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 2ppb_1_M DATA FIRST_RESID 1 DATA SEQUENCE MEIKRFGRIR EVIPLPPLTE IQVESYRRAL QADVPPEKRE NVGIQAAFRE DATA SEQUENCE TFPIEEEDKG KGGLVLDFLE YRLGEPPFPQ DECREKDLTY QAPLYARLQL DATA SEQUENCE IHKDTGLIKE DEVFLGHIPL MTEDGSFIIN GADRVIVSQI HRSPGVYFTP DATA SEQUENCE DPARPGRYIA SIIPLPKRGP WIDLEVEPNG VVSMKVNKRK FPLVLLLRVL DATA SEQUENCE GYDQETLARE LGAYGELVQG LMDESVFAMR PEEALIRLFT LLRPGDPPKR DATA SEQUENCE DKAVAYVYGL IADPRRYDLG EAGRYKAEEK LGIRLSGRTL ARFEDGEFKD DATA SEQUENCE EVFLPTLRYL FALTAGVPGH EVDDIDHLGN RRIRTVGELM TDQFRVGLAR DATA SEQUENCE LARGVRERML MGSEDSLTPA KLVNSRPLEA AIREFFSRSQ LSQFKDETNP DATA SEQUENCE LSSLRHKRRI SALGPGGLTR ERAGFDVRDV HRTHYGRICP VETPEGANIG DATA SEQUENCE LITSLAAYAR VDELGFIRTP YRRVVGGVVT DEVVYMTATE EDRYTIAQAN DATA SEQUENCE TPLEGNRIAA ERVVARRKGE PVIVSPEEVE FMDVSPKQVF SVNTNLIPFL DATA SEQUENCE EHDDANRALM GSNMQTQAVP LIRAQAPVVM TGLEERVVRD SLAALYAEED DATA SEQUENCE GEVAKVDGNR IVVRYEDGRL VEYPLRRFYR SNQGTALDQR PRVVVGQRVR DATA SEQUENCE KGDLLADGPA SENGFLALGQ NVLVAIMPFD GYNFEDAIVI SEELLKRDFY DATA SEQUENCE TSIHIERYEI EARDTKLGPE RITRDIPHLS EAALRDLDEE GVVRIGAEVK DATA SEQUENCE PGDILVGRTS FKGESEPTPE ERLLRSIFGE KARDVKDTSL RVPPGEGGIV DATA SEQUENCE VRTVRLRRGD PGVELKPGVR EVVRVYVAQK RKLQVGDKLA NRHGNKGVVA DATA SEQUENCE KILPVEDMPH LPDGTPVDVI LNPLGVPSRM NLGQILETHL GLAGYFLGQR DATA SEQUENCE YISPIFDGAK EPEIKELLAQ AFEVYFGKRK GEGFGVDKRE VEVLRRAEKL DATA SEQUENCE GLVTPGKTPE EQLKELFLQG KVVLYDGRTG EPIEGPIVVG QMFIMKLYHM DATA SEQUENCE VEDKMHARST GPYSLITQQP LGGKAQFGGQ RFGEMEVWAL EAYGAAHTLQ DATA SEQUENCE EMLTLKSDDI EGRNAAYEAI IKGEDVPEPS VPESFRVLVK ELQALALDVQ DATA SEQUENCE TLDEKDNPVD IFEGLASKR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.287 176.300 -0.022 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 E N 2.404 122.579 120.200 -0.042 0.000 2.235 2 E HA 0.750 5.100 4.350 0.001 0.000 0.265 2 E C -1.265 175.273 176.600 -0.102 0.000 0.940 2 E CA -0.946 55.420 56.400 -0.056 0.000 0.819 2 E CB 2.397 32.063 29.700 -0.056 0.000 1.206 2 E HN 0.342 nan 8.360 nan 0.000 0.409 3 I N 1.945 122.458 120.570 -0.094 0.000 2.499 3 I HA 0.334 4.504 4.170 0.001 0.000 0.288 3 I C -0.549 175.475 176.117 -0.155 0.000 1.048 3 I CA -0.596 60.626 61.300 -0.130 0.000 1.062 3 I CB 1.527 39.504 38.000 -0.038 0.000 1.238 3 I HN 0.416 nan 8.210 nan 0.000 0.426 4 K N 6.268 126.524 120.400 -0.240 0.000 2.502 4 K HA 0.593 4.913 4.320 0.001 0.000 0.254 4 K C -0.907 175.436 176.600 -0.428 0.000 0.947 4 K CA -0.716 55.406 56.287 -0.275 0.000 0.834 4 K CB 1.648 33.995 32.500 -0.255 0.000 1.112 4 K HN 0.552 nan 8.250 nan 0.000 0.427 5 R N 4.301 124.606 120.500 -0.324 0.000 2.215 5 R HA 0.281 4.622 4.340 0.001 0.000 0.336 5 R C 0.073 176.235 176.300 -0.230 0.000 0.996 5 R CA -0.496 55.452 56.100 -0.253 0.000 0.847 5 R CB 0.269 30.512 30.300 -0.096 0.000 1.127 5 R HN 0.443 nan 8.270 nan 0.000 0.465 6 F N 1.526 121.523 119.950 0.079 0.000 2.009 6 F HA 0.028 4.555 4.527 0.001 0.000 0.293 6 F C 1.976 177.809 175.800 0.056 0.000 1.156 6 F CA 1.129 59.174 58.000 0.076 0.000 1.168 6 F CB -0.642 38.407 39.000 0.082 0.000 0.981 6 F HN 0.642 nan 8.300 nan 0.000 0.475 7 G N 1.053 110.017 108.800 0.274 0.000 2.321 7 G HA2 0.224 4.185 3.960 0.001 0.000 0.237 7 G HA3 0.224 4.185 3.960 0.001 0.000 0.237 7 G C -0.287 174.677 174.900 0.106 0.000 1.282 7 G CA -0.398 44.799 45.100 0.162 0.000 0.886 7 G HN 0.063 nan 8.290 nan 0.000 0.528 8 R N 1.870 122.424 120.500 0.091 0.000 2.472 8 R HA 0.260 4.600 4.340 0.001 0.000 0.294 8 R C -1.010 175.324 176.300 0.056 0.000 1.243 8 R CA -0.757 55.383 56.100 0.066 0.000 1.023 8 R CB 1.067 31.403 30.300 0.060 0.000 1.157 8 R HN 0.514 nan 8.270 nan 0.000 0.530 9 I N 0.368 120.968 120.570 0.050 0.000 2.439 9 I HA 0.407 4.578 4.170 0.001 0.000 0.283 9 I C 0.384 176.518 176.117 0.029 0.000 1.023 9 I CA -1.019 60.305 61.300 0.040 0.000 1.100 9 I CB 1.158 39.185 38.000 0.046 0.000 1.238 9 I HN -0.044 nan 8.210 nan 0.000 0.445 10 R N 4.738 125.251 120.500 0.021 0.000 2.586 10 R HA 0.048 4.389 4.340 0.001 0.000 0.346 10 R C -0.230 176.074 176.300 0.007 0.000 1.044 10 R CA 0.157 56.267 56.100 0.016 0.000 1.004 10 R CB -0.237 30.070 30.300 0.012 0.000 0.968 10 R HN 0.634 nan 8.270 nan 0.000 0.438 11 E N 2.418 122.626 120.200 0.013 0.000 2.168 11 E HA -0.079 4.271 4.350 0.001 0.000 0.254 11 E C 1.034 177.637 176.600 0.006 0.000 1.228 11 E CA -0.044 56.361 56.400 0.008 0.000 0.956 11 E CB 0.742 30.467 29.700 0.042 0.000 1.031 11 E HN 0.246 nan 8.360 nan 0.000 0.441 12 V N 4.518 124.418 119.914 -0.023 0.000 2.453 12 V HA -0.109 4.012 4.120 0.001 0.000 0.247 12 V C 0.713 176.808 176.094 0.002 0.000 1.048 12 V CA 1.513 63.804 62.300 -0.015 0.000 1.049 12 V CB 0.051 31.854 31.823 -0.033 0.000 0.672 12 V HN 0.514 nan 8.190 nan 0.000 0.457 13 I N -2.715 117.857 120.570 0.004 0.000 2.730 13 I HA 0.653 4.823 4.170 0.001 0.000 0.298 13 I C -2.731 173.508 176.117 0.203 0.000 1.089 13 I CA -2.613 58.732 61.300 0.074 0.000 1.041 13 I CB 1.143 39.179 38.000 0.061 0.000 1.235 13 I HN -0.147 nan 8.210 nan 0.000 0.423 14 P HA 0.308 nan 4.420 nan 0.000 0.272 14 P C -0.806 176.622 177.300 0.214 0.000 1.240 14 P CA -0.394 62.808 63.100 0.171 0.000 0.791 14 P CB 0.426 32.171 31.700 0.074 0.000 0.978 15 L N 2.733 123.921 121.223 -0.057 0.000 2.453 15 L HA 0.208 4.548 4.340 0.001 0.000 0.272 15 L C -1.803 174.930 176.870 -0.228 0.000 1.182 15 L CA -1.273 53.263 54.840 -0.507 0.000 0.858 15 L CB -0.435 41.313 42.059 -0.519 0.000 1.120 15 L HN 0.349 nan 8.230 nan 0.000 0.474 16 P HA 0.108 nan 4.420 nan 0.000 0.272 16 P C -2.583 174.668 177.300 -0.082 0.000 1.254 16 P CA -1.248 61.821 63.100 -0.051 0.000 0.795 16 P CB -0.396 31.312 31.700 0.014 0.000 1.022 17 P HA 0.034 nan 4.420 nan 0.000 0.261 17 P C 0.682 177.941 177.300 -0.069 0.000 1.203 17 P CA 0.171 63.235 63.100 -0.060 0.000 0.767 17 P CB 0.029 31.704 31.700 -0.041 0.000 0.785 18 L N 3.466 124.640 121.223 -0.083 0.000 1.978 18 L HA -0.224 4.116 4.340 0.001 0.000 0.218 18 L C 1.960 178.798 176.870 -0.053 0.000 1.075 18 L CA 2.317 57.109 54.840 -0.079 0.000 0.767 18 L CB -1.664 40.349 42.059 -0.077 0.000 0.890 18 L HN 0.350 nan 8.230 nan 0.000 0.434 19 T N -0.771 113.759 114.554 -0.040 0.000 3.400 19 T HA -0.101 4.250 4.350 0.001 0.000 0.254 19 T C 1.482 176.173 174.700 -0.016 0.000 1.153 19 T CA 0.657 62.744 62.100 -0.022 0.000 1.012 19 T CB -0.553 68.309 68.868 -0.011 0.000 0.994 19 T HN 0.531 nan 8.240 nan 0.000 0.555 20 E N 1.659 121.842 120.200 -0.029 0.000 2.086 20 E HA -0.247 4.104 4.350 0.001 0.000 0.200 20 E C 1.615 178.203 176.600 -0.020 0.000 1.012 20 E CA 1.608 57.992 56.400 -0.027 0.000 0.812 20 E CB -0.557 29.116 29.700 -0.045 0.000 0.743 20 E HN 0.494 nan 8.360 nan 0.000 0.453 21 I N 1.447 122.001 120.570 -0.027 0.000 2.113 21 I HA -0.342 3.828 4.170 0.001 0.000 0.242 21 I C 2.849 178.966 176.117 -0.002 0.000 1.064 21 I CA 1.881 63.166 61.300 -0.024 0.000 1.320 21 I CB -0.727 37.254 38.000 -0.030 0.000 1.028 21 I HN 0.190 nan 8.210 nan 0.000 0.406 22 Q N 0.129 119.932 119.800 0.005 0.000 2.083 22 Q HA -0.070 4.271 4.340 0.001 0.000 0.198 22 Q C 2.558 178.606 176.000 0.079 0.000 0.969 22 Q CA 1.497 57.318 55.803 0.029 0.000 0.838 22 Q CB -0.224 28.524 28.738 0.018 0.000 0.900 22 Q HN 0.453 nan 8.270 nan 0.000 0.436 23 V N 1.632 121.584 119.914 0.064 0.000 2.237 23 V HA -0.220 3.901 4.120 0.001 0.000 0.245 23 V C 2.163 178.313 176.094 0.093 0.000 1.046 23 V CA 1.756 64.107 62.300 0.084 0.000 1.007 23 V CB -0.537 31.312 31.823 0.043 0.000 0.638 23 V HN 0.270 nan 8.190 nan 0.000 0.445 24 E N -0.017 120.213 120.200 0.050 0.000 2.204 24 E HA -0.151 4.200 4.350 0.001 0.000 0.194 24 E C 2.443 179.077 176.600 0.058 0.000 0.989 24 E CA 1.351 57.773 56.400 0.037 0.000 0.824 24 E CB -0.453 29.248 29.700 0.001 0.000 0.756 24 E HN 0.522 nan 8.360 nan 0.000 0.477 25 S N -0.012 115.732 115.700 0.074 0.000 2.359 25 S HA -0.189 4.281 4.470 0.001 0.000 0.224 25 S C 1.810 176.520 174.600 0.183 0.000 1.035 25 S CA 0.863 59.119 58.200 0.093 0.000 1.018 25 S CB -0.240 63.008 63.200 0.080 0.000 0.876 25 S HN 0.275 nan 8.310 nan 0.000 0.448 26 Y N 2.114 122.443 120.300 0.048 0.000 2.509 26 Y HA 0.210 4.760 4.550 0.001 0.000 0.293 26 Y C 2.362 178.276 175.900 0.022 0.000 1.133 26 Y CA 0.656 58.794 58.100 0.063 0.000 1.283 26 Y CB -0.308 38.219 38.460 0.112 0.000 1.001 26 Y HN 0.212 nan 8.280 nan 0.000 0.555 27 R N -0.135 120.424 120.500 0.098 0.000 2.057 27 R HA -0.129 4.211 4.340 0.001 0.000 0.229 27 R C 2.441 178.727 176.300 -0.023 0.000 1.136 27 R CA 1.342 57.445 56.100 0.005 0.000 0.952 27 R CB -0.193 30.118 30.300 0.017 0.000 0.848 27 R HN 0.187 nan 8.270 nan 0.000 0.430 28 R N 0.109 120.608 120.500 -0.002 0.000 2.096 28 R HA -0.091 4.249 4.340 0.001 0.000 0.235 28 R C 2.085 178.358 176.300 -0.045 0.000 1.127 28 R CA 1.334 57.422 56.100 -0.019 0.000 0.968 28 R CB -0.229 30.064 30.300 -0.012 0.000 0.861 28 R HN 0.290 nan 8.270 nan 0.000 0.440 29 A N 1.535 124.336 122.820 -0.033 0.000 1.842 29 A HA -0.144 4.177 4.320 0.001 0.000 0.217 29 A C 1.076 178.562 177.584 -0.164 0.000 1.206 29 A CA 1.542 53.538 52.037 -0.068 0.000 0.630 29 A CB -0.667 18.356 19.000 0.038 0.000 0.839 29 A HN 0.391 nan 8.150 nan 0.000 0.447 30 L N -3.005 118.080 121.223 -0.231 0.000 2.297 30 L HA 0.472 4.813 4.340 0.001 0.000 0.277 30 L C 0.399 177.224 176.870 -0.075 0.000 1.040 30 L CA -0.182 54.541 54.840 -0.196 0.000 0.867 30 L CB 1.115 42.974 42.059 -0.332 0.000 1.244 30 L HN 0.400 nan 8.230 nan 0.000 0.433 31 Q N 2.586 122.405 119.800 0.032 0.000 2.452 31 Q HA 0.029 4.369 4.340 0.001 0.000 0.214 31 Q C 1.612 177.715 176.000 0.171 0.000 0.966 31 Q CA 0.584 56.447 55.803 0.101 0.000 0.964 31 Q CB 0.349 29.151 28.738 0.108 0.000 0.992 31 Q HN 1.027 nan 8.270 nan 0.000 0.517 32 A N 0.724 123.623 122.820 0.132 0.000 1.997 32 A HA -0.254 4.066 4.320 0.001 0.000 0.221 32 A C 1.659 179.186 177.584 -0.095 0.000 1.172 32 A CA 1.984 53.990 52.037 -0.052 0.000 0.645 32 A CB -0.508 18.442 19.000 -0.084 0.000 0.813 32 A HN 0.550 nan 8.150 nan 0.000 0.454 33 D N -0.770 119.597 120.400 -0.056 0.000 2.218 33 D HA -0.058 4.582 4.640 0.001 0.000 0.204 33 D C 0.769 177.039 176.300 -0.050 0.000 0.976 33 D CA 1.336 55.303 54.000 -0.055 0.000 0.853 33 D CB -0.152 40.625 40.800 -0.038 0.000 0.939 33 D HN 0.428 nan 8.370 nan 0.000 0.481 34 V N -2.689 117.204 119.914 -0.034 0.000 2.513 34 V HA 0.595 4.716 4.120 0.001 0.000 0.299 34 V C -2.476 173.590 176.094 -0.046 0.000 1.035 34 V CA -2.239 60.044 62.300 -0.029 0.000 0.889 34 V CB 1.418 33.239 31.823 -0.003 0.000 0.988 34 V HN -0.202 nan 8.190 nan 0.000 0.440 35 P HA 0.119 nan 4.420 nan 0.000 0.271 35 P C -2.189 175.085 177.300 -0.043 0.000 1.212 35 P CA -0.572 62.480 63.100 -0.081 0.000 0.788 35 P CB -0.180 31.483 31.700 -0.062 0.000 0.865 36 P HA -0.153 nan 4.420 nan 0.000 0.225 36 P C 0.929 178.243 177.300 0.023 0.000 1.148 36 P CA 1.267 64.392 63.100 0.041 0.000 0.779 36 P CB -0.180 31.497 31.700 -0.039 0.000 0.780 37 E N -0.229 119.961 120.200 -0.015 0.000 2.051 37 E HA -0.107 4.243 4.350 0.001 0.000 0.192 37 E C 0.508 177.108 176.600 0.000 0.000 0.991 37 E CA 0.699 57.088 56.400 -0.018 0.000 0.799 37 E CB -0.448 29.235 29.700 -0.028 0.000 0.748 37 E HN 0.161 nan 8.360 nan 0.000 0.449 38 K N 1.832 122.237 120.400 0.009 0.000 2.491 38 K HA -0.008 4.313 4.320 0.001 0.000 0.279 38 K C 1.063 177.677 176.600 0.024 0.000 1.026 38 K CA 0.420 56.715 56.287 0.014 0.000 1.070 38 K CB 0.474 32.983 32.500 0.015 0.000 0.887 38 K HN 0.046 nan 8.250 nan 0.000 0.481 39 R N 1.904 122.411 120.500 0.012 0.000 2.112 39 R HA -0.158 4.182 4.340 0.001 0.000 0.242 39 R C 0.219 176.526 176.300 0.010 0.000 1.137 39 R CA 1.309 57.414 56.100 0.009 0.000 0.944 39 R CB -0.228 30.074 30.300 0.004 0.000 0.857 39 R HN 0.643 nan 8.270 nan 0.000 0.435 40 E N 1.591 121.795 120.200 0.008 0.000 2.786 40 E HA -0.149 4.201 4.350 0.001 0.000 0.229 40 E C -0.253 176.342 176.600 -0.008 0.000 1.181 40 E CA 0.381 56.780 56.400 -0.001 0.000 0.945 40 E CB -0.508 29.191 29.700 -0.002 0.000 1.004 40 E HN 0.474 nan 8.360 nan 0.000 0.515 41 N N 1.074 119.765 118.700 -0.015 0.000 2.321 41 N HA 0.063 4.804 4.740 0.001 0.000 0.242 41 N C -0.216 175.261 175.510 -0.055 0.000 1.141 41 N CA -0.424 52.607 53.050 -0.032 0.000 0.864 41 N CB 0.594 39.080 38.487 -0.002 0.000 1.100 41 N HN -0.026 nan 8.380 nan 0.000 0.510 42 V N -0.297 119.582 119.914 -0.058 0.000 3.295 42 V HA 0.608 4.729 4.120 0.001 0.000 0.308 42 V C 1.605 177.631 176.094 -0.113 0.000 1.068 42 V CA 0.114 62.376 62.300 -0.063 0.000 1.062 42 V CB 0.504 32.302 31.823 -0.042 0.000 1.162 42 V HN 0.524 nan 8.190 nan 0.000 0.456 43 G N 0.572 109.304 108.800 -0.113 0.000 2.561 43 G HA2 -0.254 3.707 3.960 0.001 0.000 0.289 43 G HA3 -0.254 3.707 3.960 0.001 0.000 0.289 43 G C 0.638 175.363 174.900 -0.291 0.000 1.169 43 G CA 0.218 45.215 45.100 -0.173 0.000 0.980 43 G HN 0.578 nan 8.290 nan 0.000 0.550 44 I N 0.804 121.129 120.570 -0.408 0.000 2.065 44 I HA -0.283 3.887 4.170 0.001 0.000 0.236 44 I C 2.844 178.705 176.117 -0.427 0.000 1.028 44 I CA 2.872 63.810 61.300 -0.604 0.000 1.299 44 I CB -1.627 36.085 38.000 -0.480 0.000 1.015 44 I HN 0.734 nan 8.210 nan 0.000 0.396 45 Q N 0.120 119.605 119.800 -0.524 0.000 2.112 45 Q HA -0.228 4.113 4.340 0.001 0.000 0.206 45 Q C 2.293 178.232 176.000 -0.103 0.000 0.987 45 Q CA 2.344 57.899 55.803 -0.413 0.000 0.858 45 Q CB -0.029 28.414 28.738 -0.492 0.000 0.905 45 Q HN 0.596 nan 8.270 nan 0.000 0.420 46 A N 0.601 123.358 122.820 -0.105 0.000 1.858 46 A HA -0.132 4.188 4.320 0.001 0.000 0.216 46 A C 2.264 179.868 177.584 0.034 0.000 1.190 46 A CA 1.764 53.790 52.037 -0.018 0.000 0.617 46 A CB -1.020 17.958 19.000 -0.036 0.000 0.827 46 A HN 0.511 nan 8.150 nan 0.000 0.443 47 A N -1.704 121.118 122.820 0.003 0.000 1.978 47 A HA -0.062 4.258 4.320 0.001 0.000 0.220 47 A C 1.982 179.711 177.584 0.243 0.000 1.170 47 A CA 1.612 53.720 52.037 0.119 0.000 0.636 47 A CB -0.707 18.373 19.000 0.134 0.000 0.810 47 A HN 0.487 nan 8.150 nan 0.000 0.448 48 F N -0.245 119.761 119.950 0.093 0.000 2.102 48 F HA -0.089 4.438 4.527 0.001 0.000 0.298 48 F C 2.399 178.219 175.800 0.033 0.000 1.105 48 F CA 1.927 59.940 58.000 0.023 0.000 1.239 48 F CB -0.145 38.598 39.000 -0.428 0.000 0.991 48 F HN 0.128 nan 8.300 nan 0.000 0.474 49 R N -0.019 120.649 120.500 0.281 0.000 2.240 49 R HA -0.066 4.275 4.340 0.001 0.000 0.203 49 R C 2.127 178.537 176.300 0.183 0.000 1.011 49 R CA 0.687 56.949 56.100 0.270 0.000 1.007 49 R CB -0.238 30.196 30.300 0.222 0.000 0.911 49 R HN 0.342 nan 8.270 nan 0.000 0.468 50 E N -0.604 119.675 120.200 0.132 0.000 2.110 50 E HA -0.133 4.217 4.350 0.001 0.000 0.193 50 E C 0.035 176.660 176.600 0.042 0.000 0.988 50 E CA 1.667 58.109 56.400 0.069 0.000 0.804 50 E CB 0.298 30.029 29.700 0.051 0.000 0.745 50 E HN 0.287 nan 8.360 nan 0.000 0.458 51 T N -1.235 113.345 114.554 0.045 0.000 3.275 51 T HA 0.146 4.496 4.350 0.001 0.000 0.298 51 T C 0.451 175.154 174.700 0.006 0.000 0.988 51 T CA -0.543 61.543 62.100 -0.024 0.000 0.936 51 T CB -0.067 68.723 68.868 -0.130 0.000 1.159 51 T HN 0.042 nan 8.240 nan 0.000 0.519 52 F N 2.891 122.864 119.950 0.038 0.000 2.188 52 F HA 0.299 4.826 4.527 0.001 0.000 0.289 52 F C -1.864 173.985 175.800 0.081 0.000 1.082 52 F CA -0.429 57.627 58.000 0.094 0.000 1.282 52 F CB -0.665 38.479 39.000 0.240 0.000 1.060 52 F HN -0.052 nan 8.300 nan 0.000 0.493 53 P HA -0.029 nan 4.420 nan 0.000 0.257 53 P C -0.259 177.128 177.300 0.145 0.000 1.269 53 P CA 0.599 63.859 63.100 0.268 0.000 1.122 53 P CB -0.390 31.414 31.700 0.174 0.000 1.285 54 I N 2.332 122.977 120.570 0.125 0.000 2.347 54 I HA 0.137 4.308 4.170 0.001 0.000 0.294 54 I C 0.130 176.272 176.117 0.043 0.000 1.090 54 I CA -0.465 60.857 61.300 0.036 0.000 1.314 54 I CB 0.305 38.294 38.000 -0.017 0.000 1.423 54 I HN 0.039 nan 8.210 nan 0.000 0.503 55 E N 7.127 127.345 120.200 0.029 0.000 2.055 55 E HA 0.285 4.636 4.350 0.001 0.000 0.274 55 E C -1.297 175.317 176.600 0.023 0.000 0.949 55 E CA -0.328 56.092 56.400 0.033 0.000 0.775 55 E CB 0.662 30.384 29.700 0.038 0.000 1.097 55 E HN 0.412 nan 8.360 nan 0.000 0.404 56 E N 3.714 123.931 120.200 0.030 0.000 2.186 56 E HA 0.155 4.505 4.350 0.001 0.000 0.255 56 E C -0.163 176.459 176.600 0.038 0.000 0.881 56 E CA -0.399 56.018 56.400 0.029 0.000 0.752 56 E CB 1.842 31.556 29.700 0.022 0.000 1.176 56 E HN 0.510 nan 8.360 nan 0.000 0.421 57 E N 2.176 122.401 120.200 0.041 0.000 2.184 57 E HA 0.106 4.456 4.350 0.001 0.000 0.194 57 E C -0.527 176.097 176.600 0.041 0.000 0.978 57 E CA 0.615 57.041 56.400 0.043 0.000 0.998 57 E CB 0.449 30.177 29.700 0.047 0.000 1.240 57 E HN 0.238 nan 8.360 nan 0.000 0.492 58 D N 0.575 121.001 120.400 0.043 0.000 2.629 58 D HA 0.343 4.984 4.640 0.001 0.000 0.250 58 D C -1.167 175.156 176.300 0.038 0.000 1.126 58 D CA -0.270 53.753 54.000 0.039 0.000 0.852 58 D CB 1.335 42.157 40.800 0.038 0.000 1.335 58 D HN 0.127 nan 8.370 nan 0.000 0.518 59 K N 1.660 122.079 120.400 0.032 0.000 2.370 59 K HA 0.394 4.714 4.320 0.001 0.000 0.315 59 K C 0.346 176.960 176.600 0.023 0.000 1.589 59 K CA -0.494 55.809 56.287 0.027 0.000 0.963 59 K CB 0.386 32.903 32.500 0.028 0.000 1.424 59 K HN 0.716 nan 8.250 nan 0.000 0.467 60 G N 2.893 111.705 108.800 0.020 0.000 2.650 60 G HA2 -0.331 3.630 3.960 0.001 0.000 0.264 60 G HA3 -0.331 3.630 3.960 0.001 0.000 0.264 60 G C -0.831 174.080 174.900 0.019 0.000 1.263 60 G CA 0.327 45.437 45.100 0.017 0.000 0.960 60 G HN 0.698 nan 8.290 nan 0.000 0.548 61 K N 0.998 121.410 120.400 0.019 0.000 2.324 61 K HA 0.682 5.002 4.320 0.001 0.000 0.253 61 K C 0.306 176.924 176.600 0.030 0.000 0.932 61 K CA 0.168 56.469 56.287 0.023 0.000 0.799 61 K CB 1.516 34.027 32.500 0.017 0.000 1.154 61 K HN 1.455 nan 8.250 nan 0.000 0.425 62 G N 0.488 109.310 108.800 0.037 0.000 3.039 62 G HA2 0.519 4.480 3.960 0.001 0.000 0.202 62 G HA3 0.519 4.480 3.960 0.001 0.000 0.202 62 G C 0.224 175.157 174.900 0.054 0.000 1.151 62 G CA -0.236 44.891 45.100 0.045 0.000 0.836 62 G HN 1.131 nan 8.290 nan 0.000 0.598 63 G N -1.045 107.787 108.800 0.053 0.000 2.140 63 G HA2 0.110 4.070 3.960 0.001 0.000 0.211 63 G HA3 0.110 4.070 3.960 0.001 0.000 0.211 63 G C 0.172 175.110 174.900 0.062 0.000 1.013 63 G CA 0.364 45.496 45.100 0.055 0.000 0.705 63 G HN 1.557 nan 8.290 nan 0.000 0.508 64 L N 0.851 122.111 121.223 0.061 0.000 2.410 64 L HA 0.635 4.975 4.340 0.001 0.000 0.273 64 L C 0.131 177.032 176.870 0.051 0.000 1.144 64 L CA -0.333 54.544 54.840 0.060 0.000 0.863 64 L CB 1.422 43.514 42.059 0.055 0.000 1.140 64 L HN 0.471 nan 8.230 nan 0.000 0.463 65 V N 5.947 125.886 119.914 0.041 0.000 2.498 65 V HA 0.380 4.500 4.120 0.001 0.000 0.283 65 V C -0.527 175.612 176.094 0.076 0.000 1.015 65 V CA -0.565 61.769 62.300 0.056 0.000 0.867 65 V CB 0.946 32.793 31.823 0.039 0.000 1.025 65 V HN 0.732 nan 8.190 nan 0.000 0.441 66 L N 3.553 124.867 121.223 0.150 0.000 2.296 66 L HA 0.853 5.194 4.340 0.001 0.000 0.286 66 L C -0.734 176.414 176.870 0.464 0.000 1.023 66 L CA 0.606 55.612 54.840 0.277 0.000 0.812 66 L CB 1.335 43.557 42.059 0.271 0.000 1.223 66 L HN 0.594 nan 8.230 nan 0.000 0.421 67 D N 3.131 123.698 120.400 0.278 0.000 2.527 67 D HA 0.294 4.935 4.640 0.001 0.000 0.233 67 D C -1.320 174.592 176.300 -0.648 0.000 1.063 67 D CA -0.096 53.873 54.000 -0.051 0.000 0.880 67 D CB 2.009 42.788 40.800 -0.035 0.000 1.457 67 D HN 0.249 nan 8.370 nan 0.000 0.475 68 F N 2.065 121.256 119.950 -1.266 0.000 2.410 68 F HA 0.313 4.841 4.527 0.001 0.000 0.348 68 F C 0.159 175.657 175.800 -0.504 0.000 1.106 68 F CA -0.344 56.940 58.000 -1.193 0.000 1.163 68 F CB 0.708 39.102 39.000 -1.011 0.000 1.129 68 F HN 0.290 nan 8.300 nan 0.000 0.516 69 L N 2.898 123.564 121.223 -0.927 0.000 2.416 69 L HA 0.377 4.717 4.340 0.001 0.000 0.188 69 L C -0.256 175.904 176.870 -1.183 0.000 1.145 69 L CA 0.339 54.696 54.840 -0.805 0.000 0.826 69 L CB 0.234 42.051 42.059 -0.402 0.000 1.064 69 L HN 0.556 nan 8.230 nan 0.000 0.490 70 E N -0.715 118.908 120.200 -0.962 0.000 2.321 70 E HA 0.206 4.557 4.350 0.001 0.000 0.278 70 E C -1.908 174.666 176.600 -0.044 0.000 0.902 70 E CA -0.607 55.451 56.400 -0.570 0.000 0.758 70 E CB 2.019 31.546 29.700 -0.287 0.000 1.213 70 E HN 0.214 nan 8.360 nan 0.000 0.426 71 Y N 0.796 121.169 120.300 0.120 0.000 2.327 71 Y HA 0.643 5.194 4.550 0.001 0.000 0.336 71 Y C -0.417 175.498 175.900 0.026 0.000 1.035 71 Y CA -1.017 57.158 58.100 0.126 0.000 1.165 71 Y CB 0.683 39.146 38.460 0.005 0.000 1.181 71 Y HN 0.414 nan 8.280 nan 0.000 0.494 72 R N 4.881 125.268 120.500 -0.188 0.000 2.515 72 R HA 0.683 5.024 4.340 0.001 0.000 0.291 72 R C -2.307 173.813 176.300 -0.299 0.000 1.046 72 R CA -1.000 54.928 56.100 -0.287 0.000 0.914 72 R CB 1.248 31.465 30.300 -0.140 0.000 1.191 72 R HN 0.851 nan 8.270 nan 0.000 0.435 73 L N -0.415 120.618 121.223 -0.317 0.000 2.410 73 L HA 1.024 5.364 4.340 0.001 0.000 0.270 73 L C 0.165 176.894 176.870 -0.235 0.000 0.983 73 L CA -0.118 54.502 54.840 -0.367 0.000 0.822 73 L CB 2.589 44.510 42.059 -0.231 0.000 1.285 73 L HN 0.809 nan 8.230 nan 0.000 0.409 74 G N 1.522 110.209 108.800 -0.188 0.000 3.293 74 G HA2 0.133 4.093 3.960 0.001 0.000 0.157 74 G HA3 0.133 4.093 3.960 0.001 0.000 0.157 74 G C -0.218 174.656 174.900 -0.044 0.000 1.298 74 G CA -0.194 44.850 45.100 -0.093 0.000 0.831 74 G HN 0.533 nan 8.290 nan 0.000 0.902 75 E N 2.022 122.214 120.200 -0.014 0.000 2.256 75 E HA 0.411 4.761 4.350 0.001 0.000 0.243 75 E C -2.560 174.031 176.600 -0.015 0.000 0.925 75 E CA -1.672 54.725 56.400 -0.005 0.000 0.748 75 E CB 2.107 31.816 29.700 0.014 0.000 1.206 75 E HN 0.088 nan 8.360 nan 0.000 0.428 76 P HA -0.088 nan 4.420 nan 0.000 0.263 76 P C -1.944 175.345 177.300 -0.018 0.000 1.175 76 P CA -0.679 62.437 63.100 0.027 0.000 0.761 76 P CB 0.378 32.181 31.700 0.171 0.000 0.794 77 P HA -0.083 nan 4.420 nan 0.000 0.213 77 P C -0.110 177.070 177.300 -0.199 0.000 1.170 77 P CA 1.524 64.614 63.100 -0.017 0.000 0.898 77 P CB 0.104 31.884 31.700 0.134 0.000 0.787 78 F N -2.569 117.363 119.950 -0.030 0.000 2.691 78 F HA 0.518 5.046 4.527 0.001 0.000 0.334 78 F C -2.280 173.436 175.800 -0.139 0.000 1.107 78 F CA -2.124 55.839 58.000 -0.061 0.000 0.991 78 F CB 0.797 39.760 39.000 -0.060 0.000 1.400 78 F HN -0.272 nan 8.300 nan 0.000 0.503 79 P HA 0.301 nan 4.420 nan 0.000 0.287 79 P C -0.504 176.544 177.300 -0.420 0.000 1.290 79 P CA -0.424 62.513 63.100 -0.272 0.000 0.889 79 P CB 1.736 33.349 31.700 -0.143 0.000 1.190 80 Q N 0.055 119.450 119.800 -0.674 0.000 1.954 80 Q HA -0.238 4.103 4.340 0.001 0.000 0.215 80 Q C 1.522 177.357 176.000 -0.276 0.000 1.026 80 Q CA 2.202 57.668 55.803 -0.562 0.000 0.881 80 Q CB -0.489 28.020 28.738 -0.383 0.000 0.977 80 Q HN 0.513 nan 8.270 nan 0.000 0.416 81 D N -0.181 120.101 120.400 -0.196 0.000 2.178 81 D HA -0.143 4.498 4.640 0.001 0.000 0.201 81 D C 1.820 178.095 176.300 -0.042 0.000 0.980 81 D CA 0.742 54.677 54.000 -0.107 0.000 0.842 81 D CB -0.103 40.682 40.800 -0.025 0.000 0.948 81 D HN 0.198 nan 8.370 nan 0.000 0.472 82 E N 0.177 120.350 120.200 -0.045 0.000 2.268 82 E HA -0.101 4.250 4.350 0.001 0.000 0.195 82 E C 1.971 178.549 176.600 -0.037 0.000 0.995 82 E CA 0.224 56.623 56.400 -0.002 0.000 0.836 82 E CB -0.097 29.648 29.700 0.075 0.000 0.763 82 E HN 0.284 nan 8.360 nan 0.000 0.491 83 C N -0.246 119.011 119.300 -0.073 0.000 2.468 83 C HA 0.129 4.590 4.460 0.001 0.000 0.277 83 C C 2.492 177.461 174.990 -0.035 0.000 1.400 83 C CA 0.028 59.009 59.018 -0.062 0.000 1.770 83 C CB -0.613 27.083 27.740 -0.073 0.000 1.905 83 C HN 0.337 nan 8.230 nan 0.000 0.519 84 R N 0.279 120.761 120.500 -0.031 0.000 2.146 84 R HA 0.015 4.355 4.340 0.001 0.000 0.206 84 R C 2.212 178.542 176.300 0.051 0.000 1.049 84 R CA 0.321 56.423 56.100 0.003 0.000 1.029 84 R CB -0.269 30.021 30.300 -0.018 0.000 0.949 84 R HN 0.548 nan 8.270 nan 0.000 0.471 85 E N 1.677 121.908 120.200 0.052 0.000 2.031 85 E HA -0.114 4.236 4.350 0.001 0.000 0.193 85 E C -0.095 176.539 176.600 0.057 0.000 0.994 85 E CA 1.166 57.612 56.400 0.076 0.000 0.800 85 E CB 0.268 30.001 29.700 0.056 0.000 0.752 85 E HN 0.095 nan 8.360 nan 0.000 0.447 86 K N 1.472 121.878 120.400 0.010 0.000 2.174 86 K HA 0.098 4.419 4.320 0.001 0.000 0.275 86 K C -0.796 175.792 176.600 -0.019 0.000 1.015 86 K CA -0.514 55.761 56.287 -0.020 0.000 0.933 86 K CB 0.951 33.401 32.500 -0.084 0.000 1.025 86 K HN -0.008 nan 8.250 nan 0.000 0.463 87 D N 3.348 123.742 120.400 -0.009 0.000 2.489 87 D HA 0.036 4.676 4.640 0.001 0.000 0.237 87 D C -0.486 175.805 176.300 -0.015 0.000 1.212 87 D CA 0.193 54.196 54.000 0.004 0.000 1.058 87 D CB -0.059 40.753 40.800 0.020 0.000 1.098 87 D HN 0.117 nan 8.370 nan 0.000 0.509 88 L N 1.015 122.225 121.223 -0.021 0.000 2.319 88 L HA 0.496 4.836 4.340 0.001 0.000 0.267 88 L C -0.295 176.585 176.870 0.016 0.000 1.011 88 L CA -0.518 54.304 54.840 -0.030 0.000 0.818 88 L CB 2.439 44.447 42.059 -0.084 0.000 1.316 88 L HN 0.003 nan 8.230 nan 0.000 0.432 89 T N 2.161 116.732 114.554 0.029 0.000 2.821 89 T HA 0.252 4.603 4.350 0.001 0.000 0.307 89 T C -1.039 173.713 174.700 0.086 0.000 1.034 89 T CA -0.296 61.840 62.100 0.059 0.000 0.953 89 T CB -0.258 68.639 68.868 0.048 0.000 0.968 89 T HN 0.409 nan 8.240 nan 0.000 0.462 90 Y N 6.098 126.368 120.300 -0.050 0.000 2.730 90 Y HA 0.322 4.873 4.550 0.001 0.000 0.354 90 Y C -0.063 175.769 175.900 -0.114 0.000 1.139 90 Y CA -0.598 57.460 58.100 -0.071 0.000 1.516 90 Y CB -0.381 38.043 38.460 -0.059 0.000 1.204 90 Y HN 0.677 nan 8.280 nan 0.000 0.520 91 Q N 4.083 123.835 119.800 -0.080 0.000 2.379 91 Q HA 0.812 5.152 4.340 0.001 0.000 0.278 91 Q C -1.150 174.723 176.000 -0.212 0.000 1.068 91 Q CA -0.996 54.670 55.803 -0.229 0.000 0.816 91 Q CB 1.743 30.380 28.738 -0.168 0.000 1.387 91 Q HN 0.680 nan 8.270 nan 0.000 0.413 92 A N 2.104 124.819 122.820 -0.175 0.000 2.316 92 A HA 0.746 5.067 4.320 0.001 0.000 0.284 92 A C -2.400 175.231 177.584 0.078 0.000 1.115 92 A CA -1.642 50.337 52.037 -0.097 0.000 0.812 92 A CB 0.123 19.036 19.000 -0.146 0.000 1.064 92 A HN 0.466 nan 8.150 nan 0.000 0.489 93 P HA 0.452 nan 4.420 nan 0.000 0.285 93 P C -1.104 176.037 177.300 -0.265 0.000 1.259 93 P CA -0.224 62.882 63.100 0.010 0.000 0.794 93 P CB 1.012 32.669 31.700 -0.073 0.000 0.940 94 L N 4.326 125.472 121.223 -0.128 0.000 2.381 94 L HA 0.727 5.067 4.340 0.001 0.000 0.274 94 L C -1.750 175.090 176.870 -0.049 0.000 0.988 94 L CA -0.851 53.855 54.840 -0.224 0.000 0.824 94 L CB 1.125 43.222 42.059 0.064 0.000 1.263 94 L HN 0.317 nan 8.230 nan 0.000 0.410 95 Y N 2.412 122.847 120.300 0.225 0.000 2.301 95 Y HA 0.892 5.442 4.550 0.001 0.000 0.325 95 Y C -0.298 175.724 175.900 0.203 0.000 1.103 95 Y CA -1.261 56.978 58.100 0.232 0.000 1.182 95 Y CB 0.180 38.760 38.460 0.199 0.000 1.139 95 Y HN 0.896 nan 8.280 nan 0.000 0.443 96 A N 3.678 126.742 122.820 0.407 0.000 2.279 96 A HA 0.748 5.068 4.320 0.001 0.000 0.303 96 A C 0.083 177.860 177.584 0.321 0.000 1.108 96 A CA -1.130 51.114 52.037 0.345 0.000 0.830 96 A CB 0.631 19.819 19.000 0.314 0.000 1.106 96 A HN 0.835 nan 8.150 nan 0.000 0.493 97 R N -0.265 120.351 120.500 0.194 0.000 2.491 97 R HA 0.452 4.793 4.340 0.001 0.000 0.283 97 R C -1.360 175.019 176.300 0.132 0.000 1.072 97 R CA 0.033 56.201 56.100 0.113 0.000 1.048 97 R CB 0.200 30.494 30.300 -0.011 0.000 0.983 97 R HN 0.503 nan 8.270 nan 0.000 0.450 98 L N 1.653 122.973 121.223 0.161 0.000 2.445 98 L HA 0.395 4.735 4.340 0.001 0.000 0.262 98 L C -0.916 176.035 176.870 0.135 0.000 0.974 98 L CA -0.846 54.127 54.840 0.222 0.000 0.822 98 L CB 1.996 44.344 42.059 0.481 0.000 1.339 98 L HN 0.608 nan 8.230 nan 0.000 0.409 99 Q N 1.787 121.652 119.800 0.109 0.000 2.271 99 Q HA 0.742 5.082 4.340 0.001 0.000 0.268 99 Q C -1.374 174.657 176.000 0.051 0.000 1.021 99 Q CA -0.886 54.950 55.803 0.054 0.000 0.802 99 Q CB 2.708 31.445 28.738 -0.001 0.000 1.282 99 Q HN 0.534 nan 8.270 nan 0.000 0.431 100 L N 3.360 124.582 121.223 -0.001 0.000 2.289 100 L HA 0.560 4.900 4.340 0.001 0.000 0.285 100 L C -1.204 175.499 176.870 -0.278 0.000 1.049 100 L CA -0.514 54.281 54.840 -0.075 0.000 0.804 100 L CB 0.883 42.908 42.059 -0.057 0.000 1.195 100 L HN 0.708 nan 8.230 nan 0.000 0.428 101 I N 4.279 124.712 120.570 -0.228 0.000 2.577 101 I HA 0.400 4.570 4.170 0.001 0.000 0.300 101 I C 0.103 176.033 176.117 -0.313 0.000 0.990 101 I CA -0.343 60.810 61.300 -0.244 0.000 1.283 101 I CB 1.080 39.039 38.000 -0.069 0.000 1.411 101 I HN 0.636 nan 8.210 nan 0.000 0.515 102 H N 3.323 122.411 119.070 0.031 0.000 2.797 102 H HA 0.336 4.892 4.556 0.001 0.000 0.372 102 H C 0.244 175.585 175.328 0.023 0.000 1.168 102 H CA -0.688 55.376 56.048 0.026 0.000 1.163 102 H CB 2.166 31.942 29.762 0.022 0.000 1.778 102 H HN 0.436 nan 8.280 nan 0.000 0.551 103 K N 0.306 120.803 120.400 0.162 0.000 2.366 103 K HA -0.011 4.309 4.320 0.001 0.000 0.198 103 K C -0.399 176.245 176.600 0.074 0.000 1.044 103 K CA 0.563 56.904 56.287 0.090 0.000 0.973 103 K CB 0.416 32.956 32.500 0.066 0.000 0.767 103 K HN 0.546 nan 8.250 nan 0.000 0.475 104 D N 0.554 121.006 120.400 0.087 0.000 2.268 104 D HA 0.030 4.670 4.640 0.001 0.000 0.249 104 D C -0.411 175.934 176.300 0.076 0.000 1.008 104 D CA -0.446 53.585 54.000 0.052 0.000 0.939 104 D CB 1.220 42.024 40.800 0.006 0.000 1.170 104 D HN -0.022 nan 8.370 nan 0.000 0.468 105 T N -1.032 113.552 114.554 0.050 0.000 2.695 105 T HA 0.419 4.769 4.350 0.001 0.000 0.264 105 T C 0.598 175.345 174.700 0.079 0.000 0.993 105 T CA -0.466 61.667 62.100 0.055 0.000 1.248 105 T CB -0.402 68.486 68.868 0.033 0.000 0.946 105 T HN 0.732 nan 8.240 nan 0.000 0.526 106 G N 2.616 111.490 108.800 0.124 0.000 2.238 106 G HA2 0.406 4.367 3.960 0.001 0.000 0.276 106 G HA3 0.406 4.367 3.960 0.001 0.000 0.276 106 G C -1.279 173.755 174.900 0.224 0.000 1.744 106 G CA -1.241 43.972 45.100 0.188 0.000 0.912 106 G HN 0.788 nan 8.290 nan 0.000 0.744 107 L N 3.410 124.691 121.223 0.096 0.000 2.529 107 L HA 0.448 4.789 4.340 0.001 0.000 0.258 107 L C 0.093 176.956 176.870 -0.011 0.000 1.032 107 L CA -0.707 54.112 54.840 -0.035 0.000 0.899 107 L CB 1.330 43.370 42.059 -0.032 0.000 1.174 107 L HN 0.474 nan 8.230 nan 0.000 0.458 108 I N 1.391 121.956 120.570 -0.009 0.000 2.395 108 I HA 0.319 4.489 4.170 0.001 0.000 0.289 108 I C 0.201 176.328 176.117 0.016 0.000 1.023 108 I CA -0.266 61.058 61.300 0.039 0.000 1.350 108 I CB 1.107 39.170 38.000 0.105 0.000 1.409 108 I HN 0.537 nan 8.210 nan 0.000 0.507 109 K N 6.345 126.759 120.400 0.023 0.000 2.367 109 K HA 0.254 4.574 4.320 0.001 0.000 0.263 109 K C -0.595 176.028 176.600 0.038 0.000 1.000 109 K CA -0.436 55.867 56.287 0.026 0.000 0.891 109 K CB 1.016 33.522 32.500 0.010 0.000 1.117 109 K HN 0.597 nan 8.250 nan 0.000 0.443 110 E N 4.710 124.944 120.200 0.057 0.000 1.986 110 E HA 0.005 4.355 4.350 0.001 0.000 0.264 110 E C -0.117 176.527 176.600 0.073 0.000 1.023 110 E CA -0.321 56.114 56.400 0.059 0.000 0.834 110 E CB 0.740 30.479 29.700 0.066 0.000 1.111 110 E HN 0.680 nan 8.360 nan 0.000 0.417 111 D N 2.319 122.749 120.400 0.050 0.000 2.321 111 D HA -0.204 4.437 4.640 0.001 0.000 0.194 111 D C 0.189 176.539 176.300 0.084 0.000 1.013 111 D CA 1.645 55.674 54.000 0.049 0.000 0.863 111 D CB 0.316 41.124 40.800 0.013 0.000 1.011 111 D HN 0.439 nan 8.370 nan 0.000 0.457 112 E N -0.216 120.018 120.200 0.056 0.000 2.207 112 E HA 0.528 4.879 4.350 0.001 0.000 0.270 112 E C -0.557 176.112 176.600 0.116 0.000 0.927 112 E CA -0.758 55.693 56.400 0.085 0.000 0.799 112 E CB 2.887 32.530 29.700 -0.094 0.000 1.172 112 E HN -0.136 nan 8.360 nan 0.000 0.404 113 V N 2.659 122.699 119.914 0.211 0.000 2.568 113 V HA 0.144 4.265 4.120 0.001 0.000 0.276 113 V C -0.686 175.573 176.094 0.276 0.000 1.002 113 V CA -0.833 61.578 62.300 0.185 0.000 0.879 113 V CB 0.515 32.425 31.823 0.147 0.000 1.040 113 V HN 0.665 nan 8.190 nan 0.000 0.457 114 F N 7.365 127.426 119.950 0.186 0.000 2.541 114 F HA 0.662 5.189 4.527 0.001 0.000 0.347 114 F C -0.566 175.268 175.800 0.056 0.000 1.242 114 F CA -0.569 57.553 58.000 0.204 0.000 1.123 114 F CB 0.232 39.383 39.000 0.251 0.000 1.354 114 F HN 0.363 nan 8.300 nan 0.000 0.621 115 L N 4.363 125.523 121.223 -0.105 0.000 2.313 115 L HA 0.905 5.245 4.340 0.001 0.000 0.283 115 L C 0.116 176.958 176.870 -0.047 0.000 1.013 115 L CA -1.310 53.393 54.840 -0.228 0.000 0.816 115 L CB 0.790 42.786 42.059 -0.104 0.000 1.236 115 L HN 0.822 nan 8.230 nan 0.000 0.419 116 G N 1.192 109.941 108.800 -0.086 0.000 3.445 116 G HA2 -0.160 3.800 3.960 0.001 0.000 0.680 116 G HA3 -0.160 3.800 3.960 0.001 0.000 0.680 116 G C -0.851 174.198 174.900 0.248 0.000 0.972 116 G CA -0.732 44.430 45.100 0.104 0.000 0.798 116 G HN 0.897 nan 8.290 nan 0.000 0.461 117 H N 1.634 120.870 119.070 0.277 0.000 2.661 117 H HA 0.467 5.024 4.556 0.001 0.000 0.290 117 H C 0.905 176.258 175.328 0.042 0.000 1.082 117 H CA -0.335 55.836 56.048 0.204 0.000 1.234 117 H CB 0.613 30.515 29.762 0.232 0.000 1.387 117 H HN 0.799 nan 8.280 nan 0.000 0.476 118 I N 2.127 122.777 120.570 0.133 0.000 2.385 118 I HA 0.458 4.628 4.170 0.001 0.000 0.294 118 I C -2.681 173.334 176.117 -0.170 0.000 0.988 118 I CA -2.623 58.652 61.300 -0.041 0.000 1.265 118 I CB 1.128 39.158 38.000 0.050 0.000 1.388 118 I HN 0.156 nan 8.210 nan 0.000 0.480 119 P HA 0.221 nan 4.420 nan 0.000 0.268 119 P C -0.724 176.378 177.300 -0.329 0.000 1.208 119 P CA 0.098 62.980 63.100 -0.363 0.000 0.777 119 P CB 0.508 31.970 31.700 -0.396 0.000 0.875 120 L N 1.343 122.226 121.223 -0.566 0.000 2.335 120 L HA 0.598 4.938 4.340 0.001 0.000 0.268 120 L C 0.430 176.838 176.870 -0.770 0.000 1.016 120 L CA -1.030 53.480 54.840 -0.550 0.000 0.805 120 L CB 1.004 42.598 42.059 -0.775 0.000 1.311 120 L HN 0.318 nan 8.230 nan 0.000 0.456 121 M N 0.077 119.411 119.600 -0.443 0.000 2.336 121 M HA 0.369 4.849 4.480 0.001 0.000 0.342 121 M C -0.551 175.670 176.300 -0.132 0.000 1.128 121 M CA -0.322 54.734 55.300 -0.407 0.000 1.016 121 M CB 1.695 34.268 32.600 -0.046 0.000 1.665 121 M HN 0.560 nan 8.290 nan 0.000 0.445 122 T N 2.599 117.138 114.554 -0.025 0.000 2.860 122 T HA 0.050 4.400 4.350 0.001 0.000 0.299 122 T C 1.024 175.746 174.700 0.036 0.000 1.045 122 T CA -0.355 61.771 62.100 0.044 0.000 1.071 122 T CB 0.753 69.657 68.868 0.060 0.000 0.985 122 T HN 0.757 nan 8.240 nan 0.000 0.537 123 E N 0.700 120.918 120.200 0.029 0.000 2.171 123 E HA -0.215 4.135 4.350 0.001 0.000 0.197 123 E C 1.567 178.175 176.600 0.013 0.000 0.997 123 E CA 1.671 58.082 56.400 0.018 0.000 0.810 123 E CB -0.025 29.680 29.700 0.007 0.000 0.738 123 E HN 0.747 nan 8.360 nan 0.000 0.467 124 D N -1.819 118.588 120.400 0.012 0.000 2.162 124 D HA -0.030 4.611 4.640 0.001 0.000 0.203 124 D C 1.416 177.732 176.300 0.026 0.000 0.967 124 D CA 1.139 55.143 54.000 0.006 0.000 0.840 124 D CB 0.035 40.833 40.800 -0.003 0.000 0.972 124 D HN 0.233 nan 8.370 nan 0.000 0.482 125 G N -0.545 108.289 108.800 0.058 0.000 2.485 125 G HA2 -0.142 3.818 3.960 0.001 0.000 0.181 125 G HA3 -0.142 3.818 3.960 0.001 0.000 0.181 125 G C 0.357 175.350 174.900 0.155 0.000 0.999 125 G CA 0.106 45.260 45.100 0.089 0.000 0.721 125 G HN 0.706 nan 8.290 nan 0.000 0.486 126 S N -0.141 115.648 115.700 0.148 0.000 2.693 126 S HA 0.863 5.333 4.470 0.001 0.000 0.276 126 S C 0.068 174.911 174.600 0.404 0.000 1.192 126 S CA -0.672 57.650 58.200 0.204 0.000 0.994 126 S CB 1.735 64.985 63.200 0.084 0.000 1.012 126 S HN 0.267 nan 8.310 nan 0.000 0.550 127 F N -0.627 119.311 119.950 -0.021 0.000 2.611 127 F HA 0.620 5.147 4.527 0.001 0.000 0.374 127 F C 0.087 175.894 175.800 0.013 0.000 1.110 127 F CA -1.503 56.502 58.000 0.008 0.000 1.090 127 F CB 1.359 40.379 39.000 0.033 0.000 1.388 127 F HN 0.390 nan 8.300 nan 0.000 0.501 128 I N 1.665 122.399 120.570 0.273 0.000 2.641 128 I HA 0.124 4.294 4.170 0.001 0.000 0.275 128 I C -0.348 175.865 176.117 0.162 0.000 1.129 128 I CA -0.147 61.248 61.300 0.158 0.000 1.094 128 I CB 1.191 39.284 38.000 0.156 0.000 1.232 128 I HN 0.496 nan 8.210 nan 0.000 0.503 129 I N 3.422 124.079 120.570 0.146 0.000 2.404 129 I HA 0.035 4.206 4.170 0.001 0.000 0.231 129 I C 0.815 176.989 176.117 0.094 0.000 1.064 129 I CA 1.233 62.622 61.300 0.148 0.000 1.383 129 I CB 0.010 38.116 38.000 0.176 0.000 1.171 129 I HN 0.430 nan 8.210 nan 0.000 0.422 130 N N 0.040 118.782 118.700 0.071 0.000 2.617 130 N HA 0.388 5.128 4.740 0.001 0.000 0.263 130 N C 0.474 176.011 175.510 0.045 0.000 1.074 130 N CA 0.639 53.726 53.050 0.062 0.000 0.841 130 N CB 1.573 40.106 38.487 0.078 0.000 1.221 130 N HN 0.463 nan 8.380 nan 0.000 0.529 131 G N 1.719 110.533 108.800 0.024 0.000 2.562 131 G HA2 -0.286 3.675 3.960 0.001 0.000 0.241 131 G HA3 -0.286 3.675 3.960 0.001 0.000 0.241 131 G C 0.217 175.088 174.900 -0.049 0.000 1.120 131 G CA 0.553 45.662 45.100 0.015 0.000 0.673 131 G HN 0.868 nan 8.290 nan 0.000 0.519 132 A N 0.370 123.111 122.820 -0.132 0.000 2.337 132 A HA 0.647 4.968 4.320 0.001 0.000 0.329 132 A C -0.479 176.902 177.584 -0.338 0.000 1.146 132 A CA -0.009 51.791 52.037 -0.395 0.000 0.800 132 A CB 0.873 19.262 19.000 -1.019 0.000 1.220 132 A HN 0.266 nan 8.150 nan 0.000 0.472 133 D N 1.618 121.828 120.400 -0.316 0.000 2.458 133 D HA 0.344 4.984 4.640 0.001 0.000 0.243 133 D C 0.373 176.549 176.300 -0.206 0.000 1.146 133 D CA 0.887 54.781 54.000 -0.176 0.000 0.877 133 D CB 0.421 41.137 40.800 -0.140 0.000 1.176 133 D HN 0.465 nan 8.370 nan 0.000 0.461 134 R N 0.818 121.280 120.500 -0.062 0.000 2.888 134 R HA 0.788 5.128 4.340 0.001 0.000 0.266 134 R C -1.138 175.106 176.300 -0.093 0.000 1.020 134 R CA -1.198 54.855 56.100 -0.077 0.000 0.963 134 R CB 1.745 32.014 30.300 -0.052 0.000 1.197 134 R HN 0.167 nan 8.270 nan 0.000 0.481 135 V N 1.753 121.608 119.914 -0.098 0.000 2.789 135 V HA 0.426 4.546 4.120 0.001 0.000 0.311 135 V C -0.388 175.544 176.094 -0.271 0.000 1.073 135 V CA -0.946 61.260 62.300 -0.157 0.000 0.921 135 V CB 2.330 34.193 31.823 0.067 0.000 1.009 135 V HN 0.565 nan 8.190 nan 0.000 0.426 136 I N 4.891 125.223 120.570 -0.397 0.000 2.306 136 I HA 0.273 4.444 4.170 0.001 0.000 0.288 136 I C 0.234 176.211 176.117 -0.234 0.000 1.036 136 I CA -0.207 60.878 61.300 -0.359 0.000 1.221 136 I CB 1.463 39.197 38.000 -0.444 0.000 1.385 136 I HN 0.564 nan 8.210 nan 0.000 0.472 137 V N 3.875 123.668 119.914 -0.202 0.000 2.686 137 V HA 0.415 4.536 4.120 0.001 0.000 0.295 137 V C 0.863 176.887 176.094 -0.117 0.000 1.055 137 V CA -0.582 61.620 62.300 -0.164 0.000 1.050 137 V CB 0.856 32.572 31.823 -0.179 0.000 0.984 137 V HN 0.700 nan 8.190 nan 0.000 0.482 138 S N 2.782 118.427 115.700 -0.091 0.000 2.596 138 S HA 0.386 4.857 4.470 0.001 0.000 0.260 138 S C -0.158 174.412 174.600 -0.049 0.000 1.336 138 S CA -0.350 57.812 58.200 -0.062 0.000 0.993 138 S CB 0.884 64.056 63.200 -0.048 0.000 0.923 138 S HN 0.954 nan 8.310 nan 0.000 0.567 139 Q N -0.497 119.283 119.800 -0.034 0.000 