559 4.170 0.024 0.000 0.285 770 I C 0.853 176.957 176.117 -0.021 0.000 1.007 770 I CA 0.446 61.699 61.300 -0.079 0.000 1.142 770 I CB 0.941 38.871 38.000 -0.116 0.000 1.289 770 I HN 0.728 nan 8.210 nan 0.000 0.453 771 G N 5.843 114.621 108.800 -0.037 0.000 2.583 771 G HA2 -0.343 3.632 3.960 0.024 0.000 0.292 771 G HA3 -0.343 3.632 3.960 0.024 0.000 0.292 771 G C 0.374 175.275 174.900 0.002 0.000 1.203 771 G CA 0.555 45.638 45.100 -0.028 0.000 0.987 771 G HN 0.785 nan 8.290 nan 0.000 0.554 772 D N 0.636 121.047 120.400 0.017 0.000 2.342 772 D HA 0.239 4.894 4.640 0.024 0.000 0.221 772 D C 0.426 176.839 176.300 0.189 0.000 1.101 772 D CA 0.231 54.265 54.000 0.056 0.000 0.837 772 D CB 0.253 41.058 40.800 0.008 0.000 0.938 772 D HN 0.257 nan 8.370 nan 0.000 0.508 773 K N 1.210 121.699 120.400 0.149 0.000 2.234 773 K HA 0.296 4.631 4.320 0.024 0.000 0.277 773 K C 0.091 176.709 176.600 0.029 0.000 1.038 773 K CA -0.496 55.844 56.287 0.089 0.000 0.888 773 K CB 1.461 33.965 32.500 0.007 0.000 1.091 773 K HN 0.027 nan 8.250 nan 0.000 0.467 774 K N 2.147 122.491 120.400 -0.092 0.000 2.401 774 K HA 0.027 4.361 4.320 0.024 0.000 0.278 774 K C 1.044 177.488 176.600 -0.261 0.000 1.018 774 K CA 0.096 56.125 56.287 -0.429 0.000 0.981 774 K CB 0.627 32.905 32.500 -0.371 0.000 0.933 774 K HN 0.325 nan 8.250 nan 0.000 0.477 775 Q N 1.799 121.418 119.800 -0.302 0.000 2.317 775 Q HA 0.189 4.544 4.340 0.024 0.000 0.220 775 Q C -0.037 175.896 176.000 -0.113 0.000 0.873 775 Q CA 0.340 56.078 55.803 -0.108 0.000 0.936 775 Q CB 0.592 29.314 28.738 -0.027 0.000 1.105 775 Q HN 0.496 nan 8.270 nan 0.000 0.520 776 L N 0.674 121.760 121.223 -0.229 0.000 2.346 776 L HA 0.396 4.750 4.340 0.024 0.000 0.274 776 L C 0.865 177.606 176.870 -0.216 0.000 1.007 776 L CA -0.383 54.336 54.840 -0.202 0.000 0.818 776 L CB 1.771 43.694 42.059 -0.226 0.000 1.284 776 L HN -0.057 nan 8.230 nan 0.000 0.424 777 L N 0.416 121.504 121.223 -0.224 0.000 2.470 777 L HA 0.235 4.590 4.340 0.024 0.000 0.219 777 L C 0.083 176.839 176.870 -0.191 0.000 1.071 777 L CA 0.637 55.351 54.840 -0.211 0.000 0.850 777 L CB 0.608 42.525 42.059 -0.235 0.000 1.040 777 L HN 0.610 nan 8.230 nan 0.000 0.475 778 T N -0.389 114.032 114.554 -0.223 0.000 2.916 778 T HA 0.410 4.774 4.350 0.024 0.000 0.305 778 T C -2.598 172.030 174.700 -0.120 0.000 1.119 778 T CA -1.154 60.861 62.100 -0.142 0.000 1.008 778 T CB 2.495 71.279 68.868 -0.140 0.000 1.129 778 T HN -0.290 nan 8.240 nan 0.000 0.480 779 P HA 0.219 nan 4.420 nan 0.000 0.271 779 P C -0.739 176.520 177.300 -0.068 0.000 1.244 779 P CA -0.736 62.324 63.100 -0.066 0.000 0.793 779 P CB 0.425 32.111 31.700 -0.024 0.000 0.984 780 L N 2.402 123.624 121.223 -0.003 0.000 2.283 780 L HA 0.311 4.666 4.340 0.024 0.000 0.287 780 L C -0.015 176.818 176.870 -0.061 0.000 1.073 780 L CA 0.464 55.341 54.840 0.062 0.000 0.822 780 L CB -0.490 41.718 42.059 0.249 0.000 1.186 780 L HN 0.276 nan 8.230 nan 0.000 0.436 781 R N 2.787 123.152 120.500 -0.225 0.000 2.795 781 R HA 0.459 4.813 4.340 0.024 0.000 0.275 781 R C -1.034 175.146 176.300 -0.201 0.000 0.981 781 R CA -1.033 54.756 56.100 -0.518 0.000 0.917 781 R CB 1.290 31.112 30.300 -0.796 0.000 1.202 781 R HN 0.539 nan 8.270 nan 0.000 0.469 782 D N 1.376 121.737 120.400 -0.065 0.000 2.400 782 D HA 0.007 4.662 4.640 0.024 0.000 0.238 782 D C -0.389 175.574 176.300 -0.563 0.000 1.157 782 D CA 0.499 54.327 54.000 -0.287 0.000 0.889 782 D CB 0.625 41.193 40.800 -0.387 0.000 1.199 782 D HN 0.246 nan 8.370 nan 0.000 0.436 783 Q N 1.118 120.396 119.800 -0.871 0.000 2.285 783 Q HA 0.358 4.713 4.340 0.024 0.000 0.269 783 Q C -1.253 174.063 176.000 -1.139 0.000 1.030 783 Q CA -0.601 54.739 55.803 -0.771 0.000 0.788 783 Q CB 0.806 29.284 28.738 -0.433 0.000 1.266 783 Q HN 0.566 nan 8.270 nan 0.000 0.438 784 F N 1.038 120.635 119.950 -0.588 0.000 2.688 784 F HA 0.211 4.752 4.527 0.024 0.000 0.310 784 F C 0.427 175.801 175.800 -0.710 0.000 1.098 784 F CA -0.214 57.311 58.000 -0.790 0.000 1.228 784 F CB 1.594 39.821 39.000 -1.290 0.000 1.042 784 F HN 0.469 nan 8.300 nan 0.000 0.557 785 T N -1.027 113.231 114.554 -0.492 0.000 2.887 785 T HA 0.741 5.105 4.350 0.024 0.000 0.292 785 T C -0.617 173.822 174.700 -0.435 0.000 1.087 785 T CA -1.026 60.702 62.100 -0.619 0.000 1.009 785 T CB 2.708 71.121 68.868 -0.758 0.000 1.203 785 T HN 0.226 nan 8.240 nan 0.000 0.518 786 R N 0.001 120.267 120.500 -0.391 0.000 2.795 786 R HA 0.788 5.142 4.340 0.024 0.000 0.275 786 R C -0.728 175.612 176.300 0.067 0.000 0.981 786 R CA -1.239 54.776 56.100 -0.142 0.000 0.917 786 R CB 1.600 31.833 30.300 -0.111 0.000 1.202 786 R HN 0.812 nan 8.270 nan 0.000 0.469 787 A N 3.484 126.336 122.820 0.055 0.000 2.484 787 A HA 0.284 4.619 4.320 0.024 0.000 0.268 787 A C -2.000 175.646 177.584 0.104 0.000 1.114 787 A CA -1.395 50.679 52.037 0.062 0.000 0.780 787 A CB -0.461 18.518 19.000 -0.035 0.000 1.061 787 A HN 0.557 nan 8.150 nan 0.000 0.505 788 P HA 0.069 nan 4.420 nan 0.000 0.262 788 P C -0.130 177.285 177.300 0.192 0.000 1.182 788 P CA 0.441 63.700 63.100 0.265 0.000 0.761 788 P CB 0.320 32.223 31.700 0.337 0.000 0.795 789 L N 2.500 123.805 121.223 0.136 0.000 2.475 789 L HA 0.124 4.478 4.340 0.024 0.000 0.250 789 L C 1.888 178.789 176.870 0.052 0.000 1.224 789 L CA -0.368 54.494 54.840 0.037 0.000 0.821 789 L CB -0.113 41.902 42.059 -0.074 0.000 1.141 789 L HN 0.297 nan 8.230 nan 0.000 0.494 790 D N 0.235 120.604 120.400 -0.051 0.000 2.149 790 D HA -0.159 4.496 4.640 0.024 0.000 0.198 790 D C 1.666 177.899 176.300 -0.112 0.000 0.990 790 D CA 1.369 55.255 54.000 -0.191 0.000 0.839 790 D CB 0.015 40.632 40.800 -0.306 0.000 0.948 790 D HN 0.459 nan 8.370 nan 0.000 0.460 791 N N 0.943 119.599 118.700 -0.074 0.000 2.244 791 N HA -0.102 4.653 4.740 0.024 0.000 0.183 791 N C 1.177 176.707 175.510 0.034 0.000 1.016 791 N CA 0.685 53.721 53.050 -0.023 0.000 0.866 791 N CB -0.158 38.306 38.487 -0.038 0.000 0.980 791 N HN 0.268 nan 8.380 nan 0.000 0.430 792 D N 0.563 121.001 120.400 0.063 0.000 2.183 792 D HA 0.016 4.670 4.640 0.024 0.000 0.203 792 D C 2.017 178.374 176.300 0.095 0.000 0.969 792 D CA 0.390 54.464 54.000 0.123 0.000 0.842 792 D CB 0.111 41.065 40.800 0.257 0.000 0.957 792 D HN 0.314 nan 8.370 nan 0.000 0.484 793 I N 0.934 121.547 120.570 0.071 0.000 2.277 793 I HA -0.091 4.093 4.170 0.024 0.000 0.243 793 I C 1.696 177.842 176.117 0.048 0.000 1.094 793 I CA 0.646 61.973 61.300 0.045 0.000 1.393 793 I CB -0.168 37.825 38.000 -0.012 0.000 1.078 793 I HN -0.036 nan 8.210 nan 0.000 0.417 794 A N 0.497 123.358 122.820 0.068 0.000 5.479 794 A HA -0.327 4.008 4.320 0.024 0.000 0.301 794 A C 1.200 178.931 177.584 0.245 0.000 1.961 794 A CA 2.127 54.258 52.037 0.156 0.000 0.716 794 A CB -1.687 17.358 19.000 0.076 0.000 1.266 794 A HN 0.651 nan 8.150 nan 0.000 0.372 795 V N -2.085 117.917 119.914 0.148 0.000 3.596 795 V HA 0.535 4.669 4.120 0.024 0.000 0.289 795 V C 0.961 177.077 176.094 0.036 0.000 1.336 795 V CA 1.202 63.553 62.300 0.086 0.000 1.137 795 V CB -0.437 31.354 31.823 -0.053 0.000 0.966 795 V HN 1.663 nan 8.190 nan 0.000 0.428 796 S N 1.161 116.882 115.700 0.034 0.000 2.558 796 S HA 0.263 4.747 4.470 0.024 0.000 0.288 796 S C -0.137 174.473 174.600 0.017 0.000 1.318 796 S CA 0.281 58.486 58.200 0.009 0.000 1.056 796 S CB 0.353 63.556 63.200 0.004 0.000 0.853 796 S HN 0.841 nan 8.310 nan 0.000 0.505 797 E N 1.305 121.508 120.200 0.006 0.000 2.343 797 E HA 0.552 4.916 4.350 0.024 0.000 0.278 797 E C 0.541 177.147 176.600 0.011 0.000 0.910 797 E CA -0.251 56.157 56.400 0.012 0.000 0.757 797 E CB 1.403 31.108 29.700 0.007 0.000 1.218 797 E HN 0.632 nan 8.360 nan 0.000 0.435 798 A N 1.734 124.566 122.820 0.021 0.000 1.909 798 A HA -0.266 4.068 4.320 0.024 0.000 0.221 798 A C 1.944 179.538 177.584 0.016 0.000 1.223 798 A CA 2.845 54.896 52.037 0.023 0.000 0.658 798 A CB -1.028 17.993 19.000 0.034 0.000 0.831 798 A HN 0.629 nan 8.150 nan 0.000 0.462 799 T N -3.405 111.157 114.554 0.014 0.000 3.129 799 T HA 0.254 4.618 4.350 0.024 0.000 0.251 799 T C 0.570 175.268 174.700 -0.003 0.000 1.117 799 T CA 0.649 62.753 62.100 0.007 0.000 1.034 799 T CB -0.224 68.649 68.868 0.009 0.000 0.968 799 T HN 0.510 nan 8.240 nan 0.000 0.526 800 R N 1.038 121.534 120.500 -0.006 0.000 2.980 800 R HA 0.236 4.590 4.340 0.024 0.000 0.211 800 R C -1.172 175.117 176.300 -0.018 0.000 1.542 800 R CA -0.542 55.548 56.100 -0.017 0.000 0.924 800 R CB -0.257 30.026 30.300 -0.028 0.000 1.492 800 R HN 0.210 nan 8.270 nan 0.000 0.436 801 I N 2.151 122.713 120.570 -0.014 0.000 2.775 801 I HA -0.028 4.156 4.170 0.024 0.000 0.290 801 I C 0.337 176.437 176.117 -0.029 0.000 1.203 801 I CA 0.689 61.980 61.300 -0.015 0.000 1.433 801 I CB 0.515 38.508 38.000 -0.012 0.000 1.354 801 I HN 0.566 nan 8.210 nan 0.000 0.579 802 D N 9.577 129.957 120.400 -0.033 0.000 2.443 802 D