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 2byt_1_D DATA FIRST_RESID 1 DATA SEQUENCE MEKYNPHAIE AKWQRFWEEK GFMKAKDLPG GRGKQYVLVM FPYPSGDLHM DATA SEQUENCE GHLKNYTMGD VLARFRRMQG YEVLHPMGWD AFGLPAENAA LKFGVHPKDW DATA SEQUENCE TYANIRQAKE SLRLMGILYD WDREVTTCEP EYYRWNQWIF LKMWEKGLAY DATA SEQUENCE RAKGLVNWCP KCQTVLANEQ VVEGRCWRHE DTPVEKRELE QWYLRITAYA DATA SEQUENCE ERLLKDLEGL NWPEKVKAMQ RAWIGRSEGA EILFPVEGKE VRIPVFTTRP DATA SEQUENCE DTLFGATFLV LAPEHPLTLE LAAPEKREEV LAYVEAAKRK TEIERQAEGR DATA SEQUENCE EKTGVFLGAY ALNPATGERI PIWTADYVLF GYGTGAIMAV PAHDQRDYEF DATA SEQUENCE ARKFGLPIKK VIERPGEPLP EPLERAYEEP GIMVNSGPFD GTESEEGKRK DATA SEQUENCE VIAWLEEKGL GKGRVTYRLR DWLISRQRYW GTPIPMVHCE ACGVVPVPEE DATA SEQUENCE ELPVLLPDLK DVEDIRPKGK SPLEAHPEFY ETTCPKCGGP AKRDTDTMDT DATA SEQUENCE FFDSSWYYLR YTDPHNDRLP FDPEKANAWM PVDQYIGGVE HAVLHLLYSR DATA SEQUENCE FFTKFLHDLG MVKVEEPFQG LFTQGMVLAW TDFGPVEVEG SVVRLPEPTR DATA SEQUENCE IRLEIPESAL SLEDVRKMGA ELRPHEDGTL HLWKPAVMSK SKGNGVMVGP DATA SEQUENCE FVKEQGADIA RITILFAAPP ENEMVWTEEG VQGAWRFLNR IYRRVAEDRE DATA SEQUENCE ALLETSGVFQ AEALEGKDRE LYGKLHETLK KVTEDLEALR FNTAIAALME DATA SEQUENCE FLNALYEYRK DRPVTPVYRT AIRYYLQMLF PFAPHLAEEL WHWFWPDSLF DATA SEQUENCE EAGWPELDEK ALEKDVVEVA VQVNGRVRGT IHIPKDAPLE VARAEALKVR DATA SEQUENCE NVRAHLEGKE VVKEIYVPGK ILNLVV 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 0.000 176.351 176.300 0.085 0.000 1.140 1 M CA 0.000 55.336 55.300 0.059 0.000 0.988 1 M CB 0.000 32.649 32.600 0.081 0.000 1.302 2 E N 3.506 123.770 120.200 0.108 0.000 2.569 2 E HA 0.250 4.601 4.350 0.002 0.000 0.258 2 E C -0.869 175.810 176.600 0.133 0.000 1.390 2 E CA -0.447 56.027 56.400 0.123 0.000 1.049 2 E CB 0.774 30.573 29.700 0.165 0.000 1.009 2 E HN 0.566 nan 8.360 nan 0.000 0.580 3 K N -0.813 119.602 120.400 0.024 0.000 2.509 3 K HA 0.155 4.476 4.320 0.002 0.000 0.266 3 K C -1.617 174.676 176.600 -0.513 0.000 0.987 3 K CA -0.938 55.264 56.287 -0.142 0.000 0.868 3 K CB 1.372 33.868 32.500 -0.006 0.000 1.421 3 K HN 0.487 nan 8.250 nan 0.000 0.444 4 Y N 2.866 122.647 120.300 -0.865 0.000 2.650 4 Y HA 0.104 4.655 4.550 0.002 0.000 0.342 4 Y C -0.735 175.027 175.900 -0.231 0.000 1.110 4 Y CA 0.015 57.624 58.100 -0.817 0.000 1.438 4 Y CB 0.046 38.254 38.460 -0.420 0.000 1.181 4 Y HN 0.396 nan 8.280 nan 0.000 0.526 5 N N 8.959 127.403 118.700 -0.427 0.000 2.569 5 N HA 0.295 5.036 4.740 0.002 0.000 0.254 5 N C -2.425 172.864 175.510 -0.367 0.000 1.004 5 N CA -2.087 50.766 53.050 -0.328 0.000 0.904 5 N CB 1.920 40.363 38.487 -0.073 0.000 1.165 5 N HN 0.327 nan 8.380 nan 0.000 0.513 6 P HA -0.090 nan 4.420 nan 0.000 0.210 6 P C 0.574 177.739 177.300 -0.224 0.000 1.189 6 P CA 1.610 64.446 63.100 -0.439 0.000 0.920 6 P CB 0.114 31.462 31.700 -0.585 0.000 0.782 7 H N -0.696 118.289 119.070 -0.142 0.000 2.496 7 H HA -0.103 4.454 4.556 0.002 0.000 0.296 7 H C 1.800 177.081 175.328 -0.078 0.000 1.107 7 H CA 1.360 57.354 56.048 -0.091 0.000 1.263 7 H CB -1.114 28.607 29.762 -0.069 0.000 1.369 7 H HN 0.125 nan 8.280 nan 0.000 0.541 8 A N 0.731 123.580 122.820 0.049 0.000 1.897 8 A HA -0.009 4.312 4.320 0.002 0.000 0.215 8 A C 2.234 179.808 177.584 -0.017 0.000 1.181 8 A CA 1.556 53.605 52.037 0.019 0.000 0.620 8 A CB -0.307 18.715 19.000 0.036 0.000 0.821 8 A HN 0.553 nan 8.150 nan 0.000 0.443 9 I N -4.413 116.161 120.570 0.005 0.000 3.883 9 I HA 0.198 4.369 4.170 0.002 0.000 0.305 9 I C 1.819 177.937 176.117 0.001 0.000 1.247 9 I CA 0.414 61.710 61.300 -0.007 0.000 1.350 9 I CB -0.428 37.700 38.000 0.213 0.000 1.194 9 I HN 0.134 nan 8.210 nan 0.000 0.441 10 E N 2.515 122.703 120.200 -0.021 0.000 2.012 10 E HA -0.255 4.096 4.350 0.002 0.000 0.211 10 E C 2.332 178.851 176.600 -0.135 0.000 1.029 10 E CA 1.990 58.272 56.400 -0.197 0.000 0.867 10 E CB -0.340 29.104 29.700 -0.427 0.000 0.790 10 E HN 0.560 nan 8.360 nan 0.000 0.482 11 A N 1.407 124.157 122.820 -0.116 0.000 2.104 11 A HA -0.324 3.997 4.320 0.002 0.000 0.223 11 A C 1.995 179.543 177.584 -0.060 0.000 1.164 11 A CA 2.105 54.111 52.037 -0.052 0.000 0.659 11 A CB -0.705 18.273 19.000 -0.037 0.000 0.808 11 A HN 0.245 nan 8.150 nan 0.000 0.465 12 K N -1.222 119.098 120.400 -0.133 0.000 1.984 12 K HA -0.189 4.132 4.320 0.002 0.000 0.209 12 K C 1.897 178.362 176.600 -0.224 0.000 1.046 12 K CA 1.511 57.653 56.287 -0.243 0.000 0.934 12 K CB -0.431 31.803 32.500 -0.443 0.000 0.717 12 K HN 0.619 nan 8.250 nan 0.000 0.438 13 W N 1.886 123.057 121.300 -0.216 0.000 2.358 13 W HA -0.148 4.513 4.660 0.002 0.000 0.303 13 W C 2.535 178.620 176.519 -0.723 0.000 1.208 13 W CA 0.855 57.905 57.345 -0.493 0.000 1.274 13 W CB -0.089 28.997 29.460 -0.624 0.000 1.138 13 W HN 0.304 nan 8.180 nan 0.000 0.515 14 Q N 0.391 120.117 119.800 -0.123 0.000 2.077 14 Q HA -0.246 4.095 4.340 0.002 0.000 0.206 14 Q C 2.079 178.181 176.000 0.170 0.000 0.989 14 Q CA 1.752 57.640 55.803 0.142 0.000 0.853 14 Q CB -0.627 28.259 28.738 0.246 0.000 0.907 14 Q HN 0.405 nan 8.270 nan 0.000 0.418 15 R N -0.306 120.256 120.500 0.103 0.000 2.120 15 R HA -0.128 4.213 4.340 0.002 0.000 0.234 15 R C 2.145 178.553 176.300 0.181 0.000 1.123 15 R CA 1.187 57.357 56.100 0.117 0.000 0.975 15 R CB -0.342 29.995 30.300 0.062 0.000 0.866 15 R HN 0.224 nan 8.270 nan 0.000 0.446 16 F N 0.486 120.441 119.950 0.009 0.000 2.146 16 F HA -0.175 4.353 4.527 0.002 0.000 0.298 16 F C 1.608 177.574 175.800 0.277 0.000 1.096 16 F CA 1.031 59.093 58.000 0.103 0.000 1.275 16 F CB -0.207 38.884 39.000 0.152 0.000 1.008 16 F HN 0.007 nan 8.300 nan 0.000 0.480 17 W N 0.816 122.241 121.300 0.208 0.000 2.381 17 W HA -0.095 4.566 4.660 0.002 0.000 0.301 17 W C 2.494 178.990 176.519 -0.038 0.000 1.205 17 W CA 1.331 58.747 57.345 0.119 0.000 1.285 17 W CB -1.454 28.242 29.460 0.394 0.000 1.133 17 W HN 0.186 nan 8.180 nan 0.000 0.521 18 E N 0.929 121.290 120.200 0.268 0.000 2.077 18 E HA -0.203 4.148 4.350 0.002 0.000 0.193 18 E C 1.803 178.424 176.600 0.034 0.000 0.989 18 E CA 1.932 58.426 56.400 0.157 0.000 0.800 18 E CB -0.223 29.579 29.700 0.169 0.000 0.746 18 E HN 0.254 nan 8.360 nan 0.000 0.452 19 E N 0.033 120.241 120.200 0.014 0.000 2.017 19 E HA -0.141 4.210 4.350 0.002 0.000 0.193 19 E C 1.990 178.505 176.600 -0.141 0.000 0.997 19 E CA 1.090 57.477 56.400 -0.020 0.000 0.804 19 E CB -0.049 29.683 29.700 0.053 0.000 0.757 19 E HN 0.081 nan 8.360 nan 0.000 0.448 20 K N 0.024 120.226 120.400 -0.330 0.000 2.442 20 K HA -0.043 4.278 4.320 0.002 0.000 0.198 20 K C 0.732 176.901 176.600 -0.718 0.000 1.042 20 K CA 0.757 56.675 56.287 -0.615 0.000 0.958 20 K CB -0.256 31.555 32.500 -1.148 0.000 0.766 20 K HN 0.313 nan 8.250 nan 0.000 0.474 21 G N 2.023 110.524 108.800 -0.497 0.000 2.354 21 G HA2 -0.238 3.723 3.960 0.002 0.000 0.278 21 G HA3 -0.238 3.723 3.960 0.002 0.000 0.278 21 G C 0.275 174.933 174.900 -0.402 0.000 0.953 21 G CA -0.029 44.879 45.100 -0.321 0.000 1.346 21 G HN 0.166 nan 8.290 nan 0.000 0.467 22 F N 0.110 119.896 119.950 -0.274 0.000 2.335 22 F HA 0.240 4.768 4.527 0.002 0.000 0.296 22 F C 2.488 178.034 175.800 -0.423 0.000 1.091 22 F CA 0.740 58.445 58.000 -0.491 0.000 1.399 22 F CB -0.030 38.285 39.000 -1.142 0.000 1.067 22 F HN 0.329 nan 8.300 nan 0.000 0.520 23 M N 0.442 119.947 119.600 -0.159 0.000 2.530 23 M HA 0.081 4.562 4.480 0.002 0.000 0.231 23 M C 0.261 176.496 176.300 -0.108 0.000 1.180 23 M CA 0.036 55.259 55.300 -0.128 0.000 0.985 23 M CB -1.230 31.312 32.600 -0.097 0.000 1.623 23 M HN -0.166 nan 8.290 nan 0.000 0.475 24 K N 2.179 122.525 120.400 -0.090 0.000 2.436 24 K HA 0.281 4.602 4.320 0.002 0.000 0.282 24 K C -0.241 176.312 176.600 -0.078 0.000 1.044 24 K CA 0.133 56.375 56.287 -0.074 0.000 1.028 24 K CB 0.419 32.888 32.500 -0.051 0.000 0.919 24 K HN 0.251 nan 8.250 nan 0.000 0.474 25 A N 5.407 128.145 122.820 -0.137 0.000 2.396 25 A HA 0.148 4.469 4.320 0.002 0.000 0.279 25 A C -0.169 177.410 177.584 -0.007 0.000 1.165 25 A CA -0.397 51.530 52.037 -0.182 0.000 0.824 25 A CB -0.041 18.678 19.000 -0.468 0.000 1.100 25 A HN 0.834 nan 8.150 nan 0.000 0.516 26 K N 2.273 122.783 120.400 0.183 0.000 2.489 26 K HA -0.029 4.293 4.320 0.002 0.000 0.278 26 K C 0.133 176.947 176.600 0.356 0.000 1.000 26 K CA -0.161 56.271 56.287 0.242 0.000 1.012 26 K CB 0.379 33.024 32.500 0.242 0.000 0.903 26 K HN 0.756 nan 8.250 nan 0.000 0.485 27 D N 2.613 123.144 120.400 0.219 0.000 2.092 27 D HA -0.145 4.496 4.640 0.002 0.000 0.193 27 D C 0.239 176.717 176.300 0.296 0.000 0.994 27 D CA 1.491 55.630 54.000 0.232 0.000 0.828 27 D CB 0.128 41.007 40.800 0.131 0.000 0.963 27 D HN 0.385 nan 8.370 nan 0.000 0.450 28 L N 1.279 122.584 121.223 0.136 0.000 2.377 28 L HA 0.308 4.649 4.340 0.002 0.000 0.270 28 L C -2.443 174.343 176.870 -0.139 0.000 0.991 28 L CA -1.829 52.996 54.840 -0.025 0.000 0.851 28 L CB 2.380 44.426 42.059 -0.022 0.000 1.218 28 L HN -0.276 nan 8.230 nan 0.000 0.420 29 P HA -0.034 nan 4.420 nan 0.000 0.260 29 P C 0.468 177.624 177.300 -0.240 0.000 1.172 29 P CA 0.282 63.117 63.100 -0.440 0.000 0.760 29 P CB 0.767 31.929 31.700 -0.897 0.000 0.773 30 G N 2.521 111.237 108.800 -0.140 0.000 2.608 30 G HA2 0.256 4.218 3.960 0.002 0.000 0.212 30 G HA3 0.256 4.218 3.960 0.002 0.000 0.212 30 G C 1.052 175.894 174.900 -0.097 0.000 1.572 30 G CA 0.193 45.237 45.100 -0.093 0.000 1.064 30 G HN 0.558 nan 8.290 nan 0.000 0.556 31 G N -1.392 107.367 108.800 -0.069 0.000 3.159 31 G HA2 0.178 4.139 3.960 0.002 0.000 0.232 31 G HA3 0.178 4.139 3.960 0.002 0.000 0.232 31 G C 1.470 176.335 174.900 -0.058 0.000 1.116 31 G CA -0.006 45.056 45.100 -0.062 0.000 0.767 31 G HN 0.395 nan 8.290 nan 0.000 0.547 32 R N 0.784 121.248 120.500 -0.061 0.000 2.307 32 R HA 0.332 4.673 4.340 0.002 0.000 0.199 32 R C 1.193 177.456 176.300 -0.061 0.000 1.000 32 R CA 0.768 56.823 56.100 -0.076 0.000 1.023 32 R CB -0.421 29.832 30.300 -0.079 0.000 0.908 32 R HN 0.488 nan 8.270 nan 0.000 0.473 33 G N 0.156 108.944 108.800 -0.021 0.000 2.603 33 G HA2 -0.028 3.933 3.960 0.002 0.000 0.686 33 G HA3 -0.028 3.933 3.960 0.002 0.000 0.686 33 G C -1.734 173.222 174.900 0.093 0.000 1.286 33 G CA -0.455 44.682 45.100 0.063 0.000 0.871 33 G HN 0.412 nan 8.290 nan 0.000 0.568 34 K N -0.775 119.679 120.400 0.090 0.000 2.546 34 K HA 0.797 5.118 4.320 0.002 0.000 0.264 34 K C -0.921 175.704 176.600 0.041 0.000 0.937 34 K CA -0.901 55.421 56.287 0.058 0.000 0.833 34 K CB 1.838 34.214 32.500 -0.206 0.000 1.378 34 K HN 0.614 nan 8.250 nan 0.000 0.432 35 Q N 1.433 121.296 119.800 0.105 0.000 2.377 35 Q HA 0.372 4.713 4.340 0.002 0.000 0.271 35 Q C -1.487 174.652 176.000 0.231 0.000 1.077 35 Q CA -0.695 55.120 55.803 0.021 0.000 0.820 35 Q CB 2.058 30.684 28.738 -0.186 0.000 1.347 35 Q HN 0.764 nan 8.270 nan 0.000 0.444 36 Y N 1.612 121.949 120.300 0.062 0.000 2.646 36 Y HA 0.339 4.890 4.550 0.002 0.000 0.334 36 Y C -1.188 174.713 175.900 0.002 0.000 1.004 36 Y CA -0.865 57.271 58.100 0.060 0.000 1.301 36 Y CB 0.629 39.163 38.460 0.123 0.000 1.093 36 Y HN 0.268 nan 8.280 nan 0.000 0.530 37 V N 6.946 126.980 119.914 0.200 0.000 2.498 37 V HA 0.413 4.534 4.120 0.002 0.000 0.279 37 V C -0.503 175.766 176.094 0.292 0.000 1.048 37 V CA -0.538 61.855 62.300 0.154 0.000 0.967 37 V CB 1.250 33.038 31.823 -0.059 0.000 0.988 37 V HN 0.593 nan 8.190 nan 0.000 0.473 38 L N 6.394 127.790 121.223 0.288 0.000 2.464 38 L HA 0.749 5.090 4.340 0.002 0.000 0.266 38 L C -0.623 176.329 176.870 0.137 0.000 0.965 38 L CA -0.373 54.646 54.840 0.298 0.000 0.833 38 L CB 2.267 44.604 42.059 0.464 0.000 1.296 38 L HN 0.550 nan 8.230 nan 0.000 0.405 39 V N 2.091 122.011 119.914 0.009 0.000 2.435 39 V HA 0.538 4.659 4.120 0.002 0.000 0.290 39 V C 0.485 176.445 176.094 -0.224 0.000 1.030 39 V CA -0.884 61.281 62.300 -0.225 0.000 0.881 39 V CB 1.428 33.063 31.823 -0.313 0.000 0.983 39 V HN 0.873 nan 8.190 nan 0.000 0.445 40 M N 6.231 125.584 119.600 -0.410 0.000 2.336 40 M HA 0.145 4.626 4.480 0.002 0.000 0.371 40 M C 0.067 176.319 176.300 -0.080 0.000 1.542 40 M CA 0.367 55.532 55.300 -0.226 0.000 0.959 40 M CB -0.356 32.037 32.600 -0.346 0.000 2.033 40 M HN 0.812 nan 8.290 nan 0.000 0.472 41 F N 4.550 124.355 119.950 -0.241 0.000 2.563 41 F HA 0.510 5.038 4.527 0.002 0.000 0.363 41 F C -2.446 173.130 175.800 -0.374 0.000 1.123 41 F CA -3.438 54.336 58.000 -0.378 0.000 1.307 41 F CB -1.294 37.368 39.000 -0.562 0.000 1.115 41 F HN 0.340 nan 8.300 nan 0.000 0.592 42 P HA 0.150 nan 4.420 nan 0.000 0.281 42 P C -1.525 175.690 177.300 -0.142 0.000 1.249 42 P CA -0.238 62.816 63.100 -0.076 0.000 0.810 42 P CB 0.656 32.444 31.700 0.147 0.000 1.008 43 Y N 2.803 123.089 120.300 -0.023 0.000 2.539 43 Y HA 0.171 4.722 4.550 0.002 0.000 0.352 43 Y C -1.286 174.643 175.900 0.048 0.000 1.004 43 Y CA -2.563 55.522 58.100 -0.024 0.000 1.278 43 Y CB -0.324 38.140 38.460 0.007 0.000 1.136 43 Y HN 0.235 nan 8.280 nan 0.000 0.528 44 P HA 0.014 nan 4.420 nan 0.000 0.263 44 P C -0.548 176.841 177.300 0.148 0.000 1.247 44 P CA 0.326 63.496 63.100 0.117 0.000 0.876 44 P CB 0.347 32.060 31.700 0.021 0.000 0.928 45 S N 2.303 118.103 115.700 0.166 0.000 2.769 45 S HA 0.585 5.056 4.470 0.002 0.000 0.150 45 S C -0.154 174.622 174.600 0.293 0.000 1.034 45 S CA -0.032 58.377 58.200 0.349 0.000 1.096 45 S CB -0.058 63.350 63.200 0.347 0.000 1.567 45 S HN 0.811 nan 8.310 nan 0.000 0.435 46 G N 1.320 110.211 108.800 0.152 0.000 2.353 46 G HA2 0.264 4.225 3.960 0.002 0.000 0.615 46 G HA3 0.264 4.225 3.960 0.002 0.000 0.615 46 G C -2.117 172.787 174.900 0.007 0.000 1.280 46 G CA -0.580 44.593 45.100 0.122 0.000 1.000 46 G HN 0.609 nan 8.290 nan 0.000 0.516 47 D N -0.157 120.251 120.400 0.013 0.000 2.256 47 D HA 0.633 5.274 4.640 0.002 0.000 0.246 47 D C 0.933 177.282 176.300 0.082 0.000 1.042 47 D CA -0.467 53.529 54.000 -0.007 0.000 0.841 47 D CB 1.365 42.130 40.800 -0.058 0.000 1.223 47 D HN 0.531 nan 8.370 nan 0.000 0.470 48 L N 3.350 124.653 121.223 0.134 0.000 2.467 48 L HA 0.267 4.608 4.340 0.002 0.000 0.270 48 L C 0.550 177.515 176.870 0.158 0.000 1.205 48 L CA 0.068 55.054 54.840 0.243 0.000 0.828 48 L CB 0.246 42.393 42.059 0.146 0.000 1.101 48 L HN 0.568 nan 8.230 nan 0.000 0.479 49 H N -0.617 118.325 119.070 -0.213 0.000 2.966 49 H HA 0.350 4.907 4.556 0.002 0.000 0.330 49 H C 0.339 175.501 175.328 -0.276 0.000 1.292 49 H CA -1.138 54.751 56.048 -0.265 0.000 1.127 49 H CB 0.735 30.305 29.762 -0.319 0.000 1.863 49 H HN 0.257 nan 8.280 nan 0.000 0.543 50 M N 0.862 120.213 119.600 -0.415 0.000 2.192 50 M HA -0.134 4.347 4.480 0.002 0.000 0.259 50 M C 2.274 178.331 176.300 -0.406 0.000 1.071 50 M CA 1.951 56.933 55.300 -0.530 0.000 1.082 50 M CB -1.615 30.314 32.600 -1.119 0.000 1.373 50 M HN 0.997 nan 8.290 nan 0.000 0.408 51 G N -1.134 107.272 108.800 -0.656 0.000 2.442 51 G HA2 -0.222 3.739 3.960 0.002 0.000 0.219 51 G HA3 -0.222 3.739 3.960 0.002 0.000 0.219 51 G C 1.391 176.154 174.900 -0.227 0.000 1.141 51 G CA 1.037 45.837 45.100 -0.500 0.000 0.763 51 G HN 0.597 nan 8.290 nan 0.000 0.554 52 H N -0.782 118.051 119.070 -0.396 0.000 2.355 52 H HA 0.195 4.752 4.556 0.002 0.000 0.303 52 H C 2.432 177.864 175.328 0.173 0.000 1.061 52 H CA -0.074 55.954 56.048 -0.034 0.000 1.368 52 H CB 0.102 29.881 29.762 0.028 0.000 1.412 52 H HN 0.064 nan 8.280 nan 0.000 0.523 53 L N 1.810 123.151 121.223 0.197 0.000 2.349 53 L HA -0.197 4.144 4.340 0.002 0.000 0.220 53 L C 2.300 179.312 176.870 0.236 0.000 1.130 53 L CA 1.328 56.311 54.840 0.238 0.000 0.791 53 L CB -0.731 41.380 42.059 0.087 0.000 0.918 53 L HN 0.343 nan 8.230 nan 0.000 0.444 54 K N 0.727 121.220 120.400 0.155 0.000 2.000 54 K HA -0.238 4.083 4.320 0.002 0.000 0.218 54 K C 1.719 178.374 176.600 0.090 0.000 1.053 54 K CA 2.086 58.443 56.287 0.116 0.000 0.946 54 K CB -0.024 32.534 32.500 0.097 0.000 0.723 54 K HN 0.453 nan 8.250 nan 0.000 0.446 55 N N -0.691 118.040 118.700 0.051 0.000 1.997 55 N HA -0.225 4.516 4.740 0.002 0.000 0.198 55 N C 1.909 177.378 175.510 -0.068 0.000 1.070 55 N CA 2.081 55.075 53.050 -0.094 0.000 0.864 55 N CB -0.566 37.715 38.487 -0.342 0.000 1.066 55 N HN 0.215 nan 8.380 nan 0.000 0.425 56 Y N 1.448 121.783 120.300 0.058 0.000 2.215 56 Y HA -0.247 4.304 4.550 0.002 0.000 0.282 56 Y C 2.799 178.725 175.900 0.044 0.000 1.207 56 Y CA 1.268 59.433 58.100 0.108 0.000 1.196 56 Y CB -1.481 37.073 38.460 0.157 0.000 0.969 56 Y HN 0.171 nan 8.280 nan 0.000 0.528 57 T N 0.346 114.987 114.554 0.145 0.000 2.643 57 T HA -0.216 4.135 4.350 0.002 0.000 0.264 57 T C 1.986 176.582 174.700 -0.174 0.000 1.045 57 T CA 1.728 63.823 62.100 -0.009 0.000 1.155 57 T CB -0.365 68.494 68.868 -0.014 0.000 0.863 57 T HN 0.212 nan 8.240 nan 0.000 0.420 58 M N 1.147 120.624 119.600 -0.205 0.000 2.352 58 M HA -0.146 4.335 4.480 0.002 0.000 0.260 58 M C 2.836 178.973 176.300 -0.271 0.000 1.068 58 M CA 2.257 57.339 55.300 -0.364 0.000 1.082 58 M CB -1.883 30.653 32.600 -0.108 0.000 1.262 58 M HN 0.460 nan 8.290 nan 0.000 0.444 59 G N -0.024 108.715 108.800 -0.101 0.000 2.597 59 G HA2 -0.348 3.613 3.960 0.002 0.000 0.222 59 G HA3 -0.348 3.613 3.960 0.002 0.000 0.222 59 G C 1.122 175.805 174.900 -0.362 0.000 1.135 59 G CA 2.073 47.130 45.100 -0.072 0.000 0.759 59 G HN 0.589 nan 8.290 nan 0.000 0.595 60 D N -0.562 119.695 120.400 -0.238 0.000 2.084 60 D HA -0.092 4.549 4.640 0.002 0.000 0.194 60 D C 2.703 178.731 176.300 -0.454 0.000 0.990 60 D CA 1.259 55.048 54.000 -0.351 0.000 0.826 60 D CB -0.160 40.513 40.800 -0.212 0.000 0.971 60 D HN 0.140 nan 8.370 nan 0.000 0.453 61 V N 0.849 120.465 119.914 -0.497 0.000 2.220 61 V HA -0.300 3.821 4.120 0.002 0.000 0.250 61 V C 2.668 178.505 176.094 -0.430 0.000 1.056 61 V CA 1.982 63.912 62.300 -0.618 0.000 1.016 61 V CB -0.823 30.440 31.823 -0.934 0.000 0.639 61 V HN 0.370 nan 8.190 nan 0.000 0.446 62 L N -0.403 120.648 121.223 -0.287 0.000 2.043 62 L HA -0.254 4.087 4.340 0.002 0.000 0.212 62 L C 2.530 179.293 176.870 -0.179 0.000 1.075 62 L CA 1.957 56.731 54.840 -0.109 0.000 0.752 62 L CB -0.517 41.506 42.059 -0.059 0.000 0.891 62 L HN 0.413 nan 8.230 nan 0.000 0.432 63 A N -0.334 122.273 122.820 -0.354 0.000 1.898 63 A HA -0.221 4.100 4.320 0.002 0.000 0.216 63 A C 2.259 179.701 177.584 -0.237 0.000 1.181 63 A CA 1.605 53.411 52.037 -0.384 0.000 0.620 63 A CB -0.453 18.083 19.000 -0.774 0.000 0.819 63 A HN 0.420 nan 8.150 nan 0.000 0.442 64 R N -1.868 118.468 120.500 -0.272 0.000 2.075 64 R HA -0.065 4.276 4.340 0.002 0.000 0.232 64 R C 1.989 178.218 176.300 -0.117 0.000 1.126 64 R CA 1.437 57.409 56.100 -0.213 0.000 0.963 64 R CB -0.529 29.444 30.300 -0.545 0.000 0.858 64 R HN 0.566 nan 8.270 nan 0.000 0.435 65 F N 2.176 121.919 119.950 -0.345 0.000 2.011 65 F HA -0.272 4.256 4.527 0.002 0.000 0.296 65 F C 2.200 177.835 175.800 -0.274 0.000 1.144 65 F CA 1.624 59.389 58.000 -0.392 0.000 1.185 65 F CB -0.273 38.423 39.000 -0.507 0.000 0.961 65 F HN -0.197 nan 8.300 nan 0.000 0.485 66 R N 0.471 120.705 120.500 -0.443 0.000 2.112 66 R HA -0.243 4.098 4.340 0.002 0.000 0.242 66 R C 2.289 178.504 176.300 -0.140 0.000 1.137 66 R CA 1.891 57.774 56.100 -0.362 0.000 0.944 66 R CB -1.391 28.781 30.300 -0.214 0.000 0.857 66 R HN 0.272 nan 8.270 nan 0.000 0.435 67 R N 0.845 121.304 120.500 -0.068 0.000 2.117 67 R HA -0.044 4.297 4.340 0.002 0.000 0.243 67 R C 2.323 178.629 176.300 0.011 0.000 1.143 67 R CA 1.725 57.837 56.100 0.020 0.000 0.968 67 R CB -0.518 29.840 30.300 0.098 0.000 0.863 67 R HN 0.268 nan 8.270 nan 0.000 0.444 68 M N -0.288 119.295 119.600 -0.029 0.000 2.159 68 M HA -0.187 4.294 4.480 0.002 0.000 0.263 68 M C 2.214 178.466 176.300 -0.080 0.000 1.063 68 M CA 1.792 57.081 55.300 -0.018 0.000 1.110 68 M CB -0.158 32.491 32.600 0.082 0.000 1.374 68 M HN 0.285 nan 8.290 nan 0.000 0.411 69 Q N -1.001 118.652 119.800 -0.245 0.000 2.119 69 Q HA -0.083 4.258 4.340 0.002 0.000 0.201 69 Q C 1.554 177.377 176.000 -0.295 0.000 0.972 69 Q CA 1.360 56.981 55.803 -0.303 0.000 0.847 69 Q CB 0.162 28.579 28.738 -0.536 0.000 0.903 69 Q HN 0.770 nan 8.270 nan 0.000 0.433 70 G N -1.474 107.176 108.800 -0.250 0.000 2.901 70 G HA2 -0.182 3.779 3.960 0.002 0.000 0.194 70 G HA3 -0.182 3.779 3.960 0.002 0.000 0.194 70 G C -0.393 174.408 174.900 -0.166 0.000 1.020 70 G CA -0.503 44.469 45.100 -0.212 0.000 0.787 70 G HN 0.176 nan 8.290 nan 0.000 0.477 71 Y N 1.617 121.845 120.300 -0.119 0.000 2.890 71 Y HA 0.338 4.889 4.550 0.002 0.000 0.341 71 Y C 1.019 176.900 175.900 -0.033 0.000 1.269 71 Y CA 0.686 58.734 58.100 -0.087 0.000 1.517 71 Y CB 0.378 38.771 38.460 -0.111 0.000 1.314 71 Y HN 0.185 nan 8.280 nan 0.000 0.622 72 E N 1.776 122.084 120.200 0.179 0.000 2.105 72 E HA 0.346 4.697 4.350 0.002 0.000 0.285 72 E C -1.262 175.530 176.600 0.320 0.000 1.055 72 E CA -0.196 56.321 56.400 