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 3iaq_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 ANIVTHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.109 176.300 -0.318 0.000 0.893 13 R CA 0.000 55.972 56.100 -0.213 0.000 0.921 13 R CB 0.000 30.171 30.300 -0.214 0.000 0.687 14 R N 1.238 121.449 120.500 -0.480 0.000 2.724 14 R HA 0.233 4.587 4.340 0.024 0.000 0.284 14 R C -0.087 175.671 176.300 -0.904 0.000 1.481 14 R CA -0.380 55.103 56.100 -1.027 0.000 1.652 14 R CB 0.628 30.372 30.300 -0.926 0.000 1.175 14 R HN 0.506 nan 8.270 nan 0.000 0.613 15 D N 0.970 121.016 120.400 -0.590 0.000 2.263 15 D HA -0.189 4.465 4.640 0.024 0.000 0.208 15 D C 1.319 177.509 176.300 -0.183 0.000 0.971 15 D CA 1.177 54.925 54.000 -0.420 0.000 0.867 15 D CB 0.173 40.557 40.800 -0.693 0.000 0.929 15 D HN 0.626 nan 8.370 nan 0.000 0.492 16 W N 1.694 123.012 121.300 0.030 0.000 3.077 16 W HA 0.126 4.800 4.660 0.024 0.000 0.245 16 W C 0.491 177.101 176.519 0.153 0.000 1.316 16 W CA -0.140 57.328 57.345 0.205 0.000 1.537 16 W CB -0.276 29.350 29.460 0.276 0.000 1.131 16 W HN -0.198 nan 8.180 nan 0.000 0.695 17 E N 1.292 121.358 120.200 -0.223 0.000 3.388 17 E HA 0.086 4.451 4.350 0.024 0.000 0.214 17 E C -0.827 175.616 176.600 -0.262 0.000 1.040 17 E CA -0.253 56.044 56.400 -0.170 0.000 1.327 17 E CB -0.265 29.315 29.700 -0.200 0.000 1.243 17 E HN 0.035 nan 8.360 nan 0.000 0.444 18 N N 1.079 119.658 118.700 -0.202 0.000 2.655 18 N HA 0.101 4.855 4.740 0.024 0.000 0.277 18 N C -2.414 172.930 175.510 -0.277 0.000 1.177 18 N CA -1.665 51.223 53.050 -0.269 0.000 0.882 18 N CB 1.509 39.847 38.487 -0.249 0.000 1.481 18 N HN -0.145 nan 8.380 nan 0.000 0.547 19 P HA 0.081 nan 4.420 nan 0.000 0.233 19 P C 1.114 178.158 177.300 -0.427 0.000 1.167 19 P CA 0.562 63.277 63.100 -0.642 0.000 0.770 19 P CB 0.244 31.056 31.700 -1.480 0.000 0.837 20 G N 0.242 108.840 108.800 -0.336 0.000 2.403 20 G HA2 -0.043 3.931 3.960 0.024 0.000 0.216 20 G HA3 -0.043 3.931 3.960 0.024 0.000 0.216 20 G C 0.514 175.325 174.900 -0.149 0.000 1.154 20 G CA 0.266 45.228 45.100 -0.228 0.000 0.784 20 G HN 0.213 nan 8.290 nan 0.000 0.538 21 V N 2.012 121.849 119.914 -0.129 0.000 2.277 21 V HA 0.295 4.429 4.120 0.024 0.000 0.269 21 V C 1.032 177.154 176.094 0.048 0.000 1.036 21 V CA 0.363 62.631 62.300 -0.054 0.000 0.821 21 V CB 0.843 32.607 31.823 -0.098 0.000 1.052 21 V HN 0.391 nan 8.190 nan 0.000 0.462 22 T N 0.714 115.305 114.554 0.062 0.000 3.040 22 T HA 0.318 4.682 4.350 0.024 0.000 0.250 22 T C 0.324 175.096 174.700 0.121 0.000 1.058 22 T CA 0.074 62.235 62.100 0.102 0.000 0.988 22 T CB 0.254 69.131 68.868 0.015 0.000 0.993 22 T HN 0.672 nan 8.240 nan 0.000 0.519 23 Q N 0.189 120.090 119.800 0.167 0.000 2.578 23 Q HA 0.699 5.054 4.340 0.024 0.000 0.284 23 Q C -2.191 173.941 176.000 0.220 0.000 0.960 23 Q CA -1.034 54.870 55.803 0.167 0.000 0.809 23 Q CB 1.038 29.781 28.738 0.008 0.000 1.462 23 Q HN 0.227 nan 8.270 nan 0.000 0.392 24 L N 1.875 123.263 121.223 0.276 0.000 2.470 24 L HA 0.586 4.940 4.340 0.024 0.000 0.268 24 L C -0.539 176.481 176.870 0.250 0.000 0.964 24 L CA -0.822 54.184 54.840 0.277 0.000 0.839 24 L CB 1.965 44.288 42.059 0.439 0.000 1.276 24 L HN 0.855 nan 8.230 nan 0.000 0.403 25 N N 1.015 119.815 118.700 0.166 0.000 2.713 25 N HA -0.219 4.536 4.740 0.024 0.000 0.251 25 N C 0.178 175.730 175.510 0.070 0.000 1.117 25 N CA 0.881 54.011 53.050 0.132 0.000 0.770 25 N CB -0.733 37.809 38.487 0.091 0.000 1.137 25 N HN 0.636 nan 8.380 nan 0.000 0.566 26 R N 0.830 121.262 120.500 -0.114 0.000 2.441 26 R HA 0.414 4.768 4.340 0.024 0.000 0.284 26 R C 0.396 176.511 176.300 -0.309 0.000 1.070 26 R CA -0.370 55.389 56.100 -0.567 0.000 1.047 26 R CB 0.585 30.544 30.300 -0.569 0.000 1.016 26 R HN 0.102 nan 8.270 nan 0.000 0.477 27 L N 2.918 123.943 121.223 -0.329 0.000 2.439 27 L HA 0.354 4.708 4.340 0.024 0.000 0.261 27 L C 0.557 177.365 176.870 -0.104 0.000 1.153 27 L CA -0.706 54.052 54.840 -0.136 0.000 0.808 27 L CB 1.113 43.134 42.059 -0.064 0.000 1.126 27 L HN 0.762 nan 8.230 nan 0.000 0.460 28 A N 1.615 124.420 122.820 -0.025 0.000 2.531 28 A HA 0.446 4.780 4.320 0.024 0.000 0.236 28 A C 0.344 177.918 177.584 -0.016 0.000 1.062 28 A CA -0.008 52.024 52.037 -0.009 0.000 0.760 28 A CB 0.086 19.109 19.000 0.039 0.000 0.995 28 A HN 0.790 nan 8.150 nan 0.000 0.501 29 A N 2.094 124.856 122.820 -0.097 0.000 2.351 29 A HA 0.660 4.995 4.320 0.024 0.000 0.257 29 A C 0.090 177.573 177.584 -0.170 0.000 1.087 29 A CA 0.373 52.272 52.037 -0.231 0.000 0.798 29 A CB -0.080 18.800 19.000 -0.200 0.000 1.033 29 A HN 1.789 nan 8.150 nan 0.000 0.488 30 H N -1.575 117.353 119.070 -0.236 0.000 3.003 30 H HA 0.669 5.239 4.556 0.024 0.000 0.327 30 H C -3.422 171.630 175.328 -0.459 0.000 1.353 30 H CA -2.061 53.779 56.048 -0.346 0.000 1.142 30 H CB 0.124 29.578 29.762 -0.513 0.000 1.864 30 H HN 0.361 nan 8.280 nan 0.000 0.529 31 P HA 0.196 nan 4.420 nan 0.000 0.272 31 P C -2.577 174.558 177.300 -0.274 0.000 1.240 31 P CA -1.356 61.557 63.100 -0.311 0.000 0.791 31 P CB -0.223 31.194 31.700 -0.471 0.000 0.978 32 P HA 0.025 nan 4.420 nan 0.000 0.261 32 P C -0.834 176.631 177.300 0.275 0.000 1.183 32 P CA 0.994 64.125 63.100 0.052 0.000 0.761 32 P CB -0.138 31.641 31.700 0.131 0.000 0.785 33 F N 1.931 121.973 119.950 0.153 0.000 2.483 33 F HA 0.615 5.157 4.527 0.024 0.000 0.329 33 F C 1.075 176.814 175.800 -0.101 0.000 1.064 33 F CA -1.435 56.598 58.000 0.055 0.000 0.986 33 F CB 1.142 40.124 39.000 -0.031 0.000 1.218 33 F HN 0.305 nan 8.300 nan 0.000 0.484 34 A N 0.168 122.928 122.820 -0.100 0.000 2.606 34 A HA 0.313 4.647 4.320 0.024 0.000 0.230 34 A C 0.653 177.927 177.584 -0.517 0.000 1.279 34 A CA 0.606 52.329 52.037 -0.523 0.000 1.010 34 A CB -0.384 17.808 19.000 -1.347 0.000 1.271 34 A HN 0.905 nan 8.150 nan 0.000 0.584 35 S N 0.483 116.003 115.700 -0.301 0.000 3.524 35 S HA -0.151 4.333 4.470 0.024 0.000 0.377 35 S C -0.086 174.430 174.600 -0.140 0.000 0.949 35 S CA 0.401 58.484 58.200 -0.196 0.000 1.264 35 S CB -1.653 61.440 63.200 -0.178 0.000 0.918 35 S HN 0.448 nan 8.310 nan 0.000 0.517 36 W N 2.347 123.625 121.300 -0.036 0.000 2.181 36 W HA 0.257 4.931 4.660 0.023 0.000 0.335 36 W C 1.338 177.831 176.519 -0.044 0.000 1.310 36 W CA -0.629 56.697 57.345 -0.031 0.000 1.226 36 W CB 0.308 29.750 29.460 -0.030 0.000 1.155 36 W HN 0.391 nan 8.180 nan 0.000 0.565 37 R N 2.158 122.776 120.500 0.197 0.000 2.507 37 R HA 0.086 4.441 4.340 0.024 0.000 0.298 37 R C -0.049 176.299 176.300 0.082 0.000 0.999 37 R CA -0.126 56.032 56.100 0.097 0.000 1.082 37 R CB -0.241 30.084 30.300 0.042 0.000 1.246 37 R HN 0.339 nan 8.270 nan 0.000 0.553 38 N N -0.042 118.721 118.700 0.105 0.000 2.478 38 N HA 0.114 4.869 4.740 0.024 0.000 0.291 38 N C -0.108 175.359 175.510 -0.070 0.000 1.090 38 N CA -0.033 53.026 53.050 0.015 0.000 0.911 38 N CB 1.868 40.365 38.487 0.016 0.000 1.546 38 N HN -0.257 nan 8.380 nan 0.000 0.500 39 S N 2.311 117.949 115.700 -0.102 0.000 2.383 39 S HA -0.147 4.338 4.470 0.024 0.000 0.227 39 S C 1.386 175.807 174.600 -0.299 0.000 1.026 39 S CA 1.099 59.197 58.200 -0.171 0.000 0.981 39 S CB 0.030 63.158 63.200 -0.120 0.000 0.818 39 S HN 0.748 nan 8.310 nan 0.000 0.472 40 E N 1.548 121.586 120.200 -0.270 0.000 2.150 40 E HA -0.110 4.254 4.350 0.024 0.000 0.193 40 E C 1.857 178.226 176.600 -0.384 0.000 0.985 40 E CA 0.980 57.182 56.400 -0.330 0.000 0.814 40 E CB -0.097 29.463 29.700 -0.233 0.000 0.752 40 E HN 0.302 nan 8.360 nan 0.000 0.466 41 E N -0.039 119.937 120.200 -0.373 0.000 2.204 41 E HA -0.125 4.239 4.350 0.024 0.000 0.194 41 E C 1.887 177.837 176.600 -1.082 0.000 0.989 41 E CA 0.956 57.080 56.400 -0.461 0.000 0.824 41 E CB -0.192 29.389 29.700 -0.199 0.000 0.756 41 E HN 0.389 nan 8.360 nan 0.000 0.477 42 A N 1.481 123.528 122.820 -1.288 0.000 1.872 42 A HA -0.142 4.192 4.320 0.024 0.000 0.214 42 A C 2.221 179.238 177.584 -0.944 0.000 1.187 42 A CA 1.345 52.377 52.037 -1.676 0.000 0.614 42 A CB -0.417 18.085 19.000 -0.831 0.000 0.826 42 A HN 0.094 nan 8.150 nan 0.000 0.442 43 R N -0.099 120.012 120.500 -0.648 0.000 2.096 43 R HA -0.125 4.230 4.340 0.024 0.000 0.235 43 R C 1.899 177.951 176.300 -0.414 0.000 1.127 43 R CA 2.017 57.797 56.100 -0.534 0.000 0.968 43 R CB -0.424 29.430 30.300 -0.742 0.000 0.861 43 R HN 0.622 nan 8.270 nan 0.000 0.440 44 T N -2.434 111.879 114.554 -0.402 0.000 3.129 44 T HA 0.018 4.382 4.350 0.024 0.000 0.251 44 T C 0.388 174.983 174.700 -0.176 0.000 1.117 44 T CA 0.549 62.497 62.100 -0.252 0.000 1.034 44 T CB 0.017 68.760 68.868 -0.208 0.000 0.968 44 T HN 0.359 nan 8.240 nan 0.000 0.526 45 D N 0.791 121.040 120.400 -0.252 0.000 2.911 45 D HA -0.181 4.473 4.640 0.024 0.000 0.227 45 D C 0.141 176.535 176.300 0.156 0.000 1.164 45 D CA 0.522 54.502 54.000 -0.033 0.000 0.782 45 D CB -1.125 39.709 40.800 0.057 0.000 1.094 45 D HN 0.579 nan 8.370 nan 0.000 0.425 46 R N -0.096 120.458 120.500 0.091 0.000 2.637 46 R HA 0.419 4.774 4.340 0.024 0.000 0.269 46 R C -2.078 174.460 176.300 0.396 0.000 1.089 46 R CA -1.283 54.926 56.100 0.181 0.000 1.177 46 R CB 0.132 30.481 30.300 0.083 0.000 1.091 46 R HN 0.078 nan 8.270 nan 0.000 0.540 47 P HA -0.077 nan 4.420 nan 0.000 0.265 47 P C -0.807 176.669 177.300 0.294 0.000 1.187 47 P CA 0.449 63.692 63.100 0.238 0.000 0.766 47 P CB 0.636 32.425 31.700 0.148 0.000 0.820 48 S N 1.901 117.654 115.700 0.088 0.000 2.437 48 S HA 0.108 4.592 4.470 0.024 0.000 0.305 48 S C 1.048 175.650 174.600 0.003 0.000 1.109 48 S CA -0.558 57.594 58.200 -0.080 0.000 1.099 48 S CB 0.358 63.131 63.200 -0.711 0.000 1.004 48 S HN 0.250 nan 8.310 nan 0.000 0.475 49 Q N 2.934 122.776 119.800 0.070 0.000 2.364 49 Q HA -0.104 4.250 4.340 0.024 0.000 0.209 49 Q C 0.994 177.104 176.000 0.185 0.000 0.977 49 Q CA 1.355 57.233 55.803 0.124 0.000 0.885 49 Q CB -0.075 28.738 28.738 0.124 0.000 0.941 49 Q HN 0.731 nan 8.270 nan 0.000 0.464 50 Q N -0.379 119.445 119.800 0.040 0.000 2.425 50 Q HA 0.086 4.441 4.340 0.024 0.000 0.204 50 Q C -0.035 176.016 176.000 0.085 0.000 0.933 50 Q CA 0.156 55.930 55.803 -0.049 0.000 0.939 50 Q CB 0.383 28.989 28.738 -0.219 0.000 1.044 50 Q HN 0.048 nan 8.270 nan 0.000 0.513 51 L N 1.050 122.322 121.223 0.082 0.000 2.335 51 L HA 0.375 4.730 4.340 0.024 0.000 0.268 51 L C -1.006 175.947 176.870 0.138 0.000 1.037 51 L CA -0.295 54.602 54.840 0.094 0.000 0.895 51 L CB 0.641 42.674 42.059 -0.043 0.000 1.266 51 L HN -0.138 nan 8.230 nan 0.000 0.439 52 R N 2.178 122.804 120.500 0.211 0.000 2.349 52 R HA 0.444 4.798 4.340 0.024 0.000 0.299 52 R C -0.083 176.240 176.300 0.037 0.000 1.027 52 R CA -0.342 55.819 56.100 0.103 0.000 0.958 52 R CB 1.512 31.829 30.300 0.028 0.000 1.047 52 R HN 0.667 nan 8.270 nan 0.000 0.468 53 S N 2.571 118.282 115.700 0.019 0.000 2.565 53 S HA 0.211 4.695 4.470 0.024 0.000 0.274 53 S C 0.717 175.306 174.600 -0.018 0.000 1.309 53 S CA -0.564 57.636 58.200 -0.000 0.000 1.043 53 S CB 0.516 63.727 63.200 0.018 0.000 0.939 53 S HN 0.570 nan 8.310 nan 0.000 0.504 54 L N 3.380 124.591 121.223 -0.021 0.000 2.857 54 L HA 0.300 4.654 4.340 0.024 0.000 0.249 54 L C 0.169 177.179 176.870 0.233 0.000 1.172 54 L CA -0.419 54.430 54.840 0.014 0.000 0.980 54 L CB -0.225 41.769 42.059 -0.109 0.000 1.299 54 L HN 0.515 nan 8.230 nan 0.000 0.535 55 N N 1.513 120.289 118.700 0.127 0.000 2.479 55 N HA 0.417 5.172 4.740 0.024 0.000 0.257 55 N C 0.689 176.304 175.510 0.176 0.000 1.232 55 N CA 1.091 54.213 53.050 0.120 0.000 0.920 55 N CB 1.340 39.841 38.487 0.024 0.000 1.105 55 N HN 0.324 nan 8.380 nan 0.000 0.444 56 G N 0.866 109.785 108.800 0.199 0.000 2.240 56 G HA2 -0.093 3.881 3.960 0.024 0.000 0.199 56 G HA3 -0.093 3.881 3.960 0.024 0.000 0.199 56 G C -1.534 173.552 174.900 0.309 0.000 1.342 56 G CA -0.764 44.457 45.100 0.202 0.000 1.145 56 G HN 0.467 nan 8.290 nan 0.000 0.477 57 E N 0.408 120.781 120.200 0.288 0.000 2.089 57 E HA 0.441 4.805 4.350 0.024 0.000 0.284 57 E C -0.870 175.982 176.600 0.420 0.000 1.023 57 E CA -0.296 56.285 56.400 0.301 0.000 0.819 57 E CB 0.982 30.787 29.700 0.175 0.000 1.076 57 E HN 0.340 nan 8.360 nan 0.000 0.396 58 W N 1.835 123.223 121.300 0.146 0.000 2.630 58 W HA 0.400 5.074 4.660 0.024 0.000 0.365 58 W C 0.392 177.037 176.519 0.210 0.000 1.270 58 W CA -0.720 56.742 57.345 0.195 0.000 1.291 58 W CB 0.660 30.288 29.460 0.279 0.000 1.440 58 W HN 0.178 nan 8.180 nan 0.000 0.652 59 R N 1.340 122.123 120.500 0.472 0.000 2.460 59 R HA 0.556 4.911 4.340 0.024 0.000 0.303 59 R C -1.581 174.963 176.300 0.407 0.000 0.968 59 R CA -0.908 55.403 56.100 0.352 0.000 0.889 59 R CB 1.502 31.948 30.300 0.244 0.000 1.123 59 R HN 0.437 nan 8.270 nan 0.000 0.455 60 F N 0.664 120.653 119.950 0.065 0.000 2.578 60 F HA 0.653 5.195 4.527 0.024 0.000 0.311 60 F C -1.446 174.188 175.800 -0.276 0.000 1.094 60 F CA -0.622 57.264 58.000 -0.190 0.000 0.923 60 F CB 2.046 40.839 39.000 -0.346 0.000 1.230 60 F HN 0.625 nan 8.300 nan 0.000 0.450 61 A N 4.598 126.625 122.820 -1.321 0.000 2.422 61 A HA 0.537 4.871 4.320 0.024 0.000 0.302 61 A C -2.333 174.234 177.584 -1.695 0.000 1.041 61 A CA -0.514 50.811 52.037 -1.187 0.000 0.708 61 A CB 0.633 19.238 19.000 -0.658 0.000 1.257 61 A HN 0.922 nan 8.150 nan 0.000 0.414 62 W N 2.747 123.144 121.300 -1.506 0.000 2.365 62 W HA 0.722 5.396 4.660 0.024 0.000 0.316 62 W C -1.736 174.128 176.519 -1.091 0.000 1.164 62 W CA -0.184 56.457 57.345 -1.173 0.000 1.204 62 W CB 0.860 29.948 29.460 -0.621 0.000 1.213 62 W HN 0.468 nan 8.180 nan 0.000 0.539 63 F N 6.906 126.112 119.950 -1.240 0.000 2.565 63 F HA 0.326 4.867 4.527 0.024 0.000 0.313 63 F C -1.213 173.744 175.800 -1.405 0.000 1.091 63 F CA -2.323 55.071 58.000 -1.011 0.000 0.915 63 F CB 1.950 40.525 39.000 -0.708 0.000 1.208 63 F HN 0.229 nan 8.300 nan 0.000 0.453 64 P HA 0.051 nan 4.420 nan 0.000 0.226 64 P C -0.265 176.874 177.300 -0.267 0.000 1.153 64 P CA 0.921 63.698 63.100 -0.539 0.000 0.777 64 P CB 0.617 32.263 31.700 -0.090 0.000 0.794 65 A N -0.658 122.018 122.820 -0.240 0.000 2.597 65 A HA 0.492 4.826 4.320 0.024 0.000 0.292 65 A C -2.459 174.999 177.584 -0.209 0.000 1.057 65 A CA -0.965 50.983 52.037 -0.149 0.000 0.674 65 A CB 0.451 19.429 19.000 -0.037 0.000 1.278 65 A HN -0.282 nan 8.150 nan 0.000 0.416 66 P HA -0.102 nan 4.420 nan 0.000 0.222 66 P C 0.672 177.865 177.300 -0.177 0.000 1.147 66 P CA 1.359 64.309 63.100 -0.250 0.000 0.790 66 P CB 0.315 31.831 31.700 -0.308 0.000 0.780 67 E N 0.477 120.625 120.200 -0.086 0.000 2.204 67 E HA -0.052 4.312 4.350 0.024 0.000 0.194 67 E C 2.121 178.642 176.600 -0.133 0.000 0.989 67 E CA 1.292 57.656 56.400 -0.059 0.000 0.824 67 E CB -0.938 28.764 29.700 0.004 0.000 0.756 67 E HN 0.235 nan 8.360 nan 0.000 0.477 68 A N 0.351 123.059 122.820 -0.187 0.000 2.208 68 A HA 0.074 4.409 4.320 0.024 0.000 0.209 68 A C 0.709 177.977 177.584 -0.527 0.000 1.161 68 A CA -0.073 51.843 52.037 -0.203 0.000 0.782 68 A CB 0.203 19.175 19.000 -0.047 0.000 0.816 68 A HN 0.038 nan 8.150 nan 0.000 0.477 69 V N 3.711 123.184 119.914 -0.734 0.000 2.415 69 V HA 0.155 4.289 4.120 0.024 0.000 0.267 69 V C -1.885 173.867 176.094 -0.569 0.000 1.042 69 V CA -1.322 60.332 62.300 -1.075 0.000 1.000 69 V CB 0.287 31.562 31.823 -0.914 0.000 1.015 69 V HN 0.377 nan 8.190 nan 0.000 0.478 70 P HA 0.221 nan 4.420 nan 0.000 0.272 70 P C 0.405 177.632 177.300 -0.123 0.000 1.223 70 P CA -0.340 62.635 63.100 -0.207 0.000 0.784 70 P CB 1.464 33.094 31.700 -0.116 0.000 0.923 71 E N 0.758 120.910 120.200 -0.080 0.000 2.106 71 E HA -0.162 4.202 4.350 0.024 0.000 0.192 71 E C 2.065 178.639 176.600 -0.044 0.000 0.984 71 E CA 1.918 58.280 56.400 -0.064 0.000 0.806 71 E CB -0.705 28.965 29.700 -0.051 0.000 0.750 71 E HN 0.579 nan 8.360 nan 0.000 0.458 72 S N -0.119 115.570 115.700 -0.017 0.000 2.420 72 S HA -0.249 4.235 4.470 0.024 0.000 0.237 72 S C 1.833 176.440 174.600 0.011 0.000 1.023 72 S CA 1.050 59.247 58.200 -0.005 0.000 0.991 72 S CB -0.805 62.403 63.200 0.013 0.000 0.792 72 S HN 0.556 nan 8.310 nan 0.000 0.488 73 W N 2.299 123.501 121.300 -0.163 0.000 2.350 73 W HA -0.015 4.659 4.660 0.024 0.000 0.289 73 W C 1.700 178.102 176.519 -0.195 0.000 1.215 73 W CA 1.125 58.367 57.345 -0.172 0.000 1.236 73 W CB -0.403 28.919 29.460 -0.231 0.000 1.130 73 W HN 0.299 nan 8.180 nan 0.000 0.541 74 L N 0.056 121.032 121.223 -0.412 0.000 2.056 74 L HA -0.164 4.190 4.340 0.024 0.000 0.207 74 L C 2.513 179.153 176.870 -0.384 0.000 1.078 74 L CA 1.401 55.865 54.840 -0.626 0.000 0.749 74 L CB -0.812 40.918 42.059 -0.549 0.000 0.901 74 L HN -0.071 nan 8.230 nan 0.000 0.433 75 E N -1.293 118.773 120.200 -0.223 0.000 2.250 75 E HA 0.001 4.365 4.350 0.024 0.000 0.192 75 E C 0.280 176.808 176.600 -0.120 0.000 0.986 75 E CA 0.312 56.632 56.400 -0.133 0.000 0.849 75 E CB 0.550 30.205 29.700 -0.075 0.000 0.797 75 E HN 0.338 nan 8.360 nan 0.000 0.482 76 C N 1.343 120.570 119.300 -0.121 0.000 2.783 76 C HA 0.328 4.802 4.460 0.024 0.000 0.312 76 C C -0.856 174.116 174.990 -0.030 0.000 1.182 76 C CA -1.078 57.902 59.018 -0.064 0.000 1.432 76 C CB 1.312 29.036 27.740 -0.025 0.000 1.933 76 C HN 0.130 nan 8.230 nan 0.000 0.473 77 D N 2.709 123.109 120.400 -0.000 0.000 2.455 77 D HA 0.307 4.961 4.640 0.024 0.000 0.241 77 D C -0.295 176.071 176.300 0.110 0.000 1.138 77 D CA 0.391 54.434 54.000 0.071 0.000 0.877 77 D CB 0.645 41.480 40.800 0.057 0.000 1.187 77 D HN 0.566 nan 8.370 nan 0.000 0.451 78 L N 5.790 127.121 121.223 0.181 0.000 2.319 78 L HA 0.256 4.610 4.340 0.024 0.000 0.280 78 L C -1.340 175.583 176.870 0.088 0.000 1.099 78 L CA -1.518 53.405 54.840 0.139 0.000 0.828 78 L CB 1.147 43.305 42.059 0.165 0.000 1.150 78 L HN 0.454 nan 8.230 nan 0.000 0.442 79 P HA -0.115 nan 4.420 nan 0.000 0.222 79 P C 0.791 178.113 177.300 0.036 0.000 1.147 79 P CA 0.905 64.032 63.100 0.045 0.000 0.790 79 P CB 0.323 32.044 31.700 0.035 0.000 0.780 80 E N -0.254 119.962 120.200 0.028 0.000 2.347 80 E HA 0.071 4.435 4.350 0.024 0.000 0.196 80 E C 0.938 177.536 176.600 -0.003 0.000 1.008 80 E CA 0.162 56.564 56.400 0.004 0.000 0.852 80 E CB -0.509 29.179 29.700 -0.020 0.000 0.783 80 E HN 0.180 nan 8.360 nan 0.000 0.505 81 A N 1.533 124.358 122.820 0.008 0.000 2.462 81 A HA 0.074 4.409 4.320 0.024 0.000 0.243 81 A C -0.086 177.540 177.584 0.069 0.000 1.076 81 A CA -0.312 51.730 52.037 0.008 0.000 0.773 81 A CB 0.310 19.333 19.000 0.039 0.000 1.010 81 A HN -0.041 nan 8.150 nan 0.000 0.493 82 D N 0.522 120.992 120.400 0.116 0.000 2.432 82 D HA 0.435 5.089 4.640 0.024 0.000 0.258 82 D C -0.234 176.169 176.300 0.172 0.000 1.146 82 D CA 0.230 54.323 54.000 0.155 0.000 1.015 82 D CB 0.939 41.879 40.800 0.233 0.000 1.107 82 D HN 0.438 nan 8.370 nan 0.000 0.529 83 T N 0.372 115.013 114.554 0.145 0.000 2.767 83 T HA 0.507 4.871 4.350 0.024 0.000 0.284 83 T C 0.085 174.866 174.700 0.135 0.000 0.973 83 T CA -0.640 61.554 62.100 0.155 0.000 0.996 83 T CB 0.910 69.849 68.868 0.118 0.000 0.927 83 T HN 0.275 nan 8.240 nan 0.000 0.456 84 V N 0.769 120.793 119.914 0.184 0.000 3.130 84 V HA 0.789 4.924 4.120 0.024 0.000 0.310 84 V C -0.341 175.866 176.094 0.188 0.000 1.158 84 V CA -1.126 61.239 62.300 0.108 0.000 1.029 84 V CB 1.609 33.488 31.823 0.094 0.000 1.057 84 V HN 0.545 nan 8.190 nan 0.000 0.436 85 V N 1.998 121.999 119.914 0.146 0.000 2.583 85 V HA 0.524 4.658 4.120 0.024 0.000 0.287 85 V C 0.059 176.227 176.094 0.123 0.000 1.051 85 V CA -0.093 62.300 62.300 0.155 0.000 1.010 85 V CB 1.311 33.213 31.823 0.130 0.000 0.988 85 V HN 0.746 nan 8.190 nan 0.000 0.478 86 V N 6.768 126.668 119.914 -0.023 0.000 2.638 86 V HA 0.441 4.576 4.120 0.024 0.000 0.306 86 V C -2.281 173.674 176.094 -0.232 0.000 1.052 86 V CA -1.714 60.417 62.300 -0.282 0.000 0.885 86 V CB 2.659 33.926 31.823 -0.927 0.000 0.999 86 V HN 0.771 nan 8.190 nan 0.000 0.424 87 P HA 0.328 nan 4.420 nan 0.000 0.271 87 P C -0.800 176.435 177.300 -0.108 0.000 1.218 87 P CA 0.051 63.019 63.100 -0.220 0.000 0.780 87 P CB 1.203 32.790 31.700 -0.188 0.000 0.901 88 S N 0.558 116.206 115.700 -0.088 0.000 2.558 88 S HA 0.315 4.799 4.470 0.024 0.000 0.277 88 S C -1.148 173.396 174.600 -0.093 0.000 1.143 88 S CA -1.089 57.069 58.200 -0.070 0.000 0.865 88 S CB 0.052 63.219 63.200 -0.055 0.000 1.102 88 S HN 0.334 nan 8.310 nan 0.000 0.454 89 N N 1.665 120.262 118.700 -0.172 0.000 2.422 89 N HA 0.339 5.094 4.740 0.024 0.000 0.264 89 N C 0.722 176.042 175.510 -0.316 0.000 1.063 89 N CA -0.634 52.257 53.050 -0.265 0.000 0.959 89 N CB 0.386 38.678 38.487 -0.325 0.000 1.087 89 N HN 0.875 nan 8.380 nan 0.000 0.483 90 W N 2.581 123.738 121.300 -0.238 0.000 2.468 90 W HA -0.058 4.617 4.660 0.024 0.000 0.262 90 W C 1.000 177.466 176.519 -0.089 0.000 1.241 90 W CA 0.478 57.656 57.345 -0.277 0.000 1.232 90 W CB -0.392 28.842 29.460 -0.377 0.000 1.124 90 W HN 0.490 nan 8.180 nan 0.000 0.597 91 Q N 0.618 120.339 119.800 -0.132 0.000 2.135 91 Q HA -0.162 4.192 4.340 0.024 0.000 0.204 91 Q C 2.225 178.143 176.000 -0.137 0.000 0.981 91 Q CA 2.197 57.931 55.803 -0.115 0.000 0.856 91 Q CB -0.613 27.951 28.738 -0.290 0.000 0.902 91 Q HN 0.276 nan 8.270 nan 0.000 0.425 92 M N -0.787 118.682 119.600 -0.218 0.000 2.557 92 M HA -0.064 4.430 4.480 0.024 0.000 0.259 92 M C 0.846 177.123 176.300 -0.037 0.000 1.086 92 M CA 1.407 56.592 55.300 -0.191 0.000 1.096 92 M CB -0.594 31.866 32.600 -0.234 0.000 1.424 92 M HN 0.409 nan 8.290 nan 0.000 0.488 93 H N -0.785 118.301 119.070 0.026 0.000 2.563 93 H HA 0.247 4.818 4.556 0.024 0.000 0.264 93 H C 1.238 176.472 175.328 -0.156 0.000 0.957 93 H CA 0.203 56.251 56.048 -0.000 0.000 1.173 93 H CB 0.402 30.266 29.762 0.170 0.000 1.420 93 H HN 0.548 nan 8.280 nan 0.000 0.551 94 G N 0.237 109.041 108.800 0.006 0.000 2.140 94 G HA2 -0.311 3.664 3.960 0.024 0.000 0.211 94 G HA3 -0.311 3.664 3.960 0.024 0.000 0.211 94 G C 0.128 174.899 174.900 -0.214 0.000 1.013 94 G CA 0.102 45.142 45.100 -0.101 0.000 0.705 94 G HN 0.421 nan 8.290 nan 0.000 0.508 95 Y N 1.289 121.583 120.300 -0.010 0.000 2.286 95 Y HA 0.270 4.834 4.550 0.024 0.000 0.293 95 Y C 1.641 177.217 175.900 -0.541 0.000 1.124 95 Y CA 1.566 59.528 58.100 -0.230 0.000 1.178 95 Y CB 0.283 38.707 38.460 -0.059 0.000 1.010 95 Y HN 0.609 nan 8.280 nan 0.000 0.536 96 D N -1.599 118.795 120.400 -0.010 0.000 2.579 96 D HA 0.515 5.169 4.640 0.024 0.000 0.257 96 D C -1.045 175.286 176.300 0.051 0.000 1.176 96 D CA -1.000 52.983 54.000 -0.027 0.000 0.914 96 D CB 0.935 41.839 40.800 0.173 0.000 1.431 96 D HN 0.001 nan 8.370 nan 0.000 0.454 97 A N 0.487 123.348 122.820 0.068 0.000 2.401 97 A HA 0.583 4.917 4.320 0.024 0.000 0.259 97 A C -2.163 175.416 177.584 -0.007 0.000 1.103 97 A CA -1.018 51.043 52.037 0.041 0.000 0.789 97 A CB -0.259 18.835 19.000 0.157 0.000 1.035 97 A HN 0.546 nan 8.150 nan 0.000 0.491 98 P HA 0.322 nan 4.420 nan 0.000 0.275 98 P C -0.876 176.566 177.300 0.236 0.000 1.227 98 P CA 0.216 63.251 63.100 -0.109 0.000 0.781 98 P CB 0.672 32.079 31.700 -0.489 0.000 0.906 99 I N 3.232 124.023 120.570 0.368 0.000 2.382 99 I HA 0.216 4.400 4.170 0.024 0.000 0.286 99 I C -0.249 176.021 176.117 0.256 0.000 1.002 99 I CA -1.005 60.502 61.300 0.345 0.000 1.135 99 I CB 1.134 39.291 38.000 0.261 0.000 1.288 99 I HN 0.288 nan 8.210 nan 0.000 0.448 100 Y N 6.766 126.970 120.300 -0.159 0.000 2.404 100 Y HA 0.493 5.057 4.550 0.024 0.000 0.344 100 Y C -0.063 175.669 175.900 -0.280 0.000 0.970 100 Y CA -0.387 57.356 58.100 -0.594 0.000 1.180 100 Y CB 0.986 38.624 38.460 -1.370 0.000 1.138 100 Y HN 0.544 nan 8.280 nan 0.000 0.510 101 T N 5.616 119.682 114.554 -0.813 0.000 2.886 101 T HA 0.247 4.611 4.350 0.024 0.000 0.292 101 T C 0.342 174.546 174.700 -0.828 0.000 1.012 101 T CA -0.692 60.922 62.100 -0.810 0.000 0.982 101 T CB 1.070 69.703 68.868 -0.392 0.000 1.018 101 T HN 0.793 nan 8.240 nan 0.000 0.451 102 N N 2.765 120.997 118.700 -0.781 0.000 2.131 102 N HA 0.003 4.757 4.740 0.024 0.000 0.190 102 N C 1.440 176.669 175.510 -0.469 0.000 1.055 102 N CA 1.670 54.401 53.050 -0.533 0.000 0.853 102 N CB -0.294 37.889 38.487 -0.507 0.000 1.035 102 N HN 0.465 nan 8.380 nan 0.000 0.440 103 V N -0.177 119.400 119.914 -0.561 0.000 2.911 103 V HA 0.147 4.281 4.120 0.024 0.000 0.237 103 V C 0.314 176.071 176.094 -0.562 0.000 1.156 103 V CA 0.435 62.312 62.300 -0.705 0.000 1.180 103 V CB -0.283 30.985 31.823 -0.926 0.000 0.932 103 V HN 0.211 nan 8.190 nan 0.000 0.483 104 T N 1.462 115.757 114.554 -0.432 0.000 2.902 104 T HA 0.168 4.532 4.350 0.024 0.000 0.301 104 T C -0.370 174.165 174.700 -0.276 0.000 1.012 104 T CA 0.260 62.183 62.100 -0.295 0.000 1.151 104 T CB -0.165 68.573 68.868 -0.217 0.000 0.946 104 T HN 0.159 nan 8.240 nan 0.000 0.542 105 Y N 4.796 124.989 120.300 -0.179 0.000 2.702 105 Y HA 0.086 4.650 4.550 0.023 0.000 0.336 105 Y C -0.720 175.041 175.900 -0.231 0.000 1.235 105 Y CA -1.534 56.449 58.100 -0.194 0.000 1.492 105 Y CB 0.328 38.674 38.460 -0.190 0.000 1.308 105 Y HN 0.523 nan 8.280 nan 0.000 0.589 106 P HA -0.062 nan 4.420 nan 0.000 0.230 106 P C -0.151 176.926 177.300 -0.372 0.000 1.158 106 P CA 1.221 64.198 63.100 -0.205 0.000 0.769 106 P CB 0.105 31.706 31.700 -0.165 0.000 0.807 107 I N -4.828 115.479 120.570 -0.438 0.000 3.067 107 I HA 0.479 4.663 4.170 0.024 0.000 0.312 107 I C -0.473 175.509 176.117 -0.225 0.000 1.073 107 I CA -1.263 59.763 61.300 -0.457 0.000 1.016 107 I CB 1.421 38.983 38.000 -0.729 0.000 1.227 107 I HN -0.457 nan 8.210 nan 0.000 0.456 108 T N 2.759 117.224 114.554 -0.150 0.000 2.867 108 T HA 0.142 4.507 4.350 0.024 0.000 0.297 108 T C 0.290 174.975 174.700 -0.026 0.000 0.989 108 T CA -0.321 61.744 62.100 -0.058 0.000 1.159 108 T CB 0.451 69.308 68.868 -0.019 0.000 0.928 108 T HN 0.388 nan 8.240 nan 0.000 0.538 109 V N 4.824 124.737 119.914 -0.002 0.000 2.359 109 V HA 0.158 4.292 4.120 0.024 0.000 0.248 109 V C 0.778 176.914 176.094 0.070 0.000 1.091 109 V CA -0.162 62.159 62.300 0.035 0.000 1.103 109 V CB -0.863 30.969 31.823 0.015 0.000 1.176 109 V HN 0.840 nan 8.190 nan 0.000 0.488 110 N N 5.815 124.614 118.700 0.165 0.000 2.697 110 N HA 0.275 5.029 4.740 0.024 0.000 0.253 110 N C -2.826 172.780 175.510 0.161 0.000 1.604 110 N CA -1.417 51.728 53.050 0.157 0.000 0.772 110 N CB 1.592 40.193 38.487 0.190 0.000 1.267 110 N HN 0.279 nan 8.380 nan 0.000 0.510 111 P HA 0.208 nan 4.420 nan 0.000 0.268 111 P C -2.085 175.074 177.300 -0.236 0.000 1.205 111 P CA -0.744 62.031 63.100 -0.541 0.000 0.771 111 P CB 0.921 32.104 31.700 -0.861 0.000 0.858 112 P HA 0.136 nan 4.420 nan 0.000 0.261 112 P C -0.072 177.189 177.300 -0.065 0.000 1.268 112 P CA -0.050 62.900 63.100 -0.250 0.000 0.833 112 P CB 0.109 31.591 31.700 -0.363 0.000 1.231 113 F N 1.397 121.448 119.950 0.168 0.000 2.450 113 F HA 0.210 4.752 4.527 0.024 0.000 0.339 113 F C 1.424 177.380 175.800 0.260 0.000 1.146 113 F CA -0.498 57.608 58.000 0.178 0.000 1.267 113 F CB 0.196 39.254 39.000 0.096 0.000 1.178 113 F HN -0.217 nan 8.300 nan 0.000 0.585 114 V N -0.809 119.365 119.914 0.434 0.000 3.113 114 V HA 0.716 4.850 4.120 0.024 0.000 0.316 114 V C -2.741 173.512 176.094 0.265 0.000 1.125 114 V CA -2.952 59.532 62.300 0.308 0.000 1.026 114 V CB 1.327 33.387 31.823 0.394 0.000 1.080 114 V HN 0.495 nan 8.190 nan 0.000 0.444 115 P HA 0.227 nan 4.420 nan 0.000 0.269 115 P C 1.019 178.461 177.300 0.236 0.000 1.209 115 P CA 0.354 63.553 63.100 0.165 0.000 0.776 115 P CB 0.566 32.339 31.700 0.122 0.000 0.876 116 T N -1.171 113.495 114.554 0.186 0.000 2.833 116 T HA -0.124 4.240 4.350 0.024 0.000 0.269 116 T C 0.591 175.395 174.700 0.173 0.000 1.054 116 T CA 0.869 63.081 62.100 0.188 0.000 1.135 116 T CB -0.610 68.335 68.868 0.129 0.000 0.869 116 T HN 0.414 nan 8.240 nan 0.000 0.466 117 E N 2.726 123.025 120.200 0.165 0.000 1.795 117 E HA 0.161 4.525 4.350 0.024 0.000 0.261 117 E C -0.606 176.137 176.600 0.238 0.000 1.238 117 E CA -0.318 56.184 56.400 0.168 0.000 1.001 117 E CB -0.094 29.710 29.700 0.173 0.000 1.065 117 E HN 0.230 nan 8.360 nan 0.000 0.418 118 N N 4.041 122.850 118.700 0.181 0.000 2.626 118 N HA 0.212 4.967 4.740 0.024 0.000 0.249 118 N C -2.805 172.720 175.510 0.024 0.000 1.021 118 N CA -2.541 50.638 53.050 0.215 0.000 0.886 118 N CB 1.056 39.662 38.487 0.198 0.000 1.149 118 N HN 0.013 nan 8.380 nan 0.000 0.517 119 P HA -0.015 nan 4.420 nan 0.000 0.255 119 P C -0.798 176.418 177.300 -0.140 0.000 1.173 119 P CA 0.592 63.645 63.100 -0.077 0.000 0.780 119 P CB 0.149 32.095 31.700 0.409 0.000 0.758 120 T N 2.935 117.187 114.554 -0.503 0.000 2.795 120 T HA 0.556 4.920 4.350 0.024 0.000 0.282 120 T C 0.593 174.827 174.700 -0.776 0.000 0.980 120 T CA -0.520 61.323 62.100 -0.429 0.000 1.012 120 T CB 1.477 70.108 68.868 -0.394 0.000 0.936 120 T HN 0.290 nan 8.240 nan 0.000 0.457 121 G N 0.707 109.119 108.800 -0.647 0.000 2.370 121 G HA2 0.475 4.449 3.960 0.024 0.000 0.317 121 G HA3 0.475 4.449 3.960 0.024 0.000 0.317 121 G C -0.447 174.197 174.900 -0.427 0.000 1.162 121 G CA -0.405 44.186 45.100 -0.848 0.000 0.922 121 G HN 0.861 nan 8.290 nan 0.000 0.454 122 C N 3.363 122.192 119.300 -0.784 0.000 2.206 122 C HA 0.429 4.904 4.460 0.024 0.000 0.324 122 C C -0.494 174.426 174.990 -0.116 0.000 1.120 122 C CA -0.989 57.713 59.018 -0.527 0.000 1.546 122 C CB -1.789 25.270 27.740 -1.134 0.000 2.023 122 C HN 0.633 nan 8.230 nan 0.000 0.448 123 Y N 2.099 122.673 120.300 0.456 0.000 2.334 123 Y HA 0.563 5.128 4.550 0.024 0.000 0.328 123 Y C 0.896 177.236 175.900 0.734 0.000 1.130 123 Y CA 0.032 58.525 58.100 0.655 0.000 1.163 123 Y CB 1.244 40.096 38.460 0.653 0.000 1.207 123 Y HN 0.641 nan 8.280 nan 0.000 0.471 124 S N 2.779 118.932 115.700 0.755 0.000 2.556 124 S HA 0.779 5.263 4.470 0.024 0.000 0.271 124 S C -1.911 172.730 174.600 0.069 0.000 1.135 124 S CA -0.822 57.600 58.200 0.370 0.000 0.858 124 S CB 1.991 65.338 63.200 0.245 0.000 1.114 124 S HN 0.577 nan 8.310 nan 0.000 0.468 125 L N 1.714 122.787 121.223 -0.250 0.000 2.476 125 L HA 0.642 4.996 4.340 0.024 0.000 0.269 125 L C -0.887 175.916 176.870 -0.113 0.000 0.965 125 L CA 0.103 54.647 54.840 -0.493 0.000 0.845 125 L CB 2.107 43.314 42.059 -1.420 0.000 1.259 125 L HN 0.922 nan 8.230 nan 0.000 0.403 126 T N 5.715 120.245 114.554 -0.040 0.000 2.744 126 T HA 0.688 5.052 4.350 0.024 0.000 0.291 126 T C -0.572 174.189 174.700 0.102 0.000 0.957 126 T CA -0.041 62.077 62.100 0.031 0.000 1.002 126 T CB 0.190 69.045 68.868 -0.022 0.000 0.919 126 T HN 0.445 nan 8.240 nan 0.000 0.468 127 F N 0.611 120.468 119.950 -0.155 0.000 2.685 127 F HA 0.736 5.277 4.527 0.024 0.000 0.315 127 F C -0.952 174.774 175.800 -0.123 0.000 1.126 127 F CA -1.816 56.096 58.000 -0.147 0.000 0.950 127 F CB 1.170 40.059 39.000 -0.185 0.000 1.360 127 F HN 0.343 nan 8.300 nan 0.000 0.469 128 N N -0.086 118.531 118.700 -0.138 0.000 2.487 128 N HA 0.694 5.448 4.740 0.024 0.000 0.292 128 N C -1.880 173.477 175.510 -0.256 0.000 1.108 128 N CA -0.445 52.466 53.050 -0.231 0.000 0.956 128 N CB 1.782 40.197 38.487 -0.120 0.000 1.176 128 N HN 0.621 nan 8.380 nan 0.000 0.484 129 V N 2.263 122.006 119.914 -0.285 0.000 2.577 129 V HA 0.255 4.389 4.120 0.024 0.000 0.303 129 V C -0.929 175.054 176.094 -0.185 0.000 1.042 129 V CA -0.987 61.163 62.300 -0.250 0.000 0.872 129 V CB 1.682 33.388 31.823 -0.196 0.000 0.998 129 V HN 0.705 nan 8.190 nan 0.000 0.423 130 D N 3.011 123.270 120.400 -0.236 0.000 2.424 130 D HA 0.060 4.715 4.640 0.024 0.000 0.244 130 D C 1.043 177.363 176.300 0.034 0.000 1.134 130 D CA 0.036 53.977 54.000 -0.098 0.000 0.881 130 D CB 1.826 42.572 40.800 -0.090 0.000 1.191 130 D HN 0.729 nan 8.370 nan 0.000 0.445 131 E N 1.545 121.771 120.200 0.043 0.000 2.160 131 E HA -0.206 4.158 4.350 0.024 0.000 0.195 131 E C 1.632 178.306 176.600 0.123 0.000 0.991 131 E CA 1.549 57.992 56.400 0.073 0.000 0.810 131 E CB -0.057 29.667 29.700 0.041 0.000 0.742 131 E HN 0.420 nan 8.360 nan 0.000 0.466 132 S N -0.911 114.875 115.700 0.143 0.000 2.400 132 S HA -0.188 4.296 4.470 0.024 0.000 0.232 132 S C 1.768 176.466 174.600 0.164 0.000 1.025 132 S CA 1.126 59.411 58.200 0.142 0.000 0.993 132 S CB -0.880 62.406 63.200 0.144 0.000 0.808 132 S HN 0.431 nan 8.310 nan 0.000 0.478 133 W N 1.534 122.801 121.300 -0.054 0.000 2.476 133 W HA 0.379 5.054 4.660 0.024 0.000 0.281 133 W C 1.970 178.594 176.519 0.175 0.000 1.230 133 W CA 0.003 57.346 57.345 -0.004 0.000 1.287 133 W CB -0.415 29.090 29.460 0.075 0.000 1.108 133 W HN 0.291 nan 8.180 nan 0.000 0.567 134 L N -0.758 120.655 121.223 0.317 0.000 2.554 134 L HA 0.099 4.453 4.340 0.024 0.000 0.225 134 L C 2.218 179.177 176.870 0.147 0.000 1.104 134 L CA 0.232 55.202 54.840 0.216 0.000 0.866 134 L CB -0.650 41.503 42.059 0.157 0.000 1.047 134 L HN -0.070 nan 8.230 nan 0.000 0.468 135 Q N 0.850 120.729 119.800 0.132 0.000 2.061 135 Q HA -0.156 4.198 4.340 0.024 0.000 0.204 135 Q C 0.602 176.653 176.000 0.085 0.000 0.984 135 Q CA 1.549 57.404 55.803 0.087 0.000 0.846 135 Q CB 0.398 29.178 28.738 0.069 0.000 0.902 135 Q HN 0.438 nan 8.270 nan 0.000 0.421 136 E N -1.935 118.334 120.200 0.115 0.000 2.430 136 E HA 0.495 4.860 4.350 0.024 0.000 0.279 136 E C -0.148 176.557 176.600 0.174 0.000 1.003 136 E CA -0.216 56.248 56.400 0.106 0.000 0.801 136 E CB 1.262 31.004 29.700 0.070 0.000 1.313 136 E HN 0.237 nan 8.360 nan 0.000 0.459 137 G N 0.921 109.760 108.800 0.064 0.000 2.512 137 G HA2 -0.135 3.839 3.960 0.024 0.000 0.210 137 G HA3 -0.135 3.839 3.960 0.024 0.000 0.210 137 G C -1.151 173.636 174.900 -0.187 0.000 1.295 137 G CA -0.076 44.967 45.100 -0.094 0.000 0.934 137 G HN 0.728 nan 8.290 nan 0.000 0.554 138 Q N -0.159 119.363 119.800 -0.464 0.000 2.292 138 Q HA 0.604 4.958 4.340 0.024 0.000 0.270 138 Q C -1.149 174.695 176.000 -0.260 0.000 1.024 138 Q CA -0.431 55.224 55.803 -0.248 0.000 0.768 138 Q CB 1.515 30.154 28.738 -0.165 0.000 1.250 138 Q HN 0.634 nan 8.270 nan 0.000 0.447 139 T N 4.960 119.526 114.554 0.021 0.000 2.770 139 T HA 0.421 4.785 4.350 0.024 0.000 0.297 139 T C -0.465 174.349 174.700 0.190 0.000 0.997 139 T CA -0.561 61.663 62.100 0.206 0.000 0.949 139 T CB 0.234 69.348 68.868 0.410 0.000 0.941 139 T HN 0.560 nan 8.240 nan 0.000 0.457 140 R N 2.967 123.567 120.500 0.166 0.000 2.664 140 R HA 0.723 5.077 4.340 0.024 0.000 0.286 140 R C -0.916 175.475 176.300 0.152 0.000 0.967 140 R CA -0.934 55.261 56.100 0.157 0.000 0.933 140 R CB 1.319 31.691 30.300 0.120 0.000 1.146 140 R HN 0.534 nan 8.270 nan 0.000 0.468 141 I N 3.527 124.188 120.570 0.152 0.000 2.385 141 I HA 0.336 4.520 4.170 0.024 0.000 0.294 141 I C -0.879 175.264 176.117 0.043 0.000 0.988 141 I CA -1.006 60.322 61.300 0.047 0.000 1.265 141 I CB 0.939 38.955 38.000 0.027 0.000 1.388 141 I HN 0.636 nan 8.210 nan 0.000 0.480 142 I N 7.879 128.377 120.570 -0.121 0.000 2.382 142 I HA 0.260 4.444 4.170 0.024 0.000 0.286 142 I C -1.136 174.822 176.117 -0.265 0.000 1.002 142 I CA -0.308 60.941 61.300 -0.085 0.000 1.135 142 I CB 1.042 39.011 38.000 -0.052 0.000 1.288 142 I HN 0.390 nan 8.210 nan 0.000 0.448 143 F N 4.757 124.689 119.950 -0.029 0.000 2.313 143 F HA 