HA 0.253 4.907 4.640 0.024 0.000 0.221 802 D C -1.664 174.594 176.300 -0.070 0.000 1.097 802 D CA -2.299 51.672 54.000 -0.049 0.000 0.865 802 D CB 1.567 42.340 40.800 -0.044 0.000 1.034 802 D HN 0.181 nan 8.370 nan 0.000 0.511 803 P HA -0.116 nan 4.420 nan 0.000 0.222 803 P C 0.979 178.188 177.300 -0.152 0.000 1.147 803 P CA 0.700 63.743 63.100 -0.096 0.000 0.790 803 P CB 0.149 31.802 31.700 -0.078 0.000 0.780 804 N N -0.113 118.492 118.700 -0.158 0.000 2.446 804 N HA -0.012 4.743 4.740 0.024 0.000 0.179 804 N C 0.415 175.743 175.510 -0.303 0.000 1.054 804 N CA -0.088 52.825 53.050 -0.228 0.000 0.905 804 N CB -0.015 38.372 38.487 -0.167 0.000 0.973 804 N HN -0.049 nan 8.380 nan 0.000 0.448 805 A N 0.349 123.036 122.820 -0.222 0.000 2.445 805 A HA 0.066 4.400 4.320 0.024 0.000 0.242 805 A C 0.590 177.971 177.584 -0.337 0.000 1.075 805 A CA -0.454 51.455 52.037 -0.214 0.000 0.777 805 A CB -0.149 18.799 19.000 -0.085 0.000 1.013 805 A HN 0.467 nan 8.150 nan 0.000 0.493 806 W N 1.526 122.590 121.300 -0.392 0.000 2.321 806 W HA -0.175 4.499 4.660 0.024 0.000 0.306 806 W C 2.221 178.225 176.519 -0.858 0.000 1.217 806 W CA 1.753 58.604 57.345 -0.824 0.000 1.257 806 W CB -0.376 28.445 29.460 -1.066 0.000 1.145 806 W HN 0.549 nan 8.180 nan 0.000 0.509 807 V N 0.876 120.715 119.914 -0.125 0.000 2.332 807 V HA -0.277 3.858 4.120 0.024 0.000 0.248 807 V C 2.144 178.332 176.094 0.157 0.000 1.055 807 V CA 2.155 64.579 62.300 0.208 0.000 1.038 807 V CB -0.342 31.608 31.823 0.213 0.000 0.651 807 V HN 0.078 nan 8.190 nan 0.000 0.450 808 E N -0.220 119.979 120.200 -0.002 0.000 2.208 808 E HA -0.132 4.232 4.350 0.024 0.000 0.193 808 E C 2.329 178.896 176.600 -0.055 0.000 0.988 808 E CA 0.816 57.209 56.400 -0.012 0.000 0.828 808 E CB -0.300 29.366 29.700 -0.055 0.000 0.763 808 E HN 0.618 nan 8.360 nan 0.000 0.478 809 R N -0.232 120.158 120.500 -0.183 0.000 2.075 809 R HA -0.101 4.254 4.340 0.024 0.000 0.232 809 R C 2.213 178.448 176.300 -0.108 0.000 1.126 809 R CA 1.157 57.120 56.100 -0.229 0.000 0.963 809 R CB -0.162 29.866 30.300 -0.453 0.000 0.858 809 R HN 0.246 nan 8.270 nan 0.000 0.435 810 W N 1.479 122.731 121.300 -0.079 0.000 2.388 810 W HA -0.043 4.631 4.660 0.024 0.000 0.294 810 W C 1.936 178.406 176.519 -0.082 0.000 1.212 810 W CA 0.593 57.777 57.345 -0.268 0.000 1.271 810 W CB -0.533 28.911 29.460 -0.027 0.000 1.126 810 W HN 0.096 nan 8.180 nan 0.000 0.535 811 K N 0.175 120.779 120.400 0.341 0.000 2.002 811 K HA -0.093 4.241 4.320 0.024 0.000 0.209 811 K C 2.305 178.962 176.600 0.094 0.000 1.048 811 K CA 1.832 58.280 56.287 0.269 0.000 0.930 811 K CB -0.602 32.005 32.500 0.179 0.000 0.714 811 K HN -0.044 nan 8.250 nan 0.000 0.438 812 A N 1.160 124.004 122.820 0.041 0.000 1.978 812 A HA -0.124 4.210 4.320 0.024 0.000 0.220 812 A C 2.225 179.782 177.584 -0.045 0.000 1.170 812 A CA 1.872 53.912 52.037 0.005 0.000 0.636 812 A CB -0.636 18.358 19.000 -0.011 0.000 0.810 812 A HN 0.360 nan 8.150 nan 0.000 0.448 813 A N -1.994 120.776 122.820 -0.083 0.000 2.168 813 A HA 0.373 4.707 4.320 0.024 0.000 0.215 813 A C 1.914 179.356 177.584 -0.236 0.000 1.152 813 A CA 1.356 53.340 52.037 -0.089 0.000 0.716 813 A CB -0.864 18.082 19.000 -0.090 0.000 0.794 813 A HN 1.904 nan 8.150 nan 0.000 0.465 814 G N -1.793 106.771 108.800 -0.393 0.000 2.157 814 G HA2 -0.306 3.669 3.960 0.024 0.000 0.248 814 G HA3 -0.306 3.669 3.960 0.024 0.000 0.248 814 G C 0.609 175.513 174.900 0.006 0.000 0.979 814 G CA 0.653 45.332 45.100 -0.703 0.000 0.650 814 G HN 0.749 nan 8.290 nan 0.000 0.529 815 H N -1.295 117.759 119.070 -0.026 0.000 2.390 815 H HA -0.126 4.445 4.556 0.024 0.000 0.298 815 H C 2.030 177.354 175.328 -0.005 0.000 1.106 815 H CA 1.649 57.706 56.048 0.014 0.000 1.297 815 H CB 0.040 29.749 29.762 -0.087 0.000 1.375 815 H HN 0.612 nan 8.280 nan 0.000 0.509 816 Y N -0.209 120.220 120.300 0.216 0.000 2.466 816 Y HA -0.019 4.546 4.550 0.024 0.000 0.272 816 Y C 1.826 177.822 175.900 0.160 0.000 1.169 816 Y CA 0.017 58.209 58.100 0.153 0.000 1.285 816 Y CB 0.602 39.129 38.460 0.112 0.000 1.078 816 Y HN 0.095 nan 8.280 nan 0.000 0.523 817 Q N -0.024 119.968 119.800 0.321 0.000 2.350 817 Q HA 0.338 4.692 4.340 0.024 0.000 0.225 817 Q C 0.768 176.967 176.000 0.332 0.000 0.878 817 Q CA 0.122 56.103 55.803 0.298 0.000 0.935 817 Q CB 0.128 29.049 28.738 0.304 0.000 1.099 817 Q HN 0.255 nan 8.270 nan 0.000 0.527 818 A N 2.311 125.351 122.820 0.367 0.000 2.565 818 A HA 0.147 4.481 4.320 0.024 0.000 0.237 818 A C -0.005 177.861 177.584 0.472 0.000 1.053 818 A CA 0.184 52.481 52.037 0.432 0.000 0.755 818 A CB -0.070 19.206 19.000 0.461 0.000 0.980 818 A HN 0.236 nan 8.150 nan 0.000 0.506 819 E N 1.633 122.025 120.200 0.321 0.000 2.212 819 E HA 0.620 4.984 4.350 0.024 0.000 0.268 819 E C -0.315 176.226 176.600 -0.099 0.000 0.902 819 E CA -0.831 55.682 56.400 0.189 0.000 0.779 819 E CB 1.602 31.383 29.700 0.134 0.000 1.172 819 E HN 0.720 nan 8.360 nan 0.000 0.409 820 A N 2.143 124.779 122.820 -0.308 0.000 2.524 820 A HA 0.444 4.778 4.320 0.024 0.000 0.250 820 A C -0.040 177.399 177.584 -0.241 0.000 1.078 820 A CA 0.083 51.688 52.037 -0.720 0.000 0.761 820 A CB 0.047 18.806 19.000 -0.402 0.000 1.012 820 A HN 0.678 nan 8.150 nan 0.000 0.500 821 A N 2.913 125.593 122.820 -0.233 0.000 2.303 821 A HA 0.589 4.923 4.320 0.024 0.000 0.320 821 A C -0.346 177.195 177.584 -0.071 0.000 1.192 821 A CA -0.565 51.423 52.037 -0.081 0.000 0.821 821 A CB 0.510 19.475 19.000 -0.058 0.000 1.188 821 A HN 1.146 nan 8.150 nan 0.000 0.492 822 L N 2.585 123.753 121.223 -0.092 0.000 2.426 822 L HA 0.341 4.695 4.340 0.024 0.000 0.271 822 L C 0.501 177.261 176.870 -0.185 0.000 1.169 822 L CA 0.450 55.136 54.840 -0.257 0.000 0.836 822 L CB 0.514 42.435 42.059 -0.231 0.000 1.112 822 L HN 0.791 nan 8.230 nan 0.000 0.465 823 L N 2.504 123.594 121.223 -0.222 0.000 2.624 823 L HA 0.342 4.697 4.340 0.024 0.000 0.222 823 L C 0.197 177.005 176.870 -0.103 0.000 1.046 823 L CA -0.023 54.750 54.840 -0.112 0.000 0.872 823 L CB 0.134 42.157 42.059 -0.060 0.000 1.190 823 L HN 0.694 nan 8.230 nan 0.000 0.487 824 Q N -0.145 119.565 119.800 -0.150 0.000 2.353 824 Q HA 0.342 4.696 4.340 0.024 0.000 0.275 824 Q C -2.021 173.922 176.000 -0.096 0.000 1.029 824 Q CA -0.509 55.241 55.803 -0.088 0.000 0.848 824 Q CB 3.147 31.858 28.738 -0.045 0.000 1.390 824 Q HN 0.096 nan 8.270 nan 0.000 0.401 825 C N 3.509 122.799 119.300 -0.016 0.000 2.919 825 C HA 0.711 5.185 4.460 0.024 0.000 0.337 825 C C -0.782 174.325 174.990 0.195 0.000 1.039 825 C CA 0.316 59.374 59.018 0.065 0.000 1.373 825 C CB 0.250 28.028 27.740 0.064 0.000 1.843 825 C HN 0.815 nan 8.230 nan 0.000 0.493 826 T N 2.122 116.716 114.554 0.067 0.000 2.916 826 T HA 0.908 5.272 4.350 0.024 0.000 0.292 826 T C -0.462 173.977 174.700 -0.435 0.000 1.055 826 T CA -0.417 61.647 62.100 -0.059 0.000 1.009 826 T CB 1.978 70.803 68.868 -0.070 0.000 1.118 826 T HN 1.479 nan 8.240 nan 0.000 0.497 827 A N 1.468 123.842 122.820 -0.744 0.000 2.374 827 A HA 0.745 5.079 4.320 0.024 0.000 0.305 827 A C -1.292 176.013 177.584 -0.466 0.000 1.053 827 A CA -0.742 50.770 52.037 -0.875 0.000 0.726 827 A CB 1.249 19.314 19.000 -1.557 0.000 1.229 827 A HN 0.843 nan 8.150 nan 0.000 0.431 828 D N 1.248 121.443 120.400 -0.341 0.000 2.671 828 D HA 0.571 5.225 4.640 0.024 0.000 0.232 828 D C -0.569 175.618 176.300 -0.188 0.000 1.114 828 D CA 0.073 53.945 54.000 -0.214 0.000 0.858 828 D CB 2.308 43.014 40.800 -0.156 0.000 1.544 828 D HN 0.632 nan 8.370 nan 0.000 0.471 829 T N -0.557 113.913 114.554 -0.140 0.000 2.829 829 T HA 0.736 5.101 4.350 0.024 0.000 0.282 829 T C 0.282 174.931 174.700 -0.084 0.000 0.990 829 T CA -0.667 61.363 62.100 -0.117 0.000 1.028 829 T CB 1.006 69.813 68.868 -0.102 0.000 0.951 829 T HN 0.201 nan 8.240 nan 0.000 0.460 830 L N 1.671 122.849 121.223 -0.074 0.000 2.341 830 L HA 0.685 5.039 4.340 0.024 0.000 0.267 830 L C 2.072 178.919 176.870 -0.038 0.000 1.022 830 L CA -1.489 53.319 54.840 -0.053 0.000 0.844 830 L CB 0.557 42.585 42.059 -0.051 0.000 1.436 830 L HN 0.784 nan 8.230 nan 0.000 0.483 831 A N 0.434 123.239 122.820 -0.025 0.000 1.908 831 A HA -0.178 4.157 4.320 0.024 0.000 0.218 831 A C 1.051 178.629 177.584 -0.009 0.000 1.181 831 A CA 2.176 54.206 52.037 -0.013 0.000 0.627 831 A CB -0.527 18.469 19.000 -0.007 0.000 0.818 831 A HN 0.886 nan 8.150 nan 0.000 0.445 832 D N -2.539 117.853 120.400 -0.013 0.000 2.650 832 D HA 0.570 5.225 4.640 0.024 0.000 0.265 832 D C -0.066 176.221 176.300 -0.022 0.000 1.339 832 D CA 0.637 54.633 54.000 -0.007 0.000 0.816 832 D CB -0.232 40.566 40.800 -0.002 0.000 1.091 832 D HN 0.554 nan 8.370 nan 0.000 0.483 833 A N -0.770 122.026 122.820 -0.040 0.000 2.515 833 A HA 0.585 4.920 4.320 0.024 0.000 0.292 833 A C -1.890 175.638 177.584 -0.094 0.000 1.065 833 A CA -0.702 51.295 52.037 -0.067 0.000 0.641 833 