0.193 0.000 0.843 72 E CB 0.347 30.128 29.700 0.135 0.000 1.067 72 E HN 0.373 nan 8.360 nan 0.000 0.398 73 V N 4.762 124.797 119.914 0.202 0.000 2.617 73 V HA 0.393 4.514 4.120 0.002 0.000 0.298 73 V C -0.560 175.477 176.094 -0.094 0.000 1.048 73 V CA -0.968 61.390 62.300 0.096 0.000 0.964 73 V CB 1.431 33.248 31.823 -0.010 0.000 1.004 73 V HN 0.524 nan 8.190 nan 0.000 0.466 74 L N 3.637 124.668 121.223 -0.320 0.000 2.427 74 L HA 0.486 4.827 4.340 0.002 0.000 0.264 74 L C -0.699 175.872 176.870 -0.499 0.000 0.989 74 L CA -0.045 54.366 54.840 -0.715 0.000 0.865 74 L CB 0.954 42.055 42.059 -1.597 0.000 1.209 74 L HN 0.801 nan 8.230 nan 0.000 0.430 75 H N 6.468 125.275 119.070 -0.438 0.000 2.632 75 H HA 0.496 5.053 4.556 0.002 0.000 0.258 75 H C -2.672 172.440 175.328 -0.360 0.000 1.278 75 H CA -2.146 53.733 56.048 -0.281 0.000 1.352 75 H CB 1.298 30.979 29.762 -0.134 0.000 1.418 75 H HN 0.537 nan 8.280 nan 0.000 0.513 76 P HA 0.238 nan 4.420 nan 0.000 0.280 76 P C -0.738 175.734 177.300 -1.379 0.000 1.272 76 P CA -0.837 61.595 63.100 -1.113 0.000 0.819 76 P CB 2.196 32.988 31.700 -1.513 0.000 1.122 77 M N 0.115 118.810 119.600 -1.509 0.000 2.373 77 M HA 0.647 5.128 4.480 0.002 0.000 0.290 77 M C -1.319 174.470 176.300 -0.851 0.000 1.143 77 M CA -0.041 54.454 55.300 -1.341 0.000 0.949 77 M CB 1.434 32.725 32.600 -2.181 0.000 1.756 77 M HN 0.669 nan 8.290 nan 0.000 0.494 78 G N 1.770 110.169 108.800 -0.668 0.000 2.706 78 G HA2 0.750 4.711 3.960 0.002 0.000 0.307 78 G HA3 0.750 4.711 3.960 0.002 0.000 0.307 78 G C -2.514 171.573 174.900 -1.355 0.000 1.307 78 G CA -0.641 44.019 45.100 -0.734 0.000 0.790 78 G HN 0.702 nan 8.290 nan 0.000 0.503 79 W N -0.114 121.050 121.300 -0.227 0.000 2.739 79 W HA 0.508 5.169 4.660 0.002 0.000 0.331 79 W C -0.858 175.169 176.519 -0.820 0.000 1.049 79 W CA -0.785 56.293 57.345 -0.446 0.000 1.234 79 W CB 1.990 31.297 29.460 -0.255 0.000 1.404 79 W HN 0.353 nan 8.180 nan 0.000 0.477 80 D N 2.276 122.071 120.400 -1.008 0.000 2.713 80 D HA 0.267 4.909 4.640 0.002 0.000 0.229 80 D C 1.205 177.388 176.300 -0.195 0.000 1.136 80 D CA 0.199 53.602 54.000 -0.996 0.000 1.010 80 D CB 0.449 40.562 40.800 -1.145 0.000 1.084 80 D HN 0.436 nan 8.370 nan 0.000 0.495 81 A N 2.856 125.595 122.820 -0.135 0.000 1.841 81 A HA -0.098 4.223 4.320 0.002 0.000 0.214 81 A C 1.056 178.674 177.584 0.057 0.000 1.195 81 A CA 0.619 52.668 52.037 0.020 0.000 0.611 81 A CB -0.503 18.483 19.000 -0.023 0.000 0.835 81 A HN 0.392 nan 8.150 nan 0.000 0.443 82 F N -0.758 119.082 119.950 -0.184 0.000 2.527 82 F HA 0.397 4.925 4.527 0.002 0.000 0.316 82 F C 1.512 177.229 175.800 -0.138 0.000 1.258 82 F CA 0.726 58.482 58.000 -0.407 0.000 1.314 82 F CB -0.479 38.256 39.000 -0.440 0.000 1.200 82 F HN 0.789 nan 8.300 nan 0.000 0.577 83 G N 0.195 109.105 108.800 0.184 0.000 2.728 83 G HA2 -0.195 3.766 3.960 0.002 0.000 0.294 83 G HA3 -0.195 3.766 3.960 0.002 0.000 0.294 83 G C 0.389 175.376 174.900 0.146 0.000 1.342 83 G CA -0.372 44.794 45.100 0.110 0.000 0.866 83 G HN 0.684 nan 8.290 nan 0.000 0.534 84 L N 0.669 121.935 121.223 0.070 0.000 1.994 84 L HA -0.045 4.296 4.340 0.002 0.000 0.208 84 L C 0.366 177.195 176.870 -0.068 0.000 1.071 84 L CA 2.211 57.072 54.840 0.034 0.000 0.745 84 L CB -1.646 40.441 42.059 0.046 0.000 0.892 84 L HN 0.445 nan 8.230 nan 0.000 0.431 85 P HA -0.325 nan 4.420 nan 0.000 0.219 85 P C 1.507 178.755 177.300 -0.087 0.000 1.159 85 P CA 2.514 65.385 63.100 -0.382 0.000 0.944 85 P CB -0.049 31.080 31.700 -0.952 0.000 0.792 86 A N -0.856 122.006 122.820 0.069 0.000 1.841 86 A HA -0.248 4.073 4.320 0.002 0.000 0.214 86 A C 2.358 180.018 177.584 0.126 0.000 1.195 86 A CA 2.016 54.206 52.037 0.254 0.000 0.611 86 A CB -1.523 17.725 19.000 0.413 0.000 0.835 86 A HN 0.218 nan 8.150 nan 0.000 0.443 87 E N -0.101 120.196 120.200 0.162 0.000 2.086 87 E HA -0.294 4.057 4.350 0.002 0.000 0.200 87 E C 1.781 178.341 176.600 -0.066 0.000 1.012 87 E CA 1.790 58.209 56.400 0.033 0.000 0.812 87 E CB -0.227 29.578 29.700 0.177 0.000 0.743 87 E HN 0.615 nan 8.360 nan 0.000 0.453 88 N N -0.306 118.367 118.700 -0.044 0.000 2.272 88 N HA -0.153 4.588 4.740 0.002 0.000 0.185 88 N C 1.268 176.687 175.510 -0.152 0.000 1.014 88 N CA 1.274 54.279 53.050 -0.075 0.000 0.870 88 N CB -0.144 38.307 38.487 -0.060 0.000 0.975 88 N HN 0.299 nan 8.380 nan 0.000 0.433 89 A N 0.349 123.055 122.820 -0.190 0.000 1.861 89 A HA 0.277 4.598 4.320 0.002 0.000 0.212 89 A C 2.190 179.357 177.584 -0.696 0.000 1.199 89 A CA 1.208 53.054 52.037 -0.319 0.000 0.613 89 A CB -0.988 17.951 19.000 -0.102 0.000 0.846 89 A HN 0.244 nan 8.150 nan 0.000 0.446 90 A N -0.898 121.368 122.820 -0.924 0.000 2.076 90 A HA 0.000 4.321 4.320 0.002 0.000 0.220 90 A C 1.805 179.137 177.584 -0.419 0.000 1.160 90 A CA 1.550 53.056 52.037 -0.886 0.000 0.653 90 A CB -0.408 18.248 19.000 -0.574 0.000 0.801 90 A HN 0.377 nan 8.150 nan 0.000 0.455 91 L N -1.218 119.816 121.223 -0.316 0.000 2.446 91 L HA 0.146 4.487 4.340 0.002 0.000 0.219 91 L C 2.044 178.774 176.870 -0.234 0.000 1.116 91 L CA 1.472 56.188 54.840 -0.207 0.000 0.844 91 L CB -0.259 41.717 42.059 -0.138 0.000 0.970 91 L HN 0.393 nan 8.230 nan 0.000 0.457 92 K N -1.333 118.867 120.400 -0.334 0.000 2.426 92 K HA 0.064 4.385 4.320 0.002 0.000 0.193 92 K C 0.649 176.827 176.600 -0.703 0.000 1.028 92 K CA 0.539 56.540 56.287 -0.477 0.000 1.047 92 K CB 0.233 32.408 32.500 -0.541 0.000 0.821 92 K HN 0.189 nan 8.250 nan 0.000 0.513 93 F N -0.494 119.287 119.950 -0.280 0.000 2.772 93 F HA 0.279 4.807 4.527 0.002 0.000 0.316 93 F C 0.812 176.517 175.800 -0.158 0.000 1.114 93 F CA -0.173 57.699 58.000 -0.213 0.000 1.191 93 F CB 1.501 40.343 39.000 -0.262 0.000 1.065 93 F HN 0.054 nan 8.300 nan 0.000 0.534 94 G N 1.975 110.747 108.800 -0.048 0.000 2.356 94 G HA2 -0.232 3.729 3.960 0.002 0.000 0.296 94 G HA3 -0.232 3.729 3.960 0.002 0.000 0.296 94 G C -0.307 174.587 174.900 -0.011 0.000 1.022 94 G CA 0.440 45.518 45.100 -0.037 0.000 0.961 94 G HN 0.221 nan 8.290 nan 0.000 0.510 95 V N -0.912 118.985 119.914 -0.030 0.000 2.815 95 V HA 0.603 4.724 4.120 0.002 0.000 0.314 95 V C 0.397 176.485 176.094 -0.010 0.000 1.064 95 V CA -1.428 60.878 62.300 0.011 0.000 0.952 95 V CB 1.950 33.817 31.823 0.073 0.000 1.020 95 V HN 0.521 nan 8.190 nan 0.000 0.439 96 H N 5.867 124.885 119.070 -0.086 0.000 2.722 96 H HA 0.267 4.824 4.556 0.002 0.000 0.328 96 H C -1.574 173.635 175.328 -0.198 0.000 1.067 96 H CA -1.477 54.478 56.048 -0.155 0.000 1.447 96 H CB 1.527 31.204 29.762 -0.143 0.000 1.469 96 H HN 0.336 nan 8.280 nan 0.000 0.544 97 P HA -0.268 nan 4.420 nan 0.000 0.215 97 P C 1.197 177.989 177.300 -0.846 0.000 1.157 97 P CA 1.754 64.277 63.100 -0.961 0.000 0.874 97 P CB 0.299 30.887 31.700 -1.853 0.000 0.790 98 K N -0.369 119.301 120.400 -1.218 0.000 2.211 98 K HA -0.166 4.155 4.320 0.002 0.000 0.204 98 K C 1.598 177.985 176.600 -0.354 0.000 1.047 98 K CA 1.711 57.655 56.287 -0.573 0.000 0.935 98 K CB -0.261 32.036 32.500 -0.338 0.000 0.728 98 K HN 0.044 nan 8.250 nan 0.000 0.452 99 D N -0.459 119.814 120.400 -0.213 0.000 2.259 99 D HA -0.134 4.507 4.640 0.002 0.000 0.216 99 D C 1.551 177.843 176.300 -0.013 0.000 0.961 99 D CA 0.493 54.451 54.000 -0.069 0.000 0.878 99 D CB -0.371 40.443 40.800 0.024 0.000 1.009 99 D HN 0.421 nan 8.370 nan 0.000 0.490 100 W N 2.419 123.616 121.300 -0.172 0.000 2.374 100 W HA -0.154 4.507 4.660 0.002 0.000 0.288 100 W C 1.270 177.731 176.519 -0.097 0.000 1.218 100 W CA 1.197 58.461 57.345 -0.135 0.000 1.245 100 W CB -0.107 29.265 29.460 -0.146 0.000 1.126 100 W HN -0.121 nan 8.180 nan 0.000 0.545 101 T N 0.402 114.899 114.554 -0.094 0.000 2.671 101 T HA -0.196 4.155 4.350 0.002 0.000 0.250 101 T C 1.535 176.176 174.700 -0.098 0.000 1.068 101 T CA 1.905 63.948 62.100 -0.094 0.000 1.177 101 T CB -1.200 67.779 68.868 0.184 0.000 0.876 101 T HN 0.145 nan 8.240 nan 0.000 0.405 102 Y N 1.264 121.429 120.300 -0.225 0.000 2.332 102 Y HA -0.234 4.317 4.550 0.002 0.000 0.283 102 Y C 2.615 178.327 175.900 -0.314 0.000 1.186 102 Y CA 0.311 58.262 58.100 -0.248 0.000 1.266 102 Y CB -0.232 38.139 38.460 -0.149 0.000 0.973 102 Y HN 0.261 nan 8.280 nan 0.000 0.548 103 A N 0.235 122.949 122.820 -0.176 0.000 1.855 103 A HA -0.174 4.147 4.320 0.002 0.000 0.213 103 A C 1.867 179.200 177.584 -0.419 0.000 1.195 103 A CA 1.586 53.458 52.037 -0.274 0.000 0.610 103 A CB -0.801 18.038 19.000 -0.268 0.000 0.837 103 A HN 0.412 nan 8.150 nan 0.000 0.444 104 N N -0.027 118.318 118.700 -0.591 0.000 2.205 104 N HA -0.104 4.638 4.740 0.002 0.000 0.186 104 N C 1.474 176.653 175.510 -0.552 0.000 1.015 104 N CA 1.490 54.164 53.050 -0.627 0.000 0.862 104 N CB -0.341 37.676 38.487 -0.782 0.000 0.986 104 N HN 0.556 nan 8.380 nan 0.000 0.429 105 I N -0.147 120.026 120.570 -0.662 0.000 2.202 105 I HA -0.234 3.937 4.170 0.002 0.000 0.242 105 I C 2.509 178.145 176.117 -0.801 0.000 1.091 105 I CA 0.755 61.415 61.300 -1.066 0.000 1.368 105 I CB -0.260 37.004 38.000 -1.227 0.000 1.058 105 I HN 0.189 nan 8.210 nan 0.000 0.410 106 R N 1.165 121.346 120.500 -0.532 0.000 2.080 106 R HA -0.245 4.096 4.340 0.002 0.000 0.236 106 R C 2.318 178.434 176.300 -0.306 0.000 1.137 106 R CA 1.961 57.837 56.100 -0.373 0.000 0.943 106 R CB -0.211 29.928 30.300 -0.269 0.000 0.846 106 R HN 0.428 nan 8.270 nan 0.000 0.431 107 Q N -0.236 119.388 119.800 -0.293 0.000 2.096 107 Q HA -0.163 4.178 4.340 0.002 0.000 0.204 107 Q C 2.180 178.073 176.000 -0.177 0.000 0.982 107 Q CA 1.738 57.413 55.803 -0.213 0.000 0.850 107 Q CB -0.209 28.397 28.738 -0.221 0.000 0.901 107 Q HN 0.457 nan 8.270 nan 0.000 0.422 108 A N 1.921 124.597 122.820 -0.239 0.000 1.835 108 A HA -0.245 4.076 4.320 0.002 0.000 0.215 108 A C 1.968 179.546 177.584 -0.009 0.000 1.199 108 A CA 1.777 53.745 52.037 -0.114 0.000 0.615 108 A CB -0.501 18.401 19.000 -0.162 0.000 0.838 108 A HN 0.214 nan 8.150 nan 0.000 0.444 109 K N -0.405 119.948 120.400 -0.078 0.000 2.173 109 K HA -0.228 4.093 4.320 0.002 0.000 0.207 109 K C 2.079 178.656 176.600 -0.037 0.000 1.046 109 K CA 1.622 57.897 56.287 -0.020 0.000 0.929 109 K CB -0.160 32.158 32.500 -0.303 0.000 0.720 109 K HN 0.694 nan 8.250 nan 0.000 0.453 110 E N 0.566 120.718 120.200 -0.079 0.000 2.051 110 E HA -0.161 4.190 4.350 0.002 0.000 0.192 110 E C 1.868 178.475 176.600 0.012 0.000 0.991 110 E CA 1.377 57.749 56.400 -0.047 0.000 0.799 110 E CB 0.159 29.817 29.700 -0.069 0.000 0.748 110 E HN 0.206 nan 8.360 nan 0.000 0.449 111 S N 1.265 116.974 115.700 0.016 0.000 2.354 111 S HA -0.179 4.292 4.470 0.002 0.000 0.219 111 S C 2.106 176.754 174.600 0.080 0.000 1.035 111 S CA 1.235 59.461 58.200 0.043 0.000 1.037 111 S CB -0.524 62.691 63.200 0.025 0.000 0.956 111 S HN 0.265 nan 8.310 nan 0.000 0.428 112 L N 1.186 122.468 121.223 0.099 0.000 2.021 112 L HA -0.240 4.101 4.340 0.002 0.000 0.215 112 L C 2.784 179.766 176.870 0.187 0.000 1.074 112 L CA 1.856 56.792 54.840 0.160 0.000 0.760 112 L CB -0.652 41.598 42.059 0.317 0.000 0.889 112 L HN 0.301 nan 8.230 nan 0.000 0.433 113 R N 0.621 121.229 120.500 0.179 0.000 2.081 113 R HA -0.161 4.180 4.340 0.002 0.000 0.235 113 R C 2.379 178.790 176.300 0.184 0.000 1.131 113 R CA 1.332 57.541 56.100 0.182 0.000 0.960 113 R CB -0.205 30.158 30.300 0.105 0.000 0.856 113 R HN 0.326 nan 8.270 nan 0.000 0.436 114 L N 0.091 121.397 121.223 0.138 0.000 2.083 114 L HA -0.159 4.182 4.340 0.002 0.000 0.209 114 L C 2.217 179.200 176.870 0.188 0.000 1.083 114 L CA 0.855 55.774 54.840 0.133 0.000 0.752 114 L CB -0.259 41.859 42.059 0.098 0.000 0.899 114 L HN 0.292 nan 8.230 nan 0.000 0.433 115 M N -0.209 119.509 119.600 0.197 0.000 2.686 115 M HA 0.053 4.534 4.480 0.002 0.000 0.246 115 M C 1.384 177.865 176.300 0.301 0.000 1.096 115 M CA 0.802 56.239 55.300 0.227 0.000 1.076 115 M CB -1.245 31.453 32.600 0.162 0.000 1.504 115 M HN 0.425 nan 8.290 nan 0.000 0.524 116 G N 1.843 110.871 108.800 0.381 0.000 2.221 116 G HA2 -0.253 3.708 3.960 0.002 0.000 0.265 116 G HA3 -0.253 3.708 3.960 0.002 0.000 0.265 116 G C 0.092 175.104 174.900 0.187 0.000 1.041 116 G CA -0.069 45.319 45.100 0.481 0.000 0.807 116 G HN 0.499 nan 8.290 nan 0.000 0.502 117 I N 0.016 120.659 120.570 0.122 0.000 2.331 117 I HA 0.471 4.642 4.170 0.002 0.000 0.292 117 I C 0.501 176.551 176.117 -0.111 0.000 0.998 117 I CA -0.850 60.411 61.300 -0.065 0.000 1.267 117 I CB 1.141 39.088 38.000 -0.088 0.000 1.386 117 I HN -0.021 nan 8.210 nan 0.000 0.476 118 L N 7.201 128.295 121.223 -0.214 0.000 2.334 118 L HA 0.536 4.877 4.340 0.002 0.000 0.272 118 L C -0.851 175.747 176.870 -0.453 0.000 1.020 118 L CA -0.199 54.559 54.840 -0.136 0.000 0.812 118 L CB 1.151 43.215 42.059 0.008 0.000 1.264 118 L HN 0.337 nan 8.230 nan 0.000 0.439 119 Y N -1.073 119.143 120.300 -0.140 0.000 2.829 119 Y HA 0.305 4.856 4.550 0.002 0.000 0.322 119 Y C -0.817 174.788 175.900 -0.492 0.000 1.357 119 Y CA -1.590 56.172 58.100 -0.562 0.000 1.081 119 Y CB 1.092 38.803 38.460 -1.248 0.000 1.339 119 Y HN 0.478 nan 8.280 nan 0.000 0.469 120 D N -0.220 119.945 120.400 -0.391 0.000 2.514 120 D HA 0.192 4.833 4.640 0.002 0.000 0.267 120 D C -0.401 175.726 176.300 -0.289 0.000 1.165 120 D CA -0.329 53.513 54.000 -0.264 0.000 0.958 120 D CB -0.030 40.601 40.800 -0.281 0.000 0.992 120 D HN 0.443 nan 8.370 nan 0.000 0.506 121 W N 1.324 122.614 121.300 -0.017 0.000 2.632 121 W HA -0.017 4.644 4.660 0.002 0.000 0.248 121 W C 1.395 177.923 176.519 0.015 0.000 1.259 121 W CA -0.076 57.268 57.345 -0.001 0.000 1.288 121 W CB 0.174 29.666 29.460 0.055 0.000 1.136 121 W HN 0.356 nan 8.180 nan 0.000 0.640 122 D N -0.159 120.336 120.400 0.158 0.000 2.378 122 D HA -0.043 4.598 4.640 0.002 0.000 0.227 122 D C 1.535 177.879 176.300 0.074 0.000 1.012 122 D CA 0.861 54.954 54.000 0.156 0.000 0.905 122 D CB 0.035 40.901 40.800 0.110 0.000 0.895 122 D HN 0.350 nan 8.370 nan 0.000 0.532 123 R N 0.391 120.874 120.500 -0.028 0.000 2.476 123 R HA 0.100 4.441 4.340 0.002 0.000 0.276 123 R C 0.516 176.835 176.300 0.032 0.000 0.941 123 R CA -0.283 55.759 56.100 -0.097 0.000 1.088 123 R CB 0.859 31.031 30.300 -0.213 0.000 1.216 123 R HN 0.114 nan 8.270 nan 0.000 0.533 124 E N 2.190 122.447 120.200 0.095 0.000 2.568 124 E HA -0.012 4.339 4.350 0.002 0.000 0.262 124 E C -0.600 176.129 176.600 0.216 0.000 0.961 124 E CA 0.144 56.653 56.400 0.180 0.000 0.945 124 E CB 0.707 30.648 29.700 0.402 0.000 0.924 124 E HN -0.004 nan 8.360 nan 0.000 0.467 125 V N 1.585 121.610 119.914 0.184 0.000 2.656 125 V HA 0.581 4.702 4.120 0.002 0.000 0.307 125 V C -0.623 175.462 176.094 -0.015 0.000 1.051 125 V CA -0.649 61.709 62.300 0.097 0.000 0.893 125 V CB 2.053 33.883 31.823 0.012 0.000 0.999 125 V HN 0.634 nan 8.190 nan 0.000 0.426 126 T N 2.045 116.582 114.554 -0.027 0.000 2.842 126 T HA 0.315 4.666 4.350 0.002 0.000 0.308 126 T C 1.376 175.934 174.700 -0.236 0.000 1.041 126 T CA 0.246 62.313 62.100 -0.055 0.000 0.964 126 T CB 0.827 69.715 68.868 0.033 0.000 0.972 126 T HN 1.133 nan 8.240 nan 0.000 0.460 127 T N -0.770 113.509 114.554 -0.458 0.000 2.685 127 T HA -0.268 4.083 4.350 0.002 0.000 0.268 127 T C 2.318 177.027 174.700 0.014 0.000 1.034 127 T CA 1.841 63.647 62.100 -0.490 0.000 1.149 127 T CB -1.204 67.488 68.868 -0.294 0.000 0.860 127 T HN 0.884 nan 8.240 nan 0.000 0.449 128 C N 1.515 120.652 119.300 -0.272 0.000 2.485 128 C HA 0.279 4.740 4.460 0.002 0.000 0.283 128 C C 0.941 175.837 174.990 -0.156 0.000 1.478 128 C CA -1.267 57.203 59.018 -0.914 0.000 1.741 128 C CB -1.716 25.077 27.740 -1.578 0.000 1.675 128 C HN 0.528 nan 8.230 nan 0.000 0.573 129 E N 1.832 122.123 120.200 0.151 0.000 2.301 129 E HA 0.189 4.541 4.350 0.002 0.000 0.275 129 E C -1.577 175.007 176.600 -0.027 0.000 1.030 129 E CA -1.611 54.903 56.400 0.191 0.000 0.852 129 E CB 1.105 30.902 29.700 0.161 0.000 1.060 129 E HN 0.121 nan 8.360 nan 0.000 0.401 130 P HA -0.191 nan 4.420 nan 0.000 0.216 130 P C 0.555 177.513 177.300 -0.570 0.000 1.153 130 P CA 1.177 63.672 63.100 -1.007 0.000 0.858 130 P CB 0.262 31.746 31.700 -0.361 0.000 0.789 131 E N -2.818 117.274 120.200 -0.180 0.000 2.393 131 E HA -0.197 4.154 4.350 0.002 0.000 0.201 131 E C 1.485 178.171 176.600 0.143 0.000 1.025 131 E CA 1.023 57.415 56.400 -0.014 0.000 0.856 131 E CB -0.556 29.211 29.700 0.111 0.000 0.771 131 E HN 0.442 nan 8.360 nan 0.000 0.526 132 Y N -1.471 118.830 120.300 0.003 0.000 2.740 132 Y HA -0.012 4.539 4.550 0.002 0.000 0.257 132 Y C 1.687 177.768 175.900 0.302 0.000 1.064 132 Y CA 0.265 58.521 58.100 0.260 0.000 1.351 132 Y CB -0.543 38.059 38.460 0.237 0.000 1.439 132 Y HN 0.114 nan 8.280 nan 0.000 0.488 133 Y N 1.920 122.543 120.300 0.539 0.000 2.556 133 Y HA -0.134 4.417 4.550 0.002 0.000 0.290 133 Y C 2.166 178.145 175.900 0.132 0.000 1.149 133 Y CA 1.018 59.343 58.100 0.376 0.000 1.329 133 Y CB -0.913 37.761 38.460 0.355 0.000 0.975 133 Y HN 0.194 nan 8.280 nan 0.000 0.561 134 R N 0.142 120.540 120.500 -0.169 0.000 2.073 134 R HA -0.191 4.150 4.340 0.002 0.000 0.234 134 R C 1.446 177.672 176.300 -0.123 0.000 1.134 134 R CA 1.901 57.843 56.100 -0.264 0.000 0.952 134 R CB -1.393 28.530 30.300 -0.628 0.000 0.850 134 R HN 0.519 nan 8.270 nan 0.000 0.433 135 W N 1.393 122.741 121.300 0.079 0.000 2.465 135 W HA 0.087 4.748 4.660 0.002 0.000 0.268 135 W C 1.861 178.481 176.519 0.168 0.000 1.242 135 W CA 0.570 57.947 57.345 0.054 0.000 1.248 135 W CB -0.286 29.117 29.460 -0.095 0.000 1.118 135 W HN 0.267 nan 8.180 nan 0.000 0.587 136 N N 0.286 119.267 118.700 0.469 0.000 2.166 136 N HA -0.206 4.535 4.740 0.002 0.000 0.186 136 N C 1.677 177.354 175.510 0.278 0.000 1.019 136 N CA 1.250 54.620 53.050 0.533 0.000 0.856 136 N CB -0.146 38.573 38.487 0.386 0.000 0.993 136 N HN 0.415 nan 8.380 nan 0.000 0.426 137 Q N -0.309 119.601 119.800 0.183 0.000 2.033 137 Q HA -0.154 4.187 4.340 0.002 0.000 0.196 137 Q C 1.744 177.904 176.000 0.267 0.000 0.970 137 Q CA 1.055 56.915 55.803 0.094 0.000 0.828 137 Q CB -0.316 28.428 28.738 0.010 0.000 0.895 137 Q HN 0.473 nan 8.270 nan 0.000 0.440 138 W N 1.897 123.262 121.300 0.108 0.000 2.290 138 W HA -0.280 4.381 4.660 0.002 0.000 0.318 138 W C 1.701 178.314 176.519 0.157 0.000 1.248 138 W CA 1.700 59.132 57.345 0.146 0.000 1.263 138 W CB -0.176 29.452 29.460 0.281 0.000 1.147 138 W HN 0.044 nan 8.180 nan 0.000 0.494 139 I N -0.629 120.326 120.570 0.642 0.000 2.179 139 I HA -0.303 3.868 4.170 0.002 0.000 0.242 139 I C 2.383 178.633 176.117 0.222 0.000 1.088 139 I CA 1.607 63.176 61.300 0.448 0.000 1.357 139 I CB -0.905 37.343 38.000 0.413 0.000 1.051 139 I HN -0.004 nan 8.210 nan 0.000 0.409 140 F N 1.555 121.612 119.950 0.178 0.000 2.154 140 F HA -0.273 4.255 4.527 0.002 0.000 0.301 140 F C 2.143 177.924 175.800 -0.031 0.000 1.087 140 F CA 1.664 59.680 58.000 0.027 0.000 1.274 140 F CB -0.143 38.752 39.000 -0.174 0.000 1.009 140 F HN -0.075 nan 8.300 nan 0.000 0.485 141 L N -0.134 121.133 121.223 0.073 0.000 1.988 141 L HA -0.220 4.121 4.340 0.002 0.000 0.207 141 L C 2.567 179.401 176.870 -0.062 0.000 1.071 141 L CA 1.249 56.084 54.840 -0.008 0.000 0.744 141 L CB -0.867 41.137 42.059 -0.092 0.000 0.893 141 L HN -0.080 nan 8.230 nan 0.000 0.433 142 K N 0.103 120.377 120.400 -0.210 0.000 2.228 142 K HA -0.184 4.137 4.320 0.002 0.000 0.205 142 K C 1.913 178.558 176.600 0.076 0.000 1.045 142 K CA 1.600 57.806 56.287 -0.135 0.000 0.931 142 K CB -0.336 32.011 32.500 -0.256 0.000 0.727 142 K HN 0.441 nan 8.250 nan 0.000 0.458 143 M N -1.375 118.180 119.600 -0.076 0.000 2.388 143 M HA -0.081 4.400 4.480 0.002 0.000 0.265 143 M C 2.047 178.281 176.300 -0.109 0.000 1.088 143 M CA 0.784 55.937 55.300 -0.244 0.000 1.134 143 M CB -0.261 31.995 32.600 -0.572 0.000 1.384 143 M HN 0.280 nan 8.290 nan 0.000 0.447 144 W N 2.601 123.732 121.300 -0.282 0.000 2.380 144 W HA -0.155 4.506 4.660 0.002 0.000 0.317 144 W C 1.437 177.929 176.519 -0.045 0.000 1.196 144 W CA 1.664 58.912 57.345 -0.161 0.000 1.307 144 W CB -0.345 29.025 29.460 -0.150 0.000 1.157 144 W HN 0.226 nan 8.180 nan 0.000 0.483 145 E N 0.525 120.692 120.200 -0.055 0.000 2.130 145 E HA -0.289 4.063 4.350 0.002 0.000 0.196 145 E C 1.873 178.373 176.600 -0.167 0.000 0.998 145 E CA 1.468 57.776 56.400 -0.153 0.000 0.806 145 E CB -0.370 29.326 29.700 -0.007 0.000 0.738 145 E HN 0.114 nan 8.360 nan 0.000 0.459 146 K N -0.133 120.223 120.400 -0.074 0.000 2.505 146 K HA 0.014 4.335 4.320 0.002 0.000 0.192 146 K C 0.750 177.315 176.600 -0.059 0.000 1.025 146 K CA 0.620 56.895 56.287 -0.020 0.000 1.086 146 K CB 0.113 32.691 32.500 0.131 0.000 0.840 146 K HN 0.206 nan 8.250 nan 0.000 0.514 147 G N 0.966 109.664 108.800 -0.170 0.000 2.203 147 G HA2 -0.265 3.696 3.960 0.002 0.000 0.263 147 G HA3 -0.265 