2.605 139 Q HA 0.698 5.038 4.340 0.001 0.000 0.296 139 Q C -1.850 174.169 176.000 0.031 0.000 1.056 139 Q CA -0.867 54.925 55.803 -0.019 0.000 0.778 139 Q CB 1.343 30.047 28.738 -0.056 0.000 1.497 139 Q HN 0.662 nan 8.270 nan 0.000 0.443 140 I N -1.109 119.502 120.570 0.068 0.000 2.730 140 I HA 0.702 4.872 4.170 0.001 0.000 0.298 140 I C -1.122 175.134 176.117 0.233 0.000 1.089 140 I CA -0.299 61.086 61.300 0.142 0.000 1.041 140 I CB 1.997 40.059 38.000 0.103 0.000 1.235 140 I HN 0.783 nan 8.210 nan 0.000 0.423 141 H N 1.107 120.187 119.070 0.017 0.000 3.003 141 H HA 0.575 5.131 4.556 0.001 0.000 0.327 141 H C -1.113 174.240 175.328 0.042 0.000 1.353 141 H CA -1.357 54.711 56.048 0.033 0.000 1.142 141 H CB 0.914 30.693 29.762 0.029 0.000 1.864 141 H HN 0.502 nan 8.280 nan 0.000 0.529 142 R N 2.015 122.542 120.500 0.046 0.000 2.513 142 R HA 0.007 4.348 4.340 0.001 0.000 0.333 142 R C -0.079 176.106 176.300 -0.191 0.000 0.925 142 R CA 0.591 56.654 56.100 -0.063 0.000 1.072 142 R CB 0.018 30.340 30.300 0.037 0.000 0.914 142 R HN 0.769 nan 8.270 nan 0.000 0.408 143 S N 3.949 119.575 115.700 -0.122 0.000 2.811 143 S HA 0.025 4.496 4.470 0.001 0.000 0.325 143 S C -2.142 172.506 174.600 0.081 0.000 1.224 143 S CA -1.123 57.026 58.200 -0.086 0.000 1.125 143 S CB 0.171 63.592 63.200 0.368 0.000 0.867 143 S HN 0.297 nan 8.310 nan 0.000 0.512 144 P HA 0.056 nan 4.420 nan 0.000 0.220 144 P C 0.617 177.974 177.300 0.096 0.000 1.000 144 P CA 1.148 64.267 63.100 0.031 0.000 1.063 144 P CB -0.644 31.060 31.700 0.006 0.000 1.023 145 G N 1.003 109.832 108.800 0.048 0.000 2.815 145 G HA2 0.576 4.536 3.960 0.001 0.000 0.305 145 G HA3 0.576 4.536 3.960 0.001 0.000 0.305 145 G C -1.592 172.973 174.900 -0.558 0.000 1.277 145 G CA -0.457 44.512 45.100 -0.219 0.000 0.795 145 G HN 0.141 nan 8.290 nan 0.000 0.528 146 V N 0.245 119.531 119.914 -1.046 0.000 2.588 146 V HA 0.712 4.832 4.120 0.001 0.000 0.304 146 V C -1.401 173.846 176.094 -1.410 0.000 1.042 146 V CA -0.582 61.159 62.300 -0.931 0.000 0.877 146 V CB 1.064 32.552 31.823 -0.558 0.000 0.996 146 V HN 0.652 nan 8.190 nan 0.000 0.425 147 Y N 2.962 123.022 120.300 -0.399 0.000 2.581 147 Y HA 0.755 5.306 4.550 0.001 0.000 0.345 147 Y C -0.812 174.800 175.900 -0.481 0.000 1.036 147 Y CA -1.206 56.605 58.100 -0.480 0.000 1.042 147 Y CB 1.899 40.269 38.460 -0.150 0.000 1.289 147 Y HN 0.528 nan 8.280 nan 0.000 0.471 148 F N 0.287 120.342 119.950 0.175 0.000 2.375 148 F HA 0.621 5.148 4.527 0.001 0.000 0.361 148 F C 0.140 175.963 175.800 0.038 0.000 1.117 148 F CA -0.905 57.153 58.000 0.097 0.000 1.037 148 F CB 1.450 40.474 39.000 0.040 0.000 1.192 148 F HN 0.294 nan 8.300 nan 0.000 0.452 149 T N 3.238 117.929 114.554 0.227 0.000 2.912 149 T HA 0.562 4.913 4.350 0.001 0.000 0.288 149 T C -2.740 172.071 174.700 0.185 0.000 1.030 149 T CA -2.413 59.775 62.100 0.146 0.000 1.020 149 T CB 1.500 70.442 68.868 0.123 0.000 1.056 149 T HN 0.182 nan 8.240 nan 0.000 0.480 150 P HA 0.066 nan 4.420 nan 0.000 0.266 150 P C -0.573 176.845 177.300 0.196 0.000 1.193 150 P CA -0.164 63.097 63.100 0.269 0.000 0.770 150 P CB 0.355 32.179 31.700 0.206 0.000 0.836 151 D N 3.429 123.940 120.400 0.184 0.000 2.424 151 D HA 0.028 4.668 4.640 0.001 0.000 0.244 151 D C -1.322 175.027 176.300 0.082 0.000 1.134 151 D CA -1.411 52.656 54.000 0.112 0.000 0.881 151 D CB 0.422 41.267 40.800 0.075 0.000 1.191 151 D HN 0.152 nan 8.370 nan 0.000 0.445 152 P HA -0.209 nan 4.420 nan 0.000 0.212 152 P C 0.630 177.953 177.300 0.039 0.000 0.886 152 P CA 2.116 65.243 63.100 0.045 0.000 1.017 152 P CB 0.092 31.811 31.700 0.032 0.000 0.686 153 A N -1.056 121.780 122.820 0.028 0.000 1.844 153 A HA -0.048 4.273 4.320 0.001 0.000 0.212 153 A C 1.382 178.979 177.584 0.020 0.000 1.221 153 A CA 0.365 52.415 52.037 0.022 0.000 0.607 153 A CB -0.974 18.034 19.000 0.014 0.000 0.878 153 A HN 0.079 nan 8.150 nan 0.000 0.451 154 R N 0.845 121.355 120.500 0.016 0.000 2.488 154 R HA 0.024 4.365 4.340 0.001 0.000 0.317 154 R C -1.946 174.360 176.300 0.010 0.000 0.941 154 R CA -0.743 55.362 56.100 0.008 0.000 1.076 154 R CB 0.253 30.553 30.300 0.001 0.000 0.917 154 R HN 0.196 nan 8.270 nan 0.000 0.407 155 P HA -0.071 nan 4.420 nan 0.000 0.228 155 P C 0.858 178.150 177.300 -0.013 0.000 1.151 155 P CA 0.927 64.033 63.100 0.009 0.000 0.770 155 P CB 0.204 31.907 31.700 0.006 0.000 0.786 156 G N 0.587 109.367 108.800 -0.033 0.000 2.509 156 G HA2 -0.212 3.748 3.960 0.001 0.000 0.180 156 G HA3 -0.212 3.748 3.960 0.001 0.000 0.180 156 G C 0.489 175.299 174.900 -0.151 0.000 1.446 156 G CA 0.244 45.298 45.100 -0.076 0.000 0.888 156 G HN 0.285 nan 8.290 nan 0.000 0.536 157 R N -0.888 119.503 120.500 -0.183 0.000 2.758 157 R HA 0.495 4.835 4.340 0.001 0.000 0.265 157 R C -0.682 175.503 176.300 -0.191 0.000 1.016 157 R CA -0.821 55.064 56.100 -0.359 0.000 1.040 157 R CB 0.939 31.068 30.300 -0.285 0.000 1.152 157 R HN 0.482 nan 8.270 nan 0.000 0.503 158 Y N 1.427 121.753 120.300 0.043 0.000 2.392 158 Y HA 0.463 5.014 4.550 0.001 0.000 0.323 158 Y C 0.519 176.476 175.900 0.095 0.000 1.291 158 Y CA -1.127 57.018 58.100 0.074 0.000 1.345 158 Y CB 0.414 38.931 38.460 0.096 0.000 1.320 158 Y HN 0.406 nan 8.280 nan 0.000 0.518 159 I N -0.673 120.079 120.570 0.304 0.000 2.740 159 I HA 0.955 5.125 4.170 0.001 0.000 0.303 159 I C -0.709 175.558 176.117 0.251 0.000 1.044 159 I CA -1.483 59.954 61.300 0.228 0.000 1.064 159 I CB 2.117 40.210 38.000 0.156 0.000 1.249 159 I HN 0.710 nan 8.210 nan 0.000 0.433 160 A N 3.088 126.041 122.820 0.221 0.000 2.282 160 A HA 0.798 5.118 4.320 0.001 0.000 0.319 160 A C -0.277 177.366 177.584 0.097 0.000 1.121 160 A CA -0.526 51.613 52.037 0.170 0.000 0.836 160 A CB 1.338 20.448 19.000 0.185 0.000 1.146 160 A HN 0.760 nan 8.150 nan 0.000 0.494 161 S N 0.323 116.042 115.700 0.032 0.000 2.572 161 S HA 0.573 5.043 4.470 0.001 0.000 0.274 161 S C -1.211 173.395 174.600 0.009 0.000 1.150 161 S CA -0.472 57.782 58.200 0.090 0.000 0.944 161 S CB 0.462 63.777 63.200 0.192 0.000 1.071 161 S HN 0.527 nan 8.310 nan 0.000 0.479 162 I N 5.306 125.893 120.570 0.027 0.000 2.328 162 I HA 0.418 4.588 4.170 0.001 0.000 0.287 162 I C -0.310 175.760 176.117 -0.079 0.000 1.012 162 I CA -0.789 60.468 61.300 -0.073 0.000 1.195 162 I CB 1.192 39.131 38.000 -0.101 0.000 1.350 162 I HN 0.603 nan 8.210 nan 0.000 0.464 163 I N 7.263 127.757 120.570 -0.127 0.000 2.328 163 I HA 0.613 4.784 4.170 0.001 0.000 0.287 163 I C -2.836 173.061 176.117 -0.366 0.000 1.012 163 I CA -1.910 59.188 61.300 -0.337 0.000 1.195 163 I CB 1.207 39.198 38.000 -0.015 0.000 1.350 163 I HN 0.205 nan 8.210 nan 0.000 0.464 164 P HA 0.463 nan 4.420 nan 0.000 0.301 164 P C -1.369 175.671 177.300 -0.434 0.000 1.420 164 P CA -0.469 62.404 63.100 -0.380 0.000 1.006 164 P CB 1.709 33.248 31.700 -0.268 0.000 0.982 165 L N 6.249 127.287 121.223 -0.308 0.000 2.334 165 L HA 0.722 5.062 4.340 0.001 0.000 0.273 165 L C -2.358 174.390 176.870 -0.204 0.000 1.013 165 L CA -2.574 52.131 54.840 -0.225 0.000 0.816 165 L CB 0.693 42.710 42.059 -0.069 0.000 1.278 165 L HN 0.220 nan 8.230 nan 0.000 0.431 166 P HA -0.061 nan 4.420 nan 0.000 0.271 166 P C 0.228 177.464 177.300 -0.107 0.000 1.197 166 P CA 0.156 63.184 63.100 -0.119 0.000 0.777 166 P CB 0.435 32.069 31.700 -0.110 0.000 0.827 167 K N 1.212 121.586 120.400 -0.043 0.000 2.001 167 K HA -0.155 4.166 4.320 0.001 0.000 0.214 167 K C 0.657 177.276 176.600 0.032 0.000 1.050 167 K CA 1.313 57.619 56.287 0.032 0.000 0.934 167 K CB -0.065 32.475 32.500 0.067 0.000 0.718 167 K HN 0.344 nan 8.250 nan 0.000 0.443 168 R N 0.341 120.845 120.500 0.006 0.000 2.458 168 R HA 0.067 4.407 4.340 0.001 0.000 0.303 168 R C -0.396 175.889 176.300 -0.025 0.000 1.013 168 R CA 0.759 56.863 56.100 0.007 0.000 1.026 168 R CB 0.460 30.753 30.300 -0.012 0.000 0.948 168 R HN 0.562 nan 8.270 nan 0.000 0.417 169 G N 5.011 113.817 108.800 0.010 0.000 2.897 169 G HA2 -0.062 3.899 3.960 0.001 0.000 0.392 169 G HA3 -0.062 3.899 3.960 0.001 0.000 0.392 169 G C -2.721 172.188 174.900 0.015 0.000 1.263 169 G CA -1.283 43.808 45.100 -0.015 0.000 1.185 169 G HN 0.368 nan 8.290 nan 0.000 0.573 170 P HA 0.013 nan 4.420 nan 0.000 0.277 170 P C -0.295 177.075 177.300 0.116 0.000 1.237 170 P CA 0.259 63.438 63.100 0.131 0.000 0.819 170 P CB 0.439 32.222 31.700 0.139 0.000 0.841 171 W N 2.258 123.569 121.300 0.019 0.000 2.538 171 W HA 0.331 4.991 4.660 0.001 0.000 0.291 171 W C -1.419 175.104 176.519 0.006 0.000 1.020 171 W CA -0.431 56.923 57.345 0.015 0.000 1.375 171 W CB 0.323 29.794 29.460 0.019 0.000 1.247 171 W HN 0.135 nan 8.180 nan 0.000 0.377 172 I N 4.483 125.193 120.570 0.234 0.000 2.612 172 I HA 0.328 4.498 4.170 0.001 0.000 0.295 172 I C 0.211 176.414 176.117 0.144 0.000 1.011 172 I CA 0.307 61.686 61.300 0.132 0.000 1.326 172 I CB 0.939 38.943 38.000 0.007 0.000 1.427 172 I HN 0.112 nan 8.210 nan 0.000 0.537 173 D N 5.790 126.254 120.400 0.107 0.000 2.990 173 D HA 0.404 5.044 4.640 0.001 0.000 0.227 173 D C -1.083 175.274 176.300 0.096 0.000 1.249 173 D CA -0.326 53.736 54.000 0.102 0.000 0.891 173 D CB 1.994 42.851 40.800 0.095 0.000 1.647 173 D HN 0.244 nan 8.370 nan 0.000 0.530 174 L N 1.334 122.618 121.223 0.103 0.000 2.295 174 L HA 0.405 4.745 4.340 0.001 0.000 0.281 174 L C 0.012 176.955 176.870 0.121 0.000 1.018 174 L CA -0.391 54.517 54.840 0.113 0.000 0.841 174 L CB 1.511 43.645 42.059 0.125 0.000 1.218 174 L HN 0.343 nan 8.230 nan 0.000 0.424 175 E N 3.064 123.323 120.200 0.098 0.000 2.234 175 E HA 0.570 4.920 4.350 0.001 0.000 0.266 175 E C -1.270 175.364 176.600 0.056 0.000 0.877 175 E CA -0.830 55.618 56.400 0.079 0.000 0.758 175 E CB 2.315 32.055 29.700 0.067 0.000 1.170 175 E HN 0.347 nan 8.360 nan 0.000 0.415 176 V N 1.805 121.740 119.914 0.035 0.000 2.384 176 V HA 0.548 4.668 4.120 0.001 0.000 0.287 176 V C -0.351 175.735 176.094 -0.014 0.000 1.020 176 V CA -0.790 61.513 62.300 0.005 0.000 0.850 176 V CB 1.369 33.175 31.823 -0.029 0.000 0.987 176 V HN 0.728 nan 8.190 nan 0.000 0.436 177 E N 5.239 125.432 120.200 -0.011 0.000 3.167 177 E HA 0.466 4.816 4.350 0.001 0.000 0.212 177 E C -1.963 174.624 176.600 -0.022 0.000 1.143 177 E CA -2.100 54.291 56.400 -0.016 0.000 1.002 177 E CB 1.508 31.206 29.700 -0.004 0.000 1.315 177 E HN 0.514 nan 8.360 nan 0.000 0.422 178 P HA -0.300 nan 4.420 nan 0.000 0.223 178 P C 0.986 178.267 177.300 -0.031 0.000 1.153 178 P CA 0.967 64.040 63.100 -0.045 0.000 0.853 178 P CB 0.203 31.867 31.700 -0.060 0.000 0.777 179 N N -1.302 117.384 118.700 -0.023 0.000 2.430 179 N HA -0.113 4.627 4.740 0.001 0.000 0.186 179 N C 1.245 176.748 175.510 -0.011 0.000 1.032 179 N CA 1.778 54.818 53.050 -0.017 0.000 0.893 179 N CB -0.217 38.263 38.487 -0.012 0.000 0.957 179 N HN 0.252 nan 8.380 nan 0.000 0.442 180 G N -1.560 107.234 108.800 -0.010 0.000 4.611 180 G HA2 0.121 4.081 3.960 0.001 0.000 0.220 180 G HA3 0.121 4.081 3.960 0.001 0.000 0.220 180 G C -0.822 174.078 174.900 -0.001 0.000 0.717 180 G CA -0.143 44.955 45.100 -0.003 0.000 0.953 180 G HN 0.108 nan 8.290 nan 0.000 0.728 181 V N 0.416 120.328 119.914 -0.004 0.000 3.049 181 V HA 0.778 4.899 4.120 0.001 0.000 0.309 181 V C -0.456 175.637 176.094 -0.001 0.000 1.148 181 V CA -0.872 61.427 62.300 -0.001 0.000 0.990 181 V CB 2.285 34.111 31.823 0.005 0.000 1.039 181 V HN 0.118 nan 8.190 nan 0.000 0.430 182 V N 1.855 121.770 119.914 0.002 0.000 2.769 182 V HA 0.825 4.945 4.120 0.001 0.000 0.312 182 V C -0.151 175.955 176.094 0.021 0.000 1.061 182 V CA -0.481 61.827 62.300 0.014 0.000 0.931 182 V CB 2.174 34.011 31.823 0.024 0.000 1.010 182 V HN 1.038 nan 8.190 nan 0.000 0.433 183 S N 4.417 120.144 115.700 0.045 0.000 2.707 183 S HA 0.677 5.148 4.470 0.001 0.000 0.303 183 S C -0.929 173.730 174.600 0.098 0.000 1.132 183 S CA -0.601 57.639 58.200 0.066 0.000 1.046 183 S CB 1.321 64.557 63.200 0.059 0.000 1.004 183 S HN 0.752 nan 8.310 nan 0.000 0.483 184 M N 4.367 124.056 119.600 0.148 0.000 2.125 184 M HA 0.455 4.936 4.480 0.001 0.000 0.321 184 M C -1.532 174.910 176.300 0.238 0.000 0.983 184 M CA -0.315 55.107 55.300 0.203 0.000 0.934 184 M CB 1.234 34.001 32.600 0.277 0.000 1.542 184 M HN 0.743 nan 8.290 nan 0.000 0.424 185 K N 4.444 124.931 120.400 0.145 0.000 2.358 185 K HA 0.388 4.709 4.320 0.001 0.000 0.260 185 K C 0.634 177.281 176.600 0.078 0.000 0.956 185 K CA -0.655 55.693 56.287 0.101 0.000 0.834 185 K CB 2.197 34.739 32.500 0.070 0.000 1.102 185 K HN 0.587 nan 8.250 nan 0.000 0.431 186 V N 0.104 120.033 119.914 0.025 0.000 2.365 186 V HA -0.067 4.054 4.120 0.001 0.000 0.232 186 V C 1.405 177.524 176.094 0.042 0.000 1.065 186 V CA 0.778 63.087 62.300 0.015 0.000 1.054 186 V CB -0.434 31.329 31.823 -0.099 0.000 0.685 186 V HN 0.748 nan 8.190 nan 0.000 0.480 187 N N -1.119 117.577 118.700 -0.006 0.000 2.402 187 N HA 0.094 4.835 4.740 0.001 0.000 0.174 187 N C 1.425 176.936 175.510 0.002 0.000 1.027 187 N CA 1.158 54.217 53.050 0.016 0.000 0.891 187 N CB 0.702 39.185 38.487 -0.007 0.000 1.016 187 N HN 0.544 nan 8.380 nan 0.000 0.439 188 K N -0.829 119.566 120.400 -0.009 0.000 3.061 188 K HA 0.141 4.462 4.320 0.001 0.000 0.274 188 K C -0.467 176.138 176.600 0.007 0.000 2.613 188 K CA -0.474 55.810 56.287 -0.005 0.000 1.510 188 K CB 0.499 32.990 32.500 -0.014 0.000 2.856 188 K HN -0.220 nan 8.250 nan 0.000 0.406 189 R N 3.446 123.947 120.500 0.001 0.000 2.522 189 R HA 0.049 4.390 4.340 0.001 0.000 0.284 189 R C -0.868 175.468 176.300 0.060 0.000 1.032 189 R CA 0.470 56.583 56.100 0.022 0.000 1.049 189 R CB 0.216 30.523 30.300 0.011 0.000 0.956 189 R HN 0.071 nan 8.270 nan 0.000 0.422 190 K N 4.063 124.518 120.400 0.092 0.000 2.295 190 K HA 0.310 4.631 4.320 0.001 0.000 0.270 190 K C -0.150 176.590 176.600 0.233 0.000 1.011 190 K CA -0.120 56.263 56.287 0.160 0.000 0.953 190 K CB 0.243 32.806 32.500 0.105 0.000 0.956 190 K HN 0.449 nan 8.250 nan 0.000 0.477 191 F N -1.005 118.946 119.950 0.001 0.000 2.706 191 F HA 0.697 5.224 4.527 0.001 0.000 0.328 191 F C -2.966 172.834 175.800 0.000 0.000 1.123 191 F CA -3.429 54.562 58.000 -0.015 0.000 0.978 191 F CB 0.361 39.343 39.000 -0.029 0.000 1.404 191 F HN 0.268 nan 8.300 nan 0.000 0.497 192 P HA 0.196 nan 4.420 nan 0.000 0.267 192 P C 0.334 176.948 177.300 -1.143 0.000 1.209 192 P CA 0.104 62.838 63.100 -0.610 0.000 0.763 192 P CB 0.607 32.094 31.700 -0.355 0.000 0.816 193 L N 3.897 124.745 121.223 -0.625 0.000 2.465 193 L HA -0.096 4.245 4.340 0.001 0.000 0.224 193 L C 1.882 178.617 176.870 -0.225 0.000 1.145 193 L CA 1.268 55.840 54.840 -0.446 0.000 0.834 193 L CB -0.514 41.472 42.059 -0.122 0.000 0.944 193 L HN 0.230 nan 8.230 nan 0.000 0.451 194 V N -1.279 118.512 119.914 -0.205 0.000 2.685 194 V HA -0.104 4.017 4.120 0.001 0.000 0.244 194 V C 2.241 178.317 176.094 -0.029 0.000 1.054 194 V CA 0.805 63.072 62.300 -0.057 0.000 1.076 194 V CB -0.448 31.363 31.823 -0.020 0.000 0.725 194 V HN 0.412 nan 8.190 nan 0.000 0.467 195 L N 0.169 121.329 121.223 -0.104 0.000 2.129 195 L HA -0.152 4.189 4.340 0.001 0.000 0.212 195 L C 2.074 179.004 176.870 0.100 0.000 1.087 195 L CA 2.018 56.858 54.840 -0.000 0.000 0.757 195 L CB -0.584 41.467 42.059 -0.015 0.000 0.896 195 L HN 0.267 nan 8.230 nan 0.000 0.434 196 L N -1.455 119.859 121.223 0.151 0.000 2.127 196 L HA -0.002 4.339 4.340 0.001 0.000 0.203 196 L C 2.324 179.242 176.870 0.079 0.000 1.080 196 L CA 0.796 55.739 54.840 0.170 0.000 0.768 196 L CB -0.151 42.110 42.059 0.337 0.000 0.924 196 L HN 0.286 nan 8.230 nan 0.000 0.444 197 L N -0.866 120.445 121.223 0.146 0.000 2.083 197 L HA -0.182 4.158 4.340 0.001 0.000 0.209 197 L C 2.681 179.641 176.870 0.150 0.000 1.083 197 L CA 0.992 55.974 54.840 0.237 0.000 0.752 197 L CB -0.821 41.435 42.059 0.329 0.000 0.899 197 L HN 0.246 nan 8.230 nan 0.000 0.433 198 R N -0.064 120.503 120.500 0.111 0.000 2.120 198 R HA -0.094 4.246 4.340 0.001 0.000 0.234 198 R C 2.279 178.605 176.300 0.042 0.000 1.123 198 R CA 1.001 57.150 56.100 0.082 0.000 0.975 198 R CB -0.571 29.779 30.300 0.084 0.000 0.866 198 R HN 0.253 nan 8.270 nan 0.000 0.446 199 V N 1.560 121.493 119.914 0.031 0.000 2.295 199 V HA -0.231 3.890 4.120 0.001 0.000 0.246 199 V C 2.319 178.404 176.094 -0.015 0.000 1.049 199 V CA 1.669 63.975 62.300 0.009 0.000 1.024 199 V CB -0.340 31.475 31.823 -0.014 0.000 0.648 199 V HN 0.208 nan 8.190 nan 0.000 0.447 200 L N -0.278 120.907 121.223 -0.063 0.000 2.217 200 L HA 0.193 4.533 4.340 0.001 0.000 0.211 200 L C 1.790 178.547 176.870 -0.189 0.000 1.107 200 L CA 1.463 56.236 54.840 -0.111 0.000 0.783 200 L CB -0.233 41.717 42.059 -0.183 0.000 0.919 200 L HN 0.540 nan 8.230 nan 0.000 0.442 201 G N -3.075 105.614 108.800 -0.185 0.000 2.613 201 G HA2 -0.182 3.779 3.960 0.001 0.000 0.199 201 G HA3 -0.182 3.779 3.960 0.001 0.000 0.199 201 G C -0.334 174.510 174.900 -0.093 0.000 0.991 201 G CA -0.760 44.247 45.100 -0.154 0.000 0.756 201 G HN 0.013 nan 8.290 nan 0.000 0.515 202 Y N 3.279 123.603 120.300 0.039 0.000 2.486 202 Y HA 0.455 5.006 4.550 0.001 0.000 0.348 202 Y C 0.739 176.656 175.900 0.029 0.000 1.000 202 Y CA -1.009 57.110 58.100 0.032 0.000 1.253 202 Y CB 0.337 38.816 38.460 0.031 0.000 1.140 202 Y HN 0.405 nan 8.280 nan 0.000 0.526 203 D N 0.346 120.858 120.400 0.186 0.000 2.294 203 D HA 0.144 4.785 4.640 0.001 0.000 0.250 203 D C 0.712 177.067 176.300 0.092 0.000 1.058 203 D CA -0.576 53.492 54.000 0.114 0.000 0.950 203 D CB 0.885 41.734 40.800 0.083 0.000 1.158 203 D HN 0.519 nan 8.370 nan 0.000 0.453 204 Q N 0.418 120.260 119.800 0.070 0.000 2.029 204 Q HA -0.335 4.006 4.340 0.001 0.000 0.209 204 Q C 1.752 177.775 176.000 0.038 0.000 0.999 204 Q CA 2.503 58.337 55.803 0.051 0.000 0.857 204 Q CB -0.399 28.366 28.738 0.046 0.000 0.926 204 Q HN 0.814 nan 8.270 nan 0.000 0.415 205 E N 0.415 120.638 120.200 0.038 0.000 2.005 205 E HA -0.210 4.140 4.350 0.001 0.000 0.198 205 E C 2.038 178.654 176.600 0.027 0.000 1.010 205 E CA 1.945 58.363 56.400 0.029 0.000 0.825 205 E CB -0.999 28.719 29.700 0.030 0.000 0.769 205 E HN 0.183 nan 8.360 nan 0.000 0.456 206 T N -0.202 114.375 114.554 0.039 0.000 2.684 206 T HA -0.152 4.199 4.350 0.001 0.000 0.267 206 T C 1.825 176.529 174.700 0.006 0.000 1.036 206 T CA 1.582 63.704 62.100 0.036 0.000 1.148 206 T CB -0.477 68.433 68.868 0.069 0.000 0.863 206 T HN 0.264 nan 8.240 nan 0.000 0.436 207 L N 0.373 121.597 121.223 0.002 0.000 1.978 207 L HA -0.168 4.172 4.340 0.001 0.000 0.218 207 L C 2.933 179.753 176.870 -0.083 0.000 1.075 207 L CA 1.966 56.763 54.840 -0.073 0.000 0.767 207 L CB -0.719 41.319 42.059 -0.035 0.000 0.890 207 L HN 0.422 nan 8.230 nan 0.000 0.434 208 A N -0.415 122.385 122.820 -0.034 0.000 1.858 208 A HA -0.259 4.062 4.320 0.001 0.000 0.216 208 A C 2.261 179.827 177.584 -0.031 0.000 1.190 208 A CA 1.961 53.986 52.037 -0.020 0.000 0.617 208 A CB -0.553 18.452 19.000 0.008 0.000 0.827 208 A HN 0.405 nan 8.150 nan 0.000 0.443 209 R N -0.509 119.981 120.500 -0.018 0.000 2.189 209 R HA -0.006 4.335 4.340 0.001 0.000 0.218 209 R C 1.904 178.197 176.300 -0.012 0.000 1.074 209 R CA 1.298 57.391 56.100 -0.012 0.000 0.991 209 R CB -0.048 30.254 30.300 0.004 0.000 0.883 209 R HN 0.698 nan 8.270 nan 0.000 0.457 210 E N -0.166 120.022 120.200 -0.020 0.000 2.166 210 E HA -0.064 4.287 4.350 0.001 0.000 0.192 210 E C 1.738 178.344 176.600 0.009 0.000 0.967 210 E CA 0.526 56.929 56.400 0.005 0.000 0.840 210 E CB 0.165 29.863 29.700 -0.003 0.000 0.795 210 E HN 0.240 nan 8.360 nan 0.000 0.470 211 L N -0.882 120.286 121.223 -0.092 0.000 2.307 211 L HA 0.239 4.580 4.340 0.001 0.000 0.211 211 L C 1.615 178.230 176.870 -0.425 0.000 1.099 211 L CA 1.203 55.940 54.840 -0.171 0.000 0.816 211 L CB 0.357 42.222 42.059 -0.322 0.000 0.952 211 L HN 0.021 nan 8.230 nan 0.000 0.455 212 G N -1.363 107.266 108.800 -0.285 0.000 3.651 212 G HA2 0.317 4.277 3.960 0.001 0.000 0.279 212 G HA3 0.317 4.277 3.960 0.001 0.000 0.279 212 G C 1.239 175.987 174.900 -0.254 0.000 1.024 212 G CA 0.355 45.281 45.100 -0.291 0.000 0.813 212 G HN 0.439 nan 8.290 nan 0.000 0.518 213 A N 0.964 123.680 122.820 -0.174 0.000 1.908 213 A HA -0.067 4.253 4.320 0.001 0.000 0.218 213 A C 2.083 179.674 177.584 0.012 0.000 1.181 213 A CA 1.828 53.853 52.037 -0.021 0.000 0.627 213 A CB -0.629 18.421 19.000 0.084 0.000 0.818 213 A HN 0.717 nan 8.150 nan 0.000 0.445 214 Y N -1.567 118.761 120.300 0.047 0.000 2.395 214 Y HA 0.444 4.994 4.550 0.001 0.000 0.293 214 Y C 1.241 177.163 175.900 0.036 0.000 1.123 214 Y CA -0.287 57.835 58.100 0.036 0.000 1.227 214 Y CB -0.856 37.626 38.460 0.036 0.000 1.012 214 Y HN 0.227 nan 8.280 nan 0.000 0.552 215 G N 0.353 108.979 108.800 -0.290 0.000 2.932 215 G HA2 0.435 4.396 3.960 0.001 0.000 0.283 215 G HA3 0.435 4.396 3.960 0.001 0.000 0.283 215 G C -0.030 174.780 174.900 -0.151 0.000 1.336 215 G CA -0.193 44.807 45.100 -0.167 0.000 1.056 215 G HN 0.207 nan 8.290 nan 0.000 0.522 216 E N -0.670 119.420 120.200 -0.183 0.000 2.453 216 E HA 0.020 4.370 4.350 0.001 0.000 0.211 216 E C 2.032 178.496 176.600 -0.226 0.000 0.897 216 E CA 0.023 56.328 56.400 -0.157 0.000 1.063 216 E CB -0.306 29.317 29.700 -0.129 0.000 1.080 216 E HN 0.428 nan 8.360 nan 0.000 0.512 217 L N 1.188 122.121 121.223 -0.482 0.000 2.447 217 L HA -0.078 4.262 4.340 0.001 0.000 0.225 217 L C 2.414 179.092 176.870 -0.321 0.000 1.148 217 L CA 0.491 54.918 54.840 -0.689 0.000 0.808 217 L CB -0.658 40.454 42.059 -1.579 0.000 0.928 217 L HN -0.048 nan 8.230 nan 0.000 0.448 218 V N 0.023 119.943 119.914 0.011 0.000 2.546 218 V HA -0.338 3.782 4.120 0.001 0.000 0.254 218 V C 2.459 178.614 176.094 0.102 0.000 1.076 218 V CA 1.850 64.305 62.300 0.258 0.000 1.087 218 V CB -0.325 31.594 31.823 0.161 0.000 0.674 218 V HN 0.584 nan 8.190 nan 0.000 0.470 219 Q N -0.567 119.242 119.800 0.016 0.000 2.224 219 Q HA -0.083 4.257 4.340 0.001 0.000 0.203 219 Q C 2.257 178.266 176.000 0.015 0.000 0.970 219 Q CA 1.352 57.159 55.803 0.006 0.000 0.865 219 Q CB -0.414 28.311 28.738 -0.022 0.000 0.922 219 Q HN 0.706 nan 8.270 nan 0.000 0.445 220 G N 0.863 109.672 108.800 0.014 0.000 2.484 220 G HA2 -0.153 3.808 3.960 0.001 0.000 0.218 220 G HA3 -0.153 3.808 3.960 0.001 0.000 0.218 220 G C 1.431 176.358 174.900 0.045 0.000 1.130 220 G CA 0.704 45.817 45.100 0.020 0.000 0.784 220 G HN 0.352 nan 8.290 nan 0.000 0.543 221 L N -0.266 121.005 121.223 0.081 0.000 2.068 221 L HA 0.208 4.549 4.340 0.001 0.000 0.204 221 L C 2.508 179.408 176.870 0.050 0.000 1.076 221 L CA 1.824 56.707 54.840 0.071 0.000 0.753 221 L CB -0.711 41.407 42.059 0.098 0.000 0.910 221 L HN 0.239 nan 8.230 nan 0.000 0.439 222 M N -1.498 118.132 119.600 0.049 0.000 2.618 222 M HA 0.069 4.549 4.480 0.001 0.000 0.240 222 M C 1.085 177.412 176.300 0.044 0.000 1.123 222 M CA 0.409 55.736 55.300 0.044 0.000 1.060 222 M CB -0.893 31.728 32.600 0.035 0.000 1.535 222 M HN 0.267 nan 8.290 nan 0.000 0.507 223 D N 2.946 123.372 120.400 0.044 0.000 2.240 223 D HA -0.142 4.498 4.640 0.001 0.000 0.204 223 D C 0.551 176.891 176.300 0.067 0.000 1.018 223 D CA 1.425 55.453 54.000 0.046 0.000 0.887 223 D CB -0.191 40.634 40.800 0.041 0.000 1.087 223 D HN 0.507 nan 8.370 nan 0.000 0.464 224 E N 1.378 121.643 120.200 0.109 0.000 1.896 224 E HA 0.018 4.369 4.350 0.001 0.000 0.276 224 E C 0.708 177.407 176.600 0.166 0.000 1.171 224 E CA -0.073 56.443 56.400 0.193 0.000 1.118 224 E CB 0.335 30.252 29.700 0.361 0.000 1.077 224 E HN 0.016 nan 8.360 nan 0.000 0.452 225 S N 1.487 117.228 115.700 0.069 0.000 2.402 225 S HA -0.139 4.332 4.470 0.001 0.000 0.229 225 S C 1.819 176.415 174.600 -0.006 0.000 1.021 225 S CA 0.753 58.974 58.200 0.036 0.000 0.974 225 S CB 0.020 63.226 63.200 0.011 0.000 0.800 225 S HN 0.497 nan 8.310 nan 0.000 0.484 226 V N 0.783 120.634 119.914 -0.105 0.000 2.282 226 V HA -0.186 3.934 4.120 0.001 0.000 0.249 226 V C 1.598 177.530 176.094 -0.270 0.000 1.057 226 V CA 2.190 64.326 62.300 -0.274 0.000 1.032 226 V CB -0.585 30.919 31.823 -0.531 0.000 0.645 226 V HN 0.666 nan 8.190 nan 0.000 0.447 227 F N 0.392 120.352 119.950 0.017 0.000 2.664 227 F HA 0.379 4.906 4.527 0.001 0.000 0.296 227 F C 2.215 178.029 175.800 0.023 0.000 1.125 227 F CA 0.763 58.776 58.000 0.022 0.000 1.444 227 F CB -0.646 38.370 39.000 0.026 0.000 1.114 227 F HN 0.213 nan 8.300 nan 0.000 0.576 228 A N -0.451 122.481 122.820 0.186 0.000 2.208 228 A HA 0.062 4.382 4.320 0.001 0.000 0.209 228 A C 1.920 179.551 177.584 0.078 0.000 1.161 228 A CA 0.657 52.767 52.037 0.122 0.000 0.782 228 A CB -0.380 18.681 19.000 0.101 0.000 0.816 228 A HN 0.199 nan 8.150 nan 0.000 0.477 229 M N 0.402 120.035 119.600 0.056 0.000 2.428 229 M HA 0.115 4.595 4.480 0.001 0.000 0.239 229 M C -0.045 176.277 176.300 0.037 0.000 1.121 229 M CA 0.498 55.819 55.300 0.034 0.000 1.019 229 M CB -0.326 32.280 32.600 0.010 0.000 1.485 229 M HN 0.419 nan 8.290 nan 0.000 0.484 230 R N -0.784 119.750 120.500 0.056 0.000 2.521 230 R HA 0.439 4.780 4.340 0.001 0.000 0.295 230 R C -2.809 173.530 176.300 0.064 0.000 1.183 230 R CA -1.427 54.705 56.100 0.054 0.000 0.957 230 R CB 0.533 30.865 30.300 0.054 0.000 1.171 230 R HN -0.116 nan 8.270 nan 0.000 0.494 231 P HA -0.243 nan 4.420 nan 0.000 0.204 231 P C 1.078 178.406 177.300 0.047 0.000 1.012 231 P CA 0.604 63.732 63.100 0.046 0.000 0.835 231 P CB 0.124 31.844 31.700 0.035 0.000 0.603 232 E N -0.261 119.962 120.200 0.039 0.000 2.253 232 E HA -0.317 4.033 4.350 0.001 0.000 0.202 232 E C 1.809 178.434 176.600 0.041 0.000 1.014 232 E CA 1.282 57.705 56.400 0.039 0.000 0.823 232 E CB -0.247 29.472 29.700 0.031 0.000 0.736 232 E HN 0.104 nan 8.360 nan 0.000 0.478 233 E N -0.002 120.225 120.200 0.045 0.000 2.208 233 E HA -0.052 4.298 4.350 0.001 0.000 0.193 233 E C 1.767 178.408 176.600 0.069 0.000 0.988 233 E CA 0.865 57.294 56.400 0.050 0.000 0.828 233 E CB -0.109 29.622 29.700 0.052 0.000 0.763 233 E HN 0.395 nan 8.360 nan 0.000 0.478 234 A N 1.061 123.928 122.820 0.077 0.000 2.070 234 A HA -0.114 4.206 4.320 0.001 0.000 0.220 234 A C 2.264 179.892 177.584 0.073 0.000 1.159 234 A CA 0.714 52.803 52.037 0.087 0.000 0.656 234 A CB -0.520 18.532 19.000 0.087 0.000 0.800 234 A HN 0.321 nan 8.150 nan 0.000 0.453 235 L N -0.595 120.666 121.223 0.063 0.000 2.017 235 L HA -0.137 4.203 4.340 0.001 0.000 0.208 235 L C 2.328 179.265 176.870 0.112 0.000 1.073 235 L CA 1.661 56.540 54.840 0.065 0.000 0.745 235 L CB -0.245 41.848 42.059 0.057 0.000 0.894 235 L HN 0.420 nan 8.230 nan 0.000 0.432 236 I N -0.688 119.933 120.570 0.085 0.000 2.439 236 I HA -0.268 3.902 4.170 0.001 0.000 0.251 236 I C 2.646 178.830 176.117 0.113 0.000 1.139 236 I CA 0.691 62.034 61.300 0.072 0.000 1.438 236 I CB -0.207 37.786 38.000 -0.012 0.000 1.085 236 I HN 0.260 nan 8.210 nan 0.000 0.427 237 R N 1.148 121.706 120.500 0.096 0.000 2.092 237 R HA -0.142 4.198 4.340 0.001 0.000 0.231 237 R C 2.299 178.645 176.300 0.077 0.000 1.119 237 R CA 1.277 57.430 56.100 0.089 0.000 0.970 237 R CB -0.184 30.174 30.300 0.096 0.000 0.864 237 R HN 0.296 nan 8.270 nan 0.000 0.440 238 L N -0.460 120.810 121.223 0.079 0.000 2.109 238 L HA -0.075 4.266 4.340 0.001 0.000 0.207 238 L C 1.841 178.732 176.870 0.034 0.000 1.086 238 L CA 0.849 55.712 54.840 0.039 0.000 0.760 238 L CB -0.276 41.793 42.059 0.016 0.000 0.910 238 L HN 0.209 nan 8.230 nan 0.000 0.437 239 F N 0.621 120.533 119.950 -0.062 0.000 2.154 239 F HA -0.284 4.243 4.527 0.001 0.000 0.301 239 F C 2.348 178.119 175.800 -0.048 0.000 1.087 239 F CA 2.173 60.135 58.000 -0.063 0.000 1.274 239 F CB -0.559 38.413 39.000 -0.047 0.000 1.009 239 F HN 0.070 nan 8.300 nan 0.000 0.485 240 T N 0.998 115.710 114.554 0.265 0.000 2.777 240 T HA -0.196 4.154 4.350 0.001 0.000 0.266 240 T C 2.219 176.965 174.700 0.076 0.000 1.040 240 T CA 1.319 63.511 62.100 0.153 0.000 1.141 240 T CB -0.709 68.217 68.868 0.096 0.000 0.868 240 T HN 0.388 nan 8.240 nan 0.000 0.444 241 L N 0.445 121.689 121.223 0.036 0.000 2.043 241 L HA 0.050 4.391 4.340 0.001 0.000 0.212 241 L C 1.220 178.069 176.870 -0.036 0.000 1.075 241 L CA 1.019 55.854 54.840 -0.007 0.000 0.752 241 L CB -0.378 41.669 42.059 -0.019 0.000 0.891 241 L HN 0.253 nan 8.230 nan 0.000 0.432 242 L N 0.524 121.702 121.223 -0.074 0.000 2.472 242 L HA -0.033 4.308 4.340 0.001 0.000 0.273 242 L C 0.041 176.886 176.870 -0.042 0.000 1.254 242 L CA 0.098 54.873 54.840 -0.109 0.000 0.823 242 L CB 0.280 42.216 42.059 -0.205 0.000 1.096 242 L HN 0.406 nan 8.230 nan 0.000 0.521 243 R N 1.094 121.569 120.500 -0.041 0.000 2.512 243 R HA 0.555 4.896 4.340 0.001 0.000 0.291 243 R C -2.724 173.577 176.300 0.002 0.000 1.097 243 R CA -0.833 55.263 56.100 -0.006 0.000 0.940 243 R CB 0.820 31.116 30.300 -0.007 0.000 1.198 243 R HN 0.382 nan 8.270 nan 0.000 0.429 244 P HA 0.340 nan 4.420 nan 0.000 0.534 244 P C -0.578 176.746 177.300 0.040 0.000 0.883 244 P CA 0.398 63.517 63.100 0.031 0.000 2.500 244 P CB 1.159 32.883 31.700 0.040 0.000 1.143 245 G N 1.083 109.918 108.800 0.058 0.000 2.919 245 G HA2 -0.033 3.927 3.960 0.001 0.000 0.225 245 G HA3 -0.033 3.927 3.960 0.001 0.000 0.225 245 G C -1.047 173.892 174.900 0.064 0.000 1.117 245 G CA -0.500 44.632 45.100 0.053 0.000 1.033 245 G HN 0.174 nan 8.290 nan 0.000 0.532 246 D N 0.326 120.791 120.400 0.108 0.000 2.332 246 D HA 0.572 5.213 4.640 0.001 0.000 0.252 246 D C -1.998 174.318 176.300 0.026 0.000 1.050 246 D CA -1.333 52.744 54.000 0.127 0.000 0.970 246 D CB 0.956 41.948 40.800 0.321 0.000 1.141 246 D HN 0.121 nan 8.370 nan 0.000 0.485 247 P HA 0.132 nan 4.420 nan 0.000 0.267 247 P C -1.942 175.148 177.300 -0.351 0.000 1.209 247 P CA -0.748 62.271 63.100 -0.136 0.000 0.763 247 P CB 0.275 31.917 31.700 -0.097 0.000 0.816 248 P HA -0.144 nan 4.420 nan 0.000 0.216 248 P C 0.191 177.219 177.300 -0.453 0.000 1.150 248 P CA 1.312 64.195 63.100 -0.361 0.000 0.837 248 P CB 0.191 31.788 31.700 -0.172 0.000 0.786 249 K N 0.741 120.960 120.400 -0.302 0.000 2.284 249 K HA 0.252 4.572 4.320 0.001 0.000 0.287 249 K C -0.314 176.145 176.600 -0.234 0.000 1.081 249 K CA -0.244 55.907 56.287 -0.226 0.000 0.910 249 K CB 0.191 32.619 32.500 -0.121 0.000 1.088 249 K HN -0.154 nan 8.250 nan 0.000 0.478 250 R N 4.362 124.727 120.500 -0.224 0.000 3.179 250 R HA 0.001 4.342 4.340 0.001 0.000 0.231 250 R C -0.362 175.923 176.300 -0.026 0.000 1.796 250 R CA -0.514 55.531 56.100 -0.091 0.000 1.233 250 R CB 0.493 30.777 30.300 -0.027 0.000 1.545 250 R HN 0.853 nan 8.270 nan 0.000 0.552 251 D N 2.195 122.584 120.400 -0.018 0.000 2.633 251 D HA -0.237 4.404 4.640 0.001 0.000 0.206 251 D C 0.201 176.496 176.300 -0.009 0.000 1.055 251 D CA 2.000 56.000 54.000 -0.001 0.000 0.903 251 D CB 0.379 41.194 40.800 0.024 0.000 1.115 251 D HN 0.380 nan 8.370 nan 0.000 0.479 252 K N -1.295 119.045 120.400 -0.101 0.000 3.012 252 K HA 0.573 4.894 4.320 0.001 0.000 0.207 252 K C 0.427 176.461 176.600 -0.943 0.000 1.130 252 K CA 0.158 56.274 56.287 -0.285 0.000 1.021 252 K CB 1.215 33.625 32.500 -0.151 0.000 0.736 252 K HN 0.065 nan 8.250 nan 0.000 0.448 253 A N 0.541 123.106 122.820 -0.426 0.000 1.831 253 A HA -0.015 4.305 4.320 0.001 0.000 0.213 253 A C 1.920 179.445 177.584 -0.097 0.000 1.223 253 A CA 1.277 53.173 52.037 -0.235 0.000 0.604 253 A CB -0.597 18.453 19.000 0.083 0.000 0.878 253 A HN 0.073 nan 8.150 nan 0.000 0.450 254 V N 0.265 120.170 119.914 -0.016 0.000 2.667 254 V HA -0.139 3.981 4.120 0.001 0.000 0.252 254 V C 2.890 178.965 176.094 -0.031 0.000 1.065 254 V CA 1.558 63.849 62.300 -0.016 0.000 1.083 254 V CB -1.148 30.568 31.823 -0.179 0.000 0.692 254 V HN 0.596 nan 8.190 nan 0.000 0.468 255 A N -1.106 121.597 122.820 -0.195 0.000 2.125 255 A HA -0.176 4.145 4.320 0.001 0.000 0.219 255 A C 1.974 179.263 177.584 -0.493 0.000 1.156 255 A CA 1.311 53.062 52.037 -0.478 0.000 0.671 255 A CB -0.569 17.997 19.000 -0.723 0.000 0.794 255 A HN 0.551 nan 8.150 nan 0.000 0.459 256 Y N -0.365 119.958 120.300 0.038 0.000 2.153 256 Y HA -0.123 4.428 4.550 0.001 0.000 0.289 256 Y C 2.629 178.521 175.900 -0.014 0.000 1.127 256 Y CA 0.812 59.052 58.100 0.233 0.000 1.131 256 Y CB -1.090 37.478 38.460 0.180 0.000 0.995 256 Y HN 0.088 nan 8.280 nan 0.000 0.505 257 V N -1.120 118.812 119.914 0.030 0.000 2.324 257 V HA -0.311 3.809 4.120 0.001 0.000 0.250 257 V C 1.113 176.776 176.094 -0.719 0.000 1.060 257 V CA 1.850 63.922 62.300 -0.379 0.000 1.042 257 V CB -0.981 30.518 31.823 -0.540 0.000 0.650 257 V HN 0.412 nan 8.190 nan 0.000 0.450 258 Y N 0.104 120.370 120.300 -0.057 0.000 2.683 258 Y HA 0.524 5.075 4.550 0.001 0.000 0.297 258 Y C 1.457 177.335 175.900 -0.037 0.000 1.147 258 Y CA 0.226 58.292 58.100 -0.056 0.000 1.274 258 Y CB -0.102 38.293 38.460 -0.108 0.000 1.143 258 Y HN 0.166 nan 8.280 nan 0.000 0.527 259 G N -0.456 108.367 108.800 0.038 0.000 2.583 259 G HA2 0.084 4.045 3.960 0.001 0.000 0.214 259 G HA3 0.084 4.045 3.960 0.001 0.000 0.214 259 G C 0.639 175.638 174.900 0.166 0.000 2.072 259 G CA 0.138 45.359 45.100 0.201 0.000 0.745 259 G HN 0.174 nan 8.290 nan 0.000 0.762 260 L N -0.346 120.957 121.223 0.134 0.000 2.388 260 L HA 0.476 4.817 4.340 0.001 0.000 0.209 260 L C 2.032 178.862 176.870 -0.066 0.000 1.061 260 L CA 1.145 55.999 54.840 0.024 0.000 0.834 260 L CB -0.148 41.878 42.059 -0.055 0.000 1.029 260 L HN 0.314 nan 8.230 nan 0.000 0.473 261 I N -0.509 119.988 120.570 -0.123 0.000 3.341 261 I HA 0.337 4.507 4.170 0.001 0.000 0.243 261 I C 2.298 178.344 176.117 -0.118 0.000 1.094 261 I CA 1.047 62.264 61.300 -0.139 0.000 1.507 261 I CB -1.383 36.497 38.000 -0.200 0.000 1.441 261 I HN 0.067 nan 8.210 nan 0.000 0.465 262 A N 1.102 123.835 122.820 -0.145 0.000 1.861 262 A HA -0.123 4.197 4.320 0.001 0.000 0.214 262 A C 1.889 179.381 177.584 -0.153 0.000 1.322 262 A CA 1.942 53.892 52.037 -0.144 0.000 0.601 262 A CB -1.212 17.695 19.000 -0.154 0.000 0.966 262 A HN 0.414 nan 8.150 nan 0.000 0.471 263 D N 0.681 120.962 120.400 -0.199 0.000 2.160 263 D HA -0.064 4.577 4.640 0.001 0.000 0.189 263 D C -1.162 175.055 176.300 -0.140 0.000 1.003 263 D CA 1.533 55.427 54.000 -0.176 0.000 0.846 263 D CB -2.105 38.545 40.800 -0.251 0.000 0.949 263 D HN 0.335 nan 8.370 nan 0.000 0.446 264 P HA 0.142 nan 4.420 nan 0.000 0.280 264 P C -0.057 177.172 177.300 -0.119 0.000 1.278 264 P CA -0.011 63.050 63.100 -0.065 0.000 0.787 264 P CB 0.584 32.294 31.700 0.018 0.000 1.163 265 R N 0.167 120.589 120.500 -0.129 0.000 2.854 265 R HA 0.360 4.701 4.340 0.001 0.000 0.271 265 R C 0.638 177.013 176.300 0.125 0.000 0.994 265 R CA -0.802 55.172 56.100 -0.209 0.000 0.945 265 R CB 1.234 31.098 30.300 -0.728 0.000 1.194 265 R HN 0.224 nan 8.270 nan 0.000 0.476 266 R N 1.746 122.288 120.500 0.070 0.000 2.325 266 R HA 0.040 4.380 4.340 0.001 0.000 0.214 266 R C -0.394 176.039 176.300 0.221 0.000 0.961 266 R CA 0.072 56.249 56.100 0.128 0.000 1.086 266 R CB -0.529 29.799 30.300 0.046 0.000 1.037 266 R HN 0.506 nan 8.270 nan 0.000 0.493 267 Y N -0.187 120.107 120.300 -0.009 0.000 2.717 267 Y HA 0.032 4.583 4.550 0.001 0.000 0.330 267 Y C 0.091 175.993 175.900 0.004 0.000 1.217 267 Y CA -1.537 56.560 58.100 -0.005 0.000 1.506 267 Y CB 0.134 38.593 38.460 -0.001 0.000 1.268 267 Y HN -0.144 nan 8.280 nan 0.000 0.561 268 D N 3.460 123.910 120.400 0.084 0.000 3.683 268 D HA -0.163 4.478 4.640 0.001 0.000 0.201 268 D C -0.204 176.060 176.300 -0.060 0.000 1.100 268 D CA 0.704 54.707 54.000 0.006 0.000 0.742 268 D CB 0.386 41.182 40.800 -0.007 0.000 1.168 268 D HN 0.606 nan 8.370 nan 0.000 0.585 269 L N 3.080 124.286 121.223 -0.029 0.000 2.597 269 L HA 0.258 4.599 4.340 0.001 0.000 0.271 269 L C 1.526 178.365 176.870 -0.051 0.000 1.157 269 L CA 0.894 55.707 54.840 -0.044 0.000 0.928 269 L CB -0.264 41.793 42.059 -0.004 0.000 1.216 269 L HN 0.758 nan 8.230 nan 0.000 0.481 270 G N 3.292 112.044 108.800 -0.080 0.000 3.151 270 G HA2 -0.194 3.766 3.960 0.001 0.000 0.197 270 G HA3 -0.194 3.766 3.960 0.001 0.000 0.197 270 G C 0.802 175.675 174.900 -0.046 0.000 1.682 270 G CA 0.058 45.129 45.100 -0.049 0.000 1.205 270 G HN 0.517 nan 8.290 nan 0.000 0.510 271 E N 0.730 120.901 120.200 -0.049 0.000 2.372 271 E HA 0.402 4.753 4.350 0.001 0.000 0.201 271 E C 2.626 179.220 176.600 -0.011 0.000 0.938 271 E CA 0.928 57.324 56.400 -0.006 0.000 0.944 271 E CB 0.624 30.320 29.700 -0.007 0.000 0.937 271 E HN 0.528 nan 8.360 nan 0.000 0.495 272 A N 1.016 123.759 122.820 -0.128 0.000 1.849 272 A HA -0.162 4.159 4.320 0.001 0.000 0.216 272 A C 2.224 179.684 177.584 -0.206 0.000 1.225 272 A CA 2.473 54.400 52.037 -0.184 0.000 0.653 272 A CB -1.140 17.626 19.000 -0.390 0.000 0.844 272 A HN 0.322 nan 8.150 nan 0.000 0.453 273 G N -2.103 106.291 108.800 -0.677 0.000 2.608 273 G HA2 0.019 3.980 3.960 0.001 0.000 0.210 273 G HA3 0.019 3.980 3.960 0.001 0.000 0.210 273 G C 1.558 176.385 174.900 -0.122 0.000 1.139 273 G CA 0.685 45.597 45.100 -0.312 0.000 0.812 273 G HN 0.500 nan 8.290 nan 0.000 0.529 274 R N -0.312 120.100 120.500 -0.147 0.000 2.341 274 R HA -0.089 4.251 4.340 0.001 0.000 0.213 274 R C 1.929 178.224 176.300 -0.009 0.000 1.082 274 R CA 0.911 56.970 56.100 -0.068 0.000 1.017 274 R CB -0.342 29.923 30.300 -0.059 0.000 0.860 274 R HN 0.534 nan 8.270 nan 0.000 0.473 275 Y N 0.523 120.778 120.300 -0.076 0.000 2.184 275 Y HA -0.053 4.498 4.550 0.001 0.000 0.290 275 Y C 1.199 177.065 175.900 -0.056 0.000 1.129 275 Y CA 1.395 59.466 58.100 -0.048 0.000 1.144 275 Y CB -0.078 38.376 38.460 -0.009 0.000 0.995 275 Y HN -0.153 nan 8.280 nan 0.000 0.513 276 K N 1.132 121.193 120.400 -0.565 0.000 2.362 276 K HA 0.041 4.362 4.320 0.001 0.000 0.200 276 K C 1.933 178.295 176.600 -0.397 0.000 1.046 276 K CA 0.888 56.779 56.287 -0.660 0.000 0.952 276 K CB -0.358 31.919 32.500 -0.373 0.000 0.753 276 K HN 0.470 nan 8.250 nan 0.000 0.466 277 A N 1.124 123.791 122.820 -0.255 0.000 2.028 277 A HA -0.094 4.227 4.320 0.001 0.000 0.213 277 A C 1.978 179.452 177.584 -0.183 0.000 1.486 277 A CA 0.942 52.866 52.037 -0.188 0.000 0.597 277 A CB -0.957 17.975 19.000 -0.114 0.000 1.089 277 A HN 0.214 nan 8.150 nan 0.000 0.489 278 E N -0.454 119.669 120.200 -0.128 0.000 2.172 278 E HA -0.345 4.005 4.350 0.001 0.000 0.213 278 E C 1.914 178.440 176.600 -0.124 0.000 1.051 278 E CA 2.471 58.808 56.400 -0.105 0.000 0.860 278 E CB -0.149 29.518 29.700 -0.055 0.000 0.755 278 E HN 0.672 nan 8.360 nan 0.000 0.462 279 E N 0.371 120.490 120.200 -0.135 0.000 2.028 279 E HA -0.158 4.193 4.350 0.001 0.000 0.190 279 E C 1.730 178.255 176.600 -0.126 0.000 0.984 279 E CA 1.881 58.211 56.400 -0.116 0.000 0.800 279 E CB -0.107 29.524 29.700 -0.115 0.000 0.758 279 E HN 0.221 nan 8.360 nan 0.000 0.448 280 K N -0.049 120.244 120.400 -0.178 0.000 2.031 280 K HA 0.135 4.456 4.320 0.001 0.000 0.205 280 K C 0.731 177.251 176.600 -0.134 0.000 1.049 280 K CA 1.273 57.506 56.287 -0.090 0.000 0.939 280 K CB -0.126 32.264 32.500 -0.183 0.000 0.717 280 K HN 0.318 nan 8.250 nan 0.000 0.438 281 L N -3.604 117.453 121.223 -0.277 0.000 2.653 281 L HA 0.565 4.906 4.340 0.001 0.000 0.257 281 L C -0.882 175.791 176.870 -0.327 0.000 0.969 281 L CA -0.625 53.924 54.840 -0.486 0.000 0.869 281 L CB 1.929 43.794 42.059 -0.322 0.000 1.439 281 L HN 0.303 nan 8.230 nan 0.000 0.414 282 G N 1.468 110.066 108.800 -0.336 0.000 2.870 282 G HA2 -0.196 3.765 3.960 0.001 0.000 0.685 282 G HA3 -0.196 3.765 3.960 0.001 0.000 0.685 282 G C 0.020 174.838 174.900 -0.135 0.000 1.556 282 G CA 0.165 45.159 45.100 -0.176 0.000 1.042 282 G HN 0.909 nan 8.290 nan 0.000 0.592 283 I N 0.609 121.131 120.570 -0.081 0.000 2.681 283 I HA 0.206 4.376 4.170 0.001 0.000 0.247 283 I C 1.728 177.826 176.117 -0.032 0.000 1.091 283 I CA 0.593 61.859 61.300 -0.057 0.000 1.442 283 I CB 0.069 38.047 38.000 -0.036 0.000 1.219 283 I HN 0.541 nan 8.210 nan 0.000 0.451 284 R N 1.049 121.543 120.500 -0.010 0.000 2.856 284 R HA 0.701 5.041 4.340 0.001 0.000 0.258 284 R C -1.339 174.973 176.300 0.020 0.000 1.066 284 R CA -0.674 55.430 56.100 0.006 0.000 1.045 284 R CB 2.270 32.582 30.300 0.020 0.000 1.178 284 R HN 0.103 nan 8.270 nan 0.000 0.499 285 L N 1.087 122.325 121.223 0.025 0.000 2.504 285 L HA 0.408 4.748 4.340 0.001 0.000 0.265 285 L C -1.478 175.419 176.870 0.044 0.000 0.975 285 L CA -0.322 54.541 54.840 0.038 0.000 0.864 285 L CB 2.036 44.106 42.059 0.018 0.000 1.212 285 L HN 0.544 nan 8.230 nan 0.000 0.416 286 S N 3.929 119.667 115.700 0.063 0.000 2.411 286 S HA 0.756 5.227 4.470 0.001 0.000 0.294 286 S C 0.227 174.870 174.600 0.071 0.000 1.115 286 S CA 0.623 58.859 58.200 0.060 0.000 1.071 286 S CB 0.329 63.566 63.200 0.063 0.000 0.967 286 S HN 1.470 nan 8.310 nan 0.000 0.488 287 G N 4.760 113.596 108.800 0.059 0.000 2.999 287 G HA2 -0.176 3.784 3.960 0.001 0.000 0.686 287 G HA3 -0.176 3.784 3.960 0.001 0.000 0.686 287 G C 0.233 175.174 174.900 0.068 0.000 1.057 287 G CA -0.092 45.048 45.100 0.067 0.000 0.784 287 G HN 0.831 nan 8.290 nan 0.000 0.575 288 R N 0.254 120.790 120.500 0.060 0.000 2.496 288 R HA -0.203 4.138 4.340 0.001 0.000 0.197 288 R C 2.113 178.474 176.300 0.103 0.000 0.997 288 R CA 2.768 58.908 56.100 0.067 0.000 0.715 288 R CB -1.136 29.230 30.300 0.110 0.000 0.845 288 R HN 0.873 nan 8.270 nan 0.000 0.387 289 T N 0.969 115.618 114.554 0.158 0.000 2.897 289 T HA 0.413 4.764 4.350 0.001 0.000 0.278 289 T C -0.277 174.513 174.700 0.149 0.000 0.981 289 T CA -0.450 61.752 62.100 0.171 0.000 0.973 289 T CB 0.615 69.597 68.868 0.190 0.000 1.092 289 T HN 0.402 nan 8.240 nan 0.000 0.543 290 L N 0.282 121.608 121.223 0.171 0.000 3.022 290 L HA 0.417 4.757 4.340 0.001 0.000 0.303 290 L C -0.015 176.977 176.870 0.204 0.000 1.081 290 L CA -0.073 54.885 54.840 0.196 0.000 1.164 290 L CB -1.626 40.586 42.059 0.255 0.000 1.559 290 L HN 0.617 nan 8.230 nan 0.000 0.422 291 A N 4.600 127.534 122.820 0.191 0.000 2.454 291 A HA 0.978 5.299 4.320 0.001 0.000 0.302 291 A C -0.201 177.504 177.584 0.202 0.000 1.079 291 A CA -0.839 51.323 52.037 0.207 0.000 0.731 291 A CB 1.559 20.638 19.000 0.131 0.000 1.299 291 A HN 0.848 nan 8.150 nan 0.000 0.413 292 R N 0.616 121.247 120.500 0.219 0.000 3.964 292 R HA 0.298 4.639 4.340 0.001 0.000 0.244 292 R C -2.117 174.174 176.300 -0.015 0.000 1.004 292 R CA -0.323 55.839 56.100 0.103 0.000 1.148 292 R CB 0.352 30.650 30.300 -0.002 0.000 1.234 292 R HN 1.592 nan 8.270 nan 0.000 0.567 293 F N 3.294 123.103 119.950 -0.235 0.000 2.548 293 F HA 0.417 4.944 4.527 0.001 0.000 0.379 293 F C 0.168 175.873 175.800 -0.158 0.000 1.380 293 F CA -0.675 57.181 58.000 -0.239 0.000 1.095 293 F CB 0.168 39.043 39.000 -0.208 0.000 1.270 293 F HN 0.676 nan 8.300 nan 0.000 0.509 294 E N 0.836 120.857 120.200 -0.300 0.000 2.099 294 E HA -0.030 4.321 4.350 0.001 0.000 0.191 294 E C 0.195 176.659 176.600 -0.226 0.000 0.962 294 E CA 1.261 57.463 56.400 -0.329 0.000 0.826 294 E CB 0.234 29.815 29.700 -0.199 0.000 0.788 294 E HN 0.429 nan 8.360 nan 0.000 0.461 295 D N -1.497 118.799 120.400 -0.173 0.000 2.433 295 D HA 0.218 4.858 4.640 0.001 0.000 0.211 295 D C 0.833 177.076 176.300 -0.095 0.000 1.114 295 D CA 0.835 54.765 54.000 -0.116 0.000 0.837 295 D CB 1.160 41.908 40.800 -0.087 0.000 0.984 295 D HN 0.378 nan 8.370 nan 0.000 0.505 296 G N 1.048 109.769 108.800 -0.132 0.000 2.253 296 G HA2 -0.263 3.697 3.960 0.001 0.000 0.251 296 G HA3 -0.263 3.697 3.960 0.001 0.000 0.251 296 G C 0.318 175.183 174.900 -0.059 0.000 0.998 296 G CA 0.234 45.294 45.100 -0.067 0.000 0.621 296 G HN 0.348 nan 8.290 nan 0.000 0.524 297 E N 1.124 121.272 120.200 -0.086 0.000 2.081 297 E HA 0.536 4.887 4.350 0.001 0.000 0.281 297 E C -0.626 175.940 176.600 -0.056 0.000 0.986 297 E CA -0.783 55.612 56.400 -0.008 0.000 0.796 297 E CB 0.180 29.872 29.700 -0.013 0.000 1.085 297 E HN 0.132 nan 8.360 nan 0.000 0.398 298 F N 3.235 123.186 119.950 0.002 0.000 2.380 298 F HA 0.240 4.768 4.527 0.001 0.000 0.325 298 F C 0.943 176.723 175.800 -0.032 0.000 1.136 298 F CA -0.107 57.899 58.000 0.010 0.000 1.171 298 F CB 0.911 39.914 39.000 0.005 0.000 1.230 298 F HN 0.334 nan 8.300 nan 0.000 0.554 299 K N 1.105 121.619 120.400 0.191 0.000 2.345 299 K HA 0.470 4.790 4.320 0.001 0.000 0.255 299 K C -1.857 174.830 176.600 0.145 0.000 0.934 299 K CA -0.853 55.494 56.287 0.100 0.000 0.801 299 K CB 1.918 34.461 32.500 0.072 0.000 1.137 299 K HN 0.574 nan 8.250 nan 0.000 0.424 300 D N 3.462 123.934 120.400 0.121 0.000 2.375 300 D HA 0.064 4.704 4.640 0.001 0.000 0.259 300 D C -0.345 176.112 176.300 0.262 0.000 1.235 300 D CA -0.483 53.637 54.000 0.200 0.000 0.924 300 D CB 1.349 42.258 40.800 0.182 0.000 1.143 300 D HN 0.524 nan 8.370 nan 0.000 0.529 301 E N 1.051 121.375 120.200 0.207 0.000 2.476 301 E HA 0.014 4.364 4.350 0.001 0.000 0.191 301 E C 1.082 177.776 176.600 0.157 0.000 1.064 301 E CA 0.058 56.567 56.400 0.183 0.000 0.866 301 E CB 1.188 30.961 29.700 0.123 0.000 0.952 301 E HN 0.417 nan 8.360 nan 0.000 0.492 302 V N -0.948 119.088 119.914 0.204 0.000 3.151 302 V HA 0.008 4.129 4.120 0.001 0.000 0.241 302 V C 1.520 177.708 176.094 0.156 0.000 1.173 302 V CA 0.261 62.650 62.300 0.148 0.000 1.154 302 V CB -0.118 31.791 31.823 0.143 0.000 0.898 302 V HN 0.034 nan 8.190 nan 0.000 0.473 303 F N 0.297 120.313 119.950 0.110 0.000 2.102 303 F HA -0.127 4.400 4.527 0.001 0.000 0.298 303 F C 2.119 177.969 175.800 0.083 0.000 1.105 303 F CA 2.468 60.538 58.000 0.115 0.000 1.239 303 F CB -0.398 38.697 39.000 0.158 0.000 0.991 303 F HN 0.263 nan 8.300 nan 0.000 0.474 304 L N 0.969 122.343 121.223 0.251 0.000 2.056 304 L HA -0.020 4.321 4.340 0.001 0.000 0.207 304 L C -0.892 175.959 176.870 -0.032 0.000 1.078 304 L CA 2.062 56.915 54.840 0.022 0.000 0.749 304 L CB -2.116 39.834 42.059 -0.181 0.000 0.901 304 L HN -0.095 nan 8.230 nan 0.000 0.433 305 P HA -0.156 nan 4.420 nan 0.000 0.215 305 P C 1.756 179.071 177.300 0.025 0.000 1.153 305 P CA 2.423 65.518 63.100 -0.008 0.000 0.853 305 P CB -0.397 31.287 31.700 -0.027 0.000 0.788 306 T N -1.845 112.708 114.554 -0.003 0.000 2.652 306 T HA -0.209 4.141 4.350 0.001 0.000 0.267 306 T C 1.773 176.536 174.700 0.105 0.000 1.039 306 T CA 1.282 63.398 62.100 0.025 0.000 1.153 306 T CB -1.368 67.447 68.868 -0.088 0.000 0.863 306 T HN -0.073 nan 8.240 nan 0.000 0.428 307 L N 1.933 123.174 121.223 0.031 0.000 2.083 307 L HA 0.116 4.456 4.340 0.001 0.000 0.209 307 L C 2.845 179.731 176.870 0.026 0.000 1.083 307 L CA 2.043 56.903 54.840 0.033 0.000 0.752 307 L CB -0.941 41.059 42.059 -0.099 0.000 0.899 307 L HN 0.431 nan 8.230 nan 0.000 0.433 308 R N -1.871 118.623 120.500 -0.010 0.000 2.103 308 R HA -0.272 4.069 4.340 0.001 0.000 0.242 308 R C 1.984 178.498 176.300 0.357 0.000 1.142 308 R CA 2.070 58.225 56.100 0.091 0.000 0.960 308 R CB -0.802 29.554 30.300 0.093 0.000 0.858 308 R HN 0.385 nan 8.270 nan 0.000 0.439 309 Y N -0.132 120.255 120.300 0.145 0.000 2.544 309 Y HA 0.086 4.636 4.550 0.001 0.000 0.286 309 Y C 1.619 177.659 175.900 0.233 0.000 1.141 309 Y CA 0.116 58.327 58.100 0.185 0.000 1.299 309 Y CB 0.096 38.714 38.460 0.263 0.000 1.030 309 Y HN 0.156 nan 8.280 nan 0.000 0.543 310 L N -1.387 120.059 121.223 0.371 0.000 2.068 310 L HA -0.095 4.245 4.340 0.001 0.000 0.204 310 L C 2.038 179.106 176.870 0.330 0.000 1.076 310 L CA 1.683 56.723 54.840 0.334 0.000 0.753 310 L CB -0.848 41.418 42.059 0.344 0.000 0.910 310 L HN 0.110 nan 8.230 nan 0.000 0.439 311 F N -0.558 119.454 119.950 0.104 0.000 2.161 311 F HA -0.257 4.270 4.527 0.001 0.000 0.300 311 F C 2.382 178.255 175.800 0.122 0.000 1.089 311 F CA 0.716 58.768 58.000 0.087 0.000 1.282 311 F CB -0.327 38.720 39.000 0.077 0.000 1.010 311 F HN 0.264 nan 8.300 nan 0.000 0.485 312 A N -0.104 122.908 122.820 0.320 0.000 1.855 312 A HA -0.142 4.179 4.320 0.001 0.000 0.213 312 A C 1.911 179.397 177.584 -0.163 0.000 1.195 312 A CA 1.116 53.186 52.037 0.055 0.000 0.610 312 A CB -1.025 17.883 19.000 -0.152 0.000 0.837 312 A HN 0.320 nan 8.150 nan 0.000 0.444 313 L N 0.853 121.916 121.223 -0.268 0.000 2.191 313 L HA -0.119 4.221 4.340 0.001 0.000 0.212 313 L C 2.395 179.263 176.870 -0.003 0.000 1.103 313 L CA 2.843 57.529 54.840 -0.257 0.000 0.769 313 L CB -0.771 41.098 42.059 -0.317 0.000 0.908 313 L HN 0.559 nan 8.230 nan 0.000 0.438 314 T N -4.220 110.335 114.554 0.003 0.000 3.035 314 T HA 0.176 4.527 4.350 0.001 0.000 0.259 314 T C 1.738 176.400 174.700 -0.062 0.000 1.078 314 T CA 0.565 62.639 62.100 -0.044 0.000 1.132 314 T CB -0.391 68.434 68.868 -0.073 0.000 0.900 314 T HN 0.298 nan 8.240 nan 0.000 0.480 315 A N 1.041 123.844 122.820 -0.028 0.000 1.997 315 A HA 0.725 5.046 4.320 0.001 0.000 0.212 315 A C 1.483 179.050 177.584 -0.028 0.000 1.178 315 A CA 0.834 52.861 52.037 -0.017 0.000 0.698 315 A CB -0.399 18.637 19.000 0.059 0.000 0.842 315 A HN 0.823 nan 8.150 nan 0.000 0.458 316 G N -1.946 106.817 108.800 -0.062 0.000 2.512 316 G HA2 0.384 4.344 3.960 0.001 0.000 0.186 316 G HA3 0.384 4.344 3.960 0.001 0.000 0.186 316 G C -1.388 173.387 174.900 -0.210 0.000 1.189 316 G CA 0.323 45.366 45.100 -0.094 0.000 0.994 316 G HN 0.372 nan 8.290 nan 0.000 0.506 317 V N 2.498 122.261 119.914 -0.252 0.000 2.205 317 V HA 0.304 4.424 4.120 0.001 0.000 0.263 317 V C -1.539 174.378 176.094 -0.294 0.000 1.138 317 V CA -0.695 61.352 62.300 -0.421 0.000 1.059 317 V CB 0.789 32.321 31.823 -0.487 0.000 1.232 317 V HN 0.462 nan 8.190 nan 0.000 0.469 318 P HA 0.107 nan 4.420 nan 0.000 0.223 318 P C 0.849 178.064 177.300 -0.141 0.000 1.151 318 P CA 1.060 64.041 63.100 -0.199 0.000 0.787 318 P CB 0.347 31.919 31.700 -0.213 0.000 0.788 319 G N -2.718 105.950 108.800 -0.220 0.000 2.451 319 G HA2 0.170 4.130 3.960 0.001 0.000 0.292 319 G HA3 0.170 4.130 3.960 0.001 0.000 0.292 319 G C -1.816 172.908 174.900 -0.293 0.000 1.427 319 G CA -0.507 44.495 45.100 -0.163 0.000 0.792 319 G HN -0.137 nan 8.290 nan 0.000 0.498 320 H N 1.943 120.947 119.070 -0.109 0.000 2.818 320 H HA 0.197 4.754 4.556 0.001 0.000 0.269 320 H C -0.048 175.156 175.328 -0.208 0.000 1.277 320 H CA -0.228 55.732 56.048 -0.146 0.000 1.290 320 H CB 1.082 30.793 29.762 -0.084 0.000 1.479 320 H HN 0.406 nan 8.280 nan 0.000 0.507 321 E N 3.237 123.232 120.200 -0.341 0.000 2.222 321 E HA 0.098 4.448 4.350 0.001 0.000 0.312 321 E C -0.143 176.108 176.600 -0.581 0.000 1.263 321 E CA -0.255 55.730 56.400 -0.691 0.000 1.356 321 E CB -0.024 28.758 29.700 -1.531 0.000 1.180 321 E HN 0.145 nan 8.360 nan 0.000 0.494 322 V N 1.975 121.810 119.914 -0.132 0.000 2.443 322 V HA 0.162 4.282 4.120 0.001 0.000 0.293 322 V C -0.187 176.018 176.094 0.185 0.000 1.021 322 V CA -0.897 61.388 62.300 -0.024 0.000 0.848 322 V CB 2.058 33.765 31.823 -0.193 0.000 0.998 322 V HN 0.259 nan 8.190 nan 0.000 0.424 323 D N 3.086 123.678 120.400 0.319 0.000 2.329 323 D HA 0.179 4.819 4.640 0.001 0.000 0.232 323 D C -0.522 175.862 176.300 0.140 0.000 1.088 323 D CA -0.220 53.945 54.000 0.275 0.000 0.835 323 D CB 1.925 42.956 40.800 0.386 0.000 1.078 323 D HN 0.482 nan 8.370 nan 0.000 0.495 324 D N 3.345 123.820 120.400 0.124 0.000 2.344 324 D HA 0.052 4.693 4.640 0.001 0.000 0.253 324 D C 1.666 177.920 176.300 -0.076 0.000 1.255 324 D CA -0.243 53.786 54.000 0.049 0.000 0.894 324 D CB 0.617 41.494 40.800 0.128 0.000 1.067 324 D HN 0.368 nan 8.370 nan 0.000 0.492 325 I N 2.480 122.970 120.570 -0.133 0.000 2.091 325 I HA -0.359 3.812 4.170 0.001 0.000 0.240 325 I C 1.366 177.329 176.117 -0.257 0.000 1.046 325 I CA 1.260 62.422 61.300 -0.230 0.000 1.306 325 I CB -0.138 37.773 38.000 -0.149 0.000 1.018 325 I HN 0.350 nan 8.210 nan 0.000 0.404 326 D N -0.542 119.657 120.400 -0.335 0.000 2.403 326 D HA -0.111 4.530 4.640 0.001 0.000 0.227 326 D C 0.841 176.817 176.300 -0.541 0.000 0.995 326 D CA 0.660 54.406 54.000 -0.424 0.000 0.928 326 D CB -0.622 39.885 40.800 -0.488 0.000 0.887 326 D HN 0.327 nan 8.370 nan 0.000 0.529 327 H N 0.882 119.699 119.070 -0.422 0.000 2.975 327 H HA -0.006 4.550 4.556 0.001 0.000 0.303 327 H C 1.152 176.440 175.328 -0.066 0.000 1.023 327 H CA -0.354 55.616 56.048 -0.129 0.000 1.473 327 H CB 0.963 30.718 29.762 -0.012 0.000 1.498 327 H HN -0.092 nan 8.280 nan 0.000 0.549 328 L N 4.108 125.428 121.223 0.162 0.000 2.447 328 L HA -0.080 4.261 4.340 0.001 0.000 0.225 328 L C 2.429 179.407 176.870 0.179 0.000 1.148 328 L CA 1.542 56.440 54.840 0.097 0.000 0.808 328 L CB -0.591 41.482 42.059 0.022 0.000 0.928 328 L HN 0.757 nan 8.230 nan 0.000 0.448 329 G N -1.432 107.446 108.800 0.130 0.000 2.920 329 G HA2 -0.116 3.844 3.960 0.001 0.000 0.208 329 G HA3 -0.116 3.844 3.960 0.001 0.000 0.208 329 G C 1.245 176.222 174.900 0.127 0.000 1.159 329 G CA 0.117 45.200 45.100 -0.029 0.000 0.784 329 G HN 0.403 nan 8.290 nan 0.000 0.535 330 N N -0.457 118.342 118.700 0.165 0.000 2.159 330 N HA 0.112 4.852 4.740 0.001 0.000 0.217 330 N C 0.148 175.690 175.510 0.053 0.000 1.223 330 N CA -0.115 53.000 53.050 0.109 0.000 0.896 330 N CB 1.147 39.501 38.487 -0.221 0.000 1.064 330 N HN 0.125 nan 8.380 nan 0.000 0.518 331 R N 1.444 122.025 120.500 0.136 0.000 2.371 331 R HA 0.270 4.610 4.340 0.001 0.000 0.312 331 R C -0.409 175.962 176.300 0.119 0.000 0.980 331 R CA -0.532 55.610 56.100 0.070 0.000 0.867 331 R CB 1.249 31.569 30.300 0.033 0.000 1.163 331 R HN 0.007 nan 8.270 nan 0.000 0.492 332 R N 3.833 124.288 120.500 -0.076 0.000 2.459 332 R HA 0.317 4.658 4.340 0.001 0.000 0.281 332 R C -0.808 175.486 176.300 -0.009 0.000 1.050 332 R CA -0.432 55.498 56.100 -0.283 0.000 1.055 332 R CB 0.672 30.649 30.300 -0.538 0.000 1.045 332 R HN 0.399 nan 8.270 nan 0.000 0.495 333 I N 3.607 124.128 120.570 -0.081 0.000 2.377 333 I HA 0.314 4.484 4.170 0.001 0.000 0.293 333 I C 0.005 176.116 176.117 -0.009 0.000 0.987 333 I CA -0.470 60.831 61.300 0.002 0.000 1.185 333 I CB 1.764 39.746 38.000 -0.030 0.000 1.341 333 I HN 0.527 nan 8.210 nan 0.000 0.455 334 R N 4.669 125.168 120.500 -0.003 0.000 2.233 334 R HA 0.439 4.780 4.340 0.001 0.000 0.334 334 R C -0.381 175.893 176.300 -0.043 0.000 1.037 334 R CA -0.565 55.513 56.100 -0.037 0.000 0.920 334 R CB 0.133 30.374 30.300 -0.098 0.000 1.137 334 R HN 0.573 nan 8.270 nan 0.000 0.492 335 T N 0.363 114.895 114.554 -0.037 0.000 2.813 335 T HA -0.004 4.346 4.350 0.001 0.000 0.297 335 T C 2.030 176.722 174.700 -0.012 0.000 1.036 335 T CA -0.851 61.233 62.100 -0.027 0.000 1.044 335 T CB 1.103 69.962 68.868 -0.015 0.000 0.993 335 T HN 0.198 nan 8.240 nan 0.000 0.535 336 V N 2.008 121.918 119.914 -0.007 0.000 2.236 336 V HA -0.266 3.855 4.120 0.001 0.000 0.255 336 V C 2.877 179.019 176.094 0.080 0.000 1.068 336 V CA 2.468 64.772 62.300 0.007 0.000 1.044 336 V CB -1.851 29.955 31.823 -0.028 0.000 0.653 336 V HN 1.160 nan 8.190 nan 0.000 0.448 337 G N -0.681 108.208 108.800 0.148 0.000 2.556 337 G HA2 -0.403 3.558 3.960 0.001 0.000 0.220 337 G HA3 -0.403 3.558 3.960 0.001 0.000 0.220 337 G C 1.532 176.449 174.900 0.029 0.000 1.156 337 G CA 1.335 46.523 45.100 0.147 0.000 0.766 337 G HN 0.657 nan 8.290 nan 0.000 0.583 338 E N -0.180 120.015 120.200 -0.008 0.000 2.077 338 E HA -0.094 4.256 4.350 0.001 0.000 0.193 338 E C 2.464 179.007 176.600 -0.095 0.000 0.989 338 E CA 0.775 57.146 56.400 -0.048 0.000 0.800 338 E CB -0.191 29.484 29.700 -0.043 0.000 0.746 338 E HN 0.411 nan 8.360 nan 0.000 0.452 339 L N 0.414 121.577 121.223 -0.100 0.000 2.217 339 L HA -0.104 4.237 4.340 0.001 0.000 0.211 339 L C 2.441 179.013 176.870 -0.497 0.000 1.107 339 L CA 0.880 55.600 54.840 -0.201 0.000 0.783 339 L CB -0.259 41.793 42.059 -0.012 0.000 0.919 339 L HN 0.345 nan 8.230 nan 0.000 0.442 340 M N -1.308 118.124 119.600 -0.281 0.000 2.325 340 M HA -0.089 4.391 4.480 0.001 0.000 0.265 340 M C 2.375 178.597 176.300 -0.129 0.000 1.094 340 M CA 1.644 56.784 55.300 -0.267 0.000 1.161 340 M CB -0.456 32.240 32.600 0.161 0.000 1.358 340 M HN 0.238 nan 8.290 nan 0.000 0.446 341 T N 0.670 115.170 114.554 -0.090 0.000 2.803 341 T HA -0.174 4.177 4.350 0.001 0.000 0.269 341 T C 1.522 176.235 174.700 0.021 0.000 1.052 341 T CA 1.928 63.984 62.100 -0.073 0.000 1.136 341 T CB -0.284 68.512 68.868 -0.120 0.000 0.864 341 T HN 0.372 nan 8.240 nan 0.000 0.467 342 D N -0.088 120.259 120.400 -0.087 0.000 2.123 342 D HA -0.050 4.590 4.640 0.001 0.000 0.200 342 D C 2.185 178.421 176.300 -0.107 0.000 0.976 342 D CA 0.992 54.937 54.000 -0.092 0.000 0.831 342 D CB -0.155 40.565 40.800 -0.133 0.000 0.974 342 D HN 0.381 nan 8.370 nan 0.000 0.469 343 Q N -0.340 119.336 119.800 -0.207 0.000 2.224 343 Q HA -0.098 4.242 4.340 0.001 0.000 0.203 343 Q C 1.822 177.788 176.000 -0.056 0.000 0.970 343 Q CA 0.690 56.389 55.803 -0.173 0.000 0.865 343 Q CB -0.436 28.101 28.738 -0.335 0.000 0.922 343 Q HN 0.314 nan 8.270 nan 0.000 0.445 344 F N 0.982 120.834 119.950 -0.163 0.000 2.146 344 F HA -0.133 4.394 4.527 0.001 0.000 0.298 344 F C 1.834 177.528 175.800 -0.176 0.000 1.096 344 F CA 1.638 59.556 58.000 -0.136 0.000 1.275 344 F CB -0.082 38.845 39.000 -0.122 0.000 1.008 344 F HN 0.077 nan 8.300 nan 0.000 0.480 345 R N -0.187 120.286 120.500 -0.046 0.000 2.193 345 R HA 0.026 4.366 4.340 0.001 0.000 0.213 345 R C 1.860 178.029 176.300 -0.217 0.000 1.055 345 R CA 1.260 57.242 56.100 -0.197 0.000 0.995 345 R CB -1.227 29.056 30.300 -0.028 0.000 0.893 345 R HN 0.306 nan 8.270 nan 0.000 0.459 346 V N 1.823 121.643 119.914 -0.157 0.000 2.295 346 V HA -0.156 3.965 4.120 0.001 0.000 0.246 346 V C 2.588 178.578 176.094 -0.173 0.000 1.049 346 V CA 2.199 64.416 62.300 -0.138 0.000 1.024 346 V CB -0.915 30.852 31.823 -0.093 0.000 0.648 346 V HN 0.608 nan 8.190 nan 0.000 0.447 347 G N -0.198 108.475 108.800 -0.213 0.000 2.418 347 G HA2 -0.237 3.723 3.960 0.001 0.000 0.217 347 G HA3 -0.237 3.723 3.960 0.001 0.000 0.217 347 G C 1.558 176.261 174.900 -0.328 0.000 1.158 347 G CA 1.008 45.965 45.100 -0.238 0.000 0.771 347 G HN 0.409 nan 8.290 nan 0.000 0.545 348 L N 1.523 122.457 121.223 -0.482 0.000 2.083 348 L HA 0.138 4.479 4.340 0.001 0.000 0.209 348 L C 2.988 179.660 176.870 -0.331 0.000 1.083 348 L CA 2.000 56.533 54.840 -0.510 0.000 0.752 348 L CB -0.942 40.713 42.059 -0.673 0.000 0.899 348 L HN 0.248 nan 8.230 nan 0.000 0.433 349 A N -0.447 122.218 122.820 -0.258 0.000 1.898 349 A HA -0.209 4.112 4.320 0.001 0.000 0.216 349 A C 2.374 179.866 177.584 -0.154 0.000 1.181 349 A CA 1.626 53.553 52.037 -0.183 0.000 0.620 349 A CB -0.474 18.438 19.000 -0.145 0.000 0.819 349 A HN 0.476 nan 8.150 nan 0.000 0.442 350 R N -1.118 119.291 120.500 -0.151 0.000 2.120 350 R HA -0.077 4.264 4.340 0.001 0.000 0.234 350 R C 2.008 178.233 176.300 -0.126 0.000 1.123 350 R CA 1.336 57.364 56.100 -0.119 0.000 0.975 350 R CB -0.437 29.798 30.300 -0.107 0.000 0.866 350 R HN 0.494 nan 8.270 nan 0.000 0.446 351 L N 0.192 121.315 121.223 -0.167 0.000 2.068 351 L HA 0.087 4.427 4.340 0.001 0.000 0.204 351 L C 2.129 178.905 176.870 -0.156 0.000 1.076 351 L CA 1.807 56.546 54.840 -0.168 0.000 0.753 351 L CB -0.690 41.236 42.059 -0.221 0.000 0.910 351 L HN 0.115 nan 8.230 nan 0.000 0.439 352 A N -0.634 122.078 122.820 -0.181 0.000 2.070 352 A HA -0.210 4.111 4.320 0.001 0.000 0.220 352 A C 2.476 179.995 177.584 -0.109 0.000 1.159 352 A CA 1.546 53.489 52.037 -0.156 0.000 0.656 352 A CB -0.629 18.268 19.000 -0.172 0.000 0.800 352 A HN 0.474 nan 8.150 nan 0.000 0.453 353 R N -0.892 119.547 120.500 -0.102 0.000 2.062 353 R HA -0.112 4.229 4.340 0.001 0.000 0.231 353 R C 2.342 178.605 176.300 -0.060 0.000 1.136 353 R CA 1.410 57.466 56.100 -0.073 0.000 0.948 353 R CB -0.545 29.713 30.300 -0.070 0.000 0.845 353 R HN 0.506 nan 8.270 nan 0.000 0.430 354 G N -0.285 108.475 108.800 -0.066 0.000 2.448 354 G HA2 -0.181 3.780 3.960 0.001 0.000 0.218 354 G HA3 -0.181 3.780 3.960 0.001 0.000 0.218 354 G C 1.301 176.172 174.900 -0.049 0.000 1.135 354 G CA 0.472 45.540 45.100 -0.053 0.000 0.784 354 G HN 0.285 nan 8.290 nan 0.000 0.543 355 V N 0.531 120.408 119.914 -0.063 0.000 2.427 355 V HA -0.064 4.057 4.120 0.001 0.000 0.248 355 V C 2.756 178.829 176.094 -0.035 0.000 1.051 355 V CA 1.893 64.161 62.300 -0.053 0.000 1.048 355 V CB -0.382 31.396 31.823 -0.075 0.000 0.666 355 V HN 0.346 nan 8.190 nan 0.000 0.456 356 R N -0.555 119.923 120.500 -0.037 0.000 2.105 356 R HA -0.154 4.186 4.340 0.001 0.000 0.239 356 R C 2.319 178.612 176.300 -0.012 0.000 1.135 356 R CA 1.613 57.700 56.100 -0.022 0.000 0.967 356 R CB -0.280 30.006 30.300 -0.023 0.000 0.861 356 R HN 0.498 nan 8.270 nan 0.000 0.442 357 E N 0.311 120.502 120.200 -0.016 0.000 2.150 357 E HA -0.137 4.213 4.350 0.001 0.000 0.193 357 E C 1.693 178.289 176.600 -0.006 0.000 0.985 357 E CA 1.025 57.419 56.400 -0.010 0.000 0.814 357 E CB 0.077 29.769 29.700 -0.014 0.000 0.752 357 E HN 0.047 nan 8.360 nan 0.000 0.466 358 R N -0.118 120.377 120.500 -0.008 0.000 2.299 358 R HA 0.145 4.485 4.340 0.001 0.000 0.197 358 R C 2.032 178.336 176.300 0.006 0.000 0.971 358 R CA 0.141 56.240 56.100 -0.003 0.000 1.030 358 R CB -0.236 30.060 30.300 -0.006 0.000 0.932 358 R HN 0.158 nan 8.270 nan 0.000 0.477 359 M N -0.230 119.375 119.600 0.008 0.000 2.296 359 M HA -0.100 4.380 4.480 0.001 0.000 0.265 359 M C 0.731 177.041 176.300 0.017 0.000 1.064 359 M CA 1.735 57.046 55.300 0.019 0.000 1.109 359 M CB 0.173 32.785 32.600 0.020 0.000 1.396 359 M HN 0.189 nan 8.290 nan 0.000 0.430 360 L N -1.389 119.840 121.223 0.010 0.000 2.408 360 L HA 0.026 4.366 4.340 0.001 0.000 0.215 360 L C 2.407 179.280 176.870 0.005 0.000 1.081 360 L CA 0.110 54.955 54.840 0.008 0.000 0.840 360 L CB -0.380 41.683 42.059 0.007 0.000 1.002 360 L HN 0.267 nan 8.230 nan 0.000 0.468 361 M N 0.287 119.889 119.600 0.004 0.000 2.098 361 M HA 0.058 4.538 4.480 0.001 0.000 0.262 361 M C 1.192 177.494 176.300 0.003 0.000 1.072 361 M CA 1.037 56.339 55.300 0.002 0.000 1.133 361 M CB -0.174 32.426 32.600 0.000 0.000 1.344 361 M HN 0.262 nan 8.290 nan 0.000 0.414 362 G N 0.292 109.095 108.800 0.005 0.000 2.225 362 G HA2 0.083 4.044 3.960 0.001 0.000 0.245 362 G HA3 0.083 4.044 3.960 0.001 0.000 0.245 362 G C 0.492 175.392 174.900 -0.000 0.000 1.249 362 G CA -0.070 45.033 45.100 0.005 0.000 0.919 362 G HN 0.445 nan 8.290 nan 0.000 0.486 363 S N 1.750 117.448 115.700 -0.003 0.000 2.462 363 S HA -0.068 4.402 4.470 0.001 0.000 0.219 363 S C 1.351 175.943 174.600 -0.014 0.000 1.048 363 S CA 0.994 59.190 58.200 -0.007 0.000 1.119 363 S CB -0.132 63.064 63.200 -0.007 0.000 1.100 363 S HN 0.728 nan 8.310 nan 0.000 0.411 364 E N 0.271 120.458 120.200 -0.022 0.000 2.819 364 E HA 0.191 4.541 4.350 0.001 0.000 0.241 364 E C 1.142 177.704 176.600 -0.064 0.000 0.987 364 E CA -0.542 55.834 56.400 -0.041 0.000 1.024 364 E CB -0.439 29.237 29.700 -0.039 0.000 1.448 364 E HN 0.314 nan 8.360 nan 0.000 0.484 365 D N 0.505 120.835 120.400 -0.117 0.000 2.149 365 D HA -0.145 4.495 4.640 0.001 0.000 0.194 365 D C -0.120 176.121 176.300 -0.098 0.000 1.001 365 D CA 0.897 54.764 54.000 -0.221 0.000 0.849 365 D CB 0.076 40.695 40.800 -0.301 0.000 0.939 365 D HN 0.056 nan 8.370 nan 0.000 0.449 366 S N -0.178 115.500 115.700 -0.037 0.000 3.232 366 S HA 0.131 4.602 4.470 0.001 0.000 0.298 366 S C 0.420 175.037 174.600 0.028 0.000 1.159 366 S CA -0.134 58.073 58.200 0.012 0.000 1.240 366 S CB -0.363 62.843 63.200 0.008 0.000 1.584 366 S HN 0.309 nan 8.310 nan 0.000 0.558 367 L N 0.813 122.073 121.223 0.061 0.000 3.519 367 L HA 0.294 4.635 4.340 0.001 0.000 0.323 367 L C 1.420 178.341 176.870 0.086 0.000 1.289 367 L CA -0.216 54.662 54.840 0.063 0.000 1.039 367 L CB -0.558 41.535 42.059 0.057 0.000 1.438 367 L HN 0.172 nan 8.230 nan 0.000 0.619 368 T N 0.587 115.202 114.554 0.102 0.000 2.668 368 T HA 0.017 4.367 4.350 0.001 0.000 0.258 368 T C -0.602 174.137 174.700 0.064 0.000 1.051 368 T CA 1.757 63.912 62.100 0.091 0.000 1.155 368 T CB -0.579 68.345 68.868 0.093 0.000 0.864 368 T HN 0.225 nan 8.240 nan 0.000 0.413 369 P HA -0.007 nan 4.420 nan 0.000 0.203 369 P C 1.391 178.708 177.300 0.029 0.000 0.968 369 P CA 1.206 64.331 63.100 0.043 0.000 0.904 369 P CB -0.307 31.415 31.700 0.036 0.000 0.646 370 A N -1.247 121.585 122.820 0.021 0.000 1.968 370 A HA -0.159 4.161 4.320 0.001 0.000 0.217 370 A C 2.211 179.799 177.584 0.006 0.000 1.169 370 A CA 1.851 53.893 52.037 0.009 0.000 0.638 370 A CB -1.186 17.819 19.000 0.008 0.000 0.812 370 A HN 0.106 nan 8.150 nan 0.000 0.446 371 K N -0.942 119.467 120.400 0.015 0.000 2.057 371 K HA -0.052 4.269 4.320 0.001 0.000 0.207 371 K C 1.427 178.031 176.600 0.006 0.000 1.049 371 K CA 1.287 57.582 56.287 0.012 0.000 0.931 371 K CB -0.197 32.316 32.500 0.023 0.000 0.714 371 K HN 0.351 nan 8.250 nan 0.000 0.440 372 L N -0.769 120.460 121.223 0.009 0.000 2.408 372 L HA 0.144 4.485 4.340 0.001 0.000 0.215 372 L C -0.188 176.665 176.870 -0.029 0.000 1.081 372 L CA 0.440 55.277 54.840 -0.005 0.000 0.840 372 L CB 0.522 42.586 42.059 0.008 0.000 1.002 372 L HN -0.181 nan 8.230 nan 0.000 0.468 373 V N 1.363 121.263 119.914 -0.023 0.000 2.513 373 V HA 0.463 4.583 4.120 0.001 0.000 0.299 373 V C -0.550 175.516 176.094 -0.048 0.000 1.035 373 V CA -0.829 61.445 62.300 -0.044 0.000 0.889 373 V CB 1.708 33.513 31.823 -0.029 0.000 0.988 373 V HN 0.433 nan 8.190 nan 0.000 0.440 374 N N 2.055 120.714 118.700 -0.068 0.000 2.480 374 N HA 0.191 4.932 4.740 0.001 0.000 0.289 374 N C -0.072 175.381 175.510 -0.094 0.000 1.073 374 N CA -0.508 52.500 53.050 -0.071 0.000 0.885 374 N CB 2.107 40.559 38.487 -0.058 0.000 1.421 374 N HN 0.378 nan 8.380 nan 0.000 0.503 375 S N 1.874 117.508 115.700 -0.110 0.000 2.607 375 S HA -0.002 4.468 4.470 0.001 0.000 0.224 375 S C 1.588 176.119 174.600 -0.115 0.000 0.969 375 S CA 0.048 58.162 58.200 -0.143 0.000 0.927 375 S CB -0.086 62.982 63.200 -0.219 0.000 0.772 375 S HN 0.501 nan 8.310 nan 0.000 0.533 376 R N 2.372 122.821 120.500 -0.084 0.000 2.083 376 R HA -0.026 4.314 4.340 0.001 0.000 0.237 376 R C -0.987 175.280 176.300 -0.056 0.000 1.137 376 R CA 1.583 57.647 56.100 -0.059 0.000 0.951 376 R CB -1.610 28.663 30.300 -0.043 0.000 0.851 376 R HN 0.295 nan 8.270 nan 0.000 0.434 377 P HA -0.155 nan 4.420 nan 0.000 0.211 377 P C 1.247 178.502 177.300 -0.076 0.000 1.179 377 P CA 0.872 63.928 63.100 -0.074 0.000 0.910 377 P CB -0.099 31.540 31.700 -0.101 0.000 0.785 378 L N -0.352 120.805 121.223 -0.110 0.000 2.043 378 L HA -0.231 4.109 4.340 0.001 0.000 0.212 378 L C 2.219 179.070 176.870 -0.032 0.000 1.075 378 L CA 2.004 56.780 54.840 -0.107 0.000 0.752 378 L CB -1.247 40.725 42.059 -0.145 0.000 0.891 378 L HN -0.136 nan 8.230 nan 0.000 0.432 379 E N -0.444 119.737 120.200 -0.032 0.000 2.007 379 E HA -0.268 4.083 4.350 0.001 0.000 0.203 379 E C 2.190 178.824 176.600 0.056 0.000 1.020 379 E CA 1.930 58.339 56.400 0.016 0.000 0.845 379 E CB -0.693 29.004 29.700 -0.005 0.000 0.779 379 E HN 0.552 nan 8.360 nan 0.000 0.466 380 A N 0.521 123.362 122.820 0.036 0.000 1.948 380 A HA -0.219 4.102 4.320 0.001 0.000 0.220 380 A C 2.318 179.947 177.584 0.074 0.000 1.177 380 A CA 2.476 54.545 52.037 0.053 0.000 0.636 380 A CB -1.043 17.974 19.000 0.028 0.000 0.815 380 A HN 0.354 nan 8.150 nan 0.000 0.449 381 A N -0.132 122.720 122.820 0.053 0.000 1.845 381 A HA -0.069 4.251 4.320 0.001 0.000 0.215 381 A C 2.182 179.857 177.584 0.152 0.000 1.195 381 A CA 1.531 53.607 52.037 0.064 0.000 0.616 381 A CB -0.633 18.366 19.000 -0.002 0.000 0.832 381 A HN 0.474 nan 8.150 nan 0.000 0.443 382 I N -1.005 119.672 120.570 0.179 0.000 2.113 382 I HA -0.277 3.894 4.170 0.001 0.000 0.238 382 I C 2.735 179.119 176.117 0.445 0.000 1.070 382 I CA 1.895 63.397 61.300 0.336 0.000 1.332 382 I CB -0.346 37.828 38.000 0.291 0.000 1.044 382 I HN 0.442 nan 8.210 nan 0.000 0.402 383 R N 1.300 121.973 120.500 0.290 0.000 2.134 383 R HA -0.300 4.040 4.340 0.001 0.000 0.248 383 R C 2.142 178.607 176.300 0.275 0.000 1.143 383 R CA 2.387 58.644 56.100 0.261 0.000 0.957 383 R CB -0.461 29.939 30.300 0.166 0.000 0.867 383 R HN 0.381 nan 8.270 nan 0.000 0.441 384 E N -1.011 119.324 120.200 0.226 0.000 2.085 384 E HA -0.245 4.106 4.350 0.001 0.000 0.194 384 E C 1.675 178.396 176.600 0.201 0.000 0.994 384 E CA 1.565 58.071 56.400 0.178 0.000 0.801 384 E CB -0.258 29.528 29.700 0.143 0.000 0.743 384 E HN 0.461 nan 8.360 nan 0.000 0.453 385 F N -0.232 119.794 119.950 0.127 0.000 2.146 385 F HA -0.128 4.399 4.527 0.001 0.000 0.298 385 F C 1.580 177.351 175.800 -0.048 0.000 1.096 385 F CA 1.346 59.354 58.000 0.013 0.000 1.275 385 F CB -0.235 38.744 39.000 -0.035 0.000 1.008 385 F HN 0.017 nan 8.300 nan 0.000 0.480 386 F N -0.510 119.468 119.950 0.046 0.000 2.367 386 F HA -0.032 4.495 4.527 0.001 0.000 0.298 386 F C 2.414 178.165 175.800 -0.082 0.000 1.094 386 F CA 1.192 59.155 58.000 -0.061 0.000 1.409 386 F CB -0.545 38.542 39.000 0.145 0.000 1.064 386 F HN -0.119 nan 8.300 nan 0.000 0.528 387 S N -1.188 114.598 115.700 0.144 0.000 2.497 387 S HA 0.113 4.584 4.470 0.001 0.000 0.221 387 S C 1.637 176.249 174.600 0.020 0.000 1.037 387 S CA 0.098 58.351 58.200 0.088 0.000 0.920 387 S CB 0.329 63.599 63.200 0.116 0.000 0.800 387 S HN 0.164 nan 8.310 nan 0.000 0.505 388 R N 0.834 121.329 120.500 -0.008 0.000 2.446 388 R HA 0.331 4.671 4.340 0.001 0.000 0.254 388 R C 0.304 176.553 176.300 -0.085 0.000 0.918 388 R CA 0.028 56.116 56.100 -0.021 0.000 1.069 388 R CB 0.540 30.853 30.300 0.020 0.000 1.194 388 R HN 0.085 nan 8.270 nan 0.000 0.534 389 S N 0.782 116.355 115.700 -0.211 0.000 2.516 389 S HA -0.025 4.446 4.470 0.001 0.000 0.282 389 S C 0.968 175.423 174.600 -0.241 0.000 1.286 389 S CA -0.150 57.880 58.200 -0.284 0.000 1.066 389 S CB 0.884 63.647 63.200 -0.728 0.000 0.884 389 S HN 0.298 nan 8.310 nan 0.000 0.491 390 Q N 2.818 122.538 119.800 -0.133 0.000 2.404 390 Q HA -0.186 4.155 4.340 0.001 0.000 0.214 390 Q C 1.504 177.434 176.000 -0.116 0.000 0.992 390 Q CA 1.364 57.112 55.803 -0.092 0.000 0.899 390 Q CB -0.095 28.611 28.738 -0.052 0.000 0.921 390 Q HN 0.769 nan 8.270 nan 0.000 0.453 391 L N -0.724 120.388 121.223 -0.186 0.000 2.354 391 L HA 0.071 4.412 4.340 0.001 0.000 0.212 391 L C 0.829 177.567 176.870 -0.220 0.000 1.091 391 L CA 0.046 54.776 54.840 -0.184 0.000 0.828 391 L CB 0.475 42.424 42.059 -0.184 0.000 0.973 391 L HN -0.039 nan 8.230 nan 0.000 0.461 392 S N -0.191 115.329 115.700 -0.298 0.000 2.513 392 S HA 0.502 4.972 4.470 0.001 0.000 0.276 392 S C -0.426 174.116 174.600 -0.098 0.000 1.254 392 S CA -0.464 57.583 58.200 -0.255 0.000 1.053 392 S CB 0.936 63.913 63.200 -0.372 0.000 0.958 392 S HN 0.337 nan 8.310 nan 0.000 0.491 393 Q N 1.995 121.792 119.800 -0.005 0.000 2.687 393 Q HA 0.450 4.790 4.340 0.001 0.000 0.305 393 Q C -1.345 174.754 176.000 0.165 0.000 1.006 393 Q CA -0.811 55.059 55.803 0.112 0.000 0.763 393 Q CB 0.869 29.699 28.738 0.153 0.000 1.506 393 Q HN 0.737 nan 8.270 nan 0.000 0.459 394 F N 1.912 121.858 119.950 -0.008 0.000 2.590 394 F HA 0.020 4.548 4.527 0.001 0.000 0.389 394 F C 0.680 176.371 175.800 -0.182 0.000 1.049 394 F CA 0.425 58.391 58.000 -0.056 0.000 1.199 394 F CB 0.447 39.419 39.000 -0.047 0.000 1.058 394 F HN 0.248 nan 8.300 nan 0.000 0.556 395 K N 4.110 124.366 120.400 -0.239 0.000 2.416 395 K HA -0.049 4.271 4.320 0.001 0.000 0.283 395 K C -0.523 175.893 176.600 -0.306 0.000 1.037 395 K CA -0.422 55.668 56.287 -0.328 0.000 0.995 395 K CB 0.329 32.716 32.500 -0.188 0.000 0.938 395 K HN 0.526 nan 8.250 nan 0.000 0.475 396 D N 4.494 124.584 120.400 -0.517 0.000 2.393 396 D HA 0.024 4.665 4.640 0.001 0.000 0.232 396 D C -0.748 175.483 176.300 -0.114 0.000 1.192 396 D CA -0.009 53.869 54.000 -0.204 0.000 0.882 396 D CB 0.684 41.388 40.800 -0.159 0.000 1.038 396 D HN 0.528 nan 8.370 nan 0.000 0.499 397 E N 2.505 122.656 120.200 -0.081 0.000 2.939 397 E HA 0.093 4.443 4.350 0.001 0.000 0.215 397 E C 1.027 177.565 176.600 -0.103 0.000 1.025 397 E CA -0.193 56.159 56.400 -0.080 0.000 1.259 397 E CB 0.518 30.167 29.700 -0.086 0.000 1.228 397 E HN 0.426 nan 8.360 nan 0.000 0.443 398 T N 1.295 115.780 114.554 -0.116 0.000 2.624 398 T HA -0.259 4.091 4.350 0.001 0.000 0.266 398 T C 0.713 175.333 174.700 -0.134 0.000 1.050 398 T CA 2.101 64.082 62.100 -0.198 0.000 1.163 398 T CB -0.379 68.434 68.868 -0.091 0.000 0.861 398 T HN 0.551 nan 8.240 nan 0.000 0.443 399 N N -0.443 118.216 118.700 -0.069 0.000 2.329 399 N HA 0.384 5.124 4.740 0.001 0.000 0.282 399 N C -2.891 172.601 175.510 -0.029 0.000 1.198 399 N CA -1.822 51.202 53.050 -0.044 0.000 0.790 399 N CB 1.995 40.473 38.487 -0.015 0.000 1.579 399 N HN -0.283 nan 8.380 nan 0.000 0.475 400 P HA -0.282 nan 4.420 nan 0.000 0.216 400 P C 1.548 178.843 177.300 -0.008 0.000 1.167 400 P CA 1.184 64.271 63.100 -0.021 0.000 0.933 400 P CB 0.056 31.746 31.700 -0.017 0.000 0.793 401 L N -0.576 120.648 121.223 0.001 0.000 2.089 401 L HA -0.235 4.106 4.340 0.001 0.000 0.213 401 L C 2.366 179.247 176.870 0.017 0.000 1.079 401 L CA 2.602 57.446 54.840 0.007 0.000 0.758 401 L CB -1.789 40.279 42.059 0.014 0.000 0.891 401 L HN -0.019 nan 8.230 nan 0.000 0.433 402 S N -0.769 114.942 115.700 0.019 0.000 2.351 402 S HA -0.261 4.210 4.470 0.001 0.000 0.220 402 S C 2.304 176.931 174.600 0.045 0.000 1.035 402 S CA 2.357 60.578 58.200 0.034 0.000 1.031 402 S CB -0.989 62.223 63.200 0.020 0.000 0.928 402 S HN 0.875 nan 8.310 nan 0.000 0.433 403 S N 2.039 117.748 115.700 0.015 0.000 2.369 403 S HA -0.207 4.264 4.470 0.001 0.000 0.225 403 S C 1.959 176.588 174.600 0.048 0.000 1.043 403 S CA 1.743 59.952 58.200 0.016 0.000 1.074 403 S CB -1.347 61.843 63.200 -0.016 0.000 0.962 403 S HN 0.575 nan 8.310 nan 0.000 0.433 404 L N 1.932 123.169 121.223 0.024 0.000 1.997 404 L HA -0.122 4.219 4.340 0.001 0.000 0.216 404 L C 2.796 179.684 176.870 0.029 0.000 1.074 404 L CA 2.486 57.336 54.840 0.017 0.000 0.763 404 L CB -0.917 41.141 42.059 -0.002 0.000 0.890 404 L HN 0.420 nan 8.230 nan 0.000 0.434 405 R N -1.570 118.955 120.500 0.041 0.000 2.083 405 R HA -0.244 4.096 4.340 0.001 0.000 0.237 405 R C 2.535 178.867 176.300 0.053 0.000 1.137 405 R CA 1.693 57.817 56.100 0.040 0.000 0.951 405 R CB -0.618 29.712 30.300 0.049 0.000 0.851 405 R HN 0.623 nan 8.270 nan 0.000 0.434 406 H N 0.208 119.274 119.070 -0.008 0.000 2.543 406 H HA -0.088 4.469 4.556 0.001 0.000 0.286 406 H C 1.498 176.808 175.328 -0.031 0.000 1.037 406 H CA 1.377 57.418 56.048 -0.012 0.000 1.250 406 H CB 0.377 30.137 29.762 -0.003 0.000 1.373 406 H HN 0.081 nan 8.280 nan 0.000 0.580 407 K N 0.518 120.951 120.400 0.055 0.000 2.137 407 K HA -0.040 4.280 4.320 0.001 0.000 0.202 407 K C 2.145 178.716 176.600 -0.048 0.000 1.052 407 K CA 0.872 57.161 56.287 0.004 0.000 0.961 407 K CB 0.263 32.774 32.500 0.018 0.000 0.741 407 K HN 0.340 nan 8.250 nan 0.000 0.452 408 R N 0.202 120.677 120.500 -0.041 0.000 2.397 408 R HA 0.170 4.511 4.340 0.001 0.000 0.241 408 R C -0.519 175.745 176.300 -0.059 0.000 0.914 408 R CA -0.312 55.759 56.100 -0.047 0.000 1.071 408 R CB 0.067 30.349 30.300 -0.030 0.000 1.116 408 R HN -0.091 nan 8.270 nan 0.000 0.524 409 R N 1.141 121.588 120.500 -0.088 0.000 2.442 409 R HA 0.244 4.585 4.340 0.001 0.000 0.291 409 R C -0.644 175.602 176.300 -0.090 0.000 1.069 409 R CA -0.498 55.552 56.100 -0.083 0.000 1.022 409 R CB 0.587 30.828 30.300 -0.099 0.000 0.976 409 R HN 0.002 nan 8.270 nan 0.000 0.443 410 I N 2.003 122.543 120.570 -0.049 0.000 2.379 410 I HA 0.003 4.173 4.170 0.001 0.000 0.290 410 I C 0.609 176.707 176.117 -0.032 0.000 1.063 410 I CA 0.439 61.719 61.300 -0.034 0.000 1.351 410 I CB 1.238 39.238 38.000 0.000 0.000 1.410 410 I HN 0.612 nan 8.210 nan 0.000 0.505 411 S N 4.434 120.106 115.700 -0.047 0.000 2.578 411 S HA 0.687 5.158 4.470 0.001 0.000 0.283 411 S C 0.918 175.509 174.600 -0.014 0.000 1.195 411 S CA -0.091 58.086 58.200 -0.039 0.000 1.050 411 S CB 1.485 64.647 63.200 -0.064 0.000 1.012 411 S HN 0.675 nan 8.310 nan 0.000 0.511 412 A N 4.307 127.127 122.820 0.000 0.000 1.859 412 A HA 0.298 4.619 4.320 0.001 0.000 0.212 412 A C 0.422 178.009 177.584 0.005 0.000 1.238 412 A CA 0.380 52.427 52.037 0.017 0.000 0.613 412 A CB -0.822 18.197 19.000 0.031 0.000 0.904 412 A HN 0.646 nan 8.150 nan 0.000 0.457 413 L N -0.523 120.701 121.223 0.001 0.000 2.536 413 L HA 0.343 4.684 4.340 0.001 0.000 0.294 413 L C 1.126 177.985 176.870 -0.019 0.000 1.257 413 L CA 1.395 56.232 54.840 -0.005 0.000 0.850 413 L CB -1.375 40.679 42.059 -0.008 0.000 1.105 413 L HN 0.732 nan 8.230 nan 0.000 0.517 414 G N 1.741 110.531 108.800 -0.016 0.000 2.591 414 G HA2 0.118 4.078 3.960 0.001 0.000 0.104 414 G HA3 0.118 4.078 3.960 0.001 0.000 0.104 414 G C -2.220 172.675 174.900 -0.008 0.000 1.097 414 G CA 0.050 45.136 45.100 -0.024 0.000 1.076 414 G HN 0.323 nan 8.290 nan 0.000 0.485 415 P HA -0.031 nan 4.420 nan 0.000 0.219 415 P C 1.594 178.902 177.300 0.013 0.000 1.147 415 P CA 3.459 66.564 63.100 0.007 0.000 0.821 415 P CB -0.115 31.568 31.700 -0.028 0.000 0.771 416 G N -2.717 106.091 108.800 0.013 0.000 2.299 416 G HA2 -0.292 3.668 3.960 0.001 0.000 0.237 416 G HA3 -0.292 3.668 3.960 0.001 0.000 0.237 416 G C 1.384 176.321 174.900 0.061 0.000 1.027 416 G CA 0.303 45.422 45.100 0.031 0.000 0.619 416 G HN 0.533 nan 8.290 nan 0.000 0.513 417 G N 0.382 109.215 108.800 0.055 0.000 2.432 417 G HA2 0.179 4.139 3.960 0.001 0.000 0.219 417 G HA3 0.179 4.139 3.960 0.001 0.000 0.219 417 G C 1.607 176.598 174.900 0.152 0.000 1.135 417 G CA 1.705 46.871 45.100 0.109 0.000 0.767 417 G HN 0.585 nan 8.290 nan 0.000 0.550 418 L N 0.600 121.862 121.223 0.066 0.000 2.038 418 L HA 0.258 4.599 4.340 0.001 0.000 0.205 418 L C 1.569 178.515 176.870 0.126 0.000 1.151 418 L CA 1.671 56.569 54.840 0.097 0.000 0.799 418 L CB -0.879 41.173 42.059 -0.013 0.000 0.926 418 L HN 0.213 nan 8.230 nan 0.000 0.457 419 T N -1.673 112.927 114.554 0.077 0.000 2.861 419 T HA 0.681 5.031 4.350 0.001 0.000 0.287 419 T C -0.217 174.510 174.700 0.044 0.000 1.003 419 T CA -0.857 61.285 62.100 0.069 0.000 0.977 419 T CB 2.126 71.033 68.868 0.066 0.000 0.996 419 T HN 0.035 nan 8.240 nan 0.000 0.448 420 R N 0.972 121.495 120.500 0.038 0.000 2.608 420 R HA 0.450 4.790 4.340 0.001 0.000 0.255 420 R C 1.339 177.649 176.300 0.018 0.000 1.086 420 R CA -0.795 55.318 56.100 0.022 0.000 1.125 