A CB 1.202 20.162 19.000 -0.066 0.000 1.306 833 A HN 0.026 nan 8.150 nan 0.000 0.441 834 V N 0.480 120.316 119.914 -0.131 0.000 2.555 834 V HA 0.681 4.815 4.120 0.024 0.000 0.302 834 V C -0.990 174.991 176.094 -0.188 0.000 1.038 834 V CA -0.493 61.706 62.300 -0.168 0.000 0.887 834 V CB 1.511 33.222 31.823 -0.188 0.000 0.991 834 V HN 0.956 nan 8.190 nan 0.000 0.434 835 L N 6.004 127.106 121.223 -0.202 0.000 2.325 835 L HA 0.640 4.995 4.340 0.024 0.000 0.281 835 L C -0.806 175.901 176.870 -0.271 0.000 1.004 835 L CA -0.010 54.717 54.840 -0.188 0.000 0.823 835 L CB 1.276 43.251 42.059 -0.139 0.000 1.236 835 L HN 0.406 nan 8.230 nan 0.000 0.415 836 I N 4.139 124.532 120.570 -0.294 0.000 2.359 836 I HA 0.422 4.606 4.170 0.024 0.000 0.294 836 I C 0.038 176.081 176.117 -0.123 0.000 0.987 836 I CA -0.194 60.872 61.300 -0.390 0.000 1.225 836 I CB 1.464 38.962 38.000 -0.836 0.000 1.366 836 I HN 0.581 nan 8.210 nan 0.000 0.466 837 T N 4.852 119.343 114.554 -0.106 0.000 2.824 837 T HA 0.643 5.008 4.350 0.024 0.000 0.282 837 T C 0.141 174.864 174.700 0.038 0.000 0.993 837 T CA -0.541 61.555 62.100 -0.007 0.000 0.967 837 T CB 1.872 70.715 68.868 -0.041 0.000 0.960 837 T HN 0.783 nan 8.240 nan 0.000 0.441 838 T N -0.566 114.052 114.554 0.106 0.000 2.901 838 T HA 0.890 5.255 4.350 0.024 0.000 0.293 838 T C -1.183 173.547 174.700 0.049 0.000 1.084 838 T CA -1.063 61.078 62.100 0.068 0.000 1.008 838 T CB 2.025 71.004 68.868 0.185 0.000 1.170 838 T HN 0.808 nan 8.240 nan 0.000 0.509 839 A N 1.231 123.995 122.820 -0.093 0.000 2.488 839 A HA 0.786 5.120 4.320 0.024 0.000 0.298 839 A C -1.507 175.955 177.584 -0.203 0.000 1.044 839 A CA -0.776 51.256 52.037 -0.008 0.000 0.693 839 A CB 0.981 19.991 19.000 0.016 0.000 1.272 839 A HN 1.021 nan 8.150 nan 0.000 0.402 840 H N -0.219 118.914 119.070 0.105 0.000 2.961 840 H HA 0.776 5.346 4.556 0.024 0.000 0.371 840 H C -0.097 175.285 175.328 0.090 0.000 1.190 840 H CA 0.286 56.327 56.048 -0.012 0.000 1.138 840 H CB 2.144 31.810 29.762 -0.159 0.000 1.816 840 H HN 1.031 nan 8.280 nan 0.000 0.551 841 A N 1.584 124.457 122.820 0.090 0.000 2.350 841 A HA 0.505 4.839 4.320 0.024 0.000 0.324 841 A C -1.385 176.220 177.584 0.035 0.000 1.118 841 A CA -0.690 51.461 52.037 0.190 0.000 0.783 841 A CB 1.245 20.319 19.000 0.122 0.000 1.236 841 A HN 0.576 nan 8.150 nan 0.000 0.457 842 W N 1.707 123.115 121.300 0.180 0.000 2.417 842 W HA 0.452 5.126 4.660 0.024 0.000 0.315 842 W C -0.545 175.984 176.519 0.017 0.000 1.045 842 W CA -0.130 57.311 57.345 0.161 0.000 1.221 842 W CB 1.856 31.463 29.460 0.245 0.000 1.309 842 W HN 0.819 nan 8.180 nan 0.000 0.453 843 Q N 1.712 121.642 119.800 0.216 0.000 2.484 843 Q HA 0.497 4.852 4.340 0.024 0.000 0.285 843 Q C -0.966 175.155 176.000 0.201 0.000 1.097 843 Q CA -0.934 54.953 55.803 0.139 0.000 0.802 843 Q CB 3.639 32.424 28.738 0.079 0.000 1.444 843 Q HN 0.371 nan 8.270 nan 0.000 0.429 844 H N 1.064 120.164 119.070 0.050 0.000 3.099 844 H HA 0.070 4.641 4.556 0.024 0.000 0.342 844 H C -1.088 174.270 175.328 0.049 0.000 1.054 844 H CA -0.223 55.865 56.048 0.067 0.000 1.328 844 H CB 1.404 31.215 29.762 0.081 0.000 1.876 844 H HN 0.739 nan 8.280 nan 0.000 0.495 845 Q N 2.823 122.342 119.800 -0.469 0.000 2.434 845 Q HA -0.192 4.163 4.340 0.024 0.000 0.299 845 Q C 1.020 176.978 176.000 -0.069 0.000 1.286 845 Q CA 1.749 57.405 55.803 -0.246 0.000 0.872 845 Q CB -1.593 27.018 28.738 -0.212 0.000 1.193 845 Q HN 1.170 nan 8.270 nan 0.000 0.466 846 G N -0.853 107.920 108.800 -0.046 0.000 2.155 846 G HA2 -0.408 3.567 3.960 0.024 0.000 0.257 846 G HA3 -0.408 3.567 3.960 0.024 0.000 0.257 846 G C 0.011 174.921 174.900 0.017 0.000 0.983 846 G CA 0.667 45.763 45.100 -0.006 0.000 0.676 846 G HN 0.617 nan 8.290 nan 0.000 0.528 847 K N 0.365 120.787 120.400 0.036 0.000 2.221 847 K HA 0.631 4.965 4.320 0.024 0.000 0.258 847 K C -0.174 176.445 176.600 0.032 0.000 0.944 847 K CA -0.454 55.856 56.287 0.039 0.000 0.823 847 K CB 1.162 33.692 32.500 0.051 0.000 1.113 847 K HN -0.032 nan 8.250 nan 0.000 0.431 848 T N 5.428 119.991 114.554 0.016 0.000 2.727 848 T HA 0.174 4.538 4.350 0.024 0.000 0.295 848 T C 1.164 175.813 174.700 -0.084 0.000 0.915 848 T CA -0.422 61.681 62.100 0.006 0.000 1.066 848 T CB 0.352 69.242 68.868 0.037 0.000 0.891 848 T HN 0.549 nan 8.240 nan 0.000 0.516 849 L N 2.396 123.480 121.223 -0.231 0.000 2.084 849 L HA 0.311 4.666 4.340 0.024 0.000 0.202 849 L C 0.064 176.461 176.870 -0.790 0.000 1.074 849 L CA 0.984 55.415 54.840 -0.682 0.000 0.757 849 L CB -0.029 41.221 42.059 -1.348 0.000 0.918 849 L HN 0.527 nan 8.230 nan 0.000 0.444 850 F N -1.040 118.859 119.950 -0.086 0.000 2.599 850 F HA 0.576 5.118 4.527 0.024 0.000 0.311 850 F C -0.423 175.482 175.800 0.175 0.000 1.076 850 F CA -0.819 57.064 58.000 -0.195 0.000 0.937 850 F CB 2.065 40.492 39.000 -0.954 0.000 1.282 850 F HN -0.297 nan 8.300 nan 0.000 0.460 851 I N 1.606 122.395 120.570 0.365 0.000 2.466 851 I HA 0.355 4.539 4.170 0.024 0.000 0.289 851 I C -0.809 175.578 176.117 0.449 0.000 1.026 851 I CA -0.511 61.037 61.300 0.413 0.000 1.078 851 I CB 2.189 40.341 38.000 0.254 0.000 1.249 851 I HN 0.578 nan 8.210 nan 0.000 0.429 852 S N 6.977 123.046 115.700 0.616 0.000 2.478 852 S HA 0.581 5.065 4.470 0.024 0.000 0.312 852 S C -0.685 174.156 174.600 0.402 0.000 1.094 852 S CA -0.674 57.841 58.200 0.525 0.000 1.081 852 S CB 0.851 64.483 63.200 0.719 0.000 1.007 852 S HN 0.569 nan 8.310 nan 0.000 0.475 853 R N 3.314 123.971 120.500 0.262 0.000 2.387 853 R HA 0.562 4.917 4.340 0.024 0.000 0.314 853 R C -0.704 175.667 176.300 0.117 0.000 0.958 853 R CA -0.713 55.496 56.100 0.183 0.000 0.846 853 R CB 1.724 32.103 30.300 0.133 0.000 1.147 853 R HN 0.587 nan 8.270 nan 0.000 0.447 854 K N 0.777 121.237 120.400 0.101 0.000 2.443 854 K HA 0.459 4.793 4.320 0.024 0.000 0.251 854 K C -0.785 175.782 176.600 -0.055 0.000 0.972 854 K CA -0.940 55.327 56.287 -0.033 0.000 0.833 854 K CB 2.496 34.938 32.500 -0.097 0.000 1.317 854 K HN 0.607 nan 8.250 nan 0.000 0.441 855 T N -1.433 113.014 114.554 -0.178 0.000 2.893 855 T HA 0.557 4.921 4.350 0.024 0.000 0.293 855 T C -1.269 173.293 174.700 -0.229 0.000 1.027 855 T CA -0.727 61.307 62.100 -0.109 0.000 0.988 855 T CB 0.509 69.346 68.868 -0.052 0.000 1.043 855 T HN 0.412 nan 8.240 nan 0.000 0.461 856 Y N 0.995 121.258 120.300 -0.061 0.000 2.331 856 Y HA 0.619 5.184 4.550 0.024 0.000 0.334 856 Y C 0.444 176.269 175.900 -0.124 0.000 0.960 856 Y CA -1.053 57.025 58.100 -0.037 0.000 1.130 856 Y CB 1.866 40.331 38.460 0.007 0.000 1.164 856 Y HN 0.678 nan 8.280 nan 0.000 0.458 857 R N 4.528 125.045 120.500 0.029 0.000 2.393 857 R HA 0.663 5.017 4.340 0.024 0.000 0.315 857 R C -1.665 174.576 176.300 -0.098 0.000 0.952 857 R CA -0.461 55.608 56.100 -0.051 0.000 0.842 857 R CB 0.739 31.018 30.300 -0.035 0.000 1.163 857 R HN 0.794 nan 8.270 nan 0.000 0.450 858 I N 5.174 125.628 120.570 -0.193 0.000 2.355 858 I HA 0.203 4.387 4.170 0.024 0.000 0.288 858 I C -0.348 175.643 176.117 -0.209 0.000 0.999 858 I CA -0.805 60.304 61.300 -0.318 0.000 1.163 858 I CB 1.495 39.117 38.000 -0.630 0.000 1.316 858 I HN 0.680 nan 8.210 nan 0.000 0.454 859 D N 4.449 124.767 120.400 -0.138 0.000 2.442 859 D HA 0.231 4.885 4.640 0.024 0.000 0.254 859 D C 1.247 177.530 176.300 -0.027 0.000 1.069 859 D CA -0.808 53.153 54.000 -0.066 0.000 1.017 859 D CB 1.252 42.032 40.800 -0.033 0.000 1.172 859 D HN 0.497 nan 8.370 nan 0.000 0.561 860 G N -0.974 107.826 108.800 -0.000 0.000 2.527 860 G HA2 -0.215 3.759 3.960 0.024 0.000 0.219 860 G HA3 -0.215 3.759 3.960 0.024 0.000 0.219 860 G C 1.139 176.061 174.900 0.036 0.000 1.117 860 G CA 1.140 46.259 45.100 0.031 0.000 0.759 860 G HN 0.570 nan 8.290 nan 0.000 0.556 861 S N -1.194 114.516 115.700 0.017 0.000 2.548 861 S HA 0.377 4.861 4.470 0.024 0.000 0.215 861 S C 1.876 176.517 174.600 0.067 0.000 0.976 861 S CA 0.898 59.106 58.200 0.014 0.000 0.908 861 S CB 0.093 63.292 63.200 -0.002 0.000 0.781 861 S HN 1.439 nan 8.310 nan 0.000 0.519 862 G N 0.362 109.220 108.800 0.098 0.000 2.176 862 G HA2 -0.273 3.702 3.960 0.024 0.000 0.253 862 G HA3 -0.273 3.702 3.960 0.024 0.000 0.253 862 G C -0.109 174.908 174.900 0.196 0.000 0.979 862 G CA 0.163 45.394 45.100 0.219 0.000 0.641 862 G HN 0.600 nan 8.290 nan 0.000 0.530 863 Q N -0.243 119.613 119.800 0.095 0.000 2.288 863 Q HA 0.655 5.010 4.340 0.024 0.000 0.254 863 Q C 0.398 176.423 176.000 0.042 0.000 0.932 863 Q CA -0.046 55.819 55.803 0.104 0.000 0.902 863 Q CB 1.032 29.820 28.738 0.083 0.000 1.203 863 Q HN 0.453 nan 8.270 nan 0.000 0.415 864 M N 2.447 122.111 119.600 0.108 0.000 2.044 864 M HA 0.528 5.023 4.480 0.024 0.000 0.333 864 M C -1.377 175.016 176.300 0.155 0.000 1.004 864 M CA -0.572 54.759 55.300 0.052 0.000 0.954 864 M CB 0.880 33.522 32.600 0.070 0.000 1.468 864 M HN 0.678 nan 8.290 nan 0.000 0.414 