3.696 3.960 0.002 0.000 0.263 147 G C 0.444 175.340 174.900 -0.006 0.000 1.012 147 G CA 0.602 45.600 45.100 -0.169 0.000 0.749 147 G HN 0.371 nan 8.290 nan 0.000 0.512 148 L N -0.690 120.558 121.223 0.042 0.000 2.529 148 L HA 0.497 4.838 4.340 0.002 0.000 0.223 148 L C 1.696 178.672 176.870 0.177 0.000 1.113 148 L CA 0.735 55.656 54.840 0.134 0.000 0.861 148 L CB 0.094 42.229 42.059 0.128 0.000 1.012 148 L HN 0.493 nan 8.230 nan 0.000 0.461 149 A N -0.387 122.520 122.820 0.145 0.000 2.340 149 A HA 0.694 5.015 4.320 0.002 0.000 0.331 149 A C -1.111 176.824 177.584 0.586 0.000 1.140 149 A CA -0.281 51.889 52.037 0.222 0.000 0.801 149 A CB 0.940 19.845 19.000 -0.157 0.000 1.234 149 A HN 0.240 nan 8.150 nan 0.000 0.469 150 Y N -1.215 119.446 120.300 0.602 0.000 2.851 150 Y HA 0.701 5.252 4.550 0.002 0.000 0.359 150 Y C -1.096 174.805 175.900 0.000 0.000 1.231 150 Y CA -1.281 57.022 58.100 0.339 0.000 1.106 150 Y CB 0.561 39.098 38.460 0.129 0.000 1.409 150 Y HN 0.688 nan 8.280 nan 0.000 0.454 151 R N 1.391 121.867 120.500 -0.040 0.000 2.778 151 R HA 0.978 5.319 4.340 0.002 0.000 0.277 151 R C -1.383 175.006 176.300 0.149 0.000 0.977 151 R CA -0.846 55.108 56.100 -0.244 0.000 0.950 151 R CB 2.145 32.070 30.300 -0.626 0.000 1.165 151 R HN 1.146 nan 8.270 nan 0.000 0.474 152 A N 1.622 124.524 122.820 0.136 0.000 2.581 152 A HA 0.318 4.639 4.320 0.002 0.000 0.294 152 A C -1.139 176.527 177.584 0.137 0.000 1.035 152 A CA -0.894 51.214 52.037 0.119 0.000 0.684 152 A CB 1.100 20.174 19.000 0.125 0.000 1.282 152 A HN 0.635 nan 8.150 nan 0.000 0.417 153 K N 0.181 120.634 120.400 0.088 0.000 2.948 153 K HA 0.680 5.001 4.320 0.002 0.000 0.323 153 K C 0.680 177.366 176.600 0.144 0.000 1.015 153 K CA 0.400 56.751 56.287 0.107 0.000 1.117 153 K CB 0.113 32.652 32.500 0.065 0.000 1.264 153 K HN 2.270 nan 8.250 nan 0.000 0.486 154 G N -0.183 108.701 108.800 0.141 0.000 2.662 154 G HA2 -0.152 3.809 3.960 0.002 0.000 0.686 154 G HA3 -0.152 3.809 3.960 0.002 0.000 0.686 154 G C -0.910 174.107 174.900 0.195 0.000 1.271 154 G CA -1.031 44.178 45.100 0.182 0.000 0.816 154 G HN 0.323 nan 8.290 nan 0.000 0.608 155 L N 0.599 121.942 121.223 0.200 0.000 2.410 155 L HA 0.437 4.778 4.340 0.002 0.000 0.273 155 L C 1.282 178.285 176.870 0.223 0.000 1.144 155 L CA -0.532 54.422 54.840 0.189 0.000 0.863 155 L CB 0.520 42.682 42.059 0.171 0.000 1.140 155 L HN 0.810 nan 8.230 nan 0.000 0.463 156 V N 0.526 120.577 119.914 0.229 0.000 2.881 156 V HA 0.494 4.615 4.120 0.002 0.000 0.316 156 V C -0.203 176.044 176.094 0.254 0.000 1.070 156 V CA -1.171 61.279 62.300 0.250 0.000 0.976 156 V CB 1.897 33.872 31.823 0.254 0.000 1.038 156 V HN 0.657 nan 8.190 nan 0.000 0.446 157 N N 2.625 121.469 118.700 0.239 0.000 2.488 157 N HA 0.293 5.034 4.740 0.002 0.000 0.274 157 N C -1.020 174.656 175.510 0.276 0.000 1.111 157 N CA -0.275 52.919 53.050 0.240 0.000 0.974 157 N CB 0.809 39.417 38.487 0.202 0.000 1.089 157 N HN 0.895 nan 8.380 nan 0.000 0.465 158 W N 4.179 125.548 121.300 0.115 0.000 2.587 158 W HA 0.464 5.125 4.660 0.002 0.000 0.324 158 W C -1.051 175.530 176.519 0.103 0.000 1.040 158 W CA -1.049 56.358 57.345 0.103 0.000 1.222 158 W CB 1.402 30.911 29.460 0.081 0.000 1.381 158 W HN 0.353 nan 8.180 nan 0.000 0.483 159 C N 10.519 129.562 119.300 -0.427 0.000 2.223 159 C HA 0.300 4.761 4.460 0.002 0.000 0.324 159 C C -0.257 174.580 174.990 -0.255 0.000 1.196 159 C CA -2.242 56.656 59.018 -0.200 0.000 1.628 159 C CB 0.189 27.855 27.740 -0.123 0.000 2.229 159 C HN 0.542 nan 8.230 nan 0.000 0.486 160 P HA -0.175 nan 4.420 nan 0.000 0.216 160 P C 1.331 178.651 177.300 0.033 0.000 1.150 160 P CA 1.650 64.881 63.100 0.218 0.000 0.837 160 P CB 0.210 32.024 31.700 0.191 0.000 0.786 161 K N -0.617 119.707 120.400 -0.127 0.000 2.007 161 K HA -0.049 4.272 4.320 0.002 0.000 0.206 161 K C 2.193 178.655 176.600 -0.230 0.000 1.047 161 K CA 1.467 57.598 56.287 -0.260 0.000 0.937 161 K CB -0.540 31.593 32.500 -0.612 0.000 0.718 161 K HN 0.129 nan 8.250 nan 0.000 0.438 162 C N 1.073 120.233 119.300 -0.232 0.000 2.456 162 C HA 0.040 4.501 4.460 0.002 0.000 0.279 162 C C 0.418 175.313 174.990 -0.158 0.000 1.427 162 C CA -0.044 58.907 59.018 -0.112 0.000 1.778 162 C CB -0.617 27.114 27.740 -0.014 0.000 1.842 162 C HN 0.509 nan 8.230 nan 0.000 0.531 163 Q N 0.607 120.279 119.800 -0.213 0.000 2.451 163 Q HA -0.192 4.149 4.340 0.002 0.000 0.305 163 Q C 0.022 175.719 176.000 -0.505 0.000 1.345 163 Q CA 1.672 57.403 55.803 -0.120 0.000 0.854 163 Q CB -1.610 27.201 28.738 0.122 0.000 1.162 163 Q HN 0.751 nan 8.270 nan 0.000 0.440 164 T N -2.570 111.257 114.554 -1.212 0.000 2.733 164 T HA 0.518 4.869 4.350 0.002 0.000 0.312 164 T C -0.950 173.169 174.700 -0.968 0.000 1.590 164 T CA -0.122 61.353 62.100 -1.042 0.000 1.005 164 T CB 1.430 70.102 68.868 -0.327 0.000 1.528 164 T HN 0.340 nan 8.240 nan 0.000 0.496 165 V N 1.582 121.254 119.914 -0.403 0.000 2.785 165 V HA 0.827 4.949 4.120 0.002 0.000 0.300 165 V C -0.449 175.637 176.094 -0.013 0.000 1.062 165 V CA -0.473 61.774 62.300 -0.089 0.000 1.029 165 V CB 0.683 32.574 31.823 0.114 0.000 1.024 165 V HN 0.809 nan 8.190 nan 0.000 0.477 166 L N 2.573 123.836 121.223 0.068 0.000 2.333 166 L HA 0.849 5.190 4.340 0.002 0.000 0.263 166 L C 0.486 177.454 176.870 0.164 0.000 1.014 166 L CA -0.846 54.069 54.840 0.125 0.000 0.820 166 L CB 2.000 44.154 42.059 0.159 0.000 1.352 166 L HN 0.960 nan 8.230 nan 0.000 0.421 167 A N 0.806 123.749 122.820 0.205 0.000 2.332 167 A HA 0.242 4.563 4.320 0.002 0.000 0.258 167 A C 0.608 178.342 177.584 0.250 0.000 1.087 167 A CA -0.267 51.938 52.037 0.280 0.000 0.802 167 A CB 0.057 19.315 19.000 0.430 0.000 1.042 167 A HN 0.901 nan 8.150 nan 0.000 0.489 168 N N 0.661 119.539 118.700 0.296 0.000 2.205 168 N HA -0.149 4.592 4.740 0.002 0.000 0.186 168 N C 0.855 176.586 175.510 0.368 0.000 1.015 168 N CA 1.802 55.043 53.050 0.317 0.000 0.862 168 N CB -0.185 38.495 38.487 0.322 0.000 0.986 168 N HN 0.761 nan 8.380 nan 0.000 0.429 169 E N 0.433 120.800 120.200 0.279 0.000 2.338 169 E HA -0.081 4.270 4.350 0.002 0.000 0.197 169 E C 0.826 177.358 176.600 -0.113 0.000 1.007 169 E CA 0.672 57.033 56.400 -0.065 0.000 0.849 169 E CB -0.040 29.453 29.700 -0.347 0.000 0.774 169 E HN 0.493 nan 8.360 nan 0.000 0.506 170 Q N -0.114 119.677 119.800 -0.014 0.000 2.212 170 Q HA 0.162 4.503 4.340 0.002 0.000 0.213 170 Q C -0.798 175.286 176.000 0.139 0.000 0.874 170 Q CA -0.092 55.643 55.803 -0.115 0.000 0.965 170 Q CB 1.006 29.562 28.738 -0.304 0.000 1.074 170 Q HN -0.007 nan 8.270 nan 0.000 0.473 171 V N 1.499 121.518 119.914 0.176 0.000 2.276 171 V HA 0.221 4.343 4.120 0.002 0.000 0.268 171 V C -0.334 175.882 176.094 0.203 0.000 1.032 171 V CA -0.597 61.832 62.300 0.215 0.000 0.810 171 V CB 1.215 33.166 31.823 0.214 0.000 1.060 171 V HN -0.073 nan 8.190 nan 0.000 0.446 172 V N 3.832 123.867 119.914 0.201 0.000 2.432 172 V HA 0.351 4.472 4.120 0.002 0.000 0.275 172 V C 1.025 177.207 176.094 0.146 0.000 1.043 172 V CA -0.231 62.167 62.300 0.164 0.000 0.925 172 V CB 0.679 32.598 31.823 0.160 0.000 0.985 172 V HN 1.013 nan 8.190 nan 0.000 0.466 173 E N 3.197 123.474 120.200 0.129 0.000 3.370 173 E HA -0.291 4.060 4.350 0.002 0.000 0.291 173 E C 1.182 177.850 176.600 0.114 0.000 0.916 173 E CA 0.685 57.151 56.400 0.110 0.000 0.981 173 E CB -1.369 28.387 29.700 0.094 0.000 1.498 173 E HN 1.519 nan 8.360 nan 0.000 0.452 174 G N 0.019 108.899 108.800 0.133 0.000 2.132 174 G HA2 -0.329 3.632 3.960 0.002 0.000 0.234 174 G HA3 -0.329 3.632 3.960 0.002 0.000 0.234 174 G C 0.144 175.127 174.900 0.138 0.000 0.989 174 G CA 0.523 45.702 45.100 0.132 0.000 0.676 174 G HN 0.247 nan 8.290 nan 0.000 0.522 175 R N -1.482 119.108 120.500 0.151 0.000 2.950 175 R HA 0.676 5.018 4.340 0.002 0.000 0.253 175 R C 0.355 176.779 176.300 0.208 0.000 1.168 175 R CA -0.246 55.950 56.100 0.160 0.000 1.014 175 R CB 0.932 31.313 30.300 0.136 0.000 1.228 175 R HN 0.349 nan 8.270 nan 0.000 0.487 176 C N 2.142 121.580 119.300 0.230 0.000 2.689 176 C HA 0.128 4.589 4.460 0.002 0.000 0.409 176 C C 1.770 176.949 174.990 0.316 0.000 1.293 176 C CA -0.544 58.666 59.018 0.319 0.000 2.136 176 C CB -0.135 27.825 27.740 0.366 0.000 2.719 176 C HN 1.001 nan 8.230 nan 0.000 0.644 177 W N 4.477 125.831 121.300 0.090 0.000 2.678 177 W HA 0.122 4.783 4.660 0.002 0.000 0.256 177 W C 1.528 178.042 176.519 -0.008 0.000 1.280 177 W CA 0.520 57.904 57.345 0.065 0.000 1.345 177 W CB -0.957 28.576 29.460 0.122 0.000 1.118 177 W HN 0.659 nan 8.180 nan 0.000 0.629 178 R N 0.146 120.299 120.500 -0.577 0.000 2.221 178 R HA 0.053 4.394 4.340 0.002 0.000 0.195 178 R C -0.257 175.668 176.300 -0.626 0.000 0.956 178 R CA 0.539 56.150 56.100 -0.816 0.000 1.064 178 R CB -0.560 28.998 30.300 -1.237 0.000 1.049 178 R HN 0.333 nan 8.270 nan 0.000 0.534 179 H N 0.439 119.445 119.070 -0.107 0.000 2.486 179 H HA 0.232 4.789 4.556 0.002 0.000 0.239 179 H C -0.313 175.020 175.328 0.009 0.000 1.480 179 H CA -0.285 55.736 56.048 -0.045 0.000 1.324 179 H CB 0.795 30.538 29.762 -0.032 0.000 1.486 179 H HN -0.132 nan 8.280 nan 0.000 0.544 180 E N 2.097 122.339 120.200 0.071 0.000 2.441 180 E HA -0.067 4.284 4.350 0.002 0.000 0.210 180 E C 0.484 177.132 176.600 0.080 0.000 1.306 180 E CA 0.351 56.799 56.400 0.080 0.000 1.307 180 E CB 0.037 29.770 29.700 0.054 0.000 1.297 180 E HN 0.767 nan 8.360 nan 0.000 0.440 181 D N -2.626 117.830 120.400 0.094 0.000 2.292 181 D HA -0.027 4.614 4.640 0.002 0.000 0.322 181 D C -0.209 176.135 176.300 0.074 0.000 1.087 181 D CA -0.060 53.984 54.000 0.073 0.000 0.857 181 D CB 0.059 40.893 40.800 0.057 0.000 1.445 181 D HN -0.067 nan 8.370 nan 0.000 0.528 182 T N 3.559 118.169 114.554 0.094 0.000 2.738 182 T HA 0.446 4.797 4.350 0.002 0.000 0.298 182 T C -2.481 172.276 174.700 0.095 0.000 0.962 182 T CA -0.921 61.222 62.100 0.072 0.000 0.972 182 T CB 1.774 70.658 68.868 0.027 0.000 0.928 182 T HN -0.013 nan 8.240 nan 0.000 0.474 183 P HA 0.192 nan 4.420 nan 0.000 0.272 183 P C -0.823 176.550 177.300 0.122 0.000 1.248 183 P CA -0.454 62.708 63.100 0.103 0.000 0.799 183 P CB 0.512 32.265 31.700 0.089 0.000 0.997 184 V N -0.021 119.974 119.914 0.136 0.000 2.656 184 V HA 0.349 4.470 4.120 0.002 0.000 0.307 184 V C 0.129 176.324 176.094 0.168 0.000 1.051 184 V CA -0.469 61.928 62.300 0.161 0.000 0.893 184 V CB 1.656 33.580 31.823 0.169 0.000 0.999 184 V HN 0.485 nan 8.190 nan 0.000 0.426 185 E N 2.112 122.440 120.200 0.213 0.000 2.303 185 E HA 0.644 4.995 4.350 0.002 0.000 0.254 185 E C -1.172 175.563 176.600 0.226 0.000 0.979 185 E CA -1.087 55.431 56.400 0.196 0.000 0.843 185 E CB 2.215 32.025 29.700 0.182 0.000 1.245 185 E HN 0.543 nan 8.360 nan 0.000 0.413 186 K N 0.926 121.429 120.400 0.172 0.000 2.259 186 K HA 0.566 4.887 4.320 0.002 0.000 0.252 186 K C -0.701 175.975 176.600 0.127 0.000 0.936 186 K CA -0.626 55.765 56.287 0.172 0.000 0.810 186 K CB 2.005 34.589 32.500 0.140 0.000 1.143 186 K HN 0.220 nan 8.250 nan 0.000 0.427 187 R N 1.381 121.966 120.500 0.142 0.000 2.564 187 R HA 0.114 4.455 4.340 0.002 0.000 0.284 187 R C -1.261 175.089 176.300 0.084 0.000 1.031 187 R CA -0.947 55.188 56.100 0.058 0.000 0.904 187 R CB 1.984 32.258 30.300 -0.044 0.000 1.199 187 R HN 0.550 nan 8.270 nan 0.000 0.443 188 E N 3.334 123.561 120.200 0.046 0.000 2.238 188 E HA 0.143 4.494 4.350 0.002 0.000 0.264 188 E C -1.171 175.465 176.600 0.059 0.000 1.136 188 E CA 0.447 56.882 56.400 0.059 0.000 0.929 188 E CB 0.173 29.892 29.700 0.030 0.000 1.010 188 E HN 0.348 nan 8.360 nan 0.000 0.440 189 L N 3.361 124.647 121.223 0.104 0.000 2.465 189 L HA 0.384 4.725 4.340 0.002 0.000 0.257 189 L C -0.758 176.190 176.870 0.130 0.000 0.988 189 L CA -0.830 54.074 54.840 0.107 0.000 0.827 189 L CB 2.236 44.381 42.059 0.145 0.000 1.397 189 L HN 0.461 nan 8.230 nan 0.000 0.410 190 E N 2.953 123.211 120.200 0.096 0.000 2.035 190 E HA 0.273 4.624 4.350 0.002 0.000 0.271 190 E C -1.160 175.494 176.600 0.091 0.000 0.953 190 E CA -0.562 55.892 56.400 0.090 0.000 0.777 190 E CB 0.794 30.506 29.700 0.021 0.000 1.104 190 E HN 0.327 nan 8.360 nan 0.000 0.408 191 Q N 2.620 122.517 119.800 0.161 0.000 2.486 191 Q HA 0.333 4.674 4.340 0.002 0.000 0.274 191 Q C -0.960 175.093 176.000 0.089 0.000 1.076 191 Q CA -0.607 55.263 55.803 0.111 0.000 0.872 191 Q CB 0.750 29.514 28.738 0.043 0.000 1.383 191 Q HN 0.508 nan 8.270 nan 0.000 0.478 192 W N 0.532 121.842 121.300 0.017 0.000 2.365 192 W HA 0.383 5.044 4.660 0.002 0.000 0.316 192 W C -0.525 175.887 176.519 -0.178 0.000 1.164 192 W CA 0.059 57.430 57.345 0.044 0.000 1.204 192 W CB 0.571 30.079 29.460 0.081 0.000 1.213 192 W HN 0.391 nan 8.180 nan 0.000 0.539 193 Y N 1.738 121.982 120.300 -0.092 0.000 2.598 193 Y HA 0.642 5.193 4.550 0.002 0.000 0.340 193 Y C -0.250 175.515 175.900 -0.226 0.000 1.038 193 Y CA -1.377 56.540 58.100 -0.304 0.000 1.100 193 Y CB 1.317 39.319 38.460 -0.765 0.000 1.281 193 Y HN -0.016 nan 8.280 nan 0.000 0.488 194 L N 1.937 123.219 121.223 0.098 0.000 2.343 194 L HA 0.483 4.824 4.340 0.002 0.000 0.278 194 L C 0.271 177.271 176.870 0.217 0.000 0.996 194 L CA -0.737 54.195 54.840 0.152 0.000 0.831 194 L CB 1.690 43.851 42.059 0.170 0.000 1.232 194 L HN 0.557 nan 8.230 nan 0.000 0.413 195 R N 3.163 123.802 120.500 0.232 0.000 4.874 195 R HA 0.036 4.377 4.340 0.002 0.000 0.173 195 R C 1.294 177.604 176.300 0.016 0.000 2.034 195 R CA 0.047 56.285 56.100 0.230 0.000 1.630 195 R CB -0.257 30.208 30.300 0.275 0.000 1.372 195 R HN 0.724 nan 8.270 nan 0.000 0.843 196 I N 0.431 120.892 120.570 -0.182 0.000 2.454 196 I HA -0.265 3.906 4.170 0.002 0.000 0.254 196 I C 1.828 177.819 176.117 -0.209 0.000 1.156 196 I CA 1.628 62.537 61.300 -0.651 0.000 1.433 196 I CB 0.063 37.738 38.000 -0.541 0.000 1.082 196 I HN 0.514 nan 8.210 nan 0.000 0.432 197 T N -0.757 113.770 114.554 -0.046 0.000 2.803 197 T HA -0.167 4.184 4.350 0.002 0.000 0.269 197 T C 1.928 176.611 174.700 -0.027 0.000 1.052 197 T CA 0.972 63.054 62.100 -0.030 0.000 1.136 197 T CB -0.772 68.111 68.868 0.024 0.000 0.864 197 T HN 0.412 nan 8.240 nan 0.000 0.467 198 A N 0.357 123.195 122.820 0.030 0.000 2.139 198 A HA -0.022 4.299 4.320 0.002 0.000 0.221 198 A C 1.522 179.026 177.584 -0.134 0.000 1.159 198 A CA 1.053 53.078 52.037 -0.020 0.000 0.662 198 A CB -0.895 18.122 19.000 0.027 0.000 0.796 198 A HN 0.721 nan 8.150 nan 0.000 0.463 199 Y N -1.753 118.498 120.300 -0.082 0.000 2.584 199 Y HA 0.462 5.013 4.550 0.002 0.000 0.254 199 Y C 2.142 177.951 175.900 -0.151 0.000 1.177 199 Y CA -0.425 57.649 58.100 -0.043 0.000 1.216 199 Y CB -0.375 38.139 38.460 0.090 0.000 1.172 199 Y HN 0.266 nan 8.280 nan 0.000 0.529 200 A N 0.382 123.093 122.820 -0.181 0.000 1.892 200 A HA -0.290 4.031 4.320 0.002 0.000 0.218 200 A C 2.138 179.448 177.584 -0.457 0.000 1.188 200 A CA 2.372 54.124 52.037 -0.475 0.000 0.631 200 A CB -0.365 17.977 19.000 -1.098 0.000 0.822 200 A HN 0.372 nan 8.150 nan 0.000 0.447 201 E N -0.028 119.948 120.200 -0.373 0.000 2.058 201 E HA -0.180 4.171 4.350 0.002 0.000 0.194 201 E C 2.192 178.757 176.600 -0.058 0.000 0.997 201 E CA 1.755 58.074 56.400 -0.135 0.000 0.801 201 E CB -0.262 29.440 29.700 0.003 0.000 0.746 201 E HN 0.625 nan 8.360 nan 0.000 0.450 202 R N -0.276 120.210 120.500 -0.023 0.000 2.066 202 R HA -0.018 4.323 4.340 0.002 0.000 0.232 202 R C 2.659 178.965 176.300 0.011 0.000 1.131 202 R CA 1.366 57.480 56.100 0.024 0.000 0.955 202 R CB -0.526 29.836 30.300 0.103 0.000 0.851 202 R HN 0.220 nan 8.270 nan 0.000 0.432 203 L N 0.618 121.855 121.223 0.024 0.000 2.129 203 L HA -0.215 4.126 4.340 0.002 0.000 0.212 203 L C 2.274 179.110 176.870 -0.057 0.000 1.087 203 L CA 0.824 55.658 54.840 -0.011 0.000 0.757 203 L CB -0.304 41.755 42.059 0.000 0.000 0.896 203 L HN 0.240 nan 8.230 nan 0.000 0.434 204 L N -0.981 120.207 121.223 -0.059 0.000 2.202 204 L HA -0.046 4.296 4.340 0.002 0.000 0.205 204 L C 2.307 179.151 176.870 -0.042 0.000 1.083 204 L CA 1.598 56.410 54.840 -0.046 0.000 0.790 204 L CB -0.616 41.427 42.059 -0.026 0.000 0.942 204 L HN -0.025 nan 8.230 nan 0.000 0.452 205 K N -0.068 120.311 120.400 -0.034 0.000 2.155 205 K HA -0.076 4.245 4.320 0.002 0.000 0.203 205 K C 0.799 177.366 176.600 -0.055 0.000 1.052 205 K CA 1.126 57.396 56.287 -0.030 0.000 0.948 205 K CB -0.090 32.402 32.500 -0.012 0.000 0.728 205 K HN 0.401 nan 8.250 nan 0.000 0.448 206 D N 0.815 121.171 120.400 -0.072 0.000 2.324 206 D HA -0.001 4.640 4.640 0.002 0.000 0.235 206 D C 1.561 177.753 176.300 -0.179 0.000 1.095 206 D CA 0.156 54.090 54.000 -0.109 0.000 0.871 206 D CB 0.204 40.943 40.800 -0.102 0.000 0.906 206 D HN 0.184 nan 8.370 nan 0.000 0.522 207 L N 0.199 121.319 121.223 -0.171 0.000 2.162 207 L HA -0.037 4.305 4.340 0.002 0.000 0.205 207 L C 2.178 178.940 176.870 -0.181 0.000 1.086 207 L CA 0.592 55.293 54.840 -0.232 0.000 0.778 207 L CB -0.084 41.872 42.059 -0.171 0.000 0.928 207 L HN -0.046 nan 8.230 nan 0.000 0.446 208 E N 0.496 120.628 120.200 -0.113 0.000 2.082 208 E HA -0.281 4.070 4.350 0.002 0.000 0.215 208 E C 1.966 178.516 176.600 -0.083 0.000 1.048 208 E CA 1.608 57.961 56.400 -0.079 0.000 0.869 208 E CB -0.471 29.196 29.700 -0.054 0.000 0.773 208 E HN 0.554 nan 8.360 nan 0.000 0.466 209 G N 0.657 109.401 108.800 -0.093 0.000 2.679 209 G HA2 -0.051 3.910 3.960 0.002 0.000 0.212 209 G HA3 -0.051 3.910 3.960 0.002 0.000 0.212 209 G C 0.485 175.322 174.900 -0.104 0.000 1.137 209 G CA -0.288 44.763 45.100 -0.083 0.000 0.787 209 G HN -0.022 nan 8.290 nan 0.000 0.534 210 L N 1.043 122.163 121.223 -0.172 0.000 2.455 210 L HA 0.226 4.567 4.340 0.002 0.000 0.272 210 L C 0.214 177.025 176.870 -0.099 0.000 1.174 210 L CA -0.287 54.403 54.840 -0.249 0.000 0.869 210 L CB 0.779 42.498 42.059 -0.566 0.000 1.130 210 L HN 0.080 nan 8.230 nan 0.000 0.474 211 N N 3.883 122.601 118.700 0.030 0.000 3.105 211 N HA 0.216 4.957 4.740 0.002 0.000 0.256 211 N C -1.438 174.301 175.510 0.382 0.000 1.174 211 N CA -0.358 52.778 53.050 0.143 0.000 1.030 211 N CB 0.164 38.713 38.487 0.104 0.000 1.305 211 N HN 0.344 nan 8.380 nan 0.000 0.509 212 W N 1.613 122.904 121.300 -0.014 0.000 2.804 212 W HA 0.499 5.160 4.660 0.002 0.000 0.352 212 W C -2.099 174.404 176.519 -0.026 0.000 1.153 212 W CA -2.197 55.139 57.345 -0.014 0.000 1.119 212 W CB -0.140 29.312 29.460 -0.012 0.000 1.448 212 W HN 0.216 nan 8.180 nan 0.000 0.600 213 P HA 0.021 nan 4.420 nan 0.000 0.271 213 P C 0.715 178.060 177.300 0.075 0.000 1.226 213 P CA 0.226 63.345 63.100 0.032 0.000 0.765 213 P CB 0.877 32.531 31.700 -0.075 0.000 0.835 214 E N 4.392 124.623 120.200 0.052 0.000 2.233 214 E HA -0.275 4.076 4.350 0.002 0.000 0.199 214 E C 1.614 178.239 176.600 0.042 0.000 1.004 214 E CA 1.644 58.073 56.400 0.048 0.000 0.819 214 E CB -0.246 29.469 29.700 0.025 0.000 0.738 214 E HN 0.350 nan 8.360 nan 0.000 0.478 215 K N -0.473 119.939 120.400 0.020 0.000 2.057 215 K HA -0.101 4.220 4.320 0.002 0.000 0.206 215 K C 1.866 178.483 176.600 0.029 0.000 1.050 215 K CA 1.478 57.770 56.287 0.010 0.000 0.935 215 K CB 0.032 32.519 32.500 -0.022 0.000 0.715 215 K HN 0.108 nan 8.250 nan 0.000 0.439 216 V N 1.696 121.640 119.914 0.051 0.000 2.323 216 V HA -0.190 3.931 4.120 0.002 0.000 0.244 216 V C 2.135 178.318 176.094 0.148 0.000 1.041 216 V CA 1.717 64.072 62.300 0.091 0.000 1.025 216 V CB -0.418 31.474 31.823 0.115 0.000 0.656 216 V HN 0.319 nan 8.190 nan 0.000 0.451 217 K N 1.018 121.527 120.400 0.183 0.000 2.020 217 K HA -0.197 4.124 4.320 0.002 0.000 0.212 217 K C 2.312 178.956 176.600 0.074 0.000 1.050 217 K CA 1.740 58.102 56.287 0.124 0.000 0.929 217 K CB -0.629 31.920 32.500 0.082 0.000 0.714 217 K HN 0.439 nan 8.250 nan 0.000 0.443 218 A N 1.093 123.950 122.820 0.063 0.000 2.032 218 A HA -0.197 4.124 4.320 0.002 0.000 0.221 218 A C 2.094 179.715 177.584 0.062 0.000 1.165 218 A CA 1.678 53.745 52.037 0.050 0.000 0.645 218 A CB -0.509 18.515 19.000 0.040 0.000 0.807 218 A HN 0.261 nan 8.150 nan 0.000 0.453 219 M N -1.370 118.270 119.600 0.067 0.000 2.288 219 M HA -0.125 4.356 4.480 0.002 0.000 0.266 219 M C 2.376 178.742 176.300 0.109 0.000 1.072 219 M CA 1.095 56.441 55.300 0.076 0.000 1.132 219 M CB -0.138 32.485 32.600 0.039 0.000 1.386 219 M HN 0.488 nan 8.290 nan 0.000 0.432 220 Q N -0.268 119.585 119.800 0.088 0.000 2.096 220 Q HA -0.088 4.253 4.340 0.002 0.000 0.197 220 Q C 2.044 178.112 176.000 0.114 0.000 0.964 220 Q CA 1.003 56.864 55.803 0.097 0.000 0.838 220 Q CB -0.105 28.662 28.738 0.050 0.000 0.906 220 Q HN 0.516 nan 8.270 nan 0.000 0.444 221 R N 0.664 121.210 120.500 0.076 0.000 2.096 221 R HA -0.149 4.192 4.340 0.002 0.000 0.240 221 R C 2.268 178.618 176.300 0.083 0.000 1.139 221 R CA 1.473 57.610 