420 R CB 0.638 30.946 30.300 0.013 0.000 1.193 420 R HN 0.853 nan 8.270 nan 0.000 0.553 421 E N 0.939 121.144 120.200 0.009 0.000 2.072 421 E HA -0.110 4.240 4.350 0.001 0.000 0.190 421 E C 1.044 177.647 176.600 0.005 0.000 0.982 421 E CA 1.592 57.996 56.400 0.008 0.000 0.803 421 E CB 0.260 29.961 29.700 0.002 0.000 0.755 421 E HN 0.348 nan 8.360 nan 0.000 0.453 422 R N -0.201 120.297 120.500 -0.004 0.000 2.359 422 R HA 0.391 4.732 4.340 0.001 0.000 0.231 422 R C -0.347 175.944 176.300 -0.014 0.000 0.913 422 R CA 0.323 56.414 56.100 -0.016 0.000 1.075 422 R CB 0.685 30.968 30.300 -0.029 0.000 1.087 422 R HN 0.078 nan 8.270 nan 0.000 0.515 423 A N 0.232 123.054 122.820 0.003 0.000 2.310 423 A HA 0.515 4.836 4.320 0.001 0.000 0.300 423 A C 0.723 178.333 177.584 0.044 0.000 1.269 423 A CA 0.101 52.147 52.037 0.015 0.000 0.909 423 A CB 0.629 19.639 19.000 0.017 0.000 1.144 423 A HN 0.378 nan 8.150 nan 0.000 0.540 424 G N 0.831 109.674 108.800 0.072 0.000 3.408 424 G HA2 0.147 4.107 3.960 0.001 0.000 0.214 424 G HA3 0.147 4.107 3.960 0.001 0.000 0.214 424 G C 0.910 175.942 174.900 0.220 0.000 1.557 424 G CA 0.315 45.489 45.100 0.124 0.000 0.801 424 G HN 0.397 nan 8.290 nan 0.000 0.883 425 F N 3.237 123.191 119.950 0.007 0.000 2.079 425 F HA -0.224 4.303 4.527 0.001 0.000 0.296 425 F C 2.533 178.339 175.800 0.011 0.000 1.084 425 F CA 1.980 59.984 58.000 0.007 0.000 1.236 425 F CB -0.147 38.857 39.000 0.008 0.000 0.984 425 F HN 0.391 nan 8.300 nan 0.000 0.488 426 D N -0.118 120.387 120.400 0.175 0.000 2.123 426 D HA -0.116 4.524 4.640 0.001 0.000 0.200 426 D C 1.920 178.254 176.300 0.056 0.000 0.976 426 D CA 1.839 55.889 54.000 0.083 0.000 0.831 426 D CB -0.495 40.349 40.800 0.074 0.000 0.974 426 D HN 0.241 nan 8.370 nan 0.000 0.469 427 V N 0.508 120.463 119.914 0.069 0.000 2.453 427 V HA -0.088 4.032 4.120 0.001 0.000 0.247 427 V C 2.704 178.822 176.094 0.041 0.000 1.048 427 V CA 1.147 63.483 62.300 0.060 0.000 1.049 427 V CB -0.758 31.105 31.823 0.068 0.000 0.672 427 V HN 0.007 nan 8.190 nan 0.000 0.457 428 R N 0.433 120.960 120.500 0.046 0.000 2.148 428 R HA 0.012 4.352 4.340 0.001 0.000 0.227 428 R C 0.886 177.154 176.300 -0.054 0.000 1.103 428 R CA 0.490 56.600 56.100 0.017 0.000 0.983 428 R CB -0.688 29.657 30.300 0.075 0.000 0.874 428 R HN 0.506 nan 8.270 nan 0.000 0.451 429 D N -0.485 119.871 120.400 -0.073 0.000 2.423 429 D HA -0.044 4.597 4.640 0.001 0.000 0.238 429 D C -0.596 175.604 176.300 -0.166 0.000 1.142 429 D CA 0.141 54.071 54.000 -0.117 0.000 0.884 429 D CB 1.077 41.822 40.800 -0.092 0.000 1.199 429 D HN -0.177 nan 8.370 nan 0.000 0.438 430 V N 4.602 124.395 119.914 -0.202 0.000 2.370 430 V HA 0.012 4.133 4.120 0.001 0.000 0.257 430 V C -0.027 175.945 176.094 -0.204 0.000 1.064 430 V CA -0.167 61.925 62.300 -0.346 0.000 0.975 430 V CB -0.110 31.579 31.823 -0.223 0.000 1.067 430 V HN 0.472 nan 8.190 nan 0.000 0.485 431 H N 6.350 125.284 119.070 -0.228 0.000 2.679 431 H HA 0.317 4.874 4.556 0.001 0.000 0.369 431 H C 1.544 176.970 175.328 0.163 0.000 1.178 431 H CA 0.243 56.351 56.048 0.099 0.000 1.419 431 H CB 0.899 30.795 29.762 0.223 0.000 1.458 431 H HN 0.682 nan 8.280 nan 0.000 0.605 432 R N 1.368 121.465 120.500 -0.672 0.000 2.115 432 R HA -0.170 4.171 4.340 0.001 0.000 0.239 432 R C 1.677 177.932 176.300 -0.075 0.000 1.133 432 R CA 2.199 58.071 56.100 -0.380 0.000 0.935 432 R CB -1.526 28.454 30.300 -0.532 0.000 0.853 432 R HN 0.696 nan 8.270 nan 0.000 0.433 433 T N 0.404 114.946 114.554 -0.020 0.000 2.969 433 T HA -0.122 4.229 4.350 0.001 0.000 0.271 433 T C 1.175 175.934 174.700 0.099 0.000 1.127 433 T CA 1.510 63.670 62.100 0.100 0.000 1.102 433 T CB -0.470 68.489 68.868 0.151 0.000 0.855 433 T HN 0.430 nan 8.240 nan 0.000 0.536 434 H N -0.512 118.621 119.070 0.106 0.000 2.568 434 H HA 0.116 4.673 4.556 0.001 0.000 0.281 434 H C 0.276 175.665 175.328 0.102 0.000 1.028 434 H CA -0.042 56.060 56.048 0.091 0.000 1.199 434 H CB -0.614 29.181 29.762 0.054 0.000 1.352 434 H HN 0.409 nan 8.280 nan 0.000 0.605 435 Y N 0.829 121.161 120.300 0.053 0.000 2.632 435 Y HA 0.118 4.669 4.550 0.001 0.000 0.329 435 Y C 1.644 177.536 175.900 -0.015 0.000 1.174 435 Y CA 0.644 58.752 58.100 0.014 0.000 1.469 435 Y CB 0.038 38.529 38.460 0.051 0.000 1.242 435 Y HN 0.412 nan 8.280 nan 0.000 0.540 436 G N 4.885 113.514 108.800 -0.285 0.000 2.216 436 G HA2 -0.418 3.543 3.960 0.001 0.000 0.269 436 G HA3 -0.418 3.543 3.960 0.001 0.000 0.269 436 G C 1.363 176.207 174.900 -0.093 0.000 0.981 436 G CA 1.210 46.156 45.100 -0.256 0.000 0.658 436 G HN 0.703 nan 8.290 nan 0.000 0.539 437 R N -1.275 119.207 120.500 -0.031 0.000 2.142 437 R HA 0.528 4.868 4.340 0.001 0.000 0.204 437 R C 0.275 176.590 176.300 0.026 0.000 1.059 437 R CA 0.612 56.713 56.100 0.002 0.000 1.055 437 R CB 0.608 30.907 30.300 -0.000 0.000 0.976 437 R HN 0.393 nan 8.270 nan 0.000 0.483 438 I N -0.245 120.362 120.570 0.061 0.000 2.571 438 I HA 0.129 4.300 4.170 0.001 0.000 0.289 438 I C -0.800 175.355 176.117 0.064 0.000 1.115 438 I CA -0.672 60.693 61.300 0.107 0.000 1.045 438 I CB 1.919 40.086 38.000 0.278 0.000 1.238 438 I HN 0.079 nan 8.210 nan 0.000 0.424 439 C N 8.765 128.081 119.300 0.027 0.000 2.611 439 C HA 0.204 4.665 4.460 0.001 0.000 0.416 439 C C -0.988 173.992 174.990 -0.017 0.000 1.366 439 C CA -0.569 58.440 59.018 -0.014 0.000 1.761 439 C CB 0.194 27.959 27.740 0.043 0.000 2.619 439 C HN 0.637 nan 8.230 nan 0.000 0.606 440 P HA 0.118 nan 4.420 nan 0.000 0.258 440 P C 0.336 177.642 177.300 0.010 0.000 1.416 440 P CA 0.611 63.681 63.100 -0.051 0.000 0.927 440 P CB 0.180 31.829 31.700 -0.085 0.000 1.444 441 V N -1.179 118.770 119.914 0.059 0.000 3.485 441 V HA 0.159 4.279 4.120 0.001 0.000 0.280 441 V C 1.777 177.916 176.094 0.075 0.000 1.495 441 V CA 0.253 62.613 62.300 0.100 0.000 1.018 441 V CB 0.140 32.084 31.823 0.201 0.000 0.818 441 V HN 0.026 nan 8.190 nan 0.000 0.436 442 E N 0.963 121.200 120.200 0.062 0.000 2.438 442 E HA 0.041 4.391 4.350 0.001 0.000 0.192 442 E C 0.827 177.448 176.600 0.035 0.000 1.110 442 E CA 0.181 56.611 56.400 0.050 0.000 0.893 442 E CB 0.016 29.743 29.700 0.046 0.000 0.990 442 E HN 0.455 nan 8.360 nan 0.000 0.490 443 T N 0.605 115.177 114.554 0.030 0.000 2.927 443 T HA 0.392 4.742 4.350 0.001 0.000 0.281 443 T C -2.572 172.144 174.700 0.027 0.000 0.998 443 T CA -2.347 59.767 62.100 0.023 0.000 1.019 443 T CB 0.979 69.856 68.868 0.015 0.000 1.061 443 T HN -0.074 nan 8.240 nan 0.000 0.518 444 P HA 0.239 nan 4.420 nan 0.000 0.275 444 P C -0.713 176.602 177.300 0.024 0.000 1.228 444 P CA -0.379 62.737 63.100 0.027 0.000 0.786 444 P CB 0.432 32.147 31.700 0.025 0.000 0.927 445 E N 1.796 122.010 120.200 0.023 0.000 2.152 445 E HA 0.499 4.849 4.350 0.001 0.000 0.285 445 E C 0.460 177.070 176.600 0.016 0.000 1.043 445 E CA 0.271 56.683 56.400 0.020 0.000 0.839 445 E CB 0.666 30.376 29.700 0.018 0.000 1.069 445 E HN 0.728 nan 8.360 nan 0.000 0.399 446 G N 1.393 110.203 108.800 0.017 0.000 2.362 446 G HA2 0.034 3.995 3.960 0.001 0.000 0.656 446 G HA3 0.034 3.995 3.960 0.001 0.000 0.656 446 G C 0.619 175.529 174.900 0.016 0.000 1.376 446 G CA -0.186 44.921 45.100 0.012 0.000 0.971 446 G HN 0.449 nan 8.290 nan 0.000 0.636 447 A N 0.256 123.082 122.820 0.011 0.000 1.942 447 A HA -0.243 4.078 4.320 0.001 0.000 0.227 447 A C 1.450 179.045 177.584 0.017 0.000 1.445 447 A CA 2.452 54.495 52.037 0.012 0.000 0.704 447 A CB -0.557 18.445 19.000 0.002 0.000 0.841 447 A HN 1.065 nan 8.150 nan 0.000 0.495 448 N N 0.028 118.737 118.700 0.014 0.000 2.807 448 N HA 0.408 5.149 4.740 0.001 0.000 0.259 448 N C -0.874 174.649 175.510 0.022 0.000 1.149 448 N CA 0.212 53.272 53.050 0.017 0.000 1.042 448 N CB 0.313 38.807 38.487 0.012 0.000 1.367 448 N HN 0.610 nan 8.380 nan 0.000 0.516 449 I N -1.132 119.456 120.570 0.030 0.000 2.530 449 I HA 0.467 4.638 4.170 0.001 0.000 0.297 449 I C 1.212 177.348 176.117 0.033 0.000 1.011 449 I CA 0.025 61.344 61.300 0.031 0.000 1.107 449 I CB 1.365 39.387 38.000 0.037 0.000 1.285 449 I HN 0.530 nan 8.210 nan 0.000 0.436 450 G N 5.992 114.806 108.800 0.023 0.000 2.480 450 G HA2 -0.283 3.677 3.960 0.001 0.000 0.246 450 G HA3 -0.283 3.677 3.960 0.001 0.000 0.246 450 G C 0.821 175.733 174.900 0.019 0.000 1.073 450 G CA 0.436 45.545 45.100 0.015 0.000 0.643 450 G HN 0.495 nan 8.290 nan 0.000 0.525 451 L N 1.403 122.642 121.223 0.025 0.000 2.549 451 L HA 0.290 4.631 4.340 0.001 0.000 0.229 451 L C 1.444 178.323 176.870 0.015 0.000 1.158 451 L CA 1.421 56.276 54.840 0.025 0.000 0.842 451 L CB -1.135 40.938 42.059 0.023 0.000 0.952 451 L HN 0.708 nan 8.230 nan 0.000 0.452 452 I N -2.931 117.645 120.570 0.010 0.000 2.610 452 I HA 0.464 4.634 4.170 0.001 0.000 0.289 452 I C -0.458 175.660 176.117 0.002 0.000 1.163 452 I CA -0.494 60.805 61.300 -0.002 0.000 1.044 452 I CB 2.173 40.164 38.000 -0.015 0.000 1.251 452 I HN -0.123 nan 8.210 nan 0.000 0.424 453 T N 1.761 116.317 114.554 0.002 0.000 3.105 453 T HA 0.465 4.816 4.350 0.001 0.000 0.321 453 T C -0.430 174.274 174.700 0.006 0.000 1.135 453 T CA -0.389 61.718 62.100 0.012 0.000 1.053 453 T CB 1.780 70.665 68.868 0.029 0.000 1.133 453 T HN 0.640 nan 8.240 nan 0.000 0.463 454 S N 3.560 119.262 115.700 0.005 0.000 2.576 454 S HA 0.499 4.969 4.470 0.001 0.000 0.276 454 S C 0.798 175.406 174.600 0.015 0.000 1.339 454 S CA -0.821 57.379 58.200 -0.000 0.000 1.039 454 S CB -0.009 63.193 63.200 0.002 0.000 0.902 454 S HN 0.862 nan 8.310 nan 0.000 0.516 455 L N 1.254 122.482 121.223 0.008 0.000 2.470 455 L HA 0.719 5.059 4.340 0.001 0.000 0.243 455 L C 0.613 177.496 176.870 0.021 0.000 1.227 455 L CA -0.537 54.313 54.840 0.016 0.000 0.824 455 L CB -0.543 41.519 42.059 0.006 0.000 1.175 455 L HN 0.614 nan 8.230 nan 0.000 0.503 456 A N -0.310 122.525 122.820 0.025 0.000 2.249 456 A HA 0.716 5.037 4.320 0.001 0.000 0.281 456 A C 1.413 179.021 177.584 0.041 0.000 1.127 456 A CA -0.015 52.044 52.037 0.036 0.000 0.833 456 A CB -0.222 18.788 19.000 0.017 0.000 1.140 456 A HN 1.191 nan 8.150 nan 0.000 0.502 457 A N -0.660 122.207 122.820 0.078 0.000 1.862 457 A HA -0.129 4.191 4.320 0.001 0.000 0.214 457 A C 1.561 179.137 177.584 -0.013 0.000 1.228 457 A CA 2.262 54.336 52.037 0.061 0.000 0.665 457 A CB -1.258 17.904 19.000 0.271 0.000 0.845 457 A HN 0.881 nan 8.150 nan 0.000 0.459 458 Y N 0.021 120.330 120.300 0.014 0.000 2.466 458 Y HA 0.502 5.053 4.550 0.001 0.000 0.272 458 Y C 1.506 177.496 175.900 0.149 0.000 1.169 458 Y CA -0.524 57.615 58.100 0.065 0.000 1.285 458 Y CB -0.834 37.628 38.460 0.003 0.000 1.078 458 Y HN 0.378 nan 8.280 nan 0.000 0.523 459 A N 2.336 125.272 122.820 0.194 0.000 2.580 459 A HA 0.202 4.522 4.320 0.001 0.000 0.244 459 A C 0.638 178.277 177.584 0.091 0.000 1.045 459 A CA 0.130 52.247 52.037 0.133 0.000 0.761 459 A CB -0.323 18.710 19.000 0.055 0.000 0.962 459 A HN 0.554 nan 8.150 nan 0.000 0.512 460 R N 1.239 121.762 120.500 0.037 0.000 2.564 460 R HA 0.546 4.887 4.340 0.001 0.000 0.284 460 R C -1.179 175.035 176.300 -0.143 0.000 1.031 460 R CA -0.765 55.257 56.100 -0.130 0.000 0.904 460 R CB 1.111 31.175 30.300 -0.394 0.000 1.199 460 R HN 0.636 nan 8.270 nan 0.000 0.443 461 V N 2.178 122.028 119.914 -0.105 0.000 2.421 461 V HA 0.061 4.182 4.120 0.001 0.000 0.271 461 V C 0.688 176.713 176.094 -0.116 0.000 1.031 461 V CA -0.315 61.934 62.300 -0.086 0.000 1.032 461 V CB -0.040 31.742 31.823 -0.069 0.000 1.009 461 V HN 0.988 nan 8.190 nan 0.000 0.477 462 D N 4.529 124.870 120.400 -0.098 0.000 2.041 462 D HA -0.067 4.574 4.640 0.001 0.000 0.263 462 D C 1.315 177.572 176.300 -0.071 0.000 1.038 462 D CA 1.039 54.976 54.000 -0.104 0.000 0.903 462 D CB 0.125 40.884 40.800 -0.068 0.000 1.013 462 D HN 0.531 nan 8.370 nan 0.000 0.408 463 E N -0.884 119.290 120.200 -0.044 0.000 2.175 463 E HA 0.167 4.518 4.350 0.001 0.000 0.195 463 E C 0.304 176.866 176.600 -0.063 0.000 0.934 463 E CA -0.151 56.224 56.400 -0.043 0.000 0.870 463 E CB 0.580 30.263 29.700 -0.027 0.000 0.838 463 E HN 0.170 nan 8.360 nan 0.000 0.474 464 L N 0.761 121.935 121.223 -0.082 0.000 2.372 464 L HA 0.448 4.788 4.340 0.001 0.000 0.274 464 L C 0.454 177.049 176.870 -0.459 0.000 0.988 464 L CA -0.275 54.439 54.840 -0.210 0.000 0.833 464 L CB 1.500 43.442 42.059 -0.195 0.000 1.236 464 L HN 0.216 nan 8.230 nan 0.000 0.410 465 G N 4.038 112.616 108.800 -0.371 0.000 2.228 465 G HA2 -0.297 3.664 3.960 0.001 0.000 0.291 465 G HA3 -0.297 3.664 3.960 0.001 0.000 0.291 465 G C -0.204 174.407 174.900 -0.482 0.000 0.727 465 G CA 0.666 45.545 45.100 -0.368 0.000 0.835 465 G HN 0.348 nan 8.290 nan 0.000 0.470 466 F N -0.462 119.458 119.950 -0.051 0.000 2.402 466 F HA 0.436 4.963 4.527 0.001 0.000 0.355 466 F C 0.769 176.539 175.800 -0.049 0.000 1.123 466 F CA -1.875 56.094 58.000 -0.053 0.000 1.021 466 F CB 1.243 40.189 39.000 -0.090 0.000 1.160 466 F HN -0.038 nan 8.300 nan 0.000 0.451 467 I N 5.334 125.989 120.570 0.142 0.000 2.494 467 I HA 0.160 4.331 4.170 0.001 0.000 0.289 467 I C 0.446 176.604 176.117 0.068 0.000 1.106 467 I CA -0.002 61.339 61.300 0.069 0.000 1.369 467 I CB 0.084 38.106 38.000 0.036 0.000 1.410 467 I HN 0.536 nan 8.210 nan 0.000 0.523 468 R N 3.792 124.328 120.500 0.060 0.000 2.549 468 R HA 0.588 4.928 4.340 0.001 0.000 0.267 468 R C 0.012 176.354 176.300 0.071 0.000 1.045 468 R CA -0.614 55.520 56.100 0.057 0.000 1.115 468 R CB 1.652 32.005 30.300 0.089 0.000 1.121 468 R HN 0.522 nan 8.270 nan 0.000 0.543 469 T N 1.422 115.933 114.554 -0.072 0.000 2.893 469 T HA 0.417 4.768 4.350 0.001 0.000 0.293 469 T C -2.689 171.712 174.700 -0.497 0.000 1.027 469 T CA -2.365 59.599 62.100 -0.227 0.000 0.988 469 T CB 1.786 70.402 68.868 -0.421 0.000 1.043 469 T HN 0.339 nan 8.240 nan 0.000 0.461 470 P HA 0.247 nan 4.420 nan 0.000 0.271 470 P C -1.429 175.567 177.300 -0.507 0.000 1.216 470 P CA -0.120 62.551 63.100 -0.715 0.000 0.776 470 P CB 0.246 31.439 31.700 -0.847 0.000 0.881 471 Y N 1.448 121.587 120.300 -0.267 0.000 2.396 471 Y HA 0.284 4.835 4.550 0.001 0.000 0.332 471 Y C 0.884 176.818 175.900 0.056 0.000 1.034 471 Y CA -1.253 56.760 58.100 -0.145 0.000 1.057 471 Y CB 2.535 40.795 38.460 -0.334 0.000 1.220 471 Y HN 0.301 nan 8.280 nan 0.000 0.440 472 R N 1.755 122.428 120.500 0.288 0.000 2.459 472 R HA 0.602 4.943 4.340 0.001 0.000 0.281 472 R C -0.513 175.945 176.300 0.264 0.000 1.050 472 R CA -1.036 55.202 56.100 0.230 0.000 1.055 472 R CB 1.327 31.671 30.300 0.073 0.000 1.045 472 R HN 0.548 nan 8.270 nan 0.000 0.495 473 R N 1.242 121.750 120.500 0.013 0.000 2.594 473 R HA 0.228 4.569 4.340 0.001 0.000 0.272 473 R C -0.966 175.139 176.300 -0.325 0.000 1.074 473 R CA -0.263 55.524 56.100 -0.523 0.000 1.105 473 R CB 1.165 31.224 30.300 -0.402 0.000 1.008 473 R HN 0.544 nan 8.270 nan 0.000 0.472 474 V N 6.025 125.691 119.914 -0.414 0.000 2.516 474 V HA 0.322 4.443 4.120 0.001 0.000 0.271 474 V C -1.375 174.598 176.094 -0.201 0.000 0.992 474 V CA -0.700 61.469 62.300 -0.218 0.000 0.857 474 V CB 1.690 33.433 31.823 -0.133 0.000 1.047 474 V HN 0.582 nan 8.190 nan 0.000 0.455 475 V N 7.955 127.774 119.914 -0.157 0.000 2.405 475 V HA 0.740 4.860 4.120 0.001 0.000 0.264 475 V C 1.347 177.398 176.094 -0.072 0.000 1.048 475 V CA 1.106 63.339 62.300 -0.112 0.000 0.966 475 V CB 0.016 31.785 31.823 -0.089 0.000 1.015 475 V HN 1.583 nan 8.190 nan 0.000 0.477 476 G N 4.884 113.648 108.800 -0.059 0.000 2.645 476 G HA2 -0.102 3.858 3.960 0.001 0.000 0.246 476 G HA3 -0.102 3.858 3.960 0.001 0.000 0.246 476 G C 0.693 175.569 174.900 -0.040 0.000 1.322 476 G CA -0.255 44.820 45.100 -0.041 0.000 0.898 476 G HN 1.445 nan 8.290 nan 0.000 0.573 477 G N -0.998 107.784 108.800 -0.030 0.000 3.318 477 G HA2 0.441 4.402 3.960 0.001 0.000 0.230 477 G HA3 0.441 4.402 3.960 0.001 0.000 0.230 477 G C 0.118 175.001 174.900 -0.029 0.000 1.317 477 G CA 0.985 46.070 45.100 -0.026 0.000 1.197 477 G HN 1.249 nan 8.290 nan 0.000 0.514 478 V N 0.818 120.709 119.914 -0.039 0.000 2.378 478 V HA 0.291 4.411 4.120 0.001 0.000 0.288 478 V C -0.197 175.865 176.094 -0.053 0.000 1.016 478 V CA -0.653 61.623 62.300 -0.039 0.000 0.840 478 V CB 2.062 33.863 31.823 -0.036 0.000 0.994 478 V HN -0.004 nan 8.190 nan 0.000 0.431 479 V N 5.928 125.817 119.914 -0.041 0.000 2.498 479 V HA 0.422 4.543 4.120 0.001 0.000 0.279 479 V C 0.589 176.659 176.094 -0.039 0.000 1.048 479 V CA -0.017 62.257 62.300 -0.043 0.000 0.967 479 V CB 1.804 33.613 31.823 -0.024 0.000 0.988 479 V HN 0.981 nan 8.190 nan 0.000 0.473 480 T N 2.638 117.163 114.554 -0.048 0.000 2.948 480 T HA 0.313 4.663 4.350 0.001 0.000 0.285 480 T C 0.212 174.901 174.700 -0.018 0.000 1.019 480 T CA -0.513 61.566 62.100 -0.035 0.000 1.013 480 T CB 1.429 70.269 68.868 -0.048 0.000 1.117 480 T HN 0.588 nan 8.240 nan 0.000 0.533 481 D N 0.692 121.085 120.400 -0.011 0.000 2.358 481 D HA 0.136 4.777 4.640 0.001 0.000 0.224 481 D C 0.188 176.488 176.300 0.001 0.000 1.123 481 D CA 0.101 54.098 54.000 -0.004 0.000 0.833 481 D CB 0.302 41.102 40.800 -0.001 0.000 0.946 481 D HN 0.366 nan 8.370 nan 0.000 0.505 482 E N 0.471 120.673 120.200 0.004 0.000 2.249 482 E HA 0.318 4.669 4.350 0.001 0.000 0.280 482 E C -0.341 176.283 176.600 0.039 0.000 1.016 482 E CA -0.557 55.854 56.400 0.018 0.000 0.830 482 E CB 2.350 32.059 29.700 0.014 0.000 1.081 482 E HN -0.064 nan 8.360 nan 0.000 0.395 483 V N -0.128 119.808 119.914 0.037 0.000 2.735 483 V HA 0.603 4.723 4.120 0.001 0.000 0.310 483 V C -0.415 175.705 176.094 0.043 0.000 1.061 483 V CA -0.912 61.401 62.300 0.022 0.000 0.913 483 V CB 1.868 33.633 31.823 -0.098 0.000 1.005 483 V HN 0.278 nan 8.190 nan 0.000 0.428 484 V N 4.073 124.017 119.914 0.050 0.000 2.325 484 V HA 0.359 4.479 4.120 0.001 0.000 0.280 484 V C -0.776 175.276 176.094 -0.070 0.000 1.016 484 V CA -0.449 61.873 62.300 0.037 0.000 0.818 484 V CB 0.773 32.643 31.823 0.078 0.000 1.019 484 V HN 0.863 nan 8.190 nan 0.000 0.434 485 Y N 5.049 125.314 120.300 -0.059 0.000 2.730 485 Y HA 0.228 4.779 4.550 0.001 0.000 0.354 485 Y C 0.748 176.573 175.900 -0.124 0.000 1.139 485 Y CA 0.582 58.621 58.100 -0.102 0.000 1.516 485 Y CB 0.243 38.669 38.460 -0.057 0.000 1.204 485 Y HN 0.519 nan 8.280 nan 0.000 0.520 486 M N 2.219 121.784 119.600 -0.060 0.000 2.367 486 M HA 0.242 4.723 4.480 0.001 0.000 0.339 486 M C 0.334 176.611 176.300 -0.039 0.000 1.177 486 M CA -0.495 54.757 55.300 -0.080 0.000 1.068 486 M CB 1.277 33.782 32.600 -0.159 0.000 1.602 486 M HN 0.467 nan 8.290 nan 0.000 0.457 487 T N 1.617 116.152 114.554 -0.031 0.000 2.856 487 T HA 0.123 4.474 4.350 0.001 0.000 0.306 487 T C 1.224 175.915 174.700 -0.015 0.000 1.062 487 T CA 0.077 62.149 62.100 -0.047 0.000 1.083 487 T CB 1.129 69.912 68.868 -0.141 0.000 0.984 487 T HN 0.803 nan 8.240 nan 0.000 0.542 488 A N 2.072 124.887 122.820 -0.008 0.000 1.940 488 A HA -0.149 4.171 4.320 0.001 0.000 0.219 488 A C 2.465 180.081 177.584 0.054 0.000 1.176 488 A CA 2.302 54.378 52.037 0.065 0.000 0.631 488 A CB -1.396 17.661 19.000 0.096 0.000 0.814 488 A HN 0.958 nan 8.150 nan 0.000 0.446 489 T N -1.947 112.584 114.554 -0.039 0.000 2.668 489 T HA -0.126 4.225 4.350 0.001 0.000 0.258 489 T C 1.657 176.368 174.700 0.018 0.000 1.051 489 T CA 1.309 63.371 62.100 -0.063 0.000 1.155 489 T CB -0.600 68.245 68.868 -0.038 0.000 0.864 489 T HN 0.572 nan 8.240 nan 0.000 0.413 490 E N 1.273 121.509 120.200 0.060 0.000 2.171 490 E HA -0.216 4.135 4.350 0.001 0.000 0.197 490 E C 2.226 178.990 176.600 0.274 0.000 0.997 490 E CA 1.369 57.874 56.400 0.175 0.000 0.810 490 E CB -0.228 29.575 29.700 0.172 0.000 0.738 490 E HN 0.827 nan 8.360 nan 0.000 0.467 491 E N 1.362 121.670 120.200 0.180 0.000 2.209 491 E HA -0.239 4.112 4.350 0.001 0.000 0.196 491 E C 0.976 177.701 176.600 0.209 0.000 0.993 491 E CA 1.828 58.356 56.400 0.214 0.000 0.819 491 E CB 0.048 29.906 29.700 0.263 0.000 0.745 491 E HN 0.226 nan 8.360 nan 0.000 0.477 492 D N -0.030 120.464 120.400 0.157 0.000 2.183 492 D HA -0.067 4.573 4.640 0.001 0.000 0.203 492 D C 1.736 178.081 176.300 0.075 0.000 0.969 492 D CA 0.784 54.846 54.000 0.103 0.000 0.842 492 D CB -0.066 40.769 40.800 0.057 0.000 0.957 492 D HN 0.158 nan 8.370 nan 0.000 0.484 493 R N -0.584 119.957 120.500 0.069 0.000 2.241 493 R HA -0.051 4.290 4.340 0.001 0.000 0.224 493 R C -0.022 176.124 176.300 -0.257 0.000 1.101 493 R CA 0.719 56.736 56.100 -0.137 0.000 0.995 493 R CB -0.059 30.055 30.300 -0.311 0.000 0.870 493 R HN 0.294 nan 8.270 nan 0.000 0.463 494 Y N -1.235 119.074 120.300 0.015 0.000 2.567 494 Y HA 0.267 4.818 4.550 0.001 0.000 0.333 494 Y C 0.375 176.269 175.900 -0.010 0.000 1.106 494 Y CA -1.120 57.001 58.100 0.034 0.000 1.157 494 Y CB 1.315 39.831 38.460 0.093 0.000 1.277 494 Y HN -0.353 nan 8.280 nan 0.000 0.490 495 T N 3.593 118.250 114.554 0.172 0.000 2.832 495 T HA 0.507 4.857 4.350 0.001 0.000 0.313 495 T C -0.521 174.206 174.700 0.046 0.000 1.035 495 T CA -0.281 61.858 62.100 0.065 0.000 0.950 495 T CB -0.823 68.067 68.868 0.037 0.000 0.984 495 T HN 0.225 nan 8.240 nan 0.000 0.486 496 I N 2.678 123.220 120.570 -0.046 0.000 2.577 496 I HA 0.762 4.933 4.170 0.001 0.000 0.305 496 I C 0.428 176.495 176.117 -0.083 0.000 0.986 496 I CA -0.745 60.481 61.300 -0.124 0.000 1.189 496 I CB 1.404 39.157 38.000 -0.411 0.000 1.355 496 I HN 0.574 nan 8.210 nan 0.000 0.476 497 A N 3.052 125.841 122.820 -0.051 0.000 2.387 497 A HA 0.744 5.064 4.320 0.001 0.000 0.303 497 A C -0.672 176.922 177.584 0.017 0.000 1.145 497 A CA -0.676 51.351 52.037 -0.017 0.000 0.801 497 A CB 1.239 20.234 19.000 -0.008 0.000 1.342 497 A HN 0.568 nan 8.150 nan 0.000 0.440 498 Q N -0.429 119.384 119.800 0.022 0.000 2.317 498 Q HA 0.444 4.785 4.340 0.001 0.000 0.229 498 Q C 1.164 177.183 176.000 0.032 0.000 0.984 498 Q CA 0.428 56.255 55.803 0.040 0.000 0.911 498 Q CB 1.472 30.216 28.738 0.009 0.000 1.217 498 Q HN 0.837 nan 8.270 nan 0.000 0.501 499 A N 2.229 125.070 122.820 0.036 0.000 2.067 499 A HA -0.131 4.190 4.320 0.001 0.000 0.217 499 A C 1.179 178.780 177.584 0.029 0.000 1.156 499 A CA 1.117 53.173 52.037 0.032 0.000 0.683 499 A CB -0.325 18.696 19.000 0.036 0.000 0.808 499 A HN 0.806 nan 8.150 nan 0.000 0.455 500 N N 0.855 119.568 118.700 0.023 0.000 2.573 500 N HA -0.032 4.709 4.740 0.001 0.000 0.187 500 N C 0.501 176.025 175.510 0.023 0.000 1.107 500 N CA 0.974 54.041 53.050 0.028 0.000 0.918 500 N CB -0.617 37.881 38.487 0.018 0.000 0.966 500 N HN 0.528 nan 8.380 nan 0.000 0.448 501 T N -0.362 114.202 114.554 0.017 0.000 2.829 501 T HA 0.144 4.494 4.350 0.001 0.000 0.293 501 T C -2.484 172.225 174.700 0.016 0.000 0.970 501 T CA -1.698 60.410 62.100 0.013 0.000 1.168 501 T CB 0.427 69.300 68.868 0.008 0.000 0.911 501 T HN -0.073 nan 8.240 nan 0.000 0.535 502 P HA 0.265 nan 4.420 nan 0.000 0.260 502 P C -0.881 176.426 177.300 0.013 0.000 1.172 502 P CA -0.230 62.881 63.100 0.017 0.000 0.760 502 P CB 0.232 31.942 31.700 0.016 0.000 0.773 503 L N 3.220 124.452 121.223 0.015 0.000 2.431 503 L HA 0.241 4.582 4.340 0.001 0.000 0.266 503 L C 0.956 177.833 176.870 0.011 0.000 0.978 503 L CA 0.093 54.939 54.840 0.010 0.000 0.822 503 L CB 1.997 44.061 42.059 0.009 0.000 1.310 503 L HN 0.361 nan 8.230 nan 0.000 0.409 504 E N 1.685 121.890 120.200 0.008 0.000 2.474 504 E HA 0.370 4.720 4.350 0.001 0.000 0.195 504 E C 0.815 177.419 176.600 0.007 0.000 1.039 504 E CA 0.638 57.042 56.400 0.008 0.000 0.881 504 E CB 1.175 30.879 29.700 0.006 0.000 0.970 504 E HN 0.901 nan 8.360 nan 0.000 0.486 505 G N 1.728 110.531 108.800 0.004 0.000 3.400 505 G HA2 -0.179 3.781 3.960 0.001 0.000 0.111 505 G HA3 -0.179 3.781 3.960 0.001 0.000 0.111 505 G C 0.471 175.370 174.900 -0.002 0.000 2.370 505 G CA -0.199 44.903 45.100 0.003 0.000 1.153 505 G HN 0.098 nan 8.290 nan 0.000 0.329 506 N N 0.145 118.841 118.700 -0.006 0.000 2.171 506 N HA 0.288 5.029 4.740 0.001 0.000 0.212 506 N C 0.507 176.009 175.510 -0.013 0.000 1.184 506 N CA -0.107 52.936 53.050 -0.012 0.000 0.888 506 N CB 1.112 39.590 38.487 -0.014 0.000 1.038 506 N HN 0.289 nan 8.380 nan 0.000 0.517 507 R N 1.699 122.194 120.500 -0.008 0.000 2.294 507 R HA 0.290 4.631 4.340 0.001 0.000 0.319 507 R C -0.379 175.918 176.300 -0.006 0.000 0.984 507 R CA -0.616 55.479 56.100 -0.008 0.000 0.861 507 R CB 0.549 30.846 30.300 -0.005 0.000 1.104 507 R HN -0.065 nan 8.270 nan 0.000 0.451 508 I N 3.172 123.737 120.570 -0.009 0.000 2.813 508 I HA -0.018 4.152 4.170 0.001 0.000 0.287 508 I C 1.188 177.304 176.117 -0.002 0.000 1.196 508 I CA 0.474 61.771 61.300 -0.006 0.000 1.421 508 I CB 0.578 38.573 38.000 -0.009 0.000 1.365 508 I HN 0.775 nan 8.210 nan 0.000 0.591 509 A N 4.222 127.043 122.820 0.001 0.000 2.288 509 A HA 0.650 4.970 4.320 0.001 0.000 0.216 509 A C 0.833 178.419 177.584 0.003 0.000 1.199 509 A CA 0.447 52.486 52.037 0.004 0.000 0.891 509 A CB 0.197 19.201 19.000 0.007 0.000 0.923 509 A HN 0.817 nan 8.150 nan 0.000 0.500 510 A N -0.390 122.431 122.820 0.002 0.000 2.398 510 A HA 0.605 4.925 4.320 0.001 0.000 0.301 510 A C 0.347 177.931 177.584 -0.001 0.000 1.041 510 A CA -0.285 51.753 52.037 0.002 0.000 0.711 510 A CB 0.781 19.783 19.000 0.004 0.000 1.240 510 A HN 0.209 nan 8.150 nan 0.000 0.420 511 E N 1.319 121.518 120.200 -0.001 0.000 2.035 511 E HA -0.190 4.161 4.350 0.001 0.000 0.204 511 E C 0.236 176.834 176.600 -0.004 0.000 1.025 511 E CA 1.313 57.711 56.400 -0.003 0.000 0.835 511 E CB -0.066 29.632 29.700 -0.002 0.000 0.764 511 E HN 0.619 nan 8.360 nan 0.000 0.457 512 R N 1.267 121.765 120.500 -0.003 0.000 2.891 512 R HA 0.238 4.579 4.340 0.001 0.000 0.248 512 R C -0.879 175.419 176.300 -0.004 0.000 1.439 512 R CA -0.083 56.015 56.100 -0.004 0.000 1.288 512 R CB 0.486 30.784 30.300 -0.003 0.000 1.212 512 R HN -0.027 nan 8.270 nan 0.000 0.605 513 V N 2.734 122.645 119.914 -0.005 0.000 2.715 513 V HA 0.231 4.352 4.120 0.001 0.000 0.310 513 V C 0.420 176.508 176.094 -0.009 0.000 1.054 513 V CA -0.960 61.337 62.300 -0.005 0.000 0.928 513 V CB 2.622 34.443 31.823 -0.003 0.000 1.007 513 V HN 0.327 nan 8.190 nan 0.000 0.437 514 V N 3.355 123.263 119.914 -0.010 0.000 2.740 514 V HA 0.689 4.809 4.120 0.001 0.000 0.303 514 V C 0.468 176.551 176.094 -0.019 0.000 1.054 514 V CA 0.319 62.609 62.300 -0.016 0.000 1.106 514 V CB 0.585 32.397 31.823 -0.018 0.000 0.957 514 V HN 1.116 nan 8.190 nan 0.000 0.486 515 A N 4.884 127.687 122.820 -0.028 0.000 2.610 515 A HA 0.880 5.200 4.320 0.001 0.000 0.291 515 A C -0.811 176.740 177.584 -0.057 0.000 1.086 515 A CA -0.983 51.032 52.037 -0.037 0.000 0.677 515 A CB 1.856 20.839 19.000 -0.028 0.000 1.278 515 A HN 0.677 nan 8.150 nan 0.000 0.414 516 R N 1.059 121.509 120.500 -0.083 0.000 2.521 516 R HA 0.311 4.651 4.340 0.001 0.000 0.295 516 R C 0.031 176.271 176.300 -0.101 0.000 1.183 516 R CA -0.747 55.287 56.100 -0.110 0.000 0.957 516 R CB 1.612 31.804 30.300 -0.179 0.000 1.171 516 R HN 0.779 nan 8.270 nan 0.000 0.494 517 R N 1.515 121.978 120.500 -0.062 0.000 2.196 517 R HA -0.097 4.243 4.340 0.001 0.000 0.227 517 R C 0.548 176.832 176.300 -0.028 0.000 1.108 517 R CA 1.617 57.697 56.100 -0.033 0.000 0.884 517 R CB 0.045 30.330 30.300 -0.025 0.000 0.839 517 R HN 0.214 nan 8.270 nan 0.000 0.431 518 K N -0.753 119.628 120.400 -0.032 0.000 2.723 518 K HA 0.166 4.487 4.320 0.001 0.000 0.229 518 K C -0.431 176.144 176.600 -0.042 0.000 1.022 518 K CA 0.435 56.717 56.287 -0.008 0.000 1.045 518 K CB 1.212 33.730 32.500 0.030 0.000 1.227 518 K HN 0.533 nan 8.250 nan 0.000 0.516 519 G N 2.507 111.249 108.800 -0.096 0.000 2.244 519 G HA2 -0.250 3.710 3.960 0.001 0.000 0.274 519 G HA3 -0.250 3.710 3.960 0.001 0.000 0.274 519 G C -0.048 174.782 174.900 -0.117 0.000 1.002 519 G CA 0.656 45.673 45.100 -0.138 0.000 0.740 519 G HN 0.524 nan 8.290 nan 0.000 0.516 520 E N 0.215 120.357 120.200 -0.096 0.000 2.185 520 E HA 0.374 4.724 4.350 0.001 0.000 0.261 520 E C -2.606 173.949 176.600 -0.075 0.000 0.879 520 E CA -2.132 54.223 56.400 -0.074 0.000 0.756 520 E CB 1.920 31.589 29.700 -0.051 0.000 1.152 520 E HN 0.027 nan 8.360 nan 0.000 0.416 521 P HA 0.042 nan 4.420 nan 0.000 0.265 521 P C -0.851 176.422 177.300 -0.045 0.000 1.222 521 P CA 0.053 63.117 63.100 -0.059 0.000 0.767 521 P CB 0.507 32.179 31.700 -0.048 0.000 0.801 522 V N 5.363 125.251 119.914 -0.043 0.000 2.686 522 V HA 0.295 4.415 4.120 0.001 0.000 0.306 522 V C 0.133 176.211 176.094 -0.027 0.000 1.065 522 V CA -0.785 61.495 62.300 -0.032 0.000 0.894 522 V CB 2.416 34.221 31.823 -0.031 0.000 1.004 522 V HN 0.476 nan 8.190 nan 0.000 0.424 523 I N 5.228 125.786 120.570 -0.020 0.000 2.311 523 I HA 0.386 4.557 4.170 0.001 0.000 0.297 523 I C -0.282 175.826 176.117 -0.014 0.000 1.131 523 I CA 0.388 61.679 61.300 -0.016 0.000 1.289 523 I CB 0.534 38.527 38.000 -0.013 0.000 1.446 523 I HN 0.486 nan 8.210 nan 0.000 0.524 524 V N 6.208 126.113 119.914 -0.014 0.000 3.302 524 V HA 0.489 4.610 4.120 0.001 0.000 0.316 524 V C 0.337 176.425 176.094 -0.010 0.000 1.111 524 V CA -0.324 61.969 62.300 -0.012 0.000 1.029 524 V CB 2.427 34.243 31.823 -0.012 0.000 1.170 524 V HN 0.839 nan 8.190 nan 0.000 0.452 525 S N 2.675 118.370 115.700 -0.009 0.000 2.654 525 S HA 0.395 4.865 4.470 0.001 0.000 0.283 525 S C -2.125 172.469 174.600 -0.009 0.000 1.180 525 S CA -1.085 57.110 58.200 -0.009 0.000 1.021 525 S CB 1.246 64.441 63.200 -0.008 0.000 1.018 525 S HN 0.649 nan 8.310 nan 0.000 0.532 526 P HA -0.126 nan 4.420 nan 0.000 0.221 526 P C 0.631 177.922 177.300 -0.015 0.000 1.145 526 P CA 1.051 64.145 63.100 -0.012 0.000 0.795 526 P CB -0.027 31.666 31.700 -0.010 0.000 0.775 527 E N -0.346 119.846 120.200 -0.013 0.000 2.371 527 E HA -0.080 4.271 4.350 0.001 0.000 0.194 527 E C 1.407 177.999 176.600 -0.013 0.000 1.012 527 E CA 0.618 57.010 56.400 -0.014 0.000 0.860 527 E CB -0.278 29.415 29.700 -0.012 0.000 0.811 527 E HN 0.492 nan 8.360 nan 0.000 0.502 528 E N 0.935 121.128 120.200 -0.010 0.000 2.431 528 E HA 0.052 4.402 4.350 0.001 0.000 0.200 528 E C 0.264 176.864 176.600 0.000 0.000 0.995 528 E CA -0.016 56.381 56.400 -0.005 0.000 0.915 528 E CB 0.539 30.236 29.700 -0.005 0.000 0.930 528 E HN -0.032 nan 8.360 nan 0.000 0.496 529 V N 3.344 123.254 119.914 -0.007 0.000 2.450 529 V HA -0.088 4.033 4.120 0.001 0.000 0.264 529 V C 0.952 177.037 176.094 -0.016 0.000 0.996 529 V CA 0.933 63.229 62.300 -0.006 0.000 1.138 529 V CB -0.287 31.526 31.823 -0.016 0.000 1.051 529 V HN 0.175 nan 8.190 nan 0.000 0.470 530 E N 2.817 123.031 120.200 0.023 0.000 2.170 530 E HA 0.192 4.543 4.350 0.001 0.000 0.191 530 E C -0.156 176.346 176.600 -0.162 0.000 0.981 530 E CA 0.763 57.160 56.400 -0.004 0.000 0.830 530 E CB 0.278 30.086 29.700 0.180 0.000 0.775 530 E HN 0.615 nan 8.360 nan 0.000 0.470 531 F N -0.746 119.169 119.950 -0.058 0.000 2.601 531 F HA 0.428 4.956 4.527 0.001 0.000 0.309 531 F C -0.688 175.014 175.800 -0.163 0.000 1.089 531 F CA -1.246 56.671 58.000 -0.138 0.000 0.940 531 F CB 1.757 40.594 39.000 -0.272 0.000 1.273 531 F HN -0.222 nan 8.300 nan 0.000 0.450 532 M N 1.870 121.550 119.600 0.135 0.000 2.530 532 M HA 0.580 5.060 4.480 0.001 0.000 0.307 532 M C -1.477 174.894 176.300 0.118 0.000 1.161 532 M CA -0.241 55.095 55.300 0.061 0.000 0.903 532 M CB 1.592 34.215 32.600 0.038 0.000 1.711 532 M HN 0.407 nan 8.290 nan 0.000 0.451 533 D N 1.753 122.226 120.400 0.122 0.000 2.400 533 D HA 0.145 4.786 4.640 0.001 0.000 0.238 533 D C 0.941 177.298 176.300 0.096 0.000 1.157 533 D CA -0.007 54.125 54.000 0.220 0.000 0.889 533 D CB 0.988 41.906 40.800 0.196 0.000 1.199 533 D HN 0.484 nan 8.370 nan 0.000 0.436 534 V N 0.323 120.246 119.914 0.015 0.000 2.488 534 V HA -0.000 4.120 4.120 0.001 0.000 0.246 534 V C 0.429 176.440 176.094 -0.138 0.000 1.046 534 V CA 1.374 63.602 62.300 -0.120 0.000 1.053 534 V CB -0.390 31.250 31.823 -0.304 0.000 0.679 534 V HN 0.726 nan 8.190 nan 0.000 0.458 535 S N -2.938 112.689 115.700 -0.122 0.000 2.556 535 S HA 0.367 4.838 4.470 0.001 0.000 0.280 535 S C -2.590 172.030 174.600 0.033 0.000 1.141 535 S CA -0.824 57.342 58.200 -0.056 0.000 0.883 535 S CB 1.490 64.619 63.200 -0.119 0.000 1.103 535 S HN -0.091 nan 8.310 nan 0.000 0.453 536 P HA -0.088 nan 4.420 nan 0.000 0.219 536 P C 0.899 178.426 177.300 0.378 0.000 1.146 536 P CA 1.213 64.468 63.100 0.258 0.000 0.808 536 P CB 0.040 31.971 31.700 0.385 0.000 0.779 537 K N 0.222 120.774 120.400 0.254 0.000 2.063 537 K HA -0.200 4.120 4.320 0.001 0.000 0.208 537 K C 2.097 178.865 176.600 0.279 0.000 1.048 537 K CA 1.556 57.993 56.287 0.250 0.000 0.928 537 K CB -1.154 31.466 32.500 0.200 0.000 0.713 537 K HN 0.392 nan 8.250 nan 0.000 0.442 538 Q N 0.387 120.281 119.800 0.156 0.000 2.443 538 Q HA -0.096 4.244 4.340 0.001 0.000 0.213 538 Q C 1.111 177.077 176.000 -0.057 0.000 0.982 538 Q CA 1.256 57.097 55.803 0.063 0.000 0.894 538 Q CB -0.149 28.517 28.738 -0.119 0.000 0.947 538 Q HN 0.067 nan 8.270 nan 0.000 0.480 539 V N -0.048 119.866 119.914 0.000 0.000 3.217 539 V HA 0.065 4.185 4.120 0.001 0.000 0.264 539 V C 0.233 176.045 176.094 -0.470 0.000 1.135 539 V CA 0.780 62.921 62.300 -0.264 0.000 1.142 539 V CB -0.772 30.990 31.823 -0.101 0.000 0.754 539 V HN 0.230 nan 8.190 nan 0.000 0.484 540 F N -0.882 119.091 119.950 0.038 0.000 2.691 540 F HA 0.593 5.121 4.527 0.001 0.000 0.334 540 F C 0.631 176.445 175.800 0.025 0.000 1.107 540 F CA -0.904 57.119 58.000 0.039 0.000 0.991 540 F CB 1.139 40.160 39.000 0.035 0.000 1.400 540 F HN -0.174 nan 8.300 nan 0.000 0.503 541 S N -0.403 115.435 115.700 0.230 0.000 2.652 541 S HA 0.382 4.852 4.470 0.001 0.000 0.270 541 S C 0.712 175.361 174.600 0.083 0.000 1.243 541 S CA -0.646 57.623 58.200 0.115 0.000 0.999 541 S CB 1.262 64.515 63.200 0.088 0.000 0.973 541 S HN 0.405 nan 8.310 nan 0.000 0.544 542 V N 1.852 121.783 119.914 0.029 0.000 2.252 542 V HA -0.219 3.902 4.120 0.001 0.000 0.249 542 V C 2.815 178.900 176.094 -0.015 0.000 1.056 542 V CA 2.531 64.826 62.300 -0.009 0.000 1.022 542 V CB -1.569 30.235 31.823 -0.032 0.000 0.641 542 V HN 1.002 nan 8.190 nan 0.000 0.445 543 N N 0.124 118.823 118.700 -0.001 0.000 2.094 543 N HA -0.194 4.546 4.740 0.001 0.000 0.191 543 N C 1.755 177.254 175.510 -0.018 0.000 1.023 543 N CA 2.467 55.515 53.050 -0.004 0.000 0.857 543 N CB -0.396 38.101 38.487 0.017 0.000 1.013 543 N HN 0.516 nan 8.380 nan 0.000 0.426 544 T N -0.037 114.519 114.554 0.003 0.000 2.851 544 T HA 0.008 4.358 4.350 0.001 0.000 0.262 544 T C 1.513 176.136 174.700 -0.129 0.000 1.043 544 T CA 0.628 62.706 62.100 -0.037 0.000 1.140 544 T CB -0.382 68.517 68.868 0.051 0.000 0.872 544 T HN 0.250 nan 8.240 nan 0.000 0.446 545 N N 1.457 120.101 118.700 -0.093 0.000 2.182 545 N HA -0.081 4.659 4.740 0.001 0.000 0.192 545 N C 1.389 176.788 175.510 -0.186 0.000 1.007 545 N CA 0.883 53.849 53.050 -0.140 0.000 0.873 545 N CB -0.585 37.866 38.487 -0.059 0.000 0.998 545 N HN 0.359 nan 8.380 nan 0.000 0.436 546 L N 0.014 121.140 121.223 -0.161 0.000 2.633 546 L HA 0.030 4.370 4.340 0.001 0.000 0.235 546 L C 0.339 177.062 176.870 -0.246 0.000 1.163 546 L CA 0.228 54.954 54.840 -0.191 0.000 0.859 546 L CB -0.211 41.760 42.059 -0.148 0.000 0.973 546 L HN 0.097 nan 8.230 nan 0.000 0.451 547 I N 0.181 120.590 120.570 -0.269 0.000 2.325 547 I HA 0.105 4.276 4.170 0.001 0.000 0.291 547 I C -1.200 174.703 176.117 -0.357 0.000 1.019 547 I CA -1.854 59.251 61.300 -0.325 0.000 1.302 547 I CB 1.382 39.205 38.000 -0.295 0.000 1.401 547 I HN -0.137 nan 8.210 nan 0.000 0.485 548 P HA -0.198 nan 4.420 nan 0.000 0.203 548 P C -0.008 176.887 177.300 -0.675 0.000 1.087 548 P CA 1.719 64.490 63.100 -0.549 0.000 0.952 548 P CB 0.108 31.557 31.700 -0.418 0.000 0.758 549 F N -1.406 118.518 119.950 -0.044 0.000 2.508 549 F HA 0.241 4.768 4.527 0.001 0.000 0.329 549 F C 1.379 176.977 175.800 -0.337 0.000 1.198 549 F CA -0.429 57.420 58.000 -0.253 0.000 1.268 549 F CB -0.675 38.212 39.000 -0.189 0.000 1.584 549 F HN -0.153 nan 8.300 nan 0.000 0.570 550 L N 0.950 121.997 121.223 -0.293 0.000 2.261 550 L HA -0.158 4.182 4.340 0.001 0.000 0.216 550 L C 1.946 178.592 176.870 -0.373 0.000 1.114 550 L CA 1.801 56.441 54.840 -0.335 0.000 0.777 550 L CB -0.450 41.266 42.059 -0.573 0.000 0.910 550 L HN 0.391 nan 8.230 nan 0.000 0.440 551 E N -1.499 118.399 120.200 -0.504 0.000 2.409 551 E HA -0.154 4.197 4.350 0.001 0.000 0.198 551 E C 0.464 177.018 176.600 -0.077 0.000 1.024 551 E CA 0.763 56.988 56.400 -0.293 0.000 0.861 551 E CB -0.176 29.391 29.700 -0.223 0.000 0.788 551 E HN 0.671 nan 8.360 nan 0.000 0.521 552 H N 0.386 119.475 119.070 0.031 0.000 2.512 552 H HA 0.305 4.861 4.556 0.001 0.000 0.276 552 H C -0.680 174.635 175.328 -0.022 0.000 1.126 552 H CA -0.342 55.705 56.048 -0.001 0.000 1.060 552 H CB 0.100 29.833 29.762 -0.049 0.000 1.646 552 H HN 0.017 nan 8.280 nan 0.000 0.571 553 D N 0.414 120.850 120.400 0.061 0.000 2.575 553 D HA 0.135 4.776 4.640 0.001 0.000 0.236 553 D C -0.342 175.989 176.300 0.052 0.000 1.075 553 D CA -0.618 53.408 54.000 0.042 0.000 0.860 553 D CB 2.107 42.942 40.800 0.058 0.000 1.475 553 D HN -0.034 nan 8.370 nan 0.000 0.474 554 D N 0.137 120.564 120.400 0.045 0.000 2.351 554 D HA 0.324 4.964 4.640 0.001 0.000 0.251 554 D C 1.121 177.454 176.300 0.055 0.000 1.137 554 D CA -0.306 53.723 54.000 0.049 0.000 0.879 554 D CB 1.382 42.202 40.800 0.033 0.000 1.181 554 D HN 0.346 nan 8.370 nan 0.000 0.448 555 A N 4.613 127.474 122.820 0.069 0.000 1.985 555 A HA -0.319 4.002 4.320 0.001 0.000 0.223 555 A C 1.994 179.614 177.584 0.059 0.000 1.189 555 A CA 1.900 53.984 52.037 0.079 0.000 0.658 555 A CB -0.653 18.396 19.000 0.081 0.000 0.820 555 A HN 0.819 nan 8.150 nan 0.000 0.464 556 N N -1.342 117.385 118.700 0.044 0.000 2.109 556 N HA -0.146 4.594 4.740 0.001 0.000 0.188 556 N C 1.908 177.439 175.510 0.036 0.000 1.034 556 N CA 1.247 54.318 53.050 0.035 0.000 0.846 556 N CB -0.069 38.433 38.487 0.025 0.000 1.010 556 N HN 0.294 nan 8.380 nan 0.000 0.425 557 R N 0.697 121.218 120.500 0.035 0.000 2.235 557 R HA 0.137 4.478 4.340 0.001 0.000 0.213 557 R C 1.830 178.160 176.300 0.049 0.000 1.059 557 R CA 0.732 56.854 56.100 0.036 0.000 0.997 557 R CB -0.457 29.861 30.300 0.030 0.000 0.884 557 R HN 0.288 nan 8.270 nan 0.000 0.462 558 A N 0.032 122.884 122.820 0.053 0.000 1.968 558 A HA -0.066 4.255 4.320 0.001 0.000 0.217 558 A C 2.023 179.635 177.584 0.047 0.000 1.169 558 A CA 0.780 52.849 52.037 0.054 0.000 0.638 558 A CB -0.427 18.604 19.000 0.052 0.000 0.812 558 A HN 0.348 nan 8.150 nan 0.000 0.446 559 L N -0.211 121.042 121.223 0.050 0.000 2.017 559 L HA -0.218 4.123 4.340 0.001 0.000 0.208 559 L C 2.676 179.569 176.870 0.039 0.000 1.073 559 L CA 1.984 56.852 54.840 0.047 0.000 0.745 559 L CB -0.298 41.788 42.059 0.044 0.000 0.894 559 L HN 0.518 nan 8.230 nan 0.000 0.432 560 M N -1.201 118.421 119.600 0.036 0.000 2.202 560 M HA -0.095 4.385 4.480 0.001 0.000 0.262 560 M C 2.102 178.423 176.300 0.034 0.000 1.063 560 M CA 1.530 56.850 55.300 0.033 0.000 1.097 560 M CB -1.398 31.220 32.600 0.029 0.000 1.382 560 M HN 0.336 nan 8.290 