865 A N 6.993 129.868 122.820 0.091 0.000 2.309 865 A HA 0.612 4.947 4.320 0.024 0.000 0.290 865 A C -0.623 176.998 177.584 0.062 0.000 1.206 865 A CA -0.536 51.556 52.037 0.092 0.000 0.850 865 A CB 0.003 19.037 19.000 0.056 0.000 1.118 865 A HN 0.917 nan 8.150 nan 0.000 0.523 866 I N 2.777 123.378 120.570 0.052 0.000 2.339 866 I HA 0.276 4.461 4.170 0.024 0.000 0.290 866 I C -0.051 175.963 176.117 -0.171 0.000 0.994 866 I CA -0.142 61.094 61.300 -0.106 0.000 1.191 866 I CB 1.811 39.785 38.000 -0.043 0.000 1.343 866 I HN 0.485 nan 8.210 nan 0.000 0.458 867 T N 5.923 120.334 114.554 -0.238 0.000 2.797 867 T HA 0.545 4.910 4.350 0.024 0.000 0.279 867 T C -0.280 174.220 174.700 -0.333 0.000 0.991 867 T CA -0.430 61.529 62.100 -0.235 0.000 0.979 867 T CB 1.942 70.766 68.868 -0.075 0.000 0.943 867 T HN 0.222 nan 8.240 nan 0.000 0.444 868 V N 3.823 123.426 119.914 -0.520 0.000 2.483 868 V HA 0.460 4.595 4.120 0.024 0.000 0.297 868 V C -0.804 175.139 176.094 -0.251 0.000 1.027 868 V CA -0.922 61.094 62.300 -0.473 0.000 0.855 868 V CB 1.980 33.254 31.823 -0.914 0.000 0.995 868 V HN 0.842 nan 8.190 nan 0.000 0.424 869 D N 3.427 123.836 120.400 0.014 0.000 2.492 869 D HA 0.562 5.216 4.640 0.024 0.000 0.248 869 D C -0.947 175.474 176.300 0.202 0.000 1.101 869 D CA -0.115 53.985 54.000 0.166 0.000 0.840 869 D CB 2.818 43.729 40.800 0.185 0.000 1.209 869 D HN 0.259 nan 8.370 nan 0.000 0.524 870 V N 2.340 122.409 119.914 0.260 0.000 2.628 870 V HA 0.318 4.452 4.120 0.024 0.000 0.306 870 V C 0.007 176.239 176.094 0.230 0.000 1.045 870 V CA -0.682 61.784 62.300 0.276 0.000 0.905 870 V CB 2.508 34.532 31.823 0.334 0.000 0.997 870 V HN 0.373 nan 8.190 nan 0.000 0.436 871 E N 2.272 122.593 120.200 0.201 0.000 2.199 871 E HA 0.644 5.009 4.350 0.024 0.000 0.269 871 E C -1.607 175.098 176.600 0.175 0.000 0.899 871 E CA -0.604 55.893 56.400 0.162 0.000 0.772 871 E CB 2.618 32.401 29.700 0.137 0.000 1.155 871 E HN 0.388 nan 8.360 nan 0.000 0.408 872 V N 2.151 122.171 119.914 0.177 0.000 2.443 872 V HA 0.356 4.490 4.120 0.024 0.000 0.293 872 V C 0.062 176.250 176.094 0.157 0.000 1.021 872 V CA -0.902 61.530 62.300 0.220 0.000 0.848 872 V CB 1.432 33.411 31.823 0.261 0.000 0.998 872 V HN 0.846 nan 8.190 nan 0.000 0.424 873 A N 3.588 126.462 122.820 0.090 0.000 2.565 873 A HA 0.264 4.599 4.320 0.024 0.000 0.237 873 A C 1.648 179.304 177.584 0.119 0.000 1.053 873 A CA 0.659 52.739 52.037 0.071 0.000 0.755 873 A CB 0.248 19.257 19.000 0.014 0.000 0.980 873 A HN 1.377 nan 8.150 nan 0.000 0.506 874 S N 1.008 116.773 115.700 0.107 0.000 2.419 874 S HA -0.158 4.326 4.470 0.024 0.000 0.233 874 S C 0.883 175.562 174.600 0.132 0.000 1.016 874 S CA 1.336 59.618 58.200 0.137 0.000 0.974 874 S CB -0.305 62.955 63.200 0.100 0.000 0.786 874 S HN 0.828 nan 8.310 nan 0.000 0.492 875 D N 0.362 120.815 120.400 0.088 0.000 2.328 875 D HA 0.136 4.791 4.640 0.024 0.000 0.221 875 D C 0.539 176.877 176.300 0.062 0.000 1.072 875 D CA 0.045 54.081 54.000 0.060 0.000 0.850 875 D CB -0.430 40.393 40.800 0.038 0.000 0.922 875 D HN 0.318 nan 8.370 nan 0.000 0.516 876 T N 1.301 115.919 114.554 0.107 0.000 2.922 876 T HA 0.393 4.758 4.350 0.024 0.000 0.285 876 T C -2.603 172.213 174.700 0.193 0.000 1.005 876 T CA -1.939 60.253 62.100 0.154 0.000 1.061 876 T CB 1.162 70.140 68.868 0.182 0.000 1.007 876 T HN -0.165 nan 8.240 nan 0.000 0.502 877 P HA 0.094 nan 4.420 nan 0.000 0.266 877 P C -0.620 177.002 177.300 0.537 0.000 1.195 877 P CA 0.099 63.312 63.100 0.188 0.000 0.768 877 P CB -0.083 31.708 31.700 0.153 0.000 0.838 878 H N 3.676 123.107 119.070 0.602 0.000 3.125 878 H HA 0.047 4.617 4.556 0.024 0.000 0.310 878 H C -1.549 174.130 175.328 0.586 0.000 0.980 878 H CA -1.208 55.138 56.048 0.497 0.000 1.422 878 H CB -0.393 29.601 29.762 0.387 0.000 1.432 878 H HN 0.391 nan 8.280 nan 0.000 0.577 879 P HA 0.009 nan 4.420 nan 0.000 0.274 879 P C 0.150 177.366 177.300 -0.141 0.000 1.237 879 P CA -0.296 62.889 63.100 0.142 0.000 0.793 879 P CB 1.094 32.673 31.700 -0.201 0.000 0.977 880 A N 2.931 125.393 122.820 -0.597 0.000 1.972 880 A HA -0.100 4.234 4.320 0.024 0.000 0.219 880 A C 1.057 178.245 177.584 -0.661 0.000 1.169 880 A CA 1.348 52.975 52.037 -0.684 0.000 0.635 880 A CB -0.551 17.806 19.000 -1.071 0.000 0.810 880 A HN 0.758 nan 8.150 nan 0.000 0.446 881 R N -2.961 117.194 120.500 -0.575 0.000 2.728 881 R HA 0.716 5.071 4.340 0.024 0.000 0.274 881 R C -1.680 174.386 176.300 -0.391 0.000 1.030 881 R CA -0.814 54.978 56.100 -0.514 0.000 0.876 881 R CB 0.757 30.728 30.300 -0.548 0.000 1.259 881 R HN -0.006 nan 8.270 nan 0.000 0.468 882 I N 1.148 121.519 120.570 -0.332 0.000 2.542 882 I HA 0.614 4.798 4.170 0.024 0.000 0.278 882 I C -0.489 175.400 176.117 -0.380 0.000 1.069 882 I CA -0.383 60.754 61.300 -0.270 0.000 1.100 882 I CB 1.791 39.684 38.000 -0.179 0.000 1.204 882 I HN 0.955 nan 8.210 nan 0.000 0.470 883 G N 5.644 114.164 108.800 -0.468 0.000 2.706 883 G HA2 0.788 4.763 3.960 0.024 0.000 0.307 883 G HA3 0.788 4.763 3.960 0.024 0.000 0.307 883 G C -1.621 173.109 174.900 -0.284 0.000 1.307 883 G CA -0.575 44.280 45.100 -0.408 0.000 0.790 883 G HN 0.250 nan 8.290 nan 0.000 0.503 884 L N 0.653 121.763 121.223 -0.189 0.000 2.309 884 L HA 0.668 5.022 4.340 0.024 0.000 0.261 884 L C -0.675 176.098 176.870 -0.162 0.000 1.021 884 L CA -1.154 53.609 54.840 -0.128 0.000 0.823 884 L CB 2.480 44.546 42.059 0.011 0.000 1.366 884 L HN 0.797 nan 8.230 nan 0.000 0.423 885 N N 0.404 119.037 118.700 -0.112 0.000 2.610 885 N HA 0.690 5.444 4.740 0.024 0.000 0.264 885 N C -1.268 174.248 175.510 0.010 0.000 1.348 885 N CA -0.589 52.423 53.050 -0.063 0.000 0.819 885 N CB 2.242 40.706 38.487 -0.037 0.000 1.521 885 N HN 0.863 nan 8.380 nan 0.000 0.497 886 C N -1.345 117.981 119.300 0.044 0.000 3.312 886 C HA 0.612 5.086 4.460 0.024 0.000 0.332 886 C C -1.275 173.583 174.990 -0.220 0.000 1.340 886 C CA -0.809 58.198 59.018 -0.018 0.000 1.265 886 C CB 1.023 28.768 27.740 0.009 0.000 1.563 886 C HN 0.866 nan 8.230 nan 0.000 0.471 887 Q N 1.474 120.920 119.800 -0.590 0.000 2.372 887 Q HA 0.638 4.992 4.340 0.024 0.000 0.259 887 Q C -1.044 174.670 176.000 -0.476 0.000 0.993 887 Q CA -0.439 54.751 55.803 -1.022 0.000 0.854 887 Q CB 0.910 28.648 28.738 -1.666 0.000 1.231 887 Q HN 0.783 nan 8.270 nan 0.000 0.462 888 L N 2.566 123.607 121.223 -0.303 0.000 2.417 888 L HA 0.238 4.592 4.340 0.024 0.000 0.268 888 L C 1.167 177.968 176.870 -0.115 0.000 1.158 888 L CA -0.132 54.650 54.840 -0.097 0.000 0.819 888 L CB 0.858 42.961 42.059 0.072 0.000 1.112 888 L HN 0.830 nan 8.230 nan 0.000 0.458 889 A N 2.397 125.179 122.820 -0.064 0.000 2.016 889 A HA -0.057 4.278 4.320 0.024 0.000 0.217 889 A C 0.903 178.469 177.584 -0.030 0.000 1.162 889 A CA 0.559 52.550 52.037 -0.076 0.000 0.662 889 A CB -0.266 18.684 19.000 -0.083 0.000 0.812 889 A HN 0.824 nan 8.150 nan 0.000 0.450 890 Q N -0.770 119.049 119.800 0.031 0.000 2.193 890 Q HA 0.635 4.990 4.340 0.024 0.000 0.246 890 Q C -1.229 174.806 176.000 0.058 0.000 0.959 890 Q CA -0.752 55.064 55.803 0.022 0.000 0.904 890 Q CB 1.511 30.257 28.738 0.013 0.000 1.238 890 Q HN 0.009 nan 8.270 nan 0.000 0.469 891 V N 0.587 120.503 119.914 0.002 0.000 2.540 891 V HA 0.785 4.920 4.120 0.024 0.000 0.302 891 V C -0.686 175.350 176.094 -0.098 0.000 1.035 891 V CA -0.491 61.831 62.300 0.036 0.000 0.873 891 V CB 1.290 33.132 31.823 0.031 0.000 0.992 891 V HN 0.946 nan 8.190 nan 0.000 0.428 892 A N 2.862 125.559 122.820 -0.204 0.000 2.413 892 A HA 0.718 5.052 4.320 0.024 0.000 0.307 892 A C 0.636 178.211 177.584 -0.016 0.000 1.087 892 A CA -0.486 51.378 52.037 -0.288 0.000 0.750 892 A CB 1.359 19.922 19.000 -0.728 0.000 1.296 892 A HN 0.755 nan 8.150 nan 0.000 0.423 893 E N 0.403 120.599 120.200 -0.006 0.000 2.106 893 E HA -0.065 4.299 4.350 0.024 0.000 0.192 893 E C 0.112 176.779 176.600 0.111 0.000 0.984 893 E CA 0.903 57.334 56.400 0.052 0.000 0.806 893 E CB 0.092 29.810 29.700 0.029 0.000 0.750 893 E HN 0.455 nan 8.360 nan 0.000 0.458 894 R N -0.026 120.553 120.500 0.133 0.000 2.888 894 R HA 0.563 4.918 4.340 0.024 0.000 0.266 894 R C -0.518 175.969 176.300 0.312 0.000 1.020 894 R CA -0.946 55.268 56.100 0.190 0.000 0.963 894 R CB 1.754 32.139 30.300 0.141 0.000 1.197 894 R HN -0.197 nan 8.270 nan 0.000 0.481 895 V N 1.745 121.849 119.914 0.316 0.000 2.531 895 V HA 0.394 4.528 4.120 0.024 0.000 0.301 895 V C -0.360 176.009 176.094 0.458 0.000 1.034 895 V CA -0.926 61.592 62.300 0.363 0.000 0.865 895 V CB 1.928 33.894 31.823 0.238 0.000 0.995 895 V HN 0.647 nan 8.190 nan 0.000 0.424 896 N N 4.499 123.449 118.700 0.416 0.000 2.346 896 N HA 0.537 5.291 4.740 0.024 0.000 0.289 896 N C -1.387 174.393 175.510 0.450 0.000 1.027 896 N CA -0.436 52.845 53.050 0.384 0.000 0.864 896 N CB 2.654 41.254 38.487 0.188 0.000 1.370 896 N HN 0.835 nan 8.380 nan 0.000 