56.100 0.062 0.000 0.952 221 R CB -0.424 29.902 30.300 0.044 0.000 0.854 221 R HN 0.193 nan 8.270 nan 0.000 0.436 222 A N 0.546 123.424 122.820 0.097 0.000 1.969 222 A HA -0.168 4.153 4.320 0.002 0.000 0.218 222 A C 1.839 179.494 177.584 0.117 0.000 1.169 222 A CA 0.783 52.874 52.037 0.091 0.000 0.635 222 A CB -0.744 18.311 19.000 0.091 0.000 0.810 222 A HN 0.623 nan 8.150 nan 0.000 0.445 223 W N 0.288 121.575 121.300 -0.022 0.000 2.476 223 W HA -0.040 4.621 4.660 0.002 0.000 0.281 223 W C 1.451 177.953 176.519 -0.028 0.000 1.230 223 W CA 1.193 58.517 57.345 -0.035 0.000 1.287 223 W CB -0.045 29.378 29.460 -0.063 0.000 1.108 223 W HN 0.320 nan 8.180 nan 0.000 0.567 224 I N 1.115 121.751 120.570 0.110 0.000 2.480 224 I HA 0.007 4.178 4.170 0.002 0.000 0.251 224 I C 1.468 177.606 176.117 0.036 0.000 1.124 224 I CA 1.042 62.360 61.300 0.030 0.000 1.444 224 I CB -1.093 36.927 38.000 0.034 0.000 1.098 224 I HN -0.003 nan 8.210 nan 0.000 0.428 225 G N 3.773 112.600 108.800 0.045 0.000 2.247 225 G HA2 -0.304 3.657 3.960 0.002 0.000 0.260 225 G HA3 -0.304 3.657 3.960 0.002 0.000 0.260 225 G C 0.289 175.275 174.900 0.143 0.000 0.852 225 G CA 0.196 45.326 45.100 0.051 0.000 1.281 225 G HN 0.437 nan 8.290 nan 0.000 0.378 226 R N 0.482 121.101 120.500 0.200 0.000 2.539 226 R HA 0.556 4.897 4.340 0.002 0.000 0.275 226 R C -0.350 175.990 176.300 0.066 0.000 1.077 226 R CA 0.317 56.550 56.100 0.222 0.000 1.097 226 R CB 1.041 31.515 30.300 0.290 0.000 1.018 226 R HN 0.505 nan 8.270 nan 0.000 0.483 227 S N 2.381 118.062 115.700 -0.031 0.000 2.626 227 S HA 0.196 4.667 4.470 0.002 0.000 0.275 227 S C -1.579 173.073 174.600 0.086 0.000 1.175 227 S CA -0.764 57.473 58.200 0.061 0.000 0.982 227 S CB 1.095 64.395 63.200 0.167 0.000 1.093 227 S HN 0.676 nan 8.310 nan 0.000 0.472 228 E N 2.208 122.468 120.200 0.101 0.000 2.301 228 E HA 0.660 5.011 4.350 0.002 0.000 0.275 228 E C 0.596 177.291 176.600 0.158 0.000 1.030 228 E CA -0.459 56.003 56.400 0.103 0.000 0.852 228 E CB 1.498 31.223 29.700 0.042 0.000 1.060 228 E HN 0.747 nan 8.360 nan 0.000 0.401 229 G N 0.707 109.603 108.800 0.160 0.000 2.450 229 G HA2 0.587 4.548 3.960 0.002 0.000 0.273 229 G HA3 0.587 4.548 3.960 0.002 0.000 0.273 229 G C -1.756 173.092 174.900 -0.087 0.000 1.221 229 G CA -0.146 44.890 45.100 -0.107 0.000 0.900 229 G HN 0.612 nan 8.290 nan 0.000 0.483 230 A N -0.522 122.111 122.820 -0.311 0.000 2.414 230 A HA 0.789 5.110 4.320 0.002 0.000 0.306 230 A C -0.813 176.729 177.584 -0.070 0.000 1.054 230 A CA -0.327 51.643 52.037 -0.111 0.000 0.724 230 A CB 1.870 20.816 19.000 -0.091 0.000 1.267 230 A HN 0.678 nan 8.150 nan 0.000 0.418 231 E N 2.981 123.223 120.200 0.069 0.000 2.070 231 E HA 0.489 4.840 4.350 0.002 0.000 0.261 231 E C -1.055 175.593 176.600 0.080 0.000 0.926 231 E CA -0.267 56.199 56.400 0.111 0.000 0.760 231 E CB 0.315 30.087 29.700 0.120 0.000 1.133 231 E HN 0.585 nan 8.360 nan 0.000 0.420 232 I N 4.383 125.015 120.570 0.103 0.000 2.499 232 I HA 0.263 4.434 4.170 0.002 0.000 0.296 232 I C -0.040 176.211 176.117 0.225 0.000 0.992 232 I CA -0.900 60.489 61.300 0.149 0.000 1.297 232 I CB 1.200 39.333 38.000 0.221 0.000 1.410 232 I HN 0.411 nan 8.210 nan 0.000 0.507 233 L N 5.109 126.427 121.223 0.158 0.000 2.313 233 L HA 0.442 4.783 4.340 0.002 0.000 0.283 233 L C -1.132 175.840 176.870 0.170 0.000 1.013 233 L CA -0.411 54.535 54.840 0.177 0.000 0.816 233 L CB 1.100 43.198 42.059 0.065 0.000 1.236 233 L HN 0.362 nan 8.230 nan 0.000 0.419 234 F N 3.844 123.796 119.950 0.004 0.000 2.388 234 F HA 0.454 4.982 4.527 0.002 0.000 0.358 234 F C -2.059 173.749 175.800 0.014 0.000 1.122 234 F CA -2.720 55.285 58.000 0.007 0.000 1.056 234 F CB 1.236 40.241 39.000 0.008 0.000 1.155 234 F HN 0.212 nan 8.300 nan 0.000 0.461 235 P HA 0.130 nan 4.420 nan 0.000 0.271 235 P C -0.638 176.728 177.300 0.109 0.000 1.216 235 P CA -0.162 62.984 63.100 0.077 0.000 0.776 235 P CB 0.873 32.588 31.700 0.025 0.000 0.881 236 V N 2.951 122.917 119.914 0.088 0.000 2.546 236 V HA 0.092 4.213 4.120 0.002 0.000 0.284 236 V C 0.806 176.948 176.094 0.079 0.000 1.050 236 V CA -0.459 61.896 62.300 0.092 0.000 0.981 236 V CB 0.731 32.592 31.823 0.064 0.000 0.990 236 V HN 0.574 nan 8.190 nan 0.000 0.474 237 E N 3.115 123.377 120.200 0.104 0.000 2.493 237 E HA 0.229 4.580 4.350 0.002 0.000 0.255 237 E C 1.333 177.957 176.600 0.040 0.000 0.999 237 E CA 0.953 57.399 56.400 0.076 0.000 0.934 237 E CB 0.058 29.816 29.700 0.096 0.000 0.940 237 E HN 0.972 nan 8.360 nan 0.000 0.473 238 G N 4.936 113.750 108.800 0.022 0.000 2.708 238 G HA2 -0.309 3.652 3.960 0.002 0.000 0.229 238 G HA3 -0.309 3.652 3.960 0.002 0.000 0.229 238 G C 0.344 175.250 174.900 0.009 0.000 1.236 238 G CA 0.448 45.553 45.100 0.008 0.000 0.749 238 G HN 0.538 nan 8.290 nan 0.000 0.515 239 K N 1.287 121.697 120.400 0.016 0.000 2.234 239 K HA 0.317 4.638 4.320 0.002 0.000 0.251 239 K C 1.476 178.084 176.600 0.014 0.000 1.011 239 K CA 0.878 57.172 56.287 0.013 0.000 0.889 239 K CB 0.384 32.893 32.500 0.016 0.000 1.011 239 K HN 0.547 nan 8.250 nan 0.000 0.505 240 E N -0.112 120.094 120.200 0.010 0.000 2.276 240 E HA 0.005 4.356 4.350 0.002 0.000 0.193 240 E C 0.810 177.418 176.600 0.013 0.000 0.983 240 E CA -0.086 56.319 56.400 0.008 0.000 0.861 240 E CB -0.157 29.545 29.700 0.003 0.000 0.817 240 E HN 0.226 nan 8.360 nan 0.000 0.485 241 V N 1.422 121.346 119.914 0.017 0.000 2.963 241 V HA 0.170 4.291 4.120 0.002 0.000 0.306 241 V C -0.301 175.816 176.094 0.037 0.000 1.077 241 V CA -0.210 62.104 62.300 0.025 0.000 1.124 241 V CB 0.809 32.647 31.823 0.025 0.000 0.987 241 V HN 0.150 nan 8.190 nan 0.000 0.487 242 R N 5.385 125.912 120.500 0.045 0.000 2.670 242 R HA 0.595 4.936 4.340 0.002 0.000 0.289 242 R C -1.083 175.268 176.300 0.085 0.000 0.965 242 R CA -0.718 55.421 56.100 0.066 0.000 0.899 242 R CB 2.039 32.370 30.300 0.051 0.000 1.173 242 R HN 0.638 nan 8.270 nan 0.000 0.456 243 I N 3.907 124.547 120.570 0.116 0.000 2.312 243 I HA 0.294 4.465 4.170 0.002 0.000 0.290 243 I C -2.212 173.988 176.117 0.138 0.000 1.008 243 I CA -2.324 59.042 61.300 0.111 0.000 1.226 243 I CB 1.701 39.734 38.000 0.055 0.000 1.371 243 I HN 0.210 nan 8.210 nan 0.000 0.468 244 P HA 0.245 nan 4.420 nan 0.000 0.292 244 P C -0.934 176.421 177.300 0.092 0.000 1.287 244 P CA -0.349 62.819 63.100 0.113 0.000 0.800 244 P CB 1.351 33.102 31.700 0.085 0.000 0.945 245 V N 0.951 120.915 119.914 0.083 0.000 2.876 245 V HA 0.662 4.783 4.120 0.002 0.000 0.312 245 V C -0.951 175.198 176.094 0.092 0.000 1.085 245 V CA -1.077 61.245 62.300 0.036 0.000 0.945 245 V CB 1.972 33.730 31.823 -0.108 0.000 1.017 245 V HN 0.316 nan 8.190 nan 0.000 0.428 246 F N 2.413 122.324 119.950 -0.065 0.000 2.432 246 F HA 0.853 5.381 4.527 0.002 0.000 0.329 246 F C 0.148 175.927 175.800 -0.036 0.000 1.076 246 F CA 0.286 58.244 58.000 -0.069 0.000 1.018 246 F CB 1.944 40.857 39.000 -0.144 0.000 1.201 246 F HN 1.007 nan 8.300 nan 0.000 0.489 247 T N 2.204 116.133 114.554 -1.042 0.000 3.435 247 T HA 0.224 4.575 4.350 0.002 0.000 0.344 247 T C 0.096 174.339 174.700 -0.762 0.000 1.211 247 T CA 0.019 61.707 62.100 -0.686 0.000 1.104 247 T CB 0.752 69.445 68.868 -0.291 0.000 1.196 247 T HN 0.842 nan 8.240 nan 0.000 0.471 248 T N 1.824 116.087 114.554 -0.485 0.000 3.188 248 T HA 0.334 4.685 4.350 0.002 0.000 0.250 248 T C 0.698 175.294 174.700 -0.172 0.000 1.077 248 T CA -0.251 61.679 62.100 -0.282 0.000 0.967 248 T CB -0.036 68.771 68.868 -0.102 0.000 1.006 248 T HN 0.384 nan 8.240 nan 0.000 0.552 249 R N 1.313 121.710 120.500 -0.172 0.000 2.638 249 R HA 0.262 4.603 4.340 0.002 0.000 0.269 249 R C -2.355 173.886 176.300 -0.099 0.000 1.393 249 R CA -1.646 54.386 56.100 -0.113 0.000 1.531 249 R CB 0.999 31.252 30.300 -0.078 0.000 1.327 249 R HN 0.252 nan 8.270 nan 0.000 0.709 250 P HA -0.134 nan 4.420 nan 0.000 0.225 250 P C 0.438 177.690 177.300 -0.080 0.000 1.148 250 P CA 0.960 64.011 63.100 -0.083 0.000 0.779 250 P CB 0.201 31.849 31.700 -0.087 0.000 0.780 251 D N 0.087 120.426 120.400 -0.102 0.000 2.358 251 D HA -0.055 4.586 4.640 0.002 0.000 0.241 251 D C 0.701 176.957 176.300 -0.074 0.000 1.094 251 D CA 0.832 54.752 54.000 -0.132 0.000 0.907 251 D CB -0.752 39.968 40.800 -0.133 0.000 0.893 251 D HN 0.253 nan 8.370 nan 0.000 0.528 252 T N -3.425 111.125 114.554 -0.007 0.000 3.144 252 T HA 0.083 4.434 4.350 0.002 0.000 0.290 252 T C 1.516 176.293 174.700 0.129 0.000 0.966 252 T CA -0.351 61.800 62.100 0.084 0.000 0.907 252 T CB -0.234 68.709 68.868 0.125 0.000 1.152 252 T HN 0.008 nan 8.240 nan 0.000 0.532 253 L N 1.197 122.473 121.223 0.089 0.000 2.064 253 L HA 0.001 4.342 4.340 0.002 0.000 0.216 253 L C 1.528 178.409 176.870 0.020 0.000 1.077 253 L CA 1.944 56.816 54.840 0.053 0.000 0.766 253 L CB -1.016 41.026 42.059 -0.029 0.000 0.890 253 L HN 0.335 nan 8.230 nan 0.000 0.435 254 F N -0.449 119.505 119.950 0.007 0.000 2.722 254 F HA 0.052 4.580 4.527 0.002 0.000 0.298 254 F C 2.197 178.034 175.800 0.062 0.000 1.175 254 F CA 0.907 58.925 58.000 0.031 0.000 1.462 254 F CB -0.721 38.287 39.000 0.013 0.000 1.111 254 F HN 0.221 nan 8.300 nan 0.000 0.592 255 G N -0.770 108.153 108.800 0.205 0.000 3.044 255 G HA2 0.323 4.284 3.960 0.002 0.000 0.223 255 G HA3 0.323 4.284 3.960 0.002 0.000 0.223 255 G C 0.541 175.492 174.900 0.085 0.000 1.123 255 G CA 0.257 45.450 45.100 0.155 0.000 0.765 255 G HN 0.301 nan 8.290 nan 0.000 0.546 256 A N 1.190 124.057 122.820 0.078 0.000 2.484 256 A HA 0.468 4.789 4.320 0.002 0.000 0.268 256 A C 1.431 179.056 177.584 0.068 0.000 1.114 256 A CA 0.809 52.864 52.037 0.031 0.000 0.780 256 A CB 0.103 19.168 19.000 0.110 0.000 1.061 256 A HN 0.363 nan 8.150 nan 0.000 0.505 257 T N -0.454 114.127 114.554 0.044 0.000 3.054 257 T HA 0.492 4.843 4.350 0.002 0.000 0.255 257 T C -0.013 174.902 174.700 0.358 0.000 1.035 257 T CA 0.417 62.635 62.100 0.197 0.000 0.941 257 T CB -0.669 68.349 68.868 0.250 0.000 1.026 257 T HN 1.283 nan 8.240 nan 0.000 0.533 258 F N -0.743 119.201 119.950 -0.009 0.000 2.799 258 F HA 0.675 5.203 4.527 0.002 0.000 0.316 258 F C -2.463 173.279 175.800 -0.097 0.000 1.155 258 F CA -2.021 55.961 58.000 -0.030 0.000 0.916 258 F CB 0.703 39.667 39.000 -0.060 0.000 1.294 258 F HN -0.151 nan 8.300 nan 0.000 0.447 259 L N 1.872 123.136 121.223 0.069 0.000 2.319 259 L HA 0.925 5.266 4.340 0.002 0.000 0.267 259 L C -1.074 175.801 176.870 0.008 0.000 1.011 259 L CA -1.538 53.213 54.840 -0.148 0.000 0.818 259 L CB 2.084 44.015 42.059 -0.214 0.000 1.316 259 L HN 0.606 nan 8.230 nan 0.000 0.432 260 V N 2.946 122.778 119.914 -0.137 0.000 2.569 260 V HA 0.412 4.533 4.120 0.002 0.000 0.301 260 V C -0.210 175.789 176.094 -0.159 0.000 1.044 260 V CA -0.402 61.820 62.300 -0.130 0.000 0.874 260 V CB 2.024 33.644 31.823 -0.340 0.000 1.002 260 V HN 0.498 nan 8.190 nan 0.000 0.424 261 L N 3.401 124.554 121.223 -0.117 0.000 2.360 261 L HA 0.796 5.137 4.340 0.002 0.000 0.271 261 L C 0.778 177.629 176.870 -0.032 0.000 1.057 261 L CA -0.616 54.157 54.840 -0.113 0.000 0.803 261 L CB 1.521 43.408 42.059 -0.286 0.000 1.207 261 L HN 0.728 nan 8.230 nan 0.000 0.445 262 A N 2.667 125.533 122.820 0.078 0.000 2.440 262 A HA 0.347 4.668 4.320 0.002 0.000 0.251 262 A C -1.701 175.920 177.584 0.063 0.000 1.089 262 A CA -1.154 50.936 52.037 0.088 0.000 0.779 262 A CB 0.180 19.296 19.000 0.193 0.000 1.022 262 A HN 0.599 nan 8.150 nan 0.000 0.492 263 P HA -0.223 nan 4.420 nan 0.000 0.217 263 P C 0.619 177.922 177.300 0.006 0.000 1.158 263 P CA 1.855 65.003 63.100 0.079 0.000 0.887 263 P CB 0.157 31.909 31.700 0.086 0.000 0.792 264 E N -2.819 117.362 120.200 -0.032 0.000 2.511 264 E HA -0.086 4.265 4.350 0.002 0.000 0.196 264 E C 0.818 177.167 176.600 -0.419 0.000 1.066 264 E CA 0.176 56.492 56.400 -0.139 0.000 0.871 264 E CB -0.950 28.725 29.700 -0.041 0.000 0.863 264 E HN 0.394 nan 8.360 nan 0.000 0.520 265 H N 0.705 119.476 119.070 -0.497 0.000 2.928 265 H HA 0.006 4.563 4.556 0.002 0.000 0.338 265 H C -1.700 173.403 175.328 -0.376 0.000 1.047 265 H CA -1.763 53.911 56.048 -0.624 0.000 1.435 265 H CB 1.094 30.669 29.762 -0.312 0.000 1.428 265 H HN -0.134 nan 8.280 nan 0.000 0.590 266 P HA -0.155 nan 4.420 nan 0.000 0.214 266 P C 1.652 179.001 177.300 0.082 0.000 1.163 266 P CA 1.371 64.481 63.100 0.017 0.000 0.889 266 P CB 0.159 31.848 31.700 -0.019 0.000 0.790 267 L N -1.557 119.769 121.223 0.171 0.000 2.633 267 L HA -0.080 4.261 4.340 0.002 0.000 0.235 267 L C 1.831 178.624 176.870 -0.128 0.000 1.163 267 L CA 0.996 55.807 54.840 -0.049 0.000 0.859 267 L CB -1.259 40.710 42.059 -0.150 0.000 0.973 267 L HN 0.057 nan 8.230 nan 0.000 0.451 268 T N -0.174 114.315 114.554 -0.107 0.000 2.915 268 T HA -0.038 4.313 4.350 0.002 0.000 0.269 268 T C 1.821 176.472 174.700 -0.081 0.000 1.071 268 T CA 1.059 63.096 62.100 -0.106 0.000 1.132 268 T CB 0.102 68.936 68.868 -0.058 0.000 0.878 268 T HN 0.294 nan 8.240 nan 0.000 0.479 269 L N -0.362 120.824 121.223 -0.061 0.000 2.577 269 L HA 0.303 4.644 4.340 0.002 0.000 0.225 269 L C 2.395 179.232 176.870 -0.055 0.000 1.053 269 L CA 0.330 55.136 54.840 -0.056 0.000 0.866 269 L CB -0.012 42.024 42.059 -0.039 0.000 1.132 269 L HN 0.143 nan 8.230 nan 0.000 0.486 270 E N 0.713 120.886 120.200 -0.046 0.000 2.409 270 E HA -0.117 4.234 4.350 0.002 0.000 0.198 270 E C 1.832 178.404 176.600 -0.047 0.000 1.024 270 E CA 0.708 57.085 56.400 -0.038 0.000 0.861 270 E CB 0.354 30.041 29.700 -0.022 0.000 0.788 270 E HN 0.470 nan 8.360 nan 0.000 0.521 271 L N -0.306 120.877 121.223 -0.067 0.000 2.717 271 L HA 0.318 4.659 4.340 0.002 0.000 0.239 271 L C 0.754 177.559 176.870 -0.108 0.000 1.086 271 L CA -0.094 54.700 54.840 -0.076 0.000 0.897 271 L CB 0.325 42.336 42.059 -0.080 0.000 1.214 271 L HN -0.030 nan 8.230 nan 0.000 0.508 272 A N 1.702 124.448 122.820 -0.124 0.000 2.553 272 A HA 0.355 4.676 4.320 0.002 0.000 0.258 272 A C 0.755 178.250 177.584 -0.148 0.000 1.069 272 A CA 0.266 52.205 52.037 -0.163 0.000 0.767 272 A CB -0.243 18.675 19.000 -0.136 0.000 0.997 272 A HN 0.284 nan 8.150 nan 0.000 0.512 273 A N 5.130 127.835 122.820 -0.191 0.000 2.540 273 A HA 0.435 4.756 4.320 0.002 0.000 0.239 273 A C -0.997 176.515 177.584 -0.119 0.000 1.061 273 A CA -0.737 51.211 52.037 -0.149 0.000 0.758 273 A CB -0.228 18.665 19.000 -0.179 0.000 0.991 273 A HN 0.649 nan 8.150 nan 0.000 0.502 274 P HA -0.150 nan 4.420 nan 0.000 0.220 274 P C 0.526 177.788 177.300 -0.064 0.000 1.144 274 P CA 1.544 64.605 63.100 -0.064 0.000 0.800 274 P CB 0.210 31.881 31.700 -0.049 0.000 0.772 275 E N -1.321 118.835 120.200 -0.074 0.000 2.442 275 E HA -0.002 4.349 4.350 0.002 0.000 0.195 275 E C 1.555 178.105 176.600 -0.084 0.000 1.030 275 E CA 0.616 56.977 56.400 -0.065 0.000 0.869 275 E CB -0.141 29.526 29.700 -0.055 0.000 0.857 275 E HN 0.174 nan 8.360 nan 0.000 0.505 276 K N -0.086 120.242 120.400 -0.121 0.000 2.370 276 K HA 0.180 4.501 4.320 0.002 0.000 0.194 276 K C 1.818 178.346 176.600 -0.121 0.000 1.070 276 K CA 0.029 56.225 56.287 -0.153 0.000 0.998 276 K CB 0.258 32.600 32.500 -0.264 0.000 0.911 276 K HN -0.100 nan 8.250 nan 0.000 0.533 277 R N 2.596 123.035 120.500 -0.101 0.000 2.133 277 R HA -0.200 4.141 4.340 0.002 0.000 0.245 277 R C 1.792 178.064 176.300 -0.047 0.000 1.137 277 R CA 2.163 58.219 56.100 -0.073 0.000 0.947 277 R CB -0.554 29.710 30.300 -0.060 0.000 0.865 277 R HN 0.314 nan 8.270 nan 0.000 0.437 278 E N -0.704 119.473 120.200 -0.038 0.000 2.501 278 E HA -0.218 4.133 4.350 0.002 0.000 0.203 278 E C 1.299 177.893 176.600 -0.009 0.000 1.072 278 E CA 1.271 57.659 56.400 -0.020 0.000 0.885 278 E CB 0.046 29.736 29.700 -0.017 0.000 0.813 278 E HN 0.594 nan 8.360 nan 0.000 0.556 279 E N -1.339 118.848 120.200 -0.022 0.000 2.367 279 E HA -0.021 4.330 4.350 0.002 0.000 0.204 279 E C 1.800 178.408 176.600 0.013 0.000 0.840 279 E CA 0.192 56.588 56.400 -0.005 0.000 1.051 279 E CB 0.462 30.138 29.700 -0.039 0.000 1.051 279 E HN 0.102 nan 8.360 nan 0.000 0.509 280 V N 2.007 121.904 119.914 -0.029 0.000 2.307 280 V HA -0.221 3.900 4.120 0.002 0.000 0.245 280 V C 2.471 178.599 176.094 0.056 0.000 1.045 280 V CA 1.624 63.917 62.300 -0.010 0.000 1.024 280 V CB -0.368 31.410 31.823 -0.074 0.000 0.651 280 V HN 0.356 nan 8.190 nan 0.000 0.449 281 L N 0.075 121.311 121.223 0.022 0.000 2.201 281 L HA -0.085 4.256 4.340 0.002 0.000 0.212 281 L C 2.307 179.205 176.870 0.047 0.000 1.105 281 L CA 1.541 56.396 54.840 0.025 0.000 0.775 281 L CB -0.342 41.718 42.059 0.002 0.000 0.913 281 L HN 0.313 nan 8.230 nan 0.000 0.440 282 A N -1.526 121.333 122.820 0.065 0.000 2.072 282 A HA -0.191 4.130 4.320 0.002 0.000 0.216 282 A C 1.987 179.642 177.584 0.118 0.000 1.156 282 A CA 0.832 52.914 52.037 0.074 0.000 0.701 282 A CB -0.638 18.403 19.000 0.069 0.000 0.816 282 A HN 0.616 nan 8.150 nan 0.000 0.458 283 Y N -0.117 120.191 120.300 0.012 0.000 2.314 283 Y HA -0.071 4.480 4.550 0.002 0.000 0.294 283 Y C 2.218 178.135 175.900 0.029 0.000 1.119 283 Y CA 1.428 59.545 58.100 0.029 0.000 1.179 283 Y CB 0.196 38.674 38.460 0.030 0.000 1.025 283 Y HN 0.092 nan 8.280 nan 0.000 0.541 284 V N 0.451 120.413 119.914 0.081 0.000 2.261 284 V HA -0.296 3.825 4.120 0.002 0.000 0.246 284 V C 1.806 177.879 176.094 -0.035 0.000 1.047 284 V CA 2.274 64.578 62.300 0.008 0.000 1.015 284 V CB -0.577 31.264 31.823 0.030 0.000 0.642 284 V HN 0.357 nan 8.190 nan 0.000 0.446 285 E N -0.210 119.983 120.200 -0.012 0.000 2.463 285 E HA -0.085 4.266 4.350 0.002 0.000 0.201 285 E C 2.007 178.587 176.600 -0.033 0.000 1.045 285 E CA 0.831 57.222 56.400 -0.015 0.000 0.872 285 E CB -0.102 29.597 29.700 -0.001 0.000 0.797 285 E HN 0.636 nan 8.360 nan 0.000 0.538 286 A N 0.614 123.388 122.820 -0.076 0.000 1.973 286 A HA 0.250 4.571 4.320 0.002 0.000 0.210 286 A C 2.218 179.724 177.584 -0.129 0.000 1.200 286 A CA 0.772 52.750 52.037 -0.098 0.000 0.707 286 A CB -0.031 18.891 19.000 -0.130 0.000 0.862 286 A HN 0.254 nan 8.150 nan 0.000 0.461 287 A N 0.298 122.998 122.820 -0.199 0.000 1.897 287 A HA -0.064 4.257 4.320 0.002 0.000 0.215 287 A C 2.084 179.641 177.584 -0.045 0.000 1.181 287 A CA 1.762 53.709 52.037 -0.150 0.000 0.620 287 A CB -0.408 18.476 19.000 -0.193 0.000 0.821 287 A HN 0.481 nan 8.150 nan 0.000 0.443 288 K N -0.329 120.053 120.400 -0.030 0.000 2.147 288 K HA -0.157 4.164 4.320 0.002 0.000 0.205 288 K C 2.196 178.808 176.600 0.020 0.000 1.049 288 K CA 1.595 57.889 56.287 0.011 0.000 0.936 288 K CB -0.143 32.363 32.500 0.010 0.000 0.722 288 K HN 0.407 nan 8.250 nan 0.000 0.446 289 R N 0.953 121.456 120.500 0.004 0.000 2.161 289 R HA 0.019 4.360 4.340 0.002 0.000 0.213 289 R C 0.606 176.922 176.300 0.025 0.000 1.055 289 R CA 0.435 56.543 56.100 0.014 0.000 0.996 289 R CB 0.139 30.442 30.300 0.004 0.000 0.901 289 R HN -0.031 nan 8.270 nan 0.000 0.456 290 K N 0.498 120.908 120.400 0.015 0.000 2.187 290 K HA 0.001 4.322 4.320 0.002 0.000 0.247 290 K C -0.422 176.209 176.600 0.051 0.000 1.019 290 K CA 0.609 56.913 56.287 0.028 0.000 0.893 290 K CB 0.680 33.188 32.500 0.013 0.000 1.025 290 K HN 0.170 nan 8.250 nan 0.000 0.500 291 T N -1.777 112.814 114.554 0.061 0.000 2.742 291 T HA 0.255 4.606 4.350 0.002 0.000 0.282 291 T C 0.694 175.443 174.700 0.081 0.000 1.025 291 T CA -0.902 61.245 62.100 0.079 0.000 1.020 291 T CB 1.071 69.990 68.868 0.085 0.000 1.317 291 T HN 0.497 nan 8.240 nan 0.000 0.538 292 E N 0.315 120.570 120.200 0.091 0.000 2.047 292 E HA 0.004 4.355 4.350 0.002 0.000 0.191 292 E C 2.071 178.721 176.600 0.082 0.000 0.987 292 E CA 1.118 57.573 56.400 0.091 0.000 0.799 292 E CB -0.427 29.335 29.700 0.102 0.000 0.752 292 E HN 0.657 nan 8.360 nan 0.000 0.449 293 I N 1.164 121.782 120.570 0.081 0.000 2.493 293 I HA -0.217 3.954 4.170 0.002 0.000 0.254 293 I C 2.096 178.252 176.117 0.065 0.000 1.160 293 I CA 1.023 62.367 61.300 0.072 0.000 1.445 293 I CB -0.265 37.777 38.000 0.071 0.000 1.086 293 I HN 0.080 nan 8.210 nan 0.000 0.433 294 E N 0.782 121.022 120.200 0.066 0.000 2.060 294 E HA -0.092 4.259 4.350 0.002 0.000 0.189 294 E C 2.319 178.958 176.600 0.064 0.000 0.974 294 E CA 0.538 56.974 56.400 0.060 0.000 0.808 294 E CB -0.013 29.721 29.700 0.056 0.000 0.768 294 E HN 0.416 nan 8.360 nan 0.000 0.453 295 R N 0.862 121.404 120.500 0.070 0.000 2.083 295 R HA -0.116 4.225 4.340 0.002 0.000 0.237 295 R C 2.207 178.553 176.300 0.077 0.000 1.137 295 R CA 1.123 57.269 56.100 0.077 0.000 0.951 295 R CB -0.137 30.212 30.300 0.083 0.000 0.851 295 R HN 0.140 nan 8.270 nan 0.000 0.434 296 Q N -0.190 119.653 119.800 0.072 0.000 2.500 296 Q HA 0.001 4.342 4.340 0.002 0.000 0.213 296 Q C 1.621 177.658 176.000 0.060 0.000 0.974 296 Q CA 1.015 56.858 55.803 0.066 0.000 0.918 296 Q CB 0.226 29.002 28.738 