0.254 4.795 4.527 0.024 0.000 0.369 143 F C 1.283 176.970 175.800 -0.188 0.000 1.109 143 F CA -0.451 57.453 58.000 -0.160 0.000 1.132 143 F CB 0.616 39.450 39.000 -0.277 0.000 1.291 143 F HN 0.459 nan 8.300 nan 0.000 0.496 144 D N 2.288 122.611 120.400 -0.128 0.000 2.218 144 D HA 0.002 4.656 4.640 0.024 0.000 0.204 144 D C 1.120 177.260 176.300 -0.267 0.000 0.976 144 D CA 1.045 54.921 54.000 -0.206 0.000 0.853 144 D CB 0.290 40.906 40.800 -0.306 0.000 0.939 144 D HN 0.600 nan 8.370 nan 0.000 0.481 145 G N -0.403 108.174 108.800 -0.372 0.000 2.267 145 G HA2 0.442 4.417 3.960 0.024 0.000 0.285 145 G HA3 0.442 4.417 3.960 0.024 0.000 0.285 145 G C -1.385 173.259 174.900 -0.427 0.000 1.323 145 G CA -0.404 44.359 45.100 -0.561 0.000 1.306 145 G HN -0.047 nan 8.290 nan 0.000 0.617 146 V N 2.845 122.709 119.914 -0.085 0.000 2.444 146 V HA 0.496 4.630 4.120 0.024 0.000 0.294 146 V C -0.663 175.543 176.094 0.186 0.000 1.022 146 V CA -1.176 61.113 62.300 -0.018 0.000 0.850 146 V CB 1.824 33.452 31.823 -0.326 0.000 0.992 146 V HN 0.669 nan 8.190 nan 0.000 0.426 147 N N 2.713 121.525 118.700 0.186 0.000 2.476 147 N HA 0.281 5.035 4.740 0.024 0.000 0.257 147 N C 0.612 176.091 175.510 -0.051 0.000 0.970 147 N CA 0.146 53.212 53.050 0.027 0.000 0.938 147 N CB 2.079 40.425 38.487 -0.235 0.000 1.144 147 N HN 0.689 nan 8.380 nan 0.000 0.500 148 S N 1.899 117.597 115.700 -0.002 0.000 2.559 148 S HA 0.574 5.059 4.470 0.024 0.000 0.226 148 S C 0.251 174.917 174.600 0.110 0.000 1.030 148 S CA 0.004 58.242 58.200 0.064 0.000 0.956 148 S CB 0.360 63.606 63.200 0.077 0.000 0.900 148 S HN 0.647 nan 8.310 nan 0.000 0.510 149 A N 0.901 123.792 122.820 0.119 0.000 2.605 149 A HA 0.716 5.051 4.320 0.024 0.000 0.294 149 A C -1.438 176.213 177.584 0.111 0.000 1.062 149 A CA -0.912 51.144 52.037 0.031 0.000 0.682 149 A CB 0.790 19.809 19.000 0.033 0.000 1.278 149 A HN 1.064 nan 8.150 nan 0.000 0.410 150 F N -0.228 119.537 119.950 -0.308 0.000 2.641 150 F HA 0.768 5.310 4.527 0.024 0.000 0.308 150 F C -1.056 174.617 175.800 -0.211 0.000 1.105 150 F CA -0.722 57.177 58.000 -0.168 0.000 0.964 150 F CB 1.178 40.062 39.000 -0.192 0.000 1.294 150 F HN 0.614 nan 8.300 nan 0.000 0.442 151 H N 2.534 121.721 119.070 0.196 0.000 2.472 151 H HA 0.649 5.219 4.556 0.024 0.000 0.338 151 H C -1.328 173.931 175.328 -0.115 0.000 1.133 151 H CA -0.678 55.370 56.048 -0.001 0.000 1.216 151 H CB 2.438 32.231 29.762 0.051 0.000 1.497 151 H HN 0.816 nan 8.280 nan 0.000 0.500 152 L N 3.726 124.702 121.223 -0.413 0.000 2.333 152 L HA 0.366 4.720 4.340 0.024 0.000 0.280 152 L C -1.434 175.082 176.870 -0.590 0.000 1.004 152 L CA -0.476 54.163 54.840 -0.335 0.000 0.820 152 L CB 1.044 42.809 42.059 -0.490 0.000 1.247 152 L HN 0.491 nan 8.230 nan 0.000 0.416 153 W N 4.730 125.973 121.300 -0.095 0.000 2.666 153 W HA 0.553 5.228 4.660 0.024 0.000 0.334 153 W C -0.967 175.479 176.519 -0.122 0.000 1.051 153 W CA -0.798 56.481 57.345 -0.109 0.000 1.224 153 W CB 1.991 31.424 29.460 -0.046 0.000 1.405 153 W HN 0.539 nan 8.180 nan 0.000 0.513 154 C N 5.318 124.669 119.300 0.085 0.000 2.364 154 C HA 0.287 4.762 4.460 0.024 0.000 0.324 154 C C 0.376 175.491 174.990 0.209 0.000 1.234 154 C CA -0.319 58.771 59.018 0.121 0.000 1.417 154 C CB -0.542 27.235 27.740 0.063 0.000 2.101 154 C HN 0.813 nan 8.230 nan 0.000 0.466 155 N N 3.687 122.465 118.700 0.129 0.000 2.721 155 N HA -0.193 4.562 4.740 0.024 0.000 0.249 155 N C 0.978 176.550 175.510 0.103 0.000 1.072 155 N CA 1.976 55.078 53.050 0.087 0.000 0.710 155 N CB -1.295 37.246 38.487 0.091 0.000 0.993 155 N HN 1.718 nan 8.380 nan 0.000 0.547 156 G N -1.035 107.825 108.800 0.099 0.000 2.363 156 G HA2 -0.379 3.595 3.960 0.024 0.000 0.238 156 G HA3 -0.379 3.595 3.960 0.024 0.000 0.238 156 G C 0.212 175.291 174.900 0.298 0.000 1.062 156 G CA 0.519 45.681 45.100 0.103 0.000 0.629 156 G HN 0.533 nan 8.290 nan 0.000 0.514 157 R N -0.324 120.389 120.500 0.354 0.000 2.438 157 R HA 0.396 4.750 4.340 0.024 0.000 0.287 157 R C -0.015 176.599 176.300 0.523 0.000 1.077 157 R CA -0.460 55.924 56.100 0.473 0.000 1.034 157 R CB 0.626 31.223 30.300 0.495 0.000 0.993 157 R HN 0.355 nan 8.270 nan 0.000 0.459 158 W N 3.628 125.085 121.300 0.261 0.000 2.266 158 W HA 0.165 4.839 4.660 0.024 0.000 0.317 158 W C 0.014 176.408 176.519 -0.208 0.000 1.310 158 W CA -0.288 56.940 57.345 -0.195 0.000 1.207 158 W CB 0.706 30.006 29.460 -0.267 0.000 1.199 158 W HN 0.305 nan 8.180 nan 0.000 0.544 159 V N 5.224 124.338 119.914 -1.333 0.000 2.599 159 V HA 0.554 4.688 4.120 0.024 0.000 0.237 159 V C 1.054 176.144 176.094 -1.673 0.000 1.081 159 V CA 1.018 62.479 62.300 -1.397 0.000 1.107 159 V CB -0.578 30.496 31.823 -1.249 0.000 0.808 159 V HN 0.836 nan 8.190 nan 0.000 0.486 160 G N -1.884 105.758 108.800 -1.931 0.000 2.427 160 G HA2 0.466 4.440 3.960 0.024 0.000 0.306 160 G HA3 0.466 4.440 3.960 0.024 0.000 0.306 160 G C -2.410 172.098 174.900 -0.652 0.000 1.280 160 G CA -0.281 44.093 45.100 -1.209 0.000 0.837 160 G HN 0.066 nan 8.290 nan 0.000 0.482 161 Y N -0.473 119.635 120.300 -0.320 0.000 2.534 161 Y HA 0.665 5.229 4.550 0.024 0.000 0.345 161 Y C -0.072 175.643 175.900 -0.308 0.000 1.031 161 Y CA -0.035 57.792 58.100 -0.455 0.000 1.022 161 Y CB 2.309 40.600 38.460 -0.282 0.000 1.292 161 Y HN 1.114 nan 8.280 nan 0.000 0.459 162 G N 3.993 112.008 108.800 -1.308 0.000 2.706 162 G HA2 0.591 4.565 3.960 0.024 0.000 0.297 162 G HA3 0.591 4.565 3.960 0.024 0.000 0.297 162 G C -2.091 172.364 174.900 -0.743 0.000 1.403 162 G CA -0.768 43.855 45.100 -0.794 0.000 0.954 162 G HN 0.624 nan 8.290 nan 0.000 0.500 163 Q N -0.269 119.352 119.800 -0.300 0.000 2.587 163 Q HA 0.570 4.925 4.340 0.024 0.000 0.293 163 Q C -1.436 174.567 176.000 0.006 0.000 1.083 163 Q CA -0.815 54.919 55.803 -0.114 0.000 0.792 163 Q CB 2.696 31.416 28.738 -0.031 0.000 1.484 163 Q HN 0.660 nan 8.270 nan 0.000 0.446 164 D N -0.362 120.077 120.400 0.066 0.000 4.874 164 D HA -0.101 4.553 4.640 0.024 0.000 0.228 164 D C -0.538 175.831 176.300 0.115 0.000 1.423 164 D CA 0.528 54.584 54.000 0.094 0.000 1.130 164 D CB -0.396 40.444 40.800 0.067 0.000 0.564 164 D HN 0.519 nan 8.370 nan 0.000 0.272 165 S N 3.444 119.228 115.700 0.141 0.000 2.515 165 S HA -0.027 4.457 4.470 0.024 0.000 0.231 165 S C 1.491 176.225 174.600 0.223 0.000 0.987 165 S CA 0.491 58.808 58.200 0.194 0.000 0.936 165 S CB 0.276 63.570 63.200 0.157 0.000 0.766 165 S HN 0.452 nan 8.310 nan 0.000 0.528 166 R N 0.202 120.794 120.500 0.153 0.000 2.565 166 R HA 0.443 4.797 4.340 0.024 0.000 0.347 166 R C -0.445 175.910 176.300 0.092 0.000 1.010 166 R CA 0.040 56.225 56.100 0.142 0.000 1.126 166 R CB 0.130 30.542 30.300 0.188 0.000 1.331 166 R HN 0.313 nan 8.270 nan 0.000 0.552 167 L N 1.635 122.887 121.223 0.049 0.000 2.350 167 L HA 0.524 4.878 4.340 0.024 0.000 0.260 167 L C -2.368 174.484 176.870 -0.029 0.000 1.015 167 L CA -2.293 52.548 54.840 0.001 0.000 0.821 167 L CB 3.048 45.104 42.059 -0.005 0.000 1.370 167 L HN -0.202 nan 8.230 nan 0.000 0.416 168 P HA 0.105 nan 4.420 nan 0.000 0.271 168 P C -1.003 176.279 177.300 -0.030 0.000 1.216 168 P CA -0.213 62.848 63.100 -0.064 0.000 0.771 168 P CB 1.161 32.782 31.700 -0.131 0.000 0.864 169 S N 2.257 118.015 115.700 0.097 0.000 2.437 169 S HA 0.306 4.791 4.470 0.024 0.000 0.305 169 S C -0.279 174.385 174.600 0.108 0.000 1.109 169 S CA -0.581 57.684 58.200 0.110 0.000 1.099 169 S CB 0.789 64.266 63.200 0.461 0.000 1.004 169 S HN 0.381 nan 8.310 nan 0.000 0.475 170 E N 2.030 122.088 120.200 -0.237 0.000 2.210 170 E HA 0.493 4.857 4.350 0.024 0.000 0.266 170 E C -1.513 174.826 176.600 -0.436 0.000 0.883 170 E CA -0.487 55.829 56.400 -0.140 0.000 0.761 170 E CB 1.629 31.293 29.700 -0.060 0.000 1.156 170 E HN 0.412 nan 8.360 nan 0.000 0.412 171 F N 0.997 121.007 119.950 0.100 0.000 2.547 171 F HA 0.177 4.719 4.527 0.025 0.000 0.316 171 F C 0.133 175.964 175.800 0.051 0.000 1.121 171 F CA -1.099 56.927 58.000 0.043 0.000 0.911 171 F CB 1.525 40.523 39.000 -0.003 0.000 1.179 171 F HN 0.289 nan 8.300 nan 0.000 0.443 172 D N 3.517 124.040 120.400 0.205 0.000 2.371 172 D HA 0.164 4.819 4.640 0.024 0.000 0.256 172 D C 0.335 176.780 176.300 0.241 0.000 1.193 172 D CA 0.459 54.569 54.000 0.184 0.000 0.881 172 D CB 0.920 41.808 40.800 0.148 0.000 1.143 172 D HN 0.591 nan 8.370 nan 0.000 0.473 173 L N 2.814 124.184 121.223 0.245 0.000 2.808 173 L HA 0.053 4.408 4.340 0.024 0.000 0.246 173 L C 2.059 179.135 176.870 0.343 0.000 1.153 173 L CA -0.201 54.826 54.840 0.313 0.000 0.956 173 L CB 0.130 42.332 42.059 0.239 0.000 1.270 173 L HN 0.261 nan 8.230 nan 0.000 0.528 174 S N 1.417 117.270 115.700 0.255 0.000 2.365 174 S HA -0.241 4.244 4.470 0.024 0.000 0.225 174 S C 2.036 176.723 174.600 0.145 0.000 1.039 174 S CA 1.811 60.120 58.200 0.182 0.000 1.033 174 S CB -0.091 63.179 63.200 0.118 0.000 0.887 174 S HN 0.554 nan 8.310 nan 0.000 0.447 175 A N -0.539 122.350 122.820 0.115 0.000 2.218 175 A HA 0.338 4.672 4.320 0.024 0.000 0.209 175 A C 1.312 178.789 177.584 -0.178 0.000 1.168 175 A CA 0.248 52.245 52.037 -0.066 0.000 0.804 175 A CB -0.412 18.480 19.000 -0.180 0.000 0.834 175 A HN 0.477 nan 8.150 nan 0.000 0.482 176 F N -0.676 119.312 119.950 0.063 0.000 2.731 176 F HA 0.379 4.920 4.527 0.024 0.000 0.298 176 F C 0.457 176.287 175.800 0.050 0.000 1.106 176 F CA 0.099 58.134 58.000 0.059 0.000 1.329 176 F CB 0.240 39.279 39.000 0.065 0.000 1.100 176 F HN -0.026 nan 8.300 nan 0.000 0.592 177 L N 0.878 122.219 121.223 0.198 0.000 2.331 177 L HA 0.543 4.897 4.340 0.024 0.000 0.275 177 L C -0.002 176.898 176.870 0.049 0.000 1.022 177 L CA -0.934 53.973 54.840 0.112 0.000 0.812 177 L CB 1.728 43.865 42.059 0.130 0.000 1.257 177 L HN -0.023 nan 8.230 nan 0.000 0.435 178 R N 1.785 122.281 120.500 -0.007 0.000 2.832 178 R HA 0.846 5.200 4.340 0.024 0.000 0.271 178 R C -0.754 175.516 176.300 -0.050 0.000 0.996 178 R CA -0.842 55.245 56.100 -0.021 0.000 0.977 178 R CB 1.535 31.815 30.300 -0.033 0.000 1.168 178 R HN 0.561 nan 8.270 nan 0.000 0.482 179 A N 1.389 124.190 122.820 -0.032 0.000 2.488 179 A HA 0.499 4.833 4.320 0.024 0.000 0.249 179 A C 0.998 178.535 177.584 -0.078 0.000 1.083 179 A CA 0.911 52.922 52.037 -0.044 0.000 0.768 179 A CB -0.640 18.350 19.000 -0.017 0.000 1.017 179 A HN 1.281 nan 8.150 nan 0.000 0.496 180 G N 1.600 110.335 108.800 -0.109 0.000 2.516 180 G HA2 -0.097 3.877 3.960 0.024 0.000 0.220 180 G HA3 -0.097 3.877 3.960 0.024 0.000 0.220 180 G C -0.480 174.302 174.900 -0.197 0.000 1.165 180 G CA -0.155 44.869 45.100 -0.125 0.000 1.013 180 G HN 0.857 nan 8.290 nan 0.000 0.590 181 E N 2.295 122.388 120.200 -0.178 0.000 2.259 181 E HA 0.381 4.745 4.350 0.024 0.000 0.281 181 E C 0.090 176.520 176.600 -0.284 0.000 1.037 181 E CA -0.079 56.184 56.400 -0.228 0.000 0.854 181 E CB 0.630 30.243 29.700 -0.145 0.000 1.051 181 E HN 0.458 nan 8.360 nan 0.000 0.409 182 N N 2.331 120.740 118.700 -0.485 0.000 2.312 182 N HA 0.406 5.160 4.740 0.024 0.000 0.296 182 N C -0.612 174.687 175.510 -0.353 0.000 1.193 182 N CA -0.648 52.111 53.050 -0.485 0.000 0.773 182 N CB 2.696 40.740 38.487 -0.739 0.000 1.435 182 N HN 0.194 nan 8.380 nan 0.000 0.484 183 R N 1.711 122.145 120.500 -0.110 0.000 2.502 183 R HA 0.441 4.796 4.340 0.024 0.000 0.300 183 R C -1.208 175.143 176.300 0.085 0.000 0.984 183 R CA -0.501 55.604 56.100 0.009 0.000 0.882 183 R CB 0.999 31.266 30.300 -0.056 0.000 1.180 183 R HN 0.482 nan 8.270 nan 0.000 0.444 184 L N 3.069 124.371 121.223 0.132 0.000 2.334 184 L HA 0.652 5.006 4.340 0.024 0.000 0.277 184 L C -0.076 176.812 176.870 0.031 0.000 1.075 184 L CA -0.697 54.209 54.840 0.109 0.000 0.804 184 L CB 1.815 43.925 42.059 0.085 0.000 1.174 184 L HN 0.699 nan 8.230 nan 0.000 0.438 185 A N 3.379 126.230 122.820 0.051 0.000 2.332 185 A HA 0.716 5.051 4.320 0.024 0.000 0.300 185 A C -0.933 176.883 177.584 0.388 0.000 1.153 185 A CA -0.443 51.524 52.037 -0.116 0.000 0.764 185 A CB 1.286 19.804 19.000 -0.804 0.000 1.174 185 A HN 0.388 nan 8.150 nan 0.000 0.467 186 V N 3.834 124.144 119.914 0.659 0.000 2.376 186 V HA 0.384 4.519 4.120 0.024 0.000 0.287 186 V C -0.044 176.561 176.094 0.852 0.000 1.015 186 V CA -0.220 62.498 62.300 0.696 0.000 0.834 186 V CB 1.384 33.474 31.823 0.445 0.000 1.001 186 V HN 0.963 nan 8.190 nan 0.000 0.428 187 M N 6.081 126.202 119.600 0.869 0.000 2.069 187 M HA 0.476 4.970 4.480 0.024 0.000 0.349 187 M C -1.160 175.392 176.300 0.419 0.000 1.194 187 M CA -0.335 55.304 55.300 0.565 0.000 1.081 187 M CB 0.859 33.826 32.600 0.612 0.000 1.500 187 M HN 0.466 nan 8.290 nan 0.000 0.438 188 V N 6.906 127.039 119.914 0.365 0.000 2.383 188 V HA 0.344 4.478 4.120 0.024 0.000 0.275 188 V C -0.140 176.126 176.094 0.287 0.000 1.036 188 V CA -0.580 61.947 62.300 0.378 0.000 0.889 188 V CB 1.199 33.363 31.823 0.568 0.000 0.985 188 V HN 0.761 nan 8.190 nan 0.000 0.459 189 L N 5.197 126.519 121.223 0.166 0.000 2.272 189 L HA 0.513 4.867 4.340 0.024 0.000 0.289 189 L C 1.531 178.426 176.870 0.041 0.000 1.032 189 L CA -0.316 54.546 54.840 0.038 0.000 0.810 189 L CB 1.286 43.258 42.059 -0.144 0.000 1.205 189 L HN 0.612 nan 8.230 nan 0.000 0.422 190 R N 3.091 123.568 120.500 -0.039 0.000 2.073 190 R HA -0.074 4.280 4.340 0.024 0.000 0.234 190 R C -0.382 175.621 176.300 -0.495 0.000 1.134 190 R CA 1.396 57.238 56.100 -0.430 0.000 0.952 190 R CB 0.193 30.069 30.300 -0.707 0.000 0.850 190 R HN 0.559 nan 8.270 nan 0.000 0.433 191 W N 0.441 121.812 121.300 0.119 0.000 2.573 191 W HA 0.402 5.076 4.660 0.023 0.000 0.326 191 W C -0.312 176.327 176.519 0.199 0.000 1.049 191 W CA -0.870 56.550 57.345 0.126 0.000 1.220 191 W CB 1.705 31.237 29.460 0.120 0.000 1.373 191 W HN 0.023 nan 8.180 nan 0.000 0.507 192 S N -0.868 115.117 115.700 0.477 0.000 2.688 192 S HA 0.213 4.697 4.470 0.024 0.000 0.275 192 S C 0.223 175.078 174.600 0.424 0.000 1.175 192 S CA -0.414 58.076 58.200 0.484 0.000 0.818 192 S CB 1.243 64.705 63.200 0.437 0.000 1.157 192 S HN 0.636 nan 8.310 nan 0.000 0.482 193 D N 0.360 121.013 120.400 0.421 0.000 2.263 193 D HA 0.040 4.694 4.640 0.024 0.000 0.208 193 D C 1.765 178.391 176.300 0.543 0.000 0.971 193 D CA 1.344 55.642 54.000 0.497 0.000 0.867 193 D CB -0.727 40.219 40.800 0.242 0.000 0.929 193 D HN 0.695 nan 8.370 nan 0.000 0.492 194 G N 0.068 109.097 108.800 0.382 0.000 2.432 194 G HA2 -0.265 3.709 3.960 0.024 0.000 0.219 194 G HA3 -0.265 3.709 3.960 0.024 0.000 0.219 194 G C 1.706 176.805 174.900 0.330 0.000 1.135 194 G CA 0.762 46.062 45.100 0.333 0.000 0.767 194 G HN 0.337 nan 8.290 nan 0.000 0.550 195 S N 0.003 115.882 115.700 0.298 0.000 2.465 195 S HA -0.099 4.386 4.470 0.024 0.000 0.241 195 S C 1.856 176.567 174.600 0.186 0.000 1.000 195 S CA 0.749 59.093 58.200 0.240 0.000 0.964 195 S CB -0.361 62.998 63.200 0.264 0.000 0.763 195 S HN 0.533 nan 8.310 nan 0.000 0.512 196 Y N 1.096 121.538 120.300 0.236 0.000 2.373 196 Y HA 0.152 4.716 4.550 0.024 0.000 0.293 196 Y C 1.629 177.660 175.900 0.218 0.000 1.129 196 Y CA 0.558 58.730 58.100 0.121 0.000 1.226 196 Y CB -0.241 38.132 38.460 -0.145 0.000 1.000 196 Y HN 0.202 nan 8.280 nan 0.000 0.549 197 L N -0.453 120.979 121.223 0.349 0.000 2.628 197 L HA 0.140 4.495 4.340 0.024 0.000 0.229 197 L C 0.083 177.100 176.870 0.245 0.000 1.137 197 L CA 0.419 55.415 54.840 0.261 0.000 0.909 197 L CB 0.071 42.283 42.059 0.256 0.000 1.137 197 L HN 0.089 nan 8.230 nan 0.000 0.470 198 E N -0.168 120.191 120.200 0.265 0.000 3.646 198 E HA 0.040 4.404 4.350 0.024 0.000 0.211 198 E C -0.463 176.260 176.600 0.206 0.000 1.034 198 E CA -0.066 56.476 56.400 0.237 0.000 1.341 198 E CB 0.444 30.274 29.700 0.218 0.000 1.202 198 E HN 0.045 nan 8.360 nan 0.000 0.447 199 D N 1.199 121.685 120.400 0.143 0.000 2.690 199 D HA 0.019 4.673 4.640 0.024 0.000 0.236 199 D C -0.289 176.021 176.300 0.017 0.000 1.218 199 D CA -0.138 53.838 54.000 -0.040 0.000 0.829 199 D CB 0.109 40.666 40.800 -0.405 0.000 1.009 199 D HN 0.031 nan 8.370 nan 0.000 0.482 200 Q N 0.595 120.498 119.800 0.172 0.000 2.330 200 Q HA 0.104 4.458 4.340 0.024 0.000 0.279 200 Q C -0.210 175.912 176.000 0.203 0.000 1.024 200 Q CA 0.088 56.071 55.803 0.300 0.000 0.900 200 Q CB 0.669 29.743 28.738 0.560 0.000 1.221 200 Q HN 0.132 nan 8.270 nan 0.000 0.396 201 D N 3.761 124.290 120.400 0.215 0.000 2.398 201 D HA 0.197 4.851 4.640 0.024 0.000 0.250 201 D C -0.644 175.760 176.300 0.174 0.000 1.287 201 D CA 0.156 54.235 54.000 0.131 0.000 0.992 201 D CB -0.295 40.570 40.800 0.108 0.000 1.071 201 D HN 0.504 nan 8.370 nan 0.000 0.514 202 M N 0.832 120.514 119.600 0.137 0.000 3.196 202 M HA 0.350 4.844 4.480 0.024 0.000 0.279 202 M C -1.425 174.952 176.300 0.129 0.000 1.173 202 M CA -1.165 54.175 55.300 0.067 0.000 0.820 202 M CB 0.873 33.457 32.600 -0.025 0.000 1.621 202 M HN -0.025 nan 8.290 nan 0.000 0.521 203 W N 2.248 123.646 121.300 0.163 0.000 2.264 203 W HA 0.291 4.965 4.660 0.024 0.000 0.331 203 W C 0.261 176.805 176.519 0.040 0.000 1.364 203 W CA -0.021 57.397 57.345 0.122 0.000 1.253 203 W CB 0.306 29.789 29.460 0.039 0.000 1.215 203 W HN 0.272 nan 8.180 nan 0.000 0.561 204 R N 5.206 125.871 120.500 0.275 0.000 2.235 204 R HA 0.361 4.716 4.340 0.024 0.000 0.338 204 R C -0.027 176.287 176.300 0.023 0.000 1.087 204 R CA -0.108 56.088 56.100 0.160 0.000 0.948 204 R CB -0.077 30.390 30.300 0.278 0.000 1.099 204 R HN 0.551 nan 8.270 nan 0.000 0.483 205 M N 0.241 119.751 119.600 -0.150 0.000 2.826 205 M HA 0.519 5.013 4.480 0.024 0.000 0.288 205 M C 0.165 176.136 176.300 -0.547 0.000 1.141 205 M CA -0.811 54.280 55.300 -0.348 0.000 0.816 205 M CB 2.079 34.472 32.600 -0.346 0.000 1.704 205 M HN 0.618 nan 8.290 nan 0.000 0.497 206 S N -1.308 113.943 115.700 -0.748 0.000 2.636 206 S HA 0.880 5.364 4.470 0.024 0.000 0.266 206 S C -0.558 173.552 174.600 -0.815 0.000 1.147 206 S CA -0.198 57.481 58.200 -0.868 0.000 0.815 206 S CB 1.391 63.882 63.200 -1.181 0.000 1.119 206 S HN 1.566 nan 8.310 nan 0.000 0.470 207 G N 0.068 108.629 108.800 -0.399 0.000 2.566 207 G HA2 0.058 4.032 3.960 0.024 0.000 0.599 207 G HA3 0.058 4.032 3.960 0.024 0.000 0.599 207 G C -0.896 174.019 174.900 0.025 0.000 1.292 207 G CA -0.589 44.616 45.100 0.175 0.000 0.922 207 G HN 1.371 nan 8.290 nan 0.000 0.514 208 I N 1.764 122.147 120.570 -0.312 0.000 2.372 208 I HA 0.253 4.438 4.170 0.024 0.000 0.298 208 I C 1.305 177.279 176.117 -0.238 0.000 1.137 208 I CA 0.115 61.153 61.300 -0.438 0.000 1.314 208 I CB -0.354 37.125 38.000 -0.869 0.000 1.444 208 I HN 0.530 nan 8.210 nan 0.000 0.541 209 F N 4.771 124.558 119.950 -0.271 0.000 2.678 209 F HA 0.482 5.023 4.527 0.023 0.000 0.305 209 F C 0.637 176.343 175.800 -0.157 0.000 1.090 209 F CA -0.619 57.257 58.000 -0.207 0.000 1.272 209 F CB 0.011 38.898 39.000 -0.188 0.000 1.060 209 F HN 0.149 nan 8.300 nan 0.000 0.576 210 R N 0.280 120.349 120.500 -0.718 0.000 2.950 210 R HA 0.284 4.638 4.340 0.024 0.000 0.253 210 R C -0.881 175.199 176.300 -0.368 0.000 1.168 210 R CA -1.150 54.624 56.100 -0.543 0.000 1.014 210 R CB 0.646 30.518 30.300 -0.714 0.000 1.228 210 R HN -0.074 nan 8.270 nan 0.000 0.487 211 D N 0.897 121.123 120.400 -0.290 0.000 2.443 211 D HA 0.120 4.775 4.640 0.024 0.000 0.239 211 D C -0.541 175.611 176.300 -0.247 0.000 1.136 211 D CA 0.308 54.179 54.000 -0.214 0.000 0.879 211 D CB 0.811 41.526 40.800 -0.142 0.000 1.195 211 D HN 0.009 nan 8.370 nan 0.000 0.443 212 V N 1.526 121.296 119.914 -0.239 0.000 2.459 212 V HA 0.616 4.751 4.120 0.024 0.000 0.295 212 V C 0.211 176.178 176.094 -0.211 0.000 1.029 212 V CA -0.573 61.533 62.300 -0.323 0.000 0.874 212 V CB 1.480 33.124 31.823 -0.298 0.000 0.985 212 V HN 0.746 nan 8.190 nan 0.000 0.438 213 S N 4.254 119.811 115.700 -0.238 0.000 2.607 213 S HA 0.814 5.298 4.470 0.024 0.000 0.273 213 S C -1.294 173.250 174.600 -0.094 0.000 1.148 213 S CA -0.935 57.191 58.200 -0.124 0.000 0.833 213 S CB 1.743 64.909 63.200 -0.057 0.000 1.130 213 S HN 0.456 nan 8.310 nan 0.000 0.470 214 L N 1.546 122.774 121.223 0.008 0.000 2.313 214 L HA 0.640 4.995 4.340 0.024 0.000 0.283 214 L C -1.312 175.736 176.870 0.297 0.000 1.013 214 L CA -0.856 54.073 54.840 0.148 0.000 0.816 214 L CB 1.660 43.816 42.059 0.162 0.000 1.236 214 L HN 0.672 nan 8.230 nan 0.000 0.419 215 L N 3.773 125.149 121.223 0.255 0.000 2.333 215 L HA 0.444 4.798 4.340 0.024 0.000 0.280 215 L C -0.523 176.407 176.870 0.100 0.000 1.004 215 L CA -0.112 54.829 54.840 0.169 0.000 0.820 215 L CB 1.199 43.319 42.059 0.102 0.000 1.247 215 L HN 0.465 nan 8.230 nan 0.000 0.416 216 H N 5.488 124.394 119.070 -0.274 0.000 2.517 216 H HA 0.465 5.036 4.556 0.024 0.000 0.317 216 H C -1.227 173.907 175.328 -0.323 0.000 1.080 216 H CA -0.481 55.268 56.048 -0.497 0.000 1.301 216 H CB 1.068 30.024 29.762 -1.343 0.000 1.425 216 H HN 0.518 nan 8.280 nan 0.000 0.471 217 K N 5.734 125.784 120.400 -0.584 0.000 2.375 217 K HA 0.357 4.692 4.320 0.024 0.000 0.249 217 K C -2.752 173.614 176.600 -0.390 0.000 0.942 217 K CA -2.074 54.005 56.287 -0.345 0.000 0.806 217 K CB 2.219 34.583 32.500 -0.227 0.000 1.227 217 K HN 0.485 nan 8.250 nan 0.000 0.430 218 P HA 0.124 nan 4.420 nan 0.000 0.272 218 P C 0.517 177.750 177.300 -0.111 0.000 1.223 218 P CA -0.128 62.911 63.100 -0.102 0.000 0.784 218 P CB 0.511 32.185 31.700 -0.043 0.000 0.923 219 T N -0.524 113.987 114.554 -0.073 0.000 2.684 219 T HA -0.079 4.285 4.350 0.024 0.000 0.267 219 T C 0.595 175.256 174.700 -0.064 0.000 1.036 219 T CA 1.626 63.689 62.100 -0.062 0.000 1.148 219 T CB -0.784 68.064 68.868 -0.033 0.000 0.863 219 T HN 0.456 nan 8.240 nan 0.000 0.436 220 T N 3.781 118.303 114.554 -0.054 0.000 2.729 220 T HA 0.415 4.779 4.350 0.024 0.000 0.296 220 T C -0.157 174.500 174.700 -0.071 0.000 0.928 220 T CA -0.502 61.557 62.100 -0.067 0.000 1.045 220 T CB 0.388 69.228 68.868 -0.046 0.000 0.902 220 T HN 0.514 nan 8.240 nan 0.000 0.500 221 Q N 2.291 122.035 119.800 -0.094 0.000 2.418 221 Q HA 0.596 4.950 4.340 0.024 0.000 0.282 221 Q C -1.228 174.705 176.000 -0.112 0.000 1.044 221 Q CA -1.137 54.599 55.803 -0.113 0.000 0.813 221 Q CB 1.304 29.958 28.738 -0.140 0.000 1.428 221 Q HN 0.499 nan 8.270 nan 0.000 0.402 222 I N 2.717 123.196 120.570 -0.151 0.000 2.505 222 I HA -0.000 4.184 4.170 0.024 0.000 0.287 222 I C 0.903 176.895 176.117 -0.207 0.000 1.104 222 I CA 0.120 61.335 61.300 -0.142 0.000 1.387 222 I CB 0.848 38.727 38.000 -0.202 0.000 1.404 222 I HN 0.917 nan 8.210 nan 0.000 0.528 223 S N 2.708 118.397 115.700 -0.017 0.000 2.497 223 S HA 0.156 4.640 4.470 0.024 0.000 0.221 223 S C 0.229 175.013 174.600 0.307 0.000 1.037 223 S CA -0.142 58.113 58.200 0.093 0.000 0.920 223 S CB 0.314 63.542 63.200 0.047 0.000 0.800 223 S HN 0.715 nan 8.310 nan 0.000 0.505 224 D N -0.359 120.204 120.400 0.271 0.000 2.685 224 D HA 0.542 5.196 4.640 0.024 0.000 0.236 224 D C -1.837 174.570 176.300 0.178 0.000 1.233 224 D CA -0.721 53.415 54.000 0.226 0.000 0.760 224 D CB 1.712 42.538 40.800 0.042 0.000 1.410 224 D HN 0.224 nan 8.370 nan 0.000 0.439 225 F N -0.379 119.533 119.950 -0.064 0.000 2.628 225 F HA 0.632 5.173 4.527 0.024 0.000 0.309 225 F C -1.586 174.132 175.800 -0.137 0.000 1.108 225 F CA -0.797 57.100 58.000 -0.171 0.000 0.971 225 F CB 1.230 40.224 39.000 -0.009 0.000 1.279 225 F HN 0.258 nan 8.300 nan 0.000 0.441 226 H N 1.799 120.951 119.070 0.136 0.000 2.609 226 H HA 0.708 5.279 4.556 0.025 0.000 0.344 226 H C -1.243 174.140 175.328 0.091 0.000 1.040 226 H CA -1.436 54.631 56.048 0.031 0.000 1.216 226 H CB 2.373 32.126 29.762 -0.015 0.000 1.529 226 H HN 0.632 nan 8.280 nan 0.000 0.519 227 V N 2.562 122.586 119.914 0.184 0.000 2.398 227 V HA 0.618 4.753 4.120 0.024 0.000 0.286 227 V C 0.025 176.121 176.094 0.003 0.000 1.026 227 V CA -0.528 61.826 62.300 0.089 0.000 0.868 227 V CB 1.059 32.929 31.823 0.079 0.000 0.982 227 V HN 0.931 nan 8.190 nan 0.000 0.443 228 A N 3.652 126.450 122.820 -0.036 0.000 2.374 228 A HA 0.932 5.266 4.320 0.024 0.000 0.317 228 A C -0.021 177.463 177.584 -0.167 0.000 1.094 228 A CA -0.515 51.477 52.037 -0.075 0.000 0.765 228 A CB 1.755 20.731 19.000 -0.041 0.000 1.268 228 A HN 0.908 nan 8.150 nan 0.000 0.438 229 T N -0.212 114.221 114.554 -0.203 0.000 2.890 229 T HA 0.694 5.059 4.350 0.024 0.000 0.295 229 T C -0.494 173.972 174.700 -0.390 0.000 0.993 229 T CA -0.827 61.051 62.100 -0.370 0.000 0.979 229 T CB 0.875 69.418 68.868 -0.541 0.000 0.967 229 T HN 0.965 nan 8.240 nan 0.000 0.441 230 R N 1.855 122.054 120.500 -0.501 0.000 2.854 230 R HA 0.868 5.222 4.340 0.024 0.000 0.271 230 R C -1.583 174.350 176.300 -0.611 0.000 0.996 230 R CA -1.016 54.864 56.100 -0.366 0.000 0.961 230 R CB 1.349 31.576 30.300 -0.123 0.000 1.182 230 R HN 0.460 nan 8.270 nan 0.000 0.479 231 F N 0.306 120.238 119.950 -0.031 0.000 2.603 231 F HA 0.350 4.890 4.527 0.022 0.000 0.317 231 F C 0.190 175.849 175.800 -0.235 0.000 1.066 231 F CA -1.130 56.792 58.000 -0.130 0.000 0.941 231 F CB 1.405 40.258 39.000 -0.245 0.000 1.291 231 F HN 0.677 nan 8.300 nan 0.000 0.472 232 N N 0.039 118.715 118.700 -0.040 0.000 2.327 232 N HA 0.032 4.786 4.740 0.024 0.000 0.257 232 N C 0.514 175.873 175.510 -0.251 0.000 1.281 232 N CA -0.116 52.872 53.050 -0.104 0.000 0.942 232 N CB 0.115 38.575 38.487 -0.045 0.000 1.199 232 N HN 0.683 nan 8.380 nan 0.000 0.532 233 D N -1.538 118.769 120.400 -0.155 0.000 2.221 233 D HA -0.231 4.424 4.640 0.024 0.000 0.204 233 D C 0.405 176.630 176.300 -0.124 0.000 0.982 233 D CA 1.555 55.469 54.000 -0.144 0.000 0.857 233 D CB -0.415 40.360 40.800 -0.041 0.000 0.934 233 D HN 0.742 nan 8.370 nan 0.000 0.475 234 D N -1.854 118.511 120.400 -0.058 0.000 2.469 234 D HA 0.006 4.661 4.640 0.024 0.000 0.213 234 D C 0.239 176.737 176.300 0.330 0.000 1.135 234 D CA -0.719 53.374 54.000 0.155 0.000 0.834 234 D CB -0.743 40.132 40.800 0.124 0.000 1.009 234 D HN 0.205 nan 8.370 nan 0.000 0.507 235 F N 0.432 120.439 119.950 0.094 0.000 2.884 235 F HA -0.270 4.271 4.527 0.023 0.000 0.294 235 F C 1.555 177.433 175.800 0.129 0.000 0.723 235 F CA 0.718 58.788 58.000 0.115 0.000 1.294 235 F CB -2.498 36.472 39.000 -0.050 0.000 1.551 235 F HN 0.158 nan 8.300 nan 0.000 0.363 236 S N -1.125 114.694 115.700 0.198 0.000 2.528 236 S HA 0.272 4.756 4.470 0.024 0.000 0.219 236 S C 0.645 175.300 174.600 0.093 0.000 0.985 236 S CA 0.064 58.341 58.200 0.129 0.000 0.914 236 S CB 0.349 63.602 63.200 0.087 0.000 0.776 236 S HN 0.457 nan 8.310 nan 0.000 0.526 237 R N 0.301 120.864 120.500 0.105 0.000 2.621 237 R HA 0.796 5.150 4.340 0.024 0.000 0.284 237 R C -1.271 175.075 176.300 0.076 0.000 0.998 237 R CA -0.270 55.862 56.100 0.052 0.000 0.895 237 R CB 2.243 32.551 30.300 0.013 0.000 1.195 237 R HN 0.256 nan 8.270 nan 0.000 0.450 238 A N 1.767 124.581 122.820 -0.010 0.000 2.515 238 A HA 0.731 5.065 4.320 0.024 0.000 0.296 238 A C -1.274 176.242 177.584 -0.114 0.000 1.094 238 A CA -0.681 51.280 52.037 -0.128 0.000 0.718 238 A CB 2.040 20.981 19.000 -0.098 0.000 1.307 238 A HN 0.366 nan 8.150 nan 0.000 0.408 239 V N 1.970 121.779 119.914 -0.175 0.000 2.376 239 V HA 0.330 4.465 4.120 0.024 0.000 0.287 239 V C -0.377 175.650 176.094 -0.112 0.000 1.015 239 V CA -0.261 61.976 62.300 -0.105 0.000 0.834 239 V CB 1.178 32.942 31.823 -0.098 0.000 1.001 239 V HN 0.789 nan 8.190 nan 0.000 0.428 240 L N 4.778 125.980 121.223 -0.035 0.000 2.369 240 L HA 0.449 4.804 4.340 0.024 0.000 0.279 240 L C 0.272 177.100 176.870 -0.069 0.000 1.108 240 L CA 0.357 55.144 54.840 -0.088 0.000 0.852 240 L CB 0.628 42.666 42.059 -0.034 0.000 1.169 240 L HN 0.741 nan 8.230 nan 0.000 0.452 241 E N 4.340 124.494 120.200 -0.078 0.000 2.158 241 E HA 0.640 5.004 4.350 0.024 0.000 0.271 241 E C -1.320 175.271 176.600 -0.016 0.000 0.911 241 E CA -0.776 55.598 56.400 -0.044 0.000 0.767 241 E CB 1.573 31.248 29.700 -0.042 0.000 1.120 241 E HN 0.697 nan 8.360 nan 0.000 0.405 242 A N 4.783 127.601 122.820 -0.003 0.000 2.363 242 A HA 0.256 4.590 4.320 0.024 0.000 0.296 242 A C -0.605 176.993 177.584 0.023 0.000 1.237 242 A CA -0.635 51.421 52.037 0.031 0.000 0.773 242 A CB 0.922 19.936 19.000 0.023 0.000 1.153 242 A HN 0.723 nan 8.150 nan 0.000 0.473 243 E N 2.300 122.526 120.200 0.043 0.000 2.229 243 E HA 0.493 4.857 4.350 0.024 0.000 0.283 243 E C -1.165 175.433 176.600 -0.004 0.000 1.030 243 E CA -0.196 56.209 56.400 0.007 0.000 0.836 243 E CB 0.949 30.657 29.700 0.013 0.000 1.068 243 E HN 0.388 nan 8.360 nan 0.000 0.401 244 V N 5.086 125.001 119.914 0.002 0.000 2.588 244 V HA 0.268 4.402 4.120 0.024 0.000 0.304 244 V C -0.501 175.663 176.094 0.115 0.000 1.042 244 V CA -0.855 61.479 62.300 0.056 0.000 0.877 244 V CB 1.704 33.538 31.823 0.017 0.000 0.996 244 V HN 0.698 nan 8.190 nan 0.000 0.425 245 Q N 4.520 124.383 119.800 0.106 0.000 2.345 245 Q HA 0.846 5.201 4.340 0.024 0.000 0.268 245 Q C -0.866 175.191 176.000 0.095 0.000 1.054 245 Q CA -0.933 54.927 55.803 0.095 0.000 0.835 245 Q CB 2.833 31.559 28.738 -0.020 0.000 1.339 245 Q HN 0.812 nan 8.270 nan 0.000 0.447 246 M N -0.782 118.807 119.600 -0.017 0.000 2.644 246 M HA 0.764 5.258 4.480 0.024 0.000 0.304 246 M C -1.362 174.843 176.300 -0.160 0.000 1.215 246 M CA -0.363 54.851 55.300 -0.143 0.000 0.871 246 M CB 1.737 34.081 32.600 -0.428 0.000 1.740 246 M HN 0.588 nan 8.290 nan 0.000 0.464 247 C N 0.619 119.837 119.300 -0.136 0.000 2.771 247 C HA 1.037 5.511 4.460 0.024 0.000 0.333 247 C C 0.713 175.625 174.990 -0.130 0.000 1.267 247 C CA 0.464 59.414 59.018 -0.113 0.000 1.721 247 C CB 1.127 28.829 27.740 -0.063 0.000 2.222 247 C HN 1.447 nan 8.230 nan 0.000 0.485 248 G N 1.100 109.838 108.800 -0.104 0.000 2.685 248 G HA2 -0.062 3.913 3.960 0.024 0.000 0.387 248 G HA3 -0.062 3.913 3.960 0.024 0.000 0.387 248 G C -0.766 174.064 174.900 -0.117 0.000 1.324 248 G CA -0.285 44.757 45.100 -0.095 0.000 0.878 248 G HN 1.013 nan 8.290 nan 0.000 0.527 249 E N -0.221 119.919 120.200 -0.099 0.000 2.299 249 E HA 0.361 4.725 4.350 0.024 0.000 0.272 249 E C 0.829 177.330 176.600 -0.165 0.000 1.043 249 E CA -0.457 55.878 56.400 -0.107 0.000 0.895 249 E CB 0.143 29.800 29.700 -0.072 0.000 1.011 249 E HN 0.481 nan 8.360 nan 0.000 0.432 250 L N 4.852 125.966 121.223 -0.181 0.000 2.485 250 L HA 0.178 4.532 4.340 0.024 0.000 0.275 250 L C 0.566 177.300 176.870 -0.227 0.000 1.207 250 L CA 0.304 55.009 54.840 -0.224 0.000 0.855 250 L CB 0.288 42.240 42.059 -0.179 0.000 1.114 250 L HN 0.499 nan 8.230 nan 0.000 0.485 251 R N 1.487 121.808 120.500 -0.299 0.000 2.626 251 R HA 0.172 4.526 4.340 0.024 0.000 0.274 251 R C -0.131 175.959 176.300 -0.350 0.000 1.031 251 R CA -0.714 55.123 56.100 -0.438 0.000 0.898 251 R CB 1.608 31.328 30.300 -0.967 0.000 1.222 251 R HN 0.559 nan 8.270 nan 0.000 0.455 252 D N 1.131 121.390 120.400 -0.236 0.000 2.218 252 D HA -0.146 4.508 4.640 0.024 0.000 0.204 252 D C 1.389 177.665 176.300 -0.040 0.000 0.976 252 D CA 1.567 55.514 54.000 -0.088 0.000 0.853 252 D CB 0.276 41.066 40.800 -0.017 0.000 0.939 252 D HN 0.554 nan 8.370 nan 0.000 0.481 253 Y N 0.196 120.502 120.300 0.010 0.000 2.546 253 Y HA 0.258 4.823 4.550 0.024 0.000 0.287 253 Y C 0.855 176.745 175.900 -0.016 0.000 1.158 253 Y CA -0.443 57.656 58.100 -0.001 0.000 1.307 253 Y CB -0.842 37.619 38.460 0.001 0.000 1.036 253 Y HN -0.212 nan 8.280 nan 0.000 0.532 254 L N 2.741 123.913 121.223 -0.086 0.000 2.461 254 L HA 0.273 4.628 4.340 0.024 0.000 0.272 254 L C 0.212 177.068 176.870 -0.024 0.000 1.197 254 L CA 0.040 54.886 54.840 0.010 0.000 0.836 254 L CB 0.419 42.496 42.059 0.030 0.000 1.105 254 L HN 0.171 nan 8.230 nan 0.000 0.477 255 R N 1.917 122.304 120.500 -0.187 0.000 2.740 255 R HA 0.655 5.009 4.340 0.024 0.000 0.273 255 R C -1.565 174.479 176.300 -0.425 0.000 0.998 255 R CA -0.797 55.057 56.100 -0.409 0.000 0.900 255 R CB 2.224 32.106 30.300 -0.696 0.000 1.223 255 R HN 0.265 nan 8.270 nan 0.000 0.466 256 V N 1.348 121.050 119.914 -0.354 0.000 2.531 256 V HA 0.421 4.556 4.120 0.024 0.000 0.301 256 V C -0.395 175.678 176.094 -0.036 0.000 1.034 256 V CA -0.564 61.617 62.300 -0.197 0.000 0.865 256 V CB 2.211 33.813 31.823 -0.369 0.000 0.995 256 V HN 0.713 nan 8.190 nan 0.000 0.424 257 T N 4.517 119.139 114.554 0.115 0.000 2.770 257 T HA 0.538 4.902 4.350 0.024 0.000 0.283 257 T C -0.377 174.326 174.700 0.005 0.000 0.988 257 T CA -0.344 61.800 62.100 0.074 0.000 0.957 257 T CB 1.473 70.395 68.868 0.089 0.000 0.930 257 T HN 0.318 nan 8.240 nan 0.000 0.443 258 V N 4.299 124.200 119.914 -0.022 0.000 2.370 258 V HA 0.641 4.775 4.120 0.024 0.000 0.283 258 V C 0.167 176.257 176.094 -0.006 0.000 1.023 258 V CA -0.650 61.634 62.300 -0.027 0.000 0.857 258 V CB 1.370 33.164 31.823 -0.048 0.000 0.985 258 V HN 1.044 nan 8.190 nan 0.000 0.443 259 S N 5.606 121.330 115.700 0.039 0.000 2.542 259 S HA 0.848 5.332 4.470 0.024 0.000 0.293 259 S C -1.174 173.470 174.600 0.073 0.000 1.089 259 S CA -0.788 57.424 58.200 0.021 0.000 0.961 259 S CB 2.153 65.395 63.200 0.071 0.000 1.062 259 S HN 0.482 nan 8.310 nan 0.000 0.483 260 L N 2.319 123.488 121.223 -0.090 0.000 2.341 260 L HA 0.795 5.150 4.340 0.024 0.000 0.278 260 L C -1.902 174.904 176.870 -0.106 0.000 1.005 260 L CA -0.400 54.468 54.840 0.046 0.000 0.818 260 L CB 0.960 43.058 42.059 0.066 0.000 1.259 260 L HN 0.907 nan 8.230 nan 0.000 0.418 261 W N 3.547 124.946 121.300 0.165 0.000 2.761 261 W HA 0.600 5.274 4.660 0.024 0.000 0.340 261 W C -0.493 176.112 176.519 0.144 0.000 1.072 261 W CA -0.469 56.948 57.345 0.119 0.000 1.215 261 W CB 1.398 30.880 29.460 0.037 0.000 1.420 261 W HN 0.415 nan 8.180 nan 0.000 0.519 262 Q N 2.689 122.638 119.800 0.248 0.000 2.674 262 Q HA 0.459 4.813 4.340 0.024 0.000 0.249 262 Q C 0.629 176.640 176.000 0.019 0.000 1.011 262 Q CA 0.506 56.285 55.803 -0.041 0.000 0.734 262 Q CB 0.487 29.114 28.738 -0.184 0.000 1.201 262 Q HN 0.810 nan 8.270 nan 0.000 0.498 263 G N 2.860 111.682 108.800 0.037 0.000 2.556 263 G HA2 -0.338 3.637 3.960 0.024 0.000 0.283 263 G HA3 -0.338 3.637 3.960 0.024 0.000 0.283 263 G C 0.527 175.501 174.900 0.122 0.000 1.177 263 G CA 0.320 45.445 45.100 0.042 0.000 0.978 263 G HN 0.598 nan 8.290 nan 0.000 0.554 264 E N 1.080 121.344 120.200 0.107 0.000 2.285 264 E HA 0.056 4.420 4.350 0.024 0.000 0.194 264 E C 1.350 178.146 176.600 0.327 0.000 0.997 264 E CA 1.152 57.646 56.400 0.156 0.000 0.845 264 E CB -0.269 29.478 29.700 0.079 0.000 0.782 264 E HN 0.501 nan 8.360 nan 0.000 0.491 265 T N 1.976 116.667 114.554 0.229 0.000 2.851 265 T HA 0.067 4.431 4.350 0.024 0.000 0.298 265 T C 0.307 175.043 174.700 0.060 0.000 0.977 265 T CA -0.103 62.080 62.100 0.137 0.000 1.126 265 T CB 1.323 70.219 68.868 0.048 0.000 0.916 265 T HN -0.019 nan 8.240 nan 0.000 0.529 266 Q N 3.170 122.796 119.800 -0.289 0.000 2.361 266 Q HA 0.229 4.583 4.340 0.024 0.000 0.250 266 Q C 1.099 176.845 176.000 -0.424 0.000 1.023 266 Q CA -0.502 54.788 55.803 -0.856 0.000 0.915 266 Q CB 0.632 28.627 28.738 -1.239 0.000 1.238 266 Q HN 0.740 nan 8.270 nan 0.000 0.451 267 V N 1.252 120.997 119.914 -0.282 0.000 2.788 267 V HA 0.391 4.525 4.120 0.024 0.000 0.251 267 V C 0.508 176.510 176.094 -0.154 0.000 