0.481 897 W N 3.204 124.543 121.300 0.064 0.000 3.118 897 W HA 0.609 5.283 4.660 0.024 0.000 0.328 897 W C -2.036 174.448 176.519 -0.058 0.000 1.239 897 W CA -1.109 56.249 57.345 0.022 0.000 1.176 897 W CB 0.805 30.309 29.460 0.074 0.000 1.433 897 W HN 0.213 nan 8.180 nan 0.000 0.562 898 L N 4.025 125.219 121.223 -0.049 0.000 2.324 898 L HA 0.906 5.261 4.340 0.024 0.000 0.274 898 L C -0.038 176.663 176.870 -0.281 0.000 1.012 898 L CA 0.220 54.825 54.840 -0.391 0.000 0.859 898 L CB 0.697 42.623 42.059 -0.222 0.000 1.224 898 L HN 0.971 nan 8.230 nan 0.000 0.429 899 G N 3.664 112.165 108.800 -0.498 0.000 2.348 899 G HA2 0.249 4.224 3.960 0.024 0.000 0.296 899 G HA3 0.249 4.224 3.960 0.024 0.000 0.296 899 G C -1.654 173.273 174.900 0.045 0.000 1.258 899 G CA -0.995 44.085 45.100 -0.034 0.000 0.868 899 G HN 0.411 nan 8.290 nan 0.000 0.488 900 L N 0.830 122.233 121.223 0.301 0.000 2.371 900 L HA 0.661 5.015 4.340 0.024 0.000 0.272 900 L C 1.042 178.058 176.870 0.244 0.000 1.124 900 L CA 0.600 55.583 54.840 0.240 0.000 0.816 900 L CB 0.847 42.990 42.059 0.139 0.000 1.129 900 L HN 1.196 nan 8.230 nan 0.000 0.448 901 G N 2.201 110.939 108.800 -0.104 0.000 2.325 901 G HA2 0.220 4.195 3.960 0.024 0.000 0.295 901 G HA3 0.220 4.195 3.960 0.024 0.000 0.295 901 G C -2.773 171.332 174.900 -1.325 0.000 1.274 901 G CA -0.250 44.430 45.100 -0.699 0.000 0.857 901 G HN 0.324 nan 8.290 nan 0.000 0.499 902 P HA 0.082 nan 4.420 nan 0.000 0.230 902 P C 0.489 177.579 177.300 -0.349 0.000 1.168 902 P CA 0.628 63.025 63.100 -1.172 0.000 0.793 902 P CB 0.504 31.595 31.700 -1.015 0.000 0.851 903 Q N 0.515 120.115 119.800 -0.333 0.000 2.318 903 Q HA 0.138 4.493 4.340 0.024 0.000 0.222 903 Q C 0.419 176.312 176.000 -0.179 0.000 1.003 903 Q CA -0.581 55.106 55.803 -0.194 0.000 0.936 903 Q CB 0.624 29.265 28.738 -0.162 0.000 1.204 903 Q HN 0.137 nan 8.270 nan 0.000 0.524 904 E N 1.270 121.372 120.200 -0.163 0.000 2.502 904 E HA -0.119 4.245 4.350 0.024 0.000 0.261 904 E C -1.122 175.405 176.600 -0.122 0.000 0.974 904 E CA 0.305 56.601 56.400 -0.173 0.000 0.936 904 E CB 0.257 29.921 29.700 -0.061 0.000 0.926 904 E HN 0.592 nan 8.360 nan 0.000 0.459 905 N N 2.577 121.128 118.700 -0.247 0.000 2.405 905 N HA 0.326 5.080 4.740 0.024 0.000 0.274 905 N C -1.876 173.396 175.510 -0.397 0.000 1.170 905 N CA -0.669 52.289 53.050 -0.153 0.000 0.848 905 N CB 0.714 39.130 38.487 -0.119 0.000 1.629 905 N HN 0.251 nan 8.380 nan 0.000 0.481 906 Y N -0.313 119.895 120.300 -0.154 0.000 2.630 906 Y HA 0.519 5.083 4.550 0.024 0.000 0.337 906 Y C -1.624 174.194 175.900 -0.136 0.000 1.051 906 Y CA -2.028 55.964 58.100 -0.179 0.000 1.121 906 Y CB 1.767 40.117 38.460 -0.183 0.000 1.299 906 Y HN 0.435 nan 8.280 nan 0.000 0.498 907 P HA -0.177 nan 4.420 nan 0.000 0.215 907 P C 0.439 177.593 177.300 -0.244 0.000 1.157 907 P CA 2.147 65.265 63.100 0.031 0.000 0.874 907 P CB 0.163 31.994 31.700 0.219 0.000 0.790 908 D N -2.041 117.958 120.400 -0.668 0.000 2.325 908 D HA -0.018 4.636 4.640 0.024 0.000 0.225 908 D C 0.713 176.855 176.300 -0.263 0.000 1.096 908 D CA 0.127 53.544 54.000 -0.973 0.000 0.844 908 D CB -0.321 39.653 40.800 -1.377 0.000 0.925 908 D HN 0.142 nan 8.370 nan 0.000 0.513 909 R N 0.930 121.377 120.500 -0.088 0.000 2.640 909 R HA 0.189 4.544 4.340 0.024 0.000 0.240 909 R C -0.678 175.656 176.300 0.056 0.000 1.519 909 R CA -0.175 55.944 56.100 0.031 0.000 1.570 909 R CB -0.009 30.316 30.300 0.042 0.000 1.446 909 R HN 0.113 nan 8.270 nan 0.000 0.738 910 L N -1.757 119.506 121.223 0.066 0.000 3.410 910 L HA 0.356 4.710 4.340 0.024 0.000 0.309 910 L C 1.322 178.248 176.870 0.094 0.000 1.254 910 L CA 0.073 54.950 54.840 0.061 0.000 1.048 910 L CB 0.284 42.368 42.059 0.043 0.000 1.442 910 L HN 0.096 nan 8.230 nan 0.000 0.615 911 T N -2.553 112.084 114.554 0.138 0.000 2.867 911 T HA -0.007 4.357 4.350 0.024 0.000 0.268 911 T C 1.802 176.525 174.700 0.039 0.000 1.057 911 T CA 1.321 63.523 62.100 0.169 0.000 1.136 911 T CB -0.331 68.699 68.868 0.271 0.000 0.874 911 T HN 0.383 nan 8.240 nan 0.000 0.466 912 A N 1.665 124.511 122.820 0.043 0.000 2.066 912 A HA 0.626 4.961 4.320 0.024 0.000 0.218 912 A C 1.626 179.277 177.584 0.113 0.000 1.157 912 A CA 0.577 52.594 52.037 -0.034 0.000 0.670 912 A CB -0.970 18.160 19.000 0.216 0.000 0.804 912 A HN 0.853 nan 8.150 nan 0.000 0.453 913 A N -1.146 121.697 122.820 0.039 0.000 2.386 913 A HA 0.458 4.792 4.320 0.024 0.000 0.248 913 A C 0.009 177.622 177.584 0.048 0.000 1.082 913 A CA -0.097 51.933 52.037 -0.013 0.000 0.789 913 A CB -0.054 18.929 19.000 -0.029 0.000 1.025 913 A HN 0.471 nan 8.150 nan 0.000 0.490 914 C N 0.546 119.878 119.300 0.053 0.000 2.493 914 C HA 0.537 5.011 4.460 0.024 0.000 0.326 914 C C -0.110 174.983 174.990 0.172 0.000 1.200 914 C CA -0.467 58.635 59.018 0.140 0.000 1.739 914 C CB 0.701 28.546 27.740 0.174 0.000 2.300 914 C HN 0.774 nan 8.230 nan 0.000 0.500 915 F N 3.799 123.582 119.950 -0.279 0.000 2.471 915 F HA 0.462 5.003 4.527 0.024 0.000 0.365 915 F C 0.388 175.843 175.800 -0.576 0.000 1.095 915 F CA 1.197 58.852 58.000 -0.575 0.000 1.174 915 F CB -0.083 37.961 39.000 -1.594 0.000 1.105 915 F HN 0.622 nan 8.300 nan 0.000 0.535 916 D N 3.205 122.918 120.400 -1.145 0.000 2.879 916 D HA 0.175 4.829 4.640 0.024 0.000 0.346 916 D C -1.629 173.758 176.300 -1.522 0.000 1.390 916 D CA -0.736 52.507 54.000 -1.262 0.000 0.838 916 D CB 1.402 41.411 40.800 -1.318 0.000 1.416 916 D HN 0.479 nan 8.370 nan 0.000 0.493 917 R N 0.805 120.504 120.500 -1.334 0.000 2.215 917 R HA 0.506 4.860 4.340 0.024 0.000 0.336 917 R C -1.351 174.242 176.300 -1.178 0.000 0.996 917 R CA -0.298 55.183 56.100 -1.031 0.000 0.847 917 R CB 0.190 30.138 30.300 -0.587 0.000 1.127 917 R HN 0.264 nan 8.270 nan 0.000 0.465 918 W N 2.658 123.425 121.300 -0.889 0.000 2.627 918 W HA 0.392 5.066 4.660 0.024 0.000 0.339 918 W C -0.372 175.774 176.519 -0.622 0.000 1.058 918 W CA -0.698 56.074 57.345 -0.956 0.000 1.223 918 W CB 1.664 30.028 29.460 -1.827 0.000 1.389 918 W HN 0.382 nan 8.180 nan 0.000 0.541 919 D N 2.926 123.313 120.400 -0.022 0.000 2.602 919 D HA 0.442 5.097 4.640 0.024 0.000 0.245 919 D C -1.480 174.942 176.300 0.203 0.000 1.325 919 D CA -0.163 53.912 54.000 0.125 0.000 0.952 919 D CB 0.889 41.715 40.800 0.043 0.000 1.317 919 D HN 0.361 nan 8.370 nan 0.000 0.577 920 L N 3.268 124.689 121.223 0.330 0.000 2.350 920 L HA 0.584 4.938 4.340 0.024 0.000 0.260 920 L C -2.244 174.747 176.870 0.201 0.000 1.015 920 L CA -2.202 52.784 54.840 0.243 0.000 0.821 920 L CB 2.661 44.885 42.059 0.274 0.000 1.370 920 L HN 0.182 nan 8.230 nan 0.000 0.416 921 P HA 0.013 nan 4.420 nan 0.000 0.272 921 P C 0.551 177.924 177.300 0.121 0.000 1.223 921 P CA -0.363 62.807 63.100 0.117 0.000 0.784 921 P CB 0.893 32.641 31.700 0.081 0.000 0.923 922 L N 3.348 124.647 121.223 0.126 0.000 2.043 922 L HA -0.260 4.095 4.340 0.024 0.000 0.212 922 L C 2.346 179.251 176.870 0.059 0.000 1.075 922 L CA 2.781 57.680 54.840 0.099 0.000 0.752 922 L CB -1.580 40.548 42.059 0.116 0.000 0.891 922 L HN 0.488 nan 8.230 nan 0.000 0.432 923 S N -1.777 113.962 115.700 0.065 0.000 2.399 923 S HA -0.186 4.298 4.470 0.024 0.000 0.231 923 S C 1.640 176.303 174.600 0.104 0.000 1.022 923 S CA 1.141 59.393 58.200 0.087 0.000 0.983 923 S CB -0.810 62.440 63.200 0.082 0.000 0.803 923 S HN 0.520 nan 8.310 nan 0.000 0.480 924 D N 1.202 121.640 120.400 0.063 0.000 2.378 924 D HA 0.050 4.705 4.640 0.024 0.000 0.222 924 D C 1.142 177.437 176.300 -0.009 0.000 0.980 924 D CA 0.651 54.667 54.000 0.026 0.000 0.907 924 D CB -0.164 40.658 40.800 0.038 0.000 0.899 924 D HN 0.403 nan 8.370 nan 0.000 0.527 925 M N -0.488 119.114 119.600 0.004 0.000 2.494 925 M HA 0.068 4.563 4.480 0.024 0.000 0.232 925 M C -0.120 176.172 176.300 -0.014 0.000 1.137 925 M CA -0.102 55.153 55.300 -0.075 0.000 1.012 925 M CB -0.711 31.825 32.600 -0.106 0.000 1.567 925 M HN -0.055 nan 8.290 nan 0.000 0.486 926 Y N 0.007 120.256 120.300 -0.085 0.000 2.376 926 Y HA 0.504 5.068 4.550 0.024 0.000 0.340 926 Y C -0.797 175.060 175.900 -0.072 0.000 0.965 926 Y CA -1.015 57.061 58.100 -0.040 0.000 1.078 926 Y CB 1.300 39.787 38.460 0.046 0.000 1.193 926 Y HN -0.117 nan 8.280 nan 0.000 0.452 927 T N 9.114 123.189 114.554 -0.799 0.000 2.743 927 T HA 0.286 4.651 4.350 0.024 0.000 0.292 927 T C -2.657 171.295 174.700 -1.246 0.000 0.972 927 T CA -1.480 60.084 62.100 -0.894 0.000 0.967 927 T CB 1.050 69.481 68.868 -0.729 0.000 0.926 927 T HN 0.460 nan 8.240 nan 0.000 0.459 928 P HA 0.138 nan 4.420 nan 0.000 0.218 928 P C -0.643 176.533 177.300 -0.206 0.000 1.793 928 P CA -0.471 62.246 63.100 -0.639 0.000 0.941 928 P CB -0.710 30.742 31.700 -0.413 0.000 1.919 929 Y N -0.289 119.967 120.300 -0.073 0.000 2.712 929 Y HA -0.104 4.460 4.550 0.024 0.000 0.333 929 Y C 2.292 178.246 175.900 0.089 0.000 1.225 929 Y CA -0.407 57.701 