0.064 0.000 0.980 296 Q HN 0.357 nan 8.270 nan 0.000 0.505 297 A N 0.622 123.478 122.820 0.061 0.000 2.030 297 A HA -0.052 4.269 4.320 0.002 0.000 0.215 297 A C 1.789 179.407 177.584 0.057 0.000 1.164 297 A CA 0.403 52.473 52.037 0.055 0.000 0.697 297 A CB 0.099 19.130 19.000 0.053 0.000 0.827 297 A HN 0.282 nan 8.150 nan 0.000 0.457 298 E N -0.715 119.525 120.200 0.066 0.000 2.299 298 E HA 0.308 4.659 4.350 0.002 0.000 0.193 298 E C 1.290 177.933 176.600 0.071 0.000 0.998 298 E CA 0.275 56.719 56.400 0.072 0.000 0.851 298 E CB -0.052 29.702 29.700 0.089 0.000 0.795 298 E HN 0.648 nan 8.360 nan 0.000 0.492 299 G N 2.101 110.942 108.800 0.069 0.000 2.481 299 G HA2 -0.342 3.619 3.960 0.002 0.000 0.230 299 G HA3 -0.342 3.619 3.960 0.002 0.000 0.230 299 G C 0.215 175.158 174.900 0.072 0.000 1.210 299 G CA -0.029 45.108 45.100 0.062 0.000 0.936 299 G HN 0.305 nan 8.290 nan 0.000 0.583 300 R N 0.429 120.968 120.500 0.064 0.000 2.466 300 R HA 0.399 4.740 4.340 0.002 0.000 0.279 300 R C -0.081 176.268 176.300 0.082 0.000 0.976 300 R CA -0.104 56.036 56.100 0.066 0.000 1.081 300 R CB 0.303 30.629 30.300 0.043 0.000 1.215 300 R HN 0.336 nan 8.270 nan 0.000 0.546 301 E N 2.437 122.694 120.200 0.097 0.000 2.292 301 E HA 0.022 4.373 4.350 0.002 0.000 0.265 301 E C -0.659 176.052 176.600 0.185 0.000 1.093 301 E CA 0.269 56.737 56.400 0.114 0.000 0.922 301 E CB 0.772 30.534 29.700 0.104 0.000 1.001 301 E HN 0.048 nan 8.360 nan 0.000 0.444 302 K N 1.627 122.155 120.400 0.213 0.000 2.401 302 K HA 0.172 4.493 4.320 0.002 0.000 0.278 302 K C -0.337 176.575 176.600 0.520 0.000 1.018 302 K CA 0.343 56.862 56.287 0.387 0.000 0.981 302 K CB 0.762 33.523 32.500 0.436 0.000 0.933 302 K HN 0.226 nan 8.250 nan 0.000 0.477 303 T N 1.070 116.003 114.554 0.631 0.000 3.109 303 T HA 0.663 5.014 4.350 0.002 0.000 0.311 303 T C -0.522 174.504 174.700 0.544 0.000 1.011 303 T CA -0.862 61.617 62.100 0.632 0.000 1.026 303 T CB 1.654 70.835 68.868 0.522 0.000 1.047 303 T HN 0.647 nan 8.240 nan 0.000 0.448 304 G N 1.006 109.894 108.800 0.146 0.000 2.749 304 G HA2 0.776 4.737 3.960 0.002 0.000 0.300 304 G HA3 0.776 4.737 3.960 0.002 0.000 0.300 304 G C -1.869 172.825 174.900 -0.344 0.000 1.352 304 G CA -0.628 44.428 45.100 -0.073 0.000 0.789 304 G HN 0.718 nan 8.290 nan 0.000 0.509 305 V N -0.033 119.744 119.914 -0.227 0.000 2.971 305 V HA 0.525 4.646 4.120 0.002 0.000 0.309 305 V C -1.408 174.426 176.094 -0.433 0.000 1.130 305 V CA -0.763 61.334 62.300 -0.339 0.000 0.964 305 V CB 2.136 33.673 31.823 -0.478 0.000 1.029 305 V HN 0.751 nan 8.190 nan 0.000 0.427 306 F N 3.237 122.482 119.950 -1.175 0.000 2.420 306 F HA 0.467 4.996 4.527 0.002 0.000 0.352 306 F C 0.882 176.268 175.800 -0.690 0.000 1.108 306 F CA -0.864 56.234 58.000 -1.504 0.000 1.162 306 F CB 0.865 38.843 39.000 -1.702 0.000 1.118 306 F HN 0.405 nan 8.300 nan 0.000 0.510 307 L N 5.305 126.026 121.223 -0.836 0.000 2.465 307 L HA 0.079 4.420 4.340 0.002 0.000 0.224 307 L C 1.628 177.920 176.870 -0.963 0.000 1.145 307 L CA 0.825 55.247 54.840 -0.697 0.000 0.834 307 L CB -0.920 40.923 42.059 -0.359 0.000 0.944 307 L HN 1.047 nan 8.230 nan 0.000 0.451 308 G N 0.443 108.003 108.800 -2.067 0.000 2.198 308 G HA2 -0.202 3.759 3.960 0.002 0.000 0.260 308 G HA3 -0.202 3.759 3.960 0.002 0.000 0.260 308 G C 0.118 174.735 174.900 -0.471 0.000 1.025 308 G CA 0.305 44.635 45.100 -1.284 0.000 0.769 308 G HN 0.585 nan 8.290 nan 0.000 0.507 309 A N -1.246 121.371 122.820 -0.340 0.000 2.527 309 A HA 0.940 5.261 4.320 0.002 0.000 0.293 309 A C -0.931 176.867 177.584 0.357 0.000 1.117 309 A CA -0.847 51.254 52.037 0.107 0.000 0.723 309 A CB 1.462 20.452 19.000 -0.017 0.000 1.313 309 A HN 0.725 nan 8.150 nan 0.000 0.411 310 Y N -0.921 119.446 120.300 0.113 0.000 2.630 310 Y HA 0.799 5.350 4.550 0.002 0.000 0.337 310 Y C 0.564 176.542 175.900 0.130 0.000 1.051 310 Y CA -0.420 57.779 58.100 0.165 0.000 1.121 310 Y CB 2.127 40.675 38.460 0.147 0.000 1.299 310 Y HN 1.052 nan 8.280 nan 0.000 0.498 311 A N 0.947 123.948 122.820 0.301 0.000 2.485 311 A HA 0.828 5.149 4.320 0.002 0.000 0.292 311 A C -2.158 175.574 177.584 0.245 0.000 1.147 311 A CA -0.716 51.470 52.037 0.248 0.000 0.750 311 A CB 1.451 20.605 19.000 0.257 0.000 1.331 311 A HN 0.522 nan 8.150 nan 0.000 0.419 312 L N 2.336 123.676 121.223 0.194 0.000 2.298 312 L HA 0.330 4.671 4.340 0.002 0.000 0.284 312 L C -0.066 176.811 176.870 0.011 0.000 1.013 312 L CA -0.443 54.462 54.840 0.108 0.000 0.824 312 L CB 1.049 43.139 42.059 0.050 0.000 1.221 312 L HN 0.836 nan 8.230 nan 0.000 0.418 313 N N 6.906 125.609 118.700 0.004 0.000 2.427 313 N HA 0.050 4.791 4.740 0.002 0.000 0.269 313 N C -1.567 173.756 175.510 -0.311 0.000 1.235 313 N CA -0.982 51.954 53.050 -0.190 0.000 0.934 313 N CB 1.295 39.751 38.487 -0.052 0.000 1.121 313 N HN 0.349 nan 8.380 nan 0.000 0.480 314 P HA -0.057 nan 4.420 nan 0.000 0.236 314 P C 0.317 177.519 177.300 -0.164 0.000 1.172 314 P CA 0.543 63.458 63.100 -0.309 0.000 0.759 314 P CB 0.359 31.830 31.700 -0.382 0.000 0.843 315 A N 0.733 123.350 122.820 -0.338 0.000 1.941 315 A HA 0.024 4.346 4.320 0.002 0.000 0.214 315 A C 2.237 179.570 177.584 -0.419 0.000 1.368 315 A CA 1.622 53.294 52.037 -0.608 0.000 0.651 315 A CB -1.272 16.855 19.000 -1.456 0.000 1.064 315 A HN 0.277 nan 8.150 nan 0.000 0.492 316 T N -4.093 110.262 114.554 -0.332 0.000 3.014 316 T HA 0.363 4.714 4.350 0.002 0.000 0.263 316 T C 1.588 176.296 174.700 0.014 0.000 1.078 316 T CA 1.431 63.513 62.100 -0.030 0.000 1.135 316 T CB 0.108 68.997 68.868 0.034 0.000 0.895 316 T HN 1.823 nan 8.240 nan 0.000 0.480 317 G N 1.900 110.683 108.800 -0.029 0.000 2.241 317 G HA2 -0.270 3.691 3.960 0.002 0.000 0.244 317 G HA3 -0.270 3.691 3.960 0.002 0.000 0.244 317 G C 0.056 174.972 174.900 0.027 0.000 0.998 317 G CA 0.201 45.303 45.100 0.003 0.000 0.621 317 G HN 0.969 nan 8.290 nan 0.000 0.519 318 E N 0.633 120.859 120.200 0.044 0.000 2.435 318 E HA 0.578 4.929 4.350 0.002 0.000 0.254 318 E C 0.273 176.938 176.600 0.108 0.000 1.289 318 E CA -0.515 55.930 56.400 0.076 0.000 0.983 318 E CB 0.572 30.323 29.700 0.085 0.000 1.010 318 E HN 0.478 nan 8.360 nan 0.000 0.509 319 R N 0.324 120.915 120.500 0.152 0.000 2.486 319 R HA 0.549 4.890 4.340 0.002 0.000 0.286 319 R C -0.292 176.155 176.300 0.245 0.000 0.999 319 R CA -0.506 55.736 56.100 0.236 0.000 0.993 319 R CB 0.873 31.364 30.300 0.319 0.000 1.084 319 R HN 0.586 nan 8.270 nan 0.000 0.487 320 I N -1.410 119.305 120.570 0.243 0.000 2.571 320 I HA 0.502 4.673 4.170 0.002 0.000 0.289 320 I C -2.677 173.481 176.117 0.067 0.000 1.115 320 I CA -2.953 58.446 61.300 0.166 0.000 1.045 320 I CB 2.562 40.688 38.000 0.210 0.000 1.238 320 I HN 0.403 nan 8.210 nan 0.000 0.424 321 P HA 0.178 nan 4.420 nan 0.000 0.267 321 P C -0.706 176.745 177.300 0.251 0.000 1.201 321 P CA 0.284 63.273 63.100 -0.185 0.000 0.775 321 P CB 1.187 32.631 31.700 -0.427 0.000 0.854 322 I N 1.613 122.406 120.570 0.371 0.000 2.382 322 I HA 0.306 4.477 4.170 0.002 0.000 0.286 322 I C -0.056 176.309 176.117 0.413 0.000 1.002 322 I CA -0.495 61.000 61.300 0.326 0.000 1.135 322 I CB 0.799 38.874 38.000 0.125 0.000 1.288 322 I HN 0.320 nan 8.210 nan 0.000 0.448 323 W N 3.499 124.875 121.300 0.126 0.000 2.941 323 W HA 0.621 5.283 4.660 0.002 0.000 0.352 323 W C 0.270 176.761 176.519 -0.046 0.000 1.368 323 W CA -0.728 56.670 57.345 0.087 0.000 1.232 323 W CB 1.095 30.616 29.460 0.103 0.000 1.586 323 W HN 0.161 nan 8.180 nan 0.000 0.649 324 T N 0.747 115.420 114.554 0.199 0.000 3.050 324 T HA 0.719 5.070 4.350 0.002 0.000 0.310 324 T C -1.224 173.524 174.700 0.080 0.000 0.978 324 T CA -0.334 61.802 62.100 0.059 0.000 1.013 324 T CB -0.075 68.805 68.868 0.019 0.000 1.000 324 T HN 0.596 nan 8.240 nan 0.000 0.447 325 A N 3.399 126.231 122.820 0.021 0.000 2.430 325 A HA 0.702 5.023 4.320 0.002 0.000 0.300 325 A C 0.650 178.314 177.584 0.133 0.000 1.124 325 A CA -0.622 51.487 52.037 0.120 0.000 0.766 325 A CB 1.294 20.249 19.000 -0.074 0.000 1.328 325 A HN 0.853 nan 8.150 nan 0.000 0.424 326 D N -1.044 119.526 120.400 0.284 0.000 2.348 326 D HA -0.117 4.524 4.640 0.002 0.000 0.211 326 D C 0.908 177.317 176.300 0.182 0.000 0.998 326 D CA 1.220 55.336 54.000 0.193 0.000 0.873 326 D CB -0.460 40.447 40.800 0.177 0.000 0.925 326 D HN 0.633 nan 8.370 nan 0.000 0.524 327 Y N 0.325 120.703 120.300 0.131 0.000 2.616 327 Y HA 0.298 4.849 4.550 0.002 0.000 0.296 327 Y C -0.099 175.839 175.900 0.063 0.000 1.154 327 Y CA -0.527 57.629 58.100 0.094 0.000 1.325 327 Y CB -0.323 38.194 38.460 0.095 0.000 1.007 327 Y HN -0.183 nan 8.280 nan 0.000 0.542 328 V N 3.531 123.332 119.914 -0.188 0.000 2.435 328 V HA 0.289 4.410 4.120 0.002 0.000 0.290 328 V C -0.140 175.978 176.094 0.040 0.000 1.030 328 V CA -1.174 61.041 62.300 -0.141 0.000 0.881 328 V CB 1.627 33.252 31.823 -0.329 0.000 0.983 328 V HN 0.178 nan 8.190 nan 0.000 0.445 329 L N 4.236 125.529 121.223 0.116 0.000 2.307 329 L HA 0.411 4.752 4.340 0.002 0.000 0.282 329 L C 0.855 177.855 176.870 0.218 0.000 1.051 329 L CA -0.401 54.535 54.840 0.159 0.000 0.804 329 L CB 0.853 42.994 42.059 0.138 0.000 1.197 329 L HN 0.635 nan 8.230 nan 0.000 0.431 330 F N 2.364 122.348 119.950 0.057 0.000 2.234 330 F HA 0.106 4.634 4.527 0.002 0.000 0.296 330 F C 1.905 177.716 175.800 0.018 0.000 1.089 330 F CA 0.755 58.769 58.000 0.024 0.000 1.343 330 F CB -0.129 38.875 39.000 0.008 0.000 1.040 330 F HN 0.523 nan 8.300 nan 0.000 0.498 331 G N -0.913 107.810 108.800 -0.128 0.000 3.186 331 G HA2 -0.081 3.880 3.960 0.002 0.000 0.214 331 G HA3 -0.081 3.880 3.960 0.002 0.000 0.214 331 G C -0.699 174.154 174.900 -0.078 0.000 1.222 331 G CA 0.265 45.234 45.100 -0.217 0.000 0.921 331 G HN 0.444 nan 8.290 nan 0.000 0.504 332 Y N -1.129 119.051 120.300 -0.201 0.000 2.441 332 Y HA 0.442 4.993 4.550 0.002 0.000 0.334 332 Y C 0.975 176.790 175.900 -0.142 0.000 1.061 332 Y CA -0.007 57.998 58.100 -0.159 0.000 1.032 332 Y CB 1.310 39.709 38.460 -0.101 0.000 1.266 332 Y HN 0.445 nan 8.280 nan 0.000 0.441 333 G N 3.140 111.258 108.800 -1.136 0.000 2.846 333 G HA2 -0.425 3.536 3.960 0.002 0.000 0.317 333 G HA3 -0.425 3.536 3.960 0.002 0.000 0.317 333 G C 0.788 175.459 174.900 -0.382 0.000 1.210 333 G CA 1.488 46.066 45.100 -0.871 0.000 0.972 333 G HN 1.524 nan 8.290 nan 0.000 0.567 334 T N -2.428 112.025 114.554 -0.169 0.000 3.058 334 T HA 0.522 4.873 4.350 0.002 0.000 0.278 334 T C 2.408 177.176 174.700 0.114 0.000 0.974 334 T CA 1.527 63.612 62.100 -0.026 0.000 0.893 334 T CB 0.754 69.648 68.868 0.043 0.000 1.138 334 T HN 2.689 nan 8.240 nan 0.000 0.529 335 G N 1.253 110.127 108.800 0.124 0.000 2.168 335 G HA2 0.059 4.020 3.960 0.002 0.000 0.263 335 G HA3 0.059 4.020 3.960 0.002 0.000 0.263 335 G C 0.234 175.300 174.900 0.276 0.000 0.977 335 G CA -0.013 45.277 45.100 0.317 0.000 0.659 335 G HN 1.448 nan 8.290 nan 0.000 0.533 336 A N -0.570 122.348 122.820 0.162 0.000 2.498 336 A HA 0.960 5.281 4.320 0.002 0.000 0.298 336 A C -0.303 177.259 177.584 -0.036 0.000 1.075 336 A CA -0.272 51.794 52.037 0.049 0.000 0.714 336 A CB 1.580 20.612 19.000 0.053 0.000 1.299 336 A HN 1.753 nan 8.150 nan 0.000 0.407 337 I N -1.520 118.965 120.570 -0.142 0.000 2.994 337 I HA 0.695 4.866 4.170 0.002 0.000 0.306 337 I C -0.648 175.269 176.117 -0.333 0.000 1.195 337 I CA -1.355 59.836 61.300 -0.182 0.000 1.001 337 I CB 2.383 40.304 38.000 -0.133 0.000 1.244 337 I HN 0.718 nan 8.210 nan 0.000 0.437 338 M N 2.970 122.361 119.600 -0.347 0.000 2.152 338 M HA 0.754 5.235 4.480 0.002 0.000 0.354 338 M C -0.104 175.974 176.300 -0.370 0.000 1.173 338 M CA -0.404 54.627 55.300 -0.448 0.000 1.110 338 M CB 1.033 33.418 32.600 -0.357 0.000 1.366 338 M HN 0.676 nan 8.290 nan 0.000 0.415 339 A N 2.933 125.400 122.820 -0.588 0.000 2.546 339 A HA 0.425 4.746 4.320 0.002 0.000 0.243 339 A C 0.276 177.553 177.584 -0.511 0.000 1.063 339 A CA -0.271 51.314 52.037 -0.754 0.000 0.757 339 A CB 0.055 17.905 19.000 -1.916 0.000 0.991 339 A HN 0.833 nan 8.150 nan 0.000 0.503 340 V N 5.354 125.111 119.914 -0.262 0.000 2.468 340 V HA 0.147 4.268 4.120 0.002 0.000 0.256 340 V C -1.873 174.182 176.094 -0.066 0.000 0.998 340 V CA -0.591 61.641 62.300 -0.113 0.000 1.114 340 V CB 0.804 32.621 31.823 -0.010 0.000 1.378 340 V HN 0.750 nan 8.190 nan 0.000 0.573 341 P HA -0.307 nan 4.420 nan 0.000 0.219 341 P C 1.693 179.041 177.300 0.080 0.000 1.151 341 P CA 2.237 65.375 63.100 0.063 0.000 0.850 341 P CB 0.304 32.038 31.700 0.056 0.000 0.784 342 A N -1.664 121.088 122.820 -0.114 0.000 2.067 342 A HA -0.146 4.175 4.320 0.002 0.000 0.219 342 A C 0.952 178.214 177.584 -0.535 0.000 1.158 342 A CA 1.302 53.133 52.037 -0.343 0.000 0.661 342 A CB -0.817 17.814 19.000 -0.615 0.000 0.801 342 A HN 0.285 nan 8.150 nan 0.000 0.452 343 H N -1.083 118.058 119.070 0.118 0.000 2.779 343 H HA 0.328 4.885 4.556 0.002 0.000 0.230 343 H C -1.375 173.967 175.328 0.024 0.000 1.365 343 H CA -0.308 55.778 56.048 0.063 0.000 1.086 343 H CB 0.219 29.998 29.762 0.029 0.000 2.038 343 H HN 0.401 nan 8.280 nan 0.000 0.558 344 D N 1.190 121.651 120.400 0.103 0.000 2.229 344 D HA -0.044 4.597 4.640 0.002 0.000 0.209 344 D C 1.018 177.369 176.300 0.085 0.000 1.295 344 D CA -0.136 53.904 54.000 0.066 0.000 0.913 344 D CB 1.082 41.909 40.800 0.045 0.000 1.581 344 D HN 0.010 nan 8.370 nan 0.000 0.502 345 Q N 2.985 122.814 119.800 0.047 0.000 2.065 345 Q HA -0.252 4.089 4.340 0.002 0.000 0.213 345 Q C 1.740 177.794 176.000 0.090 0.000 1.012 345 Q CA 2.519 58.349 55.803 0.046 0.000 0.876 345 Q CB 0.091 28.817 28.738 -0.020 0.000 0.954 345 Q HN 0.584 nan 8.270 nan 0.000 0.413 346 R N 0.035 120.538 120.500 0.005 0.000 2.154 346 R HA -0.214 4.127 4.340 0.002 0.000 0.236 346 R C 2.019 178.280 176.300 -0.066 0.000 1.121 346 R CA 1.743 57.780 56.100 -0.104 0.000 0.915 346 R CB -0.902 29.287 30.300 -0.185 0.000 0.856 346 R HN 0.404 nan 8.270 nan 0.000 0.431 347 D N -0.119 120.282 120.400 0.002 0.000 2.103 347 D HA -0.221 4.420 4.640 0.002 0.000 0.190 347 D C 1.743 178.182 176.300 0.232 0.000 0.997 347 D CA 1.388 55.456 54.000 0.114 0.000 0.833 347 D CB -0.780 40.034 40.800 0.023 0.000 0.961 347 D HN 0.233 nan 8.370 nan 0.000 0.447 348 Y N 1.986 122.327 120.300 0.068 0.000 2.002 348 Y HA -0.327 4.224 4.550 0.002 0.000 0.268 348 Y C 2.188 178.134 175.900 0.076 0.000 1.177 348 Y CA 2.368 60.507 58.100 0.065 0.000 1.111 348 Y CB -0.438 38.035 38.460 0.022 0.000 0.952 348 Y HN 0.050 nan 8.280 nan 0.000 0.491 349 E N -0.854 119.591 120.200 0.408 0.000 2.070 349 E HA -0.289 4.062 4.350 0.002 0.000 0.197 349 E C 2.112 178.784 176.600 0.120 0.000 1.004 349 E CA 1.596 58.147 56.400 0.253 0.000 0.805 349 E CB -0.663 29.144 29.700 0.178 0.000 0.744 349 E HN 0.587 nan 8.360 nan 0.000 0.451 350 F N 1.305 121.274 119.950 0.031 0.000 2.202 350 F HA -0.212 4.316 4.527 0.002 0.000 0.301 350 F C 2.169 177.994 175.800 0.043 0.000 1.082 350 F CA 1.341 59.404 58.000 0.105 0.000 1.313 350 F CB -0.107 38.987 39.000 0.157 0.000 1.024 350 F HN -0.046 nan 8.300 nan 0.000 0.495 351 A N 0.447 123.340 122.820 0.121 0.000 1.854 351 A HA -0.136 4.185 4.320 0.002 0.000 0.214 351 A C 2.366 179.779 177.584 -0.285 0.000 1.192 351 A CA 1.231 53.197 52.037 -0.118 0.000 0.611 351 A CB -0.747 18.240 19.000 -0.021 0.000 0.832 351 A HN 0.315 nan 8.150 nan 0.000 0.442 352 R N -0.325 119.982 120.500 -0.322 0.000 2.193 352 R HA -0.113 4.228 4.340 0.002 0.000 0.229 352 R C 2.112 178.253 176.300 -0.265 0.000 1.110 352 R CA 1.596 57.518 56.100 -0.296 0.000 0.988 352 R CB -0.186 29.953 30.300 -0.267 0.000 0.871 352 R HN 0.643 nan 8.270 nan 0.000 0.458 353 K N -0.621 119.585 120.400 -0.322 0.000 2.044 353 K HA -0.038 4.283 4.320 0.002 0.000 0.204 353 K C 0.444 176.623 176.600 -0.701 0.000 1.045 353 K CA 0.896 56.884 56.287 -0.499 0.000 0.951 353 K CB 0.129 32.274 32.500 -0.592 0.000 0.738 353 K HN -0.024 nan 8.250 nan 0.000 0.443 354 F N 1.370 120.995 119.950 -0.541 0.000 2.974 354 F HA 0.286 4.814 4.527 0.002 0.000 0.292 354 F C 0.810 176.363 175.800 -0.412 0.000 1.209 354 F CA -0.046 57.651 58.000 -0.505 0.000 1.366 354 F CB 0.439 38.883 39.000 -0.927 0.000 1.033 354 F HN 0.233 nan 8.300 nan 0.000 0.516 355 G N 1.499 110.166 108.800 -0.222 0.000 2.450 355 G HA2 -0.306 3.655 3.960 0.002 0.000 0.302 355 G HA3 -0.306 3.655 3.960 0.002 0.000 0.302 355 G C 0.090 174.868 174.900 -0.203 0.000 0.957 355 G CA 0.106 45.101 45.100 -0.175 0.000 1.005 355 G HN 0.432 nan 8.290 nan 0.000 0.514 356 L N -0.485 120.549 121.223 -0.314 0.000 2.360 356 L HA 0.477 4.818 4.340 0.002 0.000 0.271 356 L C -1.736 175.021 176.870 -0.189 0.000 1.057 356 L CA -2.402 52.224 54.840 -0.356 0.000 0.803 356 L CB 1.344 42.941 42.059 -0.770 0.000 1.207 356 L HN -0.081 nan 8.230 nan 0.000 0.445 357 P HA 0.284 nan 4.420 nan 0.000 0.275 357 P C -1.009 176.303 177.300 0.020 0.000 1.228 357 P CA -0.011 63.074 63.100 -0.025 0.000 0.786 357 P CB 0.635 32.343 31.700 0.013 0.000 0.927 358 I N 2.117 122.680 120.570 -0.012 0.000 2.411 358 I HA 0.351 4.522 4.170 0.002 0.000 0.284 358 I C 0.286 176.406 176.117 0.006 0.000 1.012 358 I CA -0.642 60.650 61.300 -0.013 0.000 1.119 358 I CB 1.435 39.392 38.000 -0.072 0.000 1.261 358 I HN 0.146 nan 8.210 nan 0.000 0.448 359 K N 6.759 127.169 120.400 0.017 0.000 2.206 359 K HA 0.396 4.717 4.320 0.002 0.000 0.264 359 K C -0.599 176.017 176.600 0.026 0.000 0.967 359 K CA -0.787 55.523 56.287 0.039 0.000 0.844 359 K CB 1.539 34.084 32.500 0.075 0.000 1.099 359 K HN 0.463 nan 8.250 nan 0.000 0.441 360 K N 3.301 123.737 120.400 0.059 0.000 2.234 360 K HA 0.170 4.491 4.320 0.002 0.000 0.282 360 K C 0.171 176.896 176.600 0.208 0.000 1.039 360 K CA -0.365 55.993 56.287 0.120 0.000 0.928 360 K CB 0.953 33.519 32.500 0.111 0.000 1.039 360 K HN 0.476 nan 8.250 nan 0.000 0.470 361 V N 1.831 121.987 119.914 0.404 0.000 3.392 361 V HA 0.366 4.487 4.120 0.002 0.000 0.294 361 V C -0.362 175.811 176.094 0.131 0.000 1.561 361 V CA -0.527 61.923 62.300 0.249 0.000 1.056 361 V CB 0.500 32.467 31.823 0.240 0.000 0.882 361 V HN 0.516 nan 8.190 nan 0.000 0.440 362 I N 2.116 122.758 120.570 0.119 0.000 2.476 362 I HA 0.593 4.764 4.170 0.002 0.000 0.281 362 I C -0.369 175.815 176.117 0.110 0.000 1.040 362 I CA -0.256 61.002 61.300 -0.070 0.000 1.094 362 I CB 1.505 39.206 38.000 -0.499 0.000 1.219 362 I HN 0.254 nan 8.210 nan 0.000 0.450 363 E N 5.590 125.830 120.200 0.066 0.000 2.313 363 E HA 0.278 4.629 4.350 0.002 0.000 0.272 363 E C -0.040 176.572 176.600 0.019 0.000 1.038 363 E CA -0.434 55.978 56.400 0.021 0.000 0.863 363 E CB 1.099 30.799 29.700 -0.001 0.000 1.060 363 E HN 0.414 nan 8.360 nan 0.000 0.402 364 R N 4.388 124.795 120.500 -0.156 0.000 2.340 364 R HA 0.263 4.604 4.340 0.002 0.000 0.300 364 R C -2.126 174.148 176.300 -0.045 0.000 1.069 364 R CA -1.686 54.317 56.100 -0.162 0.000 0.984 364 R CB 0.410 30.401 30.300 -0.515 0.000 1.003 364 R HN 0.392 nan 8.270 nan 0.000 0.459 365 P HA 0.033 nan 4.420 nan 0.000 0.262 365 P C 0.267 177.565 177.300 -0.004 0.000 1.199 365 P CA 1.028 64.136 63.100 0.014 0.000 0.763 365 P CB 1.073 32.793 31.700 0.033 0.000 0.790 366 G N 3.498 112.290 108.800 -0.012 0.000 3.487 366 G HA2 -0.267 3.694 3.960 0.002 0.000 0.295 366 G HA3 -0.267 3.694 3.960 0.002 0.000 0.295 366 G C 0.093 174.977 174.900 -0.028 0.000 1.454 366 G CA -0.388 44.703 45.100 -0.016 0.000 1.039 366 G HN 0.538 nan 8.290 nan 0.000 0.624 367 E N 3.813 123.993 120.200 -0.032 0.000 2.406 367 E HA 0.300 4.651 4.350 0.002 0.000 0.247 367 E C -1.827 174.730 176.600 -0.072 0.000 1.160 367 E CA -0.934 55.440 56.400 -0.045 0.000 0.950 367 E CB 0.313 29.988 29.700 -0.042 0.000 0.993 367 E HN 0.187 nan 8.360 nan 0.000 0.472 368 P HA -0.041 nan 4.420 nan 0.000 0.269 368 P C -0.199 177.039 177.300 -0.102 0.000 1.211 368 P CA 0.152 63.208 63.100 -0.074 0.000 0.781 368 P CB 0.508 32.180 31.700 -0.047 0.000 0.877 369 L N 3.926 125.078 121.223 -0.118 0.000 2.290 369 L HA 0.273 4.614 4.340 0.002 0.000 0.284 369 L C -1.564 175.265 176.870 -0.069 0.000 1.078 369 L CA -1.911 52.849 54.840 -0.134 0.000 0.815 369 L CB 0.463 42.426 42.059 -0.160 0.000 1.162 369 L HN 0.293 nan 8.230 nan 0.000 0.435 370 P HA -0.020 nan 4.420 nan 0.000 0.260 370 P C -0.740 176.553 177.300 -0.011 0.000 1.207 370 P CA -0.044 63.038 63.100 -0.029 0.000 0.780 370 P CB 0.722 32.406 31.700 -0.026 0.000 0.789 371 E N 5.404 125.600 120.200 -0.006 0.000 2.174 371 E HA 0.365 4.716 4.350 0.002 0.000 0.282 371 E C -1.770 174.834 176.600 0.007 0.000 0.992 371 E CA -2.113 54.290 56.400 0.005 0.000 0.803 371 E CB 0.354 30.056 29.700 0.004 0.000 1.090 371 E HN 0.392 nan 8.360 nan 0.000 0.396 372 P HA 0.243 nan 4.420 nan 0.000 0.279 372 P C -0.899 176.426 177.300 