1.068 267 V CA 1.003 63.228 62.300 -0.124 0.000 1.090 267 V CB -0.360 31.485 31.823 0.038 0.000 0.710 267 V HN 0.624 nan 8.190 nan 0.000 0.467 268 A N -0.974 121.717 122.820 -0.216 0.000 2.601 268 A HA 0.787 5.122 4.320 0.024 0.000 0.291 268 A C -0.664 176.799 177.584 -0.202 0.000 1.075 268 A CA 0.228 52.163 52.037 -0.171 0.000 0.671 268 A CB 1.437 20.374 19.000 -0.104 0.000 1.277 268 A HN 0.790 nan 8.150 nan 0.000 0.417 269 S N -0.752 114.863 115.700 -0.143 0.000 2.535 269 S HA 0.765 5.249 4.470 0.024 0.000 0.272 269 S C -0.634 173.924 174.600 -0.070 0.000 1.149 269 S CA 0.272 58.405 58.200 -0.112 0.000 0.888 269 S CB 1.540 64.661 63.200 -0.131 0.000 1.110 269 S HN 2.373 nan 8.310 nan 0.000 0.463 270 G N 2.089 110.860 108.800 -0.048 0.000 2.731 270 G HA2 0.615 4.589 3.960 0.024 0.000 0.298 270 G HA3 0.615 4.589 3.960 0.024 0.000 0.298 270 G C -1.277 173.607 174.900 -0.027 0.000 1.424 270 G CA -0.436 44.640 45.100 -0.039 0.000 1.029 270 G HN 0.712 nan 8.290 nan 0.000 0.518 271 T N 0.166 114.708 114.554 -0.019 0.000 2.863 271 T HA 0.855 5.219 4.350 0.024 0.000 0.285 271 T C -0.225 174.447 174.700 -0.046 0.000 1.009 271 T CA -0.185 61.911 62.100 -0.007 0.000 0.989 271 T CB 1.864 70.764 68.868 0.052 0.000 1.004 271 T HN 1.478 nan 8.240 nan 0.000 0.455 272 A N 3.614 126.378 122.820 -0.094 0.000 2.589 272 A HA 0.885 5.219 4.320 0.024 0.000 0.296 272 A C -3.024 174.442 177.584 -0.196 0.000 1.062 272 A CA -1.575 50.391 52.037 -0.119 0.000 0.686 272 A CB 1.318 20.247 19.000 -0.117 0.000 1.282 272 A HN 0.545 nan 8.150 nan 0.000 0.404 273 P HA 0.540 nan 4.420 nan 0.000 0.279 273 P C -0.477 176.706 177.300 -0.195 0.000 1.282 273 P CA -0.290 62.717 63.100 -0.154 0.000 0.788 273 P CB 0.361 32.034 31.700 -0.046 0.000 1.139 274 F N -0.749 119.166 119.950 -0.058 0.000 2.440 274 F HA 0.474 5.015 4.527 0.023 0.000 0.323 274 F C 1.469 177.255 175.800 -0.023 0.000 1.192 274 F CA 1.485 59.461 58.000 -0.041 0.000 1.252 274 F CB -0.057 38.912 39.000 -0.051 0.000 1.214 274 F HN 0.611 nan 8.300 nan 0.000 0.578 275 G N 1.069 110.008 108.800 0.232 0.000 3.199 275 G HA2 0.334 4.308 3.960 0.024 0.000 0.680 275 G HA3 0.334 4.308 3.960 0.024 0.000 0.680 275 G C -0.404 174.555 174.900 0.098 0.000 1.197 275 G CA -0.764 44.416 45.100 0.133 0.000 1.143 275 G HN 1.045 nan 8.290 nan 0.000 0.492 276 G N 0.790 109.666 108.800 0.128 0.000 2.580 276 G HA2 0.721 4.695 3.960 0.024 0.000 0.278 276 G HA3 0.721 4.695 3.960 0.024 0.000 0.278 276 G C 0.506 175.452 174.900 0.078 0.000 1.212 276 G CA 0.062 45.227 45.100 0.108 0.000 0.939 276 G HN 1.230 nan 8.290 nan 0.000 0.513 277 E N -0.915 119.323 120.200 0.063 0.000 2.425 277 E HA 0.122 4.487 4.350 0.024 0.000 0.258 277 E C -0.249 176.376 176.600 0.042 0.000 1.151 277 E CA -0.478 55.947 56.400 0.042 0.000 0.958 277 E CB 0.796 30.515 29.700 0.032 0.000 0.968 277 E HN 0.293 nan 8.360 nan 0.000 0.451 278 I N 2.268 122.851 120.570 0.021 0.000 2.581 278 I HA -0.119 4.066 4.170 0.024 0.000 0.285 278 I C 0.900 177.023 176.117 0.011 0.000 1.129 278 I CA -0.078 61.226 61.300 0.007 0.000 1.397 278 I CB 0.234 38.233 38.000 -0.001 0.000 1.399 278 I HN 0.614 nan 8.210 nan 0.000 0.537 279 I N 4.784 125.354 120.570 -0.001 0.000 2.556 279 I HA 0.001 4.185 4.170 0.024 0.000 0.251 279 I C 0.705 176.816 176.117 -0.009 0.000 1.105 279 I CA 1.257 62.561 61.300 0.007 0.000 1.436 279 I CB -0.765 37.237 38.000 0.004 0.000 1.139 279 I HN 0.686 nan 8.210 nan 0.000 0.438 280 D N -1.840 118.541 120.400 -0.032 0.000 2.921 280 D HA 0.125 4.779 4.640 0.024 0.000 0.329 280 D C 0.402 176.683 176.300 -0.031 0.000 1.293 280 D CA -0.454 53.529 54.000 -0.027 0.000 0.964 280 D CB 0.384 41.166 40.800 -0.030 0.000 1.435 280 D HN -0.248 nan 8.370 nan 0.000 0.548 281 E N -1.009 119.175 120.200 -0.026 0.000 2.273 281 E HA -0.090 4.274 4.350 0.024 0.000 0.198 281 E C 1.142 177.723 176.600 -0.032 0.000 1.002 281 E CA 0.998 57.383 56.400 -0.024 0.000 0.828 281 E CB -0.061 29.628 29.700 -0.019 0.000 0.747 281 E HN 0.197 nan 8.360 nan 0.000 0.491 282 R N -0.158 120.314 120.500 -0.046 0.000 2.388 282 R HA 0.288 4.643 4.340 0.024 0.000 0.247 282 R C 0.796 177.055 176.300 -0.068 0.000 0.931 282 R CA 0.635 56.702 56.100 -0.056 0.000 1.082 282 R CB 0.333 30.594 30.300 -0.066 0.000 1.135 282 R HN 0.218 nan 8.270 nan 0.000 0.525 283 G N -0.422 108.341 108.800 -0.061 0.000 2.475 283 G HA2 -0.177 3.798 3.960 0.024 0.000 0.223 283 G HA3 -0.177 3.798 3.960 0.024 0.000 0.223 283 G C -0.070 174.782 174.900 -0.080 0.000 1.201 283 G CA -0.573 44.492 45.100 -0.058 0.000 0.962 283 G HN 0.536 nan 8.290 nan 0.000 0.586 284 G N -2.268 106.481 108.800 -0.084 0.000 2.921 284 G HA2 0.640 4.614 3.960 0.024 0.000 0.291 284 G HA3 0.640 4.614 3.960 0.024 0.000 0.291 284 G C -1.435 173.382 174.900 -0.138 0.000 1.370 284 G CA -0.582 44.462 45.100 -0.094 0.000 0.847 284 G HN 0.838 nan 8.290 nan 0.000 0.532 285 Y N 1.405 121.719 120.300 0.023 0.000 2.624 285 Y HA 0.380 4.944 4.550 0.023 0.000 0.354 285 Y C 1.615 177.539 175.900 0.041 0.000 1.051 285 Y CA 0.368 58.485 58.100 0.029 0.000 1.377 285 Y CB 1.279 39.763 38.460 0.041 0.000 1.168 285 Y HN 0.557 nan 8.280 nan 0.000 0.525 286 A N 2.111 125.006 122.820 0.125 0.000 1.969 286 A HA -0.180 4.155 4.320 0.024 0.000 0.218 286 A C 1.702 179.348 177.584 0.103 0.000 1.169 286 A CA 1.626 53.717 52.037 0.091 0.000 0.635 286 A CB -0.283 18.731 19.000 0.024 0.000 0.810 286 A HN 0.793 nan 8.150 nan 0.000 0.445 287 D N -0.944 119.512 120.400 0.093 0.000 2.319 287 D HA 0.068 4.722 4.640 0.024 0.000 0.230 287 D C 0.661 177.020 176.300 0.099 0.000 1.094 287 D CA 0.060 54.032 54.000 -0.046 0.000 0.856 287 D CB -0.057 40.707 40.800 -0.059 0.000 0.915 287 D HN 0.402 nan 8.370 nan 0.000 0.517 288 R N -0.780 119.904 120.500 0.305 0.000 2.912 288 R HA 0.747 5.101 4.340 0.024 0.000 0.262 288 R C -1.446 175.040 176.300 0.310 0.000 1.057 288 R CA -1.136 55.156 56.100 0.320 0.000 0.981 288 R CB 3.005 33.362 30.300 0.095 0.000 1.201 288 R HN -0.025 nan 8.270 nan 0.000 0.484 289 V N 0.145 120.122 119.914 0.104 0.000 3.000 289 V HA 0.452 4.586 4.120 0.024 0.000 0.300 289 V C -1.660 174.395 176.094 -0.065 0.000 1.251 289 V CA -0.286 61.976 62.300 -0.064 0.000 0.972 289 V CB 2.725 34.339 31.823 -0.349 0.000 1.065 289 V HN 0.806 nan 8.190 nan 0.000 0.431 290 T N 7.448 121.971 114.554 -0.053 0.000 2.815 290 T HA 0.579 4.943 4.350 0.024 0.000 0.289 290 T C -0.920 173.749 174.700 -0.052 0.000 1.000 290 T CA -0.415 61.662 62.100 -0.039 0.000 0.958 290 T CB 1.023 69.884 68.868 -0.012 0.000 0.944 290 T HN 0.473 nan 8.240 nan 0.000 0.442 291 L N 3.595 124.785 121.223 -0.055 0.000 2.307 291 L HA 0.570 4.924 4.340 0.024 0.000 0.282 291 L C 0.536 177.382 176.870 -0.041 0.000 1.051 291 L CA -0.368 54.439 54.840 -0.054 0.000 0.804 291 L CB 1.158 43.180 42.059 -0.062 0.000 1.197 291 L HN 0.519 nan 8.230 nan 0.000 0.431 292 R N 3.679 124.154 120.500 -0.040 0.000 2.494 292 R HA 0.779 5.134 4.340 0.024 0.000 0.305 292 R C -1.140 175.136 176.300 -0.040 0.000 0.959 292 R CA -0.671 55.405 56.100 -0.039 0.000 0.864 292 R CB 2.130 32.408 30.300 -0.037 0.000 1.159 292 R HN 0.468 nan 8.270 nan 0.000 0.446 293 L N 2.440 123.640 121.223 -0.038 0.000 2.381 293 L HA 0.434 4.788 4.340 0.024 0.000 0.274 293 L C -0.632 176.215 176.870 -0.038 0.000 0.988 293 L CA -0.890 53.928 54.840 -0.038 0.000 0.824 293 L CB 2.258 44.299 42.059 -0.031 0.000 1.263 293 L HN 0.552 nan 8.230 nan 0.000 0.410 294 N N 1.478 120.150 118.700 -0.047 0.000 2.488 294 N HA 0.417 5.171 4.740 0.024 0.000 0.274 294 N C -1.063 174.404 175.510 -0.071 0.000 1.111 294 N CA -0.255 52.763 53.050 -0.053 0.000 0.974 294 N CB 1.649 40.106 38.487 -0.049 0.000 1.089 294 N HN 0.198 nan 8.380 nan 0.000 0.465 295 V N 2.472 122.330 119.914 -0.093 0.000 2.376 295 V HA 0.221 4.356 4.120 0.024 0.000 0.287 295 V C -0.365 175.649 176.094 -0.133 0.000 1.015 295 V CA -0.849 61.354 62.300 -0.162 0.000 0.834 295 V CB 1.276 32.889 31.823 -0.351 0.000 1.001 295 V HN 0.582 nan 8.190 nan 0.000 0.428 296 E N 4.022 124.166 120.200 -0.092 0.000 2.259 296 E HA 0.273 4.638 4.350 0.024 0.000 0.281 296 E C 0.039 176.611 176.600 -0.046 0.000 1.027 296 E CA -0.360 56.009 56.400 -0.051 0.000 0.838 296 E CB 0.577 30.258 29.700 -0.032 0.000 1.066 296 E HN 0.634 nan 8.360 nan 0.000 0.401 297 N N 1.962 120.654 118.700 -0.013 0.000 2.669 297 N HA -0.119 4.635 4.740 0.024 0.000 0.266 297 N C -2.357 173.146 175.510 -0.012 0.000 1.024 297 N CA 0.395 53.452 53.050 0.013 0.000 0.766 297 N CB -1.118 37.382 38.487 0.022 0.000 0.898 297 N HN 0.356 nan 8.380 nan 0.000 0.548 298 P HA 0.059 nan 4.420 nan 0.000 0.271 298 P C 0.007 177.331 177.300 0.040 0.000 1.216 298 P CA 0.188 63.164 63.100 -0.205 0.000 0.771 298 P CB 0.764 32.120 31.700 -0.573 0.000 0.864 299 K N 2.848 123.372 120.400 0.207 0.000 2.378 299 K HA 0.218 4.552 4.320 0.024 0.000 0.288 299 K C 0.183 176.953 176.600 0.283 0.000 1.057 299 K CA -0.177 56.232 56.287 0.204 0.000 0.971 299 K CB -0.112 32.475 32.500 0.144 0.000 0.975 299 K HN 0.420 nan 8.250 nan 0.000 0.475 300 L N 3.017 124.328 121.223 0.147 0.000 2.350 300 L HA 0.279 4.634 4.340 0.024 0.000 0.275 300 L C -0.060 176.871 176.870 0.102 0.000 1.099 300 L CA -0.754 54.167 54.840 0.135 0.000 0.808 300 L CB 0.481 42.486 42.059 -0.091 0.000 1.149 300 L HN 0.603 nan 8.230 nan 0.000 0.442 301 W N 3.802 125.122 121.300 0.034 0.000 2.315 301 W HA 0.458 5.132 4.660 0.023 0.000 0.316 301 W C 0.067 176.509 176.519 -0.129 0.000 1.211 301 W CA 0.166 57.511 57.345 -0.001 0.000 1.201 301 W CB 1.136 30.652 29.460 0.094 0.000 1.184 301 W HN 0.612 nan 8.180 nan 0.000 0.544 302 S N 3.085 118.199 115.700 -0.976 0.000 2.625 302 S HA 0.646 5.130 4.470 0.024 0.000 0.271 302 S C 0.212 173.979 174.600 -1.388 0.000 1.161 302 S CA -0.412 57.200 58.200 -0.981 0.000 0.820 302 S CB 1.175 64.028 63.200 -0.578 0.000 1.137 302 S HN 0.955 nan 8.310 nan 0.000 0.470 303 A N 0.665 122.823 122.820 -1.104 0.000 1.972 303 A HA -0.023 4.311 4.320 0.024 0.000 0.219 303 A C 1.819 179.070 177.584 -0.554 0.000 1.169 303 A CA 1.623 53.093 52.037 -0.945 0.000 0.635 303 A CB -1.021 17.289 19.000 -1.151 0.000 0.810 303 A HN 0.876 nan 8.150 nan 0.000 0.446 304 E N -0.618 119.383 120.200 -0.331 0.000 2.047 304 E HA -0.031 4.333 4.350 0.024 0.000 0.191 304 E C -0.139 176.307 176.600 -0.257 0.000 0.987 304 E CA 0.818 57.088 56.400 -0.217 0.000 0.799 304 E CB -0.109 29.616 29.700 0.042 0.000 0.752 304 E HN 0.636 nan 8.360 nan 0.000 0.449 305 I N 1.871 122.260 120.570 -0.302 0.000 2.542 305 I HA 0.153 4.338 4.170 0.024 0.000 0.278 305 I C -2.442 173.437 176.117 -0.396 0.000 1.069 305 I CA -2.017 59.128 61.300 -0.259 0.000 1.100 305 I CB 2.229 40.135 38.000 -0.157 0.000 1.204 305 I HN -0.196 nan 8.210 nan 0.000 0.470 306 P HA 0.059 nan 4.420 nan 0.000 0.228 306 P C -0.534 176.767 177.300 0.001 0.000 1.748 306 P CA -0.301 62.539 63.100 -0.433 0.000 0.909 306 P CB -0.334 31.260 31.700 -0.177 0.000 1.882 307 N N 1.419 120.124 118.700 0.009 0.000 2.301 307 N HA 0.003 4.757 4.740 0.024 0.000 0.267 307 N C 0.007 175.727 175.510 0.349 0.000 1.304 307 N CA 0.801 53.933 53.050 0.137 0.000 0.851 307 N CB 0.381 38.944 38.487 0.128 0.000 1.070 307 N HN 0.333 nan 8.380 nan 0.000 0.483 308 L N 3.026 124.377 121.223 0.212 0.000 2.408 308 L HA 0.414 4.769 4.340 0.024 0.000 0.268 308 L C -0.625 176.324 176.870 0.132 0.000 0.986 308 L CA -0.832 54.171 54.840 0.271 0.000 0.820 308 L CB 1.173 43.359 42.059 0.212 0.000 1.303 308 L HN 0.385 nan 8.230 nan 0.000 0.411 309 Y N 1.195 121.641 120.300 0.243 0.000 2.545 309 Y HA 0.647 5.212 4.550 0.025 0.000 0.324 309 Y C 0.041 176.052 175.900 0.184 0.000 1.220 309 Y CA -0.722 57.522 58.100 0.239 0.000 1.290 309 Y CB 1.309 39.984 38.460 0.358 0.000 1.355 309 Y HN 0.395 nan 8.280 nan 0.000 0.516 310 R N 0.893 121.610 120.500 0.363 0.000 2.476 310 R HA 0.762 5.117 4.340 0.024 0.000 0.305 310 R C -1.698 174.773 176.300 0.286 0.000 0.965 310 R CA -0.518 55.727 56.100 0.242 0.000 0.867 310 R CB 1.065 31.447 30.300 0.135 0.000 1.176 310 R HN 0.737 nan 8.270 nan 0.000 0.447 311 A N 4.002 126.939 122.820 0.194 0.000 2.276 311 A HA 0.607 4.942 4.320 0.024 0.000 0.316 311 A C -0.881 176.753 177.584 0.082 0.000 1.229 311 A CA -0.608 51.523 52.037 0.157 0.000 0.851 311 A CB 1.056 20.115 19.000 0.099 0.000 1.165 311 A HN 0.480 nan 8.150 nan 0.000 0.513 312 V N 3.036 123.009 119.914 0.099 0.000 2.459 312 V HA 0.457 4.592 4.120 0.024 0.000 0.295 312 V C -0.293 175.769 176.094 -0.052 0.000 1.029 312 V CA -0.543 61.755 62.300 -0.003 0.000 0.874 312 V CB 1.571 33.398 31.823 0.007 0.000 0.985 312 V HN 0.595 nan 8.190 nan 0.000 0.438 313 V N 4.122 123.944 119.914 -0.153 0.000 2.326 313 V HA 0.416 4.551 4.120 0.024 0.000 0.281 313 V C -0.180 175.850 176.094 -0.108 0.000 1.015 313 V CA -0.605 61.579 62.300 -0.192 0.000 0.823 313 V CB 1.080 32.637 31.823 -0.444 0.000 1.009 313 V HN 0.951 nan 8.190 nan 0.000 0.436 314 E N 4.027 124.211 120.200 -0.027 0.000 2.134 314 E HA 0.485 4.849 4.350 0.024 0.000 0.278 314 E C -0.820 175.863 176.600 0.138 0.000 0.959 314 E CA -0.783 55.642 56.400 0.042 0.000 0.783 314 E CB 2.372 32.085 29.700 0.022 0.000 1.095 314 E HN 0.523 nan 8.360 nan 0.000 0.399 315 L N 4.781 126.069 121.223 0.108 0.000 2.265 315 L HA 0.372 4.726 4.340 0.024 0.000 0.288 315 L C -0.798 176.191 176.870 0.198 0.000 1.058 315 L CA 0.236 55.154 54.840 0.130 0.000 0.809 315 L CB -0.064 42.050 42.059 0.091 0.000 1.179 315 L HN 0.673 nan 8.230 nan 0.000 0.429 316 H N 0.312 119.420 119.070 0.064 0.000 2.933 316 H HA 0.785 5.355 4.556 0.024 0.000 0.310 316 H C -0.766 174.633 175.328 0.119 0.000 1.351 316 H CA -0.499 55.591 56.048 0.070 0.000 1.137 316 H CB 0.805 30.591 29.762 0.039 0.000 1.853 316 H HN 0.544 nan 8.280 nan 0.000 0.539 317 T N -2.191 112.465 114.554 0.169 0.000 2.927 317 T HA 0.556 4.921 4.350 0.024 0.000 0.281 317 T C 1.411 176.195 174.700 0.140 0.000 0.998 317 T CA -0.370 61.827 62.100 0.162 0.000 1.019 317 T CB 1.514 70.450 68.868 0.113 0.000 1.061 317 T HN 0.925 nan 8.240 nan 0.000 0.518 318 A N 1.182 124.076 122.820 0.123 0.000 1.940 318 A HA -0.106 4.228 4.320 0.024 0.000 0.219 318 A C 1.795 179.437 177.584 0.097 0.000 1.176 318 A CA 2.092 54.188 52.037 0.099 0.000 0.631 318 A CB -1.380 17.678 19.000 0.097 0.000 0.814 318 A HN 1.039 nan 8.150 nan 0.000 0.446 319 D N -2.997 117.438 120.400 0.059 0.000 2.378 319 D HA 0.296 4.950 4.640 0.024 0.000 0.227 319 D C 1.149 177.483 176.300 0.057 0.000 1.012 319 D CA 1.195 55.217 54.000 0.035 0.000 0.905 319 D CB -0.128 40.666 40.800 -0.010 0.000 0.895 319 D HN 0.721 nan 8.370 nan 0.000 0.532 320 G N -0.962 107.911 108.800 0.121 0.000 2.253 320 G HA2 -0.242 3.732 3.960 0.024 0.000 0.209 320 G HA3 -0.242 3.732 3.960 0.024 0.000 0.209 320 G C 0.433 175.382 174.900 0.082 0.000 0.997 320 G CA -0.021 45.139 45.100 0.101 0.000 0.640 320 G HN 0.379 nan 8.290 nan 0.000 0.496 321 T N 2.427 117.032 114.554 0.085 0.000 2.829 321 T HA 0.388 4.752 4.350 0.024 0.000 0.293 321 T C 0.433 175.200 174.700 0.111 0.000 0.970 321 T CA 0.212 62.350 62.100 0.063 0.000 1.168 321 T CB 1.471 70.359 68.868 0.032 0.000 0.911 321 T HN 0.601 nan 8.240 nan 0.000 0.535 322 L N 4.840 126.106 121.223 0.071 0.000 2.416 322 L HA 0.306 4.660 4.340 0.024 0.000 0.272 322 L C 0.797 177.717 176.870 0.083 0.000 1.161 322 L CA 0.377 55.269 54.840 0.087 0.000 0.845 322 L CB 0.244 42.320 42.059 0.028 0.000 1.119 322 L HN 0.658 nan 8.230 nan 0.000 0.464 323 I N 2.411 123.042 120.570 0.102 0.000 2.499 323 I HA 0.148 4.333 4.170 0.024 0.000 0.243 323 I C 0.281 176.423 176.117 0.042 0.000 1.085 323 I CA 0.495 61.836 61.300 0.067 0.000 1.422 323 I CB 0.107 38.151 38.000 0.072 0.000 1.165 323 I HN 0.803 nan 8.210 nan 0.000 0.440 324 E N 0.180 120.405 120.200 0.042 0.000 2.437 324 E HA 0.744 5.109 4.350 0.024 0.000 0.280 324 E C -1.491 175.130 176.600 0.034 0.000 1.044 324 E CA -1.159 55.257 56.400 0.027 0.000 0.826 324 E CB 1.936 31.622 29.700 -0.024 0.000 1.358 324 E HN 0.017 nan 8.360 nan 0.000 0.459 325 A N 1.274 124.138 122.820 0.072 0.000 2.393 325 A HA 0.661 4.996 4.320 0.024 0.000 0.306 325 A C -1.004 176.680 177.584 0.168 0.000 1.050 325 A CA -0.756 51.326 52.037 0.075 0.000 0.724 325 A CB 1.574 20.611 19.000 0.062 0.000 1.248 325 A HN 0.523 nan 8.150 nan 0.000 0.424 326 E N -0.125 120.104 120.200 0.047 0.000 2.339 326 E HA 0.834 5.198 4.350 0.024 0.000 0.262 326 E C -0.469 176.166 176.600 0.058 0.000 0.934 326 E CA -0.624 55.866 56.400 0.150 0.000 0.802 326 E CB 2.419 32.120 29.700 0.001 0.000 1.275 326 E HN 1.081 nan 8.360 nan 0.000 0.427 327 A N -0.048 122.925 122.820 0.255 0.000 2.610 327 A HA 0.762 5.097 4.320 0.024 0.000 0.291 327 A C -1.060 176.710 177.584 0.310 0.000 1.086 327 A CA -0.458 51.670 52.037 0.151 0.000 0.677 327 A CB 0.954 19.967 19.000 0.023 0.000 1.278 327 A HN 0.853 nan 8.150 nan 0.000 0.414 328 C N -0.663 118.768 119.300 0.218 0.000 3.311 328 C HA 0.781 5.255 4.460 0.024 0.000 0.325 328 C C -1.512 173.553 174.990 0.124 0.000 1.352 328 C CA -0.963 58.173 59.018 0.197 0.000 1.308 328 C CB 1.105 28.981 27.740 0.227 0.000 1.619 328 C HN 0.793 nan 8.230 nan 0.000 0.469 329 D N 1.441 121.892 120.400 0.085 0.000 2.312 329 D HA 0.475 5.129 4.640 0.024 0.000 0.252 329 D C -0.312 176.019 176.300 0.051 0.000 1.150 329 D CA 0.197 54.249 54.000 0.087 0.000 0.870 329 D CB 1.796 42.648 40.800 0.087 0.000 1.153 329 D HN 0.530 nan 8.370 nan 0.000 0.457 330 V N 1.903 121.882 119.914 0.109 0.000 2.384 330 V HA 0.562 4.696 4.120 0.024 0.000 0.287 330 V C 0.753 176.918 176.094 0.119 0.000 1.020 330 V CA -0.806 61.519 62.300 0.040 0.000 0.850 330 V CB 1.740 33.575 31.823 0.020 0.000 0.987 330 V HN 0.592 nan 8.190 nan 0.000 0.436 331 G N 3.736 112.504 108.800 -0.053 0.000 2.415 331 G HA2 0.562 4.536 3.960 0.024 0.000 0.317 331 G HA3 0.562 4.536 3.960 0.024 0.000 0.317 331 G C -0.761 174.218 174.900 0.132 0.000 1.152 331 G CA -0.399 44.739 45.100 0.064 0.000 0.956 331 G HN 0.480 nan 8.290 nan 0.000 0.458 332 F N 4.298 124.433 119.950 0.308 0.000 2.490 332 F HA 0.346 4.887 4.527 0.023 0.000 0.357 332 F C 1.209 177.250 175.800 0.402 0.000 1.166 332 F CA 0.017 58.254 58.000 0.395 0.000 1.116 332 F CB 0.422 39.642 39.000 0.366 0.000 1.171 332 F HN 0.441 nan 8.300 nan 0.000 0.576 333 R N 2.933 123.728 120.500 0.491 0.000 2.680 333 R HA 0.462 4.816 4.340 0.024 0.000 0.269 333 R C -1.811 174.642 176.300 0.256 0.000 1.026 333 R CA -0.801 55.427 56.100 0.213 0.000 0.889 333 R CB 1.665 32.138 30.300 0.288 0.000 1.241 333 R HN 0.540 nan 8.270 nan 0.000 0.463 334 E N 1.968 122.217 120.200 0.082 0.000 2.210 334 E HA 0.449 4.814 4.350 0.024 0.000 0.266 334 E C -1.316 175.366 176.600 0.136 0.000 0.883 334 E CA -0.901 55.633 56.400 0.223 0.000 0.761 334 E CB 2.187 32.097 29.700 0.350 0.000 1.156 334 E HN 0.401 nan 8.360 nan 0.000 0.412 335 V N 5.722 125.714 119.914 0.131 0.000 2.350 335 V HA 0.501 4.636 4.120 0.024 0.000 0.285 335 V C -0.266 175.881 176.094 0.087 0.000 1.014 335 V CA -0.683 61.666 62.300 0.082 0.000 0.831 335 V CB 0.874 32.724 31.823 0.046 0.000 1.000 335 V HN 0.671 nan 8.190 nan 0.000 0.433 336 R N 4.090 124.640 120.500 0.084 0.000 2.740 336 R HA 0.776 5.130 4.340 0.024 0.000 0.273 336 R C -1.626 174.711 176.300 0.061 0.000 0.998 336 R CA -0.945 55.203 56.100 0.080 0.000 0.900 336 R CB 2.142 32.501 30.300 0.099 0.000 1.223 336 R HN 0.474 nan 8.270 nan 0.000 0.466 337 I N 1.655 122.259 120.570 0.057 0.000 2.304 337 I HA 0.245 4.430 4.170 0.024 0.000 0.291 337 I C -0.233 175.913 176.117 0.048 0.000 1.018 337 I CA -0.111 61.217 61.300 0.045 0.000 1.260 337 I CB 1.430 39.458 38.000 0.046 0.000 1.390 337 I HN 0.656 nan 8.210 nan 0.000 0.475 338 E N 5.773 125.998 120.200 0.042 0.000 2.234 338 E HA 0.240 4.605 4.350 0.024 0.000 0.266 338 E C -0.139 176.479 176.600 0.030 0.000 0.877 338 E CA -0.604 55.821 56.400 0.041 0.000 0.758 338 E CB 1.023 30.753 29.700 0.050 0.000 1.170 338 E HN 0.536 nan 8.360 nan 0.000 0.415 339 N N 3.060 121.777 118.700 0.029 0.000 2.725 339 N HA -0.234 4.521 4.740 0.024 0.000 0.249 339 N C 0.372 175.892 175.510 0.018 0.000 1.103 339 N CA 1.873 54.936 53.050 0.022 0.000 0.707 339 N CB -1.182 37.316 38.487 0.019 0.000 1.043 339 N HN 0.918 nan 8.380 nan 0.000 0.553 340 G N -2.148 106.664 108.800 0.020 0.000 2.159 340 G HA2 -0.281 3.693 3.960 0.024 0.000 0.256 340 G HA3 -0.281 3.693 3.960 0.024 0.000 0.256 340 G C -0.112 174.791 174.900 0.005 0.000 0.977 340 G CA 0.477 45.586 45.100 0.015 0.000 0.652 340 G HN 0.466 nan 8.290 nan 0.000 0.531 341 L N -0.080 121.147 121.223 0.005 0.000 2.346 341 L HA 0.683 5.038 4.340 0.024 0.000 0.276 341 L C 0.141 177.007 176.870 -0.006 0.000 1.006 341 L CA -1.302 53.534 54.840 -0.007 0.000 0.817 341 L CB 1.885 43.939 42.059 -0.008 0.000 1.272 341 L HN 0.097 nan 8.230 nan 0.000 0.421 342 L N 4.668 125.876 121.223 -0.025 0.000 2.325 342 L HA 0.379 4.733 4.340 0.024 0.000 0.284 342 L C -0.759 176.092 176.870 -0.032 0.000 1.089 342 L CA 0.388 55.212 54.840 -0.027 0.000 0.836 342 L CB 0.172 42.202 42.059 -0.048 0.000 1.184 342 L HN 0.381 nan 8.230 nan 0.000 0.444 343 L N 6.059 127.279 121.223 -0.004 0.000 2.317 343 L HA 0.491 4.845 4.340 0.024 0.000 0.281 343 L C -0.708 176.168 176.870 0.010 0.000 1.024 343 L CA -0.777 54.067 54.840 0.006 0.000 0.810 343 L CB 1.775 43.859 42.059 0.041 0.000 1.240 343 L HN 0.521 nan 8.230 nan 0.000 0.427 344 L N 4.562 125.793 121.223 0.014 0.000 2.316 344 L HA 0.462 4.816 4.340 0.024 0.000 0.280 344 L C -0.230 176.657 176.870 0.028 0.000 1.006 344 L CA 0.009 54.872 54.840 0.038 0.000 0.836 344 L CB 0.675 42.768 42.059 0.057 0.000 1.221 344 L HN 0.586 nan 8.230 nan 0.000 0.418 345 N N 4.139 122.729 118.700 -0.182 0.000 2.740 345 N HA -0.205 4.549 4.740 0.024 0.000 0.248 345 N C 0.915 176.062 175.510 -0.606 0.000 1.062 345 N CA 1.267 53.876 53.050 -0.734 0.000 0.704 345 N CB -1.284 36.742 38.487 -0.768 0.000 0.968 345 N HN 1.158 nan 8.380 nan 0.000 0.547 346 G N -1.850 106.886 108.800 -0.106 0.000 2.168 346 G HA2 -0.356 3.618 3.960 0.024 0.000 0.263 346 G HA3 -0.356 3.618 3.960 0.024 0.000 0.263 346 G C -0.081 174.841 174.900 0.035 0.000 0.977 346 G CA 0.934 46.091 45.100 0.095 0.000 0.659 346 G HN 0.397 nan 8.290 nan 0.000 0.533 347 K N 0.560 120.962 120.400 0.003 0.000 2.324 347 K HA 0.519 4.853 4.320 0.024 0.000 0.253 347 K C -2.718 173.852 176.600 -0.051 0.000 0.932 347 K CA -2.283 53.979 56.287 -0.042 0.000 0.799 347 K CB 2.694 35.112 32.500 -0.137 0.000 1.154 347 K HN 0.046 nan 8.250 nan 0.000 0.425 348 P HA 0.201 nan 4.420 nan 0.000 0.282 348 P C -0.085 177.157 177.300 -0.096 0.000 1.274 348 P CA -0.305 62.755 63.100 -0.068 0.000 0.770 348 P CB 0.579 32.243 31.700 -0.059 0.000 0.867 349 L N 3.556 124.717 121.223 -0.103 0.000 2.452 349 L HA 0.210 4.565 4.340 0.024 0.000 0.267 349 L C 0.664 177.458 176.870 -0.127 0.000 1.188 349 L CA -0.532 54.232 54.840 -0.127 0.000 0.821 349 L CB 0.329 42.266 42.059 -0.204 0.000 1.102 349 L HN 0.280 nan 8.230 nan 0.000 0.470 350 L N 4.352 125.515 121.223 -0.099 0.000 2.342 350 L HA 0.422 4.776 4.340 0.024 0.000 0.276 350 L C -0.444 176.379 176.870 -0.079 0.000 0.997 350 L CA -0.240 54.529 54.840 -0.118 0.000 0.838 350 L CB 1.095 43.119 42.059 -0.057 0.000 1.224 350 L HN 0.254 nan 8.230 nan 0.000 0.416 351 I N 5.528 125.974 120.570 -0.205 0.000 2.363 351 I HA 0.215 4.399 4.170 0.024 0.000 0.292 351 I C 0.514 176.594 176.117 -0.061 0.000 1.075 351 I CA 0.097 61.285 61.300 -0.187 0.000 1.333 351 I CB 0.369 38.139 38.000 -0.383 0.000 1.415 351 I HN 0.545 nan 8.210 nan 0.000 0.502 352 R N 4.827 125.401 120.500 0.124 0.000 3.070 352 R HA 0.452 4.806 4.340 0.024 0.000 0.252 352 R C 0.521 176.975 176.300 0.257 0.000 1.370 352 R CA -0.270 55.978 56.100 0.245 0.000 1.482 352 R CB 0.755 31.026 30.300 -0.047 0.000 1.220 352 R HN 0.752 nan 8.270 nan 0.000 0.622 353 G N 0.106 108.978 108.800 0.120 0.000 2.537 353 G HA2 0.609 4.584 3.960 0.024 0.000 0.323 353 G HA3 0.609 4.584 3.960 0.024 0.000 0.323 353 G C -1.353 173.726 174.900 0.299 0.000 1.207 353 G CA -0.492 44.575 45.100 -0.056 0.000 0.976 353 G HN 0.225 nan 8.290 nan 0.000 0.487 354 V N 0.223 120.327 119.914 0.316 0.000 2.969 354 V HA 0.399 4.533 4.120 0.024 0.000 0.304 354 V C -0.988 175.236 176.094 0.217 0.000 1.192 354 V CA -1.182 61.236 62.300 0.197 0.000 0.962 354 V CB 2.109 33.774 31.823 -0.263 0.000 1.045 354 V HN 0.796 nan 8.190 nan 0.000 0.428 355 N N 4.533 123.302 118.700 0.116 0.000 2.518 355 N HA 0.339 5.093 4.740 0.024 0.000 0.266 355 N C -0.567 174.759 175.510 -0.306 0.000 1.196 355 N CA -0.146 52.826 53.050 -0.130 0.000 0.947 355 N CB 1.110 39.494 38.487 -0.171 0.000 1.098 355 N HN 0.568 nan 8.380 nan 0.000 0.450 356 R N 2.092 122.367 120.500 -0.375 0.000 2.500 356 R HA 0.175 4.529 4.340 0.024 0.000 0.299 356 R C -1.005 175.040 176.300 -0.425 0.000 1.038 356 R CA -0.543 55.352 56.100 -0.342 0.000 0.903 356 R CB 0.667 30.740 30.300 -0.378 0.000 1.177 356 R HN 0.608 nan 8.270 nan 0.000 0.455 357 H N 2.458 121.355 119.070 -0.287 0.000 2.582 357 H HA 0.077 4.648 4.556 0.024 0.000 0.345 357 H C -0.389 174.944 175.328 0.010 0.000 1.104 357 H CA 0.208 56.191 56.048 -0.109 0.000 1.390 357 H CB 1.346 31.103 29.762 -0.008 0.000 1.461 357 H HN 0.546 nan 8.280 nan 0.000 0.551 358 E N 2.770 123.135 120.200 0.274 0.000 1.944 358 E HA 0.028 4.393 4.350 0.024 0.000 0.272 358 E C -0.481 176.283 176.600 0.273 0.000 1.195 358 E CA 0.169 56.688 56.400 0.198 0.000 0.926 358 E CB 0.022 29.849 29.700 0.212 0.000 1.051 358 E HN 0.385 nan 8.360 nan 0.000 0.404 359 H N 1.672 120.823 119.070 0.135 0.000 2.717 359 H HA 0.283 4.854 4.556 0.024 0.000 0.366 359 H C -1.466 173.950 175.328 0.146 0.000 1.132 359 H CA -0.665 55.461 56.048 0.131 0.000 1.180 359 H CB 1.137 30.966 29.762 0.111 0.000 1.678 359 H HN 0.398 nan 8.280 nan 0.000 0.537 360 H N 5.574 124.289 119.070 -0.592 0.000 2.679 360 H HA 0.203 4.774 4.556 0.024 0.000 0.360 360 H C -2.240 172.754 175.328 -0.557 0.000 1.105 360 H CA -2.356 53.476 56.048 -0.360 0.000 1.196 360 H CB 2.837 32.544 29.762 -0.090 0.000 1.636 360 H HN 0.543 nan 8.280 nan 0.000 0.531 361 P HA -0.057 nan 4.420 nan 0.000 0.221 361 P C 1.164 178.369 177.300 -0.157 0.000 1.150 361 P CA 0.779 63.736 63.100 -0.238 0.000 0.800 361 P CB 0.916 32.500 31.700 -0.194 0.000 0.787 362 L N -2.221 119.026 121.223 0.040 0.000 2.388 362 L HA 0.144 4.498 4.340 0.024 0.000 0.209 362 L C 2.133 178.880 176.870 -0.204 0.000 1.061 362 L CA 0.653 55.445 54.840 -0.080 0.000 0.834 362 L CB -0.522 41.455 42.059 -0.138 0.000 1.029 362 L HN -0.045 nan 8.230 nan 0.000 0.473 363 H N -0.800 118.331 119.070 0.102 0.000 2.586 363 H HA 0.278 4.848 4.556 0.024 0.000 0.273 363 H C 1.407 176.641 175.328 -0.156 0.000 0.997 363 H CA 0.436 56.398 56.048 -0.145 0.000 1.177 363 H CB 0.605 30.139 29.762 -0.380 0.000 1.471 363 H HN 0.338 nan 8.280 nan 0.000 0.538 364 G N 1.166 109.906 108.800 -0.100 0.000 2.720 364 G HA2 -0.385 3.589 3.960 0.024 0.000 0.293 364 G HA3 -0.385 3.589 3.960 0.024 0.000 0.293 364 G C 0.694 175.516 174.900 -0.131 0.000 1.256 364 G CA 0.398 45.375 45.100 -0.206 0.000 0.974 364 G HN 0.438 nan 8.290 nan 0.000 0.551 365 Q N -0.013 119.742 119.800 -0.076 0.000 2.155 365 Q HA 0.506 4.860 4.340 0.024 0.000 0.220 365 Q C -0.004 176.101 176.000 0.175 0.000 0.819 365 Q CA -0.176 55.629 55.803 0.003 0.000 1.032 365 Q CB 1.672 30.304 28.738 -0.177 0.000 1.151 365 Q HN 0.384 nan 8.270 nan 0.000 0.487 366 V N 1.933 121.915 119.914 0.112 0.000 2.498 366 V HA 0.241 4.375 4.120 0.024 0.000 0.279 366 V C 0.135 176.246 176.094 0.027 0.000 1.048 366 V CA 0.004 62.360 62.300 0.093 0.000 0.967 366 V CB 1.074 32.885 31.823 -0.019 0.000 0.988 366 V HN 0.337 nan 8.190 nan 0.000 0.473 367 M N 5.565 125.196 119.600 0.053 0.000 2.336 367 M HA 0.483 4.977 4.480 0.024 0.000 0.342 367 M C -0.414 175.819 176.300 -0.112 0.000 1.128 367 M CA -0.468 54.828 55.300 -0.007 0.000 1.016 367 M CB 1.736 34.346 32.600 0.015 0.000 1.665 367 M HN 0.847 nan 8.290 nan 0.000 0.445 368 D N 0.751 121.085 120.400 -0.111 0.000 2.490 368 D HA 0.246 4.900 4.640 0.024 0.000 0.232 368 D C 0.120 176.380 176.300 -0.066 0.000 1.053 368 D CA -0.466 53.463 54.000 -0.118 0.000 0.914 368 D CB 1.974 42.703 40.800 -0.118 0.000 1.431 368 D HN 0.685 nan 8.370 nan 0.000 0.483 369 E N 0.176 120.348 120.200 -0.047 0.000 2.051 369 E HA -0.272 4.092 4.350 0.024 0.000 0.192 369 E C 1.874 178.507 176.600 0.056 0.000 0.991 369 E CA 1.261 57.667 56.400 0.010 0.000 0.799 369 E CB 0.143 29.862 29.700 0.031 0.000 0.748 369 E HN 0.558 nan 8.360 nan 0.000 0.449 370 Q N -0.314 119.518 119.800 0.054 0.000 2.077 370 Q HA -0.192 4.162 4.340 0.024 0.000 0.206 370 Q C 2.014 178.076 176.000 0.103 0.000 0.989 370 Q CA 2.430 58.279 55.803 0.078 0.000 0.853 370 Q CB -0.060 28.723 28.738 0.074 0.000 0.907 370 Q HN 0.269 nan 8.270 nan 0.000 0.418 371 T N 0.648 115.272 114.554 0.116 0.000 2.737 371 T HA -0.141 4.223 4.350 0.024 0.000 0.265 371 T C 1.821 176.623 174.700 0.169 0.000 1.038 371 T CA 1.534 63.730 62.100 0.160 0.000 1.144 371 T CB -0.179 68.811 68.868 0.203 0.000 0.866 371 T HN 0.304 nan 8.240 nan 0.000 0.434 372 M N 0.634 120.332 119.600 0.165 0.000 2.080 372 M HA -0.125 4.369 4.480 0.024 0.000 0.260 372 M C 2.471 178.882 176.300 0.185 0.000 1.068 372 M CA 1.474 56.935 55.300 0.269 0.000 1.109 372 M CB -0.666 32.105 32.600 0.284 0.000 1.342 372 M HN 0.102 nan 8.290 nan 0.000 0.405 373 V N 0.036 120.004 119.914 0.090 0.000 2.407 373 V HA -0.294 3.841 4.120 0.024 0.000 0.248 373 V C 2.304 178.384 176.094 -0.024 0.000 1.055 373 V CA 1.965 64.253 62.300 -0.019 0.000 1.049 373 V CB -0.899 30.952 31.823 0.047 0.000 0.662 373 V HN 0.564 nan 8.190 nan 0.000 0.455 374 Q N -0.322 119.521 119.800 0.072 0.000 2.084 374 Q HA -0.256 4.098 4.340 0.024 0.000 0.202 374 Q C 1.967 178.063 176.000 0.159 0.000 0.978 374 Q CA 2.016 57.886 55.803 0.111 0.000 0.844 374 Q CB -0.080 28.742 28.738 0.140 0.000 0.898 374 Q HN 0.640 nan 8.270 nan 0.000 0.426 375 D N 0.410 120.926 120.400 0.194 0.000 2.084 375 D HA -0.140 4.514 4.640 0.024 0.000 0.194 375 D C 1.963 178.234 176.300 -0.048 0.000 0.990 375 D CA 1.097 55.225 54.000 0.212 0.000 0.826 375 D CB -0.292 40.640 40.800 0.219 0.000 0.971 375 D HN 0.323 nan 8.370 nan 0.000 0.453 376 I N 0.827 121.339 120.570 -0.096 0.000 2.208 376 I HA -0.262 3.923 4.170 0.024 0.000 0.245 376 I C 2.466 178.439 176.117 -0.239 0.000 1.097 376 I CA 0.752 61.884 61.300 -0.280 0.000 1.363 376 I CB -0.199 37.505 38.000 -0.493 0.000 1.051 376 I HN 0.018 nan 8.210 nan 0.000 0.413 377 L N 0.087 121.209 121.223 -0.169 0.000 1.994 377 L HA -0.245 4.109 4.340 0.024 0.000 0.208 377 L C 2.579 179.513 176.870 0.106 0.000 1.071 377 L CA 1.525 56.347 54.840 -0.030 0.000 0.745 377 L CB -0.596 41.467 42.059 0.007 0.000 0.892 377 L HN 0.280 nan 8.230 nan 0.000 0.431 378 L N -1.104 120.220 121.223 0.167 0.000 2.131 378 L HA -0.230 4.124 4.340 0.024 0.000 0.210 378 L C 2.633 179.705 176.870 0.337 0.000 1.092 378 L CA 1.196 56.229 54.840 0.322 0.000 0.759 378 L CB -0.251 42.111 42.059 0.506 0.000 0.903 378 L HN 0.290 nan 8.230 nan 0.000 0.435 379 M N -0.764 118.867 119.600 0.051 0.000 2.077 379 M HA -0.218 4.277 4.480 0.024 0.000 0.261 379 M C 2.296 178.718 176.300 0.203 0.000 1.070 379 M CA 1.839 57.121 55.300 -0.029 0.000 1.125 379 M CB -0.262 32.063 32.600 -0.457 0.000 1.339 379 M HN 0.024 nan 8.290 nan 0.000 0.409 380 K N -0.089 120.319 120.400 0.013 0.000 2.097 380 K HA -0.181 4.153 4.320 0.024 0.000 0.206 380 K C 1.996 178.632 176.600 0.061 0.000 1.049 380 K CA 1.327 57.527 56.287 -0.145 0.000 0.933 380 K CB -0.194 32.035 32.500 -0.451 0.000 0.717 380 K HN 0.425 nan 8.250 nan 0.000 0.442 381 Q N 0.336 120.320 119.800 0.305 0.000 2.226 381 Q HA -0.061 4.294 4.340 0.024 0.000 0.204 381 Q C 0.738 177.045 176.000 0.512 0.000 0.975 381 Q CA 0.863 56.941 55.803 0.458 0.000 0.866 381 Q CB 0.134 29.097 28.738 0.376 0.000 0.915 381 Q HN 0.277 nan 8.270 nan 0.000 0.440 382 N N 0.688 119.636 118.700 0.413 0.000 2.321 382 N HA 0.063 4.818 4.740 0.024 0.000 0.242 382 N C -0.766 174.793 175.510 0.081 0.000 1.141 382 N CA -0.003 53.255 53.050 0.347 0.000 0.864 382 N CB 0.672 39.440 38.487 0.468 0.000 1.100 382 N HN 0.171 nan 8.380 nan 0.000 0.510 383 N N 0.391 119.176 118.700 0.140 0.000 2.754 383 N HA -0.185 4.570 4.740 0.024 0.000 0.248 383 N C -1.054 174.340 175.510 -0.193 0.000 1.093 383 N CA 0.863 53.955 53.050 0.071 0.000 0.699 383 N CB -1.696 36.753 38.487 -0.064 0.000 1.016 383 N HN 0.252 nan 8.380 nan 0.000 0.552 384 F N 1.036 121.023 119.950 0.062 0.000 2.394 384 F HA 0.306 4.846 4.527 0.023 0.000 0.340 384 F C 1.704 177.505 175.800 0.001 0.000 1.105 384 F CA -0.790 57.222 58.000 0.020 0.000 1.124 384 F CB 0.935 39.918 39.000 -0.029 0.000 1.145 384 F HN 0.041 nan 8.300 nan 0.000 0.505 385 N N 0.879 119.707 118.700 0.214 0.000 2.159 385 N HA 0.433 5.187 4.740 0.024 0.000 0.217 385 N C -0.793 174.783 175.510 0.109 0.000 1.223 385 N CA -0.035 53.070 53.050 0.093 0.000 0.896 385 N CB 0.743 39.342 38.487 0.187 0.000 1.064 385 N HN 0.452 nan 8.380 nan 0.000 0.518 386 A N -0.502 122.435 122.820 0.195 0.000 2.572 386 A HA 0.765 5.100 4.320 0.024 0.000 0.295 386 A C -1.718 176.055 177.584 0.315 0.000 1.072 386 A CA -0.737 51.466 52.037 0.277 0.000 0.691 386 A CB 1.946 21.088 19.000 0.237 0.000 1.291 386 A HN 0.184 nan 8.150 nan 0.000 0.404 387 V N 1.515 121.697 119.914 0.446 0.000 2.888 387 V HA 0.751 4.885 4.120 0.024 0.000 0.309 387 V C -0.695 175.586 176.094 0.311 0.000 1.114 387 V CA -0.704 61.824 62.300 0.380 0.000 0.940 387 V CB 1.892 33.878 31.823 0.273 0.000 1.021 387 V HN 1.066 nan 8.190 nan 0.000 0.426 388 R N 4.902 125.430 120.500 0.045 0.000 2.393 388 R HA 0.470 4.824 4.340 0.024 0.000 0.310 388 R C -0.788 175.371 176.300 -0.235 0.000 0.968 388 R CA -0.519 55.416 56.100 -0.275 0.000 0.867 388 R CB 1.203 31.092 30.300 -0.685 0.000 1.124 388 R HN 0.807 nan 8.270 nan 0.000 0.450 389 C N 4.183 123.366 119.300 -0.196 0.000 2.896 389 C HA 0.115 4.589 4.460 0.024 0.000 0.499 389 C C 0.653 175.367 174.990 -0.460 0.000 1.022 389 C CA -0.472 58.370 59.018 -0.293 0.000 1.127 389 C CB -2.044 25.637 27.740 -0.099 0.000 1.452 389 C HN 0.661 nan 8.230 nan 0.000 0.580 390 S N 1.560 116.855 115.700 -0.675 0.000 2.455 390 S HA 0.226 4.710 4.470 0.024 0.000 0.278 390 S C -0.185 173.425 174.600 -1.649 0.000 1.216 390 S CA -0.030 57.531 58.200 -1.065 0.000 1.055 390 S CB 0.165 62.727 63.200 -1.062 0.000 0.939 390 S HN 0.726 nan 8.310 nan 0.000 0.494 391 H N 3.925 122.340 119.070 -1.091 0.000 2.379 391 H HA 0.336 4.906 4.556 0.024 0.000 0.229 391 H C -1.204 174.025 175.328 -0.164 0.000 1.423 391 H CA -0.360 55.467 56.048 -0.368 0.000 1.375 391 H CB -0.171 29.593 29.762 0.004 0.000 1.592 391 H HN 0.886 nan 8.280 nan 0.000 0.507 392 Y N -2.588 117.797 120.300 0.141 0.000 2.638 392 Y HA 0.372 4.936 4.550 0.024 0.000 0.334 392 Y C -3.344 172.646 175.900 0.151 0.000 1.182 392 Y CA -3.099 55.096 58.100 0.157 0.000 1.102 392 Y CB 0.090 38.650 38.460 0.167 0.000 1.343 392 Y HN -0.048 nan 8.280 nan 0.000 0.463 393 P HA 0.141 nan 4.420 nan 0.000 0.266 393 P C -0.662 176.899 177.300 0.435 0.000 1.195 393 P CA 0.278 63.613 63.100 0.391 0.000 0.768 393 P CB 0.618 32.489 31.700 0.285 0.000 0.838 394 N N 0.738 119.707 118.700 0.448 0.000 2.413 394 N HA 0.081 4.836 4.740 0.024 0.000 0.266 394 N C 0.040 175.773 175.510 0.373 0.000 1.238 394 N CA -0.321 52.908 53.050 0.299 0.000 0.972 394 N CB -0.012 38.438 38.487 -0.060 0.000 1.210 394 N HN 0.481 nan 8.380 nan 0.000 0.547 395 H N 2.080 121.253 119.070 0.171 0.000 3.140 395 H HA -0.037 4.533 4.556 0.024 0.000 0.316 395 H C -1.480 174.009 175.328 0.268 0.000 0.986 395 H CA -0.727 55.410 56.048 0.148 0.000 1.397 395 H CB 0.693 30.514 29.762 0.098 0.000 1.377 395 H HN 0.419 nan 8.280 nan 0.000 0.585 396 P HA -0.240 nan 4.420 nan 0.000 0.218 396 P C 1.820 179.417 177.300 0.495 0.000 1.152 396 P CA 0.901 64.207 63.100 0.344 0.000 0.857 396 P CB 0.230 31.998 31.700 0.114 0.000 0.787 397 L N -1.081 120.513 121.223 0.618 0.000 2.141 397 L HA -0.035 4.320 4.340 0.024 0.000 0.209 397 L C 2.404 179.432 176.870 0.264 0.000 1.094 397 L CA 1.351 56.415 54.840 0.374 0.000 0.763 397 L CB -1.427 40.775 42.059 0.238 0.000 0.908 397 L HN 0.037 nan 8.230 nan 0.000 0.437 398 W N -0.484 120.856 121.300 0.066 0.000 2.325 398 W HA -0.328 4.346 4.660 0.023 0.000 0.299 398 W C 1.908 178.299 176.519 -0.214 0.000 1.215 398 W CA 1.929 59.192 57.345 -0.137 0.000 1.244 398 W CB -0.325 28.968 29.460 -0.278 0.000 1.140 398 W HN 0.292 nan 8.180 nan 0.000 0.523 399 Y N 0.720 120.962 120.300 -0.098 0.000 2.220 399 Y HA -0.171 4.393 4.550 0.024 0.000 0.291 399 Y C 2.883 178.624 175.900 -0.265 0.000 1.129 399 Y CA 2.146 60.013 58.100 -0.388 0.000 1.161 399 Y CB -1.234 36.675 38.460 -0.919 0.000 0.997 399 Y HN -0.255 nan 8.280 nan 0.000 0.522 400 T N 1.045 115.658 114.554 0.098 0.000 2.635 400 T HA -0.227 4.137 4.350 0.024 0.000 0.267 400 T C 2.023 176.768 174.700 0.076 0.000 1.040 400 T CA 1.776 63.992 62.100 0.192 0.000 1.156 400 T CB -0.711 68.291 68.868 0.223 0.000 0.863 400 T HN 0.216 nan 8.240 nan 0.000 0.430 401 L N 0.294 121.520 121.223 0.004 0.000 2.012 401 L HA -0.135 4.219 4.340 0.024 0.000 0.210 401 L C 2.945 179.806 176.870 -0.014 0.000 1.073 401 L CA 1.116 55.967 54.840 0.019 0.000 0.748 401 L CB -0.724 41.314 42.059 -0.035 0.000 0.891 401 L HN 0.375 nan 8.230 nan 0.000 0.431 402 C N -0.352 118.798 119.300 -0.250 0.000 2.432 402 C HA -0.135 4.339 4.460 0.024 0.000 0.280 402 C C 2.389 177.436 174.990 0.095 0.000 1.353 402 C CA 0.343 59.243 59.018 -0.196 0.000 1.766 402 C CB -0.886 26.613 27.740 -0.403 0.000 1.924 402 C HN 0.538 nan 8.230 nan 0.000 0.509 403 D N 0.469 120.930 120.400 0.103 0.000 2.117 403 D HA -0.093 4.561 4.640 0.024 0.000 0.197 403 D C 2.406 178.905 176.300 0.332 0.000 0.987 403 D CA 1.211 55.325 54.000 0.191 0.000 0.829 403 D CB -0.278 40.599 40.800 0.129 0.000 0.961 403 D HN 0.554 nan 8.370 nan 0.000 0.460 404 R N -1.037 119.545 120.500 0.135 0.000 2.105 404 R HA 0.037 4.391 4.340 0.024 0.000 0.214 404 R C 2.179 178.425 176.300 -0.091 0.000 1.091 404 R CA 0.363 56.465 56.100 0.005 0.000 1.007 404 R CB -0.170 30.040 30.300 -0.151 0.000 0.912 404 R HN 0.228 nan 8.270 nan 0.000 0.450 405 Y N 0.413 120.719 120.300 0.011 0.000 2.337 405 Y HA 0.136 4.700 4.550 0.024 0.000 0.293 405 Y C 1.127 176.943 175.900 -0.141 0.000 1.123 405 Y CA 1.069 59.139 58.100 -0.051 0.000 1.201 405 Y CB 0.179 38.580 38.460 -0.099 0.000 1.011 405 Y HN 0.265 nan 8.280 nan 0.000 0.545 406 G N 0.902 109.721 108.800 0.032 0.000 2.830 406 G HA2 -0.133 3.842 3.960 0.024 0.000 0.298 406 G HA3 -0.133 3.842 3.960 0.024 0.000 0.298 406 G C -1.143 173.592 174.900 -0.274 0.000 1.031 406 G CA -0.498 44.480 45.100 -0.202 0.000 1.179 406 G HN 0.173 nan 8.290 nan 0.000 0.527 407 L N 1.514 122.659 121.223 -0.128 0.000 2.493 407 L HA 0.432 4.786 4.340 0.024 0.000 0.265 407 L C -0.379 176.505 176.870 0.025 0.000 0.954 407 L CA -1.338 53.396 54.840 -0.176 0.000 0.844 407 L CB 1.859 43.835 42.059 -0.137 0.000 1.302 407 L HN 0.396 nan 8.230 nan 0.000 0.405 408 Y N 2.464 122.888 120.300 0.207 0.000 2.496 408 Y HA 0.250 4.816 4.550 0.026 0.000 0.334 408 Y C 0.345 176.386 175.900 0.234 0.000 1.080 408 Y CA -0.363 57.892 58.100 0.258 0.000 1.355 408 Y CB 0.610 39.200 38.460 0.217 0.000 1.193 408 Y HN 0.118 nan 8.280 nan 0.000 0.523 409 V N 4.840 124.955 119.914 0.335 0.000 2.459 409 V HA 0.359 4.493 4.120 0.024 0.000 0.295 409 V C -0.406 175.781 176.094 0.156 0.000 1.029 409 V CA -1.039 61.400 62.300 0.231 0.000 0.874 409 V CB 1.839 33.766 31.823 0.174 0.000 0.985 409 V HN 0.468 nan 8.190 nan 0.000 0.438 410 V N 3.761 123.736 119.914 0.101 0.000 2.333 410 V HA 0.309 4.443 4.120 0.024 0.000 0.274 410 V C -0.185 175.937 176.094 0.047 0.000 1.028 410 V CA -0.460 61.839 62.300 -0.001 0.000 0.851 410 V CB 1.388 33.098 31.823 -0.187 0.000 1.000 410 V HN 0.832 nan 8.190 nan 0.000 0.456 411 D N 4.159 124.618 120.400 0.100 0.000 2.295 411 D HA 0.296 4.950 4.640 0.024 0.000 0.248 411 D C -0.172 176.301 176.300 0.289 0.000 1.154 411 D CA 0.013 54.164 54.000 0.253 0.000 0.857 411 D CB 1.241 42.236 40.800 0.325 0.000 1.117 411 D HN 0.685 nan 8.370 nan 0.000 0.468 412 E N 1.688 122.028 120.200 0.234 0.000 2.187 412 E HA 0.616 4.981 4.350 0.024 0.000 0.268 412 E C -0.945 175.790 176.600 0.225 0.000 0.896 412 E CA -1.025 55.501 56.400 0.211 0.000 0.766 412 E CB 1.356 31.138 29.700 0.137 0.000 1.142 412 E HN 0.459 nan 8.360 nan 0.000 0.408 413 A N 3.727 126.674 122.820 0.211 0.000 2.425 413 A HA 0.074 4.408 4.320 0.024 0.000 0.242 413 A C 0.373 178.076 177.584 0.198 0.000 1.077 413 A CA -0.257 51.884 52.037 0.173 0.000 0.781 413 A CB 0.201 19.268 19.000 0.112 0.000 1.020 413 A HN 0.698 nan 8.150 nan 0.000 0.494 414 N N 0.829 119.649 118.700 0.199 0.000 3.254 414 N HA 0.243 4.998 4.740 0.024 0.000 0.308 414 N C -1.050 174.581 175.510 0.200 0.000 1.281 414 N CA 0.167 53.363 53.050 0.244 0.000 1.212 414 N CB -0.853 37.779 38.487 0.242 0.000 1.478 414 N HN 0.477 nan 8.380 nan 0.000 0.548 415 I N 0.910 121.591 120.570 0.186 0.000 2.493 415 I HA 0.280 4.464 4.170 0.024 0.000 0.279 415 I C -0.964 175.249 176.117 0.161 0.000 1.045 415 I CA -0.792 60.600 61.300 0.154 0.000 1.106 415 I CB 1.697 39.755 38.000 0.096 0.000 1.216 415 I HN -0.204 nan 8.210 nan 0.000 0.459 416 V N 4.269 124.279 119.914 0.160 0.000 2.532 416 V HA 0.307 4.441 4.120 0.024 0.000 0.294 416 V C 0.392 176.558 176.094 0.119 0.000 1.036 416 V CA -0.401 61.968 62.300 0.116 0.000 0.876 416 V CB 2.045 33.931 31.823 0.105 0.000 1.012 416 V HN 0.807 nan 8.190 nan 0.000 0.432 417 T N -0.944 113.670 114.554 0.101 0.000 3.355 417 T HA 0.133 4.497 4.350 0.024 0.000 0.276 417 T C 1.180 175.935 174.700 0.091 0.000 1.003 417 T CA -0.141 62.047 62.100 0.148 0.000 0.943 417 T CB -0.300 68.635 68.868 0.113 0.000 1.158 417 T HN 0.575 nan 8.240 nan 0.000 0.513 418 H N 2.596 121.583 119.070 -0.138 0.000 2.357 418 H HA -0.052 4.519 4.556 0.025 0.000 0.296 418 H C 2.183 177.381 175.328 -0.217 0.000 1.108 418 H CA 2.129 58.060 56.048 -0.196 0.000 1.273 418 H CB -0.628 28.979 29.762 -0.259 0.000 1.367 418 H HN 0.603 nan 8.280 nan 0.000 0.498 419 G N 0.030 108.672 108.800 -0.264 0.000 2.848 419 G HA2 -0.030 3.945 3.960 0.024 0.000 0.208 419 G HA3 -0.030 3.945 3.960 0.024 0.000 0.208 419 G C 0.677 175.664 174.900 0.144 0.000 1.152 419 G CA -0.239 44.726 45.100 -0.225 0.000 0.789 419 G HN 0.141 nan 8.290 nan 0.000 0.531 420 M N 0.423 120.162 119.600 0.231 0.000 2.226 420 M HA 0.302 4.797 4.480 0.024 0.000 0.324 420 M C -0.375 175.955 176.300 0.051 0.000 1.112 420 M CA -0.233 55.161 55.300 0.156 0.000 1.176 420 M CB 1.404 34.059 32.600 0.091 0.000 1.430 420 M HN -0.197 nan 8.290 nan 0.000 0.462 421 V N 4.055 123.978 119.914 0.014 0.000 2.419 421 V HA 0.349 4.484 4.120 0.024 0.000 0.287 421 V C -1.995 174.087 176.094 -0.021 0.000 1.017 421 V CA -1.270 61.024 62.300 -0.010 0.000 0.844 421 V CB 1.652 33.464 31.823 -0.017 0.000 1.011 421 V HN 0.731 nan 8.190 nan 0.000 0.429 422 P HA 0.281 nan 4.420 nan 0.000 0.277 422 P C 0.999 178.296 177.300 -0.004 0.000 1.271 422 P CA -0.591 62.501 63.100 -0.014 0.000 0.795 422 P CB 1.115 32.808 31.700 -0.012 0.000 1.101 423 M N 0.630 120.233 119.600 0.005 0.000 2.346 423 M HA -0.165 4.329 4.480 0.024 0.000 0.263 423 M C 1.228 177.545 176.300 0.028 0.000 1.064 423 M CA 1.717 57.031 55.300 0.023 0.000 1.083 423 M CB -0.427 32.180 32.600 0.012 0.000 1.399 423 M HN 0.375 nan 8.290 nan 0.000 0.435 424 N N -0.214 118.499 118.700 0.022 0.000 2.270 424 N HA -0.078 4.676 4.740 0.024 0.000 0.198 424 N C 1.234 176.719 175.510 -0.042 0.000 1.117 424 N CA 0.162 53.225 53.050 0.022 0.000 0.845 424 N CB -0.673 37.846 38.487 0.053 0.000 0.980 424 N HN 0.357 nan 8.380 nan 0.000 0.486 425 R N 0.558 121.019 120.500 -0.066 0.000 2.119 425 R HA -0.047 4.308 4.340 0.024 0.000 0.246 425 R C 1.581 177.769 176.300 -0.185 0.000 1.146 425 R CA 1.446 57.482 56.100 -0.107 0.000 0.962 425 R CB -0.083 30.151 30.300 -0.111 0.000 0.863 425 R HN 0.266 nan 8.270 nan 0.000 0.442 426 L N -0.626 120.423 121.223 -0.290 0.000 2.102 426 L HA -0.046 4.309 4.340 0.024 0.000 0.202 426 L C 2.541 179.254 176.870 -0.261 0.000 1.076 426 L CA 1.503 56.038 54.840 -0.507 0.000 0.761 426 L CB -0.597 40.944 42.059 -0.863 0.000 0.921 426 L HN 0.404 nan 8.230 nan 0.000 0.444 427 T N -4.365 110.077 114.554 -0.188 0.000 3.007 427 T HA -0.170 4.194 4.350 0.024 0.000 0.270 427 T C 1.276 175.882 174.700 -0.157 0.000 1.107 427 T CA 1.325 63.308 62.100 -0.196 0.000 1.118 427 T CB -0.189 68.542 68.868 -0.228 0.000 0.889 427 T HN 0.168 nan 8.240 nan 0.000 0.506 428 D N 0.868 121.209 120.400 -0.099 0.000 2.366 428 D HA 0.053 4.707 4.640 0.024 0.000 0.205 428 D C 0.214 176.490 176.300 -0.040 0.000 1.022 428 D CA -0.079 53.878 54.000 -0.073 0.000 0.868 428 D CB -0.086 40.682 40.800 -0.053 0.000 0.953 428 D HN 0.265 nan 8.370 nan 0.000 0.514 429 D N 0.117 120.504 120.400 -0.022 0.000 2.343 429 D HA 0.029 4.683 4.640 0.024 0.000 0.255 429 D C -1.516 174.831 176.300 0.078 0.000 1.187 429 D CA -1.808 52.220 54.000 0.046 0.000 0.875 429 D CB 1.766 42.630 40.800 0.107 0.000 1.136 429 D HN 0.078 nan 8.370 nan 0.000 0.469 430 P HA -0.091 nan 4.420 nan 0.000 0.222 430 P C 0.879 178.187 177.300 0.013 0.000 1.147 430 P CA 0.631 63.741 63.100 0.018 0.000 0.790 430 P CB 0.333 32.032 31.700 -0.001 0.000 0.780 431 R N -1.795 118.723 120.500 0.030 0.000 2.316 431 R HA -0.038 4.316 4.340 0.024 0.000 0.202 431 R C 1.149 177.332 176.300 -0.196 0.000 1.029 431 R CA 0.872 56.926 56.100 -0.076 0.000 1.018 431 R CB -0.435 29.811 30.300 -0.090 0.000 0.888 431 R HN 0.331 nan 8.270 nan 0.000 0.471 432 W N -0.464 120.778 121.300 -0.096 0.000 3.005 432 W HA 0.166 4.840 4.660 0.023 0.000 0.374 432 W C 1.348 177.804 176.519 -0.105 0.000 1.076 432 W CA -0.570 56.717 57.345 -0.097 0.000 1.794 432 W CB 0.179 29.579 29.460 -0.101 0.000 1.113 432 W HN -0.015 nan 8.180 nan 0.000 0.584 433 L N 2.123 123.373 121.223 0.045 0.000 2.056 433 L HA 0.043 4.397 4.340 0.024 0.000 0.207 433 L C -0.672 176.158 176.870 -0.067 0.000 1.078 433 L CA 2.161 56.986 54.840 -0.025 0.000 0.749 433 L CB -1.561 40.473 42.059 -0.041 0.000 0.901 433 L HN -0.250 nan 8.230 nan 0.000 0.433 434 P HA -0.155 nan 4.420 nan 0.000 0.215 434 P C 1.614 178.854 177.300 -0.100 0.000 1.157 434 P CA 2.134 65.169 63.100 -0.109 0.000 0.868 434 P CB -0.227 31.400 31.700 -0.121 0.000 0.788 435 A N -1.064 121.705 122.820 -0.084 0.000 1.908 435 A HA -0.213 4.121 4.320 0.024 0.000 0.218 435 A C 2.252 179.843 177.584 0.011 0.000 1.181 435 A CA 2.043 54.061 52.037 -0.032 0.000 0.627 435 A CB -1.488 17.503 19.000 -0.016 0.000 0.818 435 A HN 0.112 nan 8.150 nan 0.000 0.445 436 M N 0.143 119.755 119.600 0.020 0.000 2.132 436 M HA -0.146 4.349 4.480 0.024 0.000 0.263 436 M C 2.588 178.829 176.300 -0.097 0.000 1.065 436 M CA 1.762 57.053 55.300 -0.016 0.000 1.122 436 M CB -0.364 32.207 32.600 -0.048 0.000 1.365 436 M HN 0.669 nan 8.290 nan 0.000 0.411 437 S N 0.324 115.934 115.700 -0.149 0.000 2.370 437 S HA -0.192 4.292 4.470 0.024 0.000 0.226 437 S C 1.608 176.035 174.600 -0.290 0.000 1.033 437 S CA 1.468 59.510 58.200 -0.264 0.000 1.011 437 S CB -0.722 62.301 63.200 -0.295 0.000 0.852 437 S HN 0.511 nan 8.310 nan 0.000 0.457 438 E N 0.921 121.003 120.200 -0.197 0.000 2.265 438 E HA -0.081 4.283 4.350 0.024 0.000 0.196 438 E C 2.277 178.798 176.600 -0.133 0.000 0.996 438 E CA 0.797 57.096 56.400 -0.168 0.000 0.832 438 E CB -0.105 29.529 29.700 -0.109 0.000 0.756 438 E HN 0.591 nan 8.360 nan 0.000 0.491 439 R N -0.335 120.108 120.500 -0.096 0.000 2.210 439 R HA 0.025 4.379 4.340 0.024 0.000 0.203 439 R C 2.105 178.368 176.300 -0.061 0.000 1.010 439 R CA 0.183 56.260 56.100 -0.039 0.000 1.008 439 R CB 0.386 30.700 30.300 0.025 0.000 0.923 439 R HN -0.021 nan 8.270 nan 0.000 0.469 440 V N 0.138 119.966 119.914 -0.143 0.000 2.436 440 V HA -0.151 3.983 4.120 0.024 0.000 0.240 440 V C 2.370 178.289 176.094 -0.291 0.000 1.040 440 V CA 2.122 64.317 62.300 -0.175 0.000 1.052 440 V CB 0.036 31.747 31.823 -0.186 0.000 0.707 440 V HN 0.468 nan 8.190 nan 0.000 0.469 441 T N -0.880 113.376 114.554 -0.496 0.000 2.821 441 T HA -0.207 4.157 4.350 0.024 0.000 0.267 441 T C 1.914 176.460 174.700 -0.256 0.000 1.046 441 T CA 1.258 62.969 62.100 -0.649 0.000 1.139 441 T CB -0.353 67.946 68.868 -0.948 0.000 0.871 441 T HN 0.379 nan 8.240 nan 0.000 0.454 442 R N 0.075 120.452 120.500 -0.205 0.000 2.193 442 R HA 0.296 4.650 4.340 0.024 0.000 0.213 442 R C 2.552 178.785 176.300 -0.112 0.000 1.055 442 R CA 0.940 56.958 56.100 -0.138 0.000 0.995 442 R CB -0.397 29.827 30.300 -0.126 0.000 0.893 442 R HN 0.463 nan 8.270 nan 0.000 0.459 443 M N 0.531 120.072 119.600 -0.098 0.000 2.077 443 M HA -0.150 4.345 4.480 0.024 0.000 0.261 443 M C 1.829 178.075 176.300 -0.090 0.000 1.070 443 M CA 1.690 56.963 55.300 -0.044 0.000 1.125 443 M CB 0.084 32.697 32.600 0.022 0.000 1.339 443 M HN -0.028 nan 8.290 nan 0.000 0.409 444 V N 0.922 120.681 119.914 -0.259 0.000 2.332 444 V HA -0.308 3.826 4.120 0.024 0.000 0.248 444 V C 2.253 178.254 176.094 -0.154 0.000 1.055 444 V CA 2.095 64.131 62.300 -0.441 0.000 1.038 444 V CB -1.049 30.475 31.823 -0.498 0.000 0.651 444 V HN 0.592 nan 8.190 nan 0.000 0.450 445 Q N -0.792 118.955 119.800 -0.088 0.000 2.226 445 Q HA -0.205 4.150 4.340 0.024 0.000 0.204 445 Q C 2.471 178.417 176.000 -0.091 0.000 0.975 445 Q CA 1.397 57.167 55.803 -0.055 0.000 0.866 445 Q CB -0.135 28.587 28.738 -0.028 0.000 0.915 445 Q HN 0.531 nan 8.270 nan 0.000 0.440 446 R N 0.040 120.476 120.500 -0.107 0.000 2.112 446 R HA -0.061 4.293 4.340 0.024 0.000 0.216 446 R C 0.481 176.737 176.300 -0.073 0.000 1.080 446 R CA 1.068 57.085 56.100 -0.139 0.000 0.996 446 R CB 0.525 30.733 30.300 -0.153 0.000 0.902 446 R HN 0.140 nan 8.270 nan 0.000 0.449 447 D N -0.211 120.199 120.400 0.016 0.000 2.398 447 D HA 0.006 4.660 4.640 0.024 0.000 0.210 447 D C 1.309 177.750 176.300 0.235 0.000 1.094 447 D CA 0.110 54.161 54.000 0.084 0.000 0.839 447 D CB 0.373 41.151 40.800 -0.038 0.000 0.963 447 D HN 0.346 nan 8.370 nan 0.000 0.506 448 R N 0.526 121.167 120.500 0.236 0.000 2.237 448 R HA 0.060 4.415 4.340 0.024 0.000 0.219 448 R C 0.842 177.196 176.300 0.090 0.000 1.080 448 R CA 0.770 57.041 56.100 0.285 0.000 0.995 448 R CB -0.199 30.194 30.300 0.155 0.000 0.875 448 R HN -0.101 nan 8.270 nan 0.000 0.462 449 N N 0.344 119.028 118.700 -0.026 0.000 2.353 449 N HA -0.010 4.745 4.740 0.024 0.000 0.185 449 N C -0.434 174.974 175.510 -0.171 0.000 1.098 449 N CA 0.278 53.269 53.050 -0.099 0.000 0.872 449 N CB 0.083 38.491 38.487 -0.133 0.000 0.970 449 N HN 0.291 nan 8.380 nan 0.000 0.467 450 H N 1.668 120.698 119.070 -0.066 0.000 2.878 450 H HA 0.083 4.653 4.556 0.023 0.000 0.290 450 H C -1.187 174.014 175.328 -0.212 0.000 1.065 450 H CA -1.102 54.883 56.048 -0.104 0.000 1.477 450 H CB 1.400 31.133 29.762 -0.048 0.000 1.484 450 H HN 0.098 nan 8.280 nan 0.000 0.504 451 P HA -0.143 nan 4.420 nan 0.000 0.220 451 P C 1.436 178.298 177.300 -0.730 0.000 1.148 451 P CA 0.956 63.733 63.100 -0.538 0.000 0.803 451 P CB 0.301 31.487 31.700 -0.856 0.000 0.782 452 S N -0.547 114.802 115.700 -0.585 0.000 2.399 452 S HA -0.054 4.430 4.470 0.024 0.000 0.231 452 S C 1.150 175.744 174.600 -0.010 0.000 1.022 452 S CA 0.440 58.490 58.200 -0.250 0.000 0.983 452 S CB -1.627 61.573 63.200 -0.000 0.000 0.803 452 S HN -0.050 nan 8.310 nan 0.000 0.480 453 V N 3.736 123.616 119.914 -0.057 0.000 2.446 453 V HA 0.193 4.327 4.120 0.024 0.000 0.276 453 V C 1.112 177.074 176.094 -0.220 0.000 1.030 453 V CA 0.195 62.411 62.300 -0.140 0.000 1.033 453 V CB 0.121 31.766 31.823 -0.296 0.000 0.993 453 V HN 0.639 nan 8.190 nan 0.000 0.477 454 I N 2.497 122.982 120.570 -0.142 0.000 4.312 454 I HA 0.501 4.685 4.170 0.024 0.000 0.324 454 I C 0.387 176.395 176.117 -0.181 0.000 1.298 454 I CA 0.448 61.685 61.300 -0.106 0.000 1.231 454 I CB 0.527 38.557 38.000 0.051 0.000 1.152 454 I HN 0.313 nan 8.210 nan 0.000 0.421 455 I N 0.304 120.739 120.570 -0.225 0.000 2.619 455 I HA 0.372 4.557 4.170 0.024 0.000 0.292 455 I C -1.488 174.492 176.117 -0.229 0.000 1.100 455 I CA -0.467 60.734 61.300 -0.165 0.000 1.043 455 I CB 1.910 39.910 38.000 -0.000 0.000 1.239 455 I HN 0.017 nan 8.210 nan 0.000 0.420 456 W N 3.712 125.067 121.300 0.092 0.000 2.438 456 W HA 0.603 5.275 4.660 0.020 0.000 0.324 456 W C 0.454 177.041 176.519 0.113 0.000 1.119 456 W CA -0.579 56.825 57.345 0.099 0.000 1.221 456 W CB 1.473 30.987 29.460 0.090 0.000 1.253 456 W HN 0.298 nan 8.180 nan 0.000 0.555 457 S N 2.608 118.538 115.700 0.382 0.000 2.502 457 S HA 0.381 4.866 4.470 0.024 0.000 0.304 457 S C 0.366 175.130 174.600 0.273 0.000 1.097 457 S CA -0.699 57.675 58.200 0.289 0.000 1.045 457 S CB 0.738 64.062 63.200 0.206 0.000 1.019 457 S HN 0.585 nan 8.310 nan 0.000 0.481 458 L N 4.219 125.593 121.223 0.252 0.000 2.552 458 L HA 0.310 4.665 4.340 0.024 0.000 0.227 458 L C 1.441 178.364 176.870 0.089 0.000 1.146 458 L CA 0.621 55.533 54.840 0.120 0.000 0.858 458 L CB -0.913 41.146 42.059 -0.001 0.000 0.969 458 L HN 0.965 nan 8.230 nan 0.000 0.451 459 G N -0.353 108.586 108.800 0.231 0.000 2.247 459 G HA2 -0.084 3.891 3.960 0.024 0.000 0.229 459 G HA3 -0.084 3.891 3.960 0.024 0.000 0.229 459 G C -1.726 173.375 174.900 0.335 0.000 1.345 459 G CA -0.507 44.742 45.100 0.248 0.000 1.100 459 G HN 0.138 nan 8.290 nan 0.000 0.473 460 N N 0.021 118.868 118.700 0.245 0.000 2.504 460 N HA 0.465 5.219 4.740 0.024 0.000 0.268 460 N C -0.870 174.601 175.510 -0.064 0.000 1.184 460 N CA 0.037 53.080 53.050 -0.012 0.000 0.875 460 N CB 1.682 39.881 38.487 -0.479 0.000 1.630 460 N HN 0.883 nan 8.380 nan 0.000 0.486 461 E N 0.601 120.665 120.200 -0.227 0.000 2.173 461 E HA -0.179 4.186 4.350 0.024 0.000 0.160 461 E C -0.847 175.678 176.600 -0.125 0.000 1.581 461 E CA 0.908 57.099 56.400 -0.348 0.000 0.618 461 E CB -1.159 28.078 29.700 -0.771 0.000 1.049 461 E HN 0.436 nan 8.360 nan 0.000 0.311 462 S N 0.215 115.971 115.700 0.095 0.000 3.073 462 S HA 0.406 4.890 4.470 0.024 0.000 0.252 462 S C 0.683 175.433 174.600 0.251 0.000 0.953 462 S CA -0.272 58.041 58.200 0.188 0.000 1.105 462 S CB 1.317 64.688 63.200 0.285 0.000 1.070 462 S HN 0.910 nan 8.310 nan 0.000 0.574 463 G N 2.087 110.969 108.800 0.138 0.000 2.578 463 G HA2 -0.255 3.719 3.960 0.024 0.000 0.275 463 G HA3 -0.255 3.719 3.960 0.024 0.000 0.275 463 G C -0.505 174.567 174.900 0.286 0.000 1.271 463 G CA 0.365 45.547 45.100 0.137 0.000 0.941 463 G HN 0.762 nan 8.290 nan 0.000 0.564 464 H N 0.023 119.192 119.070 0.165 0.000 2.823 464 H HA 0.633 5.203 4.556 0.023 0.000 0.332 464 H C 0.351 175.825 175.328 0.243 0.000 0.980 464 H CA 0.797 56.978 56.048 0.222 0.000 1.286 464 H CB 0.858 30.692 29.762 0.119 0.000 1.541 464 H HN 1.094 nan 8.280 nan 0.000 0.521 465 G N 1.579 110.322 108.800 -0.095 0.000 2.788 465 G HA2 0.504 4.479 3.960 0.024 0.000 0.293 465 G HA3 0.504 4.479 3.960 0.024 0.000 0.293 465 G C 0.485 175.186 174.900 -0.331 0.000 1.305 465 G CA -0.424 44.542 45.100 -0.222 0.000 1.005 465 G HN 0.779 nan 8.290 nan 0.000 0.496 466 A N 0.046 122.756 122.820 -0.183 0.000 1.933 466 A HA -0.088 4.246 4.320 0.024 0.000 0.218 466 A C 2.135 179.674 177.584 -0.076 0.000 1.175 466 A CA 2.022 53.997 52.037 -0.103 0.000 0.628 466 A CB -0.561 18.410 19.000 -0.048 0.000 0.814 466 A HN 0.526 nan 8.150 nan 0.000 0.444 467 N N -0.262 118.363 118.700 -0.125 0.000 2.205 467 N HA -0.160 4.594 4.740 0.024 0.000 0.186 467 N C 1.364 176.786 175.510 -0.147 0.000 1.015 467 N CA 1.727 54.691 53.050 -0.143 0.000 0.862 467 N CB -0.701 37.667 38.487 -0.197 0.000 0.986 467 N HN 0.790 nan 8.380 nan 0.000 0.429 468 H N 0.279 119.293 119.070 -0.092 0.000 2.326 468 H HA -0.022 4.548 4.556 0.023 0.000 0.301 468 H C 1.317 176.696 175.328 0.084 0.000 1.081 468 H CA 1.336 57.347 56.048 -0.061 0.000 1.334 468 H CB 0.143 29.861 29.762 -0.074 0.000 1.385 468 H HN 0.183 nan 8.280 nan 0.000 0.504 469 D N 0.333 120.867 120.400 0.222 0.000 2.117 469 D HA -0.134 4.520 4.640 0.024 0.000 0.197 469 D C 2.311 178.760 176.300 0.248 0.000 0.987 469 D CA 1.124 55.269 54.000 0.242 0.000 0.829 469 D CB -0.401 40.507 40.800 0.180 0.000 0.961 469 D HN 0.414 nan 8.370 nan 0.000 0.460 470 A N 1.147 124.057 122.820 0.150 0.000 1.851 470 A HA -0.162 4.172 4.320 0.024 0.000 0.216 470 A C 2.437 180.121 177.584 0.166 0.000 1.195 470 A CA 1.166 53.281 52.037 0.130 0.000 0.622 470 A CB -0.925 18.108 19.000 0.056 0.000 0.831 470 A HN 0.211 nan 8.150 nan 0.000 0.444 471 L N -2.058 119.240 121.223 0.125 0.000 2.141 471 L HA -0.154 4.201 4.340 0.024 0.000 0.209 471 L C 2.577 179.575 176.870 0.214 0.000 1.094 471 L CA 1.512 56.425 54.840 0.121 0.000 0.763 471 L CB -0.687 41.375 42.059 0.004 0.000 0.908 471 L HN 0.640 nan 8.230 nan 0.000 0.437 472 Y N 1.437 121.816 120.300 0.132 0.000 2.097 472 Y HA -0.354 4.205 4.550 0.016 0.000 0.282 472 Y C 2.841 178.825 175.900 0.140 0.000 1.152 472 Y CA 1.980 60.167 58.100 0.144 0.000 1.136 472 Y CB -0.175 38.375 38.460 0.150 0.000 0.975 472 Y HN -0.021 nan 8.280 nan 0.000 0.498 473 R N -0.143 120.449 120.500 0.153 0.000 2.092 473 R HA -0.190 4.165 4.340 0.024 0.000 0.231 473 R C 2.047 178.343 176.300 -0.007 0.000 1.119 473 R CA 1.849 57.965 56.100 0.026 0.000 0.970 473 R CB -1.519 28.885 30.300 0.174 0.000 0.864 473 R HN 0.652 nan 8.270 nan 0.000 0.440 474 W N 0.617 121.868 121.300 -0.083 0.000 2.318 474 W HA -0.185 4.491 4.660 0.025 0.000 0.313 474 W C 1.661 178.081 176.519 -0.165 0.000 1.221 474 W CA 2.250 59.533 57.345 -0.104 0.000 1.266 474 W CB -0.284 29.121 29.460 -0.092 0.000 1.150 474 W HN 0.094 nan 8.180 nan 0.000 0.496 475 I N 0.754 121.342 120.570 0.029 0.000 2.179 475 I HA -0.351 3.833 4.170 0.024 0.000 0.242 475 I C 2.398 178.330 176.117 -0.309 0.000 1.088 475 I CA 1.407 62.577 61.300 -0.216 0.000 1.357 475 I CB -0.744 37.176 38.000 -0.132 0.000 1.051 475 I HN -0.111 nan 8.210 nan 0.000 0.409 476 K N 0.267 120.487 120.400 -0.300 0.000 2.209 476 K HA -0.139 4.196 4.320 0.024 0.000 0.204 476 K C 2.223 178.690 176.600 -0.221 0.000 1.048 476 K CA 1.347 57.478 56.287 -0.260 0.000 0.940 476 K CB -0.432 31.860 32.500 -0.347 0.000 0.729 476 K HN 0.278 nan 8.250 nan 0.000 0.451 477 S N 0.174 115.704 115.700 -0.284 0.000 2.439 477 S HA -0.017 4.467 4.470 0.024 0.000 0.224 477 S C 1.931 176.307 174.600 -0.374 0.000 1.029 477 S CA 0.399 58.431 58.200 -0.281 0.000 0.946 477 S CB 0.176 63.212 63.200 -0.273 0.000 0.797 477 S HN 0.015 nan 8.310 nan 0.000 0.504 478 V N 0.936 120.500 119.914 -0.583 0.000 2.500 478 V HA 0.177 4.312 4.120 0.024 0.000 0.243 478 V C 0.508 176.361 176.094 -0.402 0.000 1.039 478 V CA 1.290 63.205 62.300 -0.643 0.000 1.053 478 V CB -0.134 30.966 31.823 -1.204 0.000 0.695 478 V HN 0.483 nan 8.190 nan 0.000 0.463 479 D N -0.641 119.570 120.400 -0.314 0.000 2.404 479 D HA 0.293 4.947 4.640 0.024 0.000 0.267 479 D C -2.192 174.099 176.300 -0.014 0.000 1.194 479 D CA -1.913 52.021 54.000 -0.110 0.000 0.910 479 D CB 1.629 42.442 40.800 0.021 0.000 1.090 479 D HN 0.110 nan 8.370 nan 0.000 0.511 480 P HA -0.060 nan 4.420 nan 0.000 0.239 480 P C 1.146 178.474 177.300 0.047 0.000 1.184 480 P CA 0.537 63.636 63.100 -0.002 0.000 0.760 480 P CB 0.192 31.882 31.700 -0.017 0.000 0.884 481 S N -1.501 114.241 115.700 0.071 0.000 2.489 481 S HA 0.060 4.544 4.470 0.024 0.000 0.228 481 S C 0.881 175.530 174.600 0.081 0.000 0.995 481 S CA 0.021 58.270 58.200 0.082 0.000 0.934 481 S CB -0.285 62.960 63.200 0.074 0.000 0.771 481 S HN 0.040 nan 8.310 nan 0.000 0.522 482 R N 1.271 121.838 120.500 0.112 0.000 2.575 482 R HA 0.524 4.879 4.340 0.024 0.000 0.293 482 R C -3.197 173.178 176.300 0.126 0.000 0.983 482 R CA -2.301 53.835 56.100 0.060 0.000 0.887 482 R CB 1.626 31.849 30.300 -0.129 0.000 1.184 482 R HN 0.161 nan 8.270 nan 0.000 0.445 483 P HA 0.028 nan 4.420 nan 0.000 0.269 483 P C -0.780 176.636 177.300 0.192 0.000 1.215 483 P CA -0.283 62.891 63.100 0.125 0.000 0.780 483 P CB 0.641 32.395 31.700 0.091 0.000 0.898 484 V N 3.036 123.092 119.914 0.237 0.000 2.417 484 V HA 0.383 4.517 4.120 0.024 0.000 0.291 484 V C 0.218 176.504 176.094 0.319 0.000 1.024 484 V CA -0.279 62.208 62.300 0.311 0.000 0.861 484 V CB 1.026 33.011 31.823 0.269 0.000 0.985 484 V HN 0.590 nan 8.190 nan 0.000 0.436 485 Q N 4.296 124.258 119.800 0.271 0.000 2.387 485 Q HA 0.786 5.140 4.340 0.024 0.000 0.273 485 Q C -1.873 174.291 176.000 0.273 0.000 1.089 485 Q CA -0.880 55.050 55.803 0.212 0.000 0.824 485 Q CB 2.954 31.762 28.738 0.116 0.000 1.367 485 Q HN 0.661 nan 8.270 nan 0.000 0.443 486 Y N 0.489 120.809 120.300 0.034 0.000 2.424 486 Y HA 0.160 4.723 4.550 0.022 0.000 0.323 486 Y C -0.353 175.501 175.900 -0.078 0.000 1.174 486 Y CA -0.750 57.340 58.100 -0.016 0.000 1.060 486 Y CB 2.147 40.596 38.460 -0.018 0.000 1.314 486 Y HN 0.935 nan 8.280 nan 0.000 0.439 487 E N 3.400 123.125 120.200 -0.792 0.000 2.190 487 E HA 0.115 4.479 4.350 0.024 0.000 0.191 487 E C 0.693 176.859 176.600 -0.723 0.000 0.978 487 E CA 0.841 56.881 56.400 -0.600 0.000 0.839 487 E CB 0.098 29.559 29.700 -0.399 0.000 0.787 487 E HN 0.902 nan 8.360 nan 0.000 0.473 488 G N -0.304 107.690 108.800 -1.344 0.000 2.562 488 G HA2 0.218 4.192 3.960 0.024 0.000 0.233 488 G HA3 0.218 4.192 3.960 0.024 0.000 0.233 488 G C 0.804 175.552 174.900 -0.252 0.000 1.266 488 G CA 0.384 45.078 45.100 -0.678 0.000 0.852 488 G HN 0.404 nan 8.290 nan 0.000 0.581 489 G N -0.691 108.065 108.800 -0.073 0.000 2.143 489 G HA2 0.234 4.209 3.960 0.024 0.000 0.248 489 G HA3 0.234 4.209 3.960 0.024 0.000 0.248 489 G C 1.237 176.139 174.900 0.004 0.000 0.991 489 G CA 1.010 46.130 45.100 0.034 0.000 0.689 489 G HN 2.627 nan 8.290 nan 0.000 0.522 490 G N -1.621 107.178 108.800 -0.002 0.000 2.227 490 G HA2 0.468 4.443 3.960 0.024 0.000 0.168 490 G HA3 0.468 4.443 3.960 0.024 0.000 0.168 490 G C 1.009 176.041 174.900 0.220 0.000 1.006 490 G CA 1.233 46.398 45.100 0.108 0.000 0.684 490 G HN 2.316 nan 8.290 nan 0.000 0.489 491 A N -0.158 122.675 122.820 0.023 0.000 3.396 491 A HA -0.127 4.207 4.320 0.024 0.000 0.267 491 A C 1.094 178.632 177.584 -0.076 0.000 1.139 491 A CA 2.622 54.614 52.037 -0.075 0.000 1.115 491 A CB -1.737 17.190 19.000 -0.122 0.000 1.133 491 A HN 2.077 nan 8.150 nan 0.000 0.920 492 D N -0.961 119.472 120.400 0.056 0.000 2.785 492 D HA 0.303 4.957 4.640 0.024 0.000 0.324 492 D C 0.418 176.713 176.300 -0.008 0.000 1.523 492 D CA 0.844 54.880 54.000 0.059 0.000 0.789 492 D CB -1.212 39.762 40.800 0.291 0.000 1.171 492 D HN 0.822 nan 8.370 nan 0.000 0.447 493 T N -2.173 112.307 114.554 -0.125 0.000 2.681 493 T HA 0.163 4.527 4.350 0.024 0.000 0.333 493 T C 1.571 176.131 174.700 -0.232 0.000 1.049 493 T CA 0.634 62.571 62.100 -0.270 0.000 1.002 493 T CB 0.565 69.021 68.868 -0.687 0.000 1.161 493 T HN 0.097 nan 8.240 nan 0.000 0.519 494 T N -2.911 111.487 114.554 -0.259 0.000 3.148 494 T HA 0.321 4.686 4.350 0.024 0.000 0.253 494 T C 1.448 175.894 174.700 -0.424 0.000 1.134 494 T CA 0.139 62.109 62.100 -0.217 0.000 1.051 494 T CB -0.400 68.417 68.868 -0.084 0.000 0.959 494 T HN 0.820 nan 8.240 nan 0.000 0.525 495 A N 0.509 123.119 122.820 -0.351 0.000 2.460 495 A HA 0.525 4.859 4.320 0.024 0.000 0.258 495 A C 0.771 178.216 177.584 -0.232 0.000 1.300 495 A CA -0.338 51.461 52.037 -0.395 0.000 0.913 495 A CB 0.068 19.144 19.000 0.126 0.000 1.031 495 A HN 0.418 nan 8.150 nan 0.000 0.512 496 T N -1.269 113.147 114.554 -0.230 0.000 2.971 496 T HA 0.367 4.732 4.350 0.024 0.000 0.304 496 T C -0.535 174.193 174.700 0.047 0.000 1.038 496 T CA -0.448 61.665 62.100 0.022 0.000 1.007 496 T CB 1.187 70.067 68.868 0.019 0.000 1.055 496 T HN 0.101 nan 8.240 nan 0.000 0.451 497 D N 2.896 123.402 120.400 0.176 0.000 2.323 497 D HA 0.224 4.878 4.640 0.024 0.000 0.209 497 D C 0.411 176.749 176.300 0.064 0.000 0.973 497 D CA 0.821 54.909 54.000 0.148 0.000 0.874 497 D CB 0.382 41.299 40.800 0.195 0.000 0.930 497 D HN 0.556 nan 8.370 nan 0.000 0.521 498 I N 1.005 121.597 120.570 0.036 0.000 2.498 498 I HA 0.252 4.436 4.170 0.024 0.000 0.290 498 I C -0.193 175.871 176.117 -0.087 0.000 1.032 498 I CA -0.913 60.374 61.300 -0.022 0.000 1.073 498 I CB 2.640 40.635 38.000 -0.008 0.000 1.251 498 I HN -0.339 nan 8.210 nan 0.000 0.426 499 I N 5.867 126.342 120.570 -0.158 0.000 2.578 499 I HA 0.007 4.191 4.170 0.024 0.000 0.286 499 I C 0.253 176.170 176.117 -0.334 0.000 1.126 499 I CA 0.136 61.248 61.300 -0.313 0.000 1.380 499 I CB -0.015 37.703 38.000 -0.471 0.000 1.408 499 I HN 0.697 nan 8.210 nan 0.000 0.532 500 C N 5.755 124.867 119.300 -0.314 0.000 3.401 500 C HA 0.459 4.934 4.460 0.024 0.000 0.204 500 C C -2.188 172.652 174.990 -0.250 0.000 1.522 500 C CA -2.305 56.575 59.018 -0.230 0.000 1.409 500 C CB -0.969 26.695 27.740 -0.127 0.000 1.967 500 C HN 0.433 nan 8.230 nan 0.000 0.496 501 P HA 0.240 nan 4.420 nan 0.000 0.272 501 P C -0.300 176.938 177.300 -0.104 0.000 1.223 501 P CA 0.496 63.468 63.100 -0.214 0.000 0.784 501 P CB 0.851 32.400 31.700 -0.252 0.000 0.923 502 M N 1.300 120.867 119.600 -0.055 0.000 2.129 502 M HA 0.399 4.894 4.480 0.024 0.000 0.348 502 M C -0.730 175.599 176.300 0.049 0.000 1.116 502 M CA -0.583 54.614 55.300 -0.173 0.000 1.022 502 M CB 0.510 32.991 32.600 -0.198 0.000 1.599 502 M HN 0.250 nan 8.290 nan 0.000 0.449 503 Y N -0.061 120.395 120.300 0.259 0.000 4.272 503 Y HA -0.191 4.374 4.550 0.025 0.000 0.232 503 Y C 0.450 176.518 175.900 0.280 0.000 1.149 503 Y CA 0.544 58.808 58.100 0.273 0.000 1.961 503 Y CB -2.436 36.176 38.460 0.252 0.000 1.611 503 Y HN 0.963 nan 8.280 nan 0.000 0.682 504 A N 1.055 124.090 122.820 0.358 0.000 2.454 504 A HA 0.554 4.888 4.320 0.024 0.000 0.260 504 A C 0.788 178.582 177.584 0.351 0.000 1.106 504 A CA -0.484 51.767 52.037 0.357 0.000 0.780 504 A CB 0.321 19.560 19.000 0.399 0.000 1.044 504 A HN 0.406 nan 8.150 nan 0.000 0.498 505 R N 1.723 122.367 120.500 0.240 0.000 2.637 505 R HA 0.291 4.646 4.340 0.024 0.000 0.269 505 R C 1.015 177.296 176.300 -0.031 0.000 1.089 505 R CA -0.626 55.547 56.100 0.122 0.000 1.177 505 R CB 0.538 30.880 30.300 0.069 0.000 1.091 505 R HN 0.503 nan 8.270 nan 0.000 0.540 506 V N 0.762 120.512 119.914 -0.274 0.000 2.255 506 V HA -0.197 3.937 4.120 0.024 0.000 0.243 506 V C 1.092 177.069 176.094 -0.195 0.000 1.038 506 V CA 1.858 63.939 62.300 -0.366 0.000 1.008 506 V CB -0.256 31.215 31.823 -0.585 0.000 0.645 506 V HN 0.744 nan 8.190 nan 0.000 0.449 507 D N -1.200 119.117 120.400 -0.137 0.000 2.394 507 D HA 0.065 4.720 4.640 0.024 0.000 0.226 507 D C 1.058 177.342 176.300 -0.026 0.000 0.990 507 D CA 0.099 54.054 54.000 -0.074 0.000 0.902 507 D CB 0.380 41.143 40.800 -0.062 0.000 1.038 507 D HN 0.454 nan 8.370 nan 0.000 0.499 508 E N 1.942 122.129 120.200 -0.021 0.000 2.290 508 E HA 0.045 4.409 4.350 0.024 0.000 0.277 508 E C -0.749 175.852 176.600 0.002 0.000 1.035 508 E CA -0.445 55.951 56.400 -0.007 0.000 0.873 508 E CB 0.721 30.416 29.700 -0.008 0.000 1.029 508 E HN -0.123 nan 8.360 nan 0.000 0.419 509 D N 3.965 124.366 120.400 0.002 0.000 2.304 509 D HA 0.080 4.734 4.640 0.024 0.000 0.250 509 D C -0.554 175.638 176.300 -0.180 0.000 1.107 509 D CA 0.221 54.211 54.000 -0.018 0.000 0.885 509 D CB 1.173 42.030 40.800 0.095 0.000 1.192 509 D HN 0.416 nan 8.370 nan 0.000 0.436 510 Q N 2.278 121.869 119.800 -0.348 0.000 2.644 510 Q HA 0.238 4.592 4.340 0.024 0.000 0.245 510 Q C -2.103 173.323 176.000 -0.957 0.000 1.064 510 Q CA -1.586 53.823 55.803 -0.657 0.000 0.860 510 Q CB 1.821 30.161 28.738 -0.663 0.000 1.145 510 Q HN 0.175 nan 8.270 nan 0.000 0.515 511 P HA 0.005 nan 4.420 nan 0.000 0.225 511 P C -0.680 176.324 177.300 -0.492 0.000 1.768 511 P CA -0.189 62.501 63.100 -0.685 0.000 0.943 511 P CB -0.451 31.032 31.700 -0.361 0.000 1.936 512 F N 2.917 122.678 119.950 -0.315 0.000 2.595 512 F HA 0.094 4.635 4.527 0.023 0.000 0.359 512 F C -0.941 174.746 175.800 -0.187 0.000 1.147 512 F CA -1.967 55.911 58.000 -0.203 0.000 1.341 512 F CB -0.997 37.903 39.000 -0.167 0.000 1.104 512 F HN 0.154 nan 8.300 nan 0.000 0.603 513 P HA 0.171 nan 4.420 nan 0.000 0.268 513 P C 0.266 177.577 177.300 0.017 0.000 1.204 513 P CA 0.994 64.110 63.100 0.026 0.000 0.768 513 P CB 1.233 32.947 31.700 0.024 0.000 0.842 514 A N 3.355 126.179 122.820 0.007 0.000 2.070 514 A HA -0.257 4.078 4.320 0.024 0.000 0.231 514 A C 0.774 178.363 177.584 0.008 0.000 0.501 514 A CA 1.968 54.013 52.037 0.013 0.000 1.119 514 A CB -2.715 16.293 19.000 0.012 0.000 1.430 514 A HN 0.688 nan 8.150 nan 0.000 0.706 515 V N -2.477 117.435 119.914 -0.003 0.000 2.361 515 V HA 0.586 4.720 4.120 0.024 0.000 0.252 515 V C -2.216 173.868 176.094 -0.017 0.000 0.986 515 V CA -1.237 61.062 62.300 -0.003 0.000 1.033 515 V CB 0.549 32.369 31.823 -0.005 0.000 1.282 515 V HN 0.551 nan 8.190 nan 0.000 0.514 516 P HA 0.322 nan 4.420 nan 0.000 0.274 516 P C -0.690 176.260 177.300 -0.585 0.000 1.231 516 P CA -0.092 62.686 63.100 -0.537 0.000 0.790 516 P CB 1.182 32.118 31.700 -1.274 0.000 0.951 517 K N 2.186 122.320 120.400 -0.443 0.000 2.357 517 K HA 0.226 4.560 4.320 0.024 0.000 0.251 517 K C -0.531 175.875 176.600 -0.322 0.000 1.069 517 K CA -0.271 55.926 56.287 -0.150 0.000 0.994 517 K CB 0.356 32.986 32.500 0.216 0.000 1.411 517 K HN 0.453 nan 8.250 nan 0.000 0.450 518 W N 1.385 122.466 121.300 -0.364 0.000 2.150 518 W HA 0.066 4.741 4.660 0.024 0.000 0.341 518 W C 1.219 177.784 176.519 0.077 0.000 1.276 518 W CA -0.520 56.661 57.345 -0.272 0.000 1.238 518 W CB 0.572 29.668 29.460 -0.608 0.000 1.128 518 W HN 0.379 nan 8.180 nan 0.000 0.581 519 S N 3.858 119.725 115.700 0.278 0.000 2.784 519 S HA -0.125 4.359 4.470 0.024 0.000 0.322 519 S C 1.339 176.089 174.600 0.251 0.000 1.234 519 S CA 0.021 58.328 58.200 0.178 0.000 1.064 519 S CB -0.125 63.123 63.200 0.081 0.000 0.787 519 S HN 0.499 nan 8.310 nan 0.000 0.506 520 I N 3.028 123.720 120.570 0.202 0.000 2.248 520 I HA -0.224 3.961 4.170 0.024 0.000 0.248 520 I C 2.082 178.231 