58.100 0.013 0.000 1.499 929 Y CB 0.492 38.887 38.460 -0.108 0.000 1.288 929 Y HN -0.089 nan 8.280 nan 0.000 0.575 930 V N 3.536 123.668 119.914 0.363 0.000 2.324 930 V HA -0.317 3.818 4.120 0.024 0.000 0.250 930 V C 0.555 176.817 176.094 0.279 0.000 1.060 930 V CA 1.514 64.008 62.300 0.324 0.000 1.042 930 V CB -0.552 31.498 31.823 0.379 0.000 0.650 930 V HN 0.588 nan 8.190 nan 0.000 0.450 931 F N 3.115 123.103 119.950 0.063 0.000 2.350 931 F HA 0.519 5.061 4.527 0.024 0.000 0.365 931 F C -2.457 173.339 175.800 -0.005 0.000 1.122 931 F CA -3.568 54.414 58.000 -0.031 0.000 1.139 931 F CB 0.680 39.553 39.000 -0.211 0.000 1.220 931 F HN -0.002 nan 8.300 nan 0.000 0.499 932 P HA 0.279 nan 4.420 nan 0.000 0.271 932 P C -0.982 176.011 177.300 -0.512 0.000 1.218 932 P CA 0.076 62.940 63.100 -0.392 0.000 0.780 932 P CB 1.245 32.738 31.700 -0.344 0.000 0.901 933 S N -0.364 115.225 115.700 -0.186 0.000 2.724 933 S HA 0.428 4.912 4.470 0.024 0.000 0.278 933 S C -0.834 173.751 174.600 -0.025 0.000 1.190 933 S CA -0.948 57.175 58.200 -0.128 0.000 0.860 933 S CB 0.261 63.417 63.200 -0.073 0.000 1.206 933 S HN 0.344 nan 8.310 nan 0.000 0.507 934 E N 1.285 121.483 120.200 -0.002 0.000 2.502 934 E HA 0.380 4.745 4.350 0.024 0.000 0.261 934 E C -0.199 176.449 176.600 0.081 0.000 0.974 934 E CA 0.708 57.137 56.400 0.048 0.000 0.936 934 E CB -0.209 29.545 29.700 0.089 0.000 0.926 934 E HN 0.779 nan 8.360 nan 0.000 0.459 935 N N 1.458 120.243 118.700 0.142 0.000 3.020 935 N HA 0.486 5.240 4.740 0.024 0.000 0.248 935 N C 0.127 175.702 175.510 0.108 0.000 1.480 935 N CA -0.567 52.608 53.050 0.209 0.000 0.874 935 N CB 0.893 39.509 38.487 0.215 0.000 1.433 935 N HN 0.714 nan 8.380 nan 0.000 0.530 936 G N -1.258 107.569 108.800 0.045 0.000 2.155 936 G HA2 -0.267 3.708 3.960 0.024 0.000 0.257 936 G HA3 -0.267 3.708 3.960 0.024 0.000 0.257 936 G C -0.224 174.424 174.900 -0.420 0.000 0.983 936 G CA 0.490 45.490 45.100 -0.167 0.000 0.676 936 G HN 0.685 nan 8.290 nan 0.000 0.528 937 L N -0.243 120.653 121.223 -0.546 0.000 2.482 937 L HA 0.691 5.045 4.340 0.024 0.000 0.273 937 L C 0.677 176.971 176.870 -0.960 0.000 1.228 937 L CA 0.316 54.596 54.840 -0.933 0.000 0.827 937 L CB 0.568 41.741 42.059 -1.477 0.000 1.099 937 L HN 0.243 nan 8.230 nan 0.000 0.494 938 R N 2.001 121.855 120.500 -1.076 0.000 2.532 938 R HA 0.505 4.859 4.340 0.024 0.000 0.297 938 R C -0.992 174.981 176.300 -0.544 0.000 0.984 938 R CA -0.281 55.332 56.100 -0.812 0.000 0.884 938 R CB 1.411 31.127 30.300 -0.974 0.000 1.182 938 R HN 0.698 nan 8.270 nan 0.000 0.442 939 C N 0.149 119.274 119.300 -0.292 0.000 2.484 939 C HA 0.733 5.207 4.460 0.024 0.000 0.409 939 C C 1.236 176.222 174.990 -0.008 0.000 1.434 939 C CA -0.038 58.884 59.018 -0.160 0.000 1.913 939 C CB 1.330 28.996 27.740 -0.124 0.000 2.028 939 C HN 1.018 nan 8.230 nan 0.000 0.516 940 G N 1.687 110.490 108.800 0.006 0.000 2.356 940 G HA2 -0.182 3.793 3.960 0.024 0.000 0.296 940 G HA3 -0.182 3.793 3.960 0.024 0.000 0.296 940 G C -0.077 174.898 174.900 0.126 0.000 1.022 940 G CA 0.619 45.769 45.100 0.083 0.000 0.961 940 G HN 0.790 nan 8.290 nan 0.000 0.510 941 T N -0.166 114.336 114.554 -0.085 0.000 2.799 941 T HA 0.554 4.919 4.350 0.024 0.000 0.286 941 T C 1.254 175.633 174.700 -0.536 0.000 0.973 941 T CA -0.670 61.320 62.100 -0.184 0.000 1.035 941 T CB 1.491 70.326 68.868 -0.054 0.000 0.932 941 T HN 0.198 nan 8.240 nan 0.000 0.469 942 R N 1.383 121.789 120.500 -0.158 0.000 2.279 942 R HA 0.299 4.653 4.340 0.024 0.000 0.195 942 R C 0.465 176.771 176.300 0.011 0.000 0.905 942 R CA 0.202 56.262 56.100 -0.067 0.000 1.044 942 R CB 0.406 30.812 30.300 0.176 0.000 1.056 942 R HN 0.689 nan 8.270 nan 0.000 0.535 943 E N 0.520 120.744 120.200 0.040 0.000 2.304 943 E HA 0.363 4.728 4.350 0.024 0.000 0.277 943 E C -1.834 174.904 176.600 0.231 0.000 0.898 943 E CA -0.678 55.832 56.400 0.183 0.000 0.764 943 E CB 1.526 31.306 29.700 0.133 0.000 1.216 943 E HN -0.091 nan 8.360 nan 0.000 0.419 944 L N 4.185 125.605 121.223 0.329 0.000 2.410 944 L HA 0.593 4.948 4.340 0.024 0.000 0.270 944 L C -1.898 175.163 176.870 0.319 0.000 0.983 944 L CA -0.391 54.579 54.840 0.217 0.000 0.822 944 L CB 1.795 43.822 42.059 -0.053 0.000 1.285 944 L HN 0.464 nan 8.230 nan 0.000 0.409 945 N N 4.508 123.366 118.700 0.264 0.000 2.354 945 N HA 0.408 5.163 4.740 0.024 0.000 0.287 945 N C -1.968 173.768 175.510 0.378 0.000 1.016 945 N CA -0.275 52.934 53.050 0.266 0.000 0.871 945 N CB 2.173 40.759 38.487 0.165 0.000 1.299 945 N HN 0.598 nan 8.380 nan 0.000 0.482 946 Y N 1.169 121.619 120.300 0.249 0.000 2.330 946 Y HA 0.405 4.969 4.550 0.024 0.000 0.324 946 Y C 0.623 176.644 175.900 0.201 0.000 1.093 946 Y CA 0.085 58.330 58.100 0.241 0.000 1.103 946 Y CB 0.642 39.302 38.460 0.333 0.000 1.183 946 Y HN 0.862 nan 8.280 nan 0.000 0.433 947 G N 6.588 115.236 108.800 -0.252 0.000 2.574 947 G HA2 -0.287 3.688 3.960 0.024 0.000 0.286 947 G HA3 -0.287 3.688 3.960 0.024 0.000 0.286 947 G C -1.872 172.925 174.900 -0.170 0.000 1.212 947 G CA 0.081 45.020 45.100 -0.268 0.000 0.979 947 G HN 0.577 nan 8.290 nan 0.000 0.557 948 P HA 0.171 nan 4.420 nan 0.000 0.255 948 P C 0.071 177.170 177.300 -0.334 0.000 1.248 948 P CA 0.540 63.462 63.100 -0.297 0.000 0.807 948 P CB 0.007 31.478 31.700 -0.382 0.000 1.150 949 H N 0.475 119.495 119.070 -0.083 0.000 2.467 949 H HA 0.437 5.008 4.556 0.024 0.000 0.331 949 H C -0.085 174.976 175.328 -0.445 0.000 1.120 949 H CA -0.067 55.812 56.048 -0.283 0.000 1.270 949 H CB 1.759 31.195 29.762 -0.543 0.000 1.466 949 H HN 0.106 nan 8.280 nan 0.000 0.504 950 Q N 2.806 122.360 119.800 -0.409 0.000 2.323 950 Q HA 0.244 4.599 4.340 0.024 0.000 0.271 950 Q C -1.583 174.143 176.000 -0.456 0.000 1.048 950 Q CA -0.743 54.898 55.803 -0.270 0.000 0.792 950 Q CB 2.065 30.782 28.738 -0.035 0.000 1.280 950 Q HN 0.584 nan 8.270 nan 0.000 0.441 951 W N 3.976 125.248 121.300 -0.045 0.000 2.600 951 W HA 0.537 5.211 4.660 0.024 0.000 0.325 951 W C -0.346 176.274 176.519 0.168 0.000 1.034 951 W CA -0.695 56.593 57.345 -0.094 0.000 1.226 951 W CB 1.969 31.166 29.460 -0.438 0.000 1.379 951 W HN 0.546 nan 8.180 nan 0.000 0.466 952 R N 0.921 121.664 120.500 0.405 0.000 2.670 952 R HA 0.806 5.161 4.340 0.024 0.000 0.289 952 R C 0.308 176.890 176.300 0.469 0.000 0.965 952 R CA -0.363 55.986 56.100 0.416 0.000 0.899 952 R CB 2.341 32.792 30.300 0.250 0.000 1.173 952 R HN 0.720 nan 8.270 nan 0.000 0.456 953 G N 0.675 109.739 108.800 0.440 0.000 2.566 953 G HA2 0.032 4.006 3.960 0.024 0.000 0.138 953 G HA3 0.032 4.006 3.960 0.024 0.000 0.138 953 G C -1.726 173.286 174.900 0.187 0.000 1.133 953 G CA -0.334 44.994 45.100 0.379 0.000 1.037 953 G HN 0.488 nan 8.290 nan 0.000 0.491 954 D N 0.040 120.550 120.400 0.183 0.000 2.411 954 D HA 0.572 5.226 4.640 0.024 0.000 0.239 954 D C -0.767 175.542 176.300 0.015 0.000 1.307 954 D CA -0.470 53.531 54.000 0.000 0.000 0.930 954 D CB 0.157 40.995 40.800 0.063 0.000 1.395 954 D HN 0.517 nan 8.370 nan 0.000 0.536 955 F N -0.307 119.647 119.950 0.006 0.000 2.726 955 F HA 0.726 5.268 4.527 0.024 0.000 0.324 955 F C -0.944 174.824 175.800 -0.053 0.000 1.140 955 F CA -1.034 56.910 58.000 -0.093 0.000 0.964 955 F CB 0.749 39.694 39.000 -0.091 0.000 1.399 955 F HN -0.180 nan 8.300 nan 0.000 0.491 956 Q N 1.602 121.504 119.800 0.169 0.000 2.306 956 Q HA 0.616 4.970 4.340 0.024 0.000 0.265 956 Q C -1.274 174.806 176.000 0.133 0.000 1.022 956 Q CA -0.504 55.307 55.803 0.013 0.000 0.853 956 Q CB 2.645 31.275 28.738 -0.180 0.000 1.327 956 Q HN 0.844 nan 8.270 nan 0.000 0.449 957 F N -0.896 118.954 119.950 -0.166 0.000 2.645 957 F HA 0.758 5.299 4.527 0.024 0.000 0.310 957 F C -1.397 174.188 175.800 -0.360 0.000 1.102 957 F CA -1.098 56.749 58.000 -0.254 0.000 0.952 957 F CB 1.674 40.535 39.000 -0.232 0.000 1.326 957 F HN 0.550 nan 8.300 nan 0.000 0.456 958 N N 1.735 120.253 118.700 -0.303 0.000 2.284 958 N HA 0.716 5.470 4.740 0.024 0.000 0.289 958 N C -2.107 173.330 175.510 -0.121 0.000 1.179 958 N CA -0.742 52.108 53.050 -0.332 0.000 0.774 958 N CB 2.581 40.890 38.487 -0.296 0.000 1.548 958 N HN 1.121 nan 8.380 nan 0.000 0.473 959 I N 0.455 120.945 120.570 -0.134 0.000 2.610 959 I HA 0.698 4.883 4.170 0.024 0.000 0.289 959 I C -1.396 174.625 176.117 -0.160 0.000 1.163 959 I CA 0.035 61.224 61.300 -0.186 0.000 1.044 959 I CB 1.371 39.194 38.000 -0.296 0.000 1.251 959 I HN 1.054 nan 8.210 nan 0.000 0.424 960 S N 6.015 121.632 115.700 -0.140 0.000 2.655 960 S HA 0.491 4.975 4.470 0.024 0.000 0.266 960 S C -0.180 174.292 174.600 -0.214 0.000 1.149 960 S CA -1.015 57.080 58.200 -0.174 0.000 0.818 960 S CB 1.523 64.660 63.200 -0.104 0.000 1.130 960 S HN 0.622 nan 8.310 nan 0.000 0.476 961 R N -0.144 120.044 120.500 -0.520 0.000 2.319 961 R HA 0.234 4.589 4.340 0.024 0.000 0.204 961 R C -0.798 175.239 176.300 -0.438 0.000 0.954 