0.043 0.000 1.252 372 P CA -0.673 62.443 63.100 0.027 0.000 0.811 372 P CB 0.793 32.507 31.700 0.024 0.000 1.035 373 L N 1.481 122.746 121.223 0.070 0.000 2.456 373 L HA 0.064 4.405 4.340 0.002 0.000 0.272 373 L C 1.413 178.386 176.870 0.171 0.000 1.189 373 L CA 1.053 55.957 54.840 0.107 0.000 0.846 373 L CB -0.110 42.042 42.059 0.155 0.000 1.111 373 L HN 0.486 nan 8.230 nan 0.000 0.475 374 E N 3.179 123.443 120.200 0.107 0.000 2.714 374 E HA 0.209 4.560 4.350 0.002 0.000 0.219 374 E C -0.653 175.888 176.600 -0.100 0.000 0.979 374 E CA -0.144 56.327 56.400 0.118 0.000 1.092 374 E CB 0.632 30.365 29.700 0.055 0.000 1.049 374 E HN 0.550 nan 8.360 nan 0.000 0.487 375 R N -0.797 119.501 120.500 -0.337 0.000 2.728 375 R HA 0.614 4.955 4.340 0.002 0.000 0.259 375 R C -0.969 175.038 176.300 -0.488 0.000 1.057 375 R CA -0.726 54.981 56.100 -0.656 0.000 0.908 375 R CB 0.471 30.603 30.300 -0.281 0.000 1.259 375 R HN -0.033 nan 8.270 nan 0.000 0.472 376 A N 1.676 124.181 122.820 -0.525 0.000 2.364 376 A HA 0.269 4.590 4.320 0.002 0.000 0.258 376 A C -1.057 176.589 177.584 0.104 0.000 1.131 376 A CA 0.198 52.179 52.037 -0.093 0.000 0.800 376 A CB 0.091 19.076 19.000 -0.026 0.000 1.086 376 A HN 0.727 nan 8.150 nan 0.000 0.508 377 Y N -0.445 119.899 120.300 0.073 0.000 2.475 377 Y HA 0.398 4.949 4.550 0.002 0.000 0.343 377 Y C 0.222 176.204 175.900 0.137 0.000 1.068 377 Y CA -0.522 57.642 58.100 0.106 0.000 1.307 377 Y CB 0.896 39.451 38.460 0.159 0.000 1.097 377 Y HN 0.813 nan 8.280 nan 0.000 0.530 378 E N 2.139 122.206 120.200 -0.223 0.000 2.489 378 E HA 0.032 4.383 4.350 0.002 0.000 0.193 378 E C -0.277 176.074 176.600 -0.415 0.000 1.057 378 E CA 0.174 56.428 56.400 -0.244 0.000 0.866 378 E CB 0.546 30.180 29.700 -0.110 0.000 0.916 378 E HN 0.604 nan 8.360 nan 0.000 0.500 379 E N 1.261 121.005 120.200 -0.761 0.000 2.318 379 E HA 0.171 4.522 4.350 0.002 0.000 0.265 379 E C -2.399 173.868 176.600 -0.556 0.000 1.069 379 E CA -2.046 54.013 56.400 -0.568 0.000 0.893 379 E CB 0.306 29.765 29.700 -0.401 0.000 1.076 379 E HN -0.112 nan 8.360 nan 0.000 0.414 380 P HA 0.228 nan 4.420 nan 0.000 0.269 380 P C -0.415 176.865 177.300 -0.033 0.000 1.209 380 P CA 0.080 63.094 63.100 -0.142 0.000 0.776 380 P CB 0.960 32.609 31.700 -0.084 0.000 0.876 381 G N 1.162 109.961 108.800 -0.001 0.000 2.664 381 G HA2 0.506 4.468 3.960 0.002 0.000 0.303 381 G HA3 0.506 4.468 3.960 0.002 0.000 0.303 381 G C -1.607 173.305 174.900 0.019 0.000 1.243 381 G CA -0.513 44.633 45.100 0.078 0.000 0.826 381 G HN 0.324 nan 8.290 nan 0.000 0.498 382 I N 1.094 121.678 120.570 0.023 0.000 2.428 382 I HA 0.421 4.592 4.170 0.002 0.000 0.296 382 I C 0.524 176.633 176.117 -0.014 0.000 0.985 382 I CA -0.458 60.840 61.300 -0.003 0.000 1.260 382 I CB 1.198 39.197 38.000 -0.002 0.000 1.389 382 I HN 0.405 nan 8.210 nan 0.000 0.484 383 M N 4.757 124.339 119.600 -0.030 0.000 2.250 383 M HA 0.463 4.944 4.480 0.002 0.000 0.344 383 M C -0.290 175.988 176.300 -0.037 0.000 1.150 383 M CA -0.045 55.230 55.300 -0.043 0.000 1.147 383 M CB 1.674 34.236 32.600 -0.062 0.000 1.498 383 M HN 0.435 nan 8.290 nan 0.000 0.461 384 V N 3.226 123.120 119.914 -0.033 0.000 3.204 384 V HA 0.333 4.455 4.120 0.002 0.000 0.298 384 V C -0.721 175.356 176.094 -0.028 0.000 1.328 384 V CA -0.548 61.734 62.300 -0.031 0.000 1.035 384 V CB 2.253 34.074 31.823 -0.003 0.000 1.095 384 V HN 1.005 nan 8.190 nan 0.000 0.442 385 N N 2.413 121.091 118.700 -0.038 0.000 2.708 385 N HA -0.147 4.594 4.740 0.002 0.000 0.251 385 N C 0.388 175.861 175.510 -0.062 0.000 1.123 385 N CA 1.436 54.478 53.050 -0.012 0.000 0.739 385 N CB -1.190 37.328 38.487 0.051 0.000 1.113 385 N HN 0.634 nan 8.380 nan 0.000 0.561 386 S N -0.244 115.292 115.700 -0.273 0.000 2.525 386 S HA 0.505 4.976 4.470 0.002 0.000 0.242 386 S C 1.221 175.074 174.600 -1.246 0.000 1.164 386 S CA 0.105 57.784 58.200 -0.868 0.000 1.154 386 S CB 0.843 63.686 63.200 -0.595 0.000 0.875 386 S HN 0.872 nan 8.310 nan 0.000 0.482 387 G N 3.583 111.989 108.800 -0.655 0.000 2.566 387 G HA2 -0.261 3.700 3.960 0.002 0.000 0.280 387 G HA3 -0.261 3.700 3.960 0.002 0.000 0.280 387 G C -1.716 172.958 174.900 -0.376 0.000 1.225 387 G CA 0.094 44.948 45.100 -0.409 0.000 0.966 387 G HN 0.330 nan 8.290 nan 0.000 0.560 388 P HA 0.057 nan 4.420 nan 0.000 0.230 388 P C 1.408 178.404 177.300 -0.506 0.000 1.158 388 P CA 1.342 64.158 63.100 -0.473 0.000 0.769 388 P CB -0.160 31.208 31.700 -0.554 0.000 0.807 389 F N 0.240 119.967 119.950 -0.372 0.000 2.748 389 F HA 0.046 4.574 4.527 0.002 0.000 0.299 389 F C 1.126 176.780 175.800 -0.243 0.000 1.154 389 F CA -0.058 57.755 58.000 -0.312 0.000 1.446 389 F CB -1.019 37.746 39.000 -0.392 0.000 1.112 389 F HN -0.161 nan 8.300 nan 0.000 0.584 390 D N 0.298 120.635 120.400 -0.104 0.000 2.443 390 D HA 0.133 4.774 4.640 0.002 0.000 0.234 390 D C 1.635 177.904 176.300 -0.053 0.000 1.172 390 D CA 1.573 55.523 54.000 -0.085 0.000 0.878 390 D CB 0.509 41.250 40.800 -0.097 0.000 1.204 390 D HN 0.348 nan 8.370 nan 0.000 0.453 391 G N 1.659 110.435 108.800 -0.040 0.000 2.377 391 G HA2 -0.325 3.636 3.960 0.002 0.000 0.250 391 G HA3 -0.325 3.636 3.960 0.002 0.000 0.250 391 G C 0.660 175.549 174.900 -0.019 0.000 1.039 391 G CA 0.830 45.913 45.100 -0.028 0.000 0.625 391 G HN 0.629 nan 8.290 nan 0.000 0.526 392 T N 2.885 117.433 114.554 -0.011 0.000 2.940 392 T HA 0.396 4.747 4.350 0.002 0.000 0.309 392 T C 0.571 175.265 174.700 -0.010 0.000 1.056 392 T CA 0.033 62.135 62.100 0.004 0.000 1.137 392 T CB 1.149 70.044 68.868 0.046 0.000 0.976 392 T HN 0.341 nan 8.240 nan 0.000 0.547 393 E N 1.337 121.531 120.200 -0.009 0.000 2.425 393 E HA -0.003 4.348 4.350 0.002 0.000 0.258 393 E C 1.394 177.973 176.600 -0.034 0.000 1.151 393 E CA 0.020 56.409 56.400 -0.018 0.000 0.958 393 E CB 0.606 30.298 29.700 -0.013 0.000 0.968 393 E HN 0.656 nan 8.360 nan 0.000 0.451 394 S N 1.422 117.096 115.700 -0.044 0.000 2.345 394 S HA -0.148 4.323 4.470 0.002 0.000 0.220 394 S C 1.367 175.927 174.600 -0.066 0.000 1.031 394 S CA 1.125 59.283 58.200 -0.069 0.000 0.996 394 S CB 0.087 63.238 63.200 -0.082 0.000 0.882 394 S HN 0.358 nan 8.310 nan 0.000 0.445 395 E N 1.134 121.304 120.200 -0.050 0.000 2.038 395 E HA -0.156 4.196 4.350 0.002 0.000 0.195 395 E C 2.070 178.650 176.600 -0.033 0.000 1.000 395 E CA 1.280 57.655 56.400 -0.042 0.000 0.803 395 E CB -0.686 28.995 29.700 -0.031 0.000 0.750 395 E HN 0.728 nan 8.360 nan 0.000 0.448 396 E N 0.059 120.245 120.200 -0.023 0.000 2.268 396 E HA -0.099 4.252 4.350 0.002 0.000 0.195 396 E C 1.980 178.573 176.600 -0.011 0.000 0.995 396 E CA 0.761 57.156 56.400 -0.008 0.000 0.836 396 E CB -0.154 29.547 29.700 0.002 0.000 0.763 396 E HN 0.278 nan 8.360 nan 0.000 0.491 397 G N 1.432 110.210 108.800 -0.037 0.000 2.453 397 G HA2 -0.304 3.657 3.960 0.002 0.000 0.215 397 G HA3 -0.304 3.657 3.960 0.002 0.000 0.215 397 G C 1.342 176.178 174.900 -0.107 0.000 1.201 397 G CA 0.984 46.038 45.100 -0.077 0.000 0.784 397 G HN 0.174 nan 8.290 nan 0.000 0.545 398 K N 0.640 120.984 120.400 -0.093 0.000 2.013 398 K HA -0.272 4.049 4.320 0.002 0.000 0.225 398 K C 2.691 179.261 176.600 -0.050 0.000 1.056 398 K CA 2.115 58.352 56.287 -0.084 0.000 0.971 398 K CB -0.384 32.075 32.500 -0.067 0.000 0.731 398 K HN 0.398 nan 8.250 nan 0.000 0.450 399 R N 1.390 121.877 120.500 -0.020 0.000 2.139 399 R HA -0.154 4.187 4.340 0.002 0.000 0.243 399 R C 1.996 178.323 176.300 0.045 0.000 1.145 399 R CA 1.558 57.664 56.100 0.011 0.000 0.976 399 R CB -0.350 29.958 30.300 0.014 0.000 0.866 399 R HN 0.215 nan 8.270 nan 0.000 0.449 400 K N 0.909 121.339 120.400 0.049 0.000 2.007 400 K HA -0.010 4.311 4.320 0.002 0.000 0.206 400 K C 2.181 178.891 176.600 0.182 0.000 1.047 400 K CA 1.303 57.673 56.287 0.138 0.000 0.937 400 K CB -0.056 32.552 32.500 0.180 0.000 0.718 400 K HN -0.014 nan 8.250 nan 0.000 0.438 401 V N 2.107 121.991 119.914 -0.051 0.000 2.392 401 V HA -0.250 3.871 4.120 0.002 0.000 0.249 401 V C 2.187 178.379 176.094 0.164 0.000 1.059 401 V CA 1.591 63.816 62.300 -0.124 0.000 1.051 401 V CB -0.474 31.122 31.823 -0.378 0.000 0.658 401 V HN 0.283 nan 8.190 nan 0.000 0.455 402 I N 0.559 121.182 120.570 0.087 0.000 2.202 402 I HA -0.202 3.969 4.170 0.002 0.000 0.242 402 I C 2.693 178.886 176.117 0.127 0.000 1.091 402 I CA 1.490 62.843 61.300 0.088 0.000 1.368 402 I CB -0.663 37.359 38.000 0.037 0.000 1.058 402 I HN 0.290 nan 8.210 nan 0.000 0.410 403 A N -0.097 122.808 122.820 0.141 0.000 2.024 403 A HA -0.268 4.053 4.320 0.002 0.000 0.220 403 A C 2.075 179.778 177.584 0.198 0.000 1.164 403 A CA 1.440 53.560 52.037 0.139 0.000 0.643 403 A CB -1.033 18.048 19.000 0.136 0.000 0.806 403 A HN 0.692 nan 8.150 nan 0.000 0.451 404 W N 0.338 121.703 121.300 0.108 0.000 2.443 404 W HA -0.018 4.643 4.660 0.002 0.000 0.296 404 W C 1.724 178.300 176.519 0.094 0.000 1.202 404 W CA 1.529 58.967 57.345 0.155 0.000 1.312 404 W CB -0.284 29.384 29.460 0.347 0.000 1.120 404 W HN 0.237 nan 8.180 nan 0.000 0.536 405 L N 0.280 121.580 121.223 0.128 0.000 1.994 405 L HA -0.183 4.158 4.340 0.002 0.000 0.208 405 L C 2.120 178.911 176.870 -0.131 0.000 1.071 405 L CA 1.671 56.463 54.840 -0.079 0.000 0.745 405 L CB -1.039 41.052 42.059 0.053 0.000 0.892 405 L HN -0.100 nan 8.230 nan 0.000 0.431 406 E N -0.492 119.680 120.200 -0.046 0.000 2.533 406 E HA -0.201 4.150 4.350 0.002 0.000 0.201 406 E C 1.657 178.210 176.600 -0.078 0.000 1.097 406 E CA 0.239 56.610 56.400 -0.049 0.000 0.887 406 E CB 0.154 29.848 29.700 -0.010 0.000 0.855 406 E HN 0.426 nan 8.360 nan 0.000 0.540 407 E N 0.007 120.123 120.200 -0.141 0.000 2.256 407 E HA -0.013 4.339 4.350 0.002 0.000 0.198 407 E C 1.261 177.734 176.600 -0.212 0.000 0.908 407 E CA 0.165 56.472 56.400 -0.155 0.000 0.915 407 E CB 0.457 30.061 29.700 -0.159 0.000 0.890 407 E HN -0.080 nan 8.360 nan 0.000 0.484 408 K N -0.034 120.168 120.400 -0.331 0.000 2.404 408 K HA 0.131 4.452 4.320 0.002 0.000 0.194 408 K C 0.648 177.120 176.600 -0.214 0.000 1.023 408 K CA 0.695 56.795 56.287 -0.311 0.000 1.094 408 K CB 1.041 33.247 32.500 -0.490 0.000 0.841 408 K HN 0.281 nan 8.250 nan 0.000 0.523 409 G N 2.077 110.772 108.800 -0.174 0.000 2.246 409 G HA2 -0.253 3.708 3.960 0.002 0.000 0.273 409 G HA3 -0.253 3.708 3.960 0.002 0.000 0.273 409 G C 0.600 175.432 174.900 -0.113 0.000 1.055 409 G CA 0.317 45.347 45.100 -0.116 0.000 0.851 409 G HN 0.315 nan 8.290 nan 0.000 0.500 410 L N -1.065 120.070 121.223 -0.147 0.000 2.354 410 L HA 0.505 4.846 4.340 0.002 0.000 0.212 410 L C 1.720 178.552 176.870 -0.063 0.000 1.091 410 L CA 1.048 55.811 54.840 -0.127 0.000 0.828 410 L CB 0.098 42.041 42.059 -0.194 0.000 0.973 410 L HN 0.582 nan 8.230 nan 0.000 0.461 411 G N -0.203 108.569 108.800 -0.048 0.000 2.578 411 G HA2 0.502 4.463 3.960 0.002 0.000 0.302 411 G HA3 0.502 4.463 3.960 0.002 0.000 0.302 411 G C -1.824 173.074 174.900 -0.004 0.000 1.243 411 G CA -0.398 44.700 45.100 -0.003 0.000 0.843 411 G HN -0.016 nan 8.290 nan 0.000 0.486 412 K N -1.447 118.962 120.400 0.015 0.000 2.685 412 K HA 0.560 4.881 4.320 0.002 0.000 0.290 412 K C -0.536 176.079 176.600 0.025 0.000 1.018 412 K CA -0.649 55.647 56.287 0.014 0.000 0.860 412 K CB 1.179 33.683 32.500 0.006 0.000 1.498 412 K HN 1.199 nan 8.250 nan 0.000 0.390 413 G N 1.233 110.046 108.800 0.022 0.000 2.339 413 G HA2 0.485 4.446 3.960 0.002 0.000 0.287 413 G HA3 0.485 4.446 3.960 0.002 0.000 0.287 413 G C -0.780 174.145 174.900 0.042 0.000 1.163 413 G CA -0.358 44.759 45.100 0.028 0.000 0.872 413 G HN 0.562 nan 8.290 nan 0.000 0.464 414 R N 0.922 121.476 120.500 0.090 0.000 2.855 414 R HA 0.675 5.016 4.340 0.002 0.000 0.266 414 R C -1.507 174.851 176.300 0.097 0.000 1.034 414 R CA -0.699 55.447 56.100 0.076 0.000 0.944 414 R CB 2.391 32.736 30.300 0.075 0.000 1.219 414 R HN 0.343 nan 8.270 nan 0.000 0.474 415 V N 2.059 121.917 119.914 -0.092 0.000 2.398 415 V HA 0.273 4.394 4.120 0.002 0.000 0.282 415 V C -0.151 175.573 176.094 -0.617 0.000 1.014 415 V CA -0.780 61.361 62.300 -0.265 0.000 0.838 415 V CB 1.263 32.923 31.823 -0.271 0.000 1.018 415 V HN 0.982 nan 8.190 nan 0.000 0.432 416 T N 1.247 115.330 114.554 -0.786 0.000 2.881 416 T HA 0.771 5.122 4.350 0.002 0.000 0.278 416 T C -0.848 173.410 174.700 -0.736 0.000 0.982 416 T CA -0.504 61.103 62.100 -0.820 0.000 0.989 416 T CB 1.511 69.726 68.868 -1.089 0.000 1.058 416 T HN 0.306 nan 8.240 nan 0.000 0.529 417 Y N -1.087 119.123 120.300 -0.150 0.000 2.512 417 Y HA 0.522 5.073 4.550 0.002 0.000 0.348 417 Y C 1.516 177.444 175.900 0.048 0.000 0.990 417 Y CA -1.374 56.704 58.100 -0.035 0.000 1.033 417 Y CB 2.032 40.460 38.460 -0.054 0.000 1.259 417 Y HN 0.529 nan 8.280 nan 0.000 0.461 418 R N 0.725 121.324 120.500 0.165 0.000 2.090 418 R HA -0.028 4.313 4.340 0.002 0.000 0.228 418 R C 0.175 176.394 176.300 -0.135 0.000 1.110 418 R CA 0.306 56.388 56.100 -0.030 0.000 0.973 418 R CB -0.078 30.075 30.300 -0.245 0.000 0.869 418 R HN 0.550 nan 8.270 nan 0.000 0.440 419 L N 2.662 123.808 121.223 -0.128 0.000 2.667 419 L HA -0.101 4.240 4.340 0.002 0.000 0.278 419 L C -0.185 176.664 176.870 -0.035 0.000 1.217 419 L CA 1.071 55.825 54.840 -0.143 0.000 0.935 419 L CB 0.217 42.247 42.059 -0.048 0.000 1.193 419 L HN 0.018 nan 8.230 nan 0.000 0.493 420 R N 4.074 124.567 120.500 -0.012 0.000 2.604 420 R HA 0.331 4.672 4.340 0.002 0.000 0.287 420 R C -0.548 175.860 176.300 0.180 0.000 0.970 420 R CA -1.151 54.992 56.100 0.072 0.000 0.946 420 R CB 0.864 31.207 30.300 0.073 0.000 1.127 420 R HN 0.611 nan 8.270 nan 0.000 0.473 421 D N 0.853 121.378 120.400 0.209 0.000 2.443 421 D HA -0.126 4.515 4.640 0.002 0.000 0.234 421 D C -0.320 176.273 176.300 0.487 0.000 1.172 421 D CA 0.641 54.831 54.000 0.316 0.000 0.878 421 D CB 0.584 41.582 40.800 0.331 0.000 1.204 421 D HN 0.258 nan 8.370 nan 0.000 0.453 422 W N 3.474 124.922 121.300 0.246 0.000 2.356 422 W HA 0.258 4.919 4.660 0.002 0.000 0.311 422 W C -0.673 175.921 176.519 0.125 0.000 1.328 422 W CA -0.800 56.682 57.345 0.228 0.000 1.251 422 W CB -0.260 29.319 29.460 0.197 0.000 1.280 422 W HN 0.170 nan 8.180 nan 0.000 0.524 423 L N 10.045 131.468 121.223 0.334 0.000 2.282 423 L HA 0.225 4.566 4.340 0.002 0.000 0.287 423 L C 1.012 177.790 176.870 -0.153 0.000 1.075 423 L CA -0.175 54.509 54.840 -0.260 0.000 0.839 423 L CB 0.306 42.184 42.059 -0.302 0.000 1.219 423 L HN 0.593 nan 8.230 nan 0.000 0.434 424 I N 1.249 121.642 120.570 -0.294 0.000 3.914 424 I HA 0.254 4.425 4.170 0.002 0.000 0.333 424 I C 0.217 176.256 176.117 -0.131 0.000 1.449 424 I CA -0.341 60.793 61.300 -0.278 0.000 1.135 424 I CB 0.287 38.022 38.000 -0.441 0.000 1.073 424 I HN 0.508 nan 8.210 nan 0.000 0.401 425 S N 1.462 117.122 115.700 -0.067 0.000 2.451 425 S HA 0.651 5.122 4.470 0.002 0.000 0.301 425 S C -0.230 174.366 174.600 -0.007 0.000 1.116 425 S CA -0.791 57.396 58.200 -0.022 0.000 1.093 425 S CB 1.886 65.157 63.200 0.118 0.000 1.017 425 S HN 0.251 nan 8.310 nan 0.000 0.482 426 R N 1.846 122.330 120.500 -0.026 0.000 2.670 426 R HA 0.368 4.709 4.340 0.002 0.000 0.289 426 R C -0.948 175.362 176.300 0.016 0.000 0.965 426 R CA -0.655 55.441 56.100 -0.008 0.000 0.899 426 R CB 1.516 31.804 30.300 -0.019 0.000 1.173 426 R HN 0.667 nan 8.270 nan 0.000 0.456 427 Q N 2.227 122.054 119.800 0.045 0.000 3.207 427 Q HA 0.275 4.617 4.340 0.002 0.000 0.335 427 Q C -0.284 175.771 176.000 0.092 0.000 1.374 427 Q CA 0.048 55.909 55.803 0.097 0.000 1.023 427 Q CB 0.413 29.256 28.738 0.175 0.000 1.576 427 Q HN 0.058 nan 8.270 nan 0.000 0.515 428 R N -0.622 119.925 120.500 0.078 0.000 2.867 428 R HA 0.257 4.598 4.340 0.002 0.000 0.268 428 R C -0.125 176.272 176.300 0.162 0.000 1.014 428 R CA -0.768 55.403 56.100 0.119 0.000 0.946 428 R CB 0.451 30.805 30.300 0.092 0.000 1.208 428 R HN 0.274 nan 8.270 nan 0.000 0.477 429 Y N 0.887 121.260 120.300 0.121 0.000 2.177 429 Y HA 0.068 4.619 4.550 0.002 0.000 0.291 429 Y C 0.537 176.591 175.900 0.257 0.000 1.117 429 Y CA 0.767 58.959 58.100 0.155 0.000 1.114 429 Y CB 0.114 38.677 38.460 0.170 0.000 1.017 429 Y HN 0.560 nan 8.280 nan 0.000 0.505 430 W N 3.630 124.849 121.300 -0.136 0.000 2.771 430 W HA 0.368 5.029 4.660 0.002 0.000 0.407 430 W C -0.319 176.162 176.519 -0.063 0.000 1.221 430 W CA 0.680 57.994 57.345 -0.052 0.000 1.539 430 W CB -0.591 28.940 29.460 0.119 0.000 1.647 430 W HN 0.359 nan 8.180 nan 0.000 0.469 431 G N 2.350 110.735 108.800 -0.693 0.000 2.489 431 G HA2 0.179 4.140 3.960 0.002 0.000 0.291 431 G HA3 0.179 4.140 3.960 0.002 0.000 0.291 431 G C -1.183 172.690 174.900 -1.713 0.000 1.487 431 G CA -0.866 43.452 45.100 -1.304 0.000 0.795 431 G HN -0.042 nan 8.290 nan 0.000 0.513 432 T N 2.945 116.623 114.554 -1.460 0.000 2.779 432 T HA 0.428 4.779 4.350 0.002 0.000 0.296 432 T C -2.400 171.879 174.700 -0.700 0.000 0.938 432 T CA -0.475 60.991 62.100 -1.057 0.000 1.119 432 T CB 1.252 69.726 68.868 -0.657 0.000 0.891 432 T HN 0.210 nan 8.240 nan 0.000 0.526 433 P HA 0.153 nan 4.420 nan 0.000 0.267 433 P C -0.039 177.013 177.300 -0.413 0.000 1.209 433 P CA -0.220 62.670 63.100 -0.350 0.000 0.763 433 P CB 0.197 31.794 31.700 -0.171 0.000 0.816 434 I N 6.854 127.124 120.570 -0.501 0.000 2.517 434 I HA 0.040 4.211 4.170 0.002 0.000 0.285 434 I C -1.242 174.500 176.117 -0.625 0.000 1.106 434 I CA -1.551 59.254 61.300 -0.826 0.000 1.402 434 I CB 0.597 38.004 38.000 -0.987 0.000 1.399 434 I HN 0.226 nan 8.210 nan 0.000 0.535 435 P HA 0.061 nan 4.420 nan 0.000 0.249 435 P C -0.558 176.520 177.300 -0.369 0.000 1.686 435 P CA 0.334 63.219 63.100 -0.359 0.000 0.873 435 P CB 0.087 31.651 31.700 -0.226 0.000 1.828 436 M N 0.117 119.456 119.600 -0.436 0.000 2.591 436 M HA 0.442 4.923 4.480 0.002 0.000 0.306 436 M C -0.220 175.841 176.300 -0.398 0.000 1.190 436 M CA -1.146 53.913 55.300 -0.402 0.000 0.889 436 M CB 2.528 34.900 32.600 -0.381 0.000 1.728 436 M HN -0.264 nan 8.290 nan 0.000 0.458 437 V N 0.699 120.375 119.914 -0.397 0.000 3.074 437 V HA 0.524 4.645 4.120 0.002 0.000 0.314 437 V C -0.888 174.938 176.094 -0.447 0.000 1.117 437 V CA -0.860 61.201 62.300 -0.397 0.000 1.014 437 V CB 2.533 34.233 31.823 -0.206 0.000 1.057 437 V HN 0.743 nan 8.190 nan 0.000 0.438 438 H N 0.782 119.843 119.070 -0.015 0.000 2.786 438 H HA 0.396 4.953 4.556 0.002 0.000 0.284 438 H C -0.431 174.898 175.328 0.001 0.000 1.104 438 H CA -0.334 55.716 56.048 0.003 0.000 1.339 438 H CB 1.331 31.094 29.762 0.001 0.000 1.427 438 H HN 0.773 nan 8.280 nan 0.000 0.497 439 C N 2.491 121.856 119.300 0.108 0.000 2.382 439 C HA 0.152 4.613 4.460 0.002 0.000 0.363 439 C C 2.092 177.124 174.990 0.070 0.000 1.213 439 C CA -0.201 58.858 59.018 0.069 0.000 2.363 439 C CB 0.603 28.372 27.740 0.048 0.000 2.397 439 C HN 0.978 nan 8.230 nan 0.000 0.573 440 E N 1.040 121.269 120.200 0.049 0.000 2.276 440 E HA 0.102 4.453 4.350 0.002 0.000 0.193 440 E C 1.653 178.273 176.600 0.034 0.000 0.983 440 E CA 0.955 57.378 56.400 0.038 0.000 0.861 440 E CB 0.154 29.871 29.700 0.028 0.000 0.817 440 E HN 0.831 nan 8.360 nan 0.000 0.485 441 A N -0.411 122.430 122.820 0.035 0.000 2.014 441 A HA 0.042 4.363 4.320 0.002 0.000 0.210 441 A C 2.051 179.659 177.584 0.039 0.000 1.188 441 A CA 0.240 52.296 52.037 0.032 0.000 0.731 441 A CB -0.107 18.909 19.000 0.027 0.000 0.858 441 A HN 0.420 nan 8.150 nan 0.000 0.464 442 C N -1.671 117.657 119.300 0.047 0.000 2.551 442 C HA 0.518 4.979 4.460 0.002 0.000 0.277 442 C C 1.869 176.905 174.990 0.077 0.000 1.349 442 C CA 0.196 59.249 59.018 0.057 0.000 1.750 442 C CB -0.689 27.084 27.740 0.054 0.000 2.058 442 C HN 1.011 nan 8.230 nan 0.000 0.518 443 G N 0.424 109.273 108.800 0.081 0.000 2.503 443 G HA2 -0.190 3.771 3.960 0.002 0.000 0.235 443 G HA3 -0.190 3.771 3.960 0.002 0.000 0.235 443 G C -0.468 174.520 174.900 0.146 0.000 1.179 443 G CA -0.103 45.060 45.100 0.107 0.000 0.944 443 G HN 0.339 nan 8.290 nan 0.000 0.580 444 V N 1.460 121.486 119.914 0.186 0.000 2.389 444 V HA 0.505 4.626 4.120 0.002 0.000 0.264 444 V C 0.532 176.688 176.094 0.104 0.000 1.049 444 V CA -0.187 62.231 62.300 0.197 0.000 0.932 444 V CB 0.763 32.746 31.823 0.266 0.000 1.011 444 V HN 0.866 nan 8.190 nan 0.000 0.475 445 V N 7.733 127.639 119.914 -0.013 0.000 2.555 445 V HA 0.488 4.609 4.120 0.002 0.000 0.302 445 V C -2.243 173.728 176.094 -0.206 0.000 1.038 445 V CA -2.021 60.249 62.300 -0.050 0.000 0.887 445 V CB 2.276 34.094 31.823 -0.009 0.000 0.991 445 V HN 0.680 nan 8.190 nan 0.000 0.434 446 P HA 0.245 nan 4.420 nan 0.000 0.281 446 P C -0.311 176.883 177.300 -0.176 0.000 1.252 446 P CA -0.068 62.816 63.100 -0.361 0.000 0.778 446 P CB 1.495 32.916 31.700 -0.466 0.000 0.895 447 V N 6.209 126.018 119.914 -0.175 0.000 2.872 447 V HA 0.035 4.157 