nan 0.000 0.413 561 G N 1.640 110.461 108.800 0.035 0.000 2.736 561 G HA2 -0.243 3.717 3.960 0.001 0.000 0.214 561 G HA3 -0.243 3.717 3.960 0.001 0.000 0.214 561 G C 1.589 176.500 174.900 0.018 0.000 1.327 561 G CA 1.613 46.729 45.100 0.025 0.000 0.818 561 G HN 0.555 nan 8.290 nan 0.000 0.611 562 S N 1.401 117.108 115.700 0.011 0.000 2.409 562 S HA -0.299 4.171 4.470 0.001 0.000 0.237 562 S C 2.078 176.696 174.600 0.030 0.000 1.060 562 S CA 1.907 60.116 58.200 0.015 0.000 1.052 562 S CB -0.589 62.627 63.200 0.026 0.000 0.871 562 S HN 0.407 nan 8.310 nan 0.000 0.465 563 N N 1.973 120.695 118.700 0.036 0.000 2.171 563 N HA 0.026 4.767 4.740 0.001 0.000 0.184 563 N C 1.836 177.374 175.510 0.046 0.000 1.021 563 N CA 1.569 54.644 53.050 0.042 0.000 0.854 563 N CB -0.612 37.900 38.487 0.041 0.000 0.994 563 N HN 0.777 nan 8.380 nan 0.000 0.426 564 M N 0.249 119.874 119.600 0.042 0.000 2.149 564 M HA -0.147 4.333 4.480 0.001 0.000 0.261 564 M C 1.576 177.909 176.300 0.053 0.000 1.064 564 M CA 1.616 56.942 55.300 0.044 0.000 1.102 564 M CB -0.447 32.174 32.600 0.035 0.000 1.369 564 M HN -0.006 nan 8.290 nan 0.000 0.408 565 Q N 0.396 120.229 119.800 0.055 0.000 2.135 565 Q HA -0.134 4.207 4.340 0.001 0.000 0.204 565 Q C 1.998 178.035 176.000 0.062 0.000 0.981 565 Q CA 2.224 58.069 55.803 0.069 0.000 0.856 565 Q CB -0.737 28.035 28.738 0.058 0.000 0.902 565 Q HN 0.730 nan 8.270 nan 0.000 0.425 566 T N 1.169 115.758 114.554 0.058 0.000 3.051 566 T HA -0.093 4.257 4.350 0.001 0.000 0.269 566 T C 1.304 176.047 174.700 0.072 0.000 1.127 566 T CA 0.857 62.994 62.100 0.062 0.000 1.107 566 T CB -0.016 68.894 68.868 0.069 0.000 0.898 566 T HN 0.341 nan 8.240 nan 0.000 0.517 567 Q N 0.098 119.945 119.800 0.078 0.000 2.217 567 Q HA 0.431 4.771 4.340 0.001 0.000 0.217 567 Q C 0.642 176.699 176.000 0.094 0.000 0.844 567 Q CA -0.399 55.467 55.803 0.105 0.000 0.957 567 Q CB 0.571 29.374 28.738 0.108 0.000 1.127 567 Q HN 0.446 nan 8.270 nan 0.000 0.503 568 A N 1.341 124.201 122.820 0.066 0.000 2.540 568 A HA 0.214 4.535 4.320 0.001 0.000 0.239 568 A C -0.130 177.475 177.584 0.035 0.000 1.061 568 A CA 0.057 52.124 52.037 0.051 0.000 0.758 568 A CB 0.480 19.517 19.000 0.061 0.000 0.991 568 A HN 0.149 nan 8.150 nan 0.000 0.502 569 V N 5.178 125.110 119.914 0.030 0.000 2.435 569 V HA 0.488 4.608 4.120 0.001 0.000 0.290 569 V C -2.385 173.699 176.094 -0.016 0.000 1.030 569 V CA -2.314 59.990 62.300 0.007 0.000 0.881 569 V CB 1.740 33.586 31.823 0.039 0.000 0.983 569 V HN 0.785 nan 8.190 nan 0.000 0.445 570 P HA 0.183 nan 4.420 nan 0.000 0.265 570 P C -1.032 176.237 177.300 -0.051 0.000 1.222 570 P CA -0.044 63.031 63.100 -0.042 0.000 0.767 570 P CB 0.303 31.974 31.700 -0.049 0.000 0.801 571 L N 4.461 125.628 121.223 -0.093 0.000 2.334 571 L HA 0.257 4.597 4.340 0.001 0.000 0.277 571 L C 1.755 178.571 176.870 -0.091 0.000 1.075 571 L CA 0.006 54.768 54.840 -0.129 0.000 0.804 571 L CB 0.376 42.259 42.059 -0.294 0.000 1.174 571 L HN 0.366 nan 8.230 nan 0.000 0.438 572 I N 0.159 120.703 120.570 -0.045 0.000 2.185 572 I HA -0.245 3.926 4.170 0.001 0.000 0.246 572 I C 1.227 177.324 176.117 -0.034 0.000 1.088 572 I CA 1.257 62.556 61.300 -0.002 0.000 1.347 572 I CB -0.453 37.568 38.000 0.036 0.000 1.041 572 I HN 0.537 nan 8.210 nan 0.000 0.415 573 R N 1.982 122.429 120.500 -0.089 0.000 2.287 573 R HA 0.544 4.885 4.340 0.001 0.000 0.327 573 R C -0.702 175.477 176.300 -0.202 0.000 1.109 573 R CA -0.211 55.812 56.100 -0.129 0.000 1.013 573 R CB 0.605 30.817 30.300 -0.147 0.000 1.126 573 R HN 0.261 nan 8.270 nan 0.000 0.503 574 A N 4.285 127.030 122.820 -0.124 0.000 2.290 574 A HA 0.383 4.704 4.320 0.001 0.000 0.310 574 A C -0.740 176.800 177.584 -0.073 0.000 1.202 574 A CA -0.495 51.482 52.037 -0.099 0.000 0.837 574 A CB 0.909 19.880 19.000 -0.049 0.000 1.139 574 A HN 0.748 nan 8.150 nan 0.000 0.509 575 Q N 1.171 120.943 119.800 -0.046 0.000 2.285 575 Q HA 0.562 4.903 4.340 0.001 0.000 0.269 575 Q C -0.343 175.728 176.000 0.118 0.000 1.030 575 Q CA -0.740 55.071 55.803 0.013 0.000 0.788 575 Q CB 2.331 31.045 28.738 -0.040 0.000 1.266 575 Q HN 0.942 nan 8.270 nan 0.000 0.438 576 A N 3.449 126.339 122.820 0.118 0.000 2.386 576 A HA 0.463 4.784 4.320 0.001 0.000 0.246 576 A C -2.278 175.315 177.584 0.015 0.000 1.089 576 A CA -0.934 51.152 52.037 0.083 0.000 0.790 576 A CB -0.318 18.797 19.000 0.191 0.000 1.042 576 A HN 0.373 nan 8.150 nan 0.000 0.497 577 P HA 0.100 nan 4.420 nan 0.000 0.269 577 P C 1.194 178.473 177.300 -0.035 0.000 1.209 577 P CA 0.151 63.060 63.100 -0.319 0.000 0.776 577 P CB 0.476 31.681 31.700 -0.825 0.000 0.876 578 V N 1.824 121.800 119.914 0.104 0.000 2.568 578 V HA -0.090 4.030 4.120 0.001 0.000 0.253 578 V C 0.827 177.042 176.094 0.202 0.000 1.072 578 V CA 1.332 63.736 62.300 0.173 0.000 1.084 578 V CB -0.706 31.255 31.823 0.231 0.000 0.676 578 V HN 0.354 nan 8.190 nan 0.000 0.469 579 V N 1.647 121.627 119.914 0.109 0.000 2.482 579 V HA 0.638 4.758 4.120 0.001 0.000 0.295 579 V C -0.495 175.532 176.094 -0.111 0.000 1.026 579 V CA -0.664 61.684 62.300 0.081 0.000 0.856 579 V CB 1.678 33.568 31.823 0.113 0.000 1.001 579 V HN 0.441 nan 8.190 nan 0.000 0.424 580 M N 4.044 123.565 119.600 -0.132 0.000 2.849 580 M HA 0.470 4.950 4.480 0.001 0.000 0.299 580 M C 1.144 177.307 176.300 -0.229 0.000 1.223 580 M CA -0.190 54.965 55.300 -0.242 0.000 0.856 580 M CB 2.304 34.728 32.600 -0.293 0.000 1.680 580 M HN 0.711 nan 8.290 nan 0.000 0.506 581 T N -4.026 110.380 114.554 -0.246 0.000 3.018 581 T HA 0.390 4.740 4.350 0.001 0.000 0.246 581 T C 1.064 175.666 174.700 -0.163 0.000 1.026 581 T CA 0.662 62.632 62.100 -0.217 0.000 1.081 581 T CB 0.494 69.223 68.868 -0.232 0.000 0.970 581 T HN 0.995 nan 8.240 nan 0.000 0.475 582 G N 0.530 109.222 108.800 -0.180 0.000 2.559 582 G HA2 -0.023 3.937 3.960 0.001 0.000 0.202 582 G HA3 -0.023 3.937 3.960 0.001 0.000 0.202 582 G C 0.343 175.161 174.900 -0.137 0.000 0.992 582 G CA 0.022 45.034 45.100 -0.148 0.000 0.764 582 G HN 0.359 nan 8.290 nan 0.000 0.525 583 L N 1.714 122.848 121.223 -0.148 0.000 2.858 583 L HA 0.341 4.681 4.340 0.001 0.000 0.251 583 L C 2.213 179.006 176.870 -0.128 0.000 1.149 583 L CA 0.717 55.486 54.840 -0.119 0.000 0.955 583 L CB 0.397 42.397 42.059 -0.098 0.000 1.289 583 L HN 0.211 nan 8.230 nan 0.000 0.542 584 E N 0.758 120.850 120.200 -0.179 0.000 2.114 584 E HA -0.274 4.077 4.350 0.001 0.000 0.199 584 E C 1.400 177.957 176.600 -0.072 0.000 1.008 584 E CA 1.688 57.994 56.400 -0.156 0.000 0.810 584 E CB -0.232 29.317 29.700 -0.252 0.000 0.739 584 E HN 0.595 nan 8.360 nan 0.000 0.456 585 E N 0.710 120.857 120.200 -0.089 0.000 2.017 585 E HA -0.107 4.243 4.350 0.001 0.000 0.193 585 E C 2.327 178.944 176.600 0.028 0.000 0.997 585 E CA 0.466 56.905 56.400 0.064 0.000 0.804 585 E CB -0.160 29.581 29.700 0.069 0.000 0.757 585 E HN 0.034 nan 8.360 nan 0.000 0.448 586 R N 0.985 121.465 120.500 -0.033 0.000 2.117 586 R HA -0.143 4.197 4.340 0.001 0.000 0.243 586 R C 2.333 178.593 176.300 -0.066 0.000 1.143 586 R CA 0.848 56.911 56.100 -0.062 0.000 0.968 586 R CB -0.666 29.585 30.300 -0.083 0.000 0.863 586 R HN 0.126 nan 8.270 nan 0.000 0.444 587 V N 0.700 120.583 119.914 -0.051 0.000 2.237 587 V HA -0.236 3.885 4.120 0.001 0.000 0.245 587 V C 2.506 178.585 176.094 -0.025 0.000 1.046 587 V CA 2.003 64.278 62.300 -0.042 0.000 1.007 587 V CB -0.714 31.087 31.823 -0.037 0.000 0.638 587 V HN 0.300 nan 8.190 nan 0.000 0.445 588 V N -0.809 119.111 119.914 0.010 0.000 2.759 588 V HA -0.183 3.937 4.120 0.001 0.000 0.256 588 V C 2.325 178.423 176.094 0.007 0.000 1.080 588 V CA 2.238 64.559 62.300 0.035 0.000 1.101 588 V CB -0.832 31.051 31.823 0.100 0.000 0.698 588 V HN 0.459 nan 8.190 nan 0.000 0.477 589 R N 0.970 121.431 120.500 -0.065 0.000 2.048 589 R HA -0.022 4.319 4.340 0.001 0.000 0.224 589 R C 2.043 178.225 176.300 -0.197 0.000 1.163 589 R CA 2.032 57.984 56.100 -0.246 0.000 0.956 589 R CB -0.651 29.463 30.300 -0.311 0.000 0.849 589 R HN 0.516 nan 8.270 nan 0.000 0.435 590 D N 0.293 120.610 120.400 -0.139 0.000 2.178 590 D HA -0.101 4.540 4.640 0.001 0.000 0.201 590 D C 0.397 176.650 176.300 -0.078 0.000 0.980 590 D CA 1.379 55.313 54.000 -0.109 0.000 0.842 590 D CB 0.000 40.742 40.800 -0.096 0.000 0.948 590 D HN 0.290 nan 8.370 nan 0.000 0.472 591 S N -0.209 115.454 115.700 -0.062 0.000 2.603 591 S HA 0.145 4.616 4.470 0.001 0.000 0.268 591 S C 0.272 174.848 174.600 -0.040 0.000 1.317 591 S CA -0.697 57.478 58.200 -0.040 0.000 1.012 591 S CB 0.939 64.124 63.200 -0.026 0.000 0.926 591 S HN 0.161 nan 8.310 nan 0.000 0.539 592 L N 2.303 123.507 121.223 -0.032 0.000 2.990 592 L HA 0.312 4.653 4.340 0.001 0.000 0.231 592 L C 1.477 178.337 176.870 -0.016 0.000 1.341 592 L CA -0.347 54.475 54.840 -0.029 0.000 1.208 592 L CB -0.719 41.319 42.059 -0.035 0.000 1.571 592 L HN 1.015 nan 8.230 nan 0.000 0.453 593 A N 0.656 123.479 122.820 0.004 0.000 1.823 593 A HA 0.261 4.582 4.320 0.001 0.000 0.214 593 A C 1.366 178.968 177.584 0.030 0.000 1.225 593 A CA 0.955 52.997 52.037 0.009 0.000 0.604 593 A CB -0.248 18.765 19.000 0.022 0.000 0.878 593 A HN 0.459 nan 8.150 nan 0.000 0.450 594 A N -1.233 121.649 122.820 0.104 0.000 2.296 594 A HA 0.550 4.870 4.320 0.001 0.000 0.264 594 A C -0.457 177.219 177.584 0.154 0.000 1.097 594 A CA -0.223 51.881 52.037 0.113 0.000 0.811 594 A CB 0.170 19.270 19.000 0.166 0.000 1.072 594 A HN 0.770 nan 8.150 nan 0.000 0.495 595 L N 0.693 121.930 121.223 0.023 0.000 2.305 595 L HA 0.578 4.919 4.340 0.001 0.000 0.284 595 L C -1.394 175.455 176.870 -0.035 0.000 1.013 595 L CA -0.157 54.679 54.840 -0.007 0.000 0.819 595 L CB 0.658 42.621 42.059 -0.160 0.000 1.227 595 L HN 0.600 nan 8.230 nan 0.000 0.417 596 Y N 2.689 122.949 120.300 -0.068 0.000 2.453 596 Y HA 0.690 5.241 4.550 0.001 0.000 0.326 596 Y C 0.563 176.517 175.900 0.089 0.000 1.186 596 Y CA -0.673 57.431 58.100 0.006 0.000 1.200 596 Y CB 1.491 39.951 38.460 -0.001 0.000 1.247 596 Y HN 0.677 nan 8.280 nan 0.000 0.482 597 A N 2.244 125.201 122.820 0.228 0.000 2.354 597 A HA 0.214 4.534 4.320 0.001 0.000 0.281 597 A C 0.972 178.658 177.584 0.170 0.000 1.174 597 A CA -0.402 51.807 52.037 0.287 0.000 0.828 597 A CB -0.022 19.112 19.000 0.223 0.000 1.099 597 A HN 0.976 nan 8.150 nan 0.000 0.516 598 E N 1.759 122.040 120.200 0.134 0.000 2.000 598 E HA -0.165 4.186 4.350 0.001 0.000 0.199 598 E C 0.612 177.042 176.600 -0.283 0.000 1.011 598 E CA 1.430 57.777 56.400 -0.088 0.000 0.836 598 E CB 0.127 29.750 29.700 -0.128 0.000 0.778 598 E HN 0.863 nan 8.360 nan 0.000 0.462 599 E N 0.205 119.971 120.200 -0.722 0.000 2.316 599 E HA 0.103 4.453 4.350 0.001 0.000 0.258 599 E C -1.167 175.215 176.600 -0.363 0.000 0.952 599 E CA -0.809 55.293 56.400 -0.497 0.000 0.818 599 E CB 1.247 30.653 29.700 -0.489 0.000 1.260 599 E HN -0.072 nan 8.360 nan 0.000 0.416 600 D N 0.020 120.347 120.400 -0.123 0.000 2.399 600 D HA 0.391 5.031 4.640 0.001 0.000 0.241 600 D C 0.127 176.513 176.300 0.143 0.000 1.133 600 D CA 0.638 54.650 54.000 0.020 0.000 0.890 600 D CB 1.356 42.167 40.800 0.018 0.000 1.201 600 D HN 0.599 nan 8.370 nan 0.000 0.432 601 G N 0.189 109.106 108.800 0.195 0.000 2.364 601 G HA2 0.291 4.252 3.960 0.001 0.000 0.286 601 G HA3 0.291 4.252 3.960 0.001 0.000 0.286 601 G C -1.438 173.527 174.900 0.108 0.000 1.241 601 G CA -0.582 44.640 45.100 0.204 0.000 0.887 601 G HN 0.409 nan 8.290 nan 0.000 0.484 602 E N -1.271 118.958 120.200 0.048 0.000 2.359 602 E HA 0.636 4.986 4.350 0.001 0.000 0.266 602 E C -1.135 175.443 176.600 -0.037 0.000 0.920 602 E CA -0.689 55.716 56.400 0.007 0.000 0.788 602 E CB 2.928 32.626 29.700 -0.004 0.000 1.279 602 E HN 0.270 nan 8.360 nan 0.000 0.438 603 V N 1.929 121.822 119.914 -0.034 0.000 2.481 603 V HA 0.336 4.456 4.120 0.001 0.000 0.286 603 V C 0.654 176.713 176.094 -0.058 0.000 1.042 603 V CA 0.353 62.621 62.300 -0.055 0.000 0.928 603 V CB 1.181 32.986 31.823 -0.031 0.000 0.986 603 V HN 0.895 nan 8.190 nan 0.000 0.462 604 A N 5.045 127.819 122.820 -0.078 0.000 1.941 604 A HA 0.362 4.683 4.320 0.001 0.000 0.214 604 A C 0.685 178.239 177.584 -0.050 0.000 1.368 604 A CA 0.574 52.571 52.037 -0.067 0.000 0.651 604 A CB 0.066 19.014 19.000 -0.086 0.000 1.064 604 A HN 0.627 nan 8.150 nan 0.000 0.492 605 K N -0.549 119.820 120.400 -0.051 0.000 2.316 605 K HA 0.543 4.863 4.320 0.001 0.000 0.251 605 K C -1.126 175.458 176.600 -0.026 0.000 0.934 605 K CA -0.279 55.987 56.287 -0.035 0.000 0.802 605 K CB 2.381 34.861 32.500 -0.034 0.000 1.171 605 K HN 0.290 nan 8.250 nan 0.000 0.426 606 V N -0.724 119.180 119.914 -0.017 0.000 2.315 606 V HA 0.446 4.567 4.120 0.001 0.000 0.265 606 V C -0.539 175.552 176.094 -0.004 0.000 1.019 606 V CA -0.864 61.431 62.300 -0.008 0.000 0.824 606 V CB 0.623 32.440 31.823 -0.009 0.000 1.072 606 V HN 0.570 nan 8.190 nan 0.000 0.448 607 D N 3.535 123.935 120.400 0.000 0.000 2.433 607 D HA 0.613 5.253 4.640 0.001 0.000 0.255 607 D C 1.426 177.731 176.300 0.009 0.000 1.226 607 D CA 0.779 54.780 54.000 0.002 0.000 1.015 607 D CB 1.562 42.363 40.800 0.003 0.000 1.091 607 D HN 0.536 nan 8.370 nan 0.000 0.527 608 G N -0.676 108.130 108.800 0.010 0.000 3.042 608 G HA2 -0.063 3.898 3.960 0.001 0.000 0.212 608 G HA3 -0.063 3.898 3.960 0.001 0.000 0.212 608 G C 0.706 175.622 174.900 0.027 0.000 1.166 608 G CA 0.092 45.203 45.100 0.019 0.000 0.767 608 G HN 0.441 nan 8.290 nan 0.000 0.546 609 N N -0.771 117.942 118.700 0.022 0.000 2.297 609 N HA 0.152 4.892 4.740 0.001 0.000 0.208 609 N C 0.079 175.609 175.510 0.034 0.000 1.176 609 N CA -0.241 52.825 53.050 0.026 0.000 0.882 609 N CB 0.887 39.382 38.487 0.013 0.000 1.134 609 N HN 0.279 nan 8.380 nan 0.000 0.489 610 R N 0.187 120.706 120.500 0.031 0.000 2.634 610 R HA 0.438 4.778 4.340 0.001 0.000 0.263 610 R C -2.013 174.308 176.300 0.034 0.000 1.060 610 R CA -0.683 55.443 56.100 0.043 0.000 0.898 610 R CB 0.835 31.155 30.300 0.033 0.000 1.253 610 R HN -0.163 nan 8.270 nan 0.000 0.461 611 I N 2.261 122.866 120.570 0.059 0.000 2.502 611 I HA 0.181 4.352 4.170 0.001 0.000 0.276 611 I C -0.493 175.619 176.117 -0.007 0.000 1.057 611 I CA -0.656 60.664 61.300 0.035 0.000 1.163 611 I CB 2.074 40.112 38.000 0.063 0.000 1.288 611 I HN 0.420 nan 8.210 nan 0.000 0.479 612 V N 6.784 126.661 119.914 -0.062 0.000 2.381 612 V HA 0.157 4.277 4.120 0.001 0.000 0.257 612 V C 0.520 176.495 176.094 -0.198 0.000 1.057 612 V CA -0.525 61.689 62.300 -0.144 0.000 1.013 612 V CB 0.406 32.159 31.823 -0.117 0.000 1.069 612 V HN 0.481 nan 8.190 nan 0.000 0.484 613 V N 3.312 123.031 119.914 -0.324 0.000 2.686 613 V HA 0.594 4.715 4.120 0.001 0.000 0.295 613 V C 0.140 175.903 176.094 -0.551 0.000 1.057 613 V CA -0.942 61.122 62.300 -0.394 0.000 1.012 613 V CB 1.266 32.817 31.823 -0.454 0.000 1.006 613 V HN 0.807 nan 8.190 nan 0.000 0.477 614 R N 3.075 123.343 120.500 -0.388 0.000 2.275 614 R HA 0.441 4.781 4.340 0.001 0.000 0.326 614 R C -1.101 175.079 176.300 -0.201 0.000 0.973 614 R CA -0.520 55.398 56.100 -0.304 0.000 0.854 614 R CB 0.710 30.923 30.300 -0.145 0.000 1.156 614 R HN 0.892 nan 8.270 nan 0.000 0.487 615 Y N 1.464 121.737 120.300 -0.045 0.000 2.314 615 Y HA 0.013 4.564 4.550 0.001 0.000 0.334 615 Y C 1.487 177.375 175.900 -0.021 0.000 1.266 615 Y CA -0.766 57.317 58.100 -0.029 0.000 1.391 615 Y CB 0.938 39.381 38.460 -0.029 0.000 1.306 615 Y HN 0.492 nan 8.280 nan 0.000 0.558 616 E N 1.165 121.467 120.200 0.170 0.000 2.472 616 E HA -0.130 4.220 4.350 0.001 0.000 0.200 616 E C 0.769 177.408 176.600 0.064 0.000 1.046 616 E CA 0.736 57.186 56.400 0.083 0.000 0.871 616 E CB -0.282 29.453 29.700 0.059 0.000 0.806 616 E HN 0.715 nan 8.360 nan 0.000 0.533 617 D N -0.967 119.484 120.400 0.084 0.000 2.349 617 D HA 0.055 4.695 4.640 0.001 0.000 0.224 617 D C 1.221 177.547 176.300 0.044 0.000 1.029 617 D CA 0.695 54.728 54.000 0.054 0.000 0.879 617 D CB -0.017 40.815 40.800 0.055 0.000 0.906 617 D HN 0.110 nan 8.370 nan 0.000 0.528 618 G N -0.080 108.746 108.800 0.043 0.000 2.141 618 G HA2 -0.272 3.688 3.960 0.001 0.000 0.231 618 G HA3 -0.272 3.688 3.960 0.001 0.000 0.231 618 G C 0.063 174.969 174.900 0.011 0.000 0.984 618 G CA -0.286 44.825 45.100 0.019 0.000 0.660 618 G HN 0.459 nan 8.290 nan 0.000 0.525 619 R N -0.704 119.813 120.500 0.029 0.000 2.832 619 R HA 0.840 5.180 4.340 0.001 0.000 0.271 619 R C -0.367 175.888 176.300 -0.075 0.000 0.996 619 R CA -0.869 55.235 56.100 0.007 0.000 0.977 619 R CB 1.608 31.946 30.300 0.064 0.000 1.168 619 R HN 0.581 nan 8.270 nan 0.000 0.482 620 L N -1.907 119.236 121.223 -0.134 0.000 2.464 620 L HA 0.695 5.035 4.340 0.001 0.000 0.266 620 L C -1.166 175.547 176.870 -0.262 0.000 0.965 620 L CA -0.878 53.807 54.840 -0.258 0.000 0.833 620 L CB 2.100 44.046 42.059 -0.189 0.000 1.296 620 L HN 0.284 nan 8.230 nan 0.000 0.405 621 V N 0.940 120.604 119.914 -0.417 0.000 2.604 621 V HA 0.512 4.633 4.120 0.001 0.000 0.305 621 V C -0.158 175.697 176.094 -0.398 0.000 1.043 621 V CA -0.514 61.554 62.300 -0.388 0.000 0.888 621 V CB 1.674 33.178 31.823 -0.532 0.000 0.995 621 V HN 0.926 nan 8.190 nan 0.000 0.429 622 E N 3.147 123.210 120.200 -0.229 0.000 2.194 622 E HA 0.247 4.598 4.350 0.001 0.000 0.284 622 E C -1.523 175.063 176.600 -0.023 0.000 1.035 622 E CA -0.369 55.958 56.400 -0.122 0.000 0.836 622 E CB 0.648 30.319 29.700 -0.048 0.000 1.070 622 E HN 0.754 nan 8.360 nan 0.000 0.401 623 Y N 5.846 126.134 120.300 -0.019 0.000 2.593 623 Y HA 0.256 4.807 4.550 0.001 0.000 0.331 623 Y C -2.017 173.886 175.900 0.006 0.000 0.986 623 Y CA -2.628 55.473 58.100 0.002 0.000 1.262 623 Y CB 1.351 39.817 38.460 0.010 0.000 1.098 623 Y HN 0.451 nan 8.280 nan 0.000 0.506 624 P HA 0.082 nan 4.420 nan 0.000 0.272 624 P C -0.933 176.415 177.300 0.081 0.000 1.230 624 P CA 0.124 63.287 63.100 0.105 0.000 0.788 624 P CB 0.832 32.585 31.700 0.088 0.000 0.949 625 L N 2.014 123.276 121.223 0.065 0.000 2.356 625 L HA 0.460 4.801 4.340 0.001 0.000 0.277 625 L C 0.582 177.497 176.870 0.074 0.000 0.996 625 L CA -0.887 53.982 54.840 0.049 0.000 0.822 625 L CB 1.601 43.681 42.059 0.036 0.000 1.256 625 L HN 0.231 nan 8.230 nan 0.000 0.413 626 R N 3.200 123.759 120.500 0.099 0.000 2.816 626 R HA -0.061 4.280 4.340 0.001 0.000 0.344 626 R C 0.871 177.229 176.300 0.096 0.000 1.065 626 R CA -0.046 56.185 56.100 0.218 0.000 0.995 626 R CB -0.096 30.354 30.300 0.249 0.000 0.984 626 R HN 0.651 nan 8.270 nan 0.000 0.435 627 R N 1.937 122.464 120.500 0.044 0.000 2.256 627 R HA -0.158 4.183 4.340 0.001 0.000 0.216 627 R C 0.237 176.615 176.300 0.130 0.000 1.080 627 R CA 1.270 57.423 56.100 0.088 0.000 0.848 627 R CB -0.200 30.124 30.300 0.040 0.000 0.794 627 R HN 0.311 nan 8.270 nan 0.000 0.438 628 F N 0.043 119.882 119.950 -0.184 0.000 2.716 628 F HA 0.383 4.911 4.527 0.001 0.000 0.354 628 F C -0.981 174.674 175.800 -0.242 0.000 1.168 628 F CA -0.815 57.099 58.000 -0.142 0.000 1.045 628 F CB 1.446 40.375 39.000 -0.118 0.000 1.311 628 F HN 0.023 nan 8.300 nan 0.000 0.477 629 Y N 1.195 121.441 120.300 -0.088 0.000 2.534 629 Y HA 0.573 5.123 4.550 0.001 0.000 0.329 629 Y C 0.134 175.994 175.900 -0.066 0.000 1.154 629 Y CA -1.089 56.960 58.100 -0.086 0.000 1.192 629 Y CB 1.413 39.813 38.460 -0.099 0.000 1.275 629 Y HN 0.330 nan 8.280 nan 0.000 0.491 630 R N 1.702 122.328 120.500 0.209 0.000 2.196 630 R HA 0.261 4.602 4.340 0.001 0.000 0.340 630 R C -0.510 175.848 176.300 0.097 0.000 1.043 630 R CA -0.322 55.875 56.100 0.162 0.000 0.883 630 R CB 0.240 30.726 30.300 0.310 0.000 1.078 630 R HN 0.653 nan 8.270 nan 0.000 0.462 631 S N 3.271 118.989 115.700 0.030 0.000 2.593 631 S HA 0.098 4.569 4.470 0.001 0.000 0.269 631 S C 0.719 175.331 174.600 0.019 0.000 1.334 631 S CA -0.565 57.627 58.200 -0.014 0.000 1.015 631 S CB 0.867 64.033 63.200 -0.057 0.000 0.912 631 S HN 0.695 nan 8.310 nan 0.000 0.541 632 N N 1.368 120.070 118.700 0.003 0.000 2.061 632 N HA -0.110 4.630 4.740 0.001 0.000 0.193 632 N C 1.134 176.804 175.510 0.267 0.000 1.030 632 N CA 1.353 54.476 53.050 0.121 0.000 0.856 632 N CB -0.418 38.028 38.487 -0.068 0.000 1.023 632 N HN 0.638 nan 8.380 nan 0.000 0.424 633 Q N -0.106 119.774 119.800 0.133 0.000 2.228 633 Q HA 0.223 4.564 4.340 0.001 0.000 0.211 633 Q C 0.338 176.337 176.000 -0.002 0.000 0.890 633 Q CA -0.071 55.797 55.803 0.109 0.000 0.953 633 Q CB -0.121 28.616 28.738 -0.001 0.000 1.053 633 Q HN 0.444 nan 8.270 nan 0.000 0.471 634 G N 1.218 110.002 108.800 -0.026 0.000 2.246 634 G HA2 -0.240 3.721 3.960 0.001 0.000 0.273 634 G HA3 -0.240 3.721 3.960 0.001 0.000 0.273 634 G C 0.068 174.870 174.900 -0.164 0.000 1.055 634 G CA 0.650 45.656 45.100 -0.156 0.000 0.851 634 G HN 0.279 nan 8.290 nan 0.000 0.500 635 T N 0.289 114.778 114.554 -0.109 0.000 2.895 635 T HA 0.712 5.063 4.350 0.001 0.000 0.283 635 T C 0.672 175.337 174.700 -0.057 0.000 1.014 635 T CA 0.420 62.477 62.100 -0.071 0.000 1.037 635 T CB 1.591 70.379 68.868 -0.133 0.000 1.006 635 T HN 1.318 nan 8.240 nan 0.000 0.468 636 A N 3.216 126.009 122.820 -0.045 0.000 2.409 636 A HA 0.599 4.919 4.320 0.001 0.000 0.262 636 A C -0.338 177.101 177.584 -0.242 0.000 1.113 636 A CA -0.383 51.568 52.037 -0.143 0.000 0.790 636 A CB -0.304 18.614 19.000 -0.137 0.000 1.046 636 A HN 0.799 nan 8.150 nan 0.000 0.496 637 L N 3.969 125.026 121.223 -0.277 0.000 2.337 637 L HA 0.439 4.780 4.340 0.001 0.000 0.269 637 L C -0.737 175.939 176.870 -0.324 0.000 1.018 637 L CA -0.555 54.150 54.840 -0.225 0.000 0.876 637 L CB 0.785 42.784 42.059 -0.100 0.000 1.236 637 L HN 0.755 nan 8.230 nan 0.000 0.436 638 D N 1.868 122.034 120.400 -0.390 0.000 2.738 638 D HA 0.285 4.925 4.640 0.001 0.000 0.237 638 D C -1.060 175.145 176.300 -0.158 0.000 1.123 638 D CA -0.753 53.033 54.000 -0.357 0.000 0.856 638 D CB 2.051 42.465 40.800 -0.644 0.000 1.552 638 D HN 0.431 nan 8.370 nan 0.000 0.480 639 Q N 1.526 121.280 119.800 -0.077 0.000 2.368 639 Q HA 0.387 4.728 4.340 0.001 0.000 0.256 639 Q C -0.734 175.256 176.000 -0.016 0.000 0.980 639 Q CA -0.671 55.107 55.803 -0.043 0.000 0.887 639 Q CB 1.664 30.384 28.738 -0.031 0.000 1.221 639 Q HN 0.162 nan 8.270 nan 0.000 0.458 640 R N 2.894 123.383 120.500 -0.019 0.000 2.198 640 R HA 0.312 4.652 4.340 0.001 0.000 0.339 640 R C -2.517 173.773 176.300 -0.017 0.000 1.020 640 R CA -1.872 54.227 56.100 -0.002 0.000 0.864 640 R CB 0.040 30.340 30.300 0.001 0.000 1.105 640 R HN 0.336 nan 8.270 nan 0.000 0.463 641 P HA -0.021 nan 4.420 nan 0.000 0.262 641 P C 0.137 177.420 177.300 -0.028 0.000 1.182 641 P CA -0.021 63.070 63.100 -0.016 0.000 0.761 641 P CB 0.750 32.449 31.700 -0.002 0.000 0.795 642 R N 1.998 122.470 120.500 -0.046 0.000 2.437 642 R HA 0.196 4.537 4.340 0.001 0.000 0.257 642 R C -0.387 175.883 176.300 -0.050 0.000 0.927 642 R CA 0.045 56.111 56.100 -0.057 0.000 1.078 642 R CB 0.320 30.567 30.300 -0.089 0.000 1.161 642 R HN 0.272 nan 8.270 nan 0.000 0.529 643 V N 2.206 122.097 119.914 -0.038 0.000 2.435 643 V HA 0.264 4.384 4.120 0.001 0.000 0.290 643 V C 0.777 176.858 176.094 -0.020 0.000 1.030 643 V CA -1.121 61.161 62.300 -0.029 0.000 0.881 643 V CB 1.714 33.524 31.823 -0.021 0.000 0.983 643 V HN -0.037 nan 8.190 nan 0.000 0.445 644 V N 4.615 124.517 119.914 -0.020 0.000 3.385 644 V HA 0.508 4.628 4.120 0.001 0.000 0.301 644 V C 0.385 176.470 176.094 -0.015 0.000 1.082 644 V CA -0.365 61.925 62.300 -0.016 0.000 1.085 644 V CB 1.451 33.265 31.823 -0.016 0.000 1.152 644 V HN 0.580 nan 8.190 nan 0.000 0.465 645 V N 2.098 122.003 119.914 -0.015 0.000 2.655 645 V HA 0.510 4.630 4.120 0.001 0.000 0.300 645 V C 1.308 177.392 176.094 -0.017 0.000 1.044 645 V CA 0.432 62.721 62.300 -0.017 0.000 1.095 645 V CB -0.514 31.299 31.823 -0.017 0.000 0.952 645 V HN 2.070 nan 8.190 nan 0.000 0.485 646 G N 3.372 112.160 108.800 -0.020 0.000 2.438 646 G HA2 -0.223 3.737 3.960 0.001 0.000 0.272 646 G HA3 -0.223 3.737 3.960 0.001 0.000 0.272 646 G C -0.384 174.508 174.900 -0.012 0.000 0.991 646 G CA 0.415 45.504 45.100 -0.018 0.000 1.348 646 G HN 0.992 nan 8.290 nan 0.000 0.483 647 Q N 0.450 120.244 119.800 -0.010 0.000 2.274 647 Q HA 0.380 4.721 4.340 0.001 0.000 0.268 647 Q C 0.622 176.627 176.000 0.008 0.000 1.015 647 Q CA -1.136 54.665 55.803 -0.003 0.000 0.775 647 Q CB 1.161 29.895 28.738 -0.006 0.000 1.256 647 Q HN 0.636 nan 8.270 nan 0.000 0.442 648 R N 2.338 122.845 120.500 0.011 0.000 2.345 648 R HA 0.170 4.510 4.340 0.001 0.000 0.331 648 R C 0.092 176.410 176.300 0.031 0.000 1.067 648 R CA -0.134 55.981 56.100 0.025 0.000 0.962 648 R CB -0.611 29.701 30.300 0.019 0.000 0.987 648 R HN 0.317 nan 8.270 nan 0.000 0.451 649 V N 0.995 120.941 119.914 0.054 0.000 2.539 649 V HA 0.464 4.584 4.120 0.001 0.000 0.292 649 V C 0.545 176.675 176.094 0.060 0.000 1.045 649 V CA -1.308 61.026 62.300 0.058 0.000 0.945 649 V CB 1.371 33.246 31.823 0.088 0.000 0.993 649 V HN 0.861 nan 8.190 nan 0.000 0.464 650 R N 2.916 123.441 120.500 0.041 0.000 2.539 650 R HA 0.380 4.720 4.340 0.001 0.000 0.275 650 R C 0.049 176.375 176.300 0.043 0.000 1.077 650 R CA -0.671 55.451 56.100 0.036 0.000 1.097 650 R CB 0.778 31.096 30.300 0.030 0.000 1.018 650 R HN 0.869 nan 8.270 nan 0.000 0.483 651 K N 1.796 122.211 120.400 0.025 0.000 2.453 651 K HA 0.044 4.365 4.320 0.001 0.000 0.280 651 K C 0.215 176.854 176.600 0.066 0.000 1.045 651 K CA 1.230 57.526 56.287 0.016 0.000 1.059 651 K CB -0.029 32.462 32.500 -0.015 0.000 0.901 651 K HN 0.924 nan 8.250 nan 0.000 0.475 652 G N 3.202 112.072 108.800 0.116 0.000 2.204 652 G HA2 -0.194 3.767 3.960 0.001 0.000 0.244 652 G HA3 -0.194 3.767 3.960 0.001 0.000 0.244 652 G C -0.654 174.422 174.900 0.294 0.000 1.062 652 G CA 0.050 45.295 45.100 0.243 0.000 0.798 652 G HN 0.739 nan 8.290 nan 0.000 0.496 653 D N 0.094 120.556 120.400 0.104 0.000 2.350 653 D HA 0.502 5.142 4.640 0.001 0.000 0.245 653 D C 1.338 177.432 176.300 -0.345 0.000 1.036 653 D CA -0.729 53.227 54.000 -0.073 0.000 0.848 653 D CB 1.249 42.030 40.800 -0.032 0.000 1.307 653 D HN 0.533 nan 8.370 nan 0.000 0.469 654 L N 1.633 122.491 121.223 -0.609 0.000 2.615 654 L HA 0.141 4.481 4.340 0.001 0.000 0.271 654 L C 0.910 177.598 176.870 -0.303 0.000 1.183 654 L CA -0.189 54.245 54.840 -0.676 0.000 0.933 654 L CB -0.120 41.614 42.059 -0.542 0.000 1.199 654 L HN 0.318 nan 8.230 nan 0.000 0.487 655 L N 3.369 124.459 121.223 -0.221 0.000 2.249 655 L HA 0.435 4.776 4.340 0.001 0.000 0.207 655 L C 1.124 177.949 176.870 -0.075 0.000 1.090 655 L CA 0.815 55.609 54.840 -0.077 0.000 0.802 655 L CB -0.404 41.671 42.059 0.028 0.000 0.947 655 L HN 0.865 nan 8.230 nan 0.000 0.453 656 A N -1.306 121.448 122.820 -0.110 0.000 2.572 656 A HA 0.532 4.853 4.320 0.001 0.000 0.295 656 A C -1.585 175.939 177.584 -0.102 0.000 1.072 656 A CA -0.658 51.329 52.037 -0.083 0.000 0.691 656 A CB 1.281 20.251 19.000 -0.049 0.000 1.291 656 A HN -0.052 nan 8.150 nan 0.000 0.404 657 D N 0.885 121.239 120.400 -0.076 0.000 2.210 657 D HA 0.479 5.119 4.640 0.001 0.000 0.249 657 D C 0.867 177.142 176.300 -0.042 0.000 1.062 657 D CA 0.526 54.488 54.000 -0.062 0.000 0.891 657 D CB 1.865 42.629 40.800 -0.059 0.000 1.186 657 D HN 0.763 nan 8.370 nan 0.000 0.432 658 G N 2.114 110.902 108.800 -0.021 0.000 2.647 658 G HA2 0.040 4.001 3.960 0.001 0.000 0.271 658 G HA3 0.040 4.001 3.960 0.001 0.000 0.271 658 G C -1.554 173.317 174.900 -0.048 0.000 1.300 658 G CA -0.651 44.433 45.100 -0.026 0.000 0.997 658 G HN 0.287 nan 8.290 nan 0.000 0.533 659 P HA -0.071 nan 4.420 nan 0.000 0.217 659 P C 1.088 178.350 177.300 -0.064 0.000 1.148 659 P CA 2.395 65.439 63.100 -0.093 0.000 0.828 659 P CB 0.240 31.879 31.700 -0.103 0.000 0.783 660 A N -1.809 120.989 122.820 -0.037 0.000 2.606 660 A HA 0.327 4.648 4.320 0.001 0.000 0.290 660 A C 0.404 177.989 177.584 0.001 0.000 1.174 660 A CA -0.075 51.950 52.037 -0.020 0.000 0.958 660 A CB -0.214 18.781 19.000 -0.008 0.000 1.194 660 A HN 0.173 nan 8.150 nan 0.000 0.526 661 S N -1.098 114.601 115.700 -0.001 0.000 2.525 661 S HA 0.489 4.960 4.470 0.001 0.000 0.290 661 S C 0.502 175.095 174.600 -0.011 0.000 1.152 661 S CA -0.278 57.932 58.200 0.018 0.000 1.072 661 S CB 2.044 65.263 63.200 0.032 0.000 1.027 661 S HN 0.371 nan 8.310 nan 0.000 0.500 662 E N 1.957 122.154 120.200 -0.005 0.000 2.011 662 E HA 0.002 4.352 4.350 0.001 0.000 0.191 662 E C -0.186 176.349 176.600 -0.109 0.000 0.980 662 E CA 0.539 56.913 56.400 -0.043 0.000 0.814 662 E CB 0.149 29.842 29.700 -0.012 0.000 0.775 662 E HN 0.683 nan 8.360 nan 0.000 0.454 663 N N -1.013 117.570 118.700 -0.195 0.000 2.707 663 N HA 0.148 4.889 4.740 0.001 0.000 0.249 663 N C -0.589 174.669 175.510 -0.421 0.000 1.299 663 N CA 0.623 53.469 53.050 -0.339 0.000 0.769 663 N CB 1.333 39.526 38.487 -0.490 0.000 1.236 663 N HN 0.390 nan 8.380 nan 0.000 0.524 664 G N 1.102 109.806 108.800 -0.160 0.000 2.200 664 G HA2 -0.307 3.653 3.960 0.001 0.000 0.268 664 G HA3 -0.307 3.653 3.960 0.001 0.000 0.268 664 G C 0.027 175.099 174.900 0.287 0.000 0.986 664 G CA 0.517 45.636 45.100 0.032 0.000 0.677 664 G HN 0.512 nan 8.290 nan 0.000 0.532 665 F N -0.569 119.386 119.950 0.009 0.000 2.450 665 F HA 0.505 5.032 4.527 0.001 0.000 0.332 665 F C 0.887 176.676 175.800 -0.018 0.000 1.093 665 F CA -1.432 56.562 58.000 -0.011 0.000 1.003 665 F CB 1.484 40.465 39.000 -0.031 0.000 1.151 665 F HN 0.079 nan 8.300 nan 0.000 0.474 666 L N 3.850 125.159 121.223 0.142 0.000 2.584 666 L HA 0.388 4.728 4.340 0.001 0.000 0.272 666 L C -0.546 176.362 176.870 0.063 0.000 1.195 666 L CA 0.169 55.045 54.840 0.061 0.000 0.920 666 L CB 0.123 42.178 42.059 -0.007 0.000 1.173 666 L HN 0.648 nan 8.230 nan 0.000 0.489 667 A N 6.690 129.558 122.820 0.079 0.000 2.411 667 A HA 0.714 5.035 4.320 0.001 0.000 0.285 667 A C -1.398 176.253 177.584 0.112 0.000 1.129 667 A CA -0.584 51.520 52.037 0.110 0.000 0.736 667 A CB 0.987 20.036 19.000 0.082 0.000 1.186 667 A HN 0.648 nan 8.150 nan 0.000 0.445 668 L N 1.647 123.003 121.223 0.221 0.000 2.404 668 L HA 0.888 5.228 4.340 0.001 0.000 0.272 668 L C 0.631 177.526 176.870 0.042 0.000 0.980 668 L CA 0.324 55.243 54.840 0.132 0.000 0.836 668 L CB 0.945 43.099 42.059 0.158 0.000 1.238 668 L HN 1.729 nan 8.230 nan 0.000 0.408 669 G N 2.347 111.075 108.800 -0.119 0.000 2.782 669 G HA2 -0.079 3.881 3.960 0.001 0.000 0.228 669 G HA3 -0.079 3.881 3.960 0.001 0.000 0.228 669 G C -0.926 173.802 174.900 -0.287 0.000 1.372 669 G CA -0.521 44.425 45.100 -0.256 0.000 0.862 669 G HN 0.721 nan 8.290 nan 0.000 0.547 670 Q N -0.738 118.905 119.800 -0.262 0.000 2.456 670 Q HA 0.406 4.746 4.340 0.001 0.000 0.283 670 Q C -0.199 175.807 176.000 0.009 0.000 1.084 670 Q CA -0.932 54.754 55.803 -0.196 0.000 0.801 670 Q CB 1.743 30.136 28.738 -0.575 0.000 1.434 670 Q HN 0.693 nan 8.270 nan 0.000 0.419 671 N N 0.469 119.215 118.700 0.078 0.000 2.475 671 N HA 0.280 5.021 4.740 0.001 0.000 0.267 671 N C -1.101 174.490 175.510 0.134 0.000 1.169 671 N CA -0.153 52.988 53.050 0.152 0.000 0.947 671 N CB 1.087 39.677 38.487 0.171 0.000 1.061 671 N HN 0.196 nan 8.380 nan 0.000 0.466 672 V N 3.460 123.447 119.914 0.121 0.000 2.888 672 V HA 0.388 4.509 4.120 0.001 0.000 0.309 672 V C -0.792 175.302 176.094 -0.000 0.000 1.114 672 V CA -0.990 61.383 62.300 0.121 0.000 0.940 672 V CB 1.904 33.820 31.823 0.155 0.000 1.021 672 V HN 0.550 nan 8.190 nan 0.000 0.426 673 L N 5.798 126.971 121.223 -0.085 0.000 2.410 673 L HA 0.630 4.971 4.340 0.001 0.000 0.273 673 L C -0.377 176.420 176.870 -0.121 0.000 1.152 673 L CA 0.390 55.110 54.840 -0.201 0.000 0.855 673 L CB 1.355 43.197 42.059 -0.362 0.000 1.129 673 L HN 0.765 nan 8.230 nan 0.000 0.463 674 V N 5.694 125.544 119.914 -0.106 0.000 2.638 674 V HA 0.801 4.921 4.120 0.001 0.000 0.306 674 V C -0.342 175.709 176.094 -0.071 0.000 1.052 674 V CA -0.242 62.009 62.300 -0.081 0.000 0.885 674 V CB 1.839 33.627 31.823 -0.058 0.000 0.999 674 V HN 0.901 nan 8.190 nan 0.000 0.424 675 A N 6.351 129.129 122.820 -0.071 0.000 2.274 675 A HA 0.692 5.013 4.320 0.001 0.000 0.309 675 A C -0.149 177.412 177.584 -0.039 0.000 1.226 675 A CA -0.343 51.665 52.037 -0.049 0.000 0.853 675 A CB 0.544 19.520 19.000 -0.040 0.000 1.146 675 A HN 0.971 nan 8.150 nan 0.000 0.518 676 I N 4.081 124.638 120.570 -0.022 0.000 2.410 676 I HA 0.207 4.377 4.170 0.001 0.000 0.288 676 I C 0.180 176.301 176.117 0.006 0.000 1.106 676 I CA 0.156 61.447 61.300 -0.015 0.000 1.389 676 I CB -0.692 37.298 38.000 -0.018 0.000 1.561 676 I HN 0.771 nan 8.210 nan 0.000 0.605 677 M N 2.814 122.429 119.600 0.025 0.000 2.775 677 M HA 0.768 5.248 4.480 0.001 0.000 0.296 677 M C -2.896 173.469 176.300 0.108 0.000 1.248 677 M CA -2.058 53.282 55.300 0.067 0.000 0.800 677 M CB 1.471 34.129 32.600 0.096 0.000 1.765 677 M HN -0.227 nan 8.290 nan 0.000 0.472 678 P HA 0.470 nan 4.420 nan 0.000 0.298 678 P C -1.553 175.935 177.300 0.314 0.000 1.314 678 P CA -0.220 62.986 63.100 0.176 0.000 0.854 678 P CB 0.883 32.652 31.700 0.114 0.000 1.019 679 F N 1.448 121.448 119.950 0.084 0.000 2.456 679 F HA 0.216 4.744 4.527 0.001 0.000 0.364 679 F C 1.457 177.328 175.800 0.118 0.000 1.092 679 F CA -0.446 57.624 58.000 0.117 0.000 1.125 679 F CB 0.055 39.154 39.000 0.165 0.000 1.543 679 F HN 0.297 nan 8.300 nan 0.000 0.504 680 D N 0.318 120.755 120.400 0.062 0.000 2.349 680 D HA -0.051 4.589 4.640 0.001 0.000 0.215 680 D C 1.419 177.730 176.300 0.018 0.000 1.075 680 D CA 2.195 56.192 54.000 -0.005 0.000 0.934 680 D CB -0.719 40.062 40.800 -0.031 0.000 1.234 680 D HN 0.609 nan 8.370 nan 0.000 0.492 681 G N -2.530 106.220 108.800 -0.084 0.000 3.581 681 G HA2 0.009 3.970 3.960 0.001 0.000 0.248 681 G HA3 0.009 3.970 3.960 0.001 0.000 0.248 681 G C 0.315 175.200 174.900 -0.024 0.000 1.037 681 G CA -0.376 44.695 45.100 -0.048 0.000 0.902 681 G HN 0.111 nan 8.290 nan 0.000 0.512 682 Y N 2.174 122.585 120.300 0.185 0.000 2.465 682 Y HA -0.065 4.485 4.550 0.001 0.000 0.289 682 Y C 1.211 177.193 175.900 0.136 0.000 1.150 682 Y CA 1.214 59.414 58.100 0.166 0.000 1.293 682 Y CB 0.183 38.774 38.460 0.218 0.000 0.977 682 Y HN 0.377 nan 8.280 nan 0.000 0.556 683 N N -1.311 117.547 118.700 0.263 0.000 2.765 683 N HA 0.025 4.766 4.740 0.001 0.000 0.277 683 N C 0.154 175.742 175.510 0.130 0.000 1.750 683 N CA -0.399 52.746 53.050 0.159 0.000 0.827 683 N CB -0.858 37.699 38.487 0.115 0.000 1.200 683 N HN 0.104 nan 8.380 nan 0.000 0.494 684 F N 1.649 121.620 119.950 0.034 0.000 2.016 684 F HA 0.191 4.719 4.527 0.001 0.000 0.290 684 F C 1.921 177.729 175.800 0.012 0.000 1.166 684 F CA 1.548 59.555 58.000 0.012 0.000 1.156 684 F CB 0.027 39.019 39.000 -0.013 0.000 0.995 684 F HN 0.332 nan 8.300 nan 0.000 0.477 685 E N -1.320 118.301 120.200 -0.965 0.000 2.132 685 E HA 0.002 4.353 4.350 0.001 0.000 0.193 685 E C -0.208 176.187 176.600 -0.341 0.000 0.951 685 E CA 0.835 56.691 56.400 -0.906 0.000 0.843 685 E CB 0.385 29.625 29.700 -0.766 0.000 0.807 685 E HN 0.329 nan 8.360 nan 0.000 0.467 686 D N -0.075 120.225 120.400 -0.165 0.000 3.256 686 D HA 0.283 4.923 4.640 0.001 0.000 0.332 686 D C -1.447 174.842 176.300 -0.020 0.000 1.327 686 D CA -0.007 53.945 54.000 -0.080 0.000 0.735 686 D CB 0.996 41.759 40.800 -0.063 0.000 1.280 686 D HN 0.167 nan 8.370 nan 0.000 0.572 687 A N 0.307 123.131 122.820 0.006 0.000 2.320 687 A HA 0.811 5.132 4.320 0.001 0.000 0.334 687 A C -0.504 177.101 177.584 0.036 0.000 1.147 687 A CA -0.408 51.660 52.037 0.050 0.000 0.820 687 A CB 1.097 20.166 19.000 0.115 0.000 1.218 687 A HN 0.140 nan 8.150 nan 0.000 0.482 688 I N 0.823 121.409 120.570 0.026 0.000 2.498 688 I HA 0.385 4.555 4.170 0.001 0.000 0.290 688 I C -0.445 175.659 176.117 -0.021 0.000 1.032 688 I CA -0.408 60.883 61.300 -0.015 0.000 1.073 688 I CB 2.231 40.198 38.000 -0.055 0.000 1.251 688 I HN 0.386 nan 8.210 nan 0.000 0.426 689 V N 6.050 125.923 119.914 -0.068 0.000 2.364 689 V HA 0.534 4.654 4.120 0.001 0.000 0.272 689 V C -0.040 175.940 176.094 -0.190 0.000 1.036 689 V CA -0.643 61.572 62.300 -0.141 0.000 0.880 689 V CB 1.065 32.726 31.823 -0.270 0.000 0.991 689 V HN 0.640 nan 8.190 nan 0.000 0.460 690 I N 4.050 124.521 120.570 -0.165 0.000 2.525 690 I HA 0.635 4.806 4.170 0.001 0.000 0.301 690 I C 0.582 176.613 176.117 -0.144 0.000 0.992 690 I CA -0.292 60.916 61.300 -0.154 0.000 1.162 690 I CB 2.225 40.145 38.000 -0.132 0.000 1.332 690 I HN 0.821 nan 8.210 nan 0.000 0.458 691 S N 5.096 120.723 115.700 -0.122 0.000 2.489 691 S HA 0.159 4.629 4.470 0.001 0.000 0.277 691 S C 0.855 175.413 174.600 -0.069 0.000 1.230 691 S CA -0.380 57.762 58.200 -0.096 0.000 1.053 691 S CB 1.290 64.439 63.200 -0.085 0.000 0.955 691 S HN 0.860 nan 8.310 nan 0.000 0.488 692 E N 2.085 122.249 120.200 -0.060 0.000 2.333 692 E HA -0.242 4.109 4.350 0.001 0.000 0.200 692 E C 1.453 178.027 176.600 -0.043 0.000 1.010 692 E CA 1.237 57.612 56.400 -0.043 0.000 0.841 692 E CB 0.007 29.686 29.700 -0.036 0.000 0.757 692 E HN 0.943 nan 8.360 nan 0.000 0.508 693 E N 0.211 120.376 120.200 -0.058 0.000 2.118 693 E HA -0.167 4.184 4.350 0.001 0.000 0.195 693 E C 2.051 178.584 176.600 -0.112 0.000 0.992 693 E CA 0.764 57.114 56.400 -0.083 0.000 0.804 693 E CB -0.047 29.600 29.700 -0.089 0.000 0.741 693 E HN 0.267 nan 8.360 nan 0.000 0.458 694 L N 0.068 121.252 121.223 -0.066 0.000 2.191 694 L HA -0.187 4.154 4.340 0.001 0.000 0.212 694 L C 2.155 179.063 176.870 0.064 0.000 1.103 694 L CA 0.774 55.617 54.840 0.004 0.000 0.769 694 L CB -0.208 41.920 42.059 0.114 0.000 0.908 694 L HN 0.264 nan 8.230 nan 0.000 0.438 695 L N -1.100 120.143 121.223 0.032 0.000 2.209 695 L HA -0.102 4.238 4.340 0.001 0.000 0.207 695 L C 2.513 179.395 176.870 0.020 0.000 1.094 695 L CA 0.685 55.555 54.840 0.050 0.000 0.790 695 L CB -0.400 41.678 42.059 0.031 0.000 0.932 695 L HN 0.184 nan 8.230 nan 0.000 0.447 696 K N 1.182 121.569 120.400 -0.020 0.000 2.001 696 K HA -0.171 4.150 4.320 0.001 0.000 0.214 696 K C 0.789 177.372 176.600 -0.030 0.000 1.050 696 K CA 1.271 57.540 56.287 -0.030 0.000 0.934 696 K CB -0.331 32.138 32.500 -0.053 0.000 0.718 696 K HN 0.381 nan 8.250 nan 0.000 0.443 697 R N 2.487 122.937 120.500 -0.083 0.000 2.210 697 R HA 0.130 4.470 4.340 0.001 0.000 0.338 697 R C -1.352 174.987 176.300 0.065 0.000 1.062 697 R CA -0.340 55.720 56.100 -0.066 0.000 0.902 697 R CB -0.032 30.115 30.300 -0.256 0.000 1.050 697 R HN 0.004 nan 8.270 nan 0.000 0.461 698 D N 3.563 124.034 120.400 0.119 0.000 2.552 698 D HA -0.108 4.532 4.640 0.001 0.000 0.274 698 D C -0.269 176.205 176.300 0.290 0.000 1.406 698 D CA 0.444 54.541 54.000 0.162 0.000 1.311 698 D CB -0.138 40.724 40.800 0.104 0.000 1.146 698 D HN 0.486 nan 8.370 nan 0.000 0.541 699 F N 0.215 120.182 119.950 0.028 0.000 2.437 699 F HA 0.163 4.690 4.527 0.001 0.000 0.288 699 F C 0.373 176.044 175.800 -0.214 0.000 1.085 699 F CA 0.044 58.034 58.000 -0.016 0.000 1.430 699 F CB 0.237 39.325 39.000 0.147 0.000 1.120 699 F HN 0.194 nan 8.300 nan 0.000 0.556 700 Y N 0.332 120.719 120.300 0.145 0.000 2.787 700 Y HA 0.370 4.920 4.550 0.001 0.000 0.352 700 Y C -0.429 175.487 