176.117 0.053 0.000 1.107 520 I CA 1.521 62.930 61.300 0.180 0.000 1.373 520 I CB -0.421 37.615 38.000 0.060 0.000 1.055 520 I HN 0.559 nan 8.210 nan 0.000 0.418 521 K N 1.407 121.740 120.400 -0.112 0.000 2.057 521 K HA -0.159 4.176 4.320 0.024 0.000 0.206 521 K C 2.296 178.893 176.600 -0.005 0.000 1.050 521 K CA 1.729 57.871 56.287 -0.241 0.000 0.935 521 K CB -0.189 32.076 32.500 -0.392 0.000 0.715 521 K HN 0.401 nan 8.250 nan 0.000 0.439 522 K N -0.009 120.413 120.400 0.037 0.000 2.103 522 K HA -0.171 4.163 4.320 0.024 0.000 0.204 522 K C 1.883 178.508 176.600 0.041 0.000 1.052 522 K CA 0.911 57.206 56.287 0.014 0.000 0.945 522 K CB -0.096 32.386 32.500 -0.030 0.000 0.722 522 K HN 0.216 nan 8.250 nan 0.000 0.443 523 W N 2.047 123.331 121.300 -0.027 0.000 2.338 523 W HA -0.195 4.477 4.660 0.021 0.000 0.304 523 W C 1.611 178.109 176.519 -0.035 0.000 1.212 523 W CA 1.195 58.533 57.345 -0.013 0.000 1.264 523 W CB -0.562 28.959 29.460 0.101 0.000 1.142 523 W HN 0.109 nan 8.180 nan 0.000 0.512 524 L N 0.714 122.096 121.223 0.264 0.000 2.083 524 L HA -0.231 4.124 4.340 0.024 0.000 0.209 524 L C 2.268 179.204 176.870 0.110 0.000 1.083 524 L CA 1.972 56.906 54.840 0.156 0.000 0.752 524 L CB -0.927 41.209 42.059 0.127 0.000 0.899 524 L HN -0.032 nan 8.230 nan 0.000 0.433 525 S N -1.370 114.376 115.700 0.077 0.000 2.572 525 S HA 0.236 4.721 4.470 0.024 0.000 0.228 525 S C 0.545 175.127 174.600 -0.029 0.000 0.963 525 S CA -0.521 57.696 58.200 0.028 0.000 0.939 525 S CB -0.429 62.790 63.200 0.031 0.000 0.804 525 S HN 0.146 nan 8.310 nan 0.000 0.480 526 L N 2.434 123.625 121.223 -0.053 0.000 2.525 526 L HA 0.187 4.541 4.340 0.024 0.000 0.278 526 L C -2.142 174.682 176.870 -0.077 0.000 1.218 526 L CA -1.597 53.161 54.840 -0.138 0.000 0.878 526 L CB -0.186 41.755 42.059 -0.197 0.000 1.127 526 L HN 0.041 nan 8.230 nan 0.000 0.492 527 P HA -0.097 nan 4.420 nan 0.000 0.255 527 P C 0.777 178.059 177.300 -0.030 0.000 1.151 527 P CA 1.345 64.411 63.100 -0.057 0.000 0.767 527 P CB 0.317 31.976 31.700 -0.067 0.000 0.736 528 G N 2.228 111.021 108.800 -0.012 0.000 2.268 528 G HA2 -0.266 3.709 3.960 0.024 0.000 0.240 528 G HA3 -0.266 3.709 3.960 0.024 0.000 0.240 528 G C 0.272 175.183 174.900 0.018 0.000 1.010 528 G CA 0.018 45.120 45.100 0.004 0.000 0.618 528 G HN 0.606 nan 8.290 nan 0.000 0.516 529 E N 1.340 121.556 120.200 0.027 0.000 2.344 529 E HA 0.557 4.922 4.350 0.024 0.000 0.270 529 E C 1.453 178.079 176.600 0.043 0.000 1.021 529 E CA 0.918 57.350 56.400 0.053 0.000 0.887 529 E CB 0.821 30.580 29.700 0.098 0.000 0.997 529 E HN 0.564 nan 8.360 nan 0.000 0.429 530 T N 0.671 115.249 114.554 0.039 0.000 2.993 530 T HA 0.296 4.660 4.350 0.024 0.000 0.260 530 T C 0.639 175.354 174.700 0.026 0.000 0.939 530 T CA -0.429 61.690 62.100 0.031 0.000 0.886 530 T CB 0.103 68.987 68.868 0.026 0.000 1.209 530 T HN 0.246 nan 8.240 nan 0.000 0.518 531 R N 2.723 123.237 120.500 0.023 0.000 2.738 531 R HA 0.361 4.716 4.340 0.024 0.000 0.268 531 R C -2.414 173.879 176.300 -0.012 0.000 1.062 531 R CA -1.597 54.507 56.100 0.007 0.000 1.158 531 R CB 0.053 30.352 30.300 -0.001 0.000 1.046 531 R HN 0.286 nan 8.270 nan 0.000 0.493 532 P HA 0.025 nan 4.420 nan 0.000 0.272 532 P C -1.003 176.245 177.300 -0.087 0.000 1.230 532 P CA 0.017 63.091 63.100 -0.043 0.000 0.788 532 P CB 0.694 32.370 31.700 -0.039 0.000 0.949 533 L N 2.976 124.132 121.223 -0.111 0.000 2.349 533 L HA 0.559 4.913 4.340 0.024 0.000 0.278 533 L C -0.914 175.843 176.870 -0.189 0.000 0.996 533 L CA -0.658 54.079 54.840 -0.172 0.000 0.825 533 L CB 0.617 42.568 42.059 -0.180 0.000 1.243 533 L HN 0.240 nan 8.230 nan 0.000 0.412 534 I N 5.720 126.178 120.570 -0.187 0.000 2.497 534 I HA 0.242 4.427 4.170 0.024 0.000 0.284 534 I C -0.844 175.195 176.117 -0.129 0.000 1.060 534 I CA -0.503 60.679 61.300 -0.195 0.000 1.071 534 I CB 1.893 39.832 38.000 -0.101 0.000 1.216 534 I HN 0.431 nan 8.210 nan 0.000 0.442 535 L N 5.774 126.890 121.223 -0.178 0.000 2.477 535 L HA 0.032 4.386 4.340 0.024 0.000 0.272 535 L C 1.529 178.459 176.870 0.099 0.000 1.157 535 L CA -0.100 54.684 54.840 -0.093 0.000 0.889 535 L CB 0.430 42.407 42.059 -0.138 0.000 1.158 535 L HN 0.863 nan 8.230 nan 0.000 0.473 536 C N 0.378 119.716 119.300 0.064 0.000 2.432 536 C HA 0.105 4.580 4.460 0.024 0.000 0.282 536 C C 0.682 175.788 174.990 0.193 0.000 1.388 536 C CA -0.143 58.944 59.018 0.114 0.000 1.777 536 C CB -1.135 26.592 27.740 -0.022 0.000 1.882 536 C HN 0.840 nan 8.230 nan 0.000 0.520 537 E N -0.775 119.475 120.200 0.084 0.000 2.321 537 E HA 0.606 4.970 4.350 0.024 0.000 0.281 537 E C -1.264 175.262 176.600 -0.123 0.000 0.910 537 E CA -0.389 56.025 56.400 0.023 0.000 0.770 537 E CB 2.026 31.561 29.700 -0.275 0.000 1.225 537 E HN 0.573 nan 8.360 nan 0.000 0.417 538 Y N -0.408 119.843 120.300 -0.082 0.000 2.689 538 Y HA 0.635 5.200 4.550 0.025 0.000 0.333 538 Y C -0.694 175.339 175.900 0.222 0.000 1.208 538 Y CA -0.977 57.099 58.100 -0.040 0.000 1.055 538 Y CB 0.558 38.858 38.460 -0.266 0.000 1.304 538 Y HN 0.645 nan 8.280 nan 0.000 0.455 539 A N 1.844 124.688 122.820 0.040 0.000 2.416 539 A HA -0.260 4.075 4.320 0.024 0.000 0.293 539 A C -0.102 177.599 177.584 0.194 0.000 1.452 539 A CA 1.054 53.133 52.037 0.070 0.000 0.738 539 A CB -2.637 16.333 19.000 -0.049 0.000 1.123 539 A HN 1.209 nan 8.150 nan 0.000 0.389 540 H N 0.403 119.631 119.070 0.264 0.000 3.286 540 H HA 0.197 4.767 4.556 0.024 0.000 0.245 540 H C 1.128 176.515 175.328 0.099 0.000 0.932 540 H CA 0.916 57.125 56.048 0.269 0.000 1.407 540 H CB 0.246 30.064 29.762 0.094 0.000 1.540 540 H HN 0.807 nan 8.280 nan 0.000 0.516 541 A N 6.736 129.472 122.820 -0.141 0.000 3.019 541 A HA 0.075 4.410 4.320 0.024 0.000 0.262 541 A C 0.827 178.243 177.584 -0.280 0.000 1.509 541 A CA -0.390 51.524 52.037 -0.206 0.000 1.159 541 A CB -0.572 18.277 19.000 -0.251 0.000 1.042 541 A HN 0.785 nan 8.150 nan 0.000 0.641 542 M N 1.537 120.988 119.600 -0.248 0.000 2.108 542 M HA 0.456 4.951 4.480 0.024 0.000 0.347 542 M C 0.975 177.132 176.300 -0.239 0.000 1.326 542 M CA 1.168 56.333 55.300 -0.226 0.000 1.126 542 M CB -0.077 32.472 32.600 -0.084 0.000 1.606 542 M HN 0.838 nan 8.290 nan 0.000 0.462 543 G N 4.301 112.946 108.800 -0.258 0.000 2.547 543 G HA2 -0.334 3.640 3.960 0.024 0.000 0.271 543 G HA3 -0.334 3.640 3.960 0.024 0.000 0.271 543 G C -0.127 174.344 174.900 -0.715 0.000 1.209 543 G CA -0.037 44.765 45.100 -0.497 0.000 0.959 543 G HN 0.814 nan 8.290 nan 0.000 0.563 544 N N 1.495 119.589 118.700 -1.011 0.000 2.434 544 N HA 0.444 5.199 4.740 0.024 0.000 0.273 544 N C 0.016 175.310 175.510 -0.361 0.000 1.210 544 N CA 1.156 53.818 53.050 -0.647 0.000 0.992 544 N CB 0.286 38.414 38.487 -0.599 0.000 1.355 544 N HN 0.763 nan 8.380 nan 0.000 0.495 545 S N 1.834 117.397 115.700 -0.228 0.000 2.911 545 S HA 0.587 5.071 4.470 0.024 0.000 0.319 545 S C 0.073 174.614 174.600 -0.098 0.000 1.154 545 S CA -0.417 57.691 58.200 -0.154 0.000 0.857 545 S CB 0.286 63.409 63.200 -0.129 0.000 1.279 545 S HN 0.407 nan 8.310 nan 0.000 0.593 546 L N 0.244 121.440 121.223 -0.045 0.000 4.406 546 L HA -0.070 4.284 4.340 0.024 0.000 0.406 546 L C 0.436 177.350 176.870 0.073 0.000 1.133 546 L CA 0.808 55.652 54.840 0.005 0.000 0.974 546 L CB -1.610 40.370 42.059 -0.132 0.000 2.152 546 L HN 0.722 nan 8.230 nan 0.000 0.736 547 G N -0.591 108.222 108.800 0.021 0.000 2.343 547 G HA2 0.476 4.450 3.960 0.024 0.000 0.254 547 G HA3 0.476 4.450 3.960 0.024 0.000 0.254 547 G C 1.187 176.129 174.900 0.069 0.000 1.277 547 G CA 0.166 45.256 45.100 -0.017 0.000 0.909 547 G HN 1.421 nan 8.290 nan 0.000 0.502 548 G N 1.668 110.504 108.800 0.061 0.000 2.136 548 G HA2 -0.304 3.671 3.960 0.024 0.000 0.242 548 G HA3 -0.304 3.671 3.960 0.024 0.000 0.242 548 G C 0.866 175.955 174.900 0.315 0.000 0.989 548 G CA 0.652 45.837 45.100 0.142 0.000 0.682 548 G HN 0.793 nan 8.290 nan 0.000 0.522 549 F N 1.451 121.534 119.950 0.222 0.000 2.171 549 F HA 0.192 4.733 4.527 0.024 0.000 0.300 549 F C 2.570 178.606 175.800 0.393 0.000 1.090 549 F CA 2.276 60.491 58.000 0.357 0.000 1.293 549 F CB -0.285 38.863 39.000 0.247 0.000 1.013 549 F HN 0.336 nan 8.300 nan 0.000 0.486 550 A N -0.304 122.701 122.820 0.310 0.000 2.019 550 A HA -0.218 4.117 4.320 0.024 0.000 0.219 550 A C 2.275 179.902 177.584 0.071 0.000 1.164 550 A CA 1.642 53.792 52.037 0.188 0.000 0.644 550 A CB -0.751 18.359 19.000 0.183 0.000 0.805 550 A HN 0.428 nan 8.150 nan 0.000 0.449 551 K N -1.622 118.797 120.400 0.031 0.000 2.097 551 K HA -0.172 4.162 4.320 0.024 0.000 0.206 551 K C 1.666 178.047 176.600 -0.365 0.000 1.049 551 K CA 1.596 57.805 56.287 -0.131 0.000 0.933 551 K CB -0.290 32.122 32.500 -0.148 0.000 0.717 551 K HN 0.580 nan 8.250 nan 0.000 0.442 552 Y N -1.034 119.024 120.300 -0.403 0.000 2.163 552 Y HA -0.215 4.349 4.550 0.023 0.000 0.288 552 Y C 1.888 176.908 175.900 -1.467 0.000 1.136 552 Y CA 1.528 59.036 58.100 -0.987 0.000 1.147 552 Y CB -0.375 37.560 38.460 -0.874 0.000 0.987 552 Y HN 0.162 nan 8.280 nan 0.000 0.509 553 W N -0.184 120.777 121.300 -0.565 0.000 2.519 553 W HA -0.118 4.557 4.660 0.025 0.000 0.266 553 W C 2.503 178.903 176.519 -0.199 0.000 1.253 553 W CA 0.903 58.076 57.345 -0.287 0.000 1.274 553 W CB -0.264 29.104 29.460 -0.152 0.000 1.114 553 W HN 0.039 nan 8.180 nan 0.000 0.596 554 Q N 0.736 120.501 119.800 -0.059 0.000 2.046 554 Q HA -0.149 4.205 4.340 0.024 0.000 0.200 554 Q C 2.255 178.208 176.000 -0.078 0.000 0.975 554 Q CA 1.984 57.763 55.803 -0.039 0.000 0.836 554 Q CB -0.582 28.133 28.738 -0.039 0.000 0.896 554 Q HN 0.274 nan 8.270 nan 0.000 0.428 555 A N 0.080 122.746 122.820 -0.256 0.000 1.898 555 A HA -0.141 4.193 4.320 0.024 0.000 0.216 555 A C 1.852 179.373 177.584 -0.105 0.000 1.181 555 A CA 1.187 53.070 52.037 -0.256 0.000 0.620 555 A CB -0.802 17.892 19.000 -0.510 0.000 0.819 555 A HN 0.343 nan 8.150 nan 0.000 0.442 556 F N 0.178 120.005 119.950 -0.205 0.000 2.095 556 F HA -0.136 4.405 4.527 0.024 0.000 0.298 556 F C 2.540 178.287 175.800 -0.088 0.000 1.104 556 F CA 1.432 59.282 58.000 -0.249 0.000 1.232 556 F CB -0.823 37.851 39.000 -0.543 0.000 0.987 556 F HN 0.160 nan 8.300 nan 0.000 0.475 557 R N -0.318 120.277 120.500 0.157 0.000 2.090 557 R HA -0.141 4.213 4.340 0.024 0.000 0.228 557 R C 2.180 178.528 176.300 0.080 0.000 1.110 557 R CA 1.174 57.335 56.100 0.101 0.000 0.973 557 R CB -0.507 29.843 30.300 0.083 0.000 0.869 557 R HN 0.370 nan 8.270 nan 0.000 0.440 558 Q N -0.184 119.685 119.800 0.115 0.000 2.172 558 Q HA -0.082 4.272 4.340 0.024 0.000 0.200 558 Q C -0.445 175.594 176.000 0.065 0.000 0.964 558 Q CA 1.034 56.895 55.803 0.097 0.000 0.855 558 Q CB 0.331 29.158 28.738 0.149 0.000 0.918 558 Q HN 0.199 nan 8.270 nan 0.000 0.444 559 Y N 0.060 120.349 120.300 -0.017 0.000 2.353 559 Y HA 0.255 4.819 4.550 0.022 0.000 0.340 559 Y C -1.774 174.115 175.900 -0.019 0.000 0.972 559 Y CA -2.850 55.241 58.100 -0.016 0.000 1.157 559 Y CB 1.382 39.835 38.460 -0.012 0.000 1.157 559 Y HN 0.117 nan 8.280 nan 0.000 0.495 560 P HA -0.180 nan 4.420 nan 0.000 0.215 560 P C 1.124 178.439 177.300 0.024 0.000 1.157 560 P CA 1.899 65.009 63.100 0.016 0.000 0.874 560 P CB 0.317 32.008 31.700 -0.014 0.000 0.790 561 R N -1.323 119.211 120.500 0.056 0.000 2.310 561 R HA 0.149 4.503 4.340 0.024 0.000 0.202 561 R C 0.398 176.707 176.300 0.015 0.000 0.933 561 R CA -0.029 56.089 56.100 0.030 0.000 1.054 561 R CB -0.354 29.971 30.300 0.041 0.000 0.985 561 R HN 0.233 nan 8.270 nan 0.000 0.489 562 L N 1.836 123.094 121.223 0.058 0.000 2.295 562 L HA 0.142 4.496 4.340 0.024 0.000 0.288 562 L C 0.458 177.266 176.870 -0.104 0.000 1.079 562 L CA 0.220 55.068 54.840 0.012 0.000 0.830 562 L CB 1.143 43.269 42.059 0.112 0.000 1.200 562 L HN 0.054 nan 8.230 nan 0.000 0.438 563 Q N 2.943 122.585 119.800 -0.264 0.000 2.206 563 Q HA 0.330 4.684 4.340 0.024 0.000 0.265 563 Q C 0.759 176.359 176.000 -0.667 0.000 0.866 563 Q CA 0.043 55.632 55.803 -0.357 0.000 1.073 563 Q CB 1.155 29.762 28.738 -0.218 0.000 1.165 563 Q HN 0.960 nan 8.270 nan 0.000 0.465 564 G N -0.292 107.707 108.800 -1.334 0.000 2.466 564 G HA2 0.057 4.031 3.960 0.024 0.000 0.218 564 G HA3 0.057 4.031 3.960 0.024 0.000 0.218 564 G C -0.192 173.817 174.900 -1.485 0.000 1.237 564 G CA -0.728 43.080 45.100 -2.153 0.000 0.954 564 G HN 0.630 nan 8.290 nan 0.000 0.580 565 G N -2.289 105.919 108.800 -0.987 0.000 2.349 565 G HA2 0.637 4.611 3.960 0.024 0.000 0.294 565 G HA3 0.637 4.611 3.960 0.024 0.000 0.294 565 G C -1.734 173.118 174.900 -0.080 0.000 1.380 565 G CA -0.268 44.529 45.100 -0.505 0.000 0.811 565 G HN 1.129 nan 8.290 nan 0.000 0.519 566 F N 0.847 120.991 119.950 0.323 0.000 2.402 566 F HA 0.503 5.043 4.527 0.023 0.000 0.355 566 F C 0.817 176.881 175.800 0.440 0.000 1.123 566 F CA -0.748 57.480 58.000 0.380 0.000 1.021 566 F CB 1.943 41.072 39.000 0.215 0.000 1.160 566 F HN 0.235 nan 8.300 nan 0.000 0.451 567 V N 3.351 123.533 119.914 0.446 0.000 2.763 567 V HA -0.142 3.992 4.120 0.024 0.000 0.306 567 V C -0.163 176.074 176.094 0.238 0.000 1.059 567 V CA -0.394 61.981 62.300 0.126 0.000 1.138 567 V CB 0.577 32.461 31.823 0.101 0.000 0.940 567 V HN 0.750 nan 8.190 nan 0.000 0.489 568 W N 6.529 127.894 121.300 0.109 0.000 2.294 568 W HA 0.456 5.130 4.660 0.023 0.000 0.314 568 W C -0.758 175.760 176.519 -0.001 0.000 1.044 568 W CA -0.581 56.862 57.345 0.163 0.000 1.284 568 W CB 1.380 31.089 29.460 0.415 0.000 1.231 568 W HN 0.938 nan 8.180 nan 0.000 0.419 569 D N 2.707 122.863 120.400 -0.406 0.000 2.895 569 D HA 0.104 4.758 4.640 0.024 0.000 0.320 569 D C 0.793 176.887 176.300 -0.343 0.000 1.249 569 D CA -0.543 53.100 54.000 -0.595 0.000 0.997 569 D CB 0.162 40.070 40.800 -1.487 0.000 1.430 569 D HN 0.409 nan 8.370 nan 0.000 0.558 570 W N 0.386 121.394 121.300 -0.487 0.000 2.413 570 W HA 0.137 4.812 4.660 0.024 0.000 0.315 570 W C -0.173 176.147 176.519 -0.332 0.000 1.186 570 W CA 1.028 58.141 57.345 -0.386 0.000 1.326 570 W CB 0.278 29.536 29.460 -0.338 0.000 1.153 570 W HN 0.130 nan 8.180 nan 0.000 0.489 571 V N 2.771 122.446 119.914 -0.398 0.000 2.656 571 V HA 0.221 4.355 4.120 0.024 0.000 0.307 571 V C -0.826 175.081 176.094 -0.313 0.000 1.051 571 V CA -0.767 61.267 62.300 -0.443 0.000 0.893 571 V CB 1.450 33.133 31.823 -0.232 0.000 0.999 571 V HN -0.095 nan 8.190 nan 0.000 0.426 572 D N 3.939 124.159 120.400 -0.301 0.000 2.525 572 D HA 0.076 4.731 4.640 0.024 0.000 0.235 572 D C 0.274 176.433 176.300 -0.236 0.000 1.137 572 D CA 0.742 54.619 54.000 -0.204 0.000 0.868 572 D CB 0.708 41.478 40.800 -0.050 0.000 1.180 572 D HN 0.596 nan 8.370 nan 0.000 0.465 573 Q N 1.011 120.612 119.800 -0.331 0.000 3.135 573 Q HA 0.173 4.527 4.340 0.024 0.000 0.344 573 Q C -0.336 175.643 176.000 -0.035 0.000 1.321 573 Q CA -0.374 55.025 55.803 -0.674 0.000 1.050 573 Q CB 0.164 28.617 28.738 -0.475 0.000 1.498 573 Q HN 0.347 nan 8.270 nan 0.000 0.503 574 S N -0.010 115.765 115.700 0.124 0.000 2.525 574 S HA 0.652 5.136 4.470 0.024 0.000 0.290 574 S C -0.148 174.616 174.600 0.274 0.000 1.152 574 S CA -0.772 57.607 58.200 0.299 0.000 1.072 574 S CB 1.459 64.819 63.200 0.266 0.000 1.027 574 S HN 0.313 nan 8.310 nan 0.000 0.500 575 L N 1.943 123.237 121.223 0.119 0.000 2.332 575 L HA 0.556 4.911 4.340 0.024 0.000 0.269 575 L C -0.158 176.608 176.870 -0.174 0.000 1.016 575 L CA -1.263 53.528 54.840 -0.082 0.000 0.809 575 L CB 0.993 42.884 42.059 -0.280 0.000 1.280 575 L HN 0.543 nan 8.230 nan 0.000 0.447 576 I N 1.929 122.332 120.570 -0.278 0.000 2.371 576 I HA 0.259 4.443 4.170 0.024 0.000 0.290 576 I C 0.044 175.727 176.117 -0.723 0.000 1.028 576 I CA -0.040 60.959 61.300 -0.501 0.000 1.345 576 I CB 0.945 38.662 38.000 -0.471 0.000 1.407 576 I HN 0.560 nan 8.210 nan 0.000 0.501 577 K N 5.491 125.200 120.400 -1.153 0.000 2.340 577 K HA 0.556 4.891 4.320 0.024 0.000 0.244 577 K C -1.500 174.252 176.600 -1.413 0.000 0.973 577 K CA -0.701 54.802 56.287 -1.307 0.000 0.828 577 K CB 2.391 33.854 32.500 -1.729 0.000 1.226 577 K HN 0.261 nan 8.250 nan 0.000 0.437 578 Y N 0.832 120.839 120.300 -0.487 0.000 2.393 578 Y HA 0.133 4.697 4.550 0.024 0.000 0.341 578 Y C 0.199 176.135 175.900 0.061 0.000 0.988 578 Y CA -1.037 56.955 58.100 -0.181 0.000 1.078 578 Y CB 1.242 39.635 38.460 -0.112 0.000 1.203 578 Y HN 0.678 nan 8.280 nan 0.000 0.453 579 D N -0.302 120.325 120.400 0.379 0.000 2.433 579 D HA 0.051 4.705 4.640 0.024 0.000 0.255 579 D C 0.928 177.333 176.300 0.175 0.000 1.226 579 D CA -0.435 53.751 54.000 0.309 0.000 1.015 579 D CB 0.560 41.511 40.800 0.251 0.000 1.091 579 D HN 0.728 nan 8.370 nan 0.000 0.527 580 E N -0.432 119.836 120.200 0.113 0.000 2.171 580 E HA -0.310 4.055 4.350 0.024 0.000 0.197 580 E C 0.985 177.617 176.600 0.054 0.000 0.997 580 E CA 1.119 57.559 56.400 0.066 0.000 0.810 580 E CB -0.508 29.217 29.700 0.042 0.000 0.738 580 E HN 0.335 nan 8.360 nan 0.000 0.467 581 N N 0.450 119.190 118.700 0.067 0.000 2.467 581 N HA 0.013 4.768 4.740 0.024 0.000 0.184 581 N C 0.971 176.515 175.510 0.057 0.000 1.106 581 N CA 1.051 54.133 53.050 0.053 0.000 0.892 581 N CB 0.953 39.472 38.487 0.054 0.000 0.969 581 N HN 0.478 nan 8.380 nan 0.000 0.454 582 G N 0.952 109.806 108.800 0.089 0.000 2.132 582 G HA2 -0.246 3.728 3.960 0.024 0.000 0.228 582 G HA3 -0.246 3.728 3.960 0.024 0.000 0.228 582 G C -0.431 174.580 174.900 0.185 0.000 1.000 582 G CA -0.365 44.781 45.100 0.077 0.000 0.693 582 G HN 0.322 nan 8.290 nan 0.000 0.515 583 N N 1.617 120.449 118.700 0.219 0.000 2.479 583 N HA 0.580 5.334 4.740 0.024 0.000 0.285 583 N C -2.532 173.125 175.510 0.245 0.000 1.075 583 N CA -1.275 51.906 53.050 0.219 0.000 0.967 583 N CB 1.617 40.200 38.487 0.160 0.000 1.137 583 N HN 0.115 nan 8.380 nan 0.000 0.472 584 P HA 0.261 nan 4.420 nan 0.000 0.285 584 P C -0.831 176.419 177.300 -0.084 0.000 1.259 584 P CA -0.498 62.496 63.100 -0.177 0.000 0.794 584 P CB 0.443 32.052 31.700 -0.150 0.000 0.940 585 W N 0.237 121.315 121.300 -0.369 0.000 3.032 585 W HA 0.491 5.165 4.660 0.024 0.000 0.335 585 W C -1.232 175.121 176.519 -0.276 0.000 1.154 585 W CA -1.164 55.966 57.345 -0.357 0.000 1.204 585 W CB 0.378 29.389 29.460 -0.748 0.000 1.416 585 W HN 0.107 nan 8.180 nan 0.000 0.521 586 S N 1.793 117.569 115.700 0.127 0.000 2.488 586 S HA 0.500 4.984 4.470 0.024 0.000 0.278 586 S C 0.222 175.000 174.600 0.297 0.000 1.259 586 S CA -0.167 58.108 58.200 0.126 0.000 1.061 586 S CB 0.634 63.955 63.200 0.201 0.000 0.910 586 S HN 0.587 nan 8.310 nan 0.000 0.491 587 A N 3.144 126.011 122.820 0.078 0.000 2.337 587 A HA 0.863 5.198 4.320 0.024 0.000 0.331 587 A C -0.603 177.232 177.584 0.417 0.000 1.137 587 A CA -0.782 51.335 52.037 0.133 0.000 0.807 587 A CB 0.677 19.420 19.000 -0.428 0.000 1.250 587 A HN 0.839 nan 8.150 nan 0.000 0.468 588 Y N -0.487 120.131 120.300 0.529 0.000 3.048 588 Y HA 0.772 5.336 4.550 0.024 0.000 0.305 588 Y C 0.707 176.997 175.900 0.651 0.000 1.538 588 Y CA -1.343 57.094 58.100 0.563 0.000 1.082 588 Y CB -0.070 38.544 38.460 0.258 0.000 1.388 588 Y HN 0.867 nan 8.280 nan 0.000 0.557 589 G N -0.027 109.193 108.800 0.700 0.000 2.202 589 G HA2 0.376 4.351 3.960 0.024 0.000 0.251 589 G HA3 0.376 4.351 3.960 0.024 0.000 0.251 589 G C 0.842 176.062 174.900 0.533 0.000 1.219 589 G CA 0.533 45.964 45.100 0.552 0.000 0.943 589 G HN 1.915 nan 8.290 nan 0.000 0.465 590 G N 2.603 111.691 108.800 0.481 0.000 2.349 590 G HA2 -0.263 3.712 3.960 0.024 0.000 0.213 590 G HA3 -0.263 3.712 3.960 0.024 0.000 0.213 590 G C 0.888 175.967 174.900 0.299 0.000 1.044 590 G CA 0.472 45.781 45.100 0.347 0.000 0.633 590 G HN 0.613 nan 8.290 nan 0.000 0.506 591 D N 0.380 120.936 120.400 0.259 0.000 2.407 591 D HA 0.129 4.783 4.640 0.024 0.000 0.234 591 D C 0.976 177.087 176.300 -0.315 0.000 1.029 591 D CA 0.609 54.593 54.000 -0.027 0.000 0.937 591 D CB -0.278 40.451 40.800 -0.118 0.000 0.882 591 D HN 0.475 nan 8.370 nan 0.000 0.531 592 F N -1.053 119.000 119.950 0.171 0.000 2.735 592 F HA 0.301 4.842 4.527 0.024 0.000 0.308 592 F C 1.736 177.608 175.800 0.120 0.000 1.112 592 F CA -0.369 57.700 58.000 0.115 0.000 1.235 592 F CB 0.687 39.754 39.000 0.111 0.000 1.027 592 F HN -0.055 nan 8.300 nan 0.000 0.528 593 G N 0.854 109.799 108.800 0.242 0.000 2.155 593 G HA2 -0.292 3.682 3.960 0.024 0.000 0.257 593 G HA3 -0.292 3.682 3.960 0.024 0.000 0.257 593 G C -0.152 174.876 174.900 0.214 0.000 0.983 593 G CA 0.298 45.512 45.100 0.190 0.000 0.676 593 G HN 0.471 nan 8.290 nan 0.000 0.528 594 D N 0.249 120.822 120.400 0.289 0.000 2.383 594 D HA 0.473 5.128 4.640 0.024 0.000 0.252 594 D C 0.018 176.436 176.300 0.195 0.000 1.166 594 D CA 0.785 54.944 54.000 0.265 0.000 0.879 594 D CB 1.659 42.671 40.800 0.353 0.000 1.164 594 D HN 0.257 nan 8.370 nan 0.000 0.462 595 T N 1.673 116.312 114.554 0.143 0.000 3.105 595 T HA 0.438 4.802 4.350 0.024 0.000 0.321 595 T C -2.743 171.992 174.700 0.060 0.000 1.135 595 T CA -1.178 60.979 62.100 0.095 0.000 1.053 595 T CB 1.217 70.140 68.868 0.091 0.000 1.133 595 T HN 0.227 nan 8.240 nan 0.000 0.463 596 P HA 0.500 nan 4.420 nan 0.000 0.272 596 P C -0.936 176.357 177.300 -0.012 0.000 1.230 596 P CA -0.405 62.696 63.100 0.002 0.000 0.788 596 P CB 0.445 32.121 31.700 -0.040 0.000 0.949 597 N N -1.578 117.118 118.700 -0.006 0.000 2.647 597 N HA 0.337 5.092 4.740 0.024 0.000 0.266 597 N C -1.215 174.267 175.510 -0.047 0.000 1.373 597 N CA -0.800 52.233 53.050 -0.028 0.000 0.807 597 N CB 1.091 39.652 38.487 0.124 0.000 1.513 597 N HN 0.119 nan 8.380 nan 0.000 0.505 598 D N -0.021 120.326 120.400 -0.088 0.000 2.772 598 D HA 0.152 4.806 4.640 0.024 0.000 0.272 598 D C 0.276 176.800 176.300 0.374 0.000 1.314 598 D CA -0.181 53.833 54.000 0.023 0.000 0.835 598 D CB 0.338 40.986 40.800 -0.253 0.000 1.080 598 D HN 0.714 nan 8.370 nan 0.000 0.482 599 R N 0.940 121.655 120.500 0.357 0.000 3.682 599 R HA -0.328 4.026 4.340 0.024 0.000 0.519 599 R C 1.228 177.609 176.300 0.135 0.000 0.241 599 R CA 1.450 57.771 56.100 0.369 0.000 1.619 599 R CB -1.537 28.894 30.300 0.219 0.000 0.923 599 R HN 0.181 nan 8.270 nan 0.000 0.598 600 Q N 1.415 120.931 119.800 -0.473 0.000 2.482 600 Q HA -0.013 4.341 4.340 0.024 0.000 0.209 600 Q C 1.569 177.299 176.000 -0.450 0.000 0.961 600 Q CA 1.284 56.565 55.803 -0.871 0.000 0.945 600 Q CB 0.035 28.003 28.738 -1.284 0.000 1.012 600 Q HN 0.596 nan 8.270 nan 0.000 0.515 601 F N 1.629 121.485 119.950 -0.158 0.000 2.583 601 F HA -0.117 4.424 4.527 0.024 0.000 0.297 601 F C 2.140 177.922 175.800 -0.029 0.000 1.131 601 F CA 0.990 58.991 58.000 0.002 0.000 1.467 601 F CB -0.198 38.868 39.000 0.110 0.000 1.097 601 F HN 0.425 nan 8.300 nan 0.000 0.586 602 C N -1.828 117.275 119.300 -0.328 0.000 2.594 602 C HA 0.234 4.708 4.460 0.024 0.000 0.265 602 C C 1.124 175.951 174.990 -0.271 0.000 1.351 602 C CA -0.484 58.170 59.018 -0.605 0.000 1.744 602 C CB -1.489 25.349 27.740 -1.503 0.000 1.890 602 C HN 0.166 nan 8.230 nan 0.000 0.551 603 M N 2.970 122.448 119.600 -0.204 0.000 2.152 603 M HA 0.273 4.768 4.480 0.024 0.000 0.354 603 M C -0.518 175.677 176.300 -0.174 0.000 1.173 603 M CA 0.340 55.544 55.300 -0.159 0.000 1.110 603 M CB -0.199 32.344 32.600 -0.095 0.000 1.366 603 M HN 0.370 nan 8.290 nan 0.000 0.415 604 N N 0.812 119.391 118.700 -0.202 0.000 2.377 604 N HA 0.221 4.976 4.740 0.024 0.000 0.259 604 N C 0.285 175.559 175.510 -0.394 0.000 1.332 604 N CA -0.527 52.350 53.050 -0.287 0.000 0.877 604 N CB 1.136 39.500 38.487 -0.205 0.000 1.299 604 N HN 0.637 nan 8.380 nan 0.000 0.501 605 G N -0.097 108.412 108.800 -0.484 0.000 2.507 605 G HA2 0.348 4.322 3.960 0.024 0.000 0.271 605 G HA3 0.348 4.322 3.960 0.024 0.000 0.271 605 G C 0.639 175.029 174.900 -0.851 0.000 1.189 605 G CA -0.551 44.173 45.100 -0.627 0.000 0.859 605 G HN 0.161 nan 8.290 nan 0.000 0.542 606 L N 0.079 120.860 121.223 -0.737 0.000 2.418 606 L HA 0.148 4.502 4.340 0.024 0.000 0.218 606 L C 0.789 177.195 176.870 -0.773 0.000 1.125 606 L CA 0.248 54.693 54.840 -0.657 0.000 0.835 606 L CB -0.194 41.634 42.059 -0.385 0.000 0.953 606 L HN 0.401 nan 8.230 nan 0.000 0.454 607 V N -5.119 114.240 119.914 -0.925 0.000 2.914 607 V HA 0.494 4.629 4.120 0.024 0.000 0.314 607 V C -0.166 175.656 176.094 -0.453 0.000 1.084 607 V CA -1.260 60.676 62.300 -0.607 0.000 0.963 607 V CB 1.580 33.002 31.823 -0.668 0.000 1.025 607 V HN -0.152 nan 8.190 nan 0.000 0.432 608 F N 1.612 121.586 119.950 0.040 0.000 2.480 608 F HA 0.545 5.087 4.527 0.024 0.000 0.319 608 F C 1.958 177.724 175.800 -0.057 0.000 1.230 608 F CA 0.643 58.684 58.000 0.069 0.000 1.285 608 F CB 0.566 39.588 39.000 0.037 0.000 1.208 608 F HN 0.778 nan 8.300 nan 0.000 0.579 609 A N 0.572 123.513 122.820 0.203 0.000 2.024 609 A HA -0.206 4.128 4.320 0.024 0.000 0.220 609 A C 1.531 179.124 177.584 0.015 0.000 1.164 609 A CA 1.884 53.984 52.037 0.106 0.000 0.643 609 A CB -0.997 18.091 19.000 0.147 0.000 0.806 609 A HN 0.767 nan 8.150 nan 0.000 0.451 610 D N -3.150 117.271 120.400 0.035 0.000 2.342 610 D HA 0.195 4.850 4.640 0.024 0.000 0.221 610 D C 0.585 176.902 176.300 0.028 0.000 1.101 610 D CA -0.167 53.827 54.000 -0.010 0.000 0.837 610 D CB -0.062 40.726 40.800 -0.019 0.000 0.938 610 D HN 0.178 nan 8.370 nan 0.000 0.508 611 R N -1.420 119.101 120.500 0.035 0.000 3.919 611 R HA -0.115 4.239 4.340 0.024 0.000 0.412 611 R C -0.498 175.832 176.300 0.051 0.000 1.102 611 R CA 1.031 57.139 56.100 0.013 0.000 1.082 611 R CB -3.234 27.106 30.300 0.068 0.000 1.671 611 R HN 0.237 nan 8.270 nan 0.000 0.540 612 T N 2.264 116.893 114.554 0.124 0.000 2.834 612 T HA 0.323 4.687 4.350 0.024 0.000 0.298 612 T C -2.278 172.557 174.700 0.225 0.000 0.966 612 T CA -0.890 61.313 62.100 0.172 0.000 1.141 612 T CB 1.020 69.988 68.868 0.167 0.000 0.905 612 T HN -0.093 nan 8.240 nan 0.000 0.535 613 P HA 0.086 nan 4.420 nan 0.000 0.268 613 P C 0.114 177.453 177.300 0.065 0.000 1.204 613 P CA -0.125 63.001 63.100 0.043 0.000 0.768 613 P CB 0.323 32.049 31.700 0.043 0.000 0.842 614 H N 3.731 122.627 119.070 -0.289 0.000 2.615 614 H HA 0.058 4.628 4.556 0.024 0.000 0.363 614 H C -1.282 173.957 175.328 -0.148 0.000 1.148 614 H CA -1.623 54.240 56.048 -0.308 0.000 1.401 614 H CB 0.332 29.866 29.762 -0.381 0.000 1.461 614 H HN 0.349 nan 8.280 nan 0.000 0.588 615 P HA -0.181 nan 4.420 nan 0.000 0.217 615 P C 1.233 178.539 177.300 0.009 0.000 1.148 615 P CA 1.530 64.622 63.100 -0.013 0.000 0.828 615 P CB 0.063 31.753 31.700 -0.016 0.000 0.783 616 A N -0.493 122.335 122.820 0.014 0.000 1.978 616 A HA -0.207 4.127 4.320 0.024 0.000 0.220 616 A C 2.096 179.639 177.584 -0.068 0.000 1.170 616 A CA 1.480 53.488 52.037 -0.047 0.000 0.636 616 A CB -1.646 17.297 19.000 -0.095 0.000 0.810 616 A HN 0.184 nan 8.150 nan 0.000 0.448 617 L N -0.587 120.617 121.223 -0.030 0.000 2.079 617 L HA -0.143 4.211 4.340 0.024 0.000 0.210 617 L C 2.512 179.435 176.870 0.089 0.000 1.081 617 L CA 2.767 57.628 54.840 0.035 0.000 0.752 617 L CB -0.993 41.093 42.059 0.045 0.000 0.896 617 L HN 0.381 nan 8.230 nan 0.000 0.433 618 T N -1.598 113.011 114.554 0.092 0.000 2.867 618 T HA -0.196 4.168 4.350 0.024 0.000 0.268 618 T C 1.799 176.620 174.700 0.201 0.000 1.057 618 T CA 1.419 63.624 62.100 0.175 0.000 1.136 618 T CB -0.105 68.841 68.868 0.130 0.000 0.874 618 T HN 0.509 nan 8.240 nan 0.000 0.466 619 E N 0.674 120.934 120.200 0.100 0.000 2.106 619 E HA 0.055 4.419 4.350 0.024 0.000 0.192 619 E C 2.161 178.782 176.600 0.034 0.000 0.984 619 E CA 1.298 57.760 56.400 0.104 0.000 0.806 619 E CB -0.540 29.191 29.700 0.051 0.000 0.750 619 E HN 0.514 nan 8.360 nan 0.000 0.458 620 A N 1.136 123.866 122.820 -0.150 0.000 1.877 620 A HA -0.244 4.091 4.320 0.024 0.000 0.216 620 A C 2.173 179.638 177.584 -0.198 0.000 1.186 620 A CA 1.982 53.873 52.037 -0.244 0.000 0.620 620 A CB -0.691 18.170 19.000 -0.230 0.000 0.822 620 A HN 0.280 nan 8.150 nan 0.000 0.443 621 K N -1.252 119.097 120.400 -0.085 0.000 2.044 621 K HA -0.309 4.025 4.320 0.024 0.000 0.210 621 K C 2.065 178.563 176.600 -0.168 0.000 1.049 621 K CA 2.168 58.420 56.287 -0.059 0.000 0.927 621 K CB -0.356 32.267 32.500 0.204 0.000 0.713 621 K HN 0.662 nan 8.250 nan 0.000 0.443 622 H N 0.084 118.995 119.070 -0.264 0.000 2.357 622 H HA 0.007 4.578 4.556 0.024 0.000 0.301 622 H C 1.803 176.873 175.328 -0.430 0.000 1.082 622 H CA 1.613 57.319 56.048 -0.570 0.000 1.342 622 H CB 0.158 29.648 29.762 -0.455 0.000 1.389 622 H HN 0.238 nan 8.280 nan 0.000 0.511 623 Q N 0.079 119.635 119.800 -0.406 0.000 2.378 623 Q HA -0.024 4.330 4.340 0.024 0.000 0.205 623 Q C 1.149 176.626 176.000 -0.871 0.000 0.954 623 Q CA 0.872 56.372 55.803 -0.505 0.000 0.901 623 Q CB 0.291 28.941 28.738 -0.147 0.000 0.981 623 Q HN 0.704 nan 8.270 nan 0.000 0.483 624 Q N -0.059 119.197 119.800 -0.907 0.000 2.220 624 Q HA 0.119 4.473 4.340 0.024 0.000 0.205 624 Q C -0.254 175.172 176.000 -0.958 0.000 0.865 624 Q CA -0.227 54.870 55.803 -1.177 0.000 0.960 624 Q CB 0.541 28.620 28.738 -1.098 0.000 1.097 624 Q HN 0.351 nan 8.270 nan 0.000 0.493 625 Q N -0.259 119.138 119.800 -0.671 0.000 2.354 625 Q HA -0.080 4.275 4.340 0.024 0.000 0.310 625 Q C -0.162 175.478 176.000 -0.600 0.000 1.104 625 Q CA 0.528 56.072 55.803 -0.432 0.000 0.968 625 Q CB 0.407 28.977 28.738 -0.281 0.000 1.251 625 Q HN 0.314 nan 8.270 nan 0.000 0.411 626 F N 0.584 120.315 119.950 -0.365 0.000 2.727 626 F HA 0.216 4.757 4.527 0.023 0.000 0.302 626 F C -0.170 175.080 175.800 -0.917 0.000 1.097 626 F CA -0.018 57.517 58.000 -0.774 0.000 1.330 626 F CB 0.504 38.688 39.000 -1.359 0.000 1.084 626 F HN 0.304 nan 8.300 nan 0.000 0.578 627 F N 0.404 120.242 119.950 -0.187 0.000 2.529 627 F HA 0.478 5.020 4.527 0.025 0.000 0.320 627 F C 0.003 175.458 175.800 -0.575 0.000 1.118 627 F CA -1.104 56.696 58.000 -0.333 0.000 0.915 627 F CB 1.275 40.126 39.000 -0.247 0.000 1.161 627 F HN -0.296 nan 8.300 nan 0.000 0.445 628 Q N 2.684 122.211 119.800 -0.454 0.000 2.241 628 Q HA 0.635 4.990 4.340 0.024 0.000 0.262 628 Q C -1.331 174.307 176.000 -0.603 0.000 1.014 628 Q CA -0.719 54.839 55.803 -0.409 0.000 0.885 628 Q CB 2.836 31.475 28.738 -0.166 0.000 1.311 628 Q HN 0.580 nan 8.270 nan 0.000 0.461 629 F N -0.191 119.888 119.950 0.214 0.000 2.588 629 F HA 0.576 5.118 4.527 0.025 0.000 0.310 629 F C 0.224 176.256 175.800 0.386 0.000 1.082 629 F CA -0.896 57.312 58.000 0.346 0.000 0.929 629 F CB 2.049 41.407 39.000 0.596 0.000 1.254 629 F HN 0.111 nan 8.300 nan 0.000 0.455 630 R N 1.603 122.392 120.500 0.482 0.000 2.771 630 R HA 0.725 5.080 4.340 0.024 0.000 0.274 630 R C -2.050 174.274 176.300 0.041 0.000 0.987 630 R CA -1.284 55.013 56.100 0.328 0.000 0.908 630 R CB 3.090 33.494 30.300 0.173 0.000 1.213 630 R HN 0.582 nan 8.270 nan 0.000 0.468 631 L N 0.388 121.539 121.223 -0.119 0.000 2.356 631 L HA 0.510 4.865 4.340 0.024 0.000 0.277 631 L C -0.991 175.751 176.870 -0.213 0.000 0.996 631 L CA 0.033 54.607 54.840 -0.444 0.000 0.822 631 L CB 2.116 43.521 42.059 -1.090 0.000 1.256 631 L HN 0.593 nan 8.230 nan 0.000 0.413 632 S N 3.775 119.361 115.700 -0.190 0.000 2.721 632 S HA 0.679 5.163 4.470 0.024 0.000 0.264 632 S C 0.281 174.806 174.600 -0.126 0.000 1.161 632 S CA 0.262 58.391 58.200 -0.118 0.000 1.113 632 S CB 0.204 63.363 63.200 -0.069 0.000 1.079 632 S HN 1.532 nan 8.310 nan 0.000 0.479 633 G N 4.435 113.161 108.800 -0.123 0.000 2.595 633 G HA2 -0.286 3.689 3.960 0.024 0.000 0.297 633 G HA3 -0.286 3.689 3.960 0.024 0.000 0.297 633 G C 0.370 175.177 174.900 -0.155 0.000 1.181 633 G CA 0.587 45.618 45.100 -0.116 0.000 0.963 633 G HN 0.663 nan 8.290 nan 0.000 0.541 634 Q N 1.046 120.754 119.800 -0.153 0.000 2.220 634 Q HA 0.236 4.590 4.340 0.024 0.000 0.205 634 Q C -0.030 175.839 176.000 -0.218 0.000 0.865 634 Q CA 0.563 56.250 55.803 -0.194 0.000 0.960 634 Q CB 0.841 29.479 28.738 -0.167 0.000 1.097 634 Q HN 0.480 nan 8.270 nan 0.000 0.493 635 T N 1.414 115.853 114.554 -0.191 0.000 2.749 635 T HA 0.476 4.840 4.350 0.024 0.000 0.287 635 T C 0.005 174.585 174.700 -0.201 0.000 0.970 635 T CA -0.294 61.707 62.100 -0.165 0.000 0.980 635 T CB 1.068 69.873 68.868 -0.106 0.000 0.924 635 T HN 0.053 nan 8.240 nan 0.000 0.456 636 I N 2.888 123.350 120.570 -0.181 0.000 2.312 636 I HA 0.263 4.448 4.170 0.024 0.000 0.290 636 I C 0.607 176.723 176.117 -0.002 0.000 1.008 636 I CA -0.555 60.657 61.300 -0.146 0.000 1.226 636 I CB 1.146 39.058 38.000 -0.146 0.000 1.371 636 I HN 0.597 nan 8.210 nan 0.000 0.468 637 E N 6.957 127.185 120.200 0.046 0.000 2.130 637 E HA 0.358 4.723 4.350 0.024 0.000 0.284 637 E C -1.282 175.418 176.600 0.167 0.000 1.018 637 E CA -0.560 55.891 56.400 0.086 0.000 0.817 637 E CB 1.164 30.899 29.700 0.059 0.000 1.078 637 E HN 0.367 nan 8.360 nan 0.000 0.396 638 V N 4.153 124.158 119.914 0.151 0.000 2.427 638 V HA 0.326 4.460 4.120 0.024 0.000 0.286 638 V C 0.101 176.227 176.094 0.055 0.000 1.034 638 V CA -0.564 61.804 62.300 0.114 0.000 0.893 638 V CB 1.670 33.606 31.823 0.188 0.000 0.982 638 V HN 0.689 nan 8.190 nan 0.000 0.452 639 T N 3.043 117.581 114.554 -0.027 0.000 2.812 639 T HA 0.320 4.684 4.350 0.024 0.000 0.282 639 T C -0.106 174.560 174.700 -0.057 0.000 0.990 639 T CA -0.282 61.803 62.100 -0.026 0.000 0.960 639 T CB 1.564 70.397 68.868 -0.059 0.000 0.948 639 T HN 0.719 nan 8.240 nan 0.000 0.438 640 S N 1.869 117.531 115.700 -0.063 0.000 2.523 640 S HA 0.186 4.670 4.470 0.024 0.000 0.275 640 S C 0.875 175.306 174.600 -0.281 0.000 1.281 640 S CA -0.448 57.606 58.200 -0.244 0.000 1.050 640 S CB 0.481 63.618 63.200 -0.104 0.000 0.937 640 S HN 0.708 nan 8.310 nan 0.000 0.492 641 E N 2.971 122.906 120.200 -0.442 0.000 2.481 641 E HA 0.067 4.431 4.350 0.024 0.000 0.198 641 E C -0.680 175.746 176.600 -0.291 0.000 1.027 641 E CA -0.072 56.127 56.400 -0.335 0.000 0.900 641 E CB 0.257 29.742 29.700 -0.357 0.000 0.993 641 E HN 0.679 nan 8.360 nan 0.000 0.482 642 Y N 0.502 120.677 120.300 -0.208 0.000 2.480 642 Y HA -0.027 4.537 4.550 0.023 0.000 0.338 642 Y C 1.462 177.186 175.900 -0.293 0.000 1.220 642 Y CA 0.427 58.405 58.100 -0.204 0.000 1.430 642 Y CB 0.548 38.868 38.460 -0.233 0.000 1.311 642 Y HN -0.065 nan 8.280 nan 0.000 0.575 643 L N 0.822 121.870 121.223 -0.291 0.000 2.515 643 L HA 0.082 4.436 4.340 0.024 0.000 0.223 643 L C 0.522 176.889 176.870 -0.838 0.000 1.079 643 L CA 0.466 54.858 54.840 -0.747 0.000 0.857 643 L CB 0.045 41.355 42.059 -1.248 0.000 1.050 643 L HN 0.561 nan 8.230 nan 0.000 0.476 644 F N -0.904 119.049 119.950 0.006 0.000 2.496 644 F HA 0.218 4.758 4.527 0.022 0.000 0.274 644 F C 1.210 176.997 175.800 -0.021 0.000 0.924 644 F CA -0.809 57.176 58.000 -0.025 0.000 1.147 644 F CB -0.084 38.882 39.000 -0.057 0.000 0.969 644 F HN -0.198 nan 8.300 nan 0.000 0.749 645 R N 0.906 121.460 120.500 0.091 0.000 2.459 645 R HA 0.379 4.733 4.340 0.024 0.000 0.281 645 R C -0.996 175.310 176.300 0.009 0.000 1.050 645 R CA -0.456 55.646 56.100 0.003 0.000 1.055 645 R CB 0.458 30.650 30.300 -0.179 0.000 1.045 645 R HN 0.084 nan 8.270 nan 0.000 0.495 646 H N 0.415 119.474 119.070 -0.018 0.000 2.546 646 H HA 0.063 4.633 4.556 