4.120 0.002 0.000 0.307 447 V C -1.711 174.342 176.094 -0.068 0.000 1.072 447 V CA -0.917 61.317 62.300 -0.110 0.000 1.148 447 V CB -0.616 31.139 31.823 -0.114 0.000 0.954 447 V HN 0.590 nan 8.190 nan 0.000 0.490 448 P HA 0.054 nan 4.420 nan 0.000 0.268 448 P C 0.795 178.091 177.300 -0.006 0.000 1.205 448 P CA 0.016 63.107 63.100 -0.014 0.000 0.771 448 P CB 0.533 32.230 31.700 -0.004 0.000 0.858 449 E N 2.649 122.853 120.200 0.007 0.000 2.110 449 E HA -0.229 4.122 4.350 0.002 0.000 0.193 449 E C 1.076 177.719 176.600 0.072 0.000 0.988 449 E CA 1.107 57.529 56.400 0.037 0.000 0.804 449 E CB 0.157 29.877 29.700 0.033 0.000 0.745 449 E HN 0.575 nan 8.360 nan 0.000 0.458 450 E N -0.126 120.105 120.200 0.052 0.000 2.489 450 E HA -0.086 4.265 4.350 0.002 0.000 0.193 450 E C 1.469 178.081 176.600 0.019 0.000 1.057 450 E CA 0.264 56.692 56.400 0.046 0.000 0.866 450 E CB 0.154 29.882 29.700 0.046 0.000 0.916 450 E HN 0.275 nan 8.360 nan 0.000 0.500 451 E N 0.803 121.008 120.200 0.009 0.000 2.474 451 E HA 0.122 4.473 4.350 0.002 0.000 0.194 451 E C 0.317 176.910 176.600 -0.012 0.000 1.041 451 E CA -0.242 56.157 56.400 -0.002 0.000 0.874 451 E CB 0.341 30.037 29.700 -0.007 0.000 0.914 451 E HN 0.241 nan 8.360 nan 0.000 0.498 452 L N 2.655 123.867 121.223 -0.019 0.000 2.467 452 L HA 0.156 4.498 4.340 0.002 0.000 0.270 452 L C -1.538 175.278 176.870 -0.090 0.000 1.205 452 L CA -1.447 53.365 54.840 -0.047 0.000 0.828 452 L CB -0.081 41.949 42.059 -0.049 0.000 1.101 452 L HN 0.098 nan 8.230 nan 0.000 0.479 453 P HA 0.131 nan 4.420 nan 0.000 0.297 453 P C -0.888 176.425 177.300 0.021 0.000 1.303 453 P CA -0.323 62.737 63.100 -0.066 0.000 0.753 453 P CB 1.091 32.717 31.700 -0.125 0.000 1.281 454 V N 0.681 120.649 119.914 0.090 0.000 2.320 454 V HA 0.114 4.235 4.120 0.002 0.000 0.257 454 V C 0.433 176.642 176.094 0.191 0.000 0.996 454 V CA -0.545 61.831 62.300 0.126 0.000 0.928 454 V CB -0.111 31.760 31.823 0.080 0.000 1.169 454 V HN 0.328 nan 8.190 nan 0.000 0.475 455 L N 2.117 123.459 121.223 0.198 0.000 2.535 455 L HA -0.034 4.307 4.340 0.002 0.000 0.301 455 L C 0.365 177.267 176.870 0.054 0.000 1.275 455 L CA 0.962 55.931 54.840 0.215 0.000 0.843 455 L CB 0.080 42.236 42.059 0.162 0.000 1.094 455 L HN 0.367 nan 8.230 nan 0.000 0.532 456 L N 2.765 123.987 121.223 -0.002 0.000 2.326 456 L HA 0.341 4.682 4.340 0.002 0.000 0.278 456 L C -1.879 174.929 176.870 -0.104 0.000 1.092 456 L CA -1.779 52.959 54.840 -0.172 0.000 0.810 456 L CB 1.352 43.314 42.059 -0.161 0.000 1.153 456 L HN 0.461 nan 8.230 nan 0.000 0.439 457 P HA -0.062 nan 4.420 nan 0.000 0.262 457 P C -0.901 176.406 177.300 0.012 0.000 1.182 457 P CA 0.010 63.005 63.100 -0.175 0.000 0.761 457 P CB 0.299 31.821 31.700 -0.298 0.000 0.795 458 D N 3.371 123.762 120.400 -0.015 0.000 2.338 458 D HA 0.131 4.772 4.640 0.002 0.000 0.255 458 D C -0.918 175.318 176.300 -0.107 0.000 1.237 458 D CA 0.188 54.197 54.000 0.016 0.000 0.883 458 D CB 0.228 41.029 40.800 0.001 0.000 1.087 458 D HN 0.068 nan 8.370 nan 0.000 0.485 459 L N 5.155 126.305 121.223 -0.122 0.000 2.349 459 L HA 0.245 4.586 4.340 0.002 0.000 0.278 459 L C 1.303 177.997 176.870 -0.293 0.000 0.996 459 L CA -0.474 54.201 54.840 -0.274 0.000 0.825 459 L CB 1.915 43.700 42.059 -0.456 0.000 1.243 459 L HN 0.152 nan 8.230 nan 0.000 0.412 460 K N 0.191 120.425 120.400 -0.277 0.000 2.244 460 K HA 0.117 4.438 4.320 0.002 0.000 0.200 460 K C -0.007 176.447 176.600 -0.243 0.000 1.052 460 K CA 0.144 56.226 56.287 -0.341 0.000 0.980 460 K CB 0.200 32.548 32.500 -0.253 0.000 0.838 460 K HN 0.502 nan 8.250 nan 0.000 0.481 461 D N 2.060 122.363 120.400 -0.162 0.000 2.383 461 D HA -0.041 4.600 4.640 0.002 0.000 0.275 461 D C 1.155 177.395 176.300 -0.101 0.000 1.344 461 D CA 0.103 54.039 54.000 -0.105 0.000 0.984 461 D CB 0.730 41.492 40.800 -0.063 0.000 1.104 461 D HN -0.251 nan 8.370 nan 0.000 0.524 462 V N 4.336 124.200 119.914 -0.083 0.000 2.332 462 V HA -0.233 3.888 4.120 0.002 0.000 0.248 462 V C 2.060 178.123 176.094 -0.052 0.000 1.055 462 V CA 1.678 63.943 62.300 -0.058 0.000 1.038 462 V CB -0.460 31.338 31.823 -0.042 0.000 0.651 462 V HN 0.600 nan 8.190 nan 0.000 0.450 463 E N -0.559 119.614 120.200 -0.045 0.000 2.516 463 E HA -0.165 4.186 4.350 0.002 0.000 0.199 463 E C 1.655 178.238 176.600 -0.028 0.000 1.069 463 E CA 0.593 56.973 56.400 -0.034 0.000 0.876 463 E CB -0.012 29.671 29.700 -0.028 0.000 0.843 463 E HN 0.592 nan 8.360 nan 0.000 0.530 464 D N 0.951 121.328 120.400 -0.038 0.000 2.202 464 D HA -0.064 4.577 4.640 0.002 0.000 0.214 464 D C 1.480 177.759 176.300 -0.035 0.000 0.967 464 D CA 0.372 54.358 54.000 -0.023 0.000 0.871 464 D CB 0.167 40.963 40.800 -0.007 0.000 1.020 464 D HN 0.232 nan 8.370 nan 0.000 0.474 465 I N -0.515 119.993 120.570 -0.103 0.000 3.539 465 I HA 0.232 4.403 4.170 0.002 0.000 0.297 465 I C 0.200 176.316 176.117 -0.001 0.000 1.284 465 I CA -0.224 60.992 61.300 -0.140 0.000 1.355 465 I CB -0.458 37.315 38.000 -0.378 0.000 1.144 465 I HN -0.180 nan 8.210 nan 0.000 0.495 466 R N 3.540 124.049 120.500 0.014 0.000 2.494 466 R HA 0.548 4.889 4.340 0.002 0.000 0.305 466 R C -2.732 173.603 176.300 0.057 0.000 0.959 466 R CA -1.932 54.186 56.100 0.030 0.000 0.864 466 R CB 1.772 32.074 30.300 0.003 0.000 1.159 466 R HN 0.088 nan 8.270 nan 0.000 0.446 467 P HA 0.141 nan 4.420 nan 0.000 0.276 467 P C -1.185 176.174 177.300 0.099 0.000 1.235 467 P CA -0.105 63.054 63.100 0.097 0.000 0.772 467 P CB 0.937 32.689 31.700 0.087 0.000 0.871 468 K N 1.837 122.310 120.400 0.121 0.000 2.564 468 K HA 0.404 4.725 4.320 0.002 0.000 0.201 468 K C 0.990 177.677 176.600 0.146 0.000 1.086 468 K CA -0.018 56.335 56.287 0.110 0.000 1.062 468 K CB 0.805 33.344 32.500 0.066 0.000 0.849 468 K HN 0.675 nan 8.250 nan 0.000 0.529 469 G N 1.130 110.080 108.800 0.249 0.000 2.428 469 G HA2 -0.191 3.770 3.960 0.002 0.000 0.199 469 G HA3 -0.191 3.770 3.960 0.002 0.000 0.199 469 G C -0.134 174.933 174.900 0.278 0.000 1.005 469 G CA -0.504 44.764 45.100 0.280 0.000 0.671 469 G HN 0.133 nan 8.290 nan 0.000 0.485 470 K N 0.271 120.791 120.400 0.199 0.000 2.346 470 K HA 0.667 4.989 4.320 0.002 0.000 0.238 470 K C -0.352 176.349 176.600 0.169 0.000 1.039 470 K CA -0.317 56.071 56.287 0.168 0.000 0.861 470 K CB 1.920 34.476 32.500 0.093 0.000 1.278 470 K HN 0.149 nan 8.250 nan 0.000 0.460 471 S N 1.466 117.257 115.700 0.152 0.000 2.498 471 S HA 0.107 4.578 4.470 0.002 0.000 0.281 471 S C -1.892 172.804 174.600 0.161 0.000 1.265 471 S CA -1.270 57.023 58.200 0.156 0.000 1.071 471 S CB 0.359 63.648 63.200 0.149 0.000 0.894 471 S HN 0.244 nan 8.310 nan 0.000 0.491 472 P HA -0.050 nan 4.420 nan 0.000 0.223 472 P C 0.855 178.292 177.300 0.228 0.000 1.144 472 P CA 0.932 64.135 63.100 0.170 0.000 0.783 472 P CB 0.102 31.911 31.700 0.182 0.000 0.771 473 L N -1.009 120.380 121.223 0.278 0.000 2.418 473 L HA 0.002 4.343 4.340 0.002 0.000 0.218 473 L C 1.648 178.768 176.870 0.417 0.000 1.125 473 L CA 0.651 55.719 54.840 0.380 0.000 0.835 473 L CB -0.494 41.792 42.059 0.379 0.000 0.953 473 L HN -0.113 nan 8.230 nan 0.000 0.454 474 E N 0.865 121.218 120.200 0.254 0.000 2.357 474 E HA 0.043 4.394 4.350 0.002 0.000 0.194 474 E C 0.796 177.512 176.600 0.193 0.000 1.177 474 E CA 0.206 56.709 56.400 0.171 0.000 0.998 474 E CB 0.304 30.046 29.700 0.070 0.000 1.106 474 E HN 0.360 nan 8.360 nan 0.000 0.470 475 A N 0.260 123.199 122.820 0.199 0.000 2.622 475 A HA 0.111 4.432 4.320 0.002 0.000 0.283 475 A C -0.200 177.201 177.584 -0.305 0.000 0.998 475 A CA -0.357 51.650 52.037 -0.049 0.000 0.985 475 A CB 0.359 19.238 19.000 -0.200 0.000 1.236 475 A HN 0.114 nan 8.150 nan 0.000 0.559 476 H N -0.192 119.016 119.070 0.231 0.000 2.607 476 H HA 0.220 4.777 4.556 0.002 0.000 0.248 476 H C -2.451 172.685 175.328 -0.320 0.000 1.355 476 H CA -1.497 54.569 56.048 0.030 0.000 1.524 476 H CB 1.113 30.925 29.762 0.085 0.000 1.563 476 H HN 0.080 nan 8.280 nan 0.000 0.509 477 P HA -0.220 nan 4.420 nan 0.000 0.217 477 P C 1.718 178.730 177.300 -0.480 0.000 1.148 477 P CA 1.309 63.874 63.100 -0.891 0.000 0.828 477 P CB 0.381 31.887 31.700 -0.323 0.000 0.783 478 E N -1.218 118.882 120.200 -0.166 0.000 2.333 478 E HA -0.228 4.123 4.350 0.002 0.000 0.200 478 E C 1.571 178.187 176.600 0.027 0.000 1.010 478 E CA 1.106 57.479 56.400 -0.045 0.000 0.841 478 E CB -0.948 28.761 29.700 0.015 0.000 0.757 478 E HN 0.285 nan 8.360 nan 0.000 0.508 479 F N 2.054 121.903 119.950 -0.169 0.000 2.289 479 F HA 0.033 4.561 4.527 0.002 0.000 0.280 479 F C 2.113 177.910 175.800 -0.005 0.000 1.045 479 F CA 0.590 58.559 58.000 -0.052 0.000 1.236 479 F CB -0.723 38.307 39.000 0.050 0.000 1.116 479 F HN -0.014 nan 8.300 nan 0.000 0.550 480 Y N 0.084 120.217 120.300 -0.279 0.000 2.519 480 Y HA 0.292 4.843 4.550 0.002 0.000 0.287 480 Y C 0.848 176.637 175.900 -0.185 0.000 1.128 480 Y CA 0.070 57.926 58.100 -0.405 0.000 1.282 480 Y CB -1.825 36.502 38.460 -0.222 0.000 1.027 480 Y HN 0.100 nan 8.280 nan 0.000 0.551 481 E N 2.151 122.290 120.200 -0.102 0.000 2.614 481 E HA 0.018 4.369 4.350 0.002 0.000 0.321 481 E C -0.009 176.575 176.600 -0.026 0.000 1.354 481 E CA 0.150 56.547 56.400 -0.005 0.000 1.469 481 E CB -0.197 29.462 29.700 -0.067 0.000 1.197 481 E HN 0.357 nan 8.360 nan 0.000 0.497 482 T N 0.114 114.650 114.554 -0.031 0.000 2.889 482 T HA 0.334 4.685 4.350 0.002 0.000 0.278 482 T C 0.172 174.859 174.700 -0.021 0.000 0.995 482 T CA -0.542 61.533 62.100 -0.042 0.000 0.966 482 T CB 1.445 70.265 68.868 -0.081 0.000 1.237 482 T HN 0.314 nan 8.240 nan 0.000 0.591 483 T N -1.168 113.373 114.554 -0.022 0.000 2.943 483 T HA 0.451 4.802 4.350 0.002 0.000 0.284 483 T C 0.168 174.857 174.700 -0.019 0.000 1.015 483 T CA -0.825 61.269 62.100 -0.011 0.000 1.042 483 T CB 0.609 69.474 68.868 -0.005 0.000 1.055 483 T HN 0.739 nan 8.240 nan 0.000 0.500 484 C N 4.530 123.825 119.300 -0.009 0.000 2.499 484 C HA 0.496 4.957 4.460 0.002 0.000 0.386 484 C C -0.912 174.073 174.990 -0.008 0.000 1.293 484 C CA -1.704 57.307 59.018 -0.010 0.000 1.884 484 C CB 0.115 27.857 27.740 0.004 0.000 2.509 484 C HN 0.797 nan 8.230 nan 0.000 0.566 485 P HA 0.031 nan 4.420 nan 0.000 0.253 485 P C 0.651 177.953 177.300 0.004 0.000 1.260 485 P CA 0.750 63.845 63.100 -0.007 0.000 0.800 485 P CB 0.091 31.781 31.700 -0.016 0.000 1.162 486 K N 0.433 120.838 120.400 0.009 0.000 2.159 486 K HA -0.027 4.294 4.320 0.002 0.000 0.210 486 K C 2.162 178.773 176.600 0.019 0.000 1.026 486 K CA 1.278 57.577 56.287 0.020 0.000 0.959 486 K CB -0.458 32.059 32.500 0.029 0.000 0.890 486 K HN 0.181 nan 8.250 nan 0.000 0.459 487 C N -1.666 117.646 119.300 0.018 0.000 2.602 487 C HA 0.523 4.984 4.460 0.002 0.000 0.282 487 C C 1.811 176.809 174.990 0.013 0.000 1.313 487 C CA 0.566 59.594 59.018 0.017 0.000 1.699 487 C CB -0.199 27.553 27.740 0.020 0.000 2.124 487 C HN 0.714 nan 8.230 nan 0.000 0.509 488 G N -0.220 108.587 108.800 0.011 0.000 2.273 488 G HA2 0.234 4.195 3.960 0.002 0.000 0.162 488 G HA3 0.234 4.195 3.960 0.002 0.000 0.162 488 G C 0.392 175.298 174.900 0.009 0.000 1.006 488 G CA 0.197 45.302 45.100 0.009 0.000 0.704 488 G HN 1.066 nan 8.290 nan 0.000 0.487 489 G N 0.152 108.959 108.800 0.012 0.000 2.525 489 G HA2 0.682 4.643 3.960 0.002 0.000 0.287 489 G HA3 0.682 4.643 3.960 0.002 0.000 0.287 489 G C -2.185 172.724 174.900 0.014 0.000 1.350 489 G CA -0.748 44.360 45.100 0.014 0.000 1.039 489 G HN 0.194 nan 8.290 nan 0.000 0.513 490 P HA 0.395 nan 4.420 nan 0.000 0.276 490 P C -0.491 176.826 177.300 0.028 0.000 1.243 490 P CA 0.135 63.249 63.100 0.023 0.000 0.768 490 P CB 1.466 33.183 31.700 0.027 0.000 0.856 491 A N 3.814 126.649 122.820 0.025 0.000 2.470 491 A HA 0.829 5.150 4.320 0.002 0.000 0.271 491 A C -0.723 176.885 177.584 0.039 0.000 1.269 491 A CA -0.612 51.441 52.037 0.027 0.000 0.828 491 A CB 1.488 20.488 19.000 -0.001 0.000 1.374 491 A HN 0.493 nan 8.150 nan 0.000 0.454 492 K N 0.465 120.883 120.400 0.030 0.000 2.588 492 K HA 0.340 4.661 4.320 0.002 0.000 0.250 492 K C -1.110 175.458 176.600 -0.054 0.000 0.972 492 K CA -0.426 55.884 56.287 0.038 0.000 0.821 492 K CB 1.359 33.896 32.500 0.062 0.000 1.249 492 K HN 0.748 nan 8.250 nan 0.000 0.442 493 R N 1.953 122.366 120.500 -0.145 0.000 2.590 493 R HA 0.002 4.343 4.340 0.002 0.000 0.274 493 R C -0.382 175.827 176.300 -0.151 0.000 1.061 493 R CA -0.266 55.674 56.100 -0.267 0.000 1.081 493 R CB 0.329 30.303 30.300 -0.544 0.000 0.984 493 R HN 0.543 nan 8.270 nan 0.000 0.448 494 D N 0.792 121.092 120.400 -0.166 0.000 2.417 494 D HA -0.052 4.589 4.640 0.002 0.000 0.250 494 D C 1.165 177.523 176.300 0.097 0.000 1.166 494 D CA 0.335 54.363 54.000 0.046 0.000 0.881 494 D CB 1.055 41.882 40.800 0.045 0.000 1.164 494 D HN 0.571 nan 8.370 nan 0.000 0.467 495 T N 0.113 114.757 114.554 0.150 0.000 3.055 495 T HA -0.048 4.303 4.350 0.002 0.000 0.265 495 T C 0.612 175.404 174.700 0.154 0.000 1.111 495 T CA 0.061 62.288 62.100 0.211 0.000 1.118 495 T CB 0.025 68.985 68.868 0.153 0.000 0.909 495 T HN 0.255 nan 8.240 nan 0.000 0.501 496 D N 2.626 123.089 120.400 0.104 0.000 2.360 496 D HA 0.334 4.975 4.640 0.002 0.000 0.242 496 D C 0.344 176.592 176.300 -0.086 0.000 1.184 496 D CA 0.427 54.453 54.000 0.043 0.000 0.930 496 D CB 1.422 42.279 40.800 0.097 0.000 1.161 496 D HN 0.530 nan 8.370 nan 0.000 0.447 497 T N -2.321 112.150 114.554 -0.139 0.000 2.906 497 T HA 0.548 4.899 4.350 0.002 0.000 0.295 497 T C 0.276 174.788 174.700 -0.314 0.000 1.075 497 T CA -0.962 60.968 62.100 -0.284 0.000 1.005 497 T CB 1.261 69.943 68.868 -0.310 0.000 1.136 497 T HN 0.174 nan 8.240 nan 0.000 0.498 498 M N 2.838 122.171 119.600 -0.445 0.000 2.219 498 M HA 0.156 4.637 4.480 0.002 0.000 0.353 498 M C 0.704 176.862 176.300 -0.237 0.000 1.304 498 M CA -0.302 54.755 55.300 -0.406 0.000 1.115 498 M CB 0.319 32.544 32.600 -0.625 0.000 1.664 498 M HN 0.741 nan 8.290 nan 0.000 0.459 499 D N 2.003 122.350 120.400 -0.088 0.000 2.419 499 D HA -0.077 4.564 4.640 0.002 0.000 0.236 499 D C 1.001 177.375 176.300 0.123 0.000 1.165 499 D CA 0.414 54.441 54.000 0.044 0.000 0.882 499 D CB 1.190 42.084 40.800 0.157 0.000 1.201 499 D HN 0.783 nan 8.370 nan 0.000 0.443 500 T N 2.780 117.401 114.554 0.111 0.000 2.624 500 T HA -0.272 4.079 4.350 0.002 0.000 0.268 500 T C 1.907 176.781 174.700 0.291 0.000 1.041 500 T CA 1.552 63.738 62.100 0.142 0.000 1.159 500 T CB -0.538 68.374 68.868 0.072 0.000 0.863 500 T HN 0.457 nan 8.240 nan 0.000 0.434 501 F N 0.581 120.755 119.950 0.375 0.000 2.214 501 F HA -0.001 4.527 4.527 0.002 0.000 0.302 501 F C 1.950 178.003 175.800 0.423 0.000 1.063 501 F CA 1.002 59.248 58.000 0.410 0.000 1.319 501 F CB -1.132 38.107 39.000 0.399 0.000 1.046 501 F HN 0.271 nan 8.300 nan 0.000 0.505 502 F N 1.855 122.059 119.950 0.424 0.000 2.046 502 F HA -0.284 4.244 4.527 0.002 0.000 0.297 502 F C 2.176 178.143 175.800 0.279 0.000 1.123 502 F CA 2.322 60.488 58.000 0.277 0.000 1.199 502 F CB -0.858 38.234 39.000 0.153 0.000 0.972 502 F HN 0.161 nan 8.300 nan 0.000 0.474 503 D N -0.950 119.894 120.400 0.740 0.000 2.310 503 D HA -0.121 4.520 4.640 0.002 0.000 0.212 503 D C 1.803 178.331 176.300 0.379 0.000 0.965 503 D CA 1.019 55.433 54.000 0.689 0.000 0.879 503 D CB -0.678 40.536 40.800 0.691 0.000 0.921 503 D HN 0.329 nan 8.370 nan 0.000 0.510 504 S N -1.042 114.898 115.700 0.400 0.000 2.634 504 S HA 0.193 4.664 4.470 0.002 0.000 0.221 504 S C 1.206 176.058 174.600 0.421 0.000 0.952 504 S CA -0.541 57.901 58.200 0.403 0.000 0.930 504 S CB 0.168 63.637 63.200 0.448 0.000 0.780 504 S HN 0.065 nan 8.310 nan 0.000 0.498 505 S N 1.120 116.900 115.700 0.132 0.000 2.539 505 S HA 0.243 4.714 4.470 0.002 0.000 0.221 505 S C 0.545 175.015 174.600 -0.218 0.000 0.987 505 S CA -0.417 57.736 58.200 -0.078 0.000 0.929 505 S CB -0.191 62.569 63.200 -0.733 0.000 0.832 505 S HN 0.978 nan 8.310 nan 0.000 0.492 506 W N 0.135 121.129 121.300 -0.510 0.000 1.479 506 W HA 0.221 4.882 4.660 0.002 0.000 0.224 506 W C 0.548 176.544 176.519 -0.871 0.000 0.799 506 W CA -0.455 56.388 57.345 -0.836 0.000 1.149 506 W CB -1.137 28.194 29.460 -0.215 0.000 0.935 506 W HN 0.324 nan 8.180 nan 0.000 0.454 507 Y N 1.707 121.281 120.300 -1.211 0.000 2.181 507 Y HA -0.240 4.311 4.550 0.002 0.000 0.288 507 Y C 2.581 177.908 175.900 -0.955 0.000 1.146 507 Y CA 1.977 59.417 58.100 -1.101 0.000 1.164 507 Y CB -1.768 36.154 38.460 -0.896 0.000 0.982 507 Y HN -0.033 nan 8.280 nan 0.000 0.515 508 Y N -0.163 119.414 120.300 -1.204 0.000 2.283 508 Y HA -0.195 4.356 4.550 0.002 0.000 0.285 508 Y C 1.907 177.627 175.900 -0.299 0.000 1.176 508 Y CA 1.043 58.728 58.100 -0.690 0.000 1.229 508 Y CB -1.408 36.680 38.460 -0.619 0.000 0.975 508 Y HN 0.271 nan 8.280 nan 0.000 0.537 509 L N -0.469 120.496 121.223 -0.429 0.000 2.162 509 L HA -0.023 4.318 4.340 0.002 0.000 0.205 509 L C 2.747 179.475 176.870 -0.238 0.000 1.086 509 L CA 0.976 55.633 54.840 -0.305 0.000 0.778 509 L CB -0.305 41.457 42.059 -0.494 0.000 0.928 509 L HN 0.118 nan 8.230 nan 0.000 0.446 510 R N -0.188 120.182 120.500 -0.216 0.000 2.096 510 R HA -0.206 4.135 4.340 0.002 0.000 0.235 510 R C 2.078 178.359 176.300 -0.031 0.000 1.127 510 R CA 1.660 57.718 56.100 -0.070 0.000 0.968 510 R CB -0.706 29.471 30.300 -0.204 0.000 0.861 510 R HN 0.185 nan 8.270 nan 0.000 0.440 511 Y N 0.457 120.714 120.300 -0.071 0.000 2.365 511 Y HA -0.218 4.333 4.550 0.002 0.000 0.287 511 Y C 2.412 178.200 175.900 -0.188 0.000 1.162 511 Y CA 1.710 59.729 58.100 -0.134 0.000 1.260 511 Y CB -1.200 37.168 38.460 -0.154 0.000 0.976 511 Y HN 0.348 nan 8.280 nan 0.000 0.548 512 T N -3.096 111.482 114.554 0.039 0.000 2.995 512 T HA -0.068 4.284 4.350 0.002 0.000 0.269 512 T C 0.358 175.084 174.700 0.044 0.000 1.091 512 T CA 1.316 63.425 62.100 0.015 0.000 1.128 512 T CB -0.062 68.885 68.868 0.132 0.000 0.891 512 T HN 0.167 nan 8.240 nan 0.000 0.492 513 D N 1.037 121.460 120.400 0.037 0.000 2.826 513 D HA 0.264 4.905 4.640 0.002 0.000 0.239 513 D C -2.250 174.057 176.300 0.011 0.000 1.329 513 D CA -1.394 52.627 54.000 0.034 0.000 0.854 513 D CB 1.416 42.271 40.800 0.092 0.000 1.494 513 D HN -0.002 nan 8.370 nan 0.000 0.540 514 P HA -0.045 nan 4.420 nan 0.000 0.233 514 P C 0.025 177.336 177.300 0.017 0.000 1.167 514 P CA 0.674 63.724 63.100 -0.082 0.000 0.770 514 P CB 0.031 31.599 31.700 -0.220 0.000 0.837 515 H N -1.149 117.997 119.070 0.127 0.000 2.505 515 H HA 0.258 4.815 4.556 0.002 0.000 0.260 515 H C 0.251 175.655 175.328 0.126 0.000 1.168 515 H CA -0.690 55.438 56.048 0.135 0.000 0.945 515 H CB 0.053 29.880 29.762 0.108 0.000 1.800 515 H HN 0.013 nan 8.280 nan 0.000 0.586 516 N N 1.984 120.804 118.700 0.200 0.000 2.438 516 N HA -0.018 4.723 4.740 0.002 0.000 0.282 516 N C -0.087 175.590 175.510 0.279 0.000 1.037 516 N CA -0.063 53.055 53.050 0.114 0.000 0.942 516 N CB 1.251 39.684 38.487 -0.090 0.000 1.136 516 N HN 0.512 nan 8.380 nan 0.000 0.481 517 D N 2.309 122.891 120.400 0.304 0.000 2.501 517 D HA 0.136 4.777 4.640 0.002 0.000 0.224 517 D C 0.492 177.075 176.300 0.471 0.000 1.202 517 D CA -0.081 54.200 54.000 0.469 0.000 0.829 517 D CB 0.585 41.526 40.800 0.236 0.000 1.023 517 D HN 0.367 nan 8.370 nan 0.000 0.499 518 R N -0.063 120.626 120.500 0.315 0.000 2.276 518 R HA 0.420 4.762 4.340 0.002 0.000 0.195 518 R C 0.604 176.906 176.300 0.005 0.000 0.908 518 R CA 0.203 56.427 56.100 0.206 0.000 1.083 518 R CB 1.292 31.624 30.300 0.053 0.000 1.182 518 R HN 0.135 nan 8.270 nan 0.000 0.608 519 L N -0.076 120.755 121.223 -0.654 0.000 2.479 519 L HA 0.378 4.719 4.340 0.002 0.000 0.255 519 L C -2.102 173.473 176.870 -2.158 0.000 1.026 519 L CA -2.142 51.879 54.840 -1.366 0.000 0.842 519 L CB 2.902 44.445 42.059 -0.861 0.000 1.444 519 L HN -0.294 nan 8.230 nan 0.000 0.409 520 P HA -0.104 nan 4.420 nan 0.000 0.221 520 P C -0.926 175.988 177.300 -0.644 0.000 1.145 520 P CA 1.360 63.508 63.100 -1.588 0.000 0.795 520 P CB 0.046 31.004 31.700 -1.237 0.000 0.775 521 F N -5.205 114.356 119.950 -0.649 0.000 2.804 521 F HA 0.344 4.873 4.527 0.002 0.000 0.320 521 F C -1.796 173.856 175.800 -0.248 0.000 1.135 521 F CA -1.821 55.990 58.000 -0.314 0.000 0.947 521 F CB 0.157 39.082 39.000 -0.126 0.000 1.260 521 F HN -0.432 nan 8.300 nan 0.000 0.447 522 D N 3.502 123.961 120.400 0.098 0.000 2.317 522 D HA 0.395 5.036 4.640 0.002 0.000 0.252 522 D C -1.855 174.575 176.300 0.215 0.000 1.174 522 D CA -2.227 51.801 54.000 0.046 0.000 0.866 522 D CB 1.911 42.735 40.800 0.040 0.000 1.127 522 D HN 0.290 nan 8.370 nan 0.000 0.467 523 P HA -0.192 nan 4.420 nan 0.000 0.216 523 P C 1.125 178.514 177.300 0.148 0.000 1.154 523 P CA 1.192 64.423 63.100 0.218 0.000 0.865 523 P CB 0.238 31.995 31.700 0.096 0.000 0.789 524 E N -0.166 