175.900 0.027 0.000 1.027 700 Y CA -0.905 57.217 58.100 0.037 0.000 1.219 700 Y CB 0.599 39.068 38.460 0.015 0.000 1.110 700 Y HN -0.254 nan 8.280 nan 0.000 0.614 701 T N -0.353 114.222 114.554 0.034 0.000 2.886 701 T HA 0.753 5.103 4.350 0.001 0.000 0.292 701 T C -0.414 174.300 174.700 0.023 0.000 1.012 701 T CA -0.990 61.139 62.100 0.048 0.000 0.982 701 T CB 1.870 70.772 68.868 0.056 0.000 1.018 701 T HN 0.191 nan 8.240 nan 0.000 0.451 702 S N 1.751 117.481 115.700 0.049 0.000 2.541 702 S HA 0.628 5.099 4.470 0.001 0.000 0.280 702 S C -0.614 174.055 174.600 0.116 0.000 1.112 702 S CA -0.925 57.313 58.200 0.064 0.000 0.925 702 S CB 0.838 64.068 63.200 0.050 0.000 1.067 702 S HN 0.682 nan 8.310 nan 0.000 0.479 703 I N 1.740 122.399 120.570 0.148 0.000 2.342 703 I HA 0.467 4.637 4.170 0.001 0.000 0.291 703 I C -0.120 176.147 176.117 0.250 0.000 1.010 703 I CA -0.241 61.180 61.300 0.202 0.000 1.308 703 I CB -0.079 38.086 38.000 0.275 0.000 1.400 703 I HN 0.577 nan 8.210 nan 0.000 0.488 704 H N 6.117 125.263 119.070 0.126 0.000 2.638 704 H HA 0.684 5.240 4.556 0.001 0.000 0.317 704 H C -1.035 174.368 175.328 0.125 0.000 1.006 704 H CA -0.974 55.151 56.048 0.127 0.000 1.222 704 H CB 0.904 30.755 29.762 0.148 0.000 1.419 704 H HN 0.553 nan 8.280 nan 0.000 0.489 705 I N 2.398 122.907 120.570 -0.102 0.000 2.312 705 I HA 0.384 4.555 4.170 0.001 0.000 0.290 705 I C 0.128 176.114 176.117 -0.217 0.000 1.008 705 I CA -0.845 60.427 61.300 -0.046 0.000 1.226 705 I CB 1.309 39.367 38.000 0.096 0.000 1.371 705 I HN 0.431 nan 8.210 nan 0.000 0.468 706 E N 4.676 124.736 120.200 -0.234 0.000 2.191 706 E HA 0.452 4.802 4.350 0.001 0.000 0.274 706 E C -0.547 175.660 176.600 -0.655 0.000 0.948 706 E CA -0.725 55.397 56.400 -0.463 0.000 0.802 706 E CB 1.362 30.712 29.700 -0.582 0.000 1.137 706 E HN 0.544 nan 8.360 nan 0.000 0.397 707 R N 5.098 125.177 120.500 -0.702 0.000 2.790 707 R HA 0.194 4.535 4.340 0.001 0.000 0.274 707 R C -0.915 175.018 176.300 -0.612 0.000 1.334 707 R CA -0.401 55.171 56.100 -0.880 0.000 1.543 707 R CB -0.184 29.595 30.300 -0.869 0.000 1.154 707 R HN 0.562 nan 8.270 nan 0.000 0.601 708 Y N 1.014 121.175 120.300 -0.233 0.000 2.457 708 Y HA 0.099 4.650 4.550 0.001 0.000 0.341 708 Y C 0.754 176.568 175.900 -0.143 0.000 1.240 708 Y CA 0.258 58.277 58.100 -0.136 0.000 1.437 708 Y CB 0.596 39.008 38.460 -0.080 0.000 1.328 708 Y HN 0.382 nan 8.280 nan 0.000 0.588 709 E N 3.201 123.445 120.200 0.073 0.000 2.343 709 E HA 0.496 4.847 4.350 0.001 0.000 0.278 709 E C -2.001 174.619 176.600 0.034 0.000 0.910 709 E CA -0.795 55.619 56.400 0.024 0.000 0.757 709 E CB 2.449 32.142 29.700 -0.013 0.000 1.218 709 E HN 0.754 nan 8.360 nan 0.000 0.435 710 I N 2.118 122.704 120.570 0.027 0.000 2.730 710 I HA 0.440 4.611 4.170 0.001 0.000 0.298 710 I C -1.427 174.701 176.117 0.019 0.000 1.089 710 I CA -0.559 60.752 61.300 0.019 0.000 1.041 710 I CB 1.902 39.909 38.000 0.011 0.000 1.235 710 I HN 0.532 nan 8.210 nan 0.000 0.423 711 E N 5.558 125.768 120.200 0.017 0.000 2.222 711 E HA 0.560 4.911 4.350 0.001 0.000 0.267 711 E C -0.940 175.671 176.600 0.018 0.000 0.884 711 E CA -0.975 55.436 56.400 0.018 0.000 0.764 711 E CB 2.046 31.758 29.700 0.019 0.000 1.169 711 E HN 0.651 nan 8.360 nan 0.000 0.413 712 A N 3.775 126.607 122.820 0.020 0.000 2.539 712 A HA 0.201 4.521 4.320 0.001 0.000 0.306 712 A C 0.112 177.712 177.584 0.026 0.000 1.392 712 A CA -0.117 51.935 52.037 0.024 0.000 1.060 712 A CB -0.129 18.886 19.000 0.025 0.000 1.134 712 A HN 0.562 nan 8.150 nan 0.000 0.542 713 R N 1.487 122.004 120.500 0.028 0.000 2.500 713 R HA 0.264 4.604 4.340 0.001 0.000 0.275 713 R C -0.779 175.538 176.300 0.029 0.000 1.051 713 R CA -0.429 55.687 56.100 0.026 0.000 1.088 713 R CB 0.676 30.990 30.300 0.024 0.000 1.063 713 R HN 0.709 nan 8.270 nan 0.000 0.511 714 D N 2.168 122.578 120.400 0.017 0.000 2.428 714 D HA 0.106 4.746 4.640 0.001 0.000 0.221 714 D C -0.896 175.400 176.300 -0.007 0.000 1.123 714 D CA -0.327 53.676 54.000 0.005 0.000 0.869 714 D CB 0.798 41.598 40.800 -0.000 0.000 1.032 714 D HN 0.478 nan 8.370 nan 0.000 0.506 715 T N 1.037 115.582 114.554 -0.015 0.000 2.928 715 T HA 0.276 4.627 4.350 0.001 0.000 0.284 715 T C 1.148 175.794 174.700 -0.089 0.000 1.008 715 T CA -1.011 61.067 62.100 -0.035 0.000 1.057 715 T CB 1.709 70.570 68.868 -0.011 0.000 1.018 715 T HN 0.243 nan 8.240 nan 0.000 0.493 716 K N 0.703 121.053 120.400 -0.083 0.000 2.555 716 K HA 0.118 4.439 4.320 0.001 0.000 0.193 716 K C 1.314 177.809 176.600 -0.175 0.000 1.032 716 K CA 0.376 56.600 56.287 -0.105 0.000 1.004 716 K CB -0.315 32.145 32.500 -0.066 0.000 0.804 716 K HN 0.542 nan 8.250 nan 0.000 0.496 717 L N -0.266 120.817 121.223 -0.234 0.000 2.416 717 L HA 0.115 4.455 4.340 0.001 0.000 0.216 717 L C 0.728 176.979 176.870 -1.031 0.000 1.098 717 L CA -0.006 54.594 54.840 -0.400 0.000 0.840 717 L CB 0.384 42.327 42.059 -0.192 0.000 0.981 717 L HN 0.209 nan 8.230 nan 0.000 0.462 718 G N -0.369 107.941 108.800 -0.817 0.000 2.326 718 G HA2 0.046 4.006 3.960 0.001 0.000 0.299 718 G HA3 0.046 4.006 3.960 0.001 0.000 0.299 718 G C -3.099 171.687 174.900 -0.190 0.000 1.643 718 G CA -1.175 43.378 45.100 -0.911 0.000 0.916 718 G HN -0.327 nan 8.290 nan 0.000 0.700 719 P HA 0.148 nan 4.420 nan 0.000 0.264 719 P C -0.020 177.394 177.300 0.191 0.000 1.179 719 P CA 0.510 63.657 63.100 0.077 0.000 0.763 719 P CB 0.420 32.153 31.700 0.055 0.000 0.806 720 E N 3.446 123.726 120.200 0.133 0.000 2.070 720 E HA 0.106 4.457 4.350 0.001 0.000 0.282 720 E C 0.132 176.776 176.600 0.073 0.000 1.104 720 E CA -0.446 56.025 56.400 0.118 0.000 0.876 720 E CB 0.271 30.017 29.700 0.078 0.000 1.055 720 E HN 0.186 nan 8.360 nan 0.000 0.401 721 R N 2.540 123.079 120.500 0.065 0.000 2.490 721 R HA 0.358 4.698 4.340 0.001 0.000 0.278 721 R C 0.188 176.495 176.300 0.011 0.000 1.069 721 R CA -0.584 55.538 56.100 0.036 0.000 1.080 721 R CB 0.860 31.180 30.300 0.033 0.000 1.030 721 R HN 0.594 nan 8.270 nan 0.000 0.491 722 I N 1.242 121.818 120.570 0.010 0.000 2.337 722 I HA 0.217 4.388 4.170 0.001 0.000 0.285 722 I C -0.823 175.293 176.117 -0.003 0.000 1.041 722 I CA 0.163 61.464 61.300 0.002 0.000 1.199 722 I CB 0.940 38.945 38.000 0.008 0.000 1.370 722 I HN 0.564 nan 8.210 nan 0.000 0.470 723 T N 4.823 119.369 114.554 -0.013 0.000 2.816 723 T HA 0.330 4.680 4.350 0.001 0.000 0.299 723 T C 0.896 175.583 174.700 -0.021 0.000 1.230 723 T CA -0.637 61.455 62.100 -0.014 0.000 1.007 723 T CB 1.618 70.478 68.868 -0.015 0.000 1.289 723 T HN 0.784 nan 8.240 nan 0.000 0.508 724 R N 0.919 121.409 120.500 -0.017 0.000 2.241 724 R HA 0.063 4.403 4.340 0.001 0.000 0.224 724 R C 0.256 176.539 176.300 -0.028 0.000 1.101 724 R CA 0.913 57.001 56.100 -0.019 0.000 0.995 724 R CB -0.221 30.071 30.300 -0.014 0.000 0.870 724 R HN 0.371 nan 8.270 nan 0.000 0.463 725 D N 1.155 121.535 120.400 -0.034 0.000 2.344 725 D HA 0.081 4.721 4.640 0.001 0.000 0.253 725 D C -0.859 175.402 176.300 -0.066 0.000 1.255 725 D CA -0.070 53.903 54.000 -0.045 0.000 0.894 725 D CB 0.617 41.390 40.800 -0.046 0.000 1.067 725 D HN 0.144 nan 8.370 nan 0.000 0.492 726 I N 6.660 127.190 120.570 -0.066 0.000 2.395 726 I HA 0.160 4.331 4.170 0.001 0.000 0.282 726 I C -1.380 174.673 176.117 -0.107 0.000 1.107 726 I CA -1.765 59.480 61.300 -0.092 0.000 1.210 726 I CB 1.416 39.373 38.000 -0.071 0.000 1.456 726 I HN 0.182 nan 8.210 nan 0.000 0.504 727 P HA -0.291 nan 4.420 nan 0.000 0.233 727 P C 0.974 178.253 177.300 -0.034 0.000 1.146 727 P CA 2.106 65.100 63.100 -0.176 0.000 0.931 727 P CB -0.004 31.459 31.700 -0.394 0.000 0.777 728 H N -4.480 114.560 119.070 -0.050 0.000 2.615 728 H HA 0.291 4.848 4.556 0.001 0.000 0.275 728 H C 1.695 176.994 175.328 -0.049 0.000 0.981 728 H CA 0.247 56.264 56.048 -0.051 0.000 1.252 728 H CB 0.396 30.124 29.762 -0.057 0.000 1.447 728 H HN 0.039 nan 8.280 nan 0.000 0.498 729 L N -0.696 120.565 121.223 0.064 0.000 2.860 729 L HA 0.256 4.597 4.340 0.001 0.000 0.251 729 L C -0.161 176.711 176.870 0.004 0.000 1.041 729 L CA 0.280 55.134 54.840 0.024 0.000 0.985 729 L CB 1.161 43.227 42.059 0.011 0.000 1.656 729 L HN 0.145 nan 8.230 nan 0.000 0.526 730 S N -1.980 113.719 115.700 -0.002 0.000 2.596 730 S HA 0.407 4.877 4.470 0.001 0.000 0.270 730 S C 0.208 174.803 174.600 -0.009 0.000 1.155 730 S CA -0.265 57.932 58.200 -0.006 0.000 0.827 730 S CB 1.549 64.744 63.200 -0.008 0.000 1.130 730 S HN 0.052 nan 8.310 nan 0.000 0.467 731 E N 1.180 121.376 120.200 -0.007 0.000 2.250 731 E HA 0.314 4.664 4.350 0.001 0.000 0.192 731 E C 1.994 178.589 176.600 -0.008 0.000 0.986 731 E CA 1.275 57.671 56.400 -0.007 0.000 0.849 731 E CB -0.454 29.243 29.700 -0.005 0.000 0.797 731 E HN 0.788 nan 8.360 nan 0.000 0.482 732 A N 0.598 123.413 122.820 -0.008 0.000 1.978 732 A HA -0.084 4.236 4.320 0.001 0.000 0.220 732 A C 2.223 179.800 177.584 -0.011 0.000 1.170 732 A CA 1.807 53.839 52.037 -0.008 0.000 0.636 732 A CB -0.621 18.374 19.000 -0.008 0.000 0.810 732 A HN 0.305 nan 8.150 nan 0.000 0.448 733 A N -1.818 120.993 122.820 -0.014 0.000 2.275 733 A HA 0.428 4.748 4.320 0.001 0.000 0.212 733 A C 1.399 178.972 177.584 -0.019 0.000 1.201 733 A CA 0.449 52.474 52.037 -0.018 0.000 0.843 733 A CB -0.107 18.880 19.000 -0.023 0.000 0.873 733 A HN 0.331 nan 8.150 nan 0.000 0.492 734 L N -0.405 120.809 121.223 -0.016 0.000 2.616 734 L HA 0.167 4.507 4.340 0.001 0.000 0.229 734 L C 2.144 179.007 176.870 -0.011 0.000 1.110 734 L CA 0.618 55.449 54.840 -0.015 0.000 0.884 734 L CB -0.433 41.617 42.059 -0.015 0.000 1.115 734 L HN 0.357 nan 8.230 nan 0.000 0.481 735 R N -0.096 120.399 120.500 -0.009 0.000 2.088 735 R HA -0.155 4.186 4.340 0.001 0.000 0.232 735 R C 1.489 177.786 176.300 -0.005 0.000 1.136 735 R CA 1.777 57.873 56.100 -0.006 0.000 0.926 735 R CB -0.880 29.416 30.300 -0.005 0.000 0.837 735 R HN 0.207 nan 8.270 nan 0.000 0.429 736 D N 1.208 121.605 120.400 -0.006 0.000 2.158 736 D HA -0.127 4.514 4.640 0.001 0.000 0.197 736 D C 0.899 177.198 176.300 -0.003 0.000 0.995 736 D CA 0.918 54.916 54.000 -0.003 0.000 0.846 736 D CB -0.189 40.609 40.800 -0.004 0.000 0.941 736 D HN 0.126 nan 8.370 nan 0.000 0.456 737 L N 1.663 122.882 121.223 -0.007 0.000 2.416 737 L HA -0.011 4.329 4.340 0.001 0.000 0.243 737 L C 0.834 177.701 176.870 -0.004 0.000 1.373 737 L CA 0.099 54.935 54.840 -0.006 0.000 1.227 737 L CB 0.024 42.076 42.059 -0.012 0.000 1.428 737 L HN -0.121 nan 8.230 nan 0.000 0.425 738 D N 0.644 121.043 120.400 -0.001 0.000 2.106 738 D HA -0.082 4.558 4.640 0.001 0.000 0.203 738 D C 0.559 176.859 176.300 -0.000 0.000 0.977 738 D CA 0.773 54.772 54.000 -0.001 0.000 0.844 738 D CB 0.418 41.218 40.800 -0.000 0.000 1.002 738 D HN 0.396 nan 8.370 nan 0.000 0.461 739 E N 1.684 121.885 120.200 0.002 0.000 2.415 739 E HA -0.006 4.344 4.350 0.001 0.000 0.260 739 E C -0.208 176.394 176.600 0.002 0.000 1.016 739 E CA -0.013 56.389 56.400 0.003 0.000 0.924 739 E CB 0.631 30.335 29.700 0.006 0.000 0.961 739 E HN 0.167 nan 8.360 nan 0.000 0.459 740 E N 1.530 121.731 120.200 0.001 0.000 2.924 740 E HA -0.088 4.262 4.350 0.001 0.000 0.236 740 E C 0.997 177.597 176.600 -0.000 0.000 1.028 740 E CA 1.625 58.024 56.400 -0.001 0.000 0.952 740 E CB -0.526 29.174 29.700 -0.000 0.000 0.918 740 E HN 0.778 nan 8.360 nan 0.000 0.536 741 G N 2.174 110.972 108.800 -0.004 0.000 3.079 741 G HA2 -0.304 3.656 3.960 0.001 0.000 0.214 741 G HA3 -0.304 3.656 3.960 0.001 0.000 0.214 741 G C 0.215 175.114 174.900 -0.001 0.000 1.335 741 G CA -0.133 44.964 45.100 -0.004 0.000 0.822 741 G HN 0.564 nan 8.290 nan 0.000 0.545 742 V N 1.985 121.903 119.914 0.006 0.000 2.732 742 V HA 0.592 4.713 4.120 0.001 0.000 0.297 742 V C 1.199 177.300 176.094 0.010 0.000 1.060 742 V CA 0.015 62.322 62.300 0.012 0.000 1.038 742 V CB 1.689 33.524 31.823 0.019 0.000 1.003 742 V HN 0.745 nan 8.190 nan 0.000 0.481 743 V N 5.459 125.382 119.914 0.015 0.000 2.775 743 V HA 0.386 4.507 4.120 0.001 0.000 0.299 743 V C 0.567 176.672 176.094 0.018 0.000 1.062 743 V CA -0.598 61.710 62.300 0.014 0.000 1.063 743 V CB 1.370 33.203 31.823 0.016 0.000 0.994 743 V HN 1.038 nan 8.190 nan 0.000 0.483 744 R N 5.766 126.274 120.500 0.012 0.000 2.438 744 R HA 0.448 4.789 4.340 0.001 0.000 0.287 744 R C -0.288 176.020 176.300 0.014 0.000 1.077 744 R CA -0.253 55.853 56.100 0.011 0.000 1.034 744 R CB 0.278 30.581 30.300 0.005 0.000 0.993 744 R HN 0.633 nan 8.270 nan 0.000 0.459 745 I N 2.905 123.482 120.570 0.012 0.000 2.648 745 I HA 0.111 4.281 4.170 0.001 0.000 0.284 745 I C 1.114 177.233 176.117 0.003 0.000 1.153 745 I CA 1.336 62.642 61.300 0.011 0.000 1.426 745 I CB 0.901 38.903 38.000 0.003 0.000 1.381 745 I HN 1.094 nan 8.210 nan 0.000 0.571 746 G N 4.504 113.306 108.800 0.004 0.000 2.132 746 G HA2 -0.159 3.802 3.960 0.001 0.000 0.234 746 G HA3 -0.159 3.802 3.960 0.001 0.000 0.234 746 G C 0.111 175.013 174.900 0.004 0.000 0.989 746 G CA -0.061 45.037 45.100 -0.003 0.000 0.676 746 G HN 0.981 nan 8.290 nan 0.000 0.522 747 A N 0.197 123.024 122.820 0.012 0.000 2.276 747 A HA 0.692 5.012 4.320 0.001 0.000 0.316 747 A C 0.412 178.007 177.584 0.019 0.000 1.229 747 A CA 0.219 52.263 52.037 0.012 0.000 0.851 747 A CB 0.647 19.653 19.000 0.011 0.000 1.165 747 A HN 0.719 nan 8.150 nan 0.000 0.513 748 E N 2.384 122.593 120.200 0.015 0.000 2.292 748 E HA 0.287 4.638 4.350 0.001 0.000 0.265 748 E C -0.542 176.069 176.600 0.017 0.000 1.093 748 E CA -0.268 56.144 56.400 0.020 0.000 0.922 748 E CB 0.312 30.022 29.700 0.016 0.000 1.001 748 E HN 0.573 nan 8.360 nan 0.000 0.444 749 V N 2.617 122.546 119.914 0.025 0.000 2.313 749 V HA 0.480 4.601 4.120 0.001 0.000 0.278 749 V C -0.277 175.823 176.094 0.009 0.000 1.017 749 V CA -1.077 61.229 62.300 0.010 0.000 0.823 749 V CB 1.032 32.861 31.823 0.010 0.000 1.010 749 V HN 0.435 nan 8.190 nan 0.000 0.443 750 K N 5.655 126.053 120.400 -0.003 0.000 2.098 750 K HA 0.637 4.957 4.320 0.001 0.000 0.244 750 K C -2.734 173.849 176.600 -0.028 0.000 1.014 750 K CA -2.320 53.965 56.287 -0.003 0.000 0.917 750 K CB 0.719 33.218 32.500 -0.001 0.000 1.072 750 K HN 0.481 nan 8.250 nan 0.000 0.477 751 P HA 0.098 nan 4.420 nan 0.000 0.263 751 P C -0.143 177.115 177.300 -0.071 0.000 1.195 751 P CA 0.673 63.738 63.100 -0.059 0.000 0.762 751 P CB 0.541 32.215 31.700 -0.043 0.000 0.799 752 G N 1.496 110.237 108.800 -0.098 0.000 2.144 752 G HA2 -0.168 3.792 3.960 0.001 0.000 0.218 752 G HA3 -0.168 3.792 3.960 0.001 0.000 0.218 752 G C -0.100 174.754 174.900 -0.077 0.000 0.988 752 G CA -0.408 44.638 45.100 -0.089 0.000 0.659 752 G HN 0.535 nan 8.290 nan 0.000 0.522 753 D N 0.136 120.488 120.400 -0.080 0.000 2.229 753 D HA 0.501 5.141 4.640 0.001 0.000 0.249 753 D C 1.023 177.278 176.300 -0.075 0.000 1.027 753 D CA -0.502 53.460 54.000 -0.064 0.000 0.923 753 D CB 0.905 41.676 40.800 -0.048 0.000 1.174 753 D HN 0.199 nan 8.370 nan 0.000 0.443 754 I N 3.766 124.300 120.570 -0.059 0.000 2.517 754 I HA -0.018 4.152 4.170 0.001 0.000 0.285 754 I C 1.624 177.708 176.117 -0.054 0.000 1.106 754 I CA -0.088 61.176 61.300 -0.060 0.000 1.402 754 I CB 0.952 38.923 38.000 -0.048 0.000 1.399 754 I HN 0.316 nan 8.210 nan 0.000 0.535 755 L N 6.919 128.102 121.223 -0.067 0.000 2.162 755 L HA 0.126 4.466 4.340 0.001 0.000 0.205 755 L C 0.156 177.015 176.870 -0.017 0.000 1.086 755 L CA 0.837 55.651 54.840 -0.044 0.000 0.778 755 L CB 0.288 42.305 42.059 -0.070 0.000 0.928 755 L HN 0.402 nan 8.230 nan 0.000 0.446 756 V N -1.341 118.557 119.914 -0.026 0.000 2.969 756 V HA 0.523 4.644 4.120 0.001 0.000 0.304 756 V C -0.239 175.839 176.094 -0.026 0.000 1.192 756 V CA -0.792 61.499 62.300 -0.015 0.000 0.962 756 V CB 1.700 33.522 31.823 -0.001 0.000 1.045 756 V HN 0.071 nan 8.190 nan 0.000 0.428 757 G N 2.008 110.794 108.800 -0.024 0.000 2.371 757 G HA2 0.778 4.739 3.960 0.001 0.000 0.326 757 G HA3 0.778 4.739 3.960 0.001 0.000 0.326 757 G C -0.871 174.011 174.900 -0.030 0.000 1.127 757 G CA -0.578 44.502 45.100 -0.034 0.000 0.885 757 G HN 0.790 nan 8.290 nan 0.000 0.477 758 R N -0.064 120.412 120.500 -0.039 0.000 2.668 758 R HA 0.650 4.991 4.340 0.001 0.000 0.272 758 R C -1.192 175.076 176.300 -0.053 0.000 1.019 758 R CA -0.592 55.489 56.100 -0.032 0.000 0.894 758 R CB 2.124 32.413 30.300 -0.017 0.000 1.228 758 R HN 0.690 nan 8.270 nan 0.000 0.460 759 T N 0.484 115.008 114.554 -0.051 0.000 2.847 759 T HA 0.489 4.839 4.350 0.001 0.000 0.291 759 T C -0.309 174.352 174.700 -0.066 0.000 0.998 759 T CA -0.449 61.593 62.100 -0.097 0.000 0.967 759 T CB 1.294 70.075 68.868 -0.146 0.000 0.954 759 T HN 0.627 nan 8.240 nan 0.000 0.441 760 S N 3.054 118.720 115.700 -0.058 0.000 2.776 760 S HA 0.861 5.332 4.470 0.001 0.000 0.306 760 S C -0.734 173.847 174.600 -0.031 0.000 1.114 760 S CA -0.897 57.346 58.200 0.072 0.000 0.973 760 S CB 0.547 63.805 63.200 0.096 0.000 1.250 760 S HN 0.531 nan 8.310 nan 0.000 0.549 761 F N 1.396 121.339 119.950 -0.012 0.000 2.399 761 F HA 0.535 5.062 4.527 0.001 0.000 0.334 761 F C 1.663 177.461 175.800 -0.004 0.000 1.097 761 F CA -0.984 57.012 58.000 -0.007 0.000 1.076 761 F CB 1.323 40.321 39.000 -0.003 0.000 1.162 761 F HN 0.625 nan 8.300 nan 0.000 0.495 762 K N 1.703 122.158 120.400 0.091 0.000 1.991 762 K HA -0.044 4.276 4.320 0.001 0.000 0.212 762 K C 1.166 177.809 176.600 0.072 0.000 1.049 762 K CA 1.330 57.650 56.287 0.056 0.000 0.932 762 K CB -0.351 32.171 32.500 0.038 0.000 0.717 762 K HN 0.824 nan 8.250 nan 0.000 0.441 763 G N -0.020 108.833 108.800 0.088 0.000 2.642 763 G HA2 0.076 4.037 3.960 0.001 0.000 0.291 763 G HA3 0.076 4.037 3.960 0.001 0.000 0.291 763 G C 0.318 175.255 174.900 0.062 0.000 1.345 763 G CA -0.391 44.747 45.100 0.063 0.000 1.043 763 G HN 0.015 nan 8.290 nan 0.000 0.528 764 E N -0.930 119.293 120.200 0.040 0.000 2.122 764 E HA 0.032 4.382 4.350 0.001 0.000 0.190 764 E C 1.562 178.174 176.600 0.021 0.000 0.977 764 E CA 1.275 57.692 56.400 0.028 0.000 0.820 764 E CB 0.534 30.245 29.700 0.017 0.000 0.770 764 E HN 0.338 nan 8.360 nan 0.000 0.462 765 S N -0.601 115.112 115.700 0.022 0.000 2.490 765 S HA 0.089 4.560 4.470 0.001 0.000 0.280 765 S C -0.164 174.448 174.600 0.021 0.000 1.048 765 S CA -0.308 57.900 58.200 0.013 0.000 1.263 765 S CB 1.153 64.355 63.200 0.003 0.000 1.053 765 S HN 0.022 nan 8.310 nan 0.000 0.538 766 E N 1.831 122.047 120.200 0.027 0.000 2.244 766 E HA 0.611 4.961 4.350 0.001 0.000 0.266 766 E C -2.588 174.034 176.600 0.038 0.000 0.914 766 E CA -1.741 54.676 56.400 0.028 0.000 0.794 766 E CB 0.688 30.399 29.700 0.019 0.000 1.210 766 E HN -0.010 nan 8.360 nan 0.000 0.414 767 P HA 0.206 nan 4.420 nan 0.000 0.323 767 P C -0.797 176.522 177.300 0.031 0.000 1.319 767 P CA -0.399 62.726 63.100 0.042 0.000 0.741 767 P CB 0.440 32.164 31.700 0.040 0.000 1.545 768 T N -0.285 114.285 114.554 0.027 0.000 2.881 768 T HA 0.288 4.639 4.350 0.001 0.000 0.291 768 T C -2.216 172.495 174.700 0.017 0.000 0.990 768 T CA -0.887 61.225 62.100 0.020 0.000 0.976 768 T CB 1.491 70.370 68.868 0.018 0.000 0.970 768 T HN 0.123 nan 8.240 nan 0.000 0.438 769 P HA -0.107 nan 4.420 nan 0.000 0.217 769 P C 1.443 178.750 177.300 0.012 0.000 1.150 769 P CA 0.867 63.974 63.100 0.013 0.000 0.832 769 P CB 0.325 32.031 31.700 0.010 0.000 0.787 770 E N -0.059 120.147 120.200 0.011 0.000 2.122 770 E HA -0.134 4.217 4.350 0.001 0.000 0.190 770 E C 1.952 178.557 176.600 0.010 0.000 0.977 770 E CA 0.647 57.053 56.400 0.010 0.000 0.820 770 E CB -0.822 28.882 29.700 0.007 0.000 0.770 770 E HN 0.344 nan 8.360 nan 0.000 0.462 771 E N 1.398 121.603 120.200 0.008 0.000 2.358 771 E HA -0.146 4.205 4.350 0.001 0.000 0.195 771 E C 2.133 178.740 176.600 0.012 0.000 1.010 771 E CA 0.264 56.667 56.400 0.005 0.000 0.856 771 E CB 0.148 29.851 29.700 0.005 0.000 0.795 771 E HN 0.005 nan 8.360 nan 0.000 0.504 772 R N 0.558 121.068 120.500 0.017 0.000 2.073 772 R HA -0.097 4.244 4.340 0.001 0.000 0.229 772 R C 2.244 178.557 176.300 0.023 0.000 1.120 772 R CA 0.916 57.028 56.100 0.020 0.000 0.967 772 R CB -0.669 29.643 30.300 0.019 0.000 0.862 772 R HN 0.250 nan 8.270 nan 0.000 0.436 773 L N 0.239 121.475 121.223 0.022 0.000 2.072 773 L HA 0.022 4.362 4.340 0.001 0.000 0.205 773 L C 1.850 178.745 176.870 0.041 0.000 1.079 773 L CA 1.539 56.395 54.840 0.026 0.000 0.752 773 L CB -1.112 40.960 42.059 0.022 0.000 0.906 773 L HN 0.361 nan 8.230 nan 0.000 0.436 774 L N -0.201 121.046 121.223 0.041 0.000 1.989 774 L HA -0.185 4.155 4.340 0.001 0.000 0.211 774 L C 2.732 179.651 176.870 0.081 0.000 1.071 774 L CA 1.670 56.547 54.840 0.061 0.000 0.749 774 L CB -0.753 41.317 42.059 0.019 0.000 0.890 774 L HN 0.214 nan 8.230 nan 0.000 0.431 775 R N -0.347 120.180 120.500 0.045 0.000 2.080 775 R HA -0.110 4.230 4.340 0.001 0.000 0.236 775 R C 2.307 178.650 176.300 0.072 0.000 1.137 775 R CA 1.645 57.775 56.100 0.050 0.000 0.943 775 R CB -1.352 28.966 30.300 0.030 0.000 0.846 775 R HN 0.465 nan 8.270 nan 0.000 0.431 776 S N 1.331 117.062 115.700 0.051 0.000 2.365 776 S HA -0.141 4.329 4.470 0.001 0.000 0.225 776 S C 2.145 176.766 174.600 0.035 0.000 1.039 776 S CA 1.410 59.632 58.200 0.037 0.000 1.033 776 S CB -0.371 62.843 63.200 0.023 0.000 0.887 776 S HN 0.245 nan 8.310 nan 0.000 0.447 777 I N -0.022 120.578 120.570 0.050 0.000 2.091 777 I HA -0.231 3.939 4.170 0.001 0.000 0.239 777 I C 2.002 178.081 176.117 -0.064 0.000 1.061 777 I CA 1.742 63.044 61.300 0.003 0.000 1.317 777 I CB -0.367 37.669 38.000 0.061 0.000 1.031 777 I HN 0.208 nan 8.210 nan 0.000 0.401 778 F N 0.074 120.014 119.950 -0.016 0.000 2.473 778 F HA 0.241 4.769 4.527 0.001 0.000 0.294 778 F C 1.135 176.927 175.800 -0.013 0.000 1.103 778 F CA 0.682 58.672 58.000 -0.017 0.000 1.442 778 F CB 0.517 39.502 39.000 -0.024 0.000 1.097 778 F HN 0.049 nan 8.300 nan 0.000 0.547 779 G N 0.243 109.129 108.800 0.144 0.000 2.667 779 G HA2 0.111 4.072 3.960 0.001 0.000 0.244 779 G HA3 0.111 4.072 3.960 0.001 0.000 0.244 779 G C 0.309 175.246 174.900 0.062 0.000 3.242 779 G CA -0.108 45.041 45.100 0.082 0.000 0.634 779 G HN 0.230 nan 8.290 nan 0.000 0.410 780 E N 1.547 121.772 120.200 0.042 0.000 2.097 780 E HA -0.185 4.165 4.350 0.001 0.000 0.196 780 E C 1.009 177.628 176.600 0.031 0.000 1.000 780 E CA 1.217 57.637 56.400 0.034 0.000 0.804 780 E CB -0.156 29.558 29.700 0.024 0.000 0.740 780 E HN 0.489 nan 8.360 nan 0.000 0.454 781 K N 1.474 121.891 120.400 0.029 0.000 2.360 781 K HA 0.290 4.611 4.320 0.001 0.000 0.225 781 K C -0.668 175.949 176.600 0.028 0.000 1.246 781 K CA 0.095 56.397 56.287 0.025 0.000 1.198 781 K CB 0.327 32.839 32.500 0.021 0.000 1.348 781 K HN 0.221 nan 8.250 nan 0.000 0.232 782 A N 1.893 124.731 122.820 0.030 0.000 2.317 782 A HA 0.302 4.623 4.320 0.001 0.000 0.327 782 A C -0.138 177.460 177.584 0.023 0.000 1.178 782 A CA -0.882 51.176 52.037 0.036 0.000 0.817 782 A CB 0.648 19.674 19.000 0.044 0.000 1.189 782 A HN 0.565 nan 8.150 nan 0.000 0.489 783 R N 1.724 122.231 120.500 0.013 0.000 2.586 783 R HA -0.033 4.307 4.340 0.001 0.000 0.346 783 R C -0.276 175.994 176.300 -0.050 0.000 1.044 783 R CA -0.068 56.012 56.100 -0.033 0.000 1.004 783 R CB -0.027 30.235 30.300 -0.063 0.000 0.968 783 R HN 0.737 nan 8.270 nan 0.000 0.438 784 D N 1.181 121.549 120.400 -0.053 0.000 2.254 784 D HA -0.154 4.486 4.640 0.001 0.000 0.201 784 D C 0.900 177.108 176.300 -0.152 0.000 0.998 784 D CA 0.806 54.773 54.000 -0.055 0.000 0.885 784 D CB 0.057 40.842 40.800 -0.024 0.000 0.915 784 D HN 0.208 nan 8.370 nan 0.000 0.460 785 V N 0.439 120.177 119.914 -0.293 0.000 2.901 785 V HA -0.085 4.036 4.120 0.001 0.000 0.307 785 V C 0.632 176.555 176.094 -0.284 0.000 1.084 785 V CA 0.257 62.284 62.300 -0.455 0.000 1.184 785 V CB 0.895 32.418 31.823 -0.500 0.000 0.941 785 V HN -0.050 nan 8.190 nan 0.000 0.493 786 K N 2.864 123.107 120.400 -0.262 0.000 2.118 786 K HA 0.326 4.646 4.320 0.001 0.000 0.254 786 K C -0.803 175.669 176.600 -0.214 0.000 0.961 786 K CA -0.720 55.450 56.287 -0.194 0.000 0.876 786 K CB 1.070 33.515 32.500 -0.092 0.000 1.077 786 K HN 0.770 nan 8.250 nan 0.000 0.440 787 D N 1.512 121.769 120.400 -0.238 0.000 2.393 787 D HA 0.044 4.684 4.640 0.001 0.000 0.232 787 D C -0.864 175.368 176.300 -0.113 0.000 1.192 787 D CA -0.110 53.772 54.000 -0.195 0.000 0.882 787 D CB 0.406 41.070 40.800 -0.227 0.000 1.038 787 D HN 0.431 nan 8.370 nan 0.000 0.499 788 T N 0.462 114.962 114.554 -0.090 0.000 3.390 788 T HA 0.458 4.808 4.350 0.001 0.000 0.351 788 T C -0.318 174.351 174.700 -0.052 0.000 1.759 788 T CA -0.837 61.229 62.100 -0.057 0.000 1.561 788 T CB 0.044 68.892 68.868 -0.034 0.000 1.011 788 T HN 0.064 nan 8.240 nan 0.000 0.689 789 S N 2.477 118.142 115.700 -0.060 0.000 2.454 789 S HA 0.514 4.984 4.470 0.001 0.000 0.306 789 S C -0.064 174.502 174.600 -0.056 0.000 1.100 789 S CA -0.847 57.321 58.200 -0.054 0.000 1.087 789 S CB 1.195 64.358 63.200 -0.061 0.000 1.019 789 S HN 0.665 nan 8.310 nan 0.000 0.480 790 L N 4.641 125.834 121.223 -0.049 0.000 2.628 790 L HA 0.074 4.415 4.340 0.001 0.000 0.274 790 L C 0.368 177.186 176.870 -0.087 0.000 1.209 790 L CA 1.109 55.912 54.840 -0.061 0.000 0.930 790 L CB -0.086 41.947 42.059 -0.044 0.000 1.183 790 L HN 0.541 nan 8.230 nan 0.000 0.492 791 R N 3.129 123.562 120.500 -0.112 0.000 2.856 791 R HA 0.514 4.855 4.340 0.001 0.000 0.258 791 R C -1.099 175.081 176.300 -0.199 0.000 1.066 791 R CA -1.038 54.983 56.100 -0.131 0.000 1.045 791 R CB 1.368 31.601 30.300 -0.112 0.000 1.178 791 R HN 0.336 nan 8.270 nan 0.000 0.499 792 V N 4.044 123.835 119.914 -0.204 0.000 2.397 792 V HA 0.117 4.238 4.120 0.001 0.000 0.262 792 V C -1.950 174.002 176.094 -0.238 0.000 1.047 792 V CA -1.279 60.855 62.300 -0.277 0.000 1.003 792 V CB 0.334 32.037 31.823 -0.200 0.000 1.037 792 V HN 0.503 nan 8.190 nan 0.000 0.480 793 P HA 0.152 nan 4.420 nan 0.000 0.267 793 P C -2.481 174.696 177.300 -0.204 0.000 1.200 793 P CA -0.914 62.055 63.100 -0.218 0.000 0.772 793 P CB -0.127 31.466 31.700 -0.178 0.000 0.855 794 P HA 0.144 nan 4.420 nan 0.000 0.266 794 P C 0.785 177.980 177.300 -0.175 0.000 1.193 794 P CA 1.269 64.202 63.100 -0.277 0.000 0.770 794 P CB 0.198 31.607 31.700 -0.484 0.000 0.836 795 G N 1.520 110.313 108.800 -0.012 0.000 2.145 795 G HA2 -0.056 3.905 3.960 0.001 0.000 0.203 795 G HA3 -0.056 3.905 3.960 0.001 0.000 0.203 795 G C -1.201 173.755 174.900 0.094 0.000 1.096 795 G CA -0.430 44.745 45.100 0.125 0.000 1.282 795 G HN 0.502 nan 8.290 nan 0.000 0.474 796 E N -0.167 120.101 120.200 0.113 0.000 2.392 796 E HA 0.572 4.922 4.350 0.001 0.000 0.279 796 E C -0.381 176.303 176.600 0.140 0.000 0.964 796 E CA -0.067 56.398 56.400 0.108 0.000 0.777 796 E CB 1.834 31.611 29.700 0.129 0.000 1.249 796 E HN 1.084 nan 8.360 nan 0.000 0.449 797 G N -0.632 108.232 108.800 0.105 0.000 2.630 797 G HA2 0.708 4.669 3.960 0.001 0.000 0.296 797 G HA3 0.708 4.669 3.960 0.001 0.000 0.296 797 G C -0.278 174.700 174.900 0.129 0.000 1.285 797 G CA 0.035 45.214 45.100 0.131 0.000 0.958 797 G HN 0.456 nan 8.290 nan 0.000 0.479 798 G N -0.956 107.930 108.800 0.143 0.000 3.364 798 G HA2 0.551 4.511 3.960 0.001 0.000 0.191 798 G HA3 0.551 4.511 3.960 0.001 0.000 0.191 798 G C -0.323 174.627 174.900 0.083 0.000 1.352 798 G CA -0.408 44.758 45.100 0.109 0.000 0.758 798 G HN 0.818 nan 8.290 nan 0.000 0.730 799 I N 0.896 121.511 120.570 0.076 0.000 2.562 799 I HA 0.533 4.703 4.170 0.001 0.000 0.301 799 I C -0.352 175.806 176.117 0.069 0.000 1.003 799 I CA -1.067 60.266 61.300 0.055 0.000 1.127 799 I CB 1.462 39.479 38.000 0.029 0.000 1.304 799 I HN 0.018 nan 8.210 nan 0.000 0.446 800 V N 5.677 125.628 119.914 0.062 0.000 2.397 800 V HA 0.029 4.150 4.120 0.001 0.000 0.262 800 V C 1.441 177.568 176.094 0.055 0.000 1.047 800 V CA -0.108 62.239 62.300 0.077 0.000 1.003 800 V CB 0.825 32.688 31.823 0.067 0.000 1.037 800 V HN 0.765 nan 8.190 nan 0.000 0.480 801 V N 2.842 122.796 119.914 0.066 0.000 2.685 801 V HA 0.324 4.444 4.120 0.001 0.000 0.244 801 V C 0.854 176.956 176.094 0.013 0.000 1.054 801 V CA 0.552 62.864 62.300 0.019 0.000 1.076 801 V CB -0.279 31.543 31.823 -0.002 0.000 0.725 801 V HN 0.776 nan 8.190 nan 0.000 0.467 802 R N 0.374 120.913 120.500 0.065 0.000 2.739 802 R HA 0.690 5.031 4.340 0.001 0.000 0.271 802 R C -1.163 175.215 176.300 0.130 0.000 1.010 802 R CA 0.188 56.314 56.100 0.043 0.000 0.897 802 R CB 2.146 32.404 30.300 -0.070 0.000 1.236 802 R HN 0.459 nan 8.270 nan 0.000 0.466 803 T N -2.101 112.510 114.554 0.094 0.000 2.956 803 T HA 0.586 4.937 4.350 0.001 0.000 0.312 803 T C -0.856 173.899 174.700 0.093 0.000 1.151 803 T CA -0.754 61.415 62.100 0.114 0.000 1.024 803 T CB 1.771 70.684 68.868 0.075 0.000 1.140 803 T HN 0.217 nan 8.240 nan 0.000 0.473 804 V N 2.275 122.254 119.914 0.109 0.000 2.483 804 V HA 0.709 4.829 4.120 0.001 0.000 0.297 804 V C -0.127 176.005 176.094 0.063 0.000 1.027 804 V CA -0.916 61.434 62.300 0.084 0.000 0.855 804 V CB 1.631 33.522 31.823 0.113 0.000 0.995 804 V HN 1.059 nan 8.190 nan 0.000 0.424 805 R N 5.154 125.680 120.500 0.045 0.000 2.439 805 R HA 0.683 5.023 4.340 0.001 0.000 0.310 805 R C -1.639 174.679 176.300 0.029 0.000 0.955 805 R CA -0.684 55.437 56.100 0.035 0.000 0.853 805 R CB 1.360 31.677 30.300 0.029 0.000 1.171 805 R HN 0.772 nan 8.270 nan 0.000 0.449 806 L N 6.394 127.633 121.223 0.026 0.000 2.313 806 L HA 0.494 4.834 4.340 0.001 0.000 0.273 806 L C 0.302 177.183 176.870 0.019 0.000 1.028 806 L CA -0.915 53.938 54.840 0.021 0.000 0.871 806 L CB 0.913 42.983 42.059 0.017 0.000 1.242 806 L HN 0.608 nan 8.230 nan 0.000 0.434 807 R N 1.249 121.760 120.500 0.019 0.000 2.584 807 R HA 0.464 4.804 4.340 0.001 0.000 0.253 807 R C 0.925 177.235 176.300 0.017 0.000 1.251 807 R CA -0.847 55.264 56.100 0.018 0.000 1.129 807 R CB 0.457 30.767 30.300 0.018 0.000 1.239 807 R HN 0.343 nan 8.270 nan 0.000 0.595 808 R N 0.390 120.900 120.500 0.017 0.000 2.264 808 R HA -0.169 4.172 4.340 0.001 0.000 0.223 808 R C 1.273 177.583 176.300 0.017 0.000 1.090 808 R CA 1.779 57.889 56.100 0.017 0.000 0.857 808 R CB -1.358 28.952 30.300 0.016 0.000 0.835 808 R HN 0.768 nan 8.270 nan 0.000 0.428 809 G N 3.047 111.858 108.800 0.018 0.000 2.778 809 G HA2 0.002 3.962 3.960 0.001 0.000 0.287 809 G HA3 0.002 3.962 3.960 0.001 0.000 0.287 809 G C -0.744 174.169 174.900 0.022 0.000 0.747 809 G CA -0.318 44.794 45.100 0.020 0.000 1.961 809 G HN 0.245 nan 8.290 nan 0.000 0.539 810 D N 3.038 123.451 120.400 0.021 0.000 2.401 810 D HA 0.065 4.706 4.640 0.001 0.000 0.254 810 D C -0.920 175.398 176.300 0.029 0.000 1.192 810 D CA -0.805 53.207 54.000 0.020 0.000 0.885 810 D CB 1.877 42.683 40.800 0.011 0.000 1.147 810 D HN 0.168 nan 8.370 nan 0.000 0.478 811 P HA -0.068 nan 4.420 nan 0.000 0.210 811 P C 0.819 178.172 177.300 0.088 0.000 1.185 811 P CA 1.053 64.188 63.100 0.059 0.000 0.924 811 P CB 0.330 32.066 31.700 0.060 0.000 0.786 812 G N -1.539 107.304 108.800 0.071 0.000 5.602 812 G HA2 0.360 4.321 3.960 0.001 0.000 0.197 812 G HA3 0.360 4.321 3.960 0.001 0.000 0.197 812 G C -0.658 174.142 174.900 -0.166 0.000 0.705 812 G CA -0.047 45.099 45.100 0.076 0.000 0.662 812 G HN 0.388 nan 8.290 nan 0.000 0.365 813 V N -0.914 118.943 119.914 -0.096 0.000 2.837 813 V HA 0.849 4.969 4.120 0.001 0.000 0.310 813 V C -0.449 175.591 176.094 -0.089 0.000 1.059 813 V CA -0.904 61.323 62.300 -0.121 0.000 1.004 813 V CB 1.886 33.676 31.823 -0.056 0.000 1.045 813 V HN 0.328 nan 8.190 nan 0.000 0.465 814 E N 4.699 124.845 120.200 -0.091 0.000 2.173 814 E HA 0.353 4.704 4.350 0.001 0.000 0.249 814 E C -0.980 175.606 176.600 -0.023 0.000 0.923 814 E CA -0.689 55.681 56.400 -0.049 0.000 0.754 814 E CB 1.672 31.340 29.700 -0.054 0.000 1.177 814 E HN 0.677 nan 8.360 nan 0.000 0.430 815 L N 2.785 124.003 121.223 -0.010 0.000 2.319 815 L HA 0.223 4.563 4.340 0.001 0.000 0.280 815 L C -0.050 176.824 176.870 0.008 0.000 1.099 815 L CA -0.121 54.720 54.840 0.001 0.000 0.828 815 L CB 0.524 42.586 42.059 0.005 0.000 1.150 815 L HN 0.278 nan 8.230 nan 0.000 0.442 816 K N 5.255 125.661 120.400 0.011 0.000 2.230 816 K HA 0.244 4.565 4.320 0.001 0.000 0.253 816 K C -2.250 174.359 176.600 0.014 0.000 1.008 816 K CA -1.270 55.026 56.287 0.015 0.000 0.910 816 K CB -0.362 32.148 32.500 0.017 0.000 0.994 816 K HN 0.454 nan 8.250 nan 0.000 0.495 817 P HA -0.007 nan 4.420 nan 0.000 0.272 817 P C 0.682 177.989 177.300 0.012 0.000 1.223 817 P CA 0.459 63.567 63.100 0.013 0.000 0.784 817 P CB 0.706 32.414 31.700 0.013 0.000 0.923 818 G N 0.645 109.451 108.800 0.009 0.000 2.435 818 G HA2 -0.280 3.681 3.960 0.001 0.000 0.245 818 G HA3 -0.280 3.681 3.960 0.001 0.000 0.245 818 G C 0.132 175.039 174.900 0.011 0.000 1.073 818 G CA 0.272 45.377 45.100 0.008 0.000 0.638 818 G HN 0.557 nan 8.290 nan 0.000 0.521 819 V N 2.557 122.479 119.914 0.013 0.000 2.403 819 V HA 0.270 4.391 4.120 0.001 0.000 0.265 819 V C 1.777 177.880 176.094 0.015 0.000 1.034 819 V CA 1.117 63.426 62.300 0.015 0.000 1.036 819 V CB 0.934 32.766 31.823 0.015 0.000 1.032 819 V HN 0.554 nan 8.190 nan 0.000 0.478 820 R N 3.491 124.002 120.500 0.017 0.000 2.066 820 R HA -0.018 4.323 4.340 0.001 0.000 0.232 820 R C 0.840 177.151 176.300 0.018 0.000 1.131 820 R CA 1.429 57.540 56.100 0.017 0.000 0.955 820 R CB 0.326 30.639 30.300 0.021 0.000 0.851 820 R HN 0.827 nan 8.270 nan 0.000 0.432 821 E N -0.277 119.934 120.200 0.019 0.000 2.388 821 E HA 0.155 4.506 4.350 0.001 0.000 0.281 821 E C -1.667 174.945 176.600 0.020 0.000 1.046 821 E CA -0.565 55.846 56.400 0.019 0.000 0.825 821 E CB 1.880 31.592 29.700 0.020 0.000 1.243 821 E HN 0.010 nan 8.360 nan 0.000 0.438 822 V N -0.679 119.248 119.914 0.021 0.000 2.919 822 V HA 0.864 4.984 4.120 0.001 0.000 0.316 822 V C -0.578 175.532 176.094 0.028 0.000 1.077 822 V CA -0.721 61.593 62.300 0.024 0.000 0.977 822 V CB 1.773 33.611 31.823 0.024 0.000 1.039 822 V HN 0.396 nan 8.190 nan 0.000 0.441 823 V N 2.672 122.604 119.914 0.031 0.000 2.509 823 V HA 0.497 4.617 4.120 0.001 0.000 0.289 823 V C -0.023 176.097 176.094 0.044 0.000 1.026 823 V CA -0.479 61.843 62.300 0.037 0.000 0.872 823 V CB 1.273 33.114 31.823 0.030 0.000 1.017 823 V HN 0.958 nan 8.190 nan 0.000 0.436 824 R N 2.549 123.086 120.500 0.063 0.000 2.410 824 R HA 0.750 5.090 4.340 0.001 0.000 0.288 824 R C -1.078 175.279 176.300 0.095 0.000 1.051 824 R CA -0.320 55.819 56.100 0.065 0.000 1.021 824 R CB 1.727 32.106 30.300 0.132 0.000 1.032 824 R HN 0.531 nan 8.270 nan 0.000 0.481 825 V N 4.992 124.938 119.914 0.052 0.000 2.439 825 V HA 0.201 4.321 4.120 0.001 0.000 0.277 825 V C -1.228 174.919 176.094 0.089 0.000 1.008 825 V CA -0.885 61.485 62.300 0.117 0.000 0.846 825 V CB 0.773 32.672 31.823 0.127 0.000 1.031 825 V HN 0.658 nan 8.190 nan 0.000 0.441 826 Y N 3.063 123.396 120.300 0.055 0.000 2.359 826 Y HA 0.566 5.117 4.550 0.001 0.000 0.334 826 Y C 0.374 176.305 175.900 0.052 0.000 1.058 826 Y CA -0.229 57.883 58.100 0.018 0.000 1.244 826 Y CB 1.516 39.974 38.460 -0.004 0.000 1.187 826 Y HN 0.405 nan 8.280 nan 0.000 0.510 827 V N 2.852 122.867 119.914 0.169 0.000 2.769 827 V HA 0.911 5.031 4.120 0.001 0.000 0.312 827 V C -0.294 175.885 176.094 0.141 0.000 1.061 827 V CA -1.054 61.358 62.300 0.186 0.000 0.931 827 V CB 1.691 33.703 31.823 0.314 0.000 1.010 827 V HN 0.831 nan 8.190 nan 0.000 0.433 828 A N 3.008 125.906 122.820 0.130 0.000 2.454 828 A HA 0.920 5.241 4.320 0.001 0.000 0.302 828 A C -0.988 176.669 177.584 0.122 0.000 1.079 828 A CA -0.602 51.508 52.037 0.121 0.000 0.731 828 A CB 2.217 21.274 19.000 0.095 0.000 1.299 828 A HN 0.821 nan 8.150 nan 0.000 0.413 829 Q N 0.734 120.621 119.800 0.144 0.000 2.391 829 Q HA 0.403 4.743 4.340 0.001 0.000 0.279 829 Q C -1.569 174.510 176.000 0.132 0.000 1.028 829 Q CA -0.665 55.217 55.803 0.131 0.000 0.836 829 Q CB 1.819 30.649 28.738 0.152 0.000 1.414 829 Q HN 0.700 nan 8.270 nan 0.000 0.397 830 K N 3.046 123.505 120.400 0.098 0.000 2.276 830 K HA 0.307 4.628 4.320 0.001 0.000 0.285 830 K C -0.797 175.856 176.600 0.088 0.000 1.062 830 K CA -0.246 56.095 56.287 0.091 0.000 0.918 830 K CB 0.633 33.173 32.500 0.066 0.000 1.055 830 K HN 0.502 nan 8.250 nan 0.000 0.477 831 R N 4.368 124.921 120.500 0.088 0.000 2.230 831 R HA 0.142 4.482 4.340 0.001 0.000 0.337 831 R C -0.564 175.766 176.300 0.050 0.000 1.063 831 R CA -0.402 55.736 56.100 0.064 0.000 0.935 831 R CB 0.891 31.214 30.300 0.039 0.000 1.121 831 R HN 0.369 nan 8.270 nan 0.000 0.486 832 K N 3.007 123.438 120.400 0.053 0.000 2.276 832 K HA 0.118 4.438 4.320 0.001 0.000 0.285 832 K C -0.063 176.565 176.600 0.046 0.000 1.062 832 K CA -0.920 55.402 56.287 0.059 0.000 0.918 832 K CB 1.038 33.572 32.500 0.056 0.000 1.055 832 K HN 0.165 nan 8.250 nan 0.000 0.477 833 L N 4.430 125.692 121.223 0.064 0.000 2.737 833 L HA -0.195 4.146 4.340 0.001 0.000 0.279 833 L C 0.151 177.028 176.870 0.011 0.000 1.200 833 L CA 1.263 56.121 54.840 0.030 0.000 0.952 833 L CB -0.447 41.649 42.059 0.060 0.000 1.240 833 L HN 0.683 nan 8.230 nan 0.000 0.486 834 Q N 2.668 122.470 119.800 0.003 0.000 2.495 834 Q HA 0.395 4.735 4.340 0.001 0.000 0.283 834 Q C 0.627 176.641 176.000 0.024 0.000 1.097 834 Q CA -0.676 55.140 55.803 0.021 0.000 0.836 834 Q CB 1.181 29.947 28.738 0.047 0.000 1.426 834 Q HN 0.242 nan 8.270 nan 0.000 0.459 835 V N 1.398 121.329 119.914 0.030 0.000 2.453 835 V HA -0.198 3.922 4.120 0.001 0.000 0.252 835 V C 1.639 177.766 176.094 0.055 0.000 1.068 835 V CA 2.854 65.175 62.300 0.035 0.000 1.070 835 V CB -0.911 30.937 31.823 0.041 0.000 0.664 835 V HN 0.960 nan 8.190 nan 0.000 0.461 836 G N -0.923 107.926 108.800 0.081 0.000 2.448 836 G HA2 -0.114 3.846 3.960 0.001 0.000 0.218 836 G HA3 -0.114 3.846 3.960 0.001 0.000 0.218 836 G C 0.412 175.415 174.900 0.171 0.000 1.135 836 G CA 0.488 45.650 45.100 0.103 0.000 0.784 836 G HN 0.593 nan 8.290 nan 0.000 0.543 837 D N 0.385 120.892 120.400 0.179 0.000 2.361 837 D HA 0.466 5.107 4.640 0.001 0.000 0.239 837 D C 0.061 176.410 176.300 0.082 0.000 1.200 837 D CA 0.299 54.397 54.000 0.164 0.000 0.915 837 D CB 0.821 41.564 40.800 -0.096 0.000 1.170 837 D HN 0.108 nan 8.370 nan 0.000 0.444 838 K N 0.341 120.782 120.400 0.068 0.000 2.371 838 K HA 0.719 5.040 4.320 0.001 0.000 0.251 838 K C -0.955 175.638 176.600 -0.012 0.000 0.934 838 K CA -0.595 55.707 56.287 0.025 0.000 0.798 838 K CB 1.416 33.941 32.500 0.043 0.000 1.204 838 K HN 0.302 nan 8.250 nan 0.000 0.427 839 L N 0.250 121.446 121.223 -0.045 0.000 2.371 839 L HA 0.988 5.329 4.340 0.001 0.000 0.262 839 L C -0.824 176.009 176.870 -0.062 0.000 1.006 839 L CA -1.423 53.372 54.840 -0.075 0.000 0.818 839 L CB 2.353 44.314 42.059 -0.163 0.000 1.354 839 L HN 0.797 nan 8.230 nan 0.000 0.415 840 A N 1.234 124.016 122.820 -0.063 0.000 2.589 840 A HA 0.602 4.922 4.320 0.001 0.000 0.296 840 A C -1.571 175.981 177.584 -0.054 0.000 1.062 840 A CA -0.603 51.409 52.037 -0.042 0.000 0.686 840 A CB 1.892 20.886 19.000 -0.010 0.000 1.282 840 A HN 0.827 nan 8.150 nan 0.000 0.404 841 N N 0.114 118.806 118.700 -0.013 0.000 2.495 841 