0.024 0.000 0.365 646 H C 0.129 175.480 175.328 0.038 0.000 1.220 646 H CA 0.491 56.557 56.048 0.030 0.000 1.386 646 H CB 1.197 30.982 29.762 0.038 0.000 1.510 646 H HN 0.780 nan 8.280 nan 0.000 0.591 647 S N 0.648 116.484 115.700 0.226 0.000 4.120 647 S HA -0.006 4.478 4.470 0.024 0.000 0.215 647 S C 0.045 174.745 174.600 0.168 0.000 1.347 647 S CA -0.294 58.055 58.200 0.249 0.000 0.889 647 S CB -0.816 62.587 63.200 0.339 0.000 1.585 647 S HN 0.684 nan 8.310 nan 0.000 0.447 648 D N 0.450 120.922 120.400 0.121 0.000 2.328 648 D HA 0.056 4.711 4.640 0.024 0.000 0.221 648 D C 0.447 176.778 176.300 0.053 0.000 1.072 648 D CA -0.140 53.907 54.000 0.078 0.000 0.850 648 D CB -0.138 40.695 40.800 0.054 0.000 0.922 648 D HN 0.482 nan 8.370 nan 0.000 0.516 649 N N 0.073 118.812 118.700 0.064 0.000 2.636 649 N HA 0.176 4.930 4.740 0.024 0.000 0.287 649 N C -1.641 173.905 175.510 0.060 0.000 1.817 649 N CA -0.262 52.815 53.050 0.046 0.000 0.842 649 N CB 0.312 38.815 38.487 0.027 0.000 1.353 649 N HN -0.036 nan 8.380 nan 0.000 0.500 650 E N 0.095 120.322 120.200 0.045 0.000 2.291 650 E HA 0.442 4.807 4.350 0.024 0.000 0.276 650 E C -1.485 175.094 176.600 -0.035 0.000 0.896 650 E CA -0.680 55.724 56.400 0.007 0.000 0.774 650 E CB 1.666 31.359 29.700 -0.012 0.000 1.227 650 E HN 0.267 nan 8.360 nan 0.000 0.413 651 L N 0.390 121.562 121.223 -0.084 0.000 2.370 651 L HA 0.696 5.050 4.340 0.024 0.000 0.266 651 L C -1.118 175.636 176.870 -0.194 0.000 1.002 651 L CA -1.084 53.686 54.840 -0.116 0.000 0.818 651 L CB 0.803 42.795 42.059 -0.112 0.000 1.325 651 L HN 0.512 nan 8.230 nan 0.000 0.418 652 L N 2.951 124.117 121.223 -0.095 0.000 2.265 652 L HA 0.518 4.872 4.340 0.024 0.000 0.288 652 L C -0.572 176.309 176.870 0.018 0.000 1.058 652 L CA 0.164 54.995 54.840 -0.016 0.000 0.809 652 L CB 0.060 42.186 42.059 0.113 0.000 1.179 652 L HN 0.532 nan 8.230 nan 0.000 0.429 653 H N 5.508 124.638 119.070 0.101 0.000 2.527 653 H HA 0.324 4.895 4.556 0.024 0.000 0.321 653 H C -0.931 174.474 175.328 0.129 0.000 1.087 653 H CA -0.425 55.645 56.048 0.037 0.000 1.337 653 H CB 0.666 30.419 29.762 -0.015 0.000 1.440 653 H HN 0.660 nan 8.280 nan 0.000 0.490 654 W N 3.504 124.902 121.300 0.163 0.000 2.666 654 W HA 0.565 5.239 4.660 0.024 0.000 0.334 654 W C -1.393 175.176 176.519 0.083 0.000 1.051 654 W CA -1.306 56.103 57.345 0.108 0.000 1.224 654 W CB 1.320 30.823 29.460 0.072 0.000 1.405 654 W HN 0.430 nan 8.180 nan 0.000 0.513 655 M N 3.993 123.784 119.600 0.318 0.000 2.213 655 M HA 0.475 4.969 4.480 0.024 0.000 0.286 655 M C -2.275 174.198 176.300 0.290 0.000 1.008 655 M CA -0.501 54.889 55.300 0.151 0.000 0.937 655 M CB 1.743 34.367 32.600 0.040 0.000 1.600 655 M HN 0.210 nan 8.290 nan 0.000 0.450 656 V N 4.312 124.403 119.914 0.296 0.000 2.435 656 V HA 0.985 5.120 4.120 0.024 0.000 0.290 656 V C -0.171 176.026 176.094 0.171 0.000 1.030 656 V CA -0.400 62.060 62.300 0.266 0.000 0.881 656 V CB 1.014 33.010 31.823 0.289 0.000 0.983 656 V HN 0.989 nan 8.190 nan 0.000 0.445 657 A N 4.674 127.605 122.820 0.185 0.000 2.455 657 A HA 0.790 5.124 4.320 0.024 0.000 0.300 657 A C -1.261 176.436 177.584 0.188 0.000 1.040 657 A CA -0.611 51.509 52.037 0.138 0.000 0.697 657 A CB 1.538 20.587 19.000 0.082 0.000 1.265 657 A HN 0.821 nan 8.150 nan 0.000 0.407 658 L N 2.083 123.386 121.223 0.133 0.000 2.283 658 L HA 0.448 4.802 4.340 0.024 0.000 0.287 658 L C -0.379 176.587 176.870 0.160 0.000 1.073 658 L CA 0.450 55.379 54.840 0.148 0.000 0.822 658 L CB -0.196 41.919 42.059 0.093 0.000 1.186 658 L HN 0.763 nan 8.230 nan 0.000 0.436 659 D N 4.974 125.535 120.400 0.269 0.000 2.720 659 D HA -0.204 4.450 4.640 0.024 0.000 0.229 659 D C 1.207 177.566 176.300 0.097 0.000 1.198 659 D CA 1.492 55.660 54.000 0.279 0.000 0.639 659 D CB -1.066 39.861 40.800 0.210 0.000 1.003 659 D HN 1.148 nan 8.370 nan 0.000 0.411 660 G N -0.796 108.023 108.800 0.032 0.000 2.241 660 G HA2 -0.369 3.605 3.960 0.024 0.000 0.244 660 G HA3 -0.369 3.605 3.960 0.024 0.000 0.244 660 G C 0.320 175.139 174.900 -0.134 0.000 0.998 660 G CA 0.416 45.415 45.100 -0.168 0.000 0.621 660 G HN 0.491 nan 8.290 nan 0.000 0.519 661 K N 1.905 122.276 120.400 -0.048 0.000 2.248 661 K HA 0.481 4.815 4.320 0.024 0.000 0.281 661 K C -2.585 174.002 176.600 -0.021 0.000 1.054 661 K CA -1.851 54.410 56.287 -0.043 0.000 0.903 661 K CB 1.492 33.983 32.500 -0.016 0.000 1.077 661 K HN 0.067 nan 8.250 nan 0.000 0.474 662 P HA -0.049 nan 4.420 nan 0.000 0.267 662 P C -0.168 177.127 177.300 -0.008 0.000 1.205 662 P CA -0.145 62.935 63.100 -0.033 0.000 0.765 662 P CB 0.668 32.327 31.700 -0.068 0.000 0.828 663 L N 1.960 123.196 121.223 0.021 0.000 2.624 663 L HA 0.544 4.898 4.340 0.024 0.000 0.222 663 L C 0.296 177.193 176.870 0.044 0.000 1.046 663 L CA 0.740 55.603 54.840 0.038 0.000 0.872 663 L CB 0.052 42.151 42.059 0.066 0.000 1.190 663 L HN 0.413 nan 8.230 nan 0.000 0.487 664 A N -0.749 122.104 122.820 0.055 0.000 2.608 664 A HA 0.649 4.983 4.320 0.024 0.000 0.292 664 A C -0.802 176.708 177.584 -0.123 0.000 1.066 664 A CA 0.248 52.311 52.037 0.043 0.000 0.676 664 A CB 1.435 20.566 19.000 0.218 0.000 1.277 664 A HN 0.215 nan 8.150 nan 0.000 0.413 665 S N -0.648 114.769 115.700 -0.471 0.000 2.688 665 S HA 1.002 5.486 4.470 0.024 0.000 0.275 665 S C -0.177 173.485 174.600 -1.564 0.000 1.175 665 S CA -0.254 57.318 58.200 -1.046 0.000 0.818 665 S CB 1.199 64.067 63.200 -0.553 0.000 1.157 665 S HN 2.639 nan 8.310 nan 0.000 0.482 666 G N -0.387 107.401 108.800 -1.686 0.000 2.368 666 G HA2 0.540 4.515 3.960 0.024 0.000 0.293 666 G HA3 0.540 4.515 3.960 0.024 0.000 0.293 666 G C -2.492 172.126 174.900 -0.471 0.000 1.467 666 G CA -0.835 43.696 45.100 -0.949 0.000 0.804 666 G HN 0.758 nan 8.290 nan 0.000 0.535 667 E N -0.706 119.494 120.200 0.001 0.000 2.234 667 E HA 0.605 4.970 4.350 0.024 0.000 0.266 667 E C -1.189 175.528 176.600 0.194 0.000 0.877 667 E CA -0.914 55.585 56.400 0.165 0.000 0.758 667 E CB 3.158 32.966 29.700 0.180 0.000 1.170 667 E HN 0.307 nan 8.360 nan 0.000 0.415 668 V N 3.142 123.170 119.914 0.189 0.000 2.638 668 V HA 0.375 4.509 4.120 0.024 0.000 0.306 668 V C -2.447 173.694 176.094 0.079 0.000 1.052 668 V CA -2.219 60.167 62.300 0.143 0.000 0.885 668 V CB 1.941 33.862 31.823 0.164 0.000 0.999 668 V HN 0.573 nan 8.190 nan 0.000 0.424 669 P HA 0.307 nan 4.420 nan 0.000 0.276 669 P C -0.653 176.674 177.300 0.045 0.000 1.230 669 P CA -0.216 62.906 63.100 0.037 0.000 0.776 669 P CB 0.576 32.300 31.700 0.040 0.000 0.888 670 L N 3.005 124.245 121.223 0.028 0.000 2.331 670 L HA 0.261 4.616 4.340 0.024 0.000 0.278 670 L C 0.527 177.448 176.870 0.085 0.000 1.106 670 L CA 0.369 55.233 54.840 0.041 0.000 0.824 670 L CB 0.402 42.442 42.059 -0.031 0.000 1.142 670 L HN 0.374 nan 8.230 nan 0.000 0.443 671 D N 2.899 123.364 120.400 0.109 0.000 2.656 671 D HA 0.294 4.948 4.640 0.024 0.000 0.303 671 D C -1.192 175.203 176.300 0.157 0.000 1.199 671 D CA -0.161 53.925 54.000 0.144 0.000 0.797 671 D CB 0.832 41.703 40.800 0.118 0.000 1.170 671 D HN 0.039 nan 8.370 nan 0.000 0.509 672 V N 1.496 121.505 119.914 0.160 0.000 2.417 672 V HA 0.789 4.923 4.120 0.024 0.000 0.291 672 V C 0.895 176.900 176.094 -0.148 0.000 1.024 672 V CA -1.170 61.183 62.300 0.088 0.000 0.861 672 V CB 1.208 33.152 31.823 0.202 0.000 0.985 672 V HN 0.527 nan 8.190 nan 0.000 0.436 673 A N 7.553 130.181 122.820 -0.321 0.000 2.425 673 A HA 0.548 4.882 4.320 0.024 0.000 0.242 673 A C -2.144 175.224 177.584 -0.360 0.000 1.077 673 A CA -1.137 50.457 52.037 -0.739 0.000 0.781 673 A CB -0.246 18.572 19.000 -0.302 0.000 1.020 673 A HN 0.675 nan 8.150 nan 0.000 0.494 674 P HA 0.033 nan 4.420 nan 0.000 0.262 674 P C -0.623 176.602 177.300 -0.126 0.000 1.199 674 P CA 0.558 63.571 63.100 -0.145 0.000 0.763 674 P CB 0.674 32.308 31.700 -0.110 0.000 0.790 675 Q N -0.541 119.189 119.800 -0.117 0.000 2.489 675 Q HA -0.140 4.214 4.340 0.024 0.000 0.259 675 Q C 0.609 176.565 176.000 -0.073 0.000 0.934 675 Q CA 1.571 57.313 55.803 -0.102 0.000 1.131 675 Q CB -2.372 26.305 28.738 -0.101 0.000 1.472 675 Q HN 0.774 nan 8.270 nan 0.000 0.560 676 G N -0.085 108.675 108.800 -0.068 0.000 2.705 676 G HA2 0.693 4.667 3.960 0.024 0.000 0.299 676 G HA3 0.693 4.667 3.960 0.024 0.000 0.299 676 G C -0.536 174.359 174.900 -0.007 0.000 1.315 676 G CA -0.634 44.443 45.100 -0.038 0.000 1.045 676 G HN -0.027 nan 8.290 nan 0.000 0.517 677 K N -0.344 120.063 120.400 0.012 0.000 2.422 677 K HA 0.420 4.754 4.320 0.024 0.000 0.251 677 K C -1.184 175.445 176.600 0.047 0.000 0.933 677 K CA -0.588 55.718 56.287 0.031 0.000 0.798 677 K CB 2.744 35.257 32.500 0.021 0.000 1.238 677 K HN 0.508 nan 8.250 nan 0.000 0.428 678 Q N 3.517 123.355 119.800 0.064 0.000 2.304 678 Q HA 0.395 4.749 4.340 0.024 0.000 0.270 678 Q C -1.549 174.487 176.000 0.060 0.000 1.035 678 Q CA -0.689 55.154 55.803 0.066 0.000 0.781 678 Q CB 1.371 30.161 28.738 0.086 0.000 1.261 678 Q HN 0.545 nan 8.270 nan 0.000 0.444 679 L N 5.252 126.498 121.223 0.040 0.000 2.275 679 L HA 0.524 4.879 4.340 0.024 0.000 0.288 679 L C -0.444 176.433 176.870 0.012 0.000 1.046 679 L CA -0.569 54.283 54.840 0.020 0.000 0.805 679 L CB 1.169 43.231 42.059 0.005 0.000 1.193 679 L HN 0.586 nan 8.230 nan 0.000 0.426 680 I N 2.792 123.359 120.570 -0.006 0.000 2.382 680 I HA 0.174 4.358 4.170 0.024 0.000 0.285 680 I C -0.009 176.053 176.117 -0.092 0.000 1.007 680 I CA -0.549 60.734 61.300 -0.027 0.000 1.142 680 I CB 1.808 39.806 38.000 -0.004 0.000 1.289 680 I HN 0.555 nan 8.210 nan 0.000 0.453 681 E N 7.256 127.407 120.200 -0.083 0.000 2.290 681 E HA 0.307 4.671 4.350 0.024 0.000 0.277 681 E C -1.067 175.426 176.600 -0.178 0.000 1.035 681 E CA -0.111 56.218 56.400 -0.118 0.000 0.873 681 E CB 0.710 30.366 29.700 -0.073 0.000 1.029 681 E HN 0.456 nan 8.360 nan 0.000 0.419 682 L N 6.867 127.922 121.223 -0.281 0.000 2.375 682 L HA 0.419 4.774 4.340 0.024 0.000 0.271 682 L C -1.709 175.004 176.870 -0.261 0.000 1.107 682 L CA -2.190 52.387 54.840 -0.438 0.000 0.806 682 L CB 0.838 42.500 42.059 -0.662 0.000 1.146 682 L HN 0.602 nan 8.230 nan 0.000 0.447 683 P HA 0.005 nan 4.420 nan 0.000 0.271 683 P C -0.665 176.592 177.300 -0.072 0.000 1.218 683 P CA -0.324 62.741 63.100 -0.058 0.000 0.780 683 P CB 0.568 32.309 31.700 0.068 0.000 0.901 684 E N 1.542 121.719 120.200 -0.038 0.000 2.480 684 E HA 0.073 4.437 4.350 0.024 0.000 0.258 684 E C -0.493 176.105 176.600 -0.003 0.000 0.984 684 E CA -0.040 56.340 56.400 -0.033 0.000 0.930 684 E CB 0.032 29.721 29.700 -0.020 0.000 0.936 684 E HN 0.341 nan 8.360 nan 0.000 0.466 685 L N 6.178 127.397 121.223 -0.008 0.000 2.322 685 L HA 0.422 4.776 4.340 0.024 0.000 0.279 685 L C -1.952 174.935 176.870 0.027 0.000 1.036 685 L CA -2.281 52.576 54.840 0.028 0.000 0.807 685 L CB 1.102 43.178 42.059 0.029 0.000 1.226 685 L HN 0.517 nan 8.230 nan 0.000 0.433 686 P HA 0.140 nan 4.420 nan 0.000 0.276 686 P C -1.098 176.218 177.300 0.027 0.000 1.243 686 P CA -0.351 62.768 63.100 0.031 0.000 0.768 686 P CB 0.461 32.182 31.700 0.036 0.000 0.856 687 Q N 4.227 124.037 119.800 0.017 0.000 2.296 687 Q HA 0.214 4.568 4.340 0.024 0.000 0.263 687 Q C -1.765 174.245 176.000 0.018 0.000 1.026 687 Q CA -1.490 54.322 55.803 0.014 0.000 0.912 687 Q CB 0.298 29.040 28.738 0.006 0.000 1.198 687 Q HN 0.411 nan 8.270 nan 0.000 0.407 688 P HA 0.074 nan 4.420 nan 0.000 0.281 688 P C -0.512 176.799 177.300 0.019 0.000 1.252 688 P CA -0.080 63.034 63.100 0.023 0.000 0.778 688 P CB 1.157 32.875 31.700 0.031 0.000 0.895 689 E N 0.935 121.146 120.200 0.018 0.000 2.072 689 E HA -0.077 4.287 4.350 0.024 0.000 0.191 689 E C 0.696 177.307 176.600 0.019 0.000 0.985 689 E CA 0.861 57.270 56.400 0.016 0.000 0.801 689 E CB -0.212 29.497 29.700 0.015 0.000 0.750 689 E HN 0.601 nan 8.360 nan 0.000 0.452 690 S N 0.988 116.702 115.700 0.023 0.000 2.562 690 S HA 0.373 4.858 4.470 0.024 0.000 0.281 690 S C 0.253 174.872 174.600 0.032 0.000 1.333 690 S CA -0.593 57.623 58.200 0.028 0.000 1.052 690 S CB 1.228 64.446 63.200 0.030 0.000 0.884 690 S HN 0.254 nan 8.310 nan 0.000 0.506 691 A N 2.481 125.322 122.820 0.035 0.000 2.448 691 A HA 0.683 5.018 4.320 0.024 0.000 0.239 691 A C 1.019 178.634 177.584 0.052 0.000 1.080 691 A CA 0.243 52.303 52.037 0.039 0.000 0.779 691 A CB -0.703 18.321 19.000 0.040 0.000 1.026 691 A HN 2.299 nan 8.150 nan 0.000 0.499 692 G N -0.569 108.263 108.800 0.054 0.000 2.351 692 G HA2 0.443 4.418 3.960 0.024 0.000 0.353 692 G HA3 0.443 4.418 3.960 0.024 0.000 0.353 692 G C -1.070 173.864 174.900 0.057 0.000 1.358 692 G CA -0.193 44.953 45.100 0.077 0.000 0.995 692 G HN 1.192 nan 8.290 nan 0.000 0.611 693 Q N -0.227 119.620 119.800 0.080 0.000 2.278 693 Q HA 0.713 5.068 4.340 0.024 0.000 0.257 693 Q C -0.142 175.881 176.000 0.038 0.000 0.928 693 Q CA -0.545 55.252 55.803 -0.011 0.000 0.932 693 Q CB 1.205 29.891 28.738 -0.087 0.000 1.221 693 Q HN 0.579 nan 8.270 nan 0.000 0.434 694 L N 4.399 125.586 121.223 -0.059 0.000 2.331 694 L HA 0.375 4.730 4.340 0.024 0.000 0.278 694 L C -0.755 176.045 176.870 -0.116 0.000 1.106 694 L CA -0.207 54.638 54.840 0.007 0.000 0.824 694 L CB 0.591 42.652 42.059 0.002 0.000 1.142 694 L HN 0.683 nan 8.230 nan 0.000 0.443 695 W N 4.635 125.971 121.300 0.060 0.000 2.656 695 W HA 0.478 5.152 4.660 0.024 0.000 0.327 695 W C -0.793 175.815 176.519 0.148 0.000 1.041 695 W CA -0.551 56.850 57.345 0.095 0.000 1.229 695 W CB 1.674 31.203 29.460 0.115 0.000 1.397 695 W HN 0.127 nan 8.180 nan 0.000 0.479 696 L N 3.951 125.420 121.223 0.411 0.000 2.287 696 L HA 0.682 5.036 4.340 0.024 0.000 0.287 696 L C -0.327 176.834 176.870 0.485 0.000 1.022 696 L CA 0.063 55.142 54.840 0.399 0.000 0.814 696 L CB 1.080 43.324 42.059 0.310 0.000 1.217 696 L HN 0.298 nan 8.230 nan 0.000 0.420 697 T N 5.389 120.180 114.554 0.394 0.000 2.791 697 T HA 0.574 4.939 4.350 0.024 0.000 0.288 697 T C -0.410 174.481 174.700 0.320 0.000 0.999 697 T CA -0.451 61.850 62.100 0.335 0.000 0.952 697 T CB 1.226 70.233 68.868 0.231 0.000 0.938 697 T HN 0.571 nan 8.240 nan 0.000 0.444 698 V N 2.156 122.251 119.914 0.302 0.000 2.630 698 V HA 0.822 4.956 4.120 0.024 0.000 0.305 698 V C -0.449 175.746 176.094 0.169 0.000 1.046 698 V CA -1.048 61.379 62.300 0.212 0.000 0.934 698 V CB 1.566 33.440 31.823 0.085 0.000 1.003 698 V HN 0.806 nan 8.190 nan 0.000 0.451 699 R N 2.280 122.894 120.500 0.189 0.000 2.673 699 R HA 0.766 5.121 4.340 0.024 0.000 0.281 699 R C -1.738 174.664 176.300 0.170 0.000 0.991 699 R CA -0.753 55.486 56.100 0.232 0.000 0.896 699 R CB 2.707 33.141 30.300 0.224 0.000 1.201 699 R HN 0.687 nan 8.270 nan 0.000 0.457 700 V N 3.324 123.360 119.914 0.203 0.000 2.370 700 V HA 0.438 4.572 4.120 0.024 0.000 0.283 700 V C -0.359 175.788 176.094 0.087 0.000 1.023 700 V CA -0.636 61.722 62.300 0.096 0.000 0.857 700 V CB 1.657 33.523 31.823 0.072 0.000 0.985 700 V HN 0.431 nan 8.190 nan 0.000 0.443 701 V N 4.940 124.847 119.914 -0.013 0.000 2.680 701 V HA 0.428 4.562 4.120 0.024 0.000 0.309 701 V C -0.356 175.747 176.094 0.016 0.000 1.052 701 V CA -0.787 61.517 62.300 0.007 0.000 0.908 701 V CB 2.205 34.007 31.823 -0.035 0.000 1.001 701 V HN 0.888 nan 8.190 nan 0.000 0.431 702 Q N 4.600 124.443 119.800 0.071 0.000 2.421 702 Q HA 0.258 4.612 4.340 0.024 0.000 0.242 702 Q C -1.913 174.101 176.000 0.022 0.000 1.024 702 Q CA -1.761 54.075 55.803 0.056 0.000 0.891 702 Q CB 1.590 30.370 28.738 0.070 0.000 1.222 702 Q HN 0.454 nan 8.270 nan 0.000 0.483 703 P HA -0.181 nan 4.420 nan 0.000 0.216 703 P C -0.280 177.018 177.300 -0.003 0.000 1.150 703 P CA 1.344 64.449 63.100 0.009 0.000 0.843 703 P CB 0.358 32.062 31.700 0.006 0.000 0.787 704 N N -0.881 117.807 118.700 -0.020 0.000 2.443 704 N HA 0.435 5.190 4.740 0.024 0.000 0.295 704 N C -0.465 174.994 175.510 -0.085 0.000 1.076 704 N CA -0.618 52.407 53.050 -0.040 0.000 0.919 704 N CB 0.553 39.018 38.487 -0.036 0.000 1.176 704 N HN -0.083 nan 8.380 nan 0.000 0.487 705 A N 0.599 123.367 122.820 -0.088 0.000 2.462 705 A HA 0.432 4.766 4.320 0.024 0.000 0.243 705 A C 0.820 178.293 177.584 -0.186 0.000 1.076 705 A CA -0.045 51.910 52.037 -0.138 0.000 0.773 705 A CB -0.294 18.653 19.000 -0.087 0.000 1.010 705 A HN 0.737 nan 8.150 nan 0.000 0.493 706 T N -1.581 112.777 114.554 -0.326 0.000 2.844 706 T HA 0.631 4.996 4.350 0.024 0.000 0.274 706 T C 1.141 175.718 174.700 -0.205 0.000 0.991 706 T CA 0.044 61.936 62.100 -0.346 0.000 0.983 706 T CB 1.074 69.474 68.868 -0.781 0.000 1.310 706 T HN 1.174 nan 8.240 nan 0.000 0.596 707 A N -0.349 122.442 122.820 -0.048 0.000 2.067 707 A HA 0.141 4.475 4.320 0.024 0.000 0.217 707 A C 1.847 179.588 177.584 0.262 0.000 1.156 707 A CA 0.811 52.930 52.037 0.137 0.000 0.683 707 A CB -0.838 18.283 19.000 0.202 0.000 0.808 707 A HN 0.919 nan 8.150 nan 0.000 0.455 708 W N -0.453 120.897 121.300 0.084 0.000 3.058 708 W HA 0.350 5.025 4.660 0.025 0.000 0.306 708 W C -0.050 176.429 176.519 -0.067 0.000 1.188 708 W CA 0.634 57.984 57.345 0.008 0.000 1.651 708 W CB -0.875 28.576 29.460 -0.016 0.000 1.051 708 W HN 0.402 nan 8.180 nan 0.000 0.592 709 S N 0.356 115.708 115.700 -0.579 0.000 2.546 709 S HA 0.459 4.943 4.470 0.024 0.000 0.274 709 S C -0.927 173.469 174.600 -0.340 0.000 1.121 709 S CA -0.697 57.158 58.200 -0.575 0.000 0.887 709 S CB 2.748 65.245 63.200 -1.172 0.000 1.094 709 S HN 0.098 nan 8.310 nan 0.000 0.474 710 E N 0.893 120.996 120.200 -0.162 0.000 2.349 710 E HA 0.559 4.924 4.350 0.024 0.000 0.262 710 E C 0.304 176.873 176.600 -0.052 0.000 1.088 710 E CA -0.674 55.682 56.400 -0.074 0.000 0.899 710 E CB 0.866 30.563 29.700 -0.005 0.000 1.044 710 E HN 0.881 nan 8.360 nan 0.000 0.420 711 A N 0.958 123.758 122.820 -0.033 0.000 2.540 711 A HA 0.370 4.705 4.320 0.024 0.000 0.239 711 A C 1.165 178.766 177.584 0.030 0.000 1.061 711 A CA 0.736 52.766 52.037 -0.012 0.000 0.758 711 A CB -0.560 18.436 19.000 -0.008 0.000 0.991 711 A HN 0.821 nan 8.150 nan 0.000 0.502 712 G N 0.808 109.635 108.800 0.046 0.000 2.176 712 G HA2 -0.259 3.716 3.960 0.024 0.000 0.253 712 G HA3 -0.259 3.716 3.960 0.024 0.000 0.253 712 G C 0.229 175.184 174.900 0.093 0.000 0.979 712 G CA 0.720 45.862 45.100 0.069 0.000 0.641 712 G HN 1.855 nan 8.290 nan 0.000 0.530 713 H N 0.671 119.748 119.070 0.012 0.000 3.034 713 H HA 0.412 4.982 4.556 0.024 0.000 0.324 713 H C 0.798 176.190 175.328 0.107 0.000 1.015 713 H CA 0.204 56.279 56.048 0.045 0.000 1.429 713 H CB 0.165 29.922 29.762 -0.008 0.000 1.429 713 H HN 0.305 nan 8.280 nan 0.000 0.585 714 I N 5.056 125.364 120.570 -0.437 0.000 2.352 714 I HA 0.006 4.191 4.170 0.024 0.000 0.290 714 I C 1.000 176.967 176.117 -0.250 0.000 1.036 714 I CA 0.172 61.352 61.300 -0.201 0.000 1.336 714 I CB 1.317 39.288 38.000 -0.050 0.000 1.407 714 I HN 0.801 nan 8.210 nan 0.000 0.497 715 S N 4.370 120.151 115.700 0.135 0.000 2.502 715 S HA 0.523 5.008 4.470 0.024 0.000 0.215 715 S C 0.472 175.334 174.600 0.436 0.000 1.009 715 S CA 0.034 58.466 58.200 0.387 0.000 0.908 715 S CB 0.582 64.120 63.200 0.564 0.000 0.801 715 S HN 0.709 nan 8.310 nan 0.000 0.505 716 A N 0.450 123.548 122.820 0.463 0.000 2.594 716 A HA 0.642 4.976 4.320 0.024 0.000 0.296 716 A C -1.684 176.241 177.584 0.567 0.000 1.061 716 A CA -0.881 51.401 52.037 0.409 0.000 0.689 716 A CB 0.405 19.681 19.000 0.460 0.000 1.280 716 A HN 0.914 nan 8.150 nan 0.000 0.406 717 W N 0.209 121.696 121.300 0.311 0.000 3.025 717 W HA 0.833 5.508 4.660 0.025 0.000 0.343 717 W C -1.170 175.438 176.519 0.149 0.000 1.246 717 W CA -0.684 56.757 57.345 0.159 0.000 1.178 717 W CB 1.244 30.759 29.460 0.092 0.000 1.463 717 W HN 0.928 nan 8.180 nan 0.000 0.578 718 Q N 0.994 120.871 119.800 0.130 0.000 2.527 718 Q HA 0.401 4.755 4.340 0.024 0.000 0.280 718 Q C -1.610 174.306 176.000 -0.139 0.000 0.977 718 Q CA -0.495 55.235 55.803 -0.122 0.000 0.837 718 Q CB 2.509 30.974 28.738 -0.455 0.000 1.454 718 Q HN 0.605 nan 8.270 nan 0.000 0.387 719 Q N 1.405 121.061 119.800 -0.241 0.000 2.377 719 Q HA 0.583 4.937 4.340 0.024 0.000 0.271 719 Q C -1.169 174.715 176.000 -0.194 0.000 1.077 719 Q CA -0.637 55.185 55.803 0.032 0.000 0.820 719 Q CB 2.195 31.121 28.738 0.313 0.000 1.347 719 Q HN 0.565 nan 8.270 nan 0.000 0.444 720 W N 1.503 122.932 121.300 0.216 0.000 2.915 720 W HA 0.439 5.113 4.660 0.024 0.000 0.337 720 W C -0.230 176.202 176.519 -0.147 0.000 1.102 720 W CA -0.705 56.672 57.345 0.054 0.000 1.224 720 W CB 1.676 31.145 29.460 0.015 0.000 1.416 720 W HN 0.407 nan 8.180 nan 0.000 0.503 721 R N 2.232 122.597 120.500 -0.225 0.000 2.401 721 R HA 0.325 4.679 4.340 0.024 0.000 0.299 721 R C 0.490 176.635 176.300 -0.258 0.000 1.064 721 R CA -0.003 55.717 56.100 -0.632 0.000 1.000 721 R CB 0.824 30.700 30.300 -0.706 0.000 0.973 721 R HN 0.324 nan 8.270 nan 0.000 0.438 722 L N 1.555 122.623 121.223 -0.258 0.000 2.926 722 L HA 0.473 4.827 4.340 0.024 0.000 0.183 722 L C 0.641 177.421 176.870 -0.150 0.000 1.766 722 L CA -0.995 53.763 54.840 -0.137 0.000 2.062 722 L CB -0.017 41.999 42.059 -0.071 0.000 2.755 722 L HN 0.597 nan 8.230 nan 0.000 0.584 723 A N 0.528 123.290 122.820 -0.098 0.000 2.531 723 A HA 0.109 4.444 4.320 0.024 0.000 0.236 723 A C -0.192 177.338 177.584 -0.089 0.000 1.062 723 A CA 0.304 52.293 52.037 -0.079 0.000 0.760 723 A CB -0.076 18.895 19.000 -0.049 0.000 0.995 723 A HN 0.613 nan 8.150 nan 0.000 0.501 724 E N 1.763 121.916 120.200 -0.077 0.000 2.199 724 E HA 0.279 4.643 4.350 0.024 0.000 0.265 724 E C -1.275 175.309 176.600 -0.028 0.000 0.882 724 E CA -0.721 55.641 56.400 -0.062 0.000 0.759 724 E CB 0.782 30.434 29.700 -0.081 0.000 1.148 724 E HN 0.726 nan 8.360 nan 0.000 0.412 725 N N 4.815 123.509 118.700 -0.009 0.000 2.424 725 N HA 0.291 5.045 4.740 0.024 0.000 0.271 725 N C -0.605 174.913 175.510 0.014 0.000 0.985 725 N CA -0.338 52.714 53.050 0.003 0.000 0.921 725 N CB 1.318 39.810 38.487 0.009 0.000 1.149 725 N HN 0.462 nan 8.380 nan 0.000 0.492 726 L N 0.795 122.026 121.223 0.014 0.000 2.371 726 L HA 0.197 4.552 4.340 0.024 0.000 0.272 726 L C 1.215 178.102 176.870 0.027 0.000 1.124 726 L CA -0.336 54.518 54.840 0.023 0.000 0.816 726 L CB 0.907 42.978 42.059 0.021 0.000 1.129 726 L HN 0.396 nan 8.230 nan 0.000 0.448 727 S N 1.454 117.175 115.700 0.035 0.000 2.465 727 S HA 0.171 4.656 4.470 0.024 0.000 0.280 727 S C 0.775 175.393 174.600 0.030 0.000 1.232 727 S CA -0.700 57.521 58.200 0.035 0.000 1.066 727 S CB 0.636 63.863 63.200 0.044 0.000 0.929 727 S HN 0.470 nan 8.310 nan 0.000 0.494 728 V N 2.637 122.566 119.914 0.025 0.000 3.455 728 V HA 0.249 4.383 4.120 0.024 0.000 0.250 728 V C 1.013 177.119 176.094 0.020 0.000 1.230 728 V CA 0.474 62.786 62.300 0.021 0.000 1.105 728 V CB -1.159 30.673 31.823 0.016 0.000 0.850 728 V HN 0.857 nan 8.190 nan 0.000 0.461 729 T N 1.668 116.234 114.554 0.020 0.000 2.940 729 T HA 0.496 4.860 4.350 0.024 0.000 0.309 729 T C -0.230 174.481 174.700 0.018 0.000 1.056 729 T CA -0.268 61.843 62.100 0.018 0.000 1.137 729 T CB 0.689 69.568 68.868 0.019 0.000 0.976 729 T HN 0.236 nan 8.240 nan 0.000 0.547 730 L N 3.800 125.032 121.223 0.014 0.000 2.417 730 L HA 0.426 4.781 4.340 0.024 0.000 0.268 730 L C -1.594 175.281 176.870 0.010 0.000 1.158 730 L CA -1.643 53.204 54.840 0.011 0.000 0.819 730 L CB -0.757 41.305 42.059 0.005 0.000 1.112 730 L HN 0.582 nan 8.230 nan 0.000 0.458 731 P HA 0.273 nan 4.420 nan 0.000 0.272 731 P C -0.780 176.512 177.300 -0.014 0.000 1.223 731 P CA -0.549 62.553 63.100 0.004 0.000 0.784 731 P CB 0.563 32.267 31.700 0.006 0.000 0.923 732 A N 2.210 125.017 122.820 -0.021 0.000 2.498 732 A HA 0.426 4.760 4.320 0.024 0.000 0.239 732 A C 0.648 178.168 177.584 -0.108 0.000 1.068 732 A CA 0.014 52.022 52.037 -0.048 0.000 0.766 732 A CB -0.556 18.425 19.000 -0.032 0.000 1.003 732 A HN 0.705 nan 8.150 nan 0.000 0.497 733 A N 2.835 125.591 122.820 -0.107 0.000 2.584 733 A HA 0.405 4.739 4.320 0.024 0.000 0.239 733 A C 1.024 178.456 177.584 -0.253 0.000 1.043 733 A CA 0.518 52.479 52.037 -0.126 0.000 0.756 733 A CB -0.589 18.363 19.000 -0.080 0.000 0.963 733 A HN 1.952 nan 8.150 nan 0.000 0.511 734 S N 2.455 118.043 115.700 -0.186 0.000 2.498 734 S HA 0.146 4.631 4.470 0.024 0.000 0.281 734 S C 0.616 175.109 174.600 -0.178 0.000 1.265 734 S CA 0.209 58.287 58.200 -0.203 0.000 1.071 734 S CB 0.015 63.171 63.200 -0.074 0.000 0.894 734 S HN 0.742 nan 8.310 nan 0.000 0.491 735 H N 2.763 121.847 119.070 0.023 0.000 2.299 735 H HA 0.241 4.811 4.556 0.024 0.000 0.302 735 H C 1.143 176.486 175.328 0.024 0.000 1.078 735 H CA 1.422 57.483 56.048 0.022 0.000 1.323 735 H CB -0.046 29.729 29.762 0.022 0.000 1.381 735 H HN 0.845 nan 8.280 nan 0.000 0.498 736 A N 0.603 123.516 122.820 0.155 0.000 2.354 736 A HA 0.559 4.894 4.320 0.024 0.000 0.321 736 A C -0.817 176.812 177.584 0.075 0.000 1.125 736 A CA -0.721 51.378 52.037 0.103 0.000 0.799 736 A CB 0.937 20.000 19.000 0.105 0.000 1.293 736 A HN 0.325 nan 8.150 nan 0.000 0.452 737 I N 1.812 122.423 120.570 0.068 0.000 2.378 737 I HA 0.494 4.678 4.170 0.024 0.000 0.291 737 I C -2.454 173.714 176.117 0.084 0.000 0.992 737 I CA -2.582 58.753 61.300 0.059 0.000 1.154 737 I CB 2.026 40.052 38.000 0.044 0.000 1.315 737 I HN 0.350 nan 8.210 nan 0.000 0.448 738 P HA 0.077 nan 4.420 nan 0.000 0.268 738 P C -1.234 176.137 177.300 0.118 0.000 1.204 738 P CA 0.217 63.381 63.100 0.107 0.000 0.768 738 P CB 0.274 32.000 31.700 0.043 0.000 0.842 739 H N 3.219 122.330 119.070 0.068 0.000 2.463 739 H HA 0.398 4.969 4.556 0.024 0.000 0.332 739 H C -1.154 174.215 175.328 0.068 0.000 1.127 739 H CA -0.853 55.228 56.048 0.055 0.000 1.238 739 H CB 1.200 30.995 29.762 0.054 0.000 1.478 739 H HN 0.243 nan 8.280 nan 0.000 0.499 740 L N 4.467 125.316 121.223 -0.624 0.000 2.282 740 L HA 0.301 4.655 4.340 0.024 0.000 0.288 740 L C -0.712 175.891 176.870 -0.445 0.000 1.033 740 L CA -0.157 54.458 54.840 -0.375 0.000 0.807 740 L CB 1.438 43.341 42.059 -0.260 0.000 1.209 740 L HN 0.568 nan 8.230 nan 0.000 0.423 741 T N 2.919 117.455 114.554 -0.029 0.000 2.821 741 T HA 0.362 4.727 4.350 0.024 0.000 0.307 741 T C -0.041 174.759 174.700 0.168 0.000 1.034 741 T CA -0.364 61.807 62.100 0.120 0.000 0.953 741 T CB 0.546 69.541 68.868 0.212 0.000 0.968 741 T HN 0.641 nan 8.240 nan 0.000 0.462 742 T N 3.766 118.417 114.554 0.163 0.000 2.744 742 T HA 0.551 4.915 4.350 0.024 0.000 0.291 742 T C 0.467 175.247 174.700 0.134 0.000 0.957 742 T CA -0.575 61.674 62.100 0.248 0.000 1.002 742 T CB 0.629 69.663 68.868 0.276 0.000 0.919 742 T HN 0.726 nan 8.240 nan 0.000 0.468 743 S N 2.008 117.753 115.700 0.074 0.000 2.715 743 S HA 0.484 4.969 4.470 0.024 0.000 0.307 743 S C 1.133 175.706 174.600 -0.046 0.000 1.119 743 S CA -0.838 57.373 58.200 0.019 0.000 0.937 743 S CB 1.712 64.925 63.200 0.021 0.000 1.150 743 S HN 0.579 nan 8.310 nan 0.000 0.521 744 E N -0.010 120.169 120.200 -0.035 0.000 2.130 744 E HA -0.187 4.177 4.350 0.024 0.000 0.196 744 E C 1.643 178.187 176.600 -0.093 0.000 0.998 744 E CA 1.918 58.286 56.400 -0.054 0.000 0.806 744 E CB -0.236 29.448 29.700 -0.027 0.000 0.738 744 E HN 0.660 nan 8.360 nan 0.000 0.459 745 M N -0.260 119.293 119.600 -0.078 0.000 2.545 745 M HA 0.214 4.709 4.480 0.024 0.000 0.264 745 M C -0.839 175.392 176.300 -0.115 0.000 1.155 745 M CA 0.721 55.975 55.300 -0.076 0.000 1.162 745 M CB 0.705 33.291 32.600 -0.025 0.000 1.330 745 M HN -0.088 nan 8.290 nan 0.000 0.479 746 D N -1.332 118.997 120.400 -0.117 0.000 2.756 746 D HA 0.369 5.023 4.640 0.024 0.000 0.226 746 D C -1.474 174.779 176.300 -0.078 0.000 1.186 746 D CA -0.341 53.608 54.000 -0.085 0.000 0.845 746 D CB 1.253 42.087 40.800 0.057 0.000 1.610 746 D HN -0.155 nan 8.370 nan 0.000 0.465 747 F N 0.977 121.006 119.950 0.133 0.000 2.411 747 F HA 0.390 4.931 4.527 0.024 0.000 0.355 747 F C 0.029 175.958 175.800 0.214 0.000 1.117 747 F CA -1.150 56.925 58.000 0.125 0.000 1.139 747 F CB 0.866 39.904 39.000 0.064 0.000 1.120 747 F HN 0.232 nan 8.300 nan 0.000 0.493 748 C N 5.667 125.183 119.300 0.361 0.000 2.345 748 C HA 0.713 5.187 4.460 0.024 0.000 0.323 748 C C -0.059 175.106 174.990 0.291 0.000 1.276 748 C CA -0.815 58.393 59.018 0.317 0.000 1.543 748 C CB 0.091 27.969 27.740 0.230 0.000 2.211 748 C HN 0.575 nan 8.230 nan 0.000 0.493 749 I N 3.550 124.344 120.570 0.373 0.000 2.441 749 I HA 0.481 4.665 4.170 0.024 0.000 0.295 749 I C -0.074 176.329 176.117 0.477 0.000 0.994 749 I CA 0.090 61.605 61.300 0.358 0.000 1.144 749 I CB 1.358 39.531 38.000 0.289 0.000 1.314 749 I HN 0.570 nan 8.210 nan 0.000 0.445 750 E N 5.380 125.808 120.200 0.379 0.000 2.272 750 E HA 0.768 5.132 4.350 0.024 0.000 0.269 750 E C -1.602 175.193 176.600 0.324 0.000 0.877 750 E CA -0.708 55.892 56.400 0.332 0.000 0.755 750 E CB 2.610 32.435 29.700 0.209 0.000 1.192 750 E HN 0.369 nan 8.360 nan 0.000 0.422 751 L N 2.770 124.188 121.223 0.326 0.000 2.639 751 L HA 0.589 4.943 4.340 0.024 0.000 0.264 751 L C 0.146 177.114 176.870 0.164 0.000 0.948 751 L CA 0.611 55.603 54.840 0.253 0.000 0.912 751 L CB 1.316 43.565 42.059 0.317 0.000 1.294 751 L HN 0.660 nan 8.230 nan 0.000 0.412 752 G N 4.509 113.367 108.800 0.096 0.000 2.556 752 G HA2 -0.406 3.569 3.960 0.024 0.000 0.283 752 G HA3 -0.406 3.569 3.960 0.024 0.000 0.283 752 G C 0.501 175.406 174.900 0.008 0.000 1.177 752 G CA 0.627 45.755 45.100 0.046 0.000 0.978 752 G HN 1.359 nan 8.290 nan 0.000 0.554 753 N N 1.120 119.808 118.700 -0.020 0.000 2.412 753 N HA 0.104 4.858 4.740 0.024 0.000 0.184 753 N C 0.654 176.106 175.510 -0.096 0.000 1.101 753 N CA 1.058 54.076 53.050 -0.053 0.000 0.881 753 N CB 0.096 38.551 38.487 -0.054 0.000 0.969 753 N HN 0.746 nan 8.380 nan 0.000 0.459 754 K N 0.332 120.654 120.400 -0.130 0.000 2.185 754 K HA 0.358 4.692 4.320 0.024 0.000 0.271 754 K C -0.325 176.029 176.600 -0.409 0.000 1.013 754 K CA -0.350 55.723 56.287 -0.357 0.000 0.943 754 K CB 1.257 33.481 32.500 -0.461 0.000 0.998 754 K HN 0.028 nan 8.250 nan 0.000 0.468 755 R N 1.747 121.871 120.500 -0.627 0.000 2.535 755 R HA 0.309 4.663 4.340 0.024 0.000 0.274 755 R C -1.730 174.358 176.300 -0.353 0.000 1.090 755 R CA -0.572 55.380 56.100 -0.247 0.000 0.930 755 R CB 1.142 31.460 30.300 0.029 0.000 1.223 755 R HN 0.607 nan 8.270 nan 0.000 0.441 756 W N 3.397 124.768 121.300 0.117 0.000 2.702 756 W HA 0.379 5.053 4.660 0.024 0.000 0.331 756 W C -0.567 175.983 176.519 0.052 0.000 1.049 756 W CA -0.683 56.658 57.345 -0.007 0.000 1.230 756 W CB 2.195 31.636 29.460 -0.032 0.000 1.408 756 W HN 0.400 nan 8.180 nan 0.000 0.492 757 Q N 2.511 122.370 119.800 0.098 0.000 2.330 757 Q HA 0.420 4.774 4.340 0.024 0.000 0.269 757 Q C -1.873 174.044 176.000 -0.138 0.000 1.022 757 Q CA -0.547 55.329 55.803 0.121 0.000 0.796 757 Q CB 1.540 30.424 28.738 0.243 0.000 1.271 757 Q HN 0.389 nan 8.270 nan 0.000 0.450 758 F N 2.929 122.956 119.950 0.129 0.000 2.402 758 F HA 0.285 4.826 4.527 0.024 0.000 0.355 758 F C 0.582 176.412 175.800 0.051 0.000 1.123 758 F CA -0.862 57.184 58.000 0.077 0.000 1.021 758 F CB 1.214 40.267 39.000 0.089 0.000 1.160 758 F HN 0.461 nan 8.300 nan 0.000 0.451 759 N N 3.790 122.597 118.700 0.179 0.000 2.431 759 N HA 0.045 4.799 4.740 0.024 0.000 0.265 759 N C 1.005 176.549 175.510 0.056 0.000 1.184 759 N CA 0.206 53.315 53.050 0.099 0.000 0.943 759 N CB 0.634 39.187 38.487 0.109 0.000 1.080 759 N HN 0.690 nan 8.380 nan 0.000 0.477 760 R N 2.390 122.845 120.500 -0.075 0.000 2.280 760 R HA -0.069 4.285 4.340 0.024 0.000 0.207 760 R C 1.363 177.611 176.300 -0.086 0.000 1.043 760 R CA 0.874 56.871 56.100 -0.173 0.000 1.006 760 R CB 0.279 30.334 30.300 -0.410 0.000 0.885 760 R HN 0.674 nan 8.270 nan 0.000 0.467 761 Q N -0.747 119.034 119.800 -0.032 0.000 2.396 761 Q HA -0.007 4.348 4.340 0.024 0.000 0.220 761 Q C 1.816 177.836 176.000 0.032 0.000 0.900 761 Q CA 0.903 56.699 55.803 -0.011 0.000 0.925 761 Q CB 0.604 29.341 28.738 -0.002 0.000 1.065 761 Q HN 0.260 nan 8.270 nan 0.000 0.535 762 S N -1.984 113.771 115.700 0.092 0.000 2.456 762 S HA 0.180 4.664 4.470 0.024 0.000 0.224 762 S C 1.492 176.197 174.600 0.176 0.000 1.035 762 S CA 0.706 59.030 58.200 0.205 0.000 0.940 762 S CB 0.585 63.970 63.200 0.308 0.000 0.799 762 S HN 0.491 nan 8.310 nan 0.000 0.508 763 G N 0.321 109.171 108.800 0.083 0.000 2.157 763 G HA2 -0.200 3.774 3.960 0.024 0.000 0.248 763 G HA3 -0.200 3.774 3.960 0.024 0.000 0.248 763 G C -0.136 174.740 174.900 -0.039 0.000 0.979 763 G CA 0.295 45.397 45.100 0.005 0.000 0.650 763 G HN 0.501 nan 8.290 nan 0.000 0.529 764 F N -0.813 119.310 119.950 0.290 0.000 2.523 764 F HA 0.701 5.242 4.527 0.024 0.000 0.329 764 F C 0.512 176.383 175.800 0.118 0.000 1.061 764 F CA -1.435 56.696 58.000 0.218 0.000 0.967 764 F CB 1.348 40.420 39.000 0.119 0.000 1.218 764 F HN 0.013 nan 8.300 nan 0.000 0.480 765 L N 2.043 123.370 121.223 0.173 0.000 2.565 765 L HA 0.140 4.495 4.340 0.024 0.000 0.275 765 L C 1.037 177.826 176.870 -0.134 0.000 1.137 765 L CA 0.523 55.157 54.840 -0.344 0.000 0.915 765 L CB -0.005 41.775 42.059 -0.465 0.000 1.232 765 L HN 0.736 nan 8.230 nan 0.000 0.473 766 S N 2.567 118.181 115.700 -0.143 0.000 2.456 766 S HA 0.178 4.663 4.470 0.024 0.000 0.224 766 S C 0.639 175.118 174.600 -0.202 0.000 1.035 766 S CA -0.035 58.112 58.200 -0.089 0.000 0.940 766 S CB 0.047 63.241 63.200 -0.010 0.000 0.799 766 S HN 0.646 nan 8.310 nan 0.000 0.508 767 Q N -0.069 119.548 119.800 -0.304 0.000 2.391 767 Q HA 0.667 5.022 4.340 0.024 0.000 0.279 767 Q C -1.766 173.865 176.000 -0.615 0.000 1.028 767 Q CA -0.327 55.151 55.803 -0.542 0.000 0.836 767 Q CB 2.044 30.326 28.738 -0.760 0.000 1.414 767 Q HN 0.431 nan 8.270 nan 0.000 0.397 768 M N 2.771 121.914 119.600 -0.762 0.000 2.327 768 M HA 0.541 5.035 4.480 0.024 0.000 0.298 768 M C -1.806 174.076 176.300 -0.695 0.000 1.065 768 M CA -0.356 54.552 55.300 -0.653 0.000 0.916 768 M CB 1.393 33.620 32.600 -0.622 0.000 1.630 768 M HN 0.619 nan 8.290 nan 0.000 0.442 769 W N 5.878 126.940 121.300 -0.397 0.000 2.529 769 W HA 0.478 5.153 4.660 0.024 0.000 0.321 769 W C -1.052 175.253 176.519 -0.356 0.000 1.047 769 W CA -0.671 56.495 57.345 -0.299 0.000 1.216 769 W CB 1.383 30.709 29.460 -0.224 0.000 1.357 769 W HN 0.524 nan 8.180 nan 0.000 0.489 770 I N 4.076 124.608 120.570 -0.064 0.000 2.307 770 I HA 0.231 4.416 4.170 0.024 0.000 0.287 770 I C 1.115 177.210 176.117 -0.037 0.000 1.054 770 I CA 0.506 61.740 61.300 -0.110 0.000 1.218 770 I CB 0.396 38.309 38.000 -0.145 0.000 1.398 770 I HN 0.776 nan 8.210 nan 0.000 0.475 771 G N 5.522 114.294 108.800 -0.047 0.000 2.815 771 G HA2 -0.429 3.545 3.960 0.024 0.000 0.326 771 G HA3 -0.429 3.545 3.960 0.024 0.000 0.326 771 G C 0.765 175.656 174.900 -0.016 0.000 1.191 771 G CA 0.960 46.036 45.100 -0.040 0.000 0.965 771 G HN 0.588 nan 8.290 nan 0.000 0.564 772 D N 0.554 120.960 120.400 0.010 0.000 2.338 772 D HA 0.170 4.825 4.640 0.024 0.000 0.208 772 D C 0.738 177.131 176.300 0.155 0.000 0.997 772 D CA 0.695 54.708 54.000 0.022 0.000 0.880 772 D CB 0.068 40.866 40.800 -0.004 0.000 0.980 772 D HN 0.297 nan 8.370 nan 0.000 0.509 773 K N 1.174 121.671 120.400 0.162 