961 R CA 0.364 56.166 56.100 -0.497 0.000 1.066 961 R CB -1.013 28.921 30.300 -0.610 0.000 0.991 961 R HN 0.668 nan 8.270 nan 0.000 0.486 962 Y N 0.241 120.523 120.300 -0.030 0.000 2.350 962 Y HA 0.194 4.758 4.550 0.024 0.000 0.338 962 Y C 0.676 176.363 175.900 -0.354 0.000 0.961 962 Y CA -1.176 56.817 58.100 -0.179 0.000 1.100 962 Y CB 1.487 39.787 38.460 -0.268 0.000 1.179 962 Y HN -0.092 nan 8.280 nan 0.000 0.454 963 S N 1.594 116.941 115.700 -0.587 0.000 2.593 963 S HA 0.040 4.524 4.470 0.024 0.000 0.269 963 S C 0.882 175.124 174.600 -0.598 0.000 1.334 963 S CA -0.752 56.693 58.200 -1.258 0.000 1.015 963 S CB 1.155 63.485 63.200 -1.450 0.000 0.912 963 S HN 0.726 nan 8.310 nan 0.000 0.541 964 Q N 0.688 120.161 119.800 -0.545 0.000 2.124 964 Q HA -0.199 4.155 4.340 0.024 0.000 0.202 964 Q C 2.230 178.083 176.000 -0.246 0.000 0.977 964 Q CA 1.773 57.404 55.803 -0.286 0.000 0.850 964 Q CB -0.549 28.057 28.738 -0.221 0.000 0.901 964 Q HN 0.966 nan 8.270 nan 0.000 0.429 965 Q N 0.711 120.327 119.800 -0.306 0.000 2.061 965 Q HA -0.242 4.113 4.340 0.024 0.000 0.204 965 Q C 2.115 177.999 176.000 -0.192 0.000 0.984 965 Q CA 1.692 57.373 55.803 -0.204 0.000 0.846 965 Q CB 0.001 28.635 28.738 -0.174 0.000 0.902 965 Q HN 0.425 nan 8.270 nan 0.000 0.421 966 Q N 0.003 119.656 119.800 -0.243 0.000 2.050 966 Q HA -0.165 4.189 4.340 0.024 0.000 0.202 966 Q C 2.242 178.102 176.000 -0.234 0.000 0.980 966 Q CA 1.390 57.056 55.803 -0.227 0.000 0.840 966 Q CB -0.084 28.486 28.738 -0.280 0.000 0.898 966 Q HN 0.488 nan 8.270 nan 0.000 0.424 967 L N 0.610 121.691 121.223 -0.238 0.000 2.083 967 L HA -0.209 4.145 4.340 0.024 0.000 0.209 967 L C 2.713 179.442 176.870 -0.236 0.000 1.083 967 L CA 1.475 56.170 54.840 -0.241 0.000 0.752 967 L CB -0.481 41.474 42.059 -0.174 0.000 0.899 967 L HN 0.485 nan 8.230 nan 0.000 0.433 968 M N -1.384 118.111 119.600 -0.176 0.000 2.419 968 M HA -0.083 4.412 4.480 0.024 0.000 0.264 968 M C 1.316 177.540 176.300 -0.127 0.000 1.082 968 M CA 1.595 56.810 55.300 -0.141 0.000 1.119 968 M CB -0.228 32.309 32.600 -0.105 0.000 1.398 968 M HN 0.121 nan 8.290 nan 0.000 0.453 969 E N 1.014 121.136 120.200 -0.131 0.000 2.479 969 E HA 0.107 4.471 4.350 0.024 0.000 0.193 969 E C -0.424 176.119 176.600 -0.095 0.000 1.049 969 E CA 0.128 56.473 56.400 -0.092 0.000 0.870 969 E CB 0.519 30.172 29.700 -0.077 0.000 0.944 969 E HN 0.433 nan 8.360 nan 0.000 0.492 970 T N 0.196 114.657 114.554 -0.155 0.000 2.809 970 T HA 0.095 4.459 4.350 0.024 0.000 0.284 970 T C 1.042 175.631 174.700 -0.185 0.000 0.992 970 T CA -0.526 61.480 62.100 -0.156 0.000 0.957 970 T CB 1.731 70.472 68.868 -0.212 0.000 0.942 970 T HN 0.015 nan 8.240 nan 0.000 0.439 971 S N 2.090 117.786 115.700 -0.007 0.000 2.414 971 S HA 0.009 4.494 4.470 0.024 0.000 0.227 971 S C 0.337 175.004 174.600 0.112 0.000 1.022 971 S CA 0.561 58.862 58.200 0.169 0.000 0.958 971 S CB -0.305 63.127 63.200 0.388 0.000 0.797 971 S HN 0.759 nan 8.310 nan 0.000 0.493 972 H N 0.368 119.448 119.070 0.017 0.000 2.679 972 H HA 0.518 5.088 4.556 0.024 0.000 0.360 972 H C 0.937 176.237 175.328 -0.046 0.000 1.105 972 H CA -0.679 55.427 56.048 0.098 0.000 1.196 972 H CB 1.557 31.379 29.762 0.100 0.000 1.636 972 H HN 0.174 nan 8.280 nan 0.000 0.531 973 R N 1.922 122.525 120.500 0.172 0.000 2.127 973 R HA -0.174 4.180 4.340 0.024 0.000 0.238 973 R C 1.169 177.484 176.300 0.025 0.000 1.134 973 R CA 1.878 58.013 56.100 0.058 0.000 0.975 973 R CB -0.436 29.941 30.300 0.129 0.000 0.865 973 R HN 0.775 nan 8.270 nan 0.000 0.447 974 H N 0.901 119.969 119.070 -0.004 0.000 2.521 974 H HA 0.023 4.594 4.556 0.024 0.000 0.286 974 H C 1.440 176.682 175.328 -0.143 0.000 1.034 974 H CA 0.756 56.761 56.048 -0.071 0.000 1.278 974 H CB -0.135 29.572 29.762 -0.092 0.000 1.386 974 H HN 0.313 nan 8.280 nan 0.000 0.567 975 L N 0.941 121.806 121.223 -0.596 0.000 2.607 975 L HA 0.232 4.586 4.340 0.024 0.000 0.228 975 L C 0.488 177.207 176.870 -0.253 0.000 1.123 975 L CA -0.150 54.395 54.840 -0.493 0.000 0.890 975 L CB 0.184 41.907 42.059 -0.560 0.000 1.103 975 L HN 0.059 nan 8.230 nan 0.000 0.468 976 L N 0.909 121.978 121.223 -0.257 0.000 2.397 976 L HA 0.180 4.534 4.340 0.024 0.000 0.271 976 L C 0.151 176.963 176.870 -0.098 0.000 1.148 976 L CA -0.200 54.447 54.840 -0.322 0.000 0.825 976 L CB 0.532 42.173 42.059 -0.697 0.000 1.117 976 L HN 0.190 nan 8.230 nan 0.000 0.456 977 H N 1.892 120.946 119.070 -0.027 0.000 2.589 977 H HA 0.571 5.142 4.556 0.024 0.000 0.351 977 H C -0.709 174.741 175.328 0.204 0.000 1.074 977 H CA -1.228 54.865 56.048 0.076 0.000 1.203 977 H CB 1.348 31.120 29.762 0.017 0.000 1.558 977 H HN 0.679 nan 8.280 nan 0.000 0.522 978 A N 3.913 126.890 122.820 0.263 0.000 2.548 978 A HA 0.057 4.392 4.320 0.024 0.000 0.247 978 A C 0.403 178.076 177.584 0.147 0.000 1.067 978 A CA -0.097 51.975 52.037 0.058 0.000 0.757 978 A CB -0.123 18.858 19.000 -0.031 0.000 0.996 978 A HN 0.855 nan 8.150 nan 0.000 0.504 979 E N 1.179 121.441 120.200 0.103 0.000 2.351 979 E HA 0.200 4.564 4.350 0.024 0.000 0.255 979 E C -0.024 176.625 176.600 0.083 0.000 1.188 979 E CA -0.632 55.881 56.400 0.188 0.000 0.940 979 E CB 0.688 30.565 29.700 0.295 0.000 1.094 979 E HN 0.794 nan 8.360 nan 0.000 0.474 980 E N -0.065 120.173 120.200 0.063 0.000 2.383 980 E HA 0.248 4.613 4.350 0.024 0.000 0.264 980 E C 0.283 176.835 176.600 -0.079 0.000 1.050 980 E CA 0.531 56.927 56.400 -0.008 0.000 0.896 980 E CB 0.555 30.244 29.700 -0.018 0.000 0.982 980 E HN 0.663 nan 8.360 nan 0.000 0.424 981 G N 2.404 111.159 108.800 -0.076 0.000 2.593 981 G HA2 -0.224 3.750 3.960 0.024 0.000 0.237 981 G HA3 -0.224 3.750 3.960 0.024 0.000 0.237 981 G C -0.643 174.191 174.900 -0.110 0.000 1.312 981 G CA -0.174 44.861 45.100 -0.108 0.000 0.896 981 G HN 0.601 nan 8.290 nan 0.000 0.574 982 T N 0.182 114.647 114.554 -0.148 0.000 2.879 982 T HA 0.500 4.864 4.350 0.024 0.000 0.290 982 T C -0.799 173.753 174.700 -0.246 0.000 0.993 982 T CA -0.165 61.860 62.100 -0.125 0.000 0.975 982 T CB 1.346 70.236 68.868 0.037 0.000 0.981 982 T HN 0.568 nan 8.240 nan 0.000 0.439 983 W N 3.270 124.475 121.300 -0.158 0.000 2.322 983 W HA 0.609 5.284 4.660 0.024 0.000 0.307 983 W C -0.290 176.092 176.519 -0.230 0.000 1.220 983 W CA -0.688 56.560 57.345 -0.162 0.000 1.210 983 W CB 0.799 30.176 29.460 -0.139 0.000 1.223 983 W HN 0.371 nan 8.180 nan 0.000 0.511 984 L N 5.571 126.782 121.223 -0.019 0.000 2.356 984 L HA 0.513 4.868 4.340 0.024 0.000 0.277 984 L C -1.061 175.699 176.870 -0.184 0.000 0.996 984 L CA -0.580 54.123 54.840 -0.229 0.000 0.822 984 L CB 1.078 42.847 42.059 -0.483 0.000 1.256 984 L HN 0.315 nan 8.230 nan 0.000 0.413 985 N N 6.254 124.835 118.700 -0.198 0.000 2.443 985 N HA 0.437 5.191 4.740 0.024 0.000 0.269 985 N C -1.252 174.103 175.510 -0.258 0.000 0.985 985 N CA -0.198 52.736 53.050 -0.194 0.000 0.921 985 N CB 2.542 40.944 38.487 -0.142 0.000 1.195 985 N HN 0.677 nan 8.380 nan 0.000 0.492 986 I N 1.707 122.079 120.570 -0.330 0.000 2.382 986 I HA 0.278 4.463 4.170 0.024 0.000 0.286 986 I C -1.091 174.831 176.117 -0.325 0.000 1.002 986 I CA -0.593 60.476 61.300 -0.385 0.000 1.135 986 I CB 0.869 38.447 38.000 -0.703 0.000 1.288 986 I HN 0.224 nan 8.210 nan 0.000 0.448 987 D N 5.244 125.492 120.400 -0.254 0.000 2.192 987 D HA 0.301 4.955 4.640 0.024 0.000 0.246 987 D C 0.809 176.816 176.300 -0.488 0.000 1.042 987 D CA -0.238 53.552 54.000 -0.349 0.000 0.847 987 D CB 2.287 42.983 40.800 -0.174 0.000 1.186 987 D HN 0.739 nan 8.370 nan 0.000 0.461 988 G N 1.181 109.368 108.800 -1.021 0.000 2.403 988 G HA2 -0.019 3.956 3.960 0.024 0.000 0.216 988 G HA3 -0.019 3.956 3.960 0.024 0.000 0.216 988 G C 0.100 174.294 174.900 -1.177 0.000 1.154 988 G CA 0.591 44.979 45.100 -1.186 0.000 0.784 988 G HN 0.388 nan 8.290 nan 0.000 0.538 989 F N -2.299 117.460 119.950 -0.318 0.000 2.619 989 F HA 0.600 5.141 4.527 0.024 0.000 0.308 989 F C -0.571 175.138 175.800 -0.153 0.000 1.097 989 F CA -1.139 56.755 58.000 -0.178 0.000 0.953 989 F CB 2.146 40.964 39.000 -0.303 0.000 1.287 989 F HN 0.042 nan 8.300 nan 0.000 0.446 990 H N 1.606 120.680 119.070 0.005 0.000 2.894 990 H HA 0.531 5.101 4.556 0.024 0.000 0.367 990 H C -0.937 174.412 175.328 0.035 0.000 1.144 990 H CA -0.867 55.160 56.048 -0.035 0.000 1.180 990 H CB 1.903 31.631 29.762 -0.056 0.000 1.758 990 H HN 0.770 nan 8.280 nan 0.000 0.541 991 M N 3.191 122.739 119.600 -0.087 0.000 2.240 991 M HA 0.293 4.787 4.480 0.024 0.000 0.333 991 M C 0.486 176.901 176.300 0.191 0.000 1.110 991 M CA 0.282 55.604 55.300 0.037 0.000 1.173 991 M CB 0.368 32.896 32.600 -0.120 0.000 1.458 991 M HN 0.842 nan 8.290 nan 0.000 0.458 992 G N 2.902 111.784 108.800 0.136 0.000 2.664 992 G HA2 0.260 4.235 3.960 0.024 0.000 0.242 992 G HA3 0.260 4.235 3.960 0.024 0.000 0.242 992 G C 0.640 175.517 174.900 -0.039 0.000 1.225 992 G