N HA 0.353 5.094 4.740 0.001 0.000 0.280 841 N C 0.880 176.425 175.510 0.057 0.000 1.168 841 N CA -0.628 52.438 53.050 0.026 0.000 0.978 841 N CB 0.872 39.417 38.487 0.096 0.000 1.191 841 N HN 0.567 nan 8.380 nan 0.000 0.497 842 R N 0.080 120.627 120.500 0.077 0.000 2.226 842 R HA -0.189 4.152 4.340 0.001 0.000 0.246 842 R C 1.142 177.372 176.300 -0.118 0.000 1.161 842 R CA 1.392 57.479 56.100 -0.021 0.000 0.997 842 R CB -0.444 29.805 30.300 -0.086 0.000 0.870 842 R HN 0.648 nan 8.270 nan 0.000 0.465 843 H N -1.659 117.441 119.070 0.049 0.000 2.307 843 H HA 0.018 4.575 4.556 0.001 0.000 0.303 843 H C 1.759 177.095 175.328 0.014 0.000 1.073 843 H CA 1.842 57.903 56.048 0.021 0.000 1.338 843 H CB 0.276 30.052 29.762 0.025 0.000 1.389 843 H HN 0.489 nan 8.280 nan 0.000 0.503 844 G N -0.521 108.362 108.800 0.137 0.000 4.226 844 G HA2 -0.179 3.782 3.960 0.001 0.000 0.220 844 G HA3 -0.179 3.782 3.960 0.001 0.000 0.220 844 G C -0.062 174.866 174.900 0.047 0.000 0.817 844 G CA -0.464 44.679 45.100 0.072 0.000 0.879 844 G HN 0.138 nan 8.290 nan 0.000 0.669 845 N N 2.131 120.863 118.700 0.053 0.000 2.416 845 N HA 0.235 4.976 4.740 0.001 0.000 0.271 845 N C -0.149 175.365 175.510 0.005 0.000 1.245 845 N CA 0.601 53.662 53.050 0.019 0.000 0.940 845 N CB 0.310 38.806 38.487 0.014 0.000 1.175 845 N HN 0.405 nan 8.380 nan 0.000 0.483 846 K N 1.394 121.792 120.400 -0.003 0.000 2.208 846 K HA 0.782 5.103 4.320 0.001 0.000 0.247 846 K C 0.058 176.649 176.600 -0.017 0.000 0.953 846 K CA -1.104 55.178 56.287 -0.008 0.000 0.837 846 K CB 1.972 34.471 32.500 -0.000 0.000 1.131 846 K HN 0.539 nan 8.250 nan 0.000 0.431 847 G N 0.162 108.952 108.800 -0.017 0.000 2.411 847 G HA2 0.325 4.285 3.960 0.001 0.000 0.295 847 G HA3 0.325 4.285 3.960 0.001 0.000 0.295 847 G C -1.765 173.128 174.900 -0.012 0.000 1.542 847 G CA -0.666 44.425 45.100 -0.016 0.000 0.814 847 G HN 0.303 nan 8.290 nan 0.000 0.557 848 V N 0.180 120.096 119.914 0.002 0.000 2.713 848 V HA 0.546 4.666 4.120 0.001 0.000 0.307 848 V C 0.509 176.609 176.094 0.010 0.000 1.052 848 V CA -0.755 61.552 62.300 0.011 0.000 0.967 848 V CB 1.915 33.754 31.823 0.026 0.000 1.019 848 V HN 0.666 nan 8.190 nan 0.000 0.459 849 V N 3.812 123.727 119.914 0.002 0.000 2.479 849 V HA 0.247 4.368 4.120 0.001 0.000 0.281 849 V C 1.018 177.135 176.094 0.038 0.000 1.031 849 V CA 0.933 63.231 62.300 -0.003 0.000 1.038 849 V CB 0.777 32.581 31.823 -0.033 0.000 0.981 849 V HN 1.090 nan 8.190 nan 0.000 0.478 850 A N 5.243 128.107 122.820 0.073 0.000 2.063 850 A HA 0.337 4.657 4.320 0.001 0.000 0.211 850 A C 0.910 178.584 177.584 0.150 0.000 1.177 850 A CA 0.449 52.578 52.037 0.154 0.000 0.759 850 A CB 0.232 19.382 19.000 0.251 0.000 0.857 850 A HN 0.655 nan 8.150 nan 0.000 0.468 851 K N -0.100 120.310 120.400 0.017 0.000 2.571 851 K HA 0.475 4.795 4.320 0.001 0.000 0.252 851 K C -1.816 174.679 176.600 -0.175 0.000 0.956 851 K CA -0.271 55.919 56.287 -0.162 0.000 0.822 851 K CB 0.558 32.654 32.500 -0.673 0.000 1.286 851 K HN 0.081 nan 8.250 nan 0.000 0.439 852 I N 5.732 126.225 120.570 -0.128 0.000 2.256 852 I HA 0.190 4.360 4.170 0.001 0.000 0.294 852 I C -0.204 175.843 176.117 -0.117 0.000 1.127 852 I CA -0.826 60.410 61.300 -0.106 0.000 1.247 852 I CB 0.225 38.190 38.000 -0.059 0.000 1.460 852 I HN 0.479 nan 8.210 nan 0.000 0.511 853 L N 9.122 130.262 121.223 -0.138 0.000 2.439 853 L HA 0.284 4.624 4.340 0.001 0.000 0.269 853 L C -2.078 174.757 176.870 -0.059 0.000 1.179 853 L CA -1.082 53.698 54.840 -0.100 0.000 0.828 853 L CB 0.265 42.268 42.059 -0.092 0.000 1.106 853 L HN 0.295 nan 8.230 nan 0.000 0.467 854 P HA 0.011 nan 4.420 nan 0.000 0.280 854 P C 0.650 177.938 177.300 -0.020 0.000 1.244 854 P CA -0.287 62.799 63.100 -0.024 0.000 0.784 854 P CB 1.078 32.770 31.700 -0.013 0.000 0.913 855 V N 3.451 123.348 119.914 -0.028 0.000 2.660 855 V HA -0.304 3.817 4.120 0.001 0.000 0.257 855 V C 1.580 177.659 176.094 -0.025 0.000 1.088 855 V CA 2.055 64.339 62.300 -0.027 0.000 1.106 855 V CB -1.061 30.743 31.823 -0.033 0.000 0.686 855 V HN 0.545 nan 8.190 nan 0.000 0.481 856 E N 0.866 121.053 120.200 -0.022 0.000 2.097 856 E HA -0.212 4.138 4.350 0.001 0.000 0.196 856 E C 1.328 177.912 176.600 -0.027 0.000 1.000 856 E CA 1.694 58.077 56.400 -0.028 0.000 0.804 856 E CB -0.238 29.453 29.700 -0.015 0.000 0.740 856 E HN 0.930 nan 8.360 nan 0.000 0.454 857 D N -0.364 120.046 120.400 0.016 0.000 2.527 857 D HA 0.069 4.709 4.640 0.001 0.000 0.224 857 D C 0.528 176.917 176.300 0.148 0.000 1.217 857 D CA -0.111 53.924 54.000 0.058 0.000 0.819 857 D CB 0.068 40.907 40.800 0.065 0.000 1.061 857 D HN 0.148 nan 8.370 nan 0.000 0.515 858 M N 0.261 119.939 119.600 0.129 0.000 2.202 858 M HA 0.416 4.896 4.480 0.001 0.000 0.316 858 M C -2.535 173.900 176.300 0.224 0.000 1.138 858 M CA -1.685 53.731 55.300 0.194 0.000 1.151 858 M CB -0.444 32.166 32.600 0.018 0.000 1.422 858 M HN -0.432 nan 8.290 nan 0.000 0.471 859 P HA -0.113 nan 4.420 nan 0.000 0.255 859 P C -1.263 176.166 177.300 0.214 0.000 1.161 859 P CA 0.873 64.118 63.100 0.242 0.000 0.768 859 P CB -0.118 31.680 31.700 0.163 0.000 0.746 860 H N 3.232 122.338 119.070 0.059 0.000 2.622 860 H HA 0.447 5.003 4.556 0.001 0.000 0.363 860 H C -0.512 174.754 175.328 -0.104 0.000 1.151 860 H CA -1.397 54.655 56.048 0.006 0.000 1.184 860 H CB 0.720 30.506 29.762 0.040 0.000 1.643 860 H HN 0.258 nan 8.280 nan 0.000 0.531 861 L N 2.897 124.050 121.223 -0.116 0.000 2.472 861 L HA 0.167 4.508 4.340 0.001 0.000 0.260 861 L C -1.386 175.256 176.870 -0.380 0.000 1.209 861 L CA -1.686 53.032 54.840 -0.203 0.000 0.817 861 L CB 0.814 42.894 42.059 0.036 0.000 1.106 861 L HN 0.363 nan 8.230 nan 0.000 0.479 862 P HA -0.202 nan 4.420 nan 0.000 0.216 862 P C -0.654 176.627 177.300 -0.031 0.000 1.167 862 P CA 1.370 64.254 63.100 -0.360 0.000 0.914 862 P CB -0.042 31.631 31.700 -0.046 0.000 0.793 863 D N -1.492 118.988 120.400 0.134 0.000 2.389 863 D HA 0.094 4.734 4.640 0.001 0.000 0.247 863 D C 1.599 177.998 176.300 0.164 0.000 1.128 863 D CA 0.243 54.350 54.000 0.179 0.000 0.884 863 D CB 0.349 41.312 40.800 0.272 0.000 1.194 863 D HN 0.008 nan 8.370 nan 0.000 0.441 864 G N 2.815 111.713 108.800 0.162 0.000 2.743 864 G HA2 -0.258 3.703 3.960 0.001 0.000 0.222 864 G HA3 -0.258 3.703 3.960 0.001 0.000 0.222 864 G C 0.917 175.906 174.900 0.148 0.000 1.085 864 G CA 1.276 46.474 45.100 0.163 0.000 0.716 864 G HN 0.667 nan 8.290 nan 0.000 0.604 865 T N 2.338 116.984 114.554 0.154 0.000 2.758 865 T HA 0.362 4.713 4.350 0.001 0.000 0.281 865 T C -2.285 172.488 174.700 0.122 0.000 0.963 865 T CA -1.348 60.838 62.100 0.143 0.000 1.201 865 T CB 1.057 70.046 68.868 0.202 0.000 0.906 865 T HN 0.057 nan 8.240 nan 0.000 0.528 866 P HA 0.390 nan 4.420 nan 0.000 0.290 866 P C -0.090 177.219 177.300 0.015 0.000 1.275 866 P CA -0.826 62.318 63.100 0.073 0.000 0.841 866 P CB 1.020 32.752 31.700 0.054 0.000 1.042 867 V N -0.424 119.487 119.914 -0.004 0.000 2.924 867 V HA 0.181 4.301 4.120 0.001 0.000 0.305 867 V C 0.348 176.401 176.094 -0.069 0.000 1.073 867 V CA 0.379 62.647 62.300 -0.054 0.000 1.098 867 V CB 0.048 31.834 31.823 -0.063 0.000 1.000 867 V HN 0.387 nan 8.190 nan 0.000 0.484 868 D N 2.016 122.369 120.400 -0.078 0.000 2.338 868 D HA 0.229 4.869 4.640 0.001 0.000 0.224 868 D C 0.389 176.624 176.300 -0.109 0.000 0.967 868 D CA 0.831 54.787 54.000 -0.073 0.000 0.896 868 D CB 0.481 41.269 40.800 -0.021 0.000 1.028 868 D HN 0.540 nan 8.370 nan 0.000 0.493 869 V N 0.897 120.740 119.914 -0.119 0.000 2.876 869 V HA 0.490 4.611 4.120 0.001 0.000 0.312 869 V C -1.726 174.272 176.094 -0.159 0.000 1.085 869 V CA -0.991 61.220 62.300 -0.149 0.000 0.945 869 V CB 1.946 33.687 31.823 -0.137 0.000 1.017 869 V HN 0.056 nan 8.190 nan 0.000 0.428 870 I N 6.587 127.036 120.570 -0.201 0.000 2.390 870 I HA 0.471 4.641 4.170 0.001 0.000 0.283 870 I C -0.601 175.448 176.117 -0.113 0.000 1.016 870 I CA -0.492 60.694 61.300 -0.190 0.000 1.151 870 I CB 1.285 39.065 38.000 -0.367 0.000 1.293 870 I HN 0.333 nan 8.210 nan 0.000 0.458 871 L N 4.633 125.814 121.223 -0.069 0.000 2.312 871 L HA 0.407 4.747 4.340 0.001 0.000 0.281 871 L C 0.369 177.228 176.870 -0.018 0.000 1.070 871 L CA -0.588 54.226 54.840 -0.044 0.000 0.805 871 L CB 0.763 42.795 42.059 -0.044 0.000 1.174 871 L HN 0.568 nan 8.230 nan 0.000 0.434 872 N N 3.687 122.380 118.700 -0.012 0.000 2.475 872 N HA 0.117 4.857 4.740 0.001 0.000 0.267 872 N C -1.923 173.573 175.510 -0.023 0.000 1.169 872 N CA -1.386 51.662 53.050 -0.004 0.000 0.947 872 N CB 1.206 39.680 38.487 -0.021 0.000 1.061 872 N HN 0.271 nan 8.380 nan 0.000 0.466 873 P HA -0.052 nan 4.420 nan 0.000 0.217 873 P C 1.308 178.587 177.300 -0.036 0.000 1.151 873 P CA 0.701 63.788 63.100 -0.022 0.000 0.828 873 P CB 0.231 31.927 31.700 -0.007 0.000 0.788 874 L N -0.696 120.502 121.223 -0.041 0.000 2.129 874 L HA -0.116 4.224 4.340 0.001 0.000 0.212 874 L C 2.314 179.140 176.870 -0.073 0.000 1.087 874 L CA 2.077 56.882 54.840 -0.058 0.000 0.757 874 L CB -1.676 40.336 42.059 -0.078 0.000 0.896 874 L HN 0.033 nan 8.230 nan 0.000 0.434 875 G N -1.920 106.832 108.800 -0.080 0.000 2.848 875 G HA2 0.065 4.026 3.960 0.001 0.000 0.208 875 G HA3 0.065 4.026 3.960 0.001 0.000 0.208 875 G C 1.276 176.143 174.900 -0.056 0.000 1.152 875 G CA 0.595 45.648 45.100 -0.077 0.000 0.789 875 G HN 0.274 nan 8.290 nan 0.000 0.531 876 V N 1.131 121.014 119.914 -0.053 0.000 2.788 876 V HA 0.049 4.170 4.120 0.001 0.000 0.241 876 V C 0.276 176.343 176.094 -0.047 0.000 1.083 876 V CA 0.960 63.229 62.300 -0.052 0.000 1.103 876 V CB 0.165 31.951 31.823 -0.061 0.000 0.800 876 V HN 0.174 nan 8.190 nan 0.000 0.476 877 P HA -0.159 nan 4.420 nan 0.000 0.213 877 P C 1.919 179.202 177.300 -0.029 0.000 1.170 877 P CA 2.458 65.537 63.100 -0.035 0.000 0.898 877 P CB -0.205 31.477 31.700 -0.030 0.000 0.787 878 S N 1.079 116.761 115.700 -0.030 0.000 2.392 878 S HA -0.198 4.273 4.470 0.001 0.000 0.225 878 S C 1.376 175.965 174.600 -0.019 0.000 1.041 878 S CA 0.815 59.000 58.200 -0.024 0.000 1.100 878 S CB -1.621 61.560 63.200 -0.031 0.000 1.029 878 S HN 0.142 nan 8.310 nan 0.000 0.424 879 R N 1.355 121.842 120.500 -0.023 0.000 2.784 879 R HA 0.362 4.702 4.340 0.001 0.000 0.266 879 R C -0.385 175.906 176.300 -0.015 0.000 1.044 879 R CA 0.428 56.519 56.100 -0.014 0.000 1.151 879 R CB -0.007 30.284 30.300 -0.015 0.000 1.037 879 R HN 0.468 nan 8.270 nan 0.000 0.478 880 M N 2.644 122.242 119.600 -0.005 0.000 2.027 880 M HA 0.256 4.736 4.480 0.001 0.000 0.329 880 M C -0.792 175.504 176.300 -0.007 0.000 0.971 880 M CA -0.124 55.171 55.300 -0.008 0.000 0.933 880 M CB 0.772 33.375 32.600 0.004 0.000 1.392 880 M HN 0.668 nan 8.290 nan 0.000 0.394 881 N N 2.885 121.565 118.700 -0.034 0.000 2.751 881 N HA 0.281 5.021 4.740 0.001 0.000 0.238 881 N C -0.363 175.062 175.510 -0.141 0.000 1.351 881 N CA -0.532 52.480 53.050 -0.063 0.000 0.751 881 N CB 0.800 39.263 38.487 -0.040 0.000 1.342 881 N HN 0.551 nan 8.380 nan 0.000 0.540 882 L N 0.727 121.883 121.223 -0.111 0.000 2.376 882 L HA 0.094 4.434 4.340 0.001 0.000 0.219 882 L C 2.534 179.248 176.870 -0.260 0.000 1.133 882 L CA 1.108 55.849 54.840 -0.164 0.000 0.816 882 L CB -0.230 41.753 42.059 -0.127 0.000 0.933 882 L HN 0.740 nan 8.230 nan 0.000 0.449 883 G N 0.680 109.317 108.800 -0.272 0.000 2.475 883 G HA2 -0.300 3.660 3.960 0.001 0.000 0.220 883 G HA3 -0.300 3.660 3.960 0.001 0.000 0.220 883 G C 1.499 175.942 174.900 -0.762 0.000 1.125 883 G CA 0.916 45.782 45.100 -0.390 0.000 0.755 883 G HN 0.605 nan 8.290 nan 0.000 0.565 884 Q N -0.317 118.931 119.800 -0.920 0.000 2.119 884 Q HA 0.044 4.385 4.340 0.001 0.000 0.201 884 Q C 2.314 178.158 176.000 -0.259 0.000 0.972 884 Q CA 0.777 56.328 55.803 -0.420 0.000 0.847 884 Q CB -0.295 28.334 28.738 -0.182 0.000 0.903 884 Q HN 0.382 nan 8.270 nan 0.000 0.433 885 I N 0.677 121.041 120.570 -0.343 0.000 2.676 885 I HA -0.114 4.056 4.170 0.001 0.000 0.259 885 I C 2.075 177.718 176.117 -0.790 0.000 1.194 885 I CA 0.761 61.788 61.300 -0.456 0.000 1.473 885 I CB -0.508 37.275 38.000 -0.360 0.000 1.096 885 I HN 0.222 nan 8.210 nan 0.000 0.443 886 L N 0.344 121.176 121.223 -0.652 0.000 2.209 886 L HA -0.114 4.226 4.340 0.001 0.000 0.207 886 L C 2.501 178.984 176.870 -0.645 0.000 1.094 886 L CA 0.990 55.304 54.840 -0.877 0.000 0.790 886 L CB -0.196 41.127 42.059 -1.226 0.000 0.932 886 L HN 0.185 nan 8.230 nan 0.000 0.447 887 E N -0.883 119.238 120.200 -0.131 0.000 2.072 887 E HA -0.211 4.140 4.350 0.001 0.000 0.191 887 E C 1.812 178.484 176.600 0.120 0.000 0.985 887 E CA 1.746 58.343 56.400 0.329 0.000 0.801 887 E CB 0.070 30.032 29.700 0.437 0.000 0.750 887 E HN 0.443 nan 8.360 nan 0.000 0.452 888 T N -0.101 114.435 114.554 -0.030 0.000 2.684 888 T HA -0.199 4.151 4.350 0.001 0.000 0.267 888 T C 1.492 176.253 174.700 0.101 0.000 1.036 888 T CA 1.816 63.920 62.100 0.007 0.000 1.148 888 T CB -0.663 68.175 68.868 -0.049 0.000 0.863 888 T HN 0.448 nan 8.240 nan 0.000 0.436 889 H N 0.437 119.467 119.070 -0.067 0.000 2.299 889 H HA 0.096 4.653 4.556 0.001 0.000 0.302 889 H C 2.467 177.778 175.328 -0.028 0.000 1.078 889 H CA 1.047 57.044 56.048 -0.086 0.000 1.323 889 H CB -0.194 29.479 29.762 -0.150 0.000 1.381 889 H HN 0.146 nan 8.280 nan 0.000 0.498 890 L N 0.864 122.153 121.223 0.111 0.000 2.042 890 L HA -0.109 4.231 4.340 0.001 0.000 0.210 890 L C 2.572 179.520 176.870 0.130 0.000 1.076 890 L CA 1.556 56.429 54.840 0.054 0.000 0.749 890 L CB -0.561 41.558 42.059 0.100 0.000 0.893 890 L HN 0.297 nan 8.230 nan 0.000 0.432 891 G N 0.123 109.031 108.800 0.181 0.000 2.440 891 G HA2 -0.331 3.629 3.960 0.001 0.000 0.218 891 G HA3 -0.331 3.629 3.960 0.001 0.000 0.218 891 G C 1.501 176.541 174.900 0.233 0.000 1.154 891 G CA 0.964 46.193 45.100 0.214 0.000 0.767 891 G HN 0.412 nan 8.290 nan 0.000 0.552 892 L N 1.622 122.963 121.223 0.197 0.000 1.990 892 L HA 0.019 4.360 4.340 0.001 0.000 0.213 892 L C 2.986 180.130 176.870 0.457 0.000 1.072 892 L CA 2.502 57.494 54.840 0.253 0.000 0.755 892 L CB -1.045 41.071 42.059 0.095 0.000 0.889 892 L HN 0.240 nan 8.230 nan 0.000 0.432 893 A N -0.311 122.743 122.820 0.389 0.000 1.883 893 A HA -0.087 4.233 4.320 0.001 0.000 0.217 893 A C 2.378 180.277 177.584 0.525 0.000 1.186 893 A CA 1.714 54.032 52.037 0.467 0.000 0.624 893 A CB -1.736 17.461 19.000 0.329 0.000 0.822 893 A HN 0.585 nan 8.150 nan 0.000 0.444 894 G N -1.984 107.144 108.800 0.545 0.000 2.462 894 G HA2 -0.266 3.695 3.960 0.001 0.000 0.220 894 G HA3 -0.266 3.695 3.960 0.001 0.000 0.220 894 G C 1.459 176.601 174.900 0.403 0.000 1.121 894 G CA 1.293 46.736 45.100 0.572 0.000 0.758 894 G HN 0.525 nan 8.290 nan 0.000 0.559 895 Y N 1.075 121.498 120.300 0.206 0.000 2.070 895 Y HA -0.033 4.518 4.550 0.001 0.000 0.279 895 Y C 2.319 178.200 175.900 -0.031 0.000 1.134 895 Y CA 1.120 59.219 58.100 -0.001 0.000 1.113 895 Y CB -0.712 37.626 38.460 -0.204 0.000 0.981 895 Y HN 0.194 nan 8.280 nan 0.000 0.487 896 F N -1.320 118.728 119.950 0.163 0.000 2.502 896 F HA -0.048 4.480 4.527 0.001 0.000 0.298 896 F C 1.932 177.788 175.800 0.094 0.000 1.111 896 F CA 0.440 58.472 58.000 0.053 0.000 1.445 896 F CB -0.364 38.741 39.000 0.174 0.000 1.081 896 F HN 0.078 nan 8.300 nan 0.000 0.558 897 L N -0.325 121.096 121.223 0.331 0.000 2.529 897 L HA 0.346 4.686 4.340 0.001 0.000 0.223 897 L C 1.454 178.415 176.870 0.152 0.000 1.113 897 L CA 0.536 55.525 54.840 0.248 0.000 0.861 897 L CB -0.659 41.588 42.059 0.314 0.000 1.012 897 L HN 0.162 nan 8.230 nan 0.000 0.461 898 G N 0.795 109.672 108.800 0.127 0.000 2.359 898 G HA2 -0.245 3.716 3.960 0.001 0.000 0.298 898 G HA3 -0.245 3.716 3.960 0.001 0.000 0.298 898 G C -0.186 174.736 174.900 0.037 0.000 1.030 898 G CA 0.612 45.752 45.100 0.067 0.000 1.149 898 G HN 0.500 nan 8.290 nan 0.000 0.512 899 Q N -0.875 118.937 119.800 0.021 0.000 2.472 899 Q HA 0.605 4.945 4.340 0.001 0.000 0.281 899 Q C -0.411 175.420 176.000 -0.282 0.000 0.997 899 Q CA -1.218 54.495 55.803 -0.150 0.000 0.828 899 Q CB 1.671 30.250 28.738 -0.265 0.000 1.443 899 Q HN 0.318 nan 8.270 nan 0.000 0.390 900 R N 0.580 120.906 120.500 -0.290 0.000 2.596 900 R HA 0.664 5.005 4.340 0.001 0.000 0.267 900 R C -0.883 175.152 176.300 -0.442 0.000 1.026 900 R CA -0.466 55.518 56.100 -0.193 0.000 1.087 900 R CB 0.863 31.163 30.300 -0.000 0.000 1.132 900 R HN 0.582 nan 8.270 nan 0.000 0.531 901 Y N -0.485 119.870 120.300 0.091 0.000 2.665 901 Y HA 0.549 5.100 4.550 0.001 0.000 0.336 901 Y C 0.002 175.920 175.900 0.029 0.000 1.085 901 Y CA -0.969 57.189 58.100 0.097 0.000 1.096 901 Y CB 1.670 40.344 38.460 0.358 0.000 1.301 901 Y HN 0.271 nan 8.280 nan 0.000 0.493 902 I N 1.306 122.013 120.570 0.229 0.000 2.560 902 I HA 0.163 4.333 4.170 0.001 0.000 0.278 902 I C -0.911 175.299 176.117 0.154 0.000 1.089 902 I CA -0.249 61.093 61.300 0.070 0.000 1.086 902 I CB 1.495 39.462 38.000 -0.054 0.000 1.202 902 I HN 0.452 nan 8.210 nan 0.000 0.471 903 S N 7.140 122.874 115.700 0.058 0.000 2.410 903 S HA 0.492 4.963 4.470 0.001 0.000 0.304 903 S C -2.310 172.200 174.600 -0.150 0.000 1.095 903 S CA -1.303 56.888 58.200 -0.016 0.000 1.089 903 S CB 0.780 63.790 63.200 -0.316 0.000 0.968 903 S HN 0.184 nan 8.310 nan 0.000 0.480 904 P HA 0.081 nan 4.420 nan 0.000 0.272 904 P C 0.903 178.096 177.300 -0.178 0.000 1.248 904 P CA -0.382 62.665 63.100 -0.088 0.000 0.799 904 P CB 0.403 32.103 31.700 -0.000 0.000 0.997 905 I N -0.491 119.961 120.570 -0.198 0.000 2.039 905 I HA -0.233 3.938 4.170 0.001 0.000 0.233 905 I C 1.853 177.684 176.117 -0.477 0.000 1.040 905 I CA 2.193 63.254 61.300 -0.398 0.000 1.308 905 I CB -1.068 36.719 38.000 -0.355 0.000 1.035 905 I HN 0.365 nan 8.210 nan 0.000 0.392 906 F N -1.051 118.850 119.950 -0.081 0.000 2.724 906 F HA 0.111 4.638 4.527 0.001 0.000 0.306 906 F C 1.835 177.637 175.800 0.004 0.000 1.100 906 F CA 0.187 58.163 58.000 -0.040 0.000 1.255 906 F CB 0.115 39.120 39.000 0.007 0.000 1.072 906 F HN 0.189 nan 8.300 nan 0.000 0.589 907 D N 0.074 120.580 120.400 0.177 0.000 2.398 907 D HA 0.092 4.732 4.640 0.001 0.000 0.210 907 D C 1.554 177.918 176.300 0.106 0.000 1.094 907 D CA 0.437 54.520 54.000 0.139 0.000 0.839 907 D CB 0.120 40.997 40.800 0.128 0.000 0.963 907 D HN 0.204 nan 8.370 nan 0.000 0.506 908 G N 1.359 110.194 108.800 0.058 0.000 2.065 908 G HA2 0.184 4.145 3.960 0.001 0.000 0.396 908 G HA3 0.184 4.145 3.960 0.001 0.000 0.396 908 G C 0.401 175.346 174.900 0.074 0.000 1.446 908 G CA 0.619 45.748 45.100 0.049 0.000 1.047 908 G HN 0.375 nan 8.290 nan 0.000 0.473 909 A N -1.413 121.379 122.820 -0.047 0.000 2.332 909 A HA 0.651 4.972 4.320 0.001 0.000 0.258 909 A C 0.204 177.770 177.584 -0.029 0.000 1.087 909 A CA 0.117 51.985 52.037 -0.282 0.000 0.802 909 A CB 0.911 19.479 19.000 -0.719 0.000 1.042 909 A HN 0.484 nan 8.150 nan 0.000 0.489 910 K N -0.528 119.821 120.400 -0.085 0.000 2.340 910 K HA 0.348 4.668 4.320 0.001 0.000 0.244 910 K C 0.904 177.468 176.600 -0.060 0.000 0.973 910 K CA -0.386 55.897 56.287 -0.007 0.000 0.828 910 K CB 1.474 33.986 32.500 0.019 0.000 1.226 910 K HN 0.763 nan 8.250 nan 0.000 0.437 911 E N 1.402 121.564 120.200 -0.063 0.000 2.097 911 E HA -0.167 4.183 4.350 0.001 0.000 0.196 911 E C -1.144 175.421 176.600 -0.058 0.000 1.000 911 E CA 1.694 58.040 56.400 -0.089 0.000 0.804 911 E CB -0.290 29.350 29.700 -0.100 0.000 0.740 911 E HN 0.376 nan 8.360 nan 0.000 0.454 912 P HA -0.151 nan 4.420 nan 0.000 0.215 912 P C 0.798 178.097 177.300 -0.003 0.000 1.157 912 P CA 1.273 64.366 63.100 -0.012 0.000 0.863 912 P CB -0.020 31.683 31.700 0.004 0.000 0.787 913 E N -0.674 119.522 120.200 -0.007 0.000 2.118 913 E HA -0.192 4.158 4.350 0.001 0.000 0.195 913 E C 1.946 178.537 176.600 -0.014 0.000 0.992 913 E CA 1.039 57.447 56.400 0.015 0.000 0.804 913 E CB -0.854 28.843 29.700 -0.005 0.000 0.741 913 E HN 0.225 nan 8.360 nan 0.000 0.458 914 I N 1.583 122.101 120.570 -0.087 0.000 2.439 914 I HA -0.175 3.995 4.170 0.001 0.000 0.251 914 I C 1.883 177.998 176.117 -0.004 0.000 1.139 914 I CA 1.202 62.455 61.300 -0.079 0.000 1.438 914 I CB -0.080 37.850 38.000 -0.116 0.000 1.085 914 I HN -0.158 nan 8.210 nan 0.000 0.427 915 K N 0.261 120.657 120.400 -0.006 0.000 2.147 915 K HA -0.224 4.097 4.320 0.001 0.000 0.205 915 K C 1.998 178.632 176.600 0.056 0.000 1.049 915 K CA 1.330 57.625 56.287 0.013 0.000 0.936 915 K CB -0.194 32.302 32.500 -0.006 0.000 0.722 915 K HN 0.413 nan 8.250 nan 0.000 0.446 916 E N 1.141 121.380 120.200 0.064 0.000 2.007 916 E HA -0.116 4.235 4.350 0.001 0.000 0.194 916 E C 2.078 178.758 176.600 0.133 0.000 0.999 916 E CA 1.128 57.585 56.400 0.094 0.000 0.811 916 E CB -0.197 29.566 29.700 0.106 0.000 0.762 916 E HN 0.141 nan 8.360 nan 0.000 0.450 917 L N 0.041 121.359 121.223 0.157 0.000 2.043 917 L HA -0.222 4.118 4.340 0.001 0.000 0.212 917 L C 2.543 179.551 176.870 0.231 0.000 1.075 917 L CA 0.723 55.690 54.840 0.212 0.000 0.752 917 L CB -0.564 41.627 42.059 0.220 0.000 0.891 917 L HN 0.217 nan 8.230 nan 0.000 0.432 918 L N 0.103 121.455 121.223 0.215 0.000 2.079 918 L HA -0.205 4.135 4.340 0.001 0.000 0.210 918 L C 2.800 179.852 176.870 0.303 0.000 1.081 918 L CA 1.915 56.951 54.840 0.328 0.000 0.752 918 L CB -0.844 41.367 42.059 0.253 0.000 0.896 918 L HN 0.206 nan 8.230 nan 0.000 0.433 919 A N -1.498 121.433 122.820 0.185 0.000 1.933 919 A HA -0.285 4.036 4.320 0.001 0.000 0.218 919 A C 2.299 179.964 177.584 0.135 0.000 1.175 919 A CA 1.817 53.932 52.037 0.129 0.000 0.628 919 A CB -0.544 18.510 19.000 0.091 0.000 0.814 919 A HN 0.534 nan 8.150 nan 0.000 0.444 920 Q N -0.945 118.947 119.800 0.154 0.000 2.230 920 Q HA -0.048 4.292 4.340 0.001 0.000 0.202 920 Q C 2.183 178.267 176.000 0.139 0.000 0.963 920 Q CA 1.024 56.913 55.803 0.143 0.000 0.866 920 Q CB -0.225 28.614 28.738 0.168 0.000 0.931 920 Q HN 0.659 nan 8.270 nan 0.000 0.452 921 A N 0.031 122.961 122.820 0.182 0.000 1.929 921 A HA -0.155 4.166 4.320 0.001 0.000 0.216 921 A C 1.699 179.188 177.584 -0.158 0.000 1.176 921 A CA 0.715 52.853 52.037 0.168 0.000 0.628 921 A CB -0.739 18.520 19.000 0.432 0.000 0.816 921 A HN 0.504 nan 8.150 nan 0.000 0.444 922 F N 0.913 120.547 119.950 -0.526 0.000 2.202 922 F HA -0.140 4.388 4.527 0.001 0.000 0.301 922 F C 2.054 177.689 175.800 -0.274 0.000 1.082 922 F CA 1.963 59.526 58.000 -0.727 0.000 1.313 922 F CB -0.169 38.503 39.000 -0.547 0.000 1.024 922 F HN 0.280 nan 8.300 nan 0.000 0.495 923 E N -0.585 119.552 120.200 -0.104 0.000 2.107 923 E HA -0.108 4.243 4.350 0.001 0.000 0.191 923 E C 2.299 178.834 176.600 -0.110 0.000 0.982 923 E CA 1.220 57.551 56.400 -0.114 0.000 0.809 923 E CB -0.322 29.365 29.700 -0.022 0.000 0.756 923 E HN 0.232 nan 8.360 nan 0.000 0.459 924 V N 0.327 120.218 119.914 -0.038 0.000 2.358 924 V HA -0.259 3.862 4.120 0.001 0.000 0.246 924 V C 2.005 178.127 176.094 0.046 0.000 1.047 924 V CA 1.958 64.287 62.300 0.049 0.000 1.035 924 V CB -0.671 31.262 31.823 0.183 0.000 0.658 924 V HN 0.349 nan 8.190 nan 0.000 0.452 925 Y N -0.633 119.480 120.300 -0.311 0.000 2.114 925 Y HA -0.195 4.356 4.550 0.001 0.000 0.284 925 Y C 2.373 178.110 175.900 -0.271 0.000 1.119 925 Y CA 1.880 59.714 58.100 -0.443 0.000 1.108 925 Y CB -0.138 37.707 38.460 -1.025 0.000 0.995 925 Y HN 0.199 nan 8.280 nan 0.000 0.491 926 F N 0.936 120.334 119.950 -0.919 0.000 2.569 926 F HA 0.211 4.739 4.527 0.001 0.000 0.295 926 F C 2.143 177.619 175.800 -0.539 0.000 1.115 926 F CA 0.689 58.115 58.000 -0.956 0.000 1.450 926 F CB -0.836 37.318 39.000 -1.410 0.000 1.107 926 F HN 0.164 nan 8.300 nan 0.000 0.563 927 G N 0.161 108.787 108.800 -0.290 0.000 2.433 927 G HA2 -0.315 3.645 3.960 0.001 0.000 0.216 927 G HA3 -0.315 3.645 3.960 0.001 0.000 0.216 927 G C 1.822 176.620 174.900 -0.169 0.000 1.186 927 G CA 0.813 45.771 45.100 -0.236 0.000 0.779 927 G HN 0.318 nan 8.290 nan 0.000 0.543 928 K N 0.034 120.375 120.400 -0.099 0.000 2.152 928 K HA -0.094 4.227 4.320 0.001 0.000 0.206 928 K C 2.653 179.224 176.600 -0.049 0.000 1.048 928 K CA 0.708 56.965 56.287 -0.050 0.000 0.933 928 K CB -0.081 32.423 32.500 0.007 0.000 0.721 928 K HN 0.037 nan 8.250 nan 0.000 0.447 929 R N 1.081 121.550 120.500 -0.052 0.000 2.096 929 R HA -0.106 4.235 4.340 0.001 0.000 0.235 929 R C 2.061 178.329 176.300 -0.052 0.000 1.127 929 R CA 1.470 57.579 56.100 0.014 0.000 0.968 929 R CB -0.223 30.147 30.300 0.116 0.000 0.861 929 R HN 0.345 nan 8.270 nan 0.000 0.440 930 K N -0.895 119.385 120.400 -0.200 0.000 2.026 930 K HA -0.060 4.261 4.320 0.001 0.000 0.208 930 K C 2.195 178.677 176.600 -0.197 0.000 1.048 930 K CA 1.471 57.600 56.287 -0.263 0.000 0.929 930 K CB -0.307 31.983 32.500 -0.349 0.000 0.713 930 K HN 0.232 nan 8.250 nan 0.000 0.439 931 G N 1.413 110.117 108.800 -0.160 0.000 2.408 931 G HA2 -0.202 3.758 3.960 0.001 0.000 0.215 931 G HA3 -0.202 3.758 3.960 0.001 0.000 0.215 931 G C 1.159 175.975 174.900 -0.140 0.000 1.156 931 G CA 0.194 45.212 45.100 -0.137 0.000 0.793 931 G HN 0.259 nan 8.290 nan 0.000 0.535 932 E N -0.127 120.012 120.200 -0.101 0.000 2.396 932 E HA 0.061 4.411 4.350 0.001 0.000 0.200 932 E C 1.866 178.318 176.600 -0.248 0.000 1.023 932 E CA 0.496 56.855 56.400 -0.069 0.000 0.857 932 E CB -0.071 29.659 29.700 0.049 0.000 0.775 932 E HN 0.505 nan 8.360 nan 0.000 0.525 933 G N -0.411 108.116 108.800 -0.454 0.000 2.260 933 G HA2 -0.161 3.800 3.960 0.001 0.000 0.179 933 G HA3 -0.161 3.800 3.960 0.001 0.000 0.179 933 G C -0.138 173.893 174.900 -1.448 0.000 1.002 933 G CA -0.422 44.070 45.100 -1.013 0.000 0.677 933 G HN 0.138 nan 8.290 nan 0.000 0.486 934 F N -0.221 119.732 119.950 0.006 0.000 2.613 934 F HA 0.733 5.261 4.527 0.001 0.000 0.310 934 F C 1.038 176.869 175.800 0.052 0.000 1.085 934 F CA -0.340 57.676 58.000 0.028 0.000 0.945 934 F CB 1.259 40.285 39.000 0.045 0.000 1.298 934 F HN 0.185 nan 8.300 nan 0.000 0.455 935 G N 0.318 109.261 108.800 0.238 0.000 3.329 935 G HA2 0.533 4.494 3.960 0.001 0.000 0.180 935 G HA3 0.533 4.494 3.960 0.001 0.000 0.180 935 G C -0.436 174.643 174.900 0.298 0.000 1.640 935 G CA -0.029 45.204 45.100 0.220 0.000 1.018 935 G HN 0.703 nan 8.290 nan 0.000 0.581 936 V N -1.286 118.774 119.914 0.244 0.000 2.713 936 V HA 0.614 4.734 4.120 0.001 0.000 0.307 936 V C -0.806 175.366 176.094 0.130 0.000 1.052 936 V CA -0.967 61.448 62.300 0.191 0.000 0.967 936 V CB 1.577 33.513 31.823 0.189 0.000 1.019 936 V HN 0.396 nan 8.190 nan 0.000 0.459 937 D N 1.278 121.741 120.400 0.106 0.000 2.348 937 D HA 0.403 5.044 4.640 0.001 0.000 0.249 937 D C 0.767 177.087 176.300 0.033 0.000 1.110 937 D CA -0.445 53.591 54.000 0.061 0.000 0.967 937 D CB 1.536 42.362 40.800 0.044 0.000 1.139 937 D HN 0.642 nan 8.370 nan 0.000 0.466 938 K N 0.352 120.750 120.400 -0.003 0.000 2.211 938 K HA -0.041 4.279 4.320 0.001 0.000 0.203 938 K C 1.850 178.436 176.600 -0.023 0.000 1.050 938 K CA 0.910 57.193 56.287 -0.008 0.000 0.945 938 K CB 0.165 32.653 32.500 -0.021 0.000 0.732 938 K HN 0.224 nan 8.250 nan 0.000 0.451 939 R N 0.897 121.356 120.500 -0.068 0.000 2.070 939 R HA -0.089 4.252 4.340 0.001 0.000 0.232 939 R C 1.939 178.242 176.300 0.005 0.000 1.138 939 R CA 1.492 57.530 56.100 -0.103 0.000 0.936 939 R CB -0.856 29.237 30.300 -0.345 0.000 0.839 939 R HN 0.382 nan 8.270 nan 0.000 0.429 940 E N 0.775 121.012 120.200 0.062 0.000 2.209 940 E HA -0.101 4.249 4.350 0.001 0.000 0.196 940 E C 1.956 178.601 176.600 0.075 0.000 0.993 940 E CA 1.159 57.625 56.400 0.109 0.000 0.819 940 E CB 0.071 29.840 29.700 0.115 0.000 0.745 940 E HN 0.080 nan 8.360 nan 0.000 0.477 941 V N 0.656 120.603 119.914 0.056 0.000 2.535 941 V HA -0.163 3.957 4.120 0.001 0.000 0.246 941 V C 2.224 178.340 176.094 0.037 0.000 1.045 941 V CA 1.590 63.920 62.300 0.050 0.000 1.058 941 V CB -0.207 31.643 31.823 0.045 0.000 0.689 941 V HN 0.164 nan 8.190 nan 0.000 0.461 942 E N 0.647 120.862 120.200 0.026 0.000 2.047 942 E HA -0.198 4.152 4.350 0.001 0.000 0.191 942 E C 2.161 178.777 176.600 0.025 0.000 0.987 942 E CA 1.627 58.038 56.400 0.018 0.000 0.799 942 E CB -0.408 29.295 29.700 0.005 0.000 0.752 942 E HN 0.268 nan 8.360 nan 0.000 0.449 943 V N 0.306 120.241 119.914 0.035 0.000 2.568 943 V HA -0.210 3.911 4.120 0.001 0.000 0.253 943 V C 2.082 178.199 176.094 0.038 0.000 1.072 943 V CA 1.650 63.974 62.300 0.041 0.000 1.084 943 V CB -0.290 31.570 31.823 0.063 0.000 0.676 943 V HN 0.367 nan 8.190 nan 0.000 0.469 944 L N -0.087 121.162 121.223 0.042 0.000 2.056 944 L HA -0.144 4.197 4.340 0.001 0.000 0.207 944 L C 2.771 179.658 176.870 0.028 0.000 1.078 944 L CA 2.204 57.067 54.840 0.039 0.000 0.749 944 L CB -0.649 41.440 42.059 0.048 0.000 0.901 944 L HN 0.350 nan 8.230 nan 0.000 0.433 945 R N 0.611 121.127 120.500 0.026 0.000 2.082 945 R HA -0.201 4.139 4.340 0.001 0.000 0.234 945 R C 2.389 178.698 176.300 0.016 0.000 1.136 945 R CA 1.783 57.895 56.100 0.020 0.000 0.935 945 R CB -0.231 30.079 30.300 0.017 0.000 0.842 945 R HN 0.246 nan 8.270 nan 0.000 0.430 946 R N -0.115 120.395 120.500 0.016 0.000 2.200 946 R HA -0.097 4.243 4.340 0.001 0.000 0.234 946 R C 2.231 178.538 176.300 0.012 0.000 1.127 946 R CA 1.209 57.317 56.100 0.014 0.000 0.989 946 R CB -0.236 30.073 30.300 0.015 0.000 0.869 946 R HN 0.359 nan 8.270 nan 0.000 0.459 947 A N 1.711 124.539 122.820 0.014 0.000 1.898 947 A HA -0.159 4.162 4.320 0.001 0.000 0.214 947 A C 2.023 179.610 177.584 0.006 0.000 1.183 947 A CA 1.201 53.244 52.037 0.010 0.000 0.622 947 A CB -0.215 18.794 19.000 0.014 0.000 0.824 947 A HN 0.497 nan 8.150 nan 0.000 0.444 948 E N 0.112 120.318 120.200 0.009 0.000 2.216 948 E HA -0.102 4.248 4.350 0.001 0.000 0.192 948 E C 1.578 178.181 176.600 0.004 0.000 0.988 948 E CA 0.926 57.330 56.400 0.006 0.000 0.834 948 E CB -0.275 29.431 29.700 0.009 0.000 0.772 948 E HN 0.518 nan 8.360 nan 0.000 0.479 949 K N 0.308 120.712 120.400 0.006 0.000 2.283 949 K HA -0.041 4.279 4.320 0.001 0.000 0.202 949 K C 1.982 178.583 176.600 0.002 0.000 1.048 949 K CA 0.479 56.769 56.287 0.004 0.000 0.948 949 K CB 0.028 32.531 32.500 0.006 0.000 0.742 949 K HN 0.182 nan 8.250 nan 0.000 0.458 950 L N -0.272 120.952 121.223 0.002 0.000 2.071 950 L HA 0.007 4.347 4.340 0.001 0.000 0.201 950 L C 1.130 177.997 176.870 -0.004 0.000 1.076 950 L CA 2.275 57.114 54.840 -0.001 0.000 0.755 950 L CB -0.551 41.507 42.059 -0.001 0.000 0.915 950 L HN 0.459 nan 8.230 nan 0.000 0.445 951 G N -1.323 107.473 108.800 -0.006 0.000 2.157 951 G HA2 -0.152 3.808 3.960 0.001 0.000 0.114 951 G HA3 -0.152 3.808 3.960 0.001 0.000 0.114 951 G C 0.298 175.189 174.900 -0.014 0.000 1.041 951 G CA 0.170 45.264 45.100 -0.009 0.000 0.714 951 G HN 0.241 nan 8.290 nan 0.000 0.492 952 L N 0.191 121.405 121.223 -0.014 0.000 2.515 952 L HA 0.443 4.783 4.340 0.001 0.000 0.223 952 L C 1.041 177.897 176.870 -0.023 0.000 1.079 952 L CA 0.781 55.607 54.840 -0.023 0.000 0.857 952 L CB 0.962 43.007 42.059 -0.023 0.000 1.050 952 L HN 0.442 nan 8.230 nan 0.000 0.476 953 V N -2.982 116.924 119.914 -0.014 0.000 2.686 953 V HA 0.481 4.601 4.120 0.001 0.000 0.306 953 V C 0.053 176.143 176.094 -0.006 0.000 1.065 953 V CA -1.050 61.244 62.300 -0.011 0.000 0.894 953 V CB 0.825 32.646 31.823 -0.003 0.000 1.004 953 V HN 0.215 nan 8.190 nan 0.000 0.424 954 T N 2.151 116.701 114.554 -0.007 0.000 2.829 954 T HA 0.316 4.667 4.350 0.001 0.000 0.293 954 T C -2.221 172.480 174.700 0.003 0.000 0.970 954 T CA -0.733 61.365 62.100 -0.003 0.000 1.168 954 T CB 0.259 69.124 68.868 -0.005 0.000 0.911 954 T HN 0.636 nan 8.240 nan 0.000 0.535 955 P HA 0.400 nan 4.420 nan 0.000 0.271 955 P C 1.127 178.433 177.300 0.009 0.000 1.216 955 P CA 0.489 63.594 63.100 0.008 0.000 0.771 955 P CB 0.562 32.266 31.700 0.006 0.000 0.864 956 G N 1.353 110.161 108.800 0.013 0.000 2.231 956 G HA2 -0.159 3.802 3.960 0.001 0.000 0.206 956 G HA3 -0.159 3.802 3.960 0.001 0.000 0.206 956 G C 0.098 175.008 174.900 0.017 0.000 0.996 956 G CA -0.410 44.698 45.100 0.014 0.000 0.645 956 G HN 0.504 nan 8.290 nan 0.000 0.498 957 K N 0.976 121.388 120.400 0.019 0.000 2.098 957 K HA 0.540 4.860 4.320 0.001 0.000 0.258 957 K C 0.281 176.903 176.600 0.037 0.000 0.973 957 K CA -0.142 56.159 56.287 0.024 0.000 0.898 957 K CB 1.511 34.023 32.500 0.020 0.000 1.057 957 K HN 0.131 nan 8.250 nan 0.000 0.447 958 T N 1.705 116.285 114.554 0.044 0.000 2.932 958 T HA 0.062 4.412 4.350 0.001 0.000 0.312 958 T C -1.698 173.055 174.700 0.090 0.000 1.071 958 T CA -1.241 60.895 62.100 0.060 0.000 1.128 958 T CB 0.474 69.377 68.868 0.058 0.000 0.984 958 T HN 0.200 nan 8.240 nan 0.000 0.549 959 P HA -0.110 nan 4.420 nan 0.000 0.216 959 P C 1.257 178.700 177.300 0.239 0.000 1.154 959 P CA 1.313 64.501 63.100 0.147 0.000 0.865 959 P CB 0.150 31.936 31.700 0.144 0.000 0.789 960 E N -0.958 119.406 120.200 0.273 0.000 2.077 960 E HA -0.203 4.147 4.350 0.001 0.000 0.193 960 E C 1.887 178.705 176.600 0.363 0.000 0.989 960 E CA 0.945 57.597 56.400 0.421 0.000 0.800 960 E CB -0.173 29.637 29.700 0.185 0.000 0.746 960 E HN 0.220 nan 8.360 nan 0.000 0.452 961 E N 0.212 120.522 120.200 0.183 0.000 2.216 961 E HA -0.114 4.237 4.350 0.001 0.000 0.192 961 E C 1.939 178.562 176.600 0.039 0.000 0.988 961 E CA 0.635 57.094 56.400 0.099 0.000 0.834 961 E CB -0.015 29.720 29.700 0.057 0.000 0.772 961 E HN 0.364 nan 8.360 nan 0.000 0.479 962 Q N -0.011 119.828 119.800 0.065 0.000 2.049 962 Q HA -0.049 4.292 4.340 0.001 0.000 0.198 962 Q C 2.136 178.136 176.000 -0.000 0.000 0.971 962 Q CA 0.501 56.321 55.803 0.027 0.000 0.833 962 Q CB 0.002 28.769 28.738 0.049 0.000 0.896 962 Q HN 0.180 nan 8.270 nan 0.000 0.434 963 L N 1.375 122.643 121.223 0.076 0.000 2.079 963 L HA -0.228 4.113 4.340 0.001 0.000 0.210 963 L C 2.279 178.959 176.870 -0.316 0.000 1.081 963 L CA 1.779 56.670 54.840 0.084 0.000 0.752 963 L CB -0.712 41.559 42.059 0.353 0.000 0.896 963 L HN 0.231 nan 8.230 nan 0.000 0.433 964 K N -0.058 119.912 120.400 -0.715 0.000 2.002 964 K HA -0.222 4.098 4.320 0.001 0.000 0.209 964 K C 1.937 178.227 176.600 -0.517 0.000 1.048 964 K CA 1.633 57.121 56.287 -1.331 0.000 0.930 964 K CB -0.030 32.026 32.500 -0.741 0.000 0.714 964 K HN 0.255 nan 8.250 nan 0.000 0.438 965 E N 0.151 120.196 120.200 -0.257 0.000 2.097 965 E HA -0.226 4.124 4.350 0.001 0.000 0.196 965 E C 1.973 178.505 176.600 -0.112 0.000 1.000 965 E CA 1.230 57.548 56.400 -0.136 0.000 0.804 965 E CB -0.007 29.644 29.700 -0.080 0.000 0.740 965 E HN 0.141 nan 8.360 nan 0.000 0.454 966 L N -0.339 120.824 121.223 -0.100 0.000 2.093 966 L HA -0.110 4.230 4.340 0.001 0.000 0.208 966 L C 1.968 178.796 176.870 -0.069 0.000 1.085 966 L CA 1.385 56.185 54.840 -0.066 0.000 0.755 966 L CB -0.495 41.550 42.059 -0.023 0.000 0.904 966 L HN 0.148 nan 8.230 nan 0.000 0.435 967 F N -0.576 119.231 119.950 -0.239 0.000 2.146 967 F HA -0.211 4.316 4.527 0.001 0.000 0.298 967 F C 2.109 177.798 175.800 -0.184 0.000 1.096 967 F CA 1.319 59.205 58.000 -0.189 0.000 1.275 967 F CB -0.051 38.804 39.000 -0.240 0.000 1.008 967 F HN -0.022 nan 8.300 nan 0.000 0.480 968 L N -0.031 121.222 121.223 0.050 0.000 2.265 968 L HA -0.218 4.122 4.340 0.001 0.000 0.215 968 L C 2.137 178.926 176.870 -0.134 0.000 1.117 968 L CA 0.938 55.773 54.840 -0.008 0.000 0.782 968 L CB -0.752 41.288 42.059 -0.033 0.000 0.914 968 L HN 0.222 nan 8.230 nan 0.000 0.441 969 Q N 0.024 119.721 119.800 -0.172 0.000 2.488 969 Q HA -0.014 4.327 4.340 0.001 0.000 0.211 969 Q C 1.682 177.437 176.000 -0.407 0.000 0.967 969 Q CA 0.846 56.517 55.803 -0.220 0.000 0.926 969 Q CB 0.233 28.877 28.738 -0.157 0.000 0.992 969 Q HN 0.665 nan 8.270 nan 0.000 0.506 970 G N 1.983 110.480 108.800 -0.506 0.000 2.195 970 G HA2 -0.275 3.686 3.960 0.001 0.000 0.246 970 G HA3 -0.275 3.686 3.960 0.001 0.000 0.246 970 G C 0.040 174.630 174.900 -0.517 0.000 0.984 970 G CA 0.455 45.099 45.100 -0.760 0.000 0.633 970 G HN 0.400 nan 8.290 nan 0.000 0.525 971 K N -0.246 119.928 120.400 -0.377 0.000 2.316 971 K HA 0.840 5.160 4.320 0.001 0.000 0.251 971 K C 0.023 176.489 176.600 -0.223 0.000 0.934 971 K CA -0.533 55.605 56.287 -0.249 0.000 0.802 971 K CB 3.276 35.691 32.500 -0.141 0.000 1.171 971 K HN 0.838 nan 8.250 nan 0.000 0.426 972 V N -1.282 118.530 119.914 -0.170 0.000 3.181 972 V HA 0.569 4.689 4.120 0.001 0.000 0.314 972 V C -0.353 175.736 176.094 -0.008 0.000 1.173 972 V CA -1.103 61.160 62.300 -0.061 0.000 1.052 972 V CB 1.669 33.439 31.823 -0.088 0.000 1.123 972 V HN 0.558 nan 8.190 nan 0.000 0.454 973 V N 1.808 121.751 119.914 0.049 0.000 2.546 973 V HA 0.506 4.626 4.120 0.001 0.000 0.284 973 V C -0.259 175.823 176.094 -0.021 0.000 1.050 973 V CA -0.071 62.264 62.300 0.058 0.000 0.981 973 V CB 0.783 32.686 31.823 0.133 0.000 0.990 973 V HN 0.670 nan 8.190 nan 0.000 0.474 974 L N 4.715 125.947 121.223 0.016 0.000 2.386 974 L HA 0.569 4.910 4.340 0.001 0.000 0.271 974 L C -0.858 176.086 176.870 0.122 0.000 0.993 974 L CA -0.427 54.375 54.840 -0.064 0.000 0.819 974 L CB 1.802 43.851 42.059 -0.016 0.000 1.294 974 L HN 0.428 nan 8.230 nan 0.000 0.414 975 Y N 0.401 120.579 120.300 -0.204 0.000 2.352 975 Y HA 0.234 4.785 4.550 0.001 0.000 0.326 975 Y C 1.320 177.215 175.900 -0.009 0.000 1.166 975 Y CA -1.234 56.750 58.100 -0.193 0.000 1.182 975 Y CB 0.546 38.740 38.460 -0.443 0.000 1.216 975 Y HN 0.661 nan 8.280 nan 0.000 0.474 976 D N 1.361 121.926 120.400 0.275 0.000 2.123 976 D HA -0.133 4.507 4.640 0.001 0.000 0.196 976 D C 1.725 178.240 176.300 0.359 0.000 0.992 976 D CA 2.239 56.394 54.000 0.258 0.000 0.833 976 D CB 0.188 41.082 40.800 0.157 0.000 0.954 976 D HN 1.007 nan 8.370 nan 0.000 0.455 977 G N 0.558 109.645 108.800 0.477 0.000 2.383 977 G HA2 -0.383 3.578 3.960 0.001 0.000 0.229 977 G HA3 -0.383 3.578 3.960 0.001 0.000 0.229 977 G C 1.357 176.322 174.900 0.108 0.000 1.089 977 G CA 0.605 45.854 45.100 0.248 0.000 0.640 977 G HN 0.468 nan 8.290 nan 0.000 0.510 978 R N -0.572 120.004 120.500 0.128 0.000 2.112 978 R HA 0.310 4.650 4.340 0.001 0.000 0.216 978 R C 2.344 178.678 176.300 0.058 0.000 1.080 978 R CA 1.703 57.844 56.100 0.069 0.000 0.996 978 R CB -0.498 29.830 30.300 0.047 0.000 0.902 978 R HN 0.382 nan 8.270 nan 0.000 0.449 979 T N -1.511 113.090 114.554 0.078 0.000 3.000 979 T HA 0.251 4.602 4.350 0.001 0.000 0.248 979 T C 1.268 176.010 174.700 0.070 0.000 1.034 979 T CA 0.836 62.970 62.100 0.055 0.000 1.060 979 T CB 0.217 69.107 68.868 0.036 0.000 0.983 979 T HN 0.552 nan 8.240 nan 0.000 0.482 980 G N 1.155 110.040 108.800 0.141 0.000 2.217 980 G HA2 -0.201 3.760 3.960 0.001 0.000 0.246 980 G HA3 -0.201 3.760 3.960 0.001 0.000 0.246 980 G C 0.006 174.917 174.900 0.019 0.000 0.990 980 G CA 0.388 45.582 45.100 0.156 0.000 0.627 980 G HN 0.597 nan 8.290 nan 0.000 0.522 981 E N 1.875 122.084 120.200 0.015 0.000 2.374 981 E HA 0.492 4.843 4.350 0.001 0.000 0.260 981 E C -1.645 174.945 176.600 -0.018 0.000 1.101 981 E CA -1.213 55.161 56.400 -0.043 0.000 0.907 981 E CB 1.256 30.948 29.700 -0.012 0.000 1.014 981 E HN 0.280 nan 8.360 nan 0.000 0.427 982 P