0.000 2.138 773 K HA 0.307 4.641 4.320 0.024 0.000 0.263 773 K C -0.178 176.484 176.600 0.103 0.000 0.965 773 K CA -0.523 55.846 56.287 0.136 0.000 0.868 773 K CB 1.756 34.276 32.500 0.033 0.000 1.083 773 K HN 0.005 nan 8.250 nan 0.000 0.443 774 K N 2.133 122.517 120.400 -0.027 0.000 2.350 774 K HA 0.055 4.389 4.320 0.024 0.000 0.279 774 K C 1.013 177.457 176.600 -0.260 0.000 1.027 774 K CA -0.217 55.846 56.287 -0.373 0.000 0.969 774 K CB 0.712 33.038 32.500 -0.291 0.000 0.954 774 K HN 0.319 nan 8.250 nan 0.000 0.474 775 Q N 1.350 120.948 119.800 -0.337 0.000 2.392 775 Q HA 0.188 4.543 4.340 0.024 0.000 0.219 775 Q C 0.226 176.139 176.000 -0.146 0.000 0.895 775 Q CA 0.539 56.257 55.803 -0.141 0.000 0.929 775 Q CB 0.457 29.160 28.738 -0.059 0.000 1.077 775 Q HN 0.530 nan 8.270 nan 0.000 0.532 776 L N 0.453 121.521 121.223 -0.258 0.000 2.334 776 L HA 0.389 4.744 4.340 0.024 0.000 0.273 776 L C 0.905 177.636 176.870 -0.232 0.000 1.013 776 L CA -0.347 54.359 54.840 -0.224 0.000 0.816 776 L CB 1.520 43.440 42.059 -0.232 0.000 1.278 776 L HN -0.060 nan 8.230 nan 0.000 0.431 777 L N 0.255 121.335 121.223 -0.239 0.000 2.749 777 L HA 0.261 4.615 4.340 0.024 0.000 0.242 777 L C -0.093 176.656 176.870 -0.203 0.000 1.103 777 L CA 0.510 55.219 54.840 -0.218 0.000 0.906 777 L CB 0.973 42.884 42.059 -0.246 0.000 1.228 777 L HN 0.612 nan 8.230 nan 0.000 0.517 778 T N 0.165 114.575 114.554 -0.239 0.000 2.952 778 T HA 0.385 4.750 4.350 0.024 0.000 0.305 778 T C -2.606 172.012 174.700 -0.136 0.000 1.064 778 T CA -1.121 60.882 62.100 -0.163 0.000 1.008 778 T CB 2.500 71.261 68.868 -0.178 0.000 1.078 778 T HN -0.291 nan 8.240 nan 0.000 0.459 779 P HA 0.137 nan 4.420 nan 0.000 0.269 779 P C -0.560 176.703 177.300 -0.062 0.000 1.217 779 P CA -0.674 62.384 63.100 -0.070 0.000 0.783 779 P CB 0.439 32.115 31.700 -0.039 0.000 0.898 780 L N 3.424 124.658 121.223 0.018 0.000 2.385 780 L HA 0.224 4.578 4.340 0.024 0.000 0.281 780 L C 0.207 177.107 176.870 0.049 0.000 1.106 780 L CA 0.704 55.599 54.840 0.090 0.000 0.856 780 L CB -0.525 41.682 42.059 0.247 0.000 1.186 780 L HN 0.278 nan 8.230 nan 0.000 0.453 781 R N 2.784 123.218 120.500 -0.110 0.000 2.854 781 R HA 0.443 4.798 4.340 0.024 0.000 0.271 781 R C -1.103 175.145 176.300 -0.087 0.000 0.994 781 R CA -1.062 54.830 56.100 -0.347 0.000 0.945 781 R CB 1.324 31.217 30.300 -0.678 0.000 1.194 781 R HN 0.532 nan 8.270 nan 0.000 0.476 782 D N 1.444 121.872 120.400 0.047 0.000 2.389 782 D HA 0.050 4.705 4.640 0.024 0.000 0.247 782 D C -0.491 175.542 176.300 -0.445 0.000 1.128 782 D CA 0.280 54.156 54.000 -0.207 0.000 0.884 782 D CB 0.851 41.499 40.800 -0.252 0.000 1.194 782 D HN 0.187 nan 8.370 nan 0.000 0.441 783 Q N 1.786 121.182 119.800 -0.673 0.000 2.333 783 Q HA 0.366 4.721 4.340 0.024 0.000 0.267 783 Q C -0.983 174.415 176.000 -1.003 0.000 1.012 783 Q CA -0.603 54.819 55.803 -0.634 0.000 0.824 783 Q CB 0.733 29.252 28.738 -0.364 0.000 1.290 783 Q HN 0.496 nan 8.270 nan 0.000 0.449 784 F N 0.675 120.251 119.950 -0.624 0.000 2.706 784 F HA 0.190 4.731 4.527 0.024 0.000 0.313 784 F C 0.496 175.844 175.800 -0.754 0.000 1.096 784 F CA -0.162 57.324 58.000 -0.856 0.000 1.219 784 F CB 1.308 39.399 39.000 -1.515 0.000 1.051 784 F HN 0.454 nan 8.300 nan 0.000 0.568 785 T N -0.810 113.446 114.554 -0.498 0.000 2.930 785 T HA 0.748 5.112 4.350 0.024 0.000 0.290 785 T C -0.499 173.945 174.700 -0.426 0.000 1.052 785 T CA -0.981 60.751 62.100 -0.613 0.000 1.017 785 T CB 2.736 71.170 68.868 -0.724 0.000 1.137 785 T HN 0.235 nan 8.240 nan 0.000 0.511 786 R N 0.292 120.566 120.500 -0.377 0.000 2.807 786 R HA 0.768 5.122 4.340 0.024 0.000 0.276 786 R C -0.489 175.856 176.300 0.075 0.000 0.979 786 R CA -1.164 54.859 56.100 -0.127 0.000 0.928 786 R CB 1.493 31.734 30.300 -0.098 0.000 1.191 786 R HN 0.827 nan 8.270 nan 0.000 0.471 787 A N 3.920 126.777 122.820 0.063 0.000 2.553 787 A HA 0.192 4.527 4.320 0.024 0.000 0.258 787 A C -1.902 175.751 177.584 0.115 0.000 1.069 787 A CA -0.916 51.162 52.037 0.068 0.000 0.767 787 A CB -0.602 18.384 19.000 -0.024 0.000 0.997 787 A HN 0.577 nan 8.150 nan 0.000 0.512 788 P HA 0.150 nan 4.420 nan 0.000 0.268 788 P C -0.205 177.200 177.300 0.175 0.000 1.204 788 P CA 0.287 63.545 63.100 0.264 0.000 0.768 788 P CB 0.453 32.331 31.700 0.296 0.000 0.842 789 L N 2.251 123.548 121.223 0.124 0.000 2.479 789 L HA 0.201 4.556 4.340 0.024 0.000 0.249 789 L C 1.859 178.741 176.870 0.020 0.000 1.178 789 L CA -0.584 54.269 54.840 0.021 0.000 0.811 789 L CB -0.214 41.788 42.059 -0.094 0.000 1.187 789 L HN 0.251 nan 8.230 nan 0.000 0.480 790 D N 0.170 120.516 120.400 -0.089 0.000 2.123 790 D HA -0.157 4.498 4.640 0.024 0.000 0.196 790 D C 1.668 177.888 176.300 -0.132 0.000 0.992 790 D CA 1.446 55.320 54.000 -0.210 0.000 0.833 790 D CB -0.139 40.463 40.800 -0.331 0.000 0.954 790 D HN 0.479 nan 8.370 nan 0.000 0.455 791 N N 1.043 119.687 118.700 -0.095 0.000 2.309 791 N HA -0.102 4.652 4.740 0.024 0.000 0.182 791 N C 1.178 176.698 175.510 0.016 0.000 1.018 791 N CA 0.671 53.693 53.050 -0.048 0.000 0.876 791 N CB -0.153 38.295 38.487 -0.065 0.000 0.972 791 N HN 0.255 nan 8.380 nan 0.000 0.434 792 D N 0.639 121.061 120.400 0.035 0.000 2.123 792 D HA 0.011 4.665 4.640 0.024 0.000 0.200 792 D C 2.082 178.427 176.300 0.075 0.000 0.976 792 D CA 0.542 54.595 54.000 0.090 0.000 0.831 792 D CB -0.001 40.934 40.800 0.224 0.000 0.974 792 D HN 0.279 nan 8.370 nan 0.000 0.469 793 I N 0.365 120.968 120.570 0.056 0.000 2.206 793 I HA 0.030 4.214 4.170 0.024 0.000 0.239 793 I C 1.910 178.049 176.117 0.037 0.000 1.078 793 I CA 0.965 62.287 61.300 0.036 0.000 1.367 793 I CB -0.551 37.447 38.000 -0.005 0.000 1.078 793 I HN 0.130 nan 8.210 nan 0.000 0.413 794 G N 0.810 109.636 108.800 0.044 0.000 2.514 794 G HA2 -0.321 3.653 3.960 0.024 0.000 0.265 794 G HA3 -0.321 3.653 3.960 0.024 0.000 0.265 794 G C 0.685 175.777 174.900 0.321 0.000 1.150 794 G CA 0.734 45.934 45.100 0.167 0.000 0.959 794 G HN 0.572 nan 8.290 nan 0.000 0.556 795 V N -1.534 118.526 119.914 0.243 0.000 3.608 795 V HA 0.530 4.664 4.120 0.024 0.000 0.269 795 V C 1.501 177.644 176.094 0.083 0.000 1.245 795 V CA 1.476 63.873 62.300 0.161 0.000 1.138 795 V CB -0.003 31.804 31.823 -0.027 0.000 0.841 795 V HN 1.413 nan 8.190 nan 0.000 0.451 796 S N 1.085 116.823 115.700 0.063 0.000 2.552 796 S HA 0.223 4.707 4.470 0.024 0.000 0.289 796 S C -0.007 174.616 174.600 0.037 0.000 1.304 796 S CA 0.111 58.329 58.200 0.030 0.000 1.063 796 S CB 0.062 63.272 63.200 0.017 0.000 0.848 796 S HN 0.795 nan 8.310 nan 0.000 0.499 797 E N 1.363 121.579 120.200 0.027 0.000 2.433 797 E HA 0.536 4.900 4.350 0.024 0.000 0.273 797 E C 0.724 177.342 176.600 0.029 0.000 0.950 797 E CA -0.627 55.793 56.400 0.034 0.000 0.796 797 E CB 1.295 31.016 29.700 0.035 0.000 1.330 797 E HN 0.566 nan 8.360 nan 0.000 0.455 798 A N 0.341 123.183 122.820 0.037 0.000 1.883 798 A HA -0.207 4.127 4.320 0.024 0.000 0.217 798 A C 2.024 179.623 177.584 0.024 0.000 1.186 798 A CA 2.694 54.751 52.037 0.033 0.000 0.624 798 A CB -1.103 17.921 19.000 0.040 0.000 0.822 798 A HN 0.686 nan 8.150 nan 0.000 0.444 799 T N -4.176 110.392 114.554 0.023 0.000 3.067 799 T HA 0.146 4.510 4.350 0.024 0.000 0.261 799 T C 0.989 175.692 174.700 0.005 0.000 1.110 799 T CA 0.779 62.888 62.100 0.015 0.000 1.113 799 T CB -0.020 68.857 68.868 0.016 0.000 0.917 799 T HN 0.331 nan 8.240 nan 0.000 0.499 800 R N 1.245 121.747 120.500 0.003 0.000 2.718 800 R HA 0.337 4.692 4.340 0.024 0.000 0.266 800 R C -0.832 175.463 176.300 -0.008 0.000 1.776 800 R CA -0.609 55.485 56.100 -0.009 0.000 1.567 800 R CB 0.234 30.522 30.300 -0.021 0.000 1.336 800 R HN 0.229 nan 8.270 nan 0.000 0.619 801 I N 1.608 122.175 120.570 -0.006 0.000 2.752 801 I HA -0.049 4.135 4.170 0.024 0.000 0.287 801 I C 0.467 176.572 176.117 -0.019 0.000 1.188 801 I CA 0.638 61.934 61.300 -0.007 0.000 1.427 801 I CB 0.510 38.508 38.000 -0.004 0.000 1.365 801 I HN 0.452 nan 8.210 nan 0.000 0.585 802 D N 8.660 129.046 120.400 -0.023 0.000 2.462 802 D HA 0.278 4.933 4.640 0.024 0.000 0.249 802 D C -1.597 174.667 176.300 -0.061 0.000 1.117 802 D CA -2.193 51.784 54.000 -0.038 0.000 0.900 802 D CB 1.464 42.246 40.800 -0.030 0.000 1.039 802 D HN 0.177 nan 8.370 nan 0.000 0.516 803 P HA -0.157 nan 4.420 nan 0.000 0.219 803 P C 1.003 178.217 177.300 -0.144 0.000 1.146 803 P CA 0.777 63.825 63.100 -0.088 0.000 0.808 803 P CB 0.425 32.083 31.700 -0.072 0.000 0.779 804 N N 0.188 118.799 118.700 -0.148 0.000 2.409 804 N HA -0.014 4.740 4.740 0.024 0.000 0.179 804 N C 0.525 175.857 175.510 -0.296 0.000 1.032 804 N CA 0.267 53.190 53.050 -0.212 0.000 0.898 804 N CB -0.520 37.874 38.487 -0.155 0.000 0.971 804 N HN -0.021 nan 8.380 nan 0.000 0.441 805 A N -0.618 122.073 122.820 -0.215 0.000 2.445 805 A HA 0.105 4.439 4.320 0.024 0.000 0.242 805 A C 0.681 178.078 177.584 -0.312 0.000 1.075 805 A CA -0.386 51.527 52.037 -0.206 0.000 0.777 805 A CB -0.202 18.749 19.000 -0.082 0.000 1.013 805 A HN 0.558 nan 8.150 nan 0.000 0.493 806 W N 1.626 122.694 121.300 -0.388 0.000 2.335 806 W HA -0.179 4.495 4.660 0.024 0.000 0.311 806 W C 2.238 178.189 176.519 -0.947 0.000 1.213 806 W CA 1.769 58.637 57.345 -0.795 0.000 1.274 806 W CB -0.232 28.692 29.460 -0.893 0.000 1.148 806 W HN 0.568 nan 8.180 nan 0.000 0.498 807 V N 0.876 120.687 119.914 -0.172 0.000 2.332 807 V HA -0.275 3.860 4.120 0.024 0.000 0.248 807 V C 2.121 178.304 176.094 0.148 0.000 1.055 807 V CA 2.183 64.589 62.300 0.178 0.000 1.038 807 V CB -0.349 31.606 31.823 0.219 0.000 0.651 807 V HN 0.097 nan 8.190 nan 0.000 0.450 808 E N -0.066 120.129 120.200 -0.009 0.000 2.107 808 E HA -0.158 4.206 4.350 0.024 0.000 0.191 808 E C 2.335 178.907 176.600 -0.047 0.000 0.982 808 E CA 1.000 57.394 56.400 -0.010 0.000 0.809 808 E CB -0.363 29.308 29.700 -0.048 0.000 0.756 808 E HN 0.622 nan 8.360 nan 0.000 0.459 809 R N -0.051 120.336 120.500 -0.189 0.000 2.091 809 R HA -0.139 4.216 4.340 0.024 0.000 0.238 809 R C 2.264 178.502 176.300 -0.104 0.000 1.136 809 R CA 1.384 57.342 56.100 -0.236 0.000 0.959 809 R CB -0.176 29.836 30.300 -0.480 0.000 0.856 809 R HN 0.263 nan 8.270 nan 0.000 0.437 810 W N 1.258 122.524 121.300 -0.058 0.000 2.407 810 W HA -0.016 4.659 4.660 0.024 0.000 0.305 810 W C 2.037 178.583 176.519 0.045 0.000 1.196 810 W CA 0.431 57.661 57.345 -0.192 0.000 1.311 810 W CB -0.804 28.651 29.460 -0.007 0.000 1.135 810 W HN 0.071 nan 8.180 nan 0.000 0.514 811 K N 0.228 120.891 120.400 0.438 0.000 2.020 811 K HA -0.166 4.168 4.320 0.024 0.000 0.212 811 K C 2.239 178.936 176.600 0.162 0.000 1.050 811 K CA 2.124 58.612 56.287 0.335 0.000 0.929 811 K CB -0.573 32.050 32.500 0.204 0.000 0.714 811 K HN -0.002 nan 8.250 nan 0.000 0.443 812 A N 0.991 123.871 122.820 0.101 0.000 1.933 812 A HA -0.106 4.228 4.320 0.024 0.000 0.218 812 A C 2.231 179.845 177.584 0.051 0.000 1.175 812 A CA 1.845 53.919 52.037 0.062 0.000 0.628 812 A CB -0.572 18.446 19.000 0.030 0.000 0.814 812 A HN 0.377 nan 8.150 nan 0.000 0.444 813 A N -2.175 120.679 122.820 0.057 0.000 2.119 813 A HA 0.371 4.706 4.320 0.024 0.000 0.217 813 A C 1.926 179.522 177.584 0.020 0.000 1.153 813 A CA 1.479 53.571 52.037 0.090 0.000 0.692 813 A CB -0.714 18.377 19.000 0.152 0.000 0.799 813 A HN 1.858 nan 8.150 nan 0.000 0.458 814 G N -2.391 106.307 108.800 -0.170 0.000 2.179 814 G HA2 -0.263 3.712 3.960 0.024 0.000 0.220 814 G HA3 -0.263 3.712 3.960 0.024 0.000 0.220 814 G C 0.776 175.655 174.900 -0.036 0.000 0.990 814 G CA 0.568 45.288 45.100 -0.632 0.000 0.646 814 G HN 0.628 nan 8.290 nan 0.000 0.517 815 H N -0.843 118.226 119.070 -0.003 0.000 2.292 815 H HA -0.211 4.359 4.556 0.024 0.000 0.292 815 H C 2.193 177.506 175.328 -0.026 0.000 1.100 815 H CA 2.204 58.274 56.048 0.037 0.000 1.238 815 H CB 0.016 29.744 29.762 -0.057 0.000 1.355 815 H HN 0.567 nan 8.280 nan 0.000 0.484 816 Y N 0.590 121.021 120.300 0.217 0.000 2.475 816 Y HA -0.067 4.497 4.550 0.024 0.000 0.289 816 Y C 1.682 177.665 175.900 0.139 0.000 1.121 816 Y CA 0.696 58.883 58.100 0.146 0.000 1.257 816 Y CB 0.391 38.926 38.460 0.125 0.000 1.026 816 Y HN 0.362 nan 8.280 nan 0.000 0.555 817 Q N -0.548 119.413 119.800 0.268 0.000 2.158 817 Q HA 0.534 4.888 4.340 0.024 0.000 0.306 817 Q C -0.217 175.971 176.000 0.313 0.000 0.878 817 Q CA -0.364 55.595 55.803 0.260 0.000 1.136 817 Q CB 0.530 29.417 28.738 0.249 0.000 1.253 817 Q HN 0.137 nan 8.270 nan 0.000 0.441 818 A N 1.193 124.210 122.820 0.328 0.000 2.340 818 A HA 0.457 4.791 4.320 0.024 0.000 0.268 818 A C -0.440 177.389 177.584 0.408 0.000 1.100 818 A CA -0.221 52.063 52.037 0.411 0.000 0.803 818 A CB 0.603 19.899 19.000 0.493 0.000 1.043 818 A HN 0.411 nan 8.150 nan 0.000 0.488 819 E N 0.505 120.858 120.200 0.256 0.000 2.212 819 E HA 0.523 4.887 4.350 0.024 0.000 0.268 819 E C -0.500 175.957 176.600 -0.238 0.000 0.902 819 E CA -0.852 55.594 56.400 0.078 0.000 0.779 819 E CB 2.037 31.784 29.700 0.079 0.000 1.172 819 E HN 0.795 nan 8.360 nan 0.000 0.409 820 A N 2.047 124.634 122.820 -0.388 0.000 2.444 820 A HA 0.482 4.816 4.320 0.024 0.000 0.273 820 A C -0.176 177.298 177.584 -0.182 0.000 1.136 820 A CA -0.091 51.586 52.037 -0.601 0.000 0.799 820 A CB 0.032 18.891 19.000 -0.234 0.000 1.081 820 A HN 0.547 nan 8.150 nan 0.000 0.509 821 A N 3.193 125.894 122.820 -0.199 0.000 2.271 821 A HA 0.577 4.911 4.320 0.024 0.000 0.317 821 A C -0.296 177.194 177.584 -0.157 0.000 1.245 821 A CA -0.564 51.412 52.037 -0.101 0.000 0.857 821 A CB 0.384 19.343 19.000 -0.069 0.000 1.175 821 A HN 1.136 nan 8.150 nan 0.000 0.512 822 L N 2.965 124.071 121.223 -0.196 0.000 2.410 822 L HA 0.288 4.643 4.340 0.024 0.000 0.273 822 L C 0.535 177.265 176.870 -0.232 0.000 1.152 822 L CA 0.440 55.052 54.840 -0.381 0.000 0.855 822 L CB 0.385 42.262 42.059 -0.304 0.000 1.129 822 L HN 0.781 nan 8.230 nan 0.000 0.463 823 L N 2.914 123.992 121.223 -0.242 0.000 2.500 823 L HA 0.336 4.691 4.340 0.024 0.000 0.219 823 L C 0.429 177.240 176.870 -0.097 0.000 1.057 823 L CA 0.036 54.805 54.840 -0.118 0.000 0.854 823 L CB 0.054 42.075 42.059 -0.063 0.000 1.078 823 L HN 0.674 nan 8.230 nan 0.000 0.480 824 Q N -0.284 119.440 119.800 -0.128 0.000 2.386 824 Q HA 0.327 4.681 4.340 0.024 0.000 0.274 824 Q C -2.080 173.882 176.000 -0.063 0.000 1.011 824 Q CA -0.427 55.337 55.803 -0.066 0.000 0.867 824 Q CB 3.190 31.911 28.738 -0.028 0.000 1.409 824 Q HN 0.089 nan 8.270 nan 0.000 0.395 825 C N 3.332 122.635 119.300 0.005 0.000 3.102 825 C HA 0.602 5.076 4.460 0.024 0.000 0.363 825 C C -0.637 174.486 174.990 0.223 0.000 1.048 825 C CA 0.210 59.278 59.018 0.084 0.000 1.330 825 C CB 0.201 27.977 27.740 0.060 0.000 1.771 825 C HN 0.807 nan 8.230 nan 0.000 0.526 826 T N 2.122 116.746 114.554 0.117 0.000 2.932 826 T HA 0.895 5.260 4.350 0.024 0.000 0.289 826 T C -0.273 174.220 174.700 -0.344 0.000 1.039 826 T CA -0.300 61.803 62.100 0.006 0.000 1.024 826 T CB 1.982 70.823 68.868 -0.044 0.000 1.090 826 T HN 1.490 nan 8.240 nan 0.000 0.496 827 A N 1.676 124.065 122.820 -0.718 0.000 2.371 827 A HA 0.745 5.080 4.320 0.024 0.000 0.311 827 A C -0.981 176.330 177.584 -0.457 0.000 1.068 827 A CA -0.754 50.762 52.037 -0.870 0.000 0.744 827 A CB 1.170 19.172 19.000 -1.663 0.000 1.239 827 A HN 0.884 nan 8.150 nan 0.000 0.435 828 D N 0.601 120.804 120.400 -0.328 0.000 2.547 828 D HA 0.581 5.235 4.640 0.024 0.000 0.231 828 D C -1.013 175.178 176.300 -0.182 0.000 1.099 828 D CA 0.012 53.886 54.000 -0.209 0.000 0.901 828 D CB 2.395 43.106 40.800 -0.147 0.000 1.478 828 D HN 0.423 nan 8.370 nan 0.000 0.471 829 T N 1.237 115.711 114.554 -0.134 0.000 2.772 829 T HA 0.470 4.835 4.350 0.024 0.000 0.288 829 T C 0.483 175.137 174.700 -0.077 0.000 0.994 829 T CA -0.573 61.462 62.100 -0.108 0.000 0.951 829 T CB 0.703 69.513 68.868 -0.097 0.000 0.933 829 T HN 0.091 nan 8.240 nan 0.000 0.447 830 L N 1.661 122.842 121.223 -0.070 0.000 2.431 830 L HA 0.546 4.900 4.340 0.024 0.000 0.260 830 L C 2.045 178.893 176.870 -0.037 0.000 1.098 830 L CA -1.149 53.661 54.840 -0.050 0.000 0.800 830 L CB 0.302 42.331 42.059 -0.049 0.000 1.210 830 L HN 0.712 nan 8.230 nan 0.000 0.465 831 A N 1.079 123.882 122.820 -0.028 0.000 1.971 831 A HA -0.228 4.107 4.320 0.024 0.000 0.222 831 A C 1.219 178.794 177.584 -0.015 0.000 1.182 831 A CA 2.416 54.442 52.037 -0.019 0.000 0.649 831 A CB -0.538 18.453 19.000 -0.016 0.000 0.818 831 A HN 0.959 nan 8.150 nan 0.000 0.458 832 D N -3.111 117.277 120.400 -0.020 0.000 2.594 832 D HA 0.532 5.186 4.640 0.024 0.000 0.256 832 D C -0.088 176.197 176.300 -0.024 0.000 1.393 832 D CA 0.645 54.635 54.000 -0.016 0.000 0.797 832 D CB -0.334 40.456 40.800 -0.018 0.000 1.110 832 D HN 0.543 nan 8.370 nan 0.000 0.495 833 A N -0.249 122.548 122.820 -0.038 0.000 2.606 833 A HA 0.624 4.958 4.320 0.024 0.000 0.293 833 A C -1.415 176.121 177.584 -0.079 0.000 1.082 833 A CA -0.681 51.321 52.037 -0.058 0.000 0.685 833 A CB 1.809 20.773 19.000 -0.059 0.000 1.284 833 A HN 0.002 nan 8.150 nan 0.000 0.408 834 V N 0.978 120.828 119.914 -0.106 0.000 2.483 834 V HA 0.602 4.737 4.120 0.024 0.000 0.295 834 V C -0.706 175.297 176.094 -0.151 0.000 1.035 834 V CA -0.462 61.755 62.300 -0.137 0.000 0.896 834 V CB 1.321 33.058 31.823 -0.142 0.000 0.986 834 V HN 0.798 nan 8.190 nan 0.000 0.447 835 L N 6.309 127.430 121.223 -0.171 0.000 2.319 835 L HA 0.613 4.968 4.340 0.024 0.000 0.281 835 L C -0.768 175.965 176.870 -0.227 0.000 1.005 835 L CA 0.006 54.752 54.840 -0.157 0.000 0.828 835 L CB 1.186 43.175 42.059 -0.117 0.000 1.227 835 L HN 0.424 nan 8.230 nan 0.000 0.415 836 I N 4.343 124.778 120.570 -0.226 0.000 2.330 836 I HA 0.361 4.545 4.170 0.024 0.000 0.289 836 I C -0.080 175.996 176.117 -0.068 0.000 1.001 836 I CA -0.224 60.901 61.300 -0.291 0.000 1.193 836 I CB 1.360 38.942 38.000 -0.698 0.000 1.345 836 I HN 0.538 nan 8.210 nan 0.000 0.461 837 T N 4.976 119.492 114.554 -0.064 0.000 2.771 837 T HA 0.591 4.955 4.350 0.024 0.000 0.281 837 T C 0.358 175.088 174.700 0.051 0.000 0.982 837 T CA -0.516 61.589 62.100 0.008 0.000 0.978 837 T CB 1.530 70.387 68.868 -0.019 0.000 0.930 837 T HN 0.744 nan 8.240 nan 0.000 0.447 838 T N -0.480 114.138 114.554 0.108 0.000 2.900 838 T HA 0.833 5.198 4.350 0.024 0.000 0.295 838 T C -0.956 173.804 174.700 0.101 0.000 1.044 838 T CA -1.071 61.094 62.100 0.109 0.000 0.995 838 T CB 1.929 70.935 68.868 0.229 0.000 1.072 838 T HN 0.722 nan 8.240 nan 0.000 0.473 839 A N 1.939 124.755 122.820 -0.006 0.000 2.374 839 A HA 0.759 5.093 4.320 0.024 0.000 0.305 839 A C -1.297 176.197 177.584 -0.150 0.000 1.053 839 A CA -0.757 51.295 52.037 0.026 0.000 0.726 839 A CB 0.784 19.794 19.000 0.017 0.000 1.229 839 A HN 0.998 nan 8.150 nan 0.000 0.431 840 H N 0.247 119.383 119.070 0.110 0.000 2.717 840 H HA 0.724 5.294 4.556 0.024 0.000 0.366 840 H C -0.029 175.402 175.328 0.171 0.000 1.132 840 H CA 0.339 56.406 56.048 0.032 0.000 1.180 840 H CB 2.111 31.847 29.762 -0.042 0.000 1.678 840 H HN 0.958 nan 8.280 nan 0.000 0.537 841 A N 2.565 125.453 122.820 0.113 0.000 2.350 841 A HA 0.416 4.750 4.320 0.024 0.000 0.324 841 A C -1.235 176.415 177.584 0.111 0.000 1.118 841 A CA -0.717 51.451 52.037 0.218 0.000 0.783 841 A CB 1.129 20.196 19.000 0.112 0.000 1.236 841 A HN 0.653 nan 8.150 nan 0.000 0.457 842 W N 2.030 123.421 121.300 0.152 0.000 2.294 842 W HA 0.386 5.060 4.660 0.024 0.000 0.314 842 W C -0.444 176.088 176.519 0.022 0.000 1.044 842 W CA -0.162 57.266 57.345 0.139 0.000 1.284 842 W CB 1.442 31.036 29.460 0.223 0.000 1.231 842 W HN 0.747 nan 8.180 nan 0.000 0.419 843 Q N 1.698 121.605 119.800 0.179 0.000 2.342 843 Q HA 0.356 4.710 4.340 0.024 0.000 0.267 843 Q C -0.657 175.455 176.000 0.187 0.000 1.038 843 Q CA -0.525 55.353 55.803 0.124 0.000 0.832 843 Q CB 3.079 31.855 28.738 0.065 0.000 1.323 843 Q HN 0.324 nan 8.270 nan 0.000 0.448 844 H N 2.544 121.644 119.070 0.050 0.000 3.017 844 H HA 0.099 4.670 4.556 0.024 0.000 0.340 844 H C -0.969 174.387 175.328 0.046 0.000 1.014 844 H CA -0.155 55.932 56.048 0.065 0.000 1.341 844 H CB 1.060 30.876 29.762 0.089 0.000 1.739 844 H HN 0.808 nan 8.280 nan 0.000 0.506 845 Q N 3.098 122.739 119.800 -0.265 0.000 2.452 845 Q HA -0.222 4.132 4.340 0.024 0.000 0.318 845 Q C 0.906 176.887 176.000 -0.031 0.000 1.386 845 Q CA 0.977 56.697 55.803 -0.139 0.000 0.872 845 Q CB -1.446 27.236 28.738 -0.093 0.000 1.151 845 Q HN 1.167 nan 8.270 nan 0.000 0.417 846 G N -0.248 108.539 108.800 -0.021 0.000 2.189 846 G HA2 -0.381 3.593 3.960 0.024 0.000 0.267 846 G HA3 -0.381 3.593 3.960 0.024 0.000 0.267 846 G C 0.040 174.949 174.900 0.015 0.000 0.975 846 G CA 0.843 45.943 45.100 -0.000 0.000 0.644 846 G HN 0.344 nan 8.290 nan 0.000 0.537 847 K N 1.388 121.805 120.400 0.029 0.000 2.213 847 K HA 0.609 4.943 4.320 0.024 0.000 0.270 847 K C 0.193 176.804 176.600 0.019 0.000 1.002 847 K CA -0.250 56.053 56.287 0.027 0.000 0.868 847 K CB 0.801 33.325 32.500 0.040 0.000 1.093 847 K HN -0.000 nan 8.250 nan 0.000 0.454 848 T N 6.233 120.789 114.554 0.003 0.000 2.737 848 T HA 0.185 4.549 4.350 0.024 0.000 0.296 848 T C 1.156 175.793 174.700 -0.106 0.000 0.922 848 T CA -0.314 61.783 62.100 -0.006 0.000 1.079 848 T CB 0.276 69.159 68.868 0.026 0.000 0.892 848 T HN 0.516 nan 8.240 nan 0.000 0.514 849 L N 2.053 123.127 121.223 -0.247 0.000 2.121 849 L HA 0.329 4.683 4.340 0.024 0.000 0.200 849 L C -0.115 176.197 176.870 -0.930 0.000 1.077 849 L CA 0.794 55.189 54.840 -0.742 0.000 0.766 849 L CB -0.013 41.315 42.059 -1.218 0.000 0.931 849 L HN 0.484 nan 8.230 nan 0.000 0.452 850 F N -0.506 119.366 119.950 -0.130 0.000 2.556 850 F HA 0.540 5.081 4.527 0.024 0.000 0.314 850 F C -0.375 175.500 175.800 0.124 0.000 1.106 850 F CA -0.841 56.983 58.000 -0.293 0.000 0.911 850 F CB 1.452 39.685 39.000 -1.278 0.000 1.190 850 F HN -0.252 nan 8.300 nan 0.000 0.448 851 I N 1.944 122.699 120.570 0.308 0.000 2.378 851 I HA 0.384 4.568 4.170 0.024 0.000 0.291 851 I C -0.409 175.964 176.117 0.427 0.000 0.992 851 I CA -0.480 61.054 61.300 0.390 0.000 1.154 851 I CB 1.913 40.058 38.000 0.242 0.000 1.315 851 I HN 0.595 nan 8.210 nan 0.000 0.448 852 S N 7.275 123.335 115.700 0.600 0.000 2.498 852 S HA 0.544 5.029 4.470 0.024 0.000 0.317 852 S C -0.605 174.231 174.600 0.392 0.000 1.090 852 S CA -0.718 57.794 58.200 0.521 0.000 1.089 852 S CB 0.598 64.214 63.200 0.694 0.000 0.997 852 S HN 0.543 nan 8.310 nan 0.000 0.470 853 R N 3.667 124.320 120.500 0.254 0.000 2.393 853 R HA 0.501 4.855 4.340 0.024 0.000 0.315 853 R C -0.737 175.625 176.300 0.102 0.000 0.952 853 R CA -0.702 55.502 56.100 0.173 0.000 0.842 853 R CB 1.760 32.138 30.300 0.131 0.000 1.163 853 R HN 0.546 nan 8.270 nan 0.000 0.450 854 K N 1.083 121.533 120.400 0.083 0.000 2.385 854 K HA 0.435 4.769 4.320 0.024 0.000 0.248 854 K C -0.522 176.031 176.600 -0.080 0.000 0.955 854 K CA -0.808 55.449 56.287 -0.050 0.000 0.816 854 K CB 2.521 34.979 32.500 -0.070 0.000 1.250 854 K HN 0.589 nan 8.250 nan 0.000 0.434 855 T N -1.365 113.062 114.554 -0.213 0.000 2.893 855 T HA 0.542 4.906 4.350 0.024 0.000 0.291 855 T C -1.136 173.362 174.700 -0.337 0.000 1.028 855 T CA -0.743 61.262 62.100 -0.159 0.000 0.995 855 T CB 0.558 69.376 68.868 -0.082 0.000 1.051 855 T HN 0.382 nan 8.240 nan 0.000 0.470 856 Y N 0.731 120.982 120.300 -0.082 0.000 2.331 856 Y HA 0.595 5.160 4.550 0.024 0.000 0.334 856 Y C 0.549 176.377 175.900 -0.119 0.000 0.960 856 Y CA -1.064 56.997 58.100 -0.065 0.000 1.130 856 Y CB 1.954 40.373 38.460 -0.070 0.000 1.164 856 Y HN 0.565 nan 8.280 nan 0.000 0.458 857 R N 4.798 125.316 120.500 0.029 0.000 2.363 857 R HA 0.513 4.867 4.340 0.024 0.000 0.297 857 R C -1.543 174.711 176.300 -0.077 0.000 1.208 857 R CA -0.454 55.624 56.100 -0.037 0.000 1.121 857 R CB 0.301 30.583 30.300 -0.029 0.000 1.124 857 R HN 0.759 nan 8.270 nan 0.000 0.561 858 I N 4.639 125.108 120.570 -0.168 0.000 2.301 858 I HA 0.118 4.302 4.170 0.024 0.000 0.292 858 I C 0.163 176.168 176.117 -0.185 0.000 1.046 858 I CA -0.391 60.728 61.300 -0.302 0.000 1.282 858 I CB 0.926 38.536 38.000 -0.649 0.000 1.409 858 I HN 0.563 nan 8.210 nan 0.000 0.484 859 D N 4.002 124.335 120.400 -0.111 0.000 2.588 859 D HA 0.309 4.963 4.640 0.024 0.000 0.268 859 D C 1.378 177.668 176.300 -0.016 0.000 1.176 859 D CA -0.715 53.254 54.000 -0.052 0.000 1.080 859 D CB 0.521 41.305 40.800 -0.027 0.000 1.186 859 D HN 0.384 nan 8.370 nan 0.000 0.619 860 G N -1.329 107.472 108.800 0.002 0.000 2.498 860 G HA2 -0.186 3.788 3.960 0.024 0.000 0.219 860 G HA3 -0.186 3.788 3.960 0.024 0.000 0.219 860 G C 1.202 176.137 174.900 0.059 0.000 1.119 860 G CA 1.022 46.139 45.100 0.029 0.000 0.766 860 G HN 0.527 nan 8.290 nan 0.000 0.552 861 S N -0.977 114.753 115.700 0.050 0.000 2.558 861 S HA 0.358 4.843 4.470 0.024 0.000 0.217 861 S C 1.889 176.558 174.600 0.115 0.000 0.975 861 S CA 0.950 59.197 58.200 0.080 0.000 0.912 861 S CB -0.000 63.235 63.200 0.059 0.000 0.776 861 S HN 1.438 nan 8.310 nan 0.000 0.526 862 G N 0.513 109.388 108.800 0.125 0.000 2.176 862 G HA2 -0.236 3.738 3.960 0.024 0.000 0.253 862 G HA3 -0.236 3.738 3.960 0.024 0.000 0.253 862 G C -0.173 174.856 174.900 0.215 0.000 0.979 862 G CA 0.087 45.322 45.100 0.226 0.000 0.641 862 G HN 0.608 nan 8.290 nan 0.000 0.530 863 Q N -0.300 119.567 119.800 0.111 0.000 2.261 863 Q HA 0.603 4.957 4.340 0.024 0.000 0.252 863 Q C 0.206 176.228 176.000 0.037 0.000 0.915 863 Q CA -0.205 55.667 55.803 0.115 0.000 0.915 863 Q CB 1.471 30.270 28.738 0.102 0.000 1.204 863 Q HN 0.442 nan 8.270 nan 0.000 0.421 864 M N 2.211 121.870 119.600 0.097 0.000 2.047 864 M HA 0.429 4.923 4.480 0.024 0.000 0.342 864 M C -1.177 175.214 176.300 0.151 0.000 1.058 864 M CA -0.447 54.885 55.300 0.054 0.000 0.991 864 M CB 0.786 33.428 32.600 0.070 0.000 1.474 864 M HN 0.683 nan 8.290 nan 0.000 0.419 865 A N 7.103 129.974 122.820 0.085 0.000 2.310 865 A HA 0.576 4.911 4.320 0.024 0.000 0.300 865 A C -0.634 176.973 177.584 0.037 0.000 1.269 865 A CA -0.485 51.598 52.037 0.076 0.000 0.909 865 A CB -0.259 18.767 19.000 0.043 0.000 1.144 865 A HN 0.919 nan 8.150 nan 0.000 0.540 866 I N 2.500 123.085 120.570 0.025 0.000 2.339 866 I HA 0.296 4.481 4.170 0.024 0.000 0.290 866 I C 0.040 176.039 176.117 -0.196 0.000 0.994 866 I CA -0.078 61.133 61.300 -0.149 0.000 1.191 866 I CB 1.977 39.934 38.000 -0.073 0.000 1.343 866 I HN 0.458 nan 8.210 nan 0.000 0.458 867 T N 5.940 120.333 114.554 -0.268 0.000 2.779 867 T HA 0.504 4.869 4.350 0.024 0.000 0.280 867 T C -0.273 174.221 174.700 -0.344 0.000 0.987 867 T CA -0.442 61.503 62.100 -0.258 0.000 0.966 867 T CB 1.534 70.349 68.868 -0.088 0.000 0.933 867 T HN 0.201 nan 8.240 nan 0.000 0.442 868 V N 3.948 123.533 119.914 -0.547 0.000 2.448 868 V HA 0.500 4.635 4.120 0.024 0.000 0.295 868 V C -0.438 175.495 176.094 -0.267 0.000 1.025 868 V CA -0.884 61.117 62.300 -0.499 0.000 0.859 868 V CB 1.859 33.114 31.823 -0.947 0.000 0.988 868 V HN 0.835 nan 8.190 nan 0.000 0.431 869 D N 3.335 123.733 120.400 -0.003 0.000 2.549 869 D HA 0.497 5.152 4.640 0.024 0.000 0.251 869 D C -1.138 175.285 176.300 0.205 0.000 1.153 869 D CA -0.105 53.988 54.000 0.156 0.000 0.861 869 D CB 2.748 43.658 40.800 0.184 0.000 1.207 869 D HN 0.274 nan 8.370 nan 0.000 0.543 870 V N 2.608 122.684 119.914 0.271 0.000 2.495 870 V HA 0.252 4.386 4.120 0.024 0.000 0.298 870 V C 0.093 176.348 176.094 0.268 0.000 1.031 870 V CA -0.696 61.786 62.300 0.304 0.000 0.871 870 V CB 2.329 34.384 31.823 0.386 0.000 0.988 870 V HN 0.363 nan 8.190 nan 0.000 0.432 871 E N 2.753 123.089 120.200 0.228 0.000 2.204 871 E HA 0.638 5.003 4.350 0.024 0.000 0.276 871 E C -1.377 175.339 176.600 0.193 0.000 0.974 871 E CA -0.589 55.923 56.400 0.186 0.000 0.815 871 E CB 2.435 32.221 29.700 0.144 0.000 1.119 871 E HN 0.415 nan 8.360 nan 0.000 0.393 872 V N 2.113 122.145 119.914 0.197 0.000 2.483 872 V HA 0.348 4.483 4.120 0.024 0.000 0.297 872 V C -0.048 176.128 176.094 0.137 0.000 1.027 872 V CA -0.988 61.437 62.300 0.209 0.000 0.855 872 V CB 1.500 33.500 31.823 0.294 0.000 0.995 872 V HN 0.840 nan 8.190 nan 0.000 0.424 873 A N 3.557 126.406 122.820 0.049 0.000 2.566 873 A HA 0.263 4.597 4.320 0.024 0.000 0.245 873 A C 1.639 179.279 177.584 0.095 0.000 1.056 873 A CA 0.647 52.705 52.037 0.035 0.000 0.757 873 A CB 0.191 19.168 19.000 -0.039 0.000 0.979 873 A HN 1.359 nan 8.150 nan 0.000 0.508 874 S N 1.634 117.392 115.700 0.097 0.000 2.399 874 S HA -0.167 4.318 4.470 0.024 0.000 0.231 874 S C 0.931 175.602 174.600 0.119 0.000 1.022 874 S CA 1.306 59.582 58.200 0.128 0.000 0.983 874 S CB -0.281 62.975 63.200 0.093 0.000 0.803 874 S HN 0.834 nan 8.310 nan 0.000 0.480 875 D N 0.547 120.990 120.400 0.072 0.000 2.370 875 D HA 0.145 4.799 4.640 0.024 0.000 0.230 875 D C 0.140 176.466 176.300 0.042 0.000 1.143 875 D CA -0.055 53.972 54.000 0.045 0.000 0.834 875 D CB -0.237 40.580 40.800 0.028 0.000 0.944 875 D HN 0.271 nan 8.370 nan 0.000 0.504 876 T N 1.654 116.256 114.554 0.079 0.000 2.859 876 T HA 0.387 4.751 4.350 0.024 0.000 0.281 876 T C -2.632 172.162 174.700 0.157 0.000 1.005 876 T CA -1.935 60.237 62.100 0.121 0.000 1.025 876 T CB 1.471 70.406 68.868 0.111 0.000 0.977 876 T HN -0.099 nan 8.240 nan 0.000 0.458 877 P HA 0.047 nan 4.420 nan 0.000 0.264 877 P C -0.473 177.109 177.300 0.469 0.000 1.183 877 P CA -0.104 63.073 63.100 0.129 0.000 0.763 877 P CB 0.182 31.923 31.700 0.069 0.000 0.807 878 H N 3.633 123.057 119.070 0.590 0.000 3.070 878 H HA 0.063 4.633 4.556 0.024 0.000 0.313 878 H C -1.682 173.991 175.328 0.575 0.000 0.997 878 H CA -1.602 54.752 56.048 0.510 0.000 1.438 878 H CB -0.854 29.156 29.762 0.414 0.000 1.455 878 H HN 0.360 nan 8.280 nan 0.000 0.575 879 P HA 0.018 nan 4.420 nan 0.000 0.269 879 P C 0.414 177.626 177.300 -0.146 0.000 1.215 879 P CA -0.160 63.020 63.100 0.132 0.000 0.780 879 P CB 0.798 32.425 31.700 -0.122 0.000 0.898 880 A N 3.551 126.016 122.820 -0.592 0.000 1.930 880 A HA -0.098 4.236 4.320 0.024 0.000 0.217 880 A C 1.135 178.329 177.584 -0.651 0.000 1.175 880 A CA 1.337 52.970 52.037 -0.674 0.000 0.627 880 A CB -0.472 17.876 19.000 -1.087 0.000 0.815 880 A HN 0.758 nan 8.150 nan 0.000 0.443 881 R N -2.563 117.587 120.500 -0.583 0.000 2.716 881 R HA 0.743 5.098 4.340 0.024 0.000 0.271 881 R C -1.786 174.263 176.300 -0.418 0.000 1.028 881 R CA -0.785 54.998 56.100 -0.528 0.000 0.883 881 R CB 0.876 30.843 30.300 -0.556 0.000 1.250 881 R HN 0.011 nan 8.270 nan 0.000 0.465 882 I N 1.397 121.754 120.570 -0.354 0.000 2.476 882 I HA 0.635 4.819 4.170 0.024 0.000 0.281 882 I C -0.400 175.456 176.117 -0.434 0.000 1.040 882 I CA -0.379 60.712 61.300 -0.348 0.000 1.094 882 I CB 1.910 39.818 38.000 -0.154 0.000 1.219 882 I HN 0.989 nan 8.210 nan 0.000 0.450 883 G N 5.797 114.294 108.800 -0.505 0.000 2.650 883 G HA2 0.719 4.693 3.960 0.024 0.000 0.310 883 G HA3 0.719 4.693 3.960 0.024 0.000 0.310 883 G C -1.754 172.987 174.900 -0.266 0.000 1.270 883 G CA -0.622 44.227 45.100 -0.418 0.000 0.810 883 G HN 0.273 nan 8.290 nan 0.000 0.493 884 L N 1.231 122.355 121.223 -0.165 0.000 2.341 884 L HA 0.610 4.964 4.340 0.024 0.000 0.267 884 L C -0.586 176.194 176.870 -0.149 0.000 1.009 884 L CA -1.106 53.671 54.840 -0.105 0.000 0.819 884 L CB 2.315 44.386 42.059 0.021 0.000 1.323 884 L HN 0.777 nan 8.230 nan 0.000 0.425 885 N N 1.116 119.757 118.700 -0.099 0.000 2.284 885 N HA 0.696 5.450 4.740 0.024 0.000 0.289 885 N C -1.265 174.250 175.510 0.008 0.000 1.179 885 N CA -0.555 52.465 53.050 -0.051 0.000 0.774 885 N CB 2.495 40.979 38.487 -0.005 0.000 1.548 885 N HN 0.810 nan 8.380 nan 0.000 0.473 886 C N -0.819 118.486 119.300 0.007 0.000 3.285 886 C HA 0.541 5.016 4.460 0.024 0.000 0.325 886 C C -1.063 173.740 174.990 -0.311 0.000 1.304 886 C CA -0.810 58.162 59.018 -0.077 0.000 1.319 886 C CB 1.142 28.871 27.740 -0.019 0.000 1.640 886 C HN 0.857 nan 8.230 nan 0.000 0.477 887 Q N 1.683 121.096 119.800 -0.646 0.000 2.372 887 Q HA 0.642 4.997 4.340 0.024 0.000 0.259 887 Q C -0.959 174.736 176.000 -0.508 0.000 0.993 887 Q CA -0.422 54.761 55.803 -1.033 0.000 0.854 887 Q CB 0.853 28.583 28.738 -1.679 0.000 1.231 887 Q HN 0.785 nan 8.270 nan 0.000 0.462 888 L N 2.363 123.381 121.223 -0.341 0.000 2.436 888 L HA 0.276 4.630 4.340 0.024 0.000 0.265 888 L C 1.181 177.966 176.870 -0.141 0.000 1.168 888 L CA -0.173 54.581 54.840 -0.143 0.000 0.815 888 L CB 0.725 42.785 42.059 0.003 0.000 1.109 888 L HN 0.794 nan 8.230 nan 0.000 0.462 889 A N 1.410 124.182 122.820 -0.080 0.000 2.016 889 A HA -0.072 4.262 4.320 0.024 0.000 0.217 889 A C 1.121 178.699 177.584 -0.011 0.000 1.162 889 A CA 0.409 52.405 52.037 -0.068 0.000 0.662 889 A CB -0.247 18.710 19.000 -0.071 0.000 0.812 889 A HN 0.766 nan 8.150 nan 0.000 0.450 890 Q N -0.038 119.797 119.800 0.059 0.000 2.361 890 Q HA 0.332 4.687 4.340 0.024 0.000 0.276 890 Q C -0.989 175.077 176.000 0.110 0.000 1.022 890 Q CA 0.674 56.529 55.803 0.087 0.000 0.898 890 Q CB 0.662 29.502 28.738 0.170 0.000 1.246 890 Q HN 0.148 nan 8.270 nan 0.000 0.410 891 V N 3.855 123.796 119.914 0.044 0.000 2.380 891 V HA 0.633 4.767 4.120 0.024 0.000 0.272 891 V C -0.388 175.687 176.094 -0.031 0.000 1.011 891 V CA -0.380 61.964 62.300 0.073 0.000 0.826 891 V CB 0.658 32.502 31.823 0.036 0.000 1.040 891 V HN 0.891 nan 8.190 nan 0.000 0.441 892 A N 2.800 125.501 122.820 -0.199 0.000 2.264 892 A HA 0.653 4.987 4.320 0.024 0.000 0.304 892 A C 0.860 178.412 177.584 -0.053 0.000 1.100 892 A CA -0.334 51.514 52.037 -0.315 0.000 0.839 892 A CB 0.741 19.266 19.000 -0.791 0.000 1.121 892 A HN 0.772 nan 8.150 nan 0.000 0.496 893 E N -0.175 120.005 120.200 -0.034 0.000 2.250 893 E HA 0.009 4.373 4.350 0.024 0.000 0.192 893 E C 0.013 176.667 176.600 0.091 0.000 0.986 893 E CA 0.514 56.937 56.400 0.037 0.000 0.849 893 E CB 0.219 29.927 29.700 0.014 0.000 0.797 893 E HN 0.408 nan 8.360 nan 0.000 0.482 894 R N 0.405 120.965 120.500 0.100 0.000 2.807 894 R HA 0.499 4.853 4.340 0.024 0.000 0.276 894 R C -0.928 175.537 176.300 0.274 0.000 0.979 894 R CA -0.847 55.348 56.100 0.159 0.000 0.928 894 R CB 2.042 32.406 30.300 0.107 0.000 1.191 894 R HN -0.180 nan 8.270 nan 0.000 0.471 895 V N 2.342 122.447 119.914 0.318 0.000 2.443 895 V HA 0.352 4.487 4.120 0.024 0.000 0.293 895 V C -0.227 176.138 176.094 0.452 0.000 1.021 895 V CA -0.922 61.619 62.300 0.402 0.000 0.848 895 V CB 1.774 33.797 31.823 0.333 0.000 0.998 895 V HN 0.615 nan 8.190 nan 0.000 0.424 896 N N 4.662 123.599 118.700 0.394 0.000 2.342 896 N HA 0.544 5.298 4.740 0.024 0.000 0.293 896 N C -1.314 174.437 175.510 0.401 0.000 1.026 896 N CA -0.404 52.844 53.050 0.329 0.000 0.857 896 N CB 2.601 41.180 38.487 0.153 0.000 1.256 896 N HN 0.809 nan 8.380 nan 0.000 0.484 897 W N 3.373 124.704 121.300 0.052 0.000 3.118 897 W HA 0.567 5.241 4.660 0.024 0.000 0.328 897 W C -2.148 174.326 176.519 -0.075 0.000 1.239 897 W CA -1.093 56.247 57.345 -0.008 0.000 1.176 897 W CB 0.647 30.102 29.460 -0.008 0.000 1.433 897 W HN 0.226 nan 8.180 nan 0.000 0.562 898 L N 4.294 125.456 121.223 -0.101 0.000 2.301 898 L HA 0.912 5.266 4.340 0.024 0.000 0.278 898 L C 