CA -0.412 44.690 45.100 0.003 0.000 0.849 992 G HN 0.976 nan 8.290 nan 0.000 0.581 993 I N -1.185 119.316 120.570 -0.115 0.000 3.427 993 I HA 0.383 4.567 4.170 0.024 0.000 0.288 993 I C 1.231 177.282 176.117 -0.110 0.000 1.249 993 I CA 0.492 61.694 61.300 -0.164 0.000 1.421 993 I CB -0.627 37.182 38.000 -0.318 0.000 1.086 993 I HN 0.922 nan 8.210 nan 0.000 0.448 994 G N 1.570 110.326 108.800 -0.073 0.000 2.645 994 G HA2 0.007 3.982 3.960 0.024 0.000 0.246 994 G HA3 0.007 3.982 3.960 0.024 0.000 0.246 994 G C 0.590 175.493 174.900 0.005 0.000 1.322 994 G CA 0.175 45.272 45.100 -0.006 0.000 0.898 994 G HN 1.373 nan 8.290 nan 0.000 0.573 995 G N -2.465 106.350 108.800 0.025 0.000 2.425 995 G HA2 -0.021 3.953 3.960 0.024 0.000 0.177 995 G HA3 -0.021 3.953 3.960 0.024 0.000 0.177 995 G C 0.720 175.676 174.900 0.094 0.000 0.999 995 G CA 0.870 45.997 45.100 0.045 0.000 0.723 995 G HN 1.034 nan 8.290 nan 0.000 0.491 996 D N 1.353 121.830 120.400 0.129 0.000 2.170 996 D HA 0.048 4.702 4.640 0.024 0.000 0.193 996 D C 1.067 177.399 176.300 0.053 0.000 1.004 996 D CA 2.195 56.328 54.000 0.222 0.000 0.860 996 D CB 0.069 40.998 40.800 0.216 0.000 0.931 996 D HN 0.829 nan 8.370 nan 0.000 0.448 997 D N -3.568 116.667 120.400 -0.276 0.000 2.626 997 D HA 0.393 5.047 4.640 0.024 0.000 0.278 997 D C -0.755 175.082 176.300 -0.773 0.000 1.211 997 D CA -0.737 52.692 54.000 -0.951 0.000 0.903 997 D CB 1.072 40.730 40.800 -1.903 0.000 1.408 997 D HN -0.290 nan 8.370 nan 0.000 0.454 998 S N -0.653 114.465 115.700 -0.969 0.000 2.651 998 S HA 0.216 4.700 4.470 0.024 0.000 0.246 998 S C -0.561 174.063 174.600 0.040 0.000 1.039 998 S CA -0.702 57.379 58.200 -0.199 0.000 1.013 998 S CB -0.460 62.868 63.200 0.213 0.000 0.861 998 S HN 0.626 nan 8.310 nan 0.000 0.485 999 W N 1.352 122.599 121.300 -0.088 0.000 2.499 999 W HA 0.590 5.263 4.660 0.023 0.000 0.362 999 W C 0.051 176.526 176.519 -0.074 0.000 0.945 999 W CA -0.510 56.778 57.345 -0.095 0.000 1.721 999 W CB -0.547 28.767 29.460 -0.245 0.000 1.156 999 W HN 0.170 nan 8.180 nan 0.000 0.547 1000 S N -1.416 114.172 115.700 -0.186 0.000 2.615 1000 S HA 0.629 5.114 4.470 0.024 0.000 0.269 1000 S C -3.186 171.356 174.600 -0.096 0.000 1.161 1000 S CA -1.608 56.525 58.200 -0.110 0.000 0.817 1000 S CB 1.469 64.612 63.200 -0.094 0.000 1.131 1000 S HN -0.229 nan 8.310 nan 0.000 0.467 1001 P HA 0.244 nan 4.420 nan 0.000 0.266 1001 P C 0.301 177.643 177.300 0.069 0.000 1.215 1001 P CA -0.020 63.092 63.100 0.020 0.000 0.763 1001 P CB 0.772 32.383 31.700 -0.149 0.000 0.806 1002 S N 0.962 116.741 115.700 0.131 0.000 2.780 1002 S HA 0.142 4.627 4.470 0.024 0.000 0.248 1002 S C 0.211 174.889 174.600 0.130 0.000 1.036 1002 S CA -0.274 57.973 58.200 0.078 0.000 1.061 1002 S CB -0.202 62.990 63.200 -0.014 0.000 1.037 1002 S HN 0.104 nan 8.310 nan 0.000 0.584 1003 V N 2.837 122.869 119.914 0.197 0.000 2.455 1003 V HA 0.402 4.537 4.120 0.024 0.000 0.273 1003 V C 0.781 177.014 176.094 0.232 0.000 1.045 1003 V CA -0.344 62.055 62.300 0.164 0.000 0.976 1003 V CB 1.042 32.892 31.823 0.045 0.000 0.993 1003 V HN 0.506 nan 8.190 nan 0.000 0.475 1004 S N 3.970 119.822 115.700 0.253 0.000 2.568 1004 S HA 0.253 4.737 4.470 0.024 0.000 0.282 1004 S C 1.569 176.304 174.600 0.224 0.000 1.338 1004 S CA 0.094 58.439 58.200 0.242 0.000 1.045 1004 S CB 1.054 64.424 63.200 0.283 0.000 0.873 1004 S HN 1.006 nan 8.310 nan 0.000 0.516 1005 A N 3.754 126.666 122.820 0.153 0.000 1.958 1005 A HA -0.176 4.158 4.320 0.024 0.000 0.221 1005 A C 2.042 179.661 177.584 0.058 0.000 1.178 1005 A CA 1.969 54.084 52.037 0.129 0.000 0.642 1005 A CB -0.702 18.352 19.000 0.089 0.000 0.816 1005 A HN 0.968 nan 8.150 nan 0.000 0.453 1006 E N -0.866 119.307 120.200 -0.046 0.000 2.338 1006 E HA -0.136 4.229 4.350 0.024 0.000 0.197 1006 E C 0.914 177.293 176.600 -0.367 0.000 1.007 1006 E CA 0.856 57.111 56.400 -0.241 0.000 0.849 1006 E CB -0.463 29.009 29.700 -0.379 0.000 0.774 1006 E HN 0.695 nan 8.360 nan 0.000 0.506 1007 F N 1.203 121.200 119.950 0.078 0.000 2.653 1007 F HA 0.255 4.796 4.527 0.024 0.000 0.304 1007 F C 0.896 176.728 175.800 0.053 0.000 1.092 1007 F CA -0.501 57.545 58.000 0.077 0.000 1.279 1007 F CB 0.542 39.588 39.000 0.077 0.000 1.044 1007 F HN -0.189 nan 8.300 nan 0.000 0.564 1008 Q N 1.241 121.148 119.800 0.178 0.000 2.230 1008 Q HA 0.394 4.748 4.340 0.024 0.000 0.248 1008 Q C -0.226 175.809 176.000 0.058 0.000 0.915 1008 Q CA -0.546 55.333 55.803 0.126 0.000 0.900 1008 Q CB 1.926 30.811 28.738 0.245 0.000 1.229 1008 Q HN 0.250 nan 8.270 nan 0.000 0.439 1009 L N 2.431 123.672 121.223 0.031 0.000 2.399 1009 L HA 0.112 4.466 4.340 0.024 0.000 0.257 1009 L C 0.618 177.462 176.870 -0.043 0.000 1.236 1009 L CA -0.059 54.791 54.840 0.017 0.000 1.144 1009 L CB -0.347 41.608 42.059 -0.174 0.000 1.379 1009 L HN 0.693 nan 8.230 nan 0.000 0.414 1010 S N -1.010 114.573 115.700 -0.194 0.000 2.593 1010 S HA 0.159 4.644 4.470 0.024 0.000 0.236 1010 S C 1.594 176.099 174.600 -0.159 0.000 0.991 1010 S CA 0.155 58.061 58.200 -0.490 0.000 0.963 1010 S CB 0.766 63.533 63.200 -0.721 0.000 0.865 1010 S HN 0.521 nan 8.310 nan 0.000 0.488 1011 A N 1.449 124.207 122.820 -0.103 0.000 2.121 1011 A HA 0.446 4.780 4.320 0.024 0.000 0.218 1011 A C 2.108 179.522 177.584 -0.283 0.000 1.154 1011 A CA 1.201 53.049 52.037 -0.314 0.000 0.679 1011 A CB -1.262 17.362 19.000 -0.627 0.000 0.795 1011 A HN 1.481 nan 8.150 nan 0.000 0.458 1012 G N -1.298 107.433 108.800 -0.115 0.000 2.498 1012 G HA2 -0.300 3.674 3.960 0.024 0.000 0.229 1012 G HA3 -0.300 3.674 3.960 0.024 0.000 0.229 1012 G C 0.453 175.328 174.900 -0.042 0.000 1.156 1012 G CA 0.455 45.543 45.100 -0.019 0.000 0.680 1012 G HN 0.695 nan 8.290 nan 0.000 0.512 1013 R N -0.550 119.806 120.500 -0.241 0.000 2.575 1013 R HA 0.675 5.029 4.340 0.024 0.000 0.293 1013 R C -1.584 174.454 176.300 -0.436 0.000 0.983 1013 R CA -0.587 55.417 56.100 -0.161 0.000 0.887 1013 R CB 1.589 31.837 30.300 -0.086 0.000 1.184 1013 R HN 0.254 nan 8.270 nan 0.000 0.445 1014 Y N 0.313 120.594 120.300 -0.033 0.000 2.512 1014 Y HA 0.361 4.925 4.550 0.024 0.000 0.348 1014 Y C -0.404 175.633 175.900 0.229 0.000 0.990 1014 Y CA -0.839 57.208 58.100 -0.090 0.000 1.033 1014 Y CB 2.269 40.533 38.460 -0.326 0.000 1.259 1014 Y HN 0.588 nan 8.280 nan 0.000 0.461 1015 H N 2.430 121.764 119.070 0.439 0.000 2.717 1015 H HA 0.619 5.190 4.556 0.024 0.000 0.366 1015 H C -1.784 173.920 175.328 0.628 0.000 1.132 1015 H CA -0.955 55.334 56.048 0.401 0.000 1.180 1015 H CB 1.330 31.236 29.762 0.240 0.000 1.678 1015 H HN 0.566 nan 8.280 nan 0.000 0.537 1016 Y N 1.574 121.711 120.300 -0.270 0.000 2.609 1016 Y HA 0.463 5.028 4.550 0.024 0.000 0.336 1016 Y C -1.986 173.718 175.900 -0.328 0.000 1.129 1016 Y CA -1.093 56.912 58.100 -0.159 0.000 1.040 1016 Y CB 1.356 39.816 38.460 -0.002 0.000 1.310 1016 Y HN 0.781 nan 8.280 nan 0.000 0.460 1017 Q N 3.011 122.782 119.800 -0.048 0.000 2.379 1017 Q HA 0.829 5.183 4.340 0.024 0.000 0.278 1017 Q C -2.191 173.887 176.000 0.130 0.000 1.068 1017 Q CA -1.100 54.666 55.803 -0.061 0.000 0.816 1017 Q CB 3.390 32.123 28.738 -0.009 0.000 1.387 1017 Q HN 0.867 nan 8.270 nan 0.000 0.413 1018 L N 0.998 122.290 121.223 0.116 0.000 2.415 1018 L HA 0.714 5.068 4.340 0.024 0.000 0.256 1018 L C -1.138 175.855 176.870 0.204 0.000 1.010 1018 L CA -1.306 53.653 54.840 0.198 0.000 0.826 1018 L CB 2.764 44.925 42.059 0.171 0.000 1.405 1018 L HN 0.505 nan 8.230 nan 0.000 0.410 1019 V N 0.829 120.890 119.914 0.245 0.000 2.487 1019 V HA 0.410 4.544 4.120 0.024 0.000 0.298 1019 V C -1.272 175.001 176.094 0.298 0.000 1.028 1019 V CA -0.418 62.028 62.300 0.244 0.000 0.860 1019 V CB 2.204 34.141 31.823 0.191 0.000 0.991 1019 V HN 0.585 nan 8.190 nan 0.000 0.427 1020 W N 6.991 128.352 121.300 0.101 0.000 2.417 1020 W HA 0.715 5.390 4.660 0.024 0.000 0.315 1020 W C -0.274 176.244 176.519 -0.002 0.000 1.045 1020 W CA -1.150 56.167 57.345 -0.047 0.000 1.221 1020 W CB 1.402 30.900 29.460 0.064 0.000 1.309 1020 W HN 0.860 nan 8.180 nan 0.000 0.453 1021 C N 4.216 123.756 119.300 0.400 0.000 3.285 1021 C HA 0.764 5.238 4.460 0.024 0.000 0.320 1021 C C -0.495 174.608 174.990 0.189 0.000 1.411 1021 C CA -0.868 58.306 59.018 0.260 0.000 1.429 1021 C CB 1.432 29.270 27.740 0.164 0.000 1.812 1021 C HN 0.725 nan 8.230 nan 0.000 0.454 1022 Q N 1.838 121.702 119.800 0.107 0.000 2.241 1022 Q HA 0.628 4.982 4.340 0.024 0.000 0.254 1022 Q C -0.597 175.398 176.000 -0.008 0.000 0.917 1022 Q CA -0.198 55.615 55.803 0.016 0.000 0.919 1022 Q CB 1.201 29.913 28.738 -0.043 0.000 1.237 1022 Q HN 0.775 nan 8.270 nan 0.000 0.434 1023 K N 0.000 120.369 120.400 -0.051 0.000 2.780 1023 K HA 0.000 4.334 4.320 0.024 0.000 0.191 1023 K CA 0.000 56.261 56.287 -0.044 0.000 0.838 1023 K CB 0.000 32.475 32.500 -0.042 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543