HA 0.143 nan 4.420 nan 0.000 0.278 982 P C -0.580 176.770 177.300 0.083 0.000 1.266 982 P CA -0.077 63.063 63.100 0.067 0.000 0.807 982 P CB 0.667 32.392 31.700 0.041 0.000 1.094 983 I N 1.469 122.107 120.570 0.114 0.000 2.281 983 I HA 0.061 4.232 4.170 0.001 0.000 0.293 983 I C 1.310 177.465 176.117 0.063 0.000 1.085 983 I CA -0.547 60.802 61.300 0.083 0.000 1.257 983 I CB -0.043 38.012 38.000 0.092 0.000 1.430 983 I HN 0.425 nan 8.210 nan 0.000 0.489 984 E N 6.751 126.978 120.200 0.045 0.000 3.102 984 E HA 0.114 4.464 4.350 0.001 0.000 0.235 984 E C 0.239 176.859 176.600 0.032 0.000 0.995 984 E CA 0.142 56.562 56.400 0.034 0.000 0.950 984 E CB -0.192 29.522 29.700 0.024 0.000 0.905 984 E HN 0.859 nan 8.360 nan 0.000 0.553 985 G N 3.187 112.006 108.800 0.032 0.000 3.069 985 G HA2 -0.092 3.868 3.960 0.001 0.000 0.686 985 G HA3 -0.092 3.868 3.960 0.001 0.000 0.686 985 G C -2.924 171.990 174.900 0.024 0.000 1.161 985 G CA -0.887 44.227 45.100 0.024 0.000 0.804 985 G HN 0.450 nan 8.290 nan 0.000 0.608 986 P HA 0.430 nan 4.420 nan 0.000 0.268 986 P C 0.141 177.434 177.300 -0.012 0.000 1.204 986 P CA -0.026 63.074 63.100 -0.001 0.000 0.768 986 P CB 0.578 32.268 31.700 -0.017 0.000 0.842 987 I N 3.091 123.651 120.570 -0.017 0.000 2.406 987 I HA 0.220 4.391 4.170 0.001 0.000 0.290 987 I C 0.481 176.567 176.117 -0.052 0.000 0.999 987 I CA -1.302 59.987 61.300 -0.019 0.000 1.124 987 I CB 1.903 39.907 38.000 0.007 0.000 1.289 987 I HN 0.150 nan 8.210 nan 0.000 0.441 988 V N 6.378 126.262 119.914 -0.050 0.000 2.924 988 V HA 0.636 4.756 4.120 0.001 0.000 0.305 988 V C -0.117 175.946 176.094 -0.051 0.000 1.073 988 V CA -0.082 62.176 62.300 -0.070 0.000 1.098 988 V CB 1.414 33.241 31.823 0.007 0.000 1.000 988 V HN 0.586 nan 8.190 nan 0.000 0.484 989 V N 0.511 120.382 119.914 -0.071 0.000 3.178 989 V HA 1.108 5.228 4.120 0.001 0.000 0.302 989 V C 0.015 176.083 176.094 -0.044 0.000 1.262 989 V CA 0.105 62.369 62.300 -0.060 0.000 1.030 989 V CB 0.986 32.764 31.823 -0.075 0.000 1.074 989 V HN 2.034 nan 8.190 nan 0.000 0.438 990 G N 0.906 109.674 108.800 -0.053 0.000 2.313 990 G HA2 0.420 4.381 3.960 0.001 0.000 0.296 990 G HA3 0.420 4.381 3.960 0.001 0.000 0.296 990 G C -1.843 173.024 174.900 -0.054 0.000 1.356 990 G CA -0.882 44.199 45.100 -0.031 0.000 0.833 990 G HN 0.847 nan 8.290 nan 0.000 0.552 991 Q N 0.273 120.069 119.800 -0.007 0.000 2.344 991 Q HA 0.448 4.789 4.340 0.001 0.000 0.253 991 Q C 0.023 176.080 176.000 0.094 0.000 1.050 991 Q CA 0.137 55.953 55.803 0.022 0.000 0.912 991 Q CB 1.169 29.956 28.738 0.081 0.000 1.258 991 Q HN 0.516 nan 8.270 nan 0.000 0.443 992 M N 3.734 123.382 119.600 0.079 0.000 2.227 992 M HA 0.363 4.843 4.480 0.001 0.000 0.335 992 M C -1.309 175.087 176.300 0.160 0.000 1.053 992 M CA -0.834 54.541 55.300 0.125 0.000 0.973 992 M CB 0.847 33.490 32.600 0.072 0.000 1.623 992 M HN 0.569 nan 8.290 nan 0.000 0.434 993 F N 6.973 126.957 119.950 0.057 0.000 2.502 993 F HA 0.505 5.032 4.527 0.001 0.000 0.371 993 F C -1.422 174.407 175.800 0.049 0.000 1.083 993 F CA 0.030 58.059 58.000 0.049 0.000 1.174 993 F CB 0.247 39.264 39.000 0.028 0.000 1.096 993 F HN 0.482 nan 8.300 nan 0.000 0.545 994 I N 7.829 128.099 120.570 -0.500 0.000 2.533 994 I HA 0.318 4.488 4.170 0.001 0.000 0.290 994 I C -0.591 175.280 176.117 -0.411 0.000 1.056 994 I CA -0.690 60.371 61.300 -0.399 0.000 1.057 994 I CB 2.025 39.908 38.000 -0.195 0.000 1.240 994 I HN 0.581 nan 8.210 nan 0.000 0.423 995 M N 5.147 124.534 119.600 -0.356 0.000 2.598 995 M HA 0.445 4.926 4.480 0.001 0.000 0.317 995 M C -0.377 175.914 176.300 -0.016 0.000 1.201 995 M CA -0.746 54.455 55.300 -0.166 0.000 0.971 995 M CB 2.024 34.520 32.600 -0.173 0.000 1.657 995 M HN 0.371 nan 8.290 nan 0.000 0.470 996 K N 2.281 122.731 120.400 0.083 0.000 2.183 996 K HA 0.552 4.872 4.320 0.001 0.000 0.274 996 K C -1.414 175.220 176.600 0.056 0.000 1.009 996 K CA -0.422 55.910 56.287 0.074 0.000 0.888 996 K CB 0.853 33.447 32.500 0.157 0.000 1.078 996 K HN 0.686 nan 8.250 nan 0.000 0.459 997 L N 3.935 125.191 121.223 0.056 0.000 2.379 997 L HA 0.228 4.569 4.340 0.001 0.000 0.269 997 L C 0.091 177.065 176.870 0.173 0.000 1.084 997 L CA -1.138 53.765 54.840 0.104 0.000 0.802 997 L CB 0.414 42.526 42.059 0.087 0.000 1.175 997 L HN 0.633 nan 8.230 nan 0.000 0.448 998 Y N 1.785 122.117 120.300 0.054 0.000 2.721 998 Y HA -0.054 4.497 4.550 0.001 0.000 0.329 998 Y C 0.121 176.102 175.900 0.136 0.000 1.211 998 Y CA -0.390 57.754 58.100 0.072 0.000 1.512 998 Y CB -0.182 38.321 38.460 0.072 0.000 1.249 998 Y HN 0.311 nan 8.280 nan 0.000 0.549 999 H N 6.968 126.022 119.070 -0.027 0.000 3.004 999 H HA 0.208 4.764 4.556 0.001 0.000 0.267 999 H C -0.011 174.986 175.328 -0.553 0.000 1.165 999 H CA -0.144 55.762 56.048 -0.237 0.000 1.450 999 H CB 0.030 29.713 29.762 -0.131 0.000 1.488 999 H HN 0.783 nan 8.280 nan 0.000 0.478 1000 M N 2.254 121.519 119.600 -0.559 0.000 2.159 1000 M HA 0.085 4.565 4.480 0.001 0.000 0.293 1000 M C 0.792 176.933 176.300 -0.266 0.000 1.186 1000 M CA -0.135 54.847 55.300 -0.531 0.000 1.073 1000 M CB 0.852 33.197 32.600 -0.424 0.000 1.419 1000 M HN 0.326 nan 8.290 nan 0.000 0.490 1001 V N 1.557 121.386 119.914 -0.143 0.000 3.444 1001 V HA -0.139 3.981 4.120 0.001 0.000 0.271 1001 V C 1.518 177.544 176.094 -0.113 0.000 1.188 1001 V CA 1.592 63.874 62.300 -0.030 0.000 1.168 1001 V CB -2.147 29.722 31.823 0.076 0.000 0.810 1001 V HN 0.951 nan 8.190 nan 0.000 0.500 1002 E N 0.381 120.452 120.200 -0.215 0.000 2.230 1002 E HA -0.166 4.184 4.350 0.001 0.000 0.192 1002 E C 1.871 178.304 176.600 -0.279 0.000 0.987 1002 E CA 1.183 57.417 56.400 -0.277 0.000 0.841 1002 E CB -0.314 29.245 29.700 -0.234 0.000 0.783 1002 E HN 0.610 nan 8.360 nan 0.000 0.481 1003 D N 1.128 121.342 120.400 -0.310 0.000 2.120 1003 D HA -0.111 4.530 4.640 0.001 0.000 0.202 1003 D C 0.314 176.432 176.300 -0.305 0.000 0.972 1003 D CA 0.608 54.376 54.000 -0.387 0.000 0.837 1003 D CB 0.099 40.423 40.800 -0.792 0.000 0.989 1003 D HN -0.107 nan 8.370 nan 0.000 0.469 1004 K N 3.265 123.524 120.400 -0.235 0.000 2.062 1004 K HA 0.017 4.337 4.320 0.001 0.000 0.251 1004 K C 0.458 177.029 176.600 -0.049 0.000 1.113 1004 K CA -0.036 56.206 56.287 -0.074 0.000 1.096 1004 K CB -0.791 31.735 32.500 0.042 0.000 1.099 1004 K HN 0.462 nan 8.250 nan 0.000 0.350 1005 M N 0.799 120.323 119.600 -0.127 0.000 2.126 1005 M HA -0.174 4.307 4.480 0.001 0.000 0.416 1005 M C -0.699 175.257 176.300 -0.574 0.000 1.114 1005 M CA 1.228 56.399 55.300 -0.215 0.000 0.721 1005 M CB -0.384 32.145 32.600 -0.117 0.000 1.814 1005 M HN 0.267 nan 8.290 nan 0.000 0.526 1006 H N 2.521 121.060 119.070 -0.885 0.000 2.685 1006 H HA 0.726 5.283 4.556 0.001 0.000 0.307 1006 H C -0.709 174.272 175.328 -0.578 0.000 1.017 1006 H CA -0.213 54.971 56.048 -1.441 0.000 1.237 1006 H CB 1.333 30.618 29.762 -0.795 0.000 1.409 1006 H HN 0.811 nan 8.280 nan 0.000 0.488 1007 A N 4.158 126.874 122.820 -0.173 0.000 2.318 1007 A HA 0.732 5.053 4.320 0.001 0.000 0.317 1007 A C -0.401 177.341 177.584 0.263 0.000 1.159 1007 A CA -0.748 51.357 52.037 0.113 0.000 0.799 1007 A CB 0.942 20.012 19.000 0.118 0.000 1.194 1007 A HN 0.516 nan 8.150 nan 0.000 0.479 1008 R N 1.788 122.379 120.500 0.151 0.000 2.532 1008 R HA 0.425 4.766 4.340 0.001 0.000 0.297 1008 R C 0.644 176.987 176.300 0.072 0.000 0.984 1008 R CA 0.166 56.340 56.100 0.123 0.000 0.884 1008 R CB 2.197 32.562 30.300 0.108 0.000 1.182 1008 R HN 0.892 nan 8.270 nan 0.000 0.442 1009 S N 1.945 117.682 115.700 0.061 0.000 2.294 1009 S HA 0.159 4.629 4.470 0.001 0.000 0.203 1009 S C 0.314 174.957 174.600 0.072 0.000 1.022 1009 S CA 0.954 59.196 58.200 0.070 0.000 0.955 1009 S CB 0.214 63.464 63.200 0.082 0.000 0.943 1009 S HN 0.601 nan 8.310 nan 0.000 0.472 1010 T N -0.007 114.580 114.554 0.055 0.000 2.906 1010 T HA 0.762 5.112 4.350 0.001 0.000 0.295 1010 T C -0.140 174.513 174.700 -0.077 0.000 1.075 1010 T CA -0.193 61.913 62.100 0.010 0.000 1.005 1010 T CB 1.527 70.423 68.868 0.047 0.000 1.136 1010 T HN 0.827 nan 8.240 nan 0.000 0.498 1011 G N 0.834 109.529 108.800 -0.175 0.000 2.435 1011 G HA2 0.598 4.558 3.960 0.001 0.000 0.296 1011 G HA3 0.598 4.558 3.960 0.001 0.000 0.296 1011 G C -3.164 171.559 174.900 -0.294 0.000 1.240 1011 G CA -0.759 44.223 45.100 -0.196 0.000 0.872 1011 G HN 0.619 nan 8.290 nan 0.000 0.480 1012 P HA 0.532 nan 4.420 nan 0.000 0.274 1012 P C -1.417 175.660 177.300 -0.371 0.000 1.264 1012 P CA -0.023 62.974 63.100 -0.173 0.000 0.795 1012 P CB 0.288 31.937 31.700 -0.085 0.000 1.064 1013 Y N -2.498 117.802 120.300 -0.001 0.000 2.544 1013 Y HA 0.337 4.887 4.550 0.001 0.000 0.342 1013 Y C 0.483 176.388 175.900 0.008 0.000 1.062 1013 Y CA -0.760 57.343 58.100 0.006 0.000 1.023 1013 Y CB 1.635 40.097 38.460 0.003 0.000 1.308 1013 Y HN 0.200 nan 8.280 nan 0.000 0.457 1014 S N 1.770 117.590 115.700 0.199 0.000 2.568 1014 S HA 0.064 4.534 4.470 0.001 0.000 0.282 1014 S C 1.044 175.703 174.600 0.099 0.000 1.338 1014 S CA -0.379 57.890 58.200 0.115 0.000 1.045 1014 S CB 0.403 63.660 63.200 0.096 0.000 0.873 1014 S HN 0.709 nan 8.310 nan 0.000 0.516 1015 L N 6.407 127.669 121.223 0.064 0.000 2.027 1015 L HA 0.062 4.402 4.340 0.001 0.000 0.206 1015 L C 1.751 178.641 176.870 0.033 0.000 1.074 1015 L CA 2.014 56.880 54.840 0.044 0.000 0.745 1015 L CB -0.776 41.302 42.059 0.032 0.000 0.898 1015 L HN 0.880 nan 8.230 nan 0.000 0.433 1016 I N -2.714 117.877 120.570 0.035 0.000 2.499 1016 I HA 0.128 4.298 4.170 0.001 0.000 0.243 1016 I C 1.346 177.484 176.117 0.036 0.000 1.085 1016 I CA 0.633 61.950 61.300 0.028 0.000 1.422 1016 I CB -1.110 36.905 38.000 0.026 0.000 1.165 1016 I HN 0.302 nan 8.210 nan 0.000 0.440 1017 T N 1.104 115.687 114.554 0.047 0.000 2.910 1017 T HA 0.161 4.511 4.350 0.001 0.000 0.293 1017 T C 0.434 175.174 174.700 0.067 0.000 1.015 1017 T CA -0.395 61.738 62.100 0.056 0.000 1.094 1017 T CB 1.068 69.973 68.868 0.061 0.000 0.968 1017 T HN 0.275 nan 8.240 nan 0.000 0.521 1018 Q N 2.804 122.637 119.800 0.055 0.000 2.296 1018 Q HA 0.183 4.523 4.340 0.001 0.000 0.273 1018 Q C 0.106 176.190 176.000 0.140 0.000 0.900 1018 Q CA 0.067 55.894 55.803 0.040 0.000 0.993 1018 Q CB 0.280 28.974 28.738 -0.073 0.000 1.132 1018 Q HN 0.732 nan 8.270 nan 0.000 0.439 1019 Q N 0.944 120.857 119.800 0.189 0.000 2.259 1019 Q HA 0.326 4.667 4.340 0.001 0.000 0.246 1019 Q C -2.303 173.873 176.000 0.292 0.000 0.920 1019 Q CA -2.010 53.936 55.803 0.238 0.000 0.895 1019 Q CB 0.606 29.424 28.738 0.133 0.000 1.220 1019 Q HN 0.025 nan 8.270 nan 0.000 0.439 1020 P HA 0.014 nan 4.420 nan 0.000 0.265 1020 P C -1.033 176.237 177.300 -0.051 0.000 1.193 1020 P CA 0.551 63.578 63.100 -0.122 0.000 0.765 1020 P CB 0.403 32.015 31.700 -0.147 0.000 0.823 1021 L N 2.107 123.271 121.223 -0.098 0.000 2.505 1021 L HA 0.666 5.007 4.340 0.001 0.000 0.259 1021 L C 0.467 177.310 176.870 -0.044 0.000 0.952 1021 L CA -0.357 54.466 54.840 -0.029 0.000 0.840 1021 L CB 2.107 44.172 42.059 0.009 0.000 1.358 1021 L HN 0.521 nan 8.230 nan 0.000 0.409 1022 G N 0.632 109.433 108.800 0.001 0.000 3.410 1022 G HA2 0.765 4.725 3.960 0.001 0.000 0.189 1022 G HA3 0.765 4.725 3.960 0.001 0.000 0.189 1022 G C 0.283 175.192 174.900 0.016 0.000 1.404 1022 G CA 0.179 45.279 45.100 0.000 0.000 0.898 1022 G HN 1.123 nan 8.290 nan 0.000 0.650 1023 G N -0.522 108.303 108.800 0.042 0.000 1.742 1023 G HA2 -0.151 3.809 3.960 0.001 0.000 0.185 1023 G HA3 -0.151 3.809 3.960 0.001 0.000 0.185 1023 G C 1.059 175.975 174.900 0.026 0.000 1.174 1023 G CA 0.693 45.819 45.100 0.045 0.000 1.276 1023 G HN 0.605 nan 8.290 nan 0.000 0.424 1024 K N 0.592 120.986 120.400 -0.009 0.000 1.965 1024 K HA 0.314 4.634 4.320 0.001 0.000 0.220 1024 K C 2.668 179.214 176.600 -0.090 0.000 1.046 1024 K CA 2.106 58.376 56.287 -0.027 0.000 0.974 1024 K CB -0.256 32.223 32.500 -0.035 0.000 0.738 1024 K HN 0.586 nan 8.250 nan 0.000 0.444 1025 A N 0.103 122.837 122.820 -0.143 0.000 2.108 1025 A HA 0.084 4.405 4.320 0.001 0.000 0.206 1025 A C 0.563 177.939 177.584 -0.346 0.000 1.212 1025 A CA -0.035 51.854 52.037 -0.247 0.000 0.843 1025 A CB 0.341 19.221 19.000 -0.200 0.000 0.902 1025 A HN 0.224 nan 8.150 nan 0.000 0.477 1026 Q N -0.282 119.379 119.800 -0.232 0.000 2.337 1026 Q HA 0.435 4.776 4.340 0.001 0.000 0.255 1026 Q C 0.047 175.959 176.000 -0.147 0.000 0.997 1026 Q CA -0.480 55.192 55.803 -0.218 0.000 0.925 1026 Q CB 0.351 29.006 28.738 -0.139 0.000 1.212 1026 Q HN 0.424 nan 8.270 nan 0.000 0.436 1027 F N 1.826 121.662 119.950 -0.191 0.000 2.141 1027 F HA -0.120 4.407 4.527 0.001 0.000 0.300 1027 F C 1.440 177.191 175.800 -0.081 0.000 1.079 1027 F CA 1.838 59.656 58.000 -0.303 0.000 1.264 1027 F CB -0.609 38.184 39.000 -0.345 0.000 1.011 1027 F HN 0.753 nan 8.300 nan 0.000 0.487 1028 G N -1.002 107.879 108.800 0.134 0.000 2.895 1028 G HA2 0.204 4.164 3.960 0.001 0.000 0.686 1028 G HA3 0.204 4.164 3.960 0.001 0.000 0.686 1028 G C 0.145 175.107 174.900 0.102 0.000 1.108 1028 G CA -0.710 44.446 45.100 0.092 0.000 0.761 1028 G HN 0.635 nan 8.290 nan 0.000 0.611 1029 G N 0.375 109.201 108.800 0.043 0.000 2.569 1029 G HA2 0.558 4.518 3.960 0.001 0.000 0.249 1029 G HA3 0.558 4.518 3.960 0.001 0.000 0.249 1029 G C 0.254 175.188 174.900 0.056 0.000 1.216 1029 G CA 0.218 45.347 45.100 0.049 0.000 0.845 1029 G HN 0.911 nan 8.290 nan 0.000 0.568 1030 Q N -0.370 119.464 119.800 0.056 0.000 2.306 1030 Q HA 0.307 4.648 4.340 0.001 0.000 0.241 1030 Q C 0.633 176.674 176.000 0.068 0.000 0.948 1030 Q CA -0.051 55.780 55.803 0.046 0.000 0.886 1030 Q CB 0.629 29.393 28.738 0.045 0.000 1.227 1030 Q HN 0.509 nan 8.270 nan 0.000 0.457 1031 R N 1.967 122.492 120.500 0.042 0.000 2.441 1031 R HA 0.161 4.501 4.340 0.001 0.000 0.284 1031 R C -0.019 176.331 176.300 0.084 0.000 1.070 1031 R CA -0.090 56.042 56.100 0.053 0.000 1.047 1031 R CB 0.430 30.731 30.300 0.001 0.000 1.016 1031 R HN 0.682 nan 8.270 nan 0.000 0.477 1032 F N 0.935 120.861 119.950 -0.041 0.000 2.721 1032 F HA 0.230 4.758 4.527 0.001 0.000 0.301 1032 F C 0.976 176.720 175.800 -0.093 0.000 1.096 1032 F CA 0.363 58.331 58.000 -0.052 0.000 1.308 1032 F CB 0.338 39.319 39.000 -0.032 0.000 1.086 1032 F HN 0.852 nan 8.300 nan 0.000 0.587 1033 G N 1.900 110.629 108.800 -0.118 0.000 3.651 1033 G HA2 -0.354 3.607 3.960 0.001 0.000 0.471 1033 G HA3 -0.354 3.607 3.960 0.001 0.000 0.471 1033 G C 0.990 175.676 174.900 -0.357 0.000 1.612 1033 G CA 0.396 45.359 45.100 -0.228 0.000 1.273 1033 G HN 0.654 nan 8.290 nan 0.000 0.570 1034 E N 1.186 121.132 120.200 -0.423 0.000 2.110 1034 E HA -0.217 4.133 4.350 0.001 0.000 0.193 1034 E C 2.458 178.223 176.600 -1.391 0.000 0.988 1034 E CA 1.594 57.555 56.400 -0.733 0.000 0.804 1034 E CB -0.139 29.180 29.700 -0.634 0.000 0.745 1034 E HN 0.527 nan 8.360 nan 0.000 0.458 1035 M N 0.994 119.902 119.600 -1.154 0.000 2.106 1035 M HA -0.195 4.285 4.480 0.001 0.000 0.259 1035 M C 1.790 177.766 176.300 -0.539 0.000 1.068 1035 M CA 1.951 56.702 55.300 -0.915 0.000 1.100 1035 M CB -0.003 32.303 32.600 -0.490 0.000 1.351 1035 M HN 0.050 nan 8.290 nan 0.000 0.404 1036 E N -1.251 118.604 120.200 -0.575 0.000 2.158 1036 E HA -0.059 4.292 4.350 0.001 0.000 0.191 1036 E C 1.991 178.342 176.600 -0.416 0.000 0.982 1036 E CA 0.840 56.871 56.400 -0.615 0.000 0.823 1036 E CB -0.280 28.732 29.700 -1.147 0.000 0.766 1036 E HN 0.256 nan 8.360 nan 0.000 0.468 1037 V N 0.434 120.185 119.914 -0.272 0.000 2.252 1037 V HA -0.280 3.840 4.120 0.001 0.000 0.249 1037 V C 1.818 178.094 176.094 0.303 0.000 1.056 1037 V CA 1.821 64.270 62.300 0.247 0.000 1.022 1037 V CB -0.716 31.222 31.823 0.192 0.000 0.641 1037 V HN 0.383 nan 8.190 nan 0.000 0.445 1038 W N 0.346 121.688 121.300 0.070 0.000 2.321 1038 W HA -0.204 4.457 4.660 0.000 0.000 0.306 1038 W C 2.790 179.357 176.519 0.079 0.000 1.217 1038 W CA 1.469 58.847 57.345 0.056 0.000 1.257 1038 W CB -1.786 27.684 29.460 0.017 0.000 1.145 1038 W HN 0.332 nan 8.180 nan 0.000 0.509 1039 A N 0.162 123.151 122.820 0.282 0.000 1.892 1039 A HA -0.192 4.129 4.320 0.001 0.000 0.218 1039 A C 2.088 179.909 177.584 0.394 0.000 1.188 1039 A CA 2.189 54.387 52.037 0.269 0.000 0.631 1039 A CB -0.979 18.126 19.000 0.175 0.000 0.822 1039 A HN 0.183 nan 8.150 nan 0.000 0.447 1040 L N -0.041 121.396 121.223 0.356 0.000 2.093 1040 L HA -0.121 4.219 4.340 0.001 0.000 0.208 1040 L C 2.495 179.548 176.870 0.306 0.000 1.085 1040 L CA 1.666 56.720 54.840 0.357 0.000 0.755 1040 L CB -0.682 41.576 42.059 0.331 0.000 0.904 1040 L HN 0.410 nan 8.230 nan 0.000 0.435 1041 E N -0.101 120.262 120.200 0.271 0.000 2.058 1041 E HA -0.290 4.060 4.350 0.001 0.000 0.194 1041 E C 2.263 178.950 176.600 0.145 0.000 0.997 1041 E CA 1.447 57.965 56.400 0.196 0.000 0.801 1041 E CB -0.378 29.445 29.700 0.206 0.000 0.746 1041 E HN 0.500 nan 8.360 nan 0.000 0.450 1042 A N 1.496 124.393 122.820 0.129 0.000 1.859 1042 A HA -0.192 4.128 4.320 0.001 0.000 0.218 1042 A C 1.067 178.635 177.584 -0.027 0.000 1.209 1042 A CA 1.284 53.321 52.037 -0.000 0.000 0.639 1042 A CB -1.145 17.801 19.000 -0.090 0.000 0.835 1042 A HN 0.186 nan 8.150 nan 0.000 0.450 1043 Y N -1.125 119.215 120.300 0.066 0.000 2.469 1043 Y HA 0.252 4.802 4.550 0.001 0.000 0.353 1043 Y C 1.841 177.775 175.900 0.057 0.000 1.269 1043 Y CA 0.590 58.725 58.100 0.058 0.000 1.504 1043 Y CB 0.332 38.832 38.460 0.066 0.000 1.369 1043 Y HN 0.157 nan 8.280 nan 0.000 0.654 1044 G N 0.129 109.072 108.800 0.238 0.000 3.314 1044 G HA2 0.264 4.224 3.960 0.001 0.000 0.238 1044 G HA3 0.264 4.224 3.960 0.001 0.000 0.238 1044 G C 0.208 175.202 174.900 0.157 0.000 1.184 1044 G CA 0.149 45.340 45.100 0.153 0.000 0.806 1044 G HN 0.742 nan 8.290 nan 0.000 0.536 1045 A N 0.709 123.639 122.820 0.185 0.000 2.897 1045 A HA 0.603 4.923 4.320 0.001 0.000 0.287 1045 A C 1.671 179.331 177.584 0.128 0.000 1.748 1045 A CA 0.576 52.698 52.037 0.141 0.000 1.397 1045 A CB -0.165 18.901 19.000 0.111 0.000 1.049 1045 A HN 0.510 nan 8.150 nan 0.000 0.592 1046 A N 1.291 124.193 122.820 0.135 0.000 1.878 1046 A HA -0.013 4.308 4.320 0.001 0.000 0.213 1046 A C 1.890 179.470 177.584 -0.006 0.000 1.192 1046 A CA 1.197 53.266 52.037 0.053 0.000 0.619 1046 A CB -0.668 18.342 19.000 0.016 0.000 0.837 1046 A HN 0.853 nan 8.150 nan 0.000 0.446 1047 H N -0.339 118.736 119.070 0.008 0.000 2.357 1047 H HA -0.076 4.480 4.556 0.000 0.000 0.301 1047 H C 2.227 177.541 175.328 -0.023 0.000 1.082 1047 H CA 1.692 57.737 56.048 -0.006 0.000 1.342 1047 H CB -0.367 29.392 29.762 -0.005 0.000 1.389 1047 H HN 0.436 nan 8.280 nan 0.000 0.511 1048 T N 2.029 116.654 114.554 0.117 0.000 2.759 1048 T HA -0.148 4.202 4.350 0.001 0.000 0.269 1048 T C 2.160 176.831 174.700 -0.048 0.000 1.042 1048 T CA 1.205 63.320 62.100 0.024 0.000 1.140 1048 T CB -0.375 68.505 68.868 0.020 0.000 0.864 1048 T HN 0.104 nan 8.240 nan 0.000 0.455 1049 L N 1.008 122.218 121.223 -0.023 0.000 2.072 1049 L HA 0.061 4.402 4.340 0.001 0.000 0.205 1049 L C 2.515 179.326 176.870 -0.099 0.000 1.079 1049 L CA 1.753 56.548 54.840 -0.075 0.000 0.752 1049 L CB -0.939 41.131 42.059 0.019 0.000 0.906 1049 L HN 0.201 nan 8.230 nan 0.000 0.436 1050 Q N -0.387 119.373 119.800 -0.065 0.000 2.061 1050 Q HA -0.307 4.033 4.340 0.001 0.000 0.204 1050 Q C 2.195 178.156 176.000 -0.065 0.000 0.984 1050 Q CA 2.284 58.045 55.803 -0.071 0.000 0.846 1050 Q CB -0.144 28.535 28.738 -0.099 0.000 0.902 1050 Q HN 0.663 nan 8.270 nan 0.000 0.421 1051 E N -0.421 119.747 120.200 -0.053 0.000 2.070 1051 E HA -0.250 4.101 4.350 0.001 0.000 0.197 1051 E C 1.847 178.389 176.600 -0.096 0.000 1.004 1051 E CA 1.732 58.103 56.400 -0.049 0.000 0.805 1051 E CB -0.066 29.613 29.700 -0.034 0.000 0.744 1051 E HN 0.284 nan 8.360 nan 0.000 0.451 1052 M N -0.186 119.298 119.600 -0.193 0.000 2.149 1052 M HA -0.098 4.383 4.480 0.001 0.000 0.261 1052 M C 1.651 177.833 176.300 -0.197 0.000 1.064 1052 M CA 1.473 56.587 55.300 -0.311 0.000 1.102 1052 M CB -0.025 32.134 32.600 -0.736 0.000 1.369 1052 M HN 0.135 nan 8.290 nan 0.000 0.408 1053 L N -2.317 118.823 121.223 -0.138 0.000 2.446 1053 L HA 0.007 4.347 4.340 0.001 0.000 0.219 1053 L C 1.329 178.184 176.870 -0.026 0.000 1.116 1053 L CA 0.595 55.397 54.840 -0.064 0.000 0.844 1053 L CB -0.727 41.306 42.059 -0.045 0.000 0.970 1053 L HN 0.271 nan 8.230 nan 0.000 0.457 1054 T N -1.485 113.053 114.554 -0.028 0.000 3.463 1054 T HA 0.134 4.484 4.350 0.001 0.000 0.203 1054 T C 1.615 176.319 174.700 0.007 0.000 0.955 1054 T CA -0.269 61.829 62.100 -0.003 0.000 1.230 1054 T CB -0.123 68.743 68.868 -0.003 0.000 1.392 1054 T HN -0.057 nan 8.240 nan 0.000 0.361 1055 L N 0.671 121.899 121.223 0.008 0.000 2.081 1055 L HA -0.113 4.227 4.340 0.001 0.000 0.212 1055 L C 2.332 179.231 176.870 0.048 0.000 1.080 1055 L CA 1.594 56.450 54.840 0.027 0.000 0.754 1055 L CB -0.291 41.783 42.059 0.026 0.000 0.893 1055 L HN 0.231 nan 8.230 nan 0.000 0.433 1056 K N -1.398 119.021 120.400 0.032 0.000 2.323 1056 K HA -0.033 4.287 4.320 0.001 0.000 0.197 1056 K C 1.905 178.571 176.600 0.110 0.000 1.043 1056 K CA 0.900 57.223 56.287 0.059 0.000 0.997 1056 K CB 0.367 32.872 32.500 0.009 0.000 0.807 1056 K HN 0.318 nan 8.250 nan 0.000 0.497 1057 S N -1.413 114.342 115.700 0.092 0.000 3.325 1057 S HA 0.070 4.540 4.470 0.001 0.000 0.254 1057 S C 1.334 176.004 174.600 0.117 0.000 1.084 1057 S CA 0.067 58.358 58.200 0.152 0.000 0.786 1057 S CB -0.057 63.200 63.200 0.096 0.000 0.849 1057 S HN 0.071 nan 8.310 nan 0.000 0.483 1058 D N 1.346 121.772 120.400 0.044 0.000 2.431 1058 D HA 0.191 4.831 4.640 0.001 0.000 0.227 1058 D C -0.113 176.167 176.300 -0.034 0.000 1.030 1058 D CA 0.194 54.200 54.000 0.009 0.000 0.897 1058 D CB -0.187 40.634 40.800 0.036 0.000 1.058 1058 D HN 0.309 nan 8.370 nan 0.000 0.500 1059 D N 1.270 121.661 120.400 -0.016 0.000 2.376 1059 D HA -0.085 4.556 4.640 0.001 0.000 0.278 1059 D C 1.638 177.896 176.300 -0.070 0.000 1.384 1059 D CA -0.010 53.977 54.000 -0.022 0.000 1.033 1059 D CB 0.056 40.855 40.800 -0.001 0.000 1.102 1059 D HN 0.245 nan 8.370 nan 0.000 0.530 1060 I N 3.674 124.185 120.570 -0.099 0.000 2.127 1060 I HA -0.297 3.874 4.170 0.001 0.000 0.241 1060 I C 1.782 177.843 176.117 -0.093 0.000 1.075 1060 I CA 1.645 62.853 61.300 -0.153 0.000 1.334 1060 I CB 0.279 38.200 38.000 -0.131 0.000 1.040 1060 I HN 0.329 nan 8.210 nan 0.000 0.405 1061 E N 0.081 120.252 120.200 -0.047 0.000 2.208 1061 E HA -0.067 4.284 4.350 0.001 0.000 0.193 1061 E C 2.119 178.716 176.600 -0.006 0.000 0.988 1061 E CA 0.942 57.328 56.400 -0.022 0.000 0.828 1061 E CB -0.391 29.303 29.700 -0.010 0.000 0.763 1061 E HN 0.677 nan 8.360 nan 0.000 0.478 1062 G N 1.939 110.736 108.800 -0.005 0.000 2.433 1062 G HA2 -0.333 3.628 3.960 0.001 0.000 0.216 1062 G HA3 -0.333 3.628 3.960 0.001 0.000 0.216 1062 G C 1.567 176.484 174.900 0.029 0.000 1.186 1062 G CA 1.111 46.219 45.100 0.013 0.000 0.779 1062 G HN 0.261 nan 8.290 nan 0.000 0.543 1063 R N 0.373 120.887 120.500 0.023 0.000 2.105 1063 R HA 0.015 4.355 4.340 0.001 0.000 0.239 1063 R C 2.125 178.479 176.300 0.089 0.000 1.135 1063 R CA 1.594 57.734 56.100 0.067 0.000 0.967 1063 R CB -0.724 29.617 30.300 0.069 0.000 0.861 1063 R HN 0.264 nan 8.270 nan 0.000 0.442 1064 N N 1.093 119.819 118.700 0.042 0.000 2.039 1064 N HA -0.120 4.620 4.740 0.001 0.000 0.193 1064 N C 1.949 177.514 175.510 0.092 0.000 1.044 1064 N CA 1.740 54.820 53.050 0.050 0.000 0.847 1064 N CB -0.295 38.195 38.487 0.006 0.000 1.030 1064 N HN 0.397 nan 8.380 nan 0.000 0.422 1065 A N 1.311 124.169 122.820 0.063 0.000 1.972 1065 A HA -0.024 4.296 4.320 0.001 0.000 0.219 1065 A C 2.383 180.015 177.584 0.079 0.000 1.169 1065 A CA 1.818 53.894 52.037 0.064 0.000 0.635 1065 A CB -0.685 18.338 19.000 0.040 0.000 0.810 1065 A HN 0.376 nan 8.150 nan 0.000 0.446 1066 A N -0.998 121.873 122.820 0.085 0.000 1.851 1066 A HA -0.171 4.150 4.320 0.001 0.000 0.216 1066 A C 2.118 179.764 177.584 0.103 0.000 1.195 1066 A CA 1.783 53.869 52.037 0.081 0.000 0.622 1066 A CB -1.087 17.964 19.000 0.085 0.000 0.831 1066 A HN 0.729 nan 8.150 nan 0.000 0.444 1067 Y N 0.385 120.700 120.300 0.024 0.000 2.014 1067 Y HA -0.304 4.246 4.550 0.000 0.000 0.272 1067 Y C 2.460 178.370 175.900 0.015 0.000 1.164 1067 Y CA 2.589 60.703 58.100 0.023 0.000 1.114 1067 Y CB -0.501 37.978 38.460 0.032 0.000 0.961 1067 Y HN 0.494 nan 8.280 nan 0.000 0.489 1068 E N -0.287 120.068 120.200 0.258 0.000 2.086 1068 E HA -0.349 4.002 4.350 0.001 0.000 0.200 1068 E C 2.293 178.907 176.600 0.024 0.000 1.012 1068 E CA 1.261 57.747 56.400 0.144 0.000 0.812 1068 E CB -0.450 29.332 29.700 0.136 0.000 0.743 1068 E HN 0.621 nan 8.360 nan 0.000 0.453 1069 A N 0.792 123.626 122.820 0.023 0.000 1.883 1069 A HA -0.212 4.108 4.320 0.001 0.000 0.217 1069 A C 2.137 179.697 177.584 -0.039 0.000 1.186 1069 A CA 1.514 53.549 52.037 -0.003 0.000 0.624 1069 A CB -0.655 18.350 19.000 0.009 0.000 0.822 1069 A HN 0.220 nan 8.150 nan 0.000 0.444 1070 I N -0.006 120.519 120.570 -0.074 0.000 2.226 1070 I HA -0.228 3.943 4.170 0.001 0.000 0.245 1070 I C 2.092 178.118 176.117 -0.151 0.000 1.100 1070 I CA 0.774 62.004 61.300 -0.116 0.000 1.374 1070 I CB -0.324 37.580 38.000 -0.159 0.000 1.057 1070 I HN 0.234 nan 8.210 nan 0.000 0.413 1071 I N 1.067 121.511 120.570 -0.211 0.000 2.248 1071 I HA -0.317 3.854 4.170 0.001 0.000 0.248 1071 I C 2.491 178.556 176.117 -0.088 0.000 1.107 1071 I CA 1.736 62.928 61.300 -0.181 0.000 1.373 1071 I CB -1.081 36.830 38.000 -0.149 0.000 1.055 1071 I HN 0.340 nan 8.210 nan 0.000 0.418 1072 K N 0.501 120.865 120.400 -0.061 0.000 2.167 1072 K HA -0.018 4.303 4.320 0.001 0.000 0.203 1072 K C 1.251 177.830 176.600 -0.035 0.000 1.052 1072 K CA 1.075 57.342 56.287 -0.034 0.000 0.956 1072 K CB 0.099 32.589 32.500 -0.018 0.000 0.735 1072 K HN 0.387 nan 8.250 nan 0.000 0.451 1073 G N 1.518 110.291 108.800 -0.045 0.000 2.149 1073 G HA2 -0.258 3.703 3.960 0.001 0.000 0.235 1073 G HA3 -0.258 3.703 3.960 0.001 0.000 0.235 1073 G C -0.216 174.668 174.900 -0.027 0.000 1.018 1073 G CA 0.429 45.507 45.100 -0.038 0.000 0.728 1073 G HN 0.485 nan 8.290 nan 0.000 0.508 1074 E N -0.443 119.742 120.200 -0.024 0.000 2.561 1074 E HA 0.374 4.725 4.350 0.001 0.000 0.254 1074 E C -0.875 175.717 176.600 -0.013 0.000 1.213 1074 E CA -0.808 55.584 56.400 -0.015 0.000 0.995 1074 E CB 0.719 30.414 29.700 -0.008 0.000 1.233 1074 E HN 0.123 nan 8.360 nan 0.000 0.556 1075 D N 1.588 121.985 120.400 -0.006 0.000 2.427 1075 D HA 0.144 4.785 4.640 0.001 0.000 0.226 1075 D C -0.276 176.028 176.300 0.006 0.000 1.076 1075 D CA -0.344 53.654 54.000 -0.003 0.000 0.849 1075 D CB 1.211 42.010 40.800 -0.003 0.000 1.052 1075 D HN 0.337 nan 8.370 nan 0.000 0.515 1076 V N 2.644 122.564 119.914 0.009 0.000 2.832 1076 V HA -0.002 4.118 4.120 0.001 0.000 0.299 1076 V C -2.172 173.936 176.094 0.023 0.000 1.201 1076 V CA -0.927 61.384 62.300 0.018 0.000 1.325 1076 V CB -0.515 31.321 31.823 0.022 0.000 0.871 1076 V HN 0.411 nan 8.190 nan 0.000 0.509 1077 P HA 0.229 nan 4.420 nan 0.000 0.274 1077 P C -0.213 177.103 177.300 0.027 0.000 1.264 1077 P CA -0.258 62.856 63.100 0.023 0.000 0.795 1077 P CB 0.338 32.051 31.700 0.021 0.000 1.064 1078 E N 0.679 120.894 120.200 0.025 0.000 2.301 1078 E HA 0.246 4.596 4.350 0.001 0.000 0.275 1078 E C -2.021 174.590 176.600 0.020 0.000 1.030 1078 E CA -1.873 54.542 56.400 0.026 0.000 0.852 1078 E CB -0.425 29.289 29.700 0.024 0.000 1.060 1078 E HN 0.261 nan 8.360 nan 0.000 0.401 1079 P HA -0.076 nan 4.420 nan 0.000 0.259 1079 P C -0.355 176.955 177.300 0.016 0.000 1.163 1079 P CA 0.554 63.663 63.100 0.015 0.000 0.760 1079 P CB 0.492 32.197 31.700 0.008 0.000 0.762 1080 S N 2.358 118.067 115.700 0.016 0.000 2.669 1080 S HA 0.337 4.807 4.470 0.001 0.000 0.270 1080 S C 0.006 174.623 174.600 0.029 0.000 1.225 1080 S CA -0.846 57.363 58.200 0.016 0.000 0.991 1080 S CB 0.516 63.722 63.200 0.010 0.000 0.987 1080 S HN 0.131 nan 8.310 nan 0.000 0.552 1081 V N 3.965 123.897 119.914 0.030 0.000 2.715 1081 V HA 0.253 4.373 4.120 0.001 0.000 0.299 1081 V C -2.086 174.053 176.094 0.075 0.000 1.054 1081 V CA -1.221 61.121 62.300 0.070 0.000 1.077 1081 V CB 0.476 32.313 31.823 0.024 0.000 0.972 1081 V HN 0.752 nan 8.190 nan 0.000 0.484 1082 P HA 0.138 nan 4.420 nan 0.000 0.271 1082 P C 0.794 178.167 177.300 0.121 0.000 1.216 1082 P CA -0.199 62.962 63.100 0.101 0.000 0.776 1082 P CB 0.623 32.386 31.700 0.105 0.000 0.881 1083 E N 1.286 121.528 120.200 0.070 0.000 2.153 1083 E HA -0.163 4.188 4.350 0.001 0.000 0.194 1083 E C 1.801 178.470 176.600 0.114 0.000 0.988 1083 E CA 1.775 58.219 56.400 0.072 0.000 0.811 1083 E CB -0.316 29.397 29.700 0.021 0.000 0.746 1083 E HN 0.545 nan 8.360 nan 0.000 0.466 1084 S N 0.893 116.664 115.700 0.119 0.000 2.383 1084 S HA -0.183 4.288 4.470 0.001 0.000 0.229 1084 S C 1.947 176.679 174.600 0.221 0.000 1.030 1084 S CA 0.907 59.187 58.200 0.133 0.000 1.002 1084 S CB -0.546 62.715 63.200 0.101 0.000 0.829 1084 S HN 0.232 nan 8.310 nan 0.000 0.467 1085 F N 3.360 123.333 119.950 0.038 0.000 2.051 1085 F HA 0.091 4.618 4.527 0.000 0.000 0.296 1085 F C 2.499 178.344 175.800 0.075 0.000 1.122 1085 F CA 1.209 59.229 58.000 0.033 0.000 1.201 1085 F CB -1.051 37.950 39.000 0.001 0.000 0.978 1085 F HN 0.138 nan 8.300 nan 0.000 0.472 1086 R N -0.208 120.383 120.500 0.151 0.000 2.094 1086 R HA -0.185 4.155 4.340 0.001 0.000 0.239 1086 R C 2.259 178.711 176.300 0.253 0.000 1.137 1086 R CA 1.803 58.028 56.100 0.208 0.000 0.943 1086 R CB -1.241 29.232 30.300 0.288 0.000 0.850 1086 R HN 0.313 nan 8.270 nan 0.000 0.433 1087 V N 1.490 121.505 119.914 0.167 0.000 2.469 1087 V HA -0.205 3.915 4.120 0.001 0.000 0.251 1087 V C 2.086 178.262 176.094 0.137 0.000 1.064 1087 V CA 1.516 63.885 62.300 0.114 0.000 1.066 1087 V CB -0.244 31.628 31.823 0.082 0.000 0.667 1087 V HN 0.328 nan 8.190 nan 0.000 0.461 1088 L N -0.825 120.513 121.223 0.191 0.000 2.027 1088 L HA -0.113 4.227 4.340 0.001 0.000 0.206 1088 L C 2.406 179.394 176.870 0.197 0.000 1.074 1088 L CA 2.053 57.008 54.840 0.191 0.000 0.745 1088 L CB -0.192 42.010 42.059 0.239 0.000 0.898 1088 L HN 0.253 nan 8.230 nan 0.000 0.433 1089 V N -0.090 119.973 119.914 0.249 0.000 2.231 1089 V HA -0.334 3.786 4.120 0.001 0.000 0.248 1089 V C 2.666 178.877 176.094 0.195 0.000 1.054 1089 V CA 1.870 64.302 62.300 0.221 0.000 1.015 1089 V CB -0.884 31.054 31.823 0.192 0.000 0.638 1089 V HN 0.387 nan 8.190 nan 0.000 0.444 1090 K N 0.142 120.661 120.400 0.198 0.000 2.103 1090 K HA -0.181 4.140 4.320 0.001 0.000 0.207 1090 K C 2.123 178.761 176.600 0.063 0.000 1.048 1090 K CA 1.575 57.914 56.287 0.087 0.000 0.930 1090 K CB -0.510 31.980 32.500 -0.017 0.000 0.716 1090 K HN 0.650 nan 8.250 nan 0.000 0.444 1091 E N 0.504 120.747 120.200 0.072 0.000 2.058 1091 E HA -0.149 4.201 4.350 0.001 0.000 0.194 1091 E C 2.106 178.741 176.600 0.058 0.000 0.997 1091 E CA 0.929 57.363 56.400 0.056 0.000 0.801 1091 E CB -0.171 29.566 29.700 0.062 0.000 0.746 1091 E HN 0.131 nan 8.360 nan 0.000 0.450 1092 L N 0.878 122.148 121.223 0.077 0.000 2.191 1092 L HA -0.224 4.117 4.340 0.001 0.000 0.212 1092 L C 2.427 179.334 176.870 0.061 0.000 1.103 1092 L CA 0.922 55.805 54.840 0.071 0.000 0.769 1092 L CB -0.042 42.070 42.059 0.088 0.000 0.908 1092 L HN 0.204 nan 8.230 nan 0.000 0.438 1093 Q N -1.062 118.778 119.800 0.067 0.000 2.187 1093 Q HA -0.067 4.273 4.340 0.001 0.000 0.199 1093 Q C 2.379 178.399 176.000 0.034 0.000 0.957 1093 Q CA 1.164 57.000 55.803 0.054 0.000 0.857 1093 Q CB -0.068 28.709 28.738 0.064 0.000 0.929 1093 Q HN 0.548 nan 8.270 nan 0.000 0.453 1094 A N 1.016 123.853 122.820 0.029 0.000 1.986 1094 A HA -0.129 4.191 4.320 0.001 0.000 0.220 1094 A C 1.145 178.741 177.584 0.020 0.000 1.171 1094 A CA 0.924 52.972 52.037 0.018 0.000 0.640 1094 A CB -0.528 18.482 19.000 0.017 0.000 0.811 1094 A HN 0.229 nan 8.150 nan 0.000 0.451 1095 L N -2.412 118.826 121.223 0.026 0.000 2.399 1095 L HA 0.529 4.869 4.340 0.001 0.000 0.266 1095 L C 1.765 178.650 176.870 0.025 0.000 1.114 1095 L CA 0.052 54.906 54.840 0.024 0.000 0.804 1095 L CB 0.453 42.528 42.059 0.026 0.000 1.146 1095 L HN 0.211 nan 8.230 nan 0.000 0.451 1096 A N 2.532 125.365 122.820 0.020 0.000 1.894 1096 A HA -0.152 4.168 4.320 0.001 0.000 0.220 1096 A C 1.058 178.656 177.584 0.025 0.000 1.237 1096 A CA 1.303 53.352 52.037 0.020 0.000 0.660 1096 A CB -0.904 18.106 19.000 0.017 0.000 0.835 1096 A HN 0.542 nan 8.150 nan 0.000 0.461 1097 L N 0.089 121.328 121.223 0.027 0.000 2.714 1097 L HA -0.059 4.281 4.340 0.001 0.000 0.301 1097 L C 0.014 176.907 176.870 0.038 0.000 1.248 1097 L CA 0.989 55.847 54.840 0.031 0.000 0.885 1097 L CB -1.017 41.062 42.059 0.034 0.000 1.143 1097 L HN 0.529 nan 8.230 nan 0.000 0.500 1098 D N 2.136 122.558 120.400 0.037 0.000 2.414 1098 D HA 0.443 5.084 4.640 0.001 0.000 0.232 1098 D C -0.780 175.547 176.300 0.044 0.000 1.070 1098 D CA -0.375 53.650 54.000 0.041 0.000 0.839 1098 D CB 1.074 41.894 40.800 0.032 0.000 1.079 1098 D HN 0.192 nan 8.370 nan 0.000 0.521 1099 V N 3.025 122.973 119.914 0.057 0.000 2.311 1099 V HA 0.519 4.640 4.120 0.001 0.000 0.275 1099 V C -0.187 175.931 176.094 0.040 0.000 1.022 1099 V CA -0.856 61.481 62.300 0.061 0.000 0.830 1099 V CB 0.738 32.618 31.823 0.095 0.000 1.012 1099 V HN 0.454 nan 8.190 nan 0.000 0.452 1100 Q N 3.857 123.673 119.800 0.027 0.000 2.340 1100 Q HA 0.571 4.912 4.340 0.001 0.000 0.268 1100 Q C 0.064 176.067 176.000 0.006 0.000 1.031 1100 Q CA -0.338 55.464 55.803 -0.001 0.000 0.804 1100 Q CB 1.969 30.708 28.738 0.002 0.000 1.286 1100 Q HN 0.984 nan 8.270 nan 0.000 0.448 1101 T N 1.179 115.722 114.554 -0.018 0.000 2.860 1101 T HA 0.628 4.978 4.350 0.001 0.000 0.299 1101 T C 0.230 174.928 174.700 -0.003 0.000 1.045 1101 T CA -0.515 61.590 62.100 0.009 0.000 1.071 1101 T CB 0.493 69.357 68.868 -0.006 0.000 0.985 1101 T HN 0.536 nan 8.240 nan 0.000 0.537 1102 L N 0.113 121.340 121.223 0.006 0.000 2.277 1102 L HA 0.628 4.969 4.340 0.001 0.000 0.254 1102 L C -0.146 176.724 176.870 -0.000 0.000 1.044 1102 L CA -1.215 53.626 54.840 0.000 0.000 0.842 1102 L CB 2.258 44.319 42.059 0.004 0.000 1.422 1102 L HN 0.736 nan 8.230 nan 0.000 0.422 1103 D N -1.030 119.369 120.400 -0.002 0.000 2.567 1103 D HA 0.184 4.824 4.640 0.001 0.000 0.275 1103 D C 0.655 176.955 176.300 -0.001 0.000 1.195 1103 D CA -0.189 53.810 54.000 -0.002 0.000 1.087 1103 D CB 1.049 41.847 40.800 -0.003 0.000 1.165 1103 D HN 0.445 nan 8.370 nan 0.000 0.609 1104 E N -0.072 120.128 120.200 -0.001 0.000 2.021 1104 E HA -0.119 4.231 4.350 0.001 0.000 0.200 1104 E C 0.135 176.735 176.600 -0.001 0.000 1.015 1104 E CA 1.448 57.848 56.400 -0.001 0.000 0.824 1104 E CB -0.485 29.215 29.700 -0.001 0.000 0.762 1104 E HN 0.442 nan 8.360 nan 0.000 0.454 1105 K N 1.514 121.914 120.400 -0.001 0.000 2.185 1105 K HA 0.141 4.462 4.320 0.001 0.000 0.271 1105 K C -0.643 175.957 176.600 -0.000 0.000 1.013 1105 K CA -0.441 55.846 56.287 -0.000 0.000 0.943 1105 K CB 0.734 33.233 32.500 -0.000 0.000 0.998 1105 K HN -0.208 nan 8.250 nan 0.000 0.468 1106 D N 3.040 123.440 120.400 0.000 0.000 2.426 1106 D HA 0.016 4.657 4.640 0.001 0.000 0.271 1106 D C -0.635 175.666 176.300 0.000 0.000 1.376 1106 D CA 0.647 54.648 54.000 0.001 0.000 1.149 1106 D CB -0.316 40.485 40.800 0.002 0.000 1.118 1106 D HN 0.438 nan 8.370 nan 0.000 0.529 1107 N N 1.614 120.313 118.700 -0.001 0.000 2.494 1107 N HA 0.313 5.054 4.740 0.001 0.000 0.270 1107 N C -2.754 172.754 175.510 -0.004 0.000 1.285 1107 N CA -1.379 51.670 53.050 -0.002 0.000 0.812 1107 N CB 2.900 41.386 38.487 -0.002 0.000 1.557 1107 N HN -0.114 nan 8.380 nan 0.000 0.487 1108 P HA 0.110 nan 4.420 nan 0.000 0.271 1108 P C -0.903 176.387 177.300 -0.017 0.000 1.233 1108 P CA -0.069 63.023 63.100 -0.013 0.000 0.789 1108 P CB 0.825 32.518 31.700 -0.012 0.000 0.951 1109 V N 0.412 120.309 119.914 -0.029 0.000 3.120 1109 V HA 0.457 4.578 4.120 0.001 0.000 0.303 1109 V C -1.892 174.160 176.094 -0.069 0.000 1.238 1109 V CA -0.557 61.720 62.300 -0.038 0.000 1.008 1109 V CB 2.551 34.357 31.823 -0.029 0.000 1.064 1109 V HN 0.329 nan 8.190 nan 0.000 0.434 1110 D N 3.114 123.470 120.400 -0.074 0.000 2.408 1110 D HA 0.494 5.135 4.640 0.001 0.000 0.243 1110 D C 0.991 177.192 176.300 -0.165 0.000 1.075 1110 D CA -0.150 53.782 54.000 -0.114 0.000 0.832 1110 D CB 1.627 42.395 40.800 -0.053 0.000 1.162 1110 D HN 0.571 nan 8.370 nan 0.000 0.515 1111 I N -0.094 120.273 120.570 -0.339 0.000 2.206 1111 I HA 0.171 4.342 4.170 0.001 0.000 0.239 1111 I C 0.662 176.576 176.117 -0.337 0.000 1.078 1111 I CA 0.341 61.366 61.300 -0.458 0.000 1.367 1111 I CB -0.430 37.040 38.000 -0.882 0.000 1.078 1111 I HN 0.115 nan 8.210 nan 0.000 0.413 1112 F N 2.845 122.704 119.950 -0.152 0.000 2.506 1112 F HA 0.081 4.608 4.527 0.001 0.000 0.369 1112 F C 1.747 177.503 175.800 -0.073 0.000 1.114 1112 F CA -0.041 57.894 58.000 -0.109 0.000 1.121 1112 F CB -0.013 38.928 39.000 -0.098 0.000 1.104 1112 F HN 0.183 nan 8.300 nan 0.000 0.564 1113 E N 2.808 123.063 120.200 0.092 0.000 2.114 1113 E HA -0.197 4.153 4.350 0.001 0.000 0.199 1113 E C 1.795 178.422 176.600 0.045 0.000 1.008 1113 E CA 1.436 57.860 56.400 0.040 0.000 0.810 1113 E CB 0.010 29.724 29.700 0.024 0.000 0.739 1113 E HN 0.944 nan 8.360 nan 0.000 0.456 1114 G N -1.354 107.480 108.800 0.057 0.000 4.417 1114 G HA2 0.062 4.022 3.960 0.001 0.000 0.221 1114 G HA3 0.062 4.022 3.960 0.001 0.000 0.221 1114 G C 0.428 175.345 174.900 0.029 0.000 1.003 1114 G CA -0.190 44.933 45.100 0.038 0.000 0.832 1114 G HN 0.022 nan 8.290 nan 0.000 0.356 1115 L N 0.447 121.690 121.223 0.033 0.000 2.529 1115 L HA 0.510 4.850 4.340 0.001 0.000 0.223 1115 L C 2.475 179.328 176.870 -0.028 0.000 1.113 1115 L CA 1.333 56.165 54.840 -0.014 0.000 0.861 1115 L CB -0.150 41.878 42.059 -0.052 0.000 1.012 1115 L HN 0.133 nan 8.230 nan 0.000 0.461 1116 A N -0.975 121.862 122.820 0.028 0.000 1.943 1116 A HA 0.141 4.462 4.320 0.001 0.000 0.213 1116 A C 1.530 179.131 177.584 0.028 0.000 1.181 1116 A CA 0.197 52.254 52.037 0.034 0.000 0.653 1116 A CB -0.387 18.725 19.000 0.186 0.000 0.833 1116 A HN 0.314 nan 8.150 nan 0.000 0.451 1117 S N 0.366 116.086 115.700 0.033 0.000 2.560 1117 S HA 0.220 4.690 4.470 0.001 0.000 0.276 1117 S C 0.259 174.862 174.600 0.006 0.000 1.350 1117 S CA 0.175 58.386 58.200 0.019 0.000 1.024 1117 S CB 0.339 63.549 63.200 0.016 0.000 0.864 1117 S HN 0.625 nan 8.310 nan 0.000 0.536 1118 K N 1.280 121.682 120.400 0.003 0.000 2.164 1118 K HA 0.637 4.958 4.320 0.001 0.000 0.258 1118 K C -0.331 176.266 176.600 -0.004 0.000 0.951 1118 K CA -0.592 55.693 56.287 -0.004 0.000 0.844 1118 K CB 0.803 33.301 32.500 -0.003 0.000 1.099 1118 K HN 0.692 nan 8.250 nan 0.000 0.435 1119 R N 0.000 120.495 120.500 -0.008 0.000 2.786 1119 R HA 0.000 4.340 4.340 0.001 0.000 0.208 1119 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 1119 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 1119 R HN 0.000 nan 8.270 nan 0.000 0.535