0.020 176.632 176.870 -0.431 0.000 1.022 898 L CA 0.445 55.034 54.840 -0.418 0.000 0.854 898 L CB 0.663 42.559 42.059 -0.273 0.000 1.226 898 L HN 1.027 nan 8.230 nan 0.000 0.429 899 G N 3.621 112.017 108.800 -0.674 0.000 2.356 899 G HA2 0.194 4.168 3.960 0.024 0.000 0.281 899 G HA3 0.194 4.168 3.960 0.024 0.000 0.281 899 G C -1.590 173.255 174.900 -0.091 0.000 1.246 899 G CA -1.021 43.846 45.100 -0.389 0.000 0.889 899 G HN 0.428 nan 8.290 nan 0.000 0.486 900 L N 1.176 122.511 121.223 0.187 0.000 2.367 900 L HA 0.611 4.965 4.340 0.024 0.000 0.275 900 L C 1.089 178.088 176.870 0.214 0.000 1.129 900 L CA 0.798 55.748 54.840 0.184 0.000 0.839 900 L CB 0.599 42.724 42.059 0.110 0.000 1.133 900 L HN 1.190 nan 8.230 nan 0.000 0.453 901 G N 2.683 111.433 108.800 -0.083 0.000 2.428 901 G HA2 0.256 4.230 3.960 0.024 0.000 0.305 901 G HA3 0.256 4.230 3.960 0.024 0.000 0.305 901 G C -2.719 171.488 174.900 -1.156 0.000 1.260 901 G CA -0.249 44.484 45.100 -0.611 0.000 0.853 901 G HN 0.306 nan 8.290 nan 0.000 0.480 902 P HA 0.080 nan 4.420 nan 0.000 0.231 902 P C 0.466 177.571 177.300 -0.325 0.000 1.168 902 P CA 0.659 63.081 63.100 -1.130 0.000 0.779 902 P CB 0.454 31.589 31.700 -0.942 0.000 0.844 903 Q N 0.434 120.037 119.800 -0.328 0.000 2.318 903 Q HA 0.159 4.513 4.340 0.024 0.000 0.222 903 Q C 0.356 176.240 176.000 -0.194 0.000 1.003 903 Q CA -0.665 55.018 55.803 -0.200 0.000 0.936 903 Q CB 0.735 29.375 28.738 -0.164 0.000 1.204 903 Q HN 0.124 nan 8.270 nan 0.000 0.524 904 E N 1.462 121.550 120.200 -0.185 0.000 2.529 904 E HA -0.104 4.260 4.350 0.024 0.000 0.259 904 E C -1.159 175.358 176.600 -0.138 0.000 0.966 904 E CA 0.225 56.504 56.400 -0.203 0.000 0.937 904 E CB 0.215 29.845 29.700 -0.117 0.000 0.923 904 E HN 0.564 nan 8.360 nan 0.000 0.468 905 N N 2.957 121.510 118.700 -0.244 0.000 2.277 905 N HA 0.349 5.104 4.740 0.024 0.000 0.286 905 N C -1.833 173.481 175.510 -0.327 0.000 1.140 905 N CA -0.680 52.280 53.050 -0.150 0.000 0.799 905 N CB 0.840 39.256 38.487 -0.117 0.000 1.596 905 N HN 0.263 nan 8.380 nan 0.000 0.473 906 Y N -0.129 120.092 120.300 -0.133 0.000 2.602 906 Y HA 0.481 5.045 4.550 0.024 0.000 0.342 906 Y C -1.657 174.185 175.900 -0.097 0.000 1.029 906 Y CA -2.000 56.013 58.100 -0.145 0.000 1.080 906 Y CB 2.133 40.503 38.460 -0.150 0.000 1.284 906 Y HN 0.450 nan 8.280 nan 0.000 0.485 907 P HA -0.200 nan 4.420 nan 0.000 0.216 907 P C 0.413 177.629 177.300 -0.139 0.000 1.157 907 P CA 2.230 65.397 63.100 0.112 0.000 0.880 907 P CB 0.170 32.033 31.700 0.272 0.000 0.791 908 D N -2.173 117.903 120.400 -0.539 0.000 2.336 908 D HA 0.001 4.655 4.640 0.024 0.000 0.228 908 D C 0.576 176.727 176.300 -0.250 0.000 1.120 908 D CA 0.097 53.569 54.000 -0.880 0.000 0.839 908 D CB -0.342 39.729 40.800 -1.216 0.000 0.932 908 D HN 0.120 nan 8.370 nan 0.000 0.509 909 R N 0.919 121.377 120.500 -0.069 0.000 2.797 909 R HA 0.172 4.527 4.340 0.024 0.000 0.230 909 R C -0.844 175.497 176.300 0.068 0.000 1.591 909 R CA -0.185 55.939 56.100 0.041 0.000 1.501 909 R CB 0.056 30.384 30.300 0.046 0.000 1.524 909 R HN 0.114 nan 8.270 nan 0.000 0.711 910 L N -1.289 119.984 121.223 0.083 0.000 3.429 910 L HA 0.352 4.707 4.340 0.024 0.000 0.311 910 L C 1.161 178.099 176.870 0.113 0.000 1.274 910 L CA -0.029 54.859 54.840 0.079 0.000 1.037 910 L CB 0.290 42.389 42.059 0.067 0.000 1.433 910 L HN 0.120 nan 8.230 nan 0.000 0.614 911 T N -3.038 111.609 114.554 0.155 0.000 2.896 911 T HA 0.118 4.482 4.350 0.024 0.000 0.263 911 T C 1.844 176.579 174.700 0.057 0.000 1.050 911 T CA 1.125 63.344 62.100 0.199 0.000 1.140 911 T CB -0.242 68.814 68.868 0.314 0.000 0.877 911 T HN 0.340 nan 8.240 nan 0.000 0.457 912 A N 2.184 125.053 122.820 0.083 0.000 1.930 912 A HA 0.557 4.891 4.320 0.024 0.000 0.217 912 A C 1.749 179.419 177.584 0.142 0.000 1.175 912 A CA 0.803 52.874 52.037 0.056 0.000 0.627 912 A CB -1.231 17.933 19.000 0.275 0.000 0.815 912 A HN 0.870 nan 8.150 nan 0.000 0.443 913 A N -1.026 121.824 122.820 0.049 0.000 2.462 913 A HA 0.404 4.738 4.320 0.024 0.000 0.243 913 A C 0.062 177.675 177.584 0.047 0.000 1.076 913 A CA 0.012 52.039 52.037 -0.018 0.000 0.773 913 A CB -0.299 18.680 19.000 -0.035 0.000 1.010 913 A HN 0.524 nan 8.150 nan 0.000 0.493 914 C N 1.474 120.805 119.300 0.053 0.000 2.411 914 C HA 0.475 4.949 4.460 0.024 0.000 0.330 914 C C 0.136 175.236 174.990 0.183 0.000 1.224 914 C CA -0.491 58.616 59.018 0.149 0.000 1.770 914 C CB 0.320 28.168 27.740 0.181 0.000 2.297 914 C HN 0.795 nan 8.230 nan 0.000 0.507 915 F N 4.187 123.988 119.950 -0.249 0.000 2.502 915 F HA 0.385 4.927 4.527 0.024 0.000 0.371 915 F C 0.422 175.874 175.800 -0.581 0.000 1.083 915 F CA 1.375 59.042 58.000 -0.555 0.000 1.174 915 F CB -0.109 38.008 39.000 -1.470 0.000 1.096 915 F HN 0.621 nan 8.300 nan 0.000 0.545 916 D N 3.467 123.329 120.400 -0.897 0.000 2.792 916 D HA 0.170 4.824 4.640 0.024 0.000 0.335 916 D C -1.628 173.781 176.300 -1.485 0.000 1.353 916 D CA -0.770 52.569 54.000 -1.101 0.000 0.839 916 D CB 1.356 41.434 40.800 -1.203 0.000 1.396 916 D HN 0.448 nan 8.370 nan 0.000 0.479 917 R N 0.740 120.476 120.500 -1.274 0.000 2.234 917 R HA 0.502 4.856 4.340 0.024 0.000 0.324 917 R C -1.327 174.209 176.300 -1.273 0.000 1.054 917 R CA -0.043 55.435 56.100 -1.036 0.000 0.912 917 R CB 0.118 30.064 30.300 -0.591 0.000 1.030 917 R HN 0.293 nan 8.270 nan 0.000 0.455 918 W N 2.831 123.622 121.300 -0.849 0.000 2.689 918 W HA 0.410 5.084 4.660 0.024 0.000 0.340 918 W C -0.517 175.657 176.519 -0.574 0.000 1.060 918 W CA -0.767 56.043 57.345 -0.892 0.000 1.218 918 W CB 1.757 30.264 29.460 -1.588 0.000 1.410 918 W HN 0.377 nan 8.180 nan 0.000 0.528 919 D N 2.836 123.224 120.400 -0.019 0.000 2.686 919 D HA 0.524 5.179 4.640 0.024 0.000 0.249 919 D C -1.534 174.873 176.300 0.178 0.000 1.260 919 D CA -0.210 53.854 54.000 0.107 0.000 0.910 919 D CB 1.322 42.147 40.800 0.041 0.000 1.323 919 D HN 0.396 nan 8.370 nan 0.000 0.561 920 L N 3.654 125.047 121.223 0.283 0.000 2.393 920 L HA 0.524 4.878 4.340 0.024 0.000 0.260 920 L C -2.282 174.706 176.870 0.196 0.000 1.002 920 L CA -2.001 52.975 54.840 0.227 0.000 0.818 920 L CB 2.909 45.129 42.059 0.269 0.000 1.369 920 L HN 0.192 nan 8.230 nan 0.000 0.412 921 P HA -0.006 nan 4.420 nan 0.000 0.269 921 P C 0.586 177.964 177.300 0.129 0.000 1.209 921 P CA -0.360 62.813 63.100 0.120 0.000 0.776 921 P CB 1.084 32.834 31.700 0.083 0.000 0.876 922 L N 3.571 124.876 121.223 0.137 0.000 2.081 922 L HA -0.253 4.102 4.340 0.024 0.000 0.212 922 L C 2.441 179.363 176.870 0.087 0.000 1.080 922 L CA 2.754 57.669 54.840 0.125 0.000 0.754 922 L CB -1.553 40.592 42.059 0.142 0.000 0.893 922 L HN 0.494 nan 8.230 nan 0.000 0.433 923 S N -1.746 114.005 115.700 0.086 0.000 2.399 923 S HA -0.184 4.301 4.470 0.024 0.000 0.231 923 S C 1.642 176.315 174.600 0.121 0.000 1.022 923 S CA 1.167 59.435 58.200 0.113 0.000 0.983 923 S CB -0.784 62.473 63.200 0.095 0.000 0.803 923 S HN 0.517 nan 8.310 nan 0.000 0.480 924 D N 1.347 121.791 120.400 0.073 0.000 2.310 924 D HA 0.053 4.707 4.640 0.024 0.000 0.212 924 D C 1.457 177.752 176.300 -0.007 0.000 0.965 924 D CA 0.747 54.765 54.000 0.030 0.000 0.879 924 D CB -0.224 40.602 40.800 0.043 0.000 0.921 924 D HN 0.379 nan 8.370 nan 0.000 0.510 925 M N -0.522 119.085 119.600 0.012 0.000 2.618 925 M HA 0.044 4.538 4.480 0.024 0.000 0.240 925 M C 0.079 176.367 176.300 -0.018 0.000 1.123 925 M CA 0.071 55.329 55.300 -0.069 0.000 1.060 925 M CB -0.851 31.706 32.600 -0.073 0.000 1.535 925 M HN -0.021 nan 8.290 nan 0.000 0.507 926 Y N 0.074 120.326 120.300 -0.080 0.000 2.393 926 Y HA 0.476 5.040 4.550 0.024 0.000 0.341 926 Y C -0.685 175.150 175.900 -0.108 0.000 0.988 926 Y CA -0.892 57.176 58.100 -0.053 0.000 1.078 926 Y CB 1.284 39.781 38.460 0.062 0.000 1.203 926 Y HN -0.135 nan 8.280 nan 0.000 0.453 927 T N 8.753 122.791 114.554 -0.860 0.000 2.756 927 T HA 0.284 4.648 4.350 0.024 0.000 0.290 927 T C -2.738 171.139 174.700 -1.372 0.000 0.985 927 T CA -1.528 59.992 62.100 -0.967 0.000 0.955 927 T CB 1.052 69.434 68.868 -0.811 0.000 0.930 927 T HN 0.449 nan 8.240 nan 0.000 0.451 928 P HA 0.133 nan 4.420 nan 0.000 0.230 928 P C -0.799 176.314 177.300 -0.310 0.000 1.791 928 P CA -0.507 62.172 63.100 -0.701 0.000 1.020 928 P CB -0.606 30.836 31.700 -0.430 0.000 1.977 929 Y N 0.255 120.482 120.300 -0.122 0.000 2.544 929 Y HA -0.076 4.488 4.550 0.024 0.000 0.330 929 Y C 2.209 178.160 175.900 0.085 0.000 1.136 929 Y CA -0.081 58.042 58.100 0.038 0.000 1.417 929 Y CB 0.100 38.536 38.460 -0.040 0.000 1.229 929 Y HN -0.029 nan 8.280 nan 0.000 0.532 930 V N 3.494 123.628 119.914 0.366 0.000 2.282 930 V HA -0.320 3.814 4.120 0.024 0.000 0.249 930 V C 0.815 177.076 176.094 0.280 0.000 1.057 930 V CA 1.493 63.983 62.300 0.317 0.000 1.032 930 V CB -0.646 31.408 31.823 0.385 0.000 0.645 930 V HN 0.621 nan 8.190 nan 0.000 0.447 931 F N 3.257 123.248 119.950 0.068 0.000 2.375 931 F HA 0.444 4.985 4.527 0.024 0.000 0.362 931 F C -2.303 173.498 175.800 0.002 0.000 1.129 931 F CA -3.372 54.608 58.000 -0.033 0.000 1.154 931 F CB 0.472 39.342 39.000 -0.217 0.000 1.205 931 F HN 0.033 nan 8.300 nan 0.000 0.513 932 P HA 0.220 nan 4.420 nan 0.000 0.268 932 P C -0.948 176.126 177.300 -0.377 0.000 1.205 932 P CA 0.095 63.026 63.100 -0.282 0.000 0.771 932 P CB 1.217 32.735 31.700 -0.303 0.000 0.858 933 S N 0.110 115.738 115.700 -0.119 0.000 2.757 933 S HA 0.464 4.948 4.470 0.024 0.000 0.285 933 S C -0.759 173.843 174.600 0.004 0.000 1.196 933 S CA -0.883 57.270 58.200 -0.077 0.000 0.856 933 S CB 0.353 63.530 63.200 -0.039 0.000 1.212 933 S HN 0.297 nan 8.310 nan 0.000 0.516 934 E N 1.341 121.553 120.200 0.019 0.000 2.465 934 E HA 0.381 4.746 4.350 0.024 0.000 0.260 934 E C -0.230 176.436 176.600 0.111 0.000 0.980 934 E CA 0.816 57.255 56.400 0.064 0.000 0.927 934 E CB -0.418 29.342 29.700 0.100 0.000 0.934 934 E HN 0.777 nan 8.360 nan 0.000 0.459 935 N N 1.549 120.340 118.700 0.152 0.000 3.046 935 N HA 0.499 5.254 4.740 0.024 0.000 0.243 935 N C 0.101 175.644 175.510 0.055 0.000 1.452 935 N CA -0.581 52.586 53.050 0.195 0.000 0.882 935 N CB 0.885 39.483 38.487 0.184 0.000 1.425 935 N HN 0.639 nan 8.380 nan 0.000 0.517 936 G N -1.184 107.600 108.800 -0.028 0.000 2.159 936 G HA2 -0.252 3.723 3.960 0.024 0.000 0.256 936 G HA3 -0.252 3.723 3.960 0.024 0.000 0.256 936 G C -0.363 174.262 174.900 -0.458 0.000 0.977 936 G CA 0.368 45.340 45.100 -0.212 0.000 0.652 936 G HN 0.642 nan 8.290 nan 0.000 0.531 937 L N 0.049 120.931 121.223 -0.569 0.000 2.439 937 L HA 0.765 5.119 4.340 0.024 0.000 0.269 937 L C 0.657 176.939 176.870 -0.980 0.000 1.179 937 L CA 0.080 54.358 54.840 -0.937 0.000 0.828 937 L CB 0.682 41.938 42.059 -1.339 0.000 1.106 937 L HN 0.245 nan 8.230 nan 0.000 0.467 938 R N 2.109 121.949 120.500 -1.101 0.000 2.628 938 R HA 0.558 4.912 4.340 0.024 0.000 0.288 938 R C -1.182 174.803 176.300 -0.525 0.000 0.980 938 R CA -0.301 55.312 56.100 -0.811 0.000 0.891 938 R CB 1.573 31.279 30.300 -0.990 0.000 1.188 938 R HN 0.654 nan 8.270 nan 0.000 0.450 939 C N 0.155 119.287 119.300 -0.279 0.000 2.423 939 C HA 0.740 5.214 4.460 0.024 0.000 0.378 939 C C 1.356 176.334 174.990 -0.021 0.000 1.244 939 C CA -0.001 58.930 59.018 -0.146 0.000 1.978 939 C CB 1.350 29.027 27.740 -0.104 0.000 2.252 939 C HN 1.033 nan 8.230 nan 0.000 0.526 940 G N 1.554 110.353 108.800 -0.001 0.000 2.258 940 G HA2 -0.203 3.772 3.960 0.024 0.000 0.274 940 G HA3 -0.203 3.772 3.960 0.024 0.000 0.274 940 G C 0.008 174.950 174.900 0.069 0.000 1.021 940 G CA 0.645 45.793 45.100 0.080 0.000 0.798 940 G HN 0.816 nan 8.290 nan 0.000 0.507 941 T N 0.328 114.792 114.554 -0.149 0.000 2.794 941 T HA 0.461 4.826 4.350 0.024 0.000 0.296 941 T C 1.434 175.779 174.700 -0.591 0.000 0.949 941 T CA -0.398 61.531 62.100 -0.284 0.000 1.101 941 T CB 1.222 69.918 68.868 -0.287 0.000 0.905 941 T HN 0.240 nan 8.240 nan 0.000 0.516 942 R N 1.709 122.094 120.500 -0.192 0.000 2.254 942 R HA 0.282 4.636 4.340 0.024 0.000 0.193 942 R C 0.597 176.950 176.300 0.087 0.000 0.929 942 R CA 0.229 56.316 56.100 -0.022 0.000 1.038 942 R CB 0.345 30.758 30.300 0.188 0.000 1.009 942 R HN 0.684 nan 8.270 nan 0.000 0.512 943 E N 0.558 120.801 120.200 0.072 0.000 2.335 943 E HA 0.342 4.706 4.350 0.024 0.000 0.280 943 E C -1.838 174.899 176.600 0.228 0.000 0.918 943 E CA -0.683 55.842 56.400 0.209 0.000 0.765 943 E CB 1.576 31.356 29.700 0.134 0.000 1.218 943 E HN -0.091 nan 8.360 nan 0.000 0.425 944 L N 3.941 125.359 121.223 0.326 0.000 2.410 944 L HA 0.595 4.949 4.340 0.024 0.000 0.270 944 L C -1.848 175.197 176.870 0.292 0.000 0.983 944 L CA -0.452 54.524 54.840 0.226 0.000 0.822 944 L CB 1.811 43.896 42.059 0.043 0.000 1.285 944 L HN 0.454 nan 8.230 nan 0.000 0.409 945 N N 4.398 123.249 118.700 0.252 0.000 2.354 945 N HA 0.409 5.163 4.740 0.024 0.000 0.287 945 N C -1.939 173.787 175.510 0.360 0.000 1.016 945 N CA -0.210 52.976 53.050 0.227 0.000 0.871 945 N CB 2.005 40.576 38.487 0.140 0.000 1.299 945 N HN 0.602 nan 8.380 nan 0.000 0.482 946 Y N 1.106 121.520 120.300 0.190 0.000 2.307 946 Y HA 0.406 4.970 4.550 0.024 0.000 0.323 946 Y C 0.759 176.772 175.900 0.189 0.000 1.100 946 Y CA 0.140 58.374 58.100 0.223 0.000 1.140 946 Y CB 0.636 39.304 38.460 0.347 0.000 1.159 946 Y HN 0.836 nan 8.280 nan 0.000 0.436 947 G N 6.334 114.975 108.800 -0.265 0.000 2.629 947 G HA2 -0.325 3.649 3.960 0.024 0.000 0.313 947 G HA3 -0.325 3.649 3.960 0.024 0.000 0.313 947 G C -1.508 173.309 174.900 -0.138 0.000 1.217 947 G CA 0.283 45.252 45.100 -0.219 0.000 0.994 947 G HN 0.580 nan 8.290 nan 0.000 0.549 948 P HA 0.135 nan 4.420 nan 0.000 0.240 948 P C 0.304 177.419 177.300 -0.309 0.000 1.190 948 P CA 0.782 63.713 63.100 -0.282 0.000 0.781 948 P CB -0.017 31.457 31.700 -0.377 0.000 0.931 949 H N 0.572 119.575 119.070 -0.112 0.000 2.582 949 H HA 0.375 4.945 4.556 0.024 0.000 0.345 949 H C 0.030 175.038 175.328 -0.532 0.000 1.104 949 H CA 0.179 56.034 56.048 -0.322 0.000 1.390 949 H CB 1.369 30.803 29.762 -0.548 0.000 1.461 949 H HN 0.131 nan 8.280 nan 0.000 0.551 950 Q N 2.873 122.382 119.800 -0.485 0.000 2.323 950 Q HA 0.217 4.571 4.340 0.024 0.000 0.271 950 Q C -1.464 174.218 176.000 -0.529 0.000 1.048 950 Q CA -0.745 54.839 55.803 -0.364 0.000 0.792 950 Q CB 1.974 30.663 28.738 -0.082 0.000 1.280 950 Q HN 0.581 nan 8.270 nan 0.000 0.441 951 W N 3.786 125.036 121.300 -0.082 0.000 2.587 951 W HA 0.566 5.241 4.660 0.024 0.000 0.324 951 W C -0.120 176.450 176.519 0.086 0.000 1.040 951 W CA -0.659 56.592 57.345 -0.158 0.000 1.222 951 W CB 1.789 30.946 29.460 -0.505 0.000 1.381 951 W HN 0.493 nan 8.180 nan 0.000 0.483 952 R N 0.652 121.349 120.500 0.329 0.000 2.750 952 R HA 0.749 5.103 4.340 0.024 0.000 0.281 952 R C 0.210 176.759 176.300 0.415 0.000 0.972 952 R CA -0.367 55.962 56.100 0.383 0.000 0.912 952 R CB 2.423 32.866 30.300 0.238 0.000 1.187 952 R HN 0.767 nan 8.270 nan 0.000 0.464 953 G N 0.914 109.984 108.800 0.450 0.000 2.553 953 G HA2 -0.053 3.921 3.960 0.024 0.000 0.106 953 G HA3 -0.053 3.921 3.960 0.024 0.000 0.106 953 G C -1.732 173.342 174.900 0.290 0.000 1.126 953 G CA -0.385 44.944 45.100 0.381 0.000 1.075 953 G HN 0.501 nan 8.290 nan 0.000 0.472 954 D N 0.198 120.774 120.400 0.292 0.000 2.472 954 D HA 0.593 5.247 4.640 0.024 0.000 0.248 954 D C -0.596 175.744 176.300 0.067 0.000 1.271 954 D CA -0.469 53.588 54.000 0.095 0.000 0.888 954 D CB 0.061 40.924 40.800 0.106 0.000 1.337 954 D HN 0.557 nan 8.370 nan 0.000 0.526 955 F N -0.300 119.647 119.950 -0.004 0.000 2.691 955 F HA 0.752 5.294 4.527 0.024 0.000 0.334 955 F C -0.998 174.765 175.800 -0.061 0.000 1.107 955 F CA -1.018 56.922 58.000 -0.101 0.000 0.991 955 F CB 0.904 39.842 39.000 -0.103 0.000 1.400 955 F HN -0.167 nan 8.300 nan 0.000 0.503 956 Q N 1.706 121.588 119.800 0.137 0.000 2.345 956 Q HA 0.586 4.941 4.340 0.024 0.000 0.268 956 Q C -1.417 174.664 176.000 0.135 0.000 1.054 956 Q CA -0.522 55.286 55.803 0.009 0.000 0.835 956 Q CB 2.705 31.349 28.738 -0.158 0.000 1.339 956 Q HN 0.846 nan 8.270 nan 0.000 0.447 957 F N -0.580 119.257 119.950 -0.188 0.000 2.619 957 F HA 0.732 5.273 4.527 0.024 0.000 0.308 957 F C -1.403 174.184 175.800 -0.356 0.000 1.097 957 F CA -1.039 56.817 58.000 -0.240 0.000 0.953 957 F CB 1.546 40.451 39.000 -0.159 0.000 1.287 957 F HN 0.549 nan 8.300 nan 0.000 0.446 958 N N 2.620 121.135 118.700 -0.307 0.000 2.312 958 N HA 0.758 5.513 4.740 0.024 0.000 0.296 958 N C -1.971 173.467 175.510 -0.121 0.000 1.193 958 N CA -0.861 51.989 53.050 -0.335 0.000 0.773 958 N CB 2.620 40.934 38.487 -0.288 0.000 1.435 958 N HN 1.088 nan 8.380 nan 0.000 0.484 959 I N 0.218 120.712 120.570 -0.127 0.000 2.611 959 I HA 0.597 4.781 4.170 0.024 0.000 0.287 959 I C -1.487 174.554 176.117 -0.127 0.000 1.184 959 I CA 0.116 61.322 61.300 -0.157 0.000 1.054 959 I CB 1.033 38.891 38.000 -0.236 0.000 1.257 959 I HN 1.005 nan 8.210 nan 0.000 0.435 960 S N 6.076 121.717 115.700 -0.098 0.000 2.611 960 S HA 0.549 5.033 4.470 0.024 0.000 0.268 960 S C -0.053 174.463 174.600 -0.140 0.000 1.156 960 S CA -1.015 57.129 58.200 -0.094 0.000 0.817 960 S CB 1.870 65.084 63.200 0.024 0.000 1.122 960 S HN 0.600 nan 8.310 nan 0.000 0.466 961 R N -0.190 120.071 120.500 -0.399 0.000 2.320 961 R HA 0.216 4.571 4.340 0.024 0.000 0.211 961 R C -0.907 175.095 176.300 -0.497 0.000 0.931 961 R CA 0.352 56.185 56.100 -0.445 0.000 1.071 961 R CB -0.926 29.016 30.300 -0.597 0.000 1.025 961 R HN 0.641 nan 8.270 nan 0.000 0.495 962 Y N -0.010 120.250 120.300 -0.068 0.000 2.364 962 Y HA 0.237 4.802 4.550 0.024 0.000 0.340 962 Y C 0.764 176.461 175.900 -0.338 0.000 0.975 962 Y CA -1.393 56.586 58.100 -0.202 0.000 1.089 962 Y CB 1.350 39.643 38.460 -0.279 0.000 1.192 962 Y HN -0.108 nan 8.280 nan 0.000 0.454 963 S N 1.723 117.108 115.700 -0.525 0.000 2.614 963 S HA 0.091 4.575 4.470 0.024 0.000 0.265 963 S C 0.885 175.149 174.600 -0.560 0.000 1.303 963 S CA -0.694 56.835 58.200 -1.118 0.000 1.000 963 S CB 1.116 63.427 63.200 -1.481 0.000 0.935 963 S HN 0.708 nan 8.310 nan 0.000 0.551 964 Q N 0.563 120.043 119.800 -0.534 0.000 2.170 964 Q HA -0.174 4.180 4.340 0.024 0.000 0.203 964 Q C 2.105 177.964 176.000 -0.235 0.000 0.976 964 Q CA 1.629 57.261 55.803 -0.285 0.000 0.858 964 Q CB -0.453 28.151 28.738 -0.223 0.000 0.907 964 Q HN 0.923 nan 8.270 nan 0.000 0.433 965 Q N 0.317 119.935 119.800 -0.303 0.000 2.083 965 Q HA -0.150 4.204 4.340 0.024 0.000 0.198 965 Q C 2.083 177.976 176.000 -0.178 0.000 0.969 965 Q CA 0.959 56.645 55.803 -0.196 0.000 0.838 965 Q CB 0.134 28.764 28.738 -0.181 0.000 0.900 965 Q HN 0.377 nan 8.270 nan 0.000 0.436 966 Q N 0.075 119.740 119.800 -0.225 0.000 2.119 966 Q HA -0.141 4.213 4.340 0.024 0.000 0.201 966 Q C 2.186 178.061 176.000 -0.208 0.000 0.972 966 Q CA 0.937 56.623 55.803 -0.196 0.000 0.847 966 Q CB 0.033 28.632 28.738 -0.232 0.000 0.903 966 Q HN 0.426 nan 8.270 nan 0.000 0.433 967 L N 0.470 121.563 121.223 -0.216 0.000 2.046 967 L HA -0.200 4.154 4.340 0.024 0.000 0.208 967 L C 2.653 179.385 176.870 -0.229 0.000 1.077 967 L CA 1.372 56.079 54.840 -0.222 0.000 0.747 967 L CB -0.440 41.519 42.059 -0.166 0.000 0.896 967 L HN 0.415 nan 8.230 nan 0.000 0.432 968 M N -1.733 117.764 119.600 -0.171 0.000 2.562 968 M HA -0.070 4.425 4.480 0.024 0.000 0.257 968 M C 1.273 177.491 176.300 -0.136 0.000 1.099 968 M CA 1.579 56.791 55.300 -0.146 0.000 1.099 968 M CB -0.201 32.338 32.600 -0.102 0.000 1.427 968 M HN 0.116 nan 8.290 nan 0.000 0.489 969 E N 0.585 120.704 120.200 -0.135 0.000 2.489 969 E HA 0.141 4.505 4.350 0.024 0.000 0.204 969 E C -0.366 176.176 176.600 -0.097 0.000 1.006 969 E CA 0.049 56.394 56.400 -0.093 0.000 0.936 969 E CB 0.822 30.480 29.700 -0.070 0.000 1.002 969 E HN 0.380 nan 8.360 nan 0.000 0.488 970 T N 0.299 114.756 114.554 -0.161 0.000 2.795 970 T HA 0.111 4.476 4.350 0.024 0.000 0.282 970 T C 1.074 175.650 174.700 -0.205 0.000 0.980 970 T CA -0.395 61.608 62.100 -0.163 0.000 1.012 970 T CB 1.672 70.416 68.868 -0.206 0.000 0.936 970 T HN 0.030 nan 8.240 nan 0.000 0.457 971 S N 1.882 117.560 115.700 -0.037 0.000 2.470 971 S HA 0.095 4.580 4.470 0.024 0.000 0.222 971 S C 0.283 174.932 174.600 0.080 0.000 1.024 971 S CA 0.197 58.461 58.200 0.107 0.000 0.931 971 S CB -0.186 63.241 63.200 0.379 0.000 0.791 971 S HN 0.728 nan 8.310 nan 0.000 0.513 972 H N 0.788 119.847 119.070 -0.019 0.000 2.637 972 H HA 0.534 5.105 4.556 0.024 0.000 0.363 972 H C 1.048 176.329 175.328 -0.077 0.000 1.131 972 H CA -0.773 55.309 56.048 0.056 0.000 1.183 972 H CB 1.504 31.287 29.762 0.035 0.000 1.637 972 H HN 0.154 nan 8.280 nan 0.000 0.531 973 R N 1.794 122.379 120.500 0.142 0.000 2.105 973 R HA -0.180 4.174 4.340 0.024 0.000 0.239 973 R C 1.259 177.556 176.300 -0.006 0.000 1.135 973 R CA 1.962 58.086 56.100 0.040 0.000 0.967 973 R CB -0.475 29.887 30.300 0.102 0.000 0.861 973 R HN 0.799 nan 8.270 nan 0.000 0.442 974 H N 0.956 120.022 119.070 -0.007 0.000 2.546 974 H HA 0.050 4.620 4.556 0.024 0.000 0.277 974 H C 1.409 176.657 175.328 -0.134 0.000 1.004 974 H CA 0.674 56.684 56.048 -0.062 0.000 1.231 974 H CB -0.065 29.661 29.762 -0.060 0.000 1.382 974 H HN 0.308 nan 8.280 nan 0.000 0.580 975 L N 1.097 121.901 121.223 -0.699 0.000 2.611 975 L HA 0.214 4.569 4.340 0.024 0.000 0.229 975 L C 0.355 177.076 176.870 -0.248 0.000 1.137 975 L CA -0.123 54.389 54.840 -0.546 0.000 0.901 975 L CB 0.134 41.848 42.059 -0.575 0.000 1.098 975 L HN 0.072 nan 8.230 nan 0.000 0.456 976 L N 1.204 122.288 121.223 -0.231 0.000 2.331 976 L HA 0.191 4.545 4.340 0.024 0.000 0.278 976 L C 0.229 177.085 176.870 -0.024 0.000 1.106 976 L CA -0.321 54.378 54.840 -0.235 0.000 0.824 976 L CB 0.498 42.227 42.059 -0.550 0.000 1.142 976 L HN 0.173 nan 8.230 nan 0.000 0.443 977 H N 2.439 121.534 119.070 0.043 0.000 2.469 977 H HA 0.586 5.157 4.556 0.024 0.000 0.342 977 H C -0.571 174.853 175.328 0.161 0.000 1.115 977 H CA -1.218 54.880 56.048 0.085 0.000 1.204 977 H CB 1.374 31.146 29.762 0.018 0.000 1.492 977 H HN 0.651 nan 8.280 nan 0.000 0.499 978 A N 3.953 126.839 122.820 0.111 0.000 2.492 978 A HA 0.088 4.423 4.320 0.024 0.000 0.254 978 A C 0.373 177.963 177.584 0.011 0.000 1.091 978 A CA -0.296 51.663 52.037 -0.129 0.000 0.768 978 A CB -0.222 18.683 19.000 -0.159 0.000 1.028 978 A HN 0.857 nan 8.150 nan 0.000 0.498 979 E N 1.337 121.520 120.200 -0.028 0.000 2.345 979 E HA 0.145 4.509 4.350 0.024 0.000 0.259 979 E C -0.022 176.609 176.600 0.052 0.000 1.117 979 E CA -0.546 55.921 56.400 0.111 0.000 0.913 979 E CB 0.771 30.607 29.700 0.226 0.000 1.057 979 E HN 0.761 nan 8.360 nan 0.000 0.432 980 E N 0.711 120.945 120.200 0.058 0.000 2.376 980 E HA 0.165 4.530 4.350 0.024 0.000 0.266 980 E C 0.333 176.894 176.600 -0.066 0.000 1.009 980 E CA 0.619 57.017 56.400 -0.003 0.000 0.902 980 E CB 0.380 30.078 29.700 -0.002 0.000 0.972 980 E HN 0.693 nan 8.360 nan 0.000 0.439 981 G N 3.369 112.128 108.800 -0.069 0.000 2.553 981 G HA2 -0.228 3.746 3.960 0.024 0.000 0.242 981 G HA3 -0.228 3.746 3.960 0.024 0.000 0.242 981 G C -0.573 174.261 174.900 -0.111 0.000 1.277 981 G CA -0.137 44.904 45.100 -0.099 0.000 0.910 981 G HN 0.598 nan 8.290 nan 0.000 0.576 982 T N 0.029 114.483 114.554 -0.167 0.000 2.881 982 T HA 0.523 4.888 4.350 0.024 0.000 0.290 982 T C -1.009 173.519 174.700 -0.287 0.000 1.000 982 T CA -0.166 61.846 62.100 -0.147 0.000 0.978 982 T CB 1.582 70.433 68.868 -0.029 0.000 0.997 982 T HN 0.575 nan 8.240 nan 0.000 0.443 983 W N 3.017 124.215 121.300 -0.170 0.000 2.338 983 W HA 0.638 5.312 4.660 0.024 0.000 0.307 983 W C -0.405 175.973 176.519 -0.235 0.000 1.167 983 W CA -0.691 56.551 57.345 -0.172 0.000 1.208 983 W CB 0.878 30.254 29.460 -0.141 0.000 1.228 983 W HN 0.376 nan 8.180 nan 0.000 0.499 984 L N 5.676 126.877 121.223 -0.037 0.000 2.333 984 L HA 0.518 4.872 4.340 0.024 0.000 0.280 984 L C -0.964 175.798 176.870 -0.179 0.000 1.004 984 L CA -0.384 54.315 54.840 -0.236 0.000 0.820 984 L CB 0.814 42.572 42.059 -0.502 0.000 1.247 984 L HN 0.309 nan 8.230 nan 0.000 0.416 985 N N 6.936 125.522 118.700 -0.191 0.000 2.479 985 N HA 0.468 5.223 4.740 0.024 0.000 0.261 985 N C -1.189 174.181 175.510 -0.234 0.000 0.979 985 N CA -0.167 52.772 53.050 -0.184 0.000 0.930 985 N CB 2.071 40.482 38.487 -0.127 0.000 1.172 985 N HN 0.551 nan 8.380 nan 0.000 0.499 986 I N 1.814 122.199 120.570 -0.308 0.000 2.355 986 I HA 0.241 4.425 4.170 0.024 0.000 0.288 986 I C -0.556 175.383 176.117 -0.296 0.000 0.999 986 I CA -0.686 60.412 61.300 -0.338 0.000 1.163 986 I CB 1.303 38.933 38.000 -0.618 0.000 1.316 986 I HN 0.139 nan 8.210 nan 0.000 0.454 987 D N 4.799 125.057 120.400 -0.237 0.000 2.192 987 D HA 0.247 4.901 4.640 0.024 0.000 0.246 987 D C 0.966 176.970 176.300 -0.493 0.000 1.042 987 D CA -0.349 53.438 54.000 -0.356 0.000 0.847 987 D CB 2.440 43.135 40.800 -0.176 0.000 1.186 987 D HN 0.670 nan 8.370 nan 0.000 0.461 988 G N 1.019 109.211 108.800 -1.014 0.000 2.408 988 G HA2 -0.056 3.919 3.960 0.024 0.000 0.217 988 G HA3 -0.056 3.919 3.960 0.024 0.000 0.217 988 G C 0.096 174.312 174.900 -1.141 0.000 1.150 988 G CA 0.569 44.971 45.100 -1.163 0.000 0.776 988 G HN 0.395 nan 8.290 nan 0.000 0.542 989 F N -1.473 118.307 119.950 -0.284 0.000 2.588 989 F HA 0.493 5.034 4.527 0.024 0.000 0.318 989 F C -0.611 175.099 175.800 -0.150 0.000 1.155 989 F CA -1.142 56.768 58.000 -0.150 0.000 0.967 989 F CB 1.891 40.770 39.000 -0.202 0.000 1.236 989 F HN 0.023 nan 8.300 nan 0.000 0.455 990 H N 3.006 122.092 119.070 0.026 0.000 2.538 990 H HA 0.571 5.141 4.556 0.024 0.000 0.353 990 H C -0.540 174.824 175.328 0.060 0.000 1.109 990 H CA -0.926 55.116 56.048 -0.011 0.000 1.192 990 H CB 1.741 31.482 29.762 -0.035 0.000 1.555 990 H HN 0.767 nan 8.280 nan 0.000 0.518 991 M N 3.952 123.503 119.600 -0.082 0.000 2.238 991 M HA 0.280 4.775 4.480 0.024 0.000 0.347 991 M C 0.386 176.789 176.300 0.171 0.000 1.173 991 M CA 0.087 55.404 55.300 0.028 0.000 1.147 991 M CB 0.402 32.928 32.600 -0.124 0.000 1.547 991 M HN 0.830 nan 8.290 nan 0.000 0.455 992 G N 3.633 112.524 108.800 0.151 0.000 2.647 992 G HA2 0.214 4.188 3.960 0.024 0.000 0.234 992 G HA3 0.214 4.188 3.960 0.024 0.000 0.234 992 G C 0.605 175.479 174.900 -0.043 0.000 1.252 992 G CA -0.207 44.914 45.100 0.035 0.000 0.846 992 G HN 1.003 nan 8.290 nan 0.000 0.589 993 I N -0.825 119.672 120.570 -0.122 0.000 3.035 993 I HA 0.410 4.595 4.170 0.024 0.000 0.271 993 I C 1.335 177.373 176.117 -0.132 0.000 1.190 993 I CA 0.480 61.668 61.300 -0.186 0.000 1.472 993 I CB -0.597 37.188 38.000 -0.358 0.000 1.116 993 I HN 0.966 nan 8.210 nan 0.000 0.443 994 G N 1.351 110.093 108.800 -0.096 0.000 2.645 994 G HA2 0.059 4.033 3.960 0.024 0.000 0.246 994 G HA3 0.059 4.033 3.960 0.024 0.000 0.246 994 G C 0.535 175.424 174.900 -0.018 0.000 1.322 994 G CA 0.085 45.166 45.100 -0.031 0.000 0.898 994 G HN 1.434 nan 8.290 nan 0.000 0.573 995 G N -2.206 106.602 108.800 0.012 0.000 2.507 995 G HA2 0.087 4.061 3.960 0.024 0.000 0.205 995 G HA3 0.087 4.061 3.960 0.024 0.000 0.205 995 G C 0.568 175.516 174.900 0.079 0.000 0.996 995 G CA 0.983 46.095 45.100 0.020 0.000 0.776 995 G HN 0.897 nan 8.290 nan 0.000 0.532 996 D N 1.203 121.671 120.400 0.113 0.000 2.158 996 D HA 0.041 4.695 4.640 0.024 0.000 0.197 996 D C 1.110 177.443 176.300 0.055 0.000 0.995 996 D CA 2.177 56.305 54.000 0.213 0.000 0.846 996 D CB 0.187 41.119 40.800 0.219 0.000 0.941 996 D HN 0.773 nan 8.370 nan 0.000 0.456 997 D N -3.157 117.062 120.400 -0.300 0.000 2.664 997 D HA 0.377 5.031 4.640 0.024 0.000 0.292 997 D C -0.542 175.273 176.300 -0.809 0.000 1.214 997 D CA -0.703 52.711 54.000 -0.977 0.000 0.932 997 D CB 0.946 40.593 40.800 -1.921 0.000 1.420 997 D HN -0.302 nan 8.370 nan 0.000 0.471 998 S N -1.198 113.865 115.700 -1.062 0.000 2.663 998 S HA 0.203 4.687 4.470 0.024 0.000 0.243 998 S C -0.328 174.296 174.600 0.039 0.000 1.009 998 S CA -0.665 57.373 58.200 -0.270 0.000 0.988 998 S CB -0.359 62.903 63.200 0.103 0.000 0.896 998 S HN 0.641 nan 8.310 nan 0.000 0.502 999 W N 1.511 122.778 121.300 -0.054 0.000 2.714 999 W HA 0.543 5.216 4.660 0.023 0.000 0.353 999 W C 0.181 176.673 176.519 -0.044 0.000 0.999 999 W CA -0.339 56.979 57.345 -0.045 0.000 1.629 999 W CB -0.341 29.012 29.460 -0.178 0.000 1.106 999 W HN 0.174 nan 8.180 nan 0.000 0.545 1000 S N -1.083 114.532 115.700 -0.142 0.000 2.596 1000 S HA 0.617 5.101 4.470 0.024 0.000 0.270 1000 S C -3.106 171.451 174.600 -0.072 0.000 1.155 1000 S CA -1.745 56.410 58.200 -0.075 0.000 0.827 1000 S CB 1.571 64.746 63.200 -0.041 0.000 1.130 1000 S HN -0.255 nan 8.310 nan 0.000 0.467 1001 P HA 0.184 nan 4.420 nan 0.000 0.261 1001 P C 0.301 177.659 177.300 0.097 0.000 1.183 1001 P CA 0.083 63.230 63.100 0.079 0.000 0.761 1001 P CB 0.601 32.227 31.700 -0.124 0.000 0.785 1002 S N 0.574 116.362 115.700 0.147 0.000 2.893 1002 S HA 0.123 4.607 4.470 0.024 0.000 0.258 1002 S C 0.139 174.814 174.600 0.125 0.000 1.034 1002 S CA -0.327 57.925 58.200 0.086 0.000 1.167 1002 S CB -0.305 62.896 63.200 0.002 0.000 1.137 1002 S HN 0.104 nan 8.310 nan 0.000 0.650 1003 V N 3.059 123.082 119.914 0.182 0.000 2.439 1003 V HA 0.367 4.501 4.120 0.024 0.000 0.271 1003 V C 0.871 177.104 176.094 0.232 0.000 1.040 1003 V CA -0.202 62.190 62.300 0.154 0.000 1.002 1003 V CB 0.680 32.523 31.823 0.033 0.000 1.000 1003 V HN 0.535 nan 8.190 nan 0.000 0.477 1004 S N 4.231 120.080 115.700 0.248 0.000 2.573 1004 S HA 0.301 4.786 4.470 0.024 0.000 0.277 1004 S C 1.568 176.314 174.600 0.242 0.000 1.346 1004 S CA 0.103 58.451 58.200 0.246 0.000 1.034 1004 S CB 1.133 64.506 63.200 0.289 0.000 0.879 1004 S HN 0.978 nan 8.310 nan 0.000 0.528 1005 A N 3.460 126.377 122.820 0.161 0.000 1.892 1005 A HA -0.158 4.177 4.320 0.024 0.000 0.218 1005 A C 2.034 179.653 177.584 0.059 0.000 1.188 1005 A CA 1.907 54.022 52.037 0.129 0.000 0.631 1005 A CB -0.826 18.226 19.000 0.087 0.000 0.822 1005 A HN 0.975 nan 8.150 nan 0.000 0.447 1006 E N -0.828 119.347 120.200 -0.043 0.000 2.401 1006 E HA -0.160 4.204 4.350 0.024 0.000 0.199 1006 E C 0.628 176.996 176.600 -0.388 0.000 1.023 1006 E CA 0.900 57.156 56.400 -0.240 0.000 0.859 1006 E CB -0.433 29.045 29.700 -0.370 0.000 0.780 1006 E HN 0.618 nan 8.360 nan 0.000 0.523 1007 F N 1.285 121.284 119.950 0.081 0.000 2.639 1007 F HA 0.298 4.840 4.527 0.024 0.000 0.302 1007 F C 0.667 176.505 175.800 0.064 0.000 1.097 1007 F CA -0.331 57.718 58.000 0.082 0.000 1.294 1007 F CB 0.390 39.439 39.000 0.082 0.000 1.027 1007 F HN -0.171 nan 8.300 nan 0.000 0.550 1008 Q N 0.979 120.884 119.800 0.175 0.000 2.241 1008 Q HA 0.420 4.774 4.340 0.024 0.000 0.254 1008 Q C -0.166 175.864 176.000 0.050 0.000 0.917 1008 Q CA -0.546 55.339 55.803 0.138 0.000 0.919 1008 Q CB 2.089 30.980 28.738 0.256 0.000 1.237 1008 Q HN 0.222 nan 8.270 nan 0.000 0.434 1009 L N 2.606 123.853 121.223 0.040 0.000 2.384 1009 L HA 0.078 4.433 4.340 0.024 0.000 0.258 1009 L C 0.593 177.464 176.870 0.002 0.000 1.266 1009 L CA 0.034 54.873 54.840 -0.002 0.000 1.162 1009 L CB -0.512 41.437 42.059 -0.184 0.000 1.375 1009 L HN 0.690 nan 8.230 nan 0.000 0.420 1010 S N -1.391 114.251 115.700 -0.096 0.000 2.650 1010 S HA 0.182 4.666 4.470 0.024 0.000 0.240 1010 S C 1.516 176.073 174.600 -0.071 0.000 1.007 1010 S CA 0.148 58.137 58.200 -0.352 0.000 0.984 1010 S CB 0.841 63.583 63.200 -0.764 0.000 0.910 1010 S HN 0.486 nan 8.310 nan 0.000 0.509 1011 A N 1.433 124.243 122.820 -0.016 0.000 2.119 1011 A HA 0.492 4.827 4.320 0.024 0.000 0.217 1011 A C 2.084 179.534 177.584 -0.224 0.000 1.153 1011 A CA 1.077 52.947 52.037 -0.278 0.000 0.692 1011 A CB -1.206 17.371 19.000 -0.704 0.000 0.799 1011 A HN 1.486 nan 8.150 nan 0.000 0.458 1012 G N -1.236 107.553 108.800 -0.019 0.000 2.417 1012 G HA2 -0.301 3.674 3.960 0.024 0.000 0.233 1012 G HA3 -0.301 3.674 3.960 0.024 0.000 0.233 1012 G C 0.457 175.385 174.900 0.047 0.000 1.103 1012 G CA 0.479 45.612 45.100 0.055 0.000 0.647 1012 G HN 0.662 nan 8.290 nan 0.000 0.512 1013 R N -0.415 119.998 120.500 -0.145 0.000 2.502 1013 R HA 0.623 4.978 4.340 0.024 0.000 0.300 1013 R C -1.625 174.511 176.300 -0.272 0.000 0.984 1013 R CA -0.540 55.515 56.100 -0.075 0.000 0.882 1013 R CB 1.332 31.607 30.300 -0.042 0.000 1.180 1013 R HN 0.232 nan 8.270 nan 0.000 0.444 1014 Y N 0.850 121.170 120.300 0.033 0.000 2.409 1014 Y HA 0.330 4.894 4.550 0.024 0.000 0.343 1014 Y C -0.238 175.831 175.900 0.282 0.000 0.973 1014 Y CA -0.798 57.309 58.100 0.012 0.000 1.064 1014 Y CB 1.992 40.369 38.460 -0.138 0.000 1.207 1014 Y HN 0.557 nan 8.280 nan 0.000 0.452 1015 H N 3.389 122.730 119.070 0.451 0.000 2.600 1015 H HA 0.604 5.175 4.556 0.024 0.000 0.357 1015 H C -1.760 173.942 175.328 0.622 0.000 1.106 1015 H CA -0.922 55.369 56.048 0.406 0.000 1.193 1015 H CB 1.115 31.009 29.762 0.220 0.000 1.594 1015 H HN 0.585 nan 8.280 nan 0.000 0.526 1016 Y N 1.972 122.106 120.300 -0.276 0.000 2.552 1016 Y HA 0.364 4.928 4.550 0.024 0.000 0.337 1016 Y C -1.989 173.707 175.900 -0.340 0.000 1.094 1016 Y CA -1.121 56.850 58.100 -0.214 0.000 1.028 1016 Y CB 1.352 39.764 38.460 -0.080 0.000 1.321 1016 Y HN 0.723 nan 8.280 nan 0.000 0.456 1017 Q N 3.931 123.669 119.800 -0.102 0.000 2.337 1017 Q HA 0.740 5.094 4.340 0.024 0.000 0.270 1017 Q C -2.065 173.983 176.000 0.080 0.000 1.043 1017 Q CA -0.959 54.791 55.803 -0.089 0.000 0.794 1017 Q CB 3.123 31.853 28.738 -0.012 0.000 1.281 1017 Q HN 0.887 nan 8.270 nan 0.000 0.446 1018 L N 2.054 123.311 121.223 0.056 0.000 2.342 1018 L HA 0.672 5.026 4.340 0.024 0.000 0.271 1018 L C -0.929 176.033 176.870 0.154 0.000 1.008 1018 L CA -1.313 53.599 54.840 0.121 0.000 0.818 1018 L CB 2.514 44.626 42.059 0.088 0.000 1.296 1018 L HN 0.512 nan 8.230 nan 0.000 0.427 1019 V N 1.635 121.667 119.914 0.196 0.000 2.409 1019 V HA 0.331 4.465 4.120 0.024 0.000 0.291 1019 V C -1.054 175.209 176.094 0.281 0.000 1.020 1019 V CA -0.482 61.949 62.300 0.219 0.000 0.848 1019 V CB 1.824 33.751 31.823 0.173 0.000 0.990 1019 V HN 0.567 nan 8.190 nan 0.000 0.430 1020 W N 7.045 128.421 121.300 0.127 0.000 2.391 1020 W HA 0.696 5.370 4.660 0.024 0.000 0.311 1020 W C -0.099 176.446 176.519 0.043 0.000 1.087 1020 W CA -1.063 56.303 57.345 0.034 0.000 1.209 1020 W CB 1.380 30.939 29.460 0.166 0.000 1.273 1020 W HN 0.857 nan 8.180 nan 0.000 0.482 1021 C N 3.719 123.287 119.300 0.446 0.000 3.335 1021 C HA 0.658 5.132 4.460 0.024 0.000 0.356 1021 C C -0.732 174.364 174.990 0.177 0.000 1.570 1021 C CA -0.855 58.324 59.018 0.268 0.000 1.271 1021 C CB 1.798 29.638 27.740 0.167 0.000 1.873 1021 C HN 0.661 nan 8.230 nan 0.000 0.439 1022 Q N 1.131 120.979 119.800 0.081 0.000 2.306 1022 Q HA 0.713 5.067 4.340 0.024 0.000 0.265 1022 Q C -0.878 175.109 176.000 -0.021 0.000 1.022 1022 Q CA -0.244 55.547 55.803 -0.019 0.000 0.853 1022 Q CB 2.090 30.789 28.738 -0.065 0.000 1.327 1022 Q HN 0.887 nan 8.270 nan 0.000 0.449 1023 K N 0.000 120.366 120.400 -0.056 0.000 2.780 1023 K HA 0.000 4.334 4.320 0.024 0.000 0.191 1023 K CA 0.000 56.265 56.287 -0.037 0.000 0.838 1023 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543