120.087 120.200 0.089 0.000 2.097 524 E HA -0.273 4.078 4.350 0.002 0.000 0.196 524 E C 1.629 178.271 176.600 0.069 0.000 1.000 524 E CA 1.431 57.866 56.400 0.058 0.000 0.804 524 E CB -0.083 29.640 29.700 0.039 0.000 0.740 524 E HN 0.081 nan 8.360 nan 0.000 0.454 525 K N 0.349 120.817 120.400 0.113 0.000 1.965 525 K HA -0.077 4.244 4.320 0.002 0.000 0.214 525 K C 2.276 178.983 176.600 0.179 0.000 1.042 525 K CA 1.082 57.462 56.287 0.155 0.000 0.950 525 K CB -1.104 31.505 32.500 0.182 0.000 0.733 525 K HN 0.208 nan 8.250 nan 0.000 0.441 526 A N 2.813 125.728 122.820 0.159 0.000 1.985 526 A HA -0.282 4.039 4.320 0.002 0.000 0.223 526 A C 1.945 179.573 177.584 0.072 0.000 1.189 526 A CA 2.315 54.389 52.037 0.061 0.000 0.658 526 A CB -0.716 18.170 19.000 -0.190 0.000 0.820 526 A HN 0.380 nan 8.150 nan 0.000 0.464 527 N N -0.212 118.524 118.700 0.060 0.000 2.331 527 N HA -0.013 4.728 4.740 0.002 0.000 0.180 527 N C 1.769 177.263 175.510 -0.026 0.000 1.019 527 N CA 1.313 54.371 53.050 0.013 0.000 0.881 527 N CB -0.492 38.002 38.487 0.013 0.000 0.972 527 N HN 0.535 nan 8.380 nan 0.000 0.435 528 A N -0.744 122.045 122.820 -0.053 0.000 2.014 528 A HA -0.036 4.285 4.320 0.002 0.000 0.218 528 A C 1.802 179.167 177.584 -0.366 0.000 1.163 528 A CA 0.699 52.596 52.037 -0.233 0.000 0.652 528 A CB -0.545 18.266 19.000 -0.314 0.000 0.808 528 A HN 0.357 nan 8.150 nan 0.000 0.449 529 W N -1.269 120.059 121.300 0.047 0.000 2.699 529 W HA 0.294 4.955 4.660 0.002 0.000 0.267 529 W C 0.899 177.505 176.519 0.144 0.000 1.182 529 W CA -0.538 56.885 57.345 0.130 0.000 1.453 529 W CB -0.008 29.563 29.460 0.186 0.000 1.054 529 W HN -0.014 nan 8.180 nan 0.000 0.595 530 M N 2.696 122.445 119.600 0.249 0.000 2.245 530 M HA 0.046 4.527 4.480 0.002 0.000 0.312 530 M C -1.686 174.594 176.300 -0.033 0.000 1.070 530 M CA -1.347 53.957 55.300 0.006 0.000 1.162 530 M CB -0.897 31.654 32.600 -0.081 0.000 1.448 530 M HN -0.195 nan 8.290 nan 0.000 0.446 531 P HA 0.229 nan 4.420 nan 0.000 0.282 531 P C -0.683 176.449 177.300 -0.281 0.000 1.287 531 P CA -0.575 62.389 63.100 -0.227 0.000 0.792 531 P CB 0.620 32.195 31.700 -0.208 0.000 1.163 532 V N 1.761 121.403 119.914 -0.453 0.000 2.521 532 V HA -0.049 4.072 4.120 0.002 0.000 0.286 532 V C 1.199 177.202 176.094 -0.152 0.000 1.034 532 V CA 0.898 62.890 62.300 -0.515 0.000 1.045 532 V CB -0.331 31.240 31.823 -0.421 0.000 0.974 532 V HN 0.501 nan 8.190 nan 0.000 0.480 533 D N 2.761 123.140 120.400 -0.034 0.000 2.162 533 D HA 0.007 4.648 4.640 0.002 0.000 0.203 533 D C 0.728 177.037 176.300 0.014 0.000 0.967 533 D CA 1.004 55.004 54.000 0.000 0.000 0.840 533 D CB 0.208 41.011 40.800 0.004 0.000 0.972 533 D HN 0.529 nan 8.370 nan 0.000 0.482 534 Q N -0.807 119.019 119.800 0.043 0.000 2.263 534 Q HA 0.286 4.627 4.340 0.002 0.000 0.266 534 Q C -2.013 174.055 176.000 0.112 0.000 1.002 534 Q CA -0.684 55.151 55.803 0.054 0.000 0.790 534 Q CB 1.177 29.923 28.738 0.012 0.000 1.272 534 Q HN 0.073 nan 8.270 nan 0.000 0.435 535 Y N 4.581 124.806 120.300 -0.125 0.000 2.464 535 Y HA 0.519 5.070 4.550 0.002 0.000 0.326 535 Y C -1.209 174.579 175.900 -0.185 0.000 0.969 535 Y CA -1.359 56.599 58.100 -0.236 0.000 1.270 535 Y CB 0.500 38.643 38.460 -0.528 0.000 1.103 535 Y HN 0.613 nan 8.280 nan 0.000 0.491 536 I N 5.550 125.997 120.570 -0.205 0.000 2.416 536 I HA 0.605 4.776 4.170 0.002 0.000 0.288 536 I C 0.784 176.648 176.117 -0.422 0.000 1.051 536 I CA 0.577 61.773 61.300 -0.174 0.000 1.375 536 I CB 0.675 38.640 38.000 -0.057 0.000 1.407 536 I HN 0.728 nan 8.210 nan 0.000 0.516 537 G N 3.265 111.850 108.800 -0.359 0.000 2.510 537 G HA2 0.654 4.615 3.960 0.002 0.000 0.277 537 G HA3 0.654 4.615 3.960 0.002 0.000 0.277 537 G C -0.857 173.897 174.900 -0.245 0.000 1.223 537 G CA -0.092 44.784 45.100 -0.373 0.000 0.887 537 G HN 0.784 nan 8.290 nan 0.000 0.485 538 G N -1.757 106.936 108.800 -0.177 0.000 2.735 538 G HA2 0.557 4.518 3.960 0.002 0.000 0.301 538 G HA3 0.557 4.518 3.960 0.002 0.000 0.301 538 G C 0.418 175.247 174.900 -0.118 0.000 1.279 538 G CA 0.389 45.410 45.100 -0.132 0.000 1.019 538 G HN 0.995 nan 8.290 nan 0.000 0.497 539 V N 0.459 120.307 119.914 -0.110 0.000 3.125 539 V HA 0.007 4.129 4.120 0.002 0.000 0.249 539 V C 2.542 178.593 176.094 -0.073 0.000 1.113 539 V CA 1.404 63.647 62.300 -0.094 0.000 1.106 539 V CB 0.058 31.826 31.823 -0.092 0.000 0.768 539 V HN 0.835 nan 8.190 nan 0.000 0.468 540 E N 0.489 120.630 120.200 -0.098 0.000 2.333 540 E HA -0.279 4.072 4.350 0.002 0.000 0.200 540 E C 1.030 177.552 176.600 -0.129 0.000 1.010 540 E CA 1.425 57.754 56.400 -0.119 0.000 0.841 540 E CB -0.518 29.091 29.700 -0.151 0.000 0.757 540 E HN 0.650 nan 8.360 nan 0.000 0.508 541 H N -0.023 119.057 119.070 0.016 0.000 2.524 541 H HA 0.447 5.004 4.556 0.002 0.000 0.299 541 H C 1.410 176.690 175.328 -0.081 0.000 1.074 541 H CA 0.318 56.381 56.048 0.025 0.000 1.115 541 H CB 0.359 30.201 29.762 0.133 0.000 1.522 541 H HN 0.311 nan 8.280 nan 0.000 0.543 542 A N 0.762 123.564 122.820 -0.029 0.000 1.828 542 A HA -0.139 4.182 4.320 0.002 0.000 0.215 542 A C 2.003 179.456 177.584 -0.218 0.000 1.203 542 A CA 2.002 53.988 52.037 -0.085 0.000 0.614 542 A CB -0.797 18.153 19.000 -0.083 0.000 0.844 542 A HN 0.254 nan 8.150 nan 0.000 0.445 543 V N -2.639 117.028 119.914 -0.410 0.000 3.416 543 V HA 0.437 4.558 4.120 0.002 0.000 0.334 543 V C 0.902 176.422 176.094 -0.957 0.000 1.271 543 V CA 0.396 62.216 62.300 -0.799 0.000 1.274 543 V CB -1.089 29.925 31.823 -1.348 0.000 1.153 543 V HN 0.398 nan 8.190 nan 0.000 0.433 544 L N -1.090 119.703 121.223 -0.717 0.000 3.660 544 L HA 0.418 4.759 4.340 0.002 0.000 0.198 544 L C 2.221 178.598 176.870 -0.822 0.000 1.268 544 L CA 0.366 54.603 54.840 -1.006 0.000 1.618 544 L CB -0.603 41.036 42.059 -0.700 0.000 1.863 544 L HN 0.259 nan 8.230 nan 0.000 0.860 545 H N 0.955 119.730 119.070 -0.492 0.000 2.319 545 H HA -0.089 4.468 4.556 0.002 0.000 0.299 545 H C 1.840 177.179 175.328 0.017 0.000 1.092 545 H CA 1.988 57.952 56.048 -0.140 0.000 1.302 545 H CB -0.248 29.457 29.762 -0.096 0.000 1.373 545 H HN 0.155 nan 8.280 nan 0.000 0.497 546 L N -0.196 120.963 121.223 -0.106 0.000 2.642 546 L HA -0.085 4.256 4.340 0.002 0.000 0.236 546 L C 1.727 178.622 176.870 0.041 0.000 1.169 546 L CA 0.284 55.141 54.840 0.028 0.000 0.851 546 L CB -0.191 41.926 42.059 0.096 0.000 0.968 546 L HN 0.329 nan 8.230 nan 0.000 0.453 547 L N -2.181 118.934 121.223 -0.181 0.000 2.590 547 L HA 0.079 4.420 4.340 0.002 0.000 0.181 547 L C 2.136 178.938 176.870 -0.112 0.000 1.134 547 L CA 1.063 55.780 54.840 -0.205 0.000 0.850 547 L CB -0.691 41.103 42.059 -0.442 0.000 1.172 547 L HN -0.090 nan 8.230 nan 0.000 0.498 548 Y N 0.664 120.825 120.300 -0.232 0.000 2.181 548 Y HA -0.243 4.308 4.550 0.002 0.000 0.284 548 Y C 2.816 178.787 175.900 0.120 0.000 1.179 548 Y CA 1.538 59.536 58.100 -0.170 0.000 1.179 548 Y CB -1.525 36.616 38.460 -0.531 0.000 0.973 548 Y HN 0.236 nan 8.280 nan 0.000 0.519 549 S N -0.263 115.523 115.700 0.144 0.000 2.368 549 S HA -0.173 4.298 4.470 0.002 0.000 0.225 549 S C 2.031 176.676 174.600 0.075 0.000 1.030 549 S CA 1.285 59.553 58.200 0.113 0.000 0.999 549 S CB -0.202 62.963 63.200 -0.058 0.000 0.844 549 S HN 0.469 nan 8.310 nan 0.000 0.459 550 R N 0.525 121.030 120.500 0.009 0.000 2.061 550 R HA -0.043 4.298 4.340 0.002 0.000 0.230 550 R C 2.170 178.506 176.300 0.060 0.000 1.140 550 R CA 1.559 57.633 56.100 -0.044 0.000 0.940 550 R CB -0.780 29.482 30.300 -0.062 0.000 0.839 550 R HN 0.443 nan 8.270 nan 0.000 0.429 551 F N 1.529 121.470 119.950 -0.016 0.000 2.063 551 F HA -0.264 4.265 4.527 0.002 0.000 0.298 551 F C 1.890 177.646 175.800 -0.074 0.000 1.109 551 F CA 1.275 59.197 58.000 -0.129 0.000 1.212 551 F CB -0.773 38.200 39.000 -0.046 0.000 0.973 551 F HN -0.119 nan 8.300 nan 0.000 0.480 552 F N 1.060 120.734 119.950 -0.461 0.000 2.120 552 F HA -0.231 4.298 4.527 0.002 0.000 0.300 552 F C 2.615 178.327 175.800 -0.146 0.000 1.095 552 F CA 2.336 60.077 58.000 -0.432 0.000 1.249 552 F CB -1.114 37.823 39.000 -0.106 0.000 0.995 552 F HN 0.002 nan 8.300 nan 0.000 0.480 553 T N -0.346 114.275 114.554 0.112 0.000 2.737 553 T HA -0.170 4.181 4.350 0.002 0.000 0.265 553 T C 1.956 176.681 174.700 0.042 0.000 1.038 553 T CA 1.416 63.560 62.100 0.073 0.000 1.144 553 T CB -0.182 68.650 68.868 -0.059 0.000 0.866 553 T HN 0.177 nan 8.240 nan 0.000 0.434 554 K N 0.632 121.043 120.400 0.018 0.000 2.044 554 K HA -0.126 4.195 4.320 0.002 0.000 0.210 554 K C 2.040 178.734 176.600 0.158 0.000 1.049 554 K CA 1.644 58.012 56.287 0.136 0.000 0.927 554 K CB -0.476 32.134 32.500 0.184 0.000 0.713 554 K HN 0.338 nan 8.250 nan 0.000 0.443 555 F N 1.878 121.705 119.950 -0.205 0.000 2.134 555 F HA -0.146 4.382 4.527 0.002 0.000 0.299 555 F C 1.746 177.510 175.800 -0.061 0.000 1.097 555 F CA 1.252 59.163 58.000 -0.148 0.000 1.264 555 F CB -0.216 38.452 39.000 -0.553 0.000 1.001 555 F HN -0.096 nan 8.300 nan 0.000 0.479 556 L N -0.391 120.692 121.223 -0.234 0.000 2.201 556 L HA -0.224 4.117 4.340 0.002 0.000 0.212 556 L C 2.659 179.485 176.870 -0.073 0.000 1.105 556 L CA 1.550 56.266 54.840 -0.207 0.000 0.775 556 L CB -0.958 41.169 42.059 0.114 0.000 0.913 556 L HN 0.394 nan 8.230 nan 0.000 0.440 557 H N 0.041 119.051 119.070 -0.100 0.000 2.326 557 H HA -0.166 4.391 4.556 0.002 0.000 0.301 557 H C 1.276 176.555 175.328 -0.082 0.000 1.081 557 H CA 1.252 57.268 56.048 -0.053 0.000 1.334 557 H CB 0.374 30.127 29.762 -0.015 0.000 1.385 557 H HN 0.291 nan 8.280 nan 0.000 0.504 558 D N 0.712 121.008 120.400 -0.174 0.000 2.384 558 D HA -0.075 4.566 4.640 0.002 0.000 0.222 558 D C 1.541 177.687 176.300 -0.256 0.000 0.976 558 D CA 0.500 54.355 54.000 -0.242 0.000 0.915 558 D CB 0.190 40.945 40.800 -0.075 0.000 0.896 558 D HN 0.485 nan 8.370 nan 0.000 0.523 559 L N -0.829 120.219 121.223 -0.292 0.000 2.693 559 L HA 0.220 4.561 4.340 0.002 0.000 0.235 559 L C 1.213 178.001 176.870 -0.135 0.000 1.127 559 L CA -0.011 54.678 54.840 -0.253 0.000 0.914 559 L CB 0.234 42.085 42.059 -0.347 0.000 1.193 559 L HN -0.015 nan 8.230 nan 0.000 0.502 560 G N 0.713 109.451 108.800 -0.103 0.000 2.249 560 G HA2 -0.322 3.639 3.960 0.002 0.000 0.273 560 G HA3 -0.322 3.639 3.960 0.002 0.000 0.273 560 G C 0.685 175.596 174.900 0.019 0.000 1.036 560 G CA 0.636 45.721 45.100 -0.026 0.000 0.824 560 G HN 0.369 nan 8.290 nan 0.000 0.504 561 M N -1.307 118.316 119.600 0.038 0.000 2.461 561 M HA 0.247 4.728 4.480 0.002 0.000 0.255 561 M C 0.262 176.701 176.300 0.232 0.000 1.137 561 M CA 0.754 56.098 55.300 0.074 0.000 1.086 561 M CB 0.983 33.554 32.600 -0.049 0.000 1.356 561 M HN 0.058 nan 8.290 nan 0.000 0.487 562 V N 0.587 120.623 119.914 0.203 0.000 2.488 562 V HA 0.155 4.276 4.120 0.002 0.000 0.293 562 V C 0.624 176.752 176.094 0.056 0.000 1.027 562 V CA -0.777 61.609 62.300 0.144 0.000 0.862 562 V CB 1.811 33.703 31.823 0.116 0.000 1.008 562 V HN 0.194 nan 8.190 nan 0.000 0.428 563 K N 3.628 124.031 120.400 0.006 0.000 2.044 563 K HA -0.143 4.179 4.320 0.002 0.000 0.210 563 K C 1.029 177.451 176.600 -0.297 0.000 1.049 563 K CA 2.094 58.342 56.287 -0.065 0.000 0.927 563 K CB 0.091 32.568 32.500 -0.039 0.000 0.713 563 K HN 0.718 nan 8.250 nan 0.000 0.443 564 V N -0.753 119.004 119.914 -0.261 0.000 3.503 564 V HA 0.020 4.141 4.120 0.002 0.000 0.300 564 V C 0.531 176.348 176.094 -0.462 0.000 1.099 564 V CA 0.192 62.304 62.300 -0.314 0.000 1.117 564 V CB 1.100 32.782 31.823 -0.234 0.000 1.122 564 V HN 0.354 nan 8.190 nan 0.000 0.476 565 E N -1.207 118.781 120.200 -0.353 0.000 2.603 565 E HA 0.239 4.590 4.350 0.002 0.000 0.224 565 E C -0.486 175.984 176.600 -0.216 0.000 0.896 565 E CA -0.115 56.120 56.400 -0.274 0.000 1.224 565 E CB 0.761 30.349 29.700 -0.187 0.000 1.206 565 E HN 0.762 nan 8.360 nan 0.000 0.576 566 E N 1.422 121.461 120.200 -0.268 0.000 2.244 566 E HA 0.145 4.496 4.350 0.002 0.000 0.260 566 E C -2.001 174.348 176.600 -0.419 0.000 0.884 566 E CA -1.787 54.419 56.400 -0.323 0.000 0.777 566 E CB 2.035 31.558 29.700 -0.294 0.000 1.197 566 E HN -0.035 nan 8.360 nan 0.000 0.416 567 P HA -0.044 nan 4.420 nan 0.000 0.217 567 P C 0.076 176.803 177.300 -0.955 0.000 1.151 567 P CA 0.801 63.268 63.100 -1.055 0.000 0.828 567 P CB 0.228 30.820 31.700 -1.847 0.000 0.788 568 F N 0.521 120.276 119.950 -0.326 0.000 2.347 568 F HA 0.427 4.955 4.527 0.002 0.000 0.366 568 F C 1.855 177.716 175.800 0.101 0.000 1.107 568 F CA -1.037 56.838 58.000 -0.208 0.000 1.058 568 F CB 0.681 39.545 39.000 -0.227 0.000 1.236 568 F HN -0.149 nan 8.300 nan 0.000 0.456 569 Q N 2.671 122.555 119.800 0.140 0.000 1.994 569 Q HA 0.102 4.443 4.340 0.002 0.000 0.198 569 Q C 0.897 177.051 176.000 0.257 0.000 0.976 569 Q CA 1.054 56.940 55.803 0.138 0.000 0.828 569 Q CB 0.046 28.797 28.738 0.022 0.000 0.894 569 Q HN 0.849 nan 8.270 nan 0.000 0.432 570 G N 0.807 109.703 108.800 0.160 0.000 2.356 570 G HA2 0.470 4.431 3.960 0.002 0.000 0.322 570 G HA3 0.470 4.431 3.960 0.002 0.000 0.322 570 G C -1.633 173.279 174.900 0.020 0.000 1.125 570 G CA -0.489 44.681 45.100 0.116 0.000 0.885 570 G HN 0.220 nan 8.290 nan 0.000 0.467 571 L N 3.200 124.347 121.223 -0.125 0.000 2.433 571 L HA 0.535 4.876 4.340 0.002 0.000 0.256 571 L C -1.280 175.462 176.870 -0.212 0.000 1.063 571 L CA -1.036 53.583 54.840 -0.368 0.000 0.922 571 L CB 0.623 42.009 42.059 -1.121 0.000 1.238 571 L HN 0.418 nan 8.230 nan 0.000 0.466 572 F N 3.717 123.541 119.950 -0.210 0.000 2.404 572 F HA 0.549 5.077 4.527 0.002 0.000 0.358 572 F C 0.837 176.526 175.800 -0.186 0.000 1.120 572 F CA -0.152 57.748 58.000 -0.165 0.000 1.144 572 F CB 0.877 39.809 39.000 -0.113 0.000 1.133 572 F HN 0.605 nan 8.300 nan 0.000 0.495 573 T N 3.230 117.291 114.554 -0.822 0.000 2.881 573 T HA 0.552 4.903 4.350 0.002 0.000 0.278 573 T C -0.457 173.878 174.700 -0.610 0.000 0.982 573 T CA -0.913 60.849 62.100 -0.564 0.000 0.989 573 T CB 1.642 70.260 68.868 -0.417 0.000 1.058 573 T HN 0.526 nan 8.240 nan 0.000 0.529 574 Q N -0.466 119.173 119.800 -0.268 0.000 2.458 574 Q HA 0.639 4.980 4.340 0.002 0.000 0.282 574 Q C -0.047 175.898 176.000 -0.091 0.000 1.106 574 Q CA -0.825 54.915 55.803 -0.105 0.000 0.814 574 Q CB 2.175 30.913 28.738 0.001 0.000 1.425 574 Q HN 1.032 nan 8.270 nan 0.000 0.437 575 G N 0.234 109.016 108.800 -0.031 0.000 2.461 575 G HA2 0.594 4.555 3.960 0.002 0.000 0.329 575 G HA3 0.594 4.555 3.960 0.002 0.000 0.329 575 G C -0.225 174.677 174.900 0.004 0.000 1.170 575 G CA -0.685 44.400 45.100 -0.024 0.000 0.935 575 G HN 0.367 nan 8.290 nan 0.000 0.492 576 M N 0.784 120.386 119.600 0.004 0.000 2.238 576 M HA 0.186 4.667 4.480 0.002 0.000 0.347 576 M C -0.060 176.264 176.300 0.040 0.000 1.173 576 M CA -0.267 55.046 55.300 0.022 0.000 1.147 576 M CB 1.296 33.908 32.600 0.020 0.000 1.547 576 M HN 0.043 nan 8.290 nan 0.000 0.455 577 V N 3.811 123.754 119.914 0.049 0.000 2.649 577 V HA 0.354 4.475 4.120 0.002 0.000 0.292 577 V C -0.037 176.102 176.094 0.076 0.000 1.055 577 V CA -0.546 61.800 62.300 0.076 0.000 1.023 577 V CB 1.145 33.002 31.823 0.057 0.000 0.992 577 V HN 0.585 nan 8.190 nan 0.000 0.480 578 L N 2.878 124.167 121.223 0.109 0.000 2.327 578 L HA 0.972 5.313 4.340 0.002 0.000 0.258 578 L C -0.027 176.937 176.870 0.157 0.000 1.024 578 L CA -0.234 54.659 54.840 0.088 0.000 0.825 578 L CB 2.030 44.099 42.059 0.017 0.000 1.386 578 L HN 0.880 nan 8.230 nan 0.000 0.417 579 A N -0.149 122.752 122.820 0.135 0.000 2.587 579 A HA 0.694 5.015 4.320 0.002 0.000 0.293 579 A C -2.202 175.508 177.584 0.211 0.000 1.087 579 A CA -0.584 51.605 52.037 0.253 0.000 0.692 579 A CB 0.632 19.802 19.000 0.284 0.000 1.291 579 A HN 0.535 nan 8.150 nan 0.000 0.407 580 W N 1.272 122.769 121.300 0.329 0.000 2.304 580 W HA 0.495 5.156 4.660 0.002 0.000 0.313 580 W C 0.281 177.093 176.519 0.489 0.000 1.323 580 W CA 0.892 58.490 57.345 0.421 0.000 1.223 580 W CB 1.285 31.029 29.460 0.472 0.000 1.237 580 W HN 0.583 nan 8.180 nan 0.000 0.535 581 T N 3.182 118.064 114.554 0.546 0.000 2.888 581 T HA 0.086 4.438 4.350 0.002 0.000 0.284 581 T C -0.823 173.856 174.700 -0.035 0.000 1.017 581 T CA -0.786 61.480 62.100 0.276 0.000 1.022 581 T CB 1.395 70.397 68.868 0.223 0.000 1.013 581 T HN 0.160 nan 8.240 nan 0.000 0.465 582 D N 1.242 121.351 120.400 -0.486 0.000 2.325 582 D HA 0.173 4.814 4.640 0.002 0.000 0.251 582 D C -0.406 175.614 176.300 -0.467 0.000 1.196 582 D CA -0.161 53.386 54.000 -0.754 0.000 0.866 582 D CB 0.361 40.799 40.800 -0.603 0.000 1.101 582 D HN 0.446 nan 8.370 nan 0.000 0.476 583 F N 1.933 121.647 119.950 -0.392 0.000 2.639 583 F HA 0.282 4.810 4.527 0.002 0.000 0.300 583 F C 1.437 177.079 175.800 -0.264 0.000 1.109 583 F CA 0.355 58.207 58.000 -0.247 0.000 1.335 583 F CB 0.474 39.375 39.000 -0.164 0.000 1.014 583 F HN 0.586 nan 8.300 nan 0.000 0.537 584 G N 1.057 109.677 108.800 -0.300 0.000 2.592 584 G HA2 -0.120 3.841 3.960 0.002 0.000 0.684 584 G HA3 -0.120 3.841 3.960 0.002 0.000 0.684 584 G C -3.034 171.519 174.900 -0.579 0.000 1.291 584 G CA -1.319 43.565 45.100 -0.361 0.000 0.891 584 G HN -0.065 nan 8.290 nan 0.000 0.544 585 P HA 0.599 nan 4.420 nan 0.000 0.276 585 P C -0.085 177.119 177.300 -0.159 0.000 1.252 585 P CA 0.227 63.111 63.100 -0.360 0.000 0.802 585 P CB 1.625 33.248 31.700 -0.127 0.000 1.035 586 V N -2.696 117.180 119.914 -0.064 0.000 3.087 586 V HA 0.511 4.632 4.120 0.002 0.000 0.306 586 V C -0.936 175.174 176.094 0.027 0.000 1.187 586 V CA -0.997 61.295 62.300 -0.012 0.000 0.999 586 V CB 2.224 34.049 31.823 0.002 0.000 1.049 586 V HN 0.427 nan 8.190 nan 0.000 0.431 587 E N 2.135 122.350 120.200 0.026 0.000 2.103 587 E HA 0.516 4.867 4.350 0.002 0.000 0.254 587 E C -0.908 175.714 176.600 0.036 0.000 0.940 587 E CA -0.596 55.825 56.400 0.034 0.000 0.771 587 E CB 1.908 31.624 29.700 0.026 0.000 1.153 587 E HN 0.604 nan 8.360 nan 0.000 0.428 588 V N 2.866 122.807 119.914 0.046 0.000 2.488 588 V HA 0.133 4.254 4.120 0.002 0.000 0.277 588 V C 0.160 176.277 176.094 0.038 0.000 1.046 588 V CA -0.099 62.228 62.300 0.044 0.000 0.986 588 V CB 0.996 32.852 31.823 0.055 0.000 0.989 588 V HN 0.603 nan 8.190 nan 0.000 0.475 589 E N 4.066 124.285 120.200 0.032 0.000 2.460 589 E HA 0.554 4.905 4.350 0.002 0.000 0.249 589 E C 0.348 176.964 176.600 0.026 0.000 0.962 589 E CA 0.508 56.925 56.400 0.028 0.000 0.787 589 E CB 0.842 30.557 29.700 0.024 0.000 1.341 589 E HN 0.885 nan 8.360 nan 0.000 0.407 590 G N 3.378 112.194 108.800 0.026 0.000 2.557 590 G HA2 -0.354 3.607 3.960 0.002 0.000 0.292 590 G HA3 -0.354 3.607 3.960 0.002 0.000 0.292 590 G C 0.777 175.692 174.900 0.026 0.000 1.162 590 G CA 0.558 45.672 45.100 0.024 0.000 0.964 590 G HN 1.227 nan 8.290 nan 0.000 0.541 591 S N -0.309 115.405 115.700 0.023 0.000 2.568 591 S HA 0.610 5.081 4.470 0.002 0.000 0.232 591 S C 0.224 174.839 174.600 0.024 0.000 0.975 591 S CA 0.676 58.890 58.200 0.024 0.000 0.949 591 S CB 0.678 63.891 63.200 0.021 0.000 0.829 591 S HN 1.257 nan 8.310 nan 0.000 0.479 592 V N 1.651 121.579 119.914 0.024 0.000 2.459 592 V HA 0.522 4.643 4.120 0.002 0.000 0.295 592 V C -0.421 175.688 176.094 0.025 0.000 1.029 592 V CA -0.729 61.584 62.300 0.022 0.000 0.874 592 V CB 1.707 33.541 31.823 0.019 0.000 0.985 592 V HN 0.246 nan 8.190 nan 0.000 0.438 593 V N 5.230 125.159 119.914 0.024 0.000 2.276 593 V HA 0.384 4.505 4.120 0.002 0.000 0.268 593 V C 0.381 176.487 176.094 0.020 0.000 1.032 593 V CA -0.596 61.719 62.300 0.026 0.000 0.810 593 V CB 0.798 32.639 31.823 0.030 0.000 1.060 593 V HN 0.811 nan 8.190 nan 0.000 0.446 594 R N 3.166 123.677 120.500 0.019 0.000 2.590 594 R HA 0.469 4.810 4.340 0.002 0.000 0.274 594 R C -0.722 175.584 176.300 0.010 0.000 1.061 594 R CA -0.041 56.068 56.100 0.014 0.000 1.081 594 R CB 0.599 30.908 30.300 0.014 0.000 0.984 594 R HN 0.585 nan 8.270 nan 0.000 0.448 595 L N 6.725 127.952 121.223 0.006 0.000 2.316 595 L HA 0.421 4.762 4.340 0.002 0.000 0.280 595 L C -1.899 174.970 176.870 -0.001 0.000 1.006 595 L CA -2.190 52.650 54.840 0.001 0.000 0.836 595 L CB 1.877 43.937 42.059 0.001 0.000 1.221 595 L HN 0.533 nan 8.230 nan 0.000 0.418 596 P HA 0.042 nan 4.420 nan 0.000 0.271 596 P C 0.124 177.420 177.300 -0.006 0.000 1.218 596 P CA -0.271 62.825 63.100 -0.006 0.000 0.780 596 P CB 1.206 32.898 31.700 -0.013 0.000 0.901 597 E N 2.603 122.801 120.200 -0.003 0.000 2.130 597 E HA -0.160 4.191 4.350 0.002 0.000 0.196 597 E C -0.760 175.837 176.600 -0.005 0.000 0.998 597 E CA 1.835 58.234 56.400 -0.001 0.000 0.806 597 E CB -2.088 27.612 29.700 0.000 0.000 0.738 597 E HN 0.508 nan 8.360 nan 0.000 0.459 598 P HA -0.100 nan 4.420 nan 0.000 0.215 598 P C 1.460 178.748 177.300 -0.021 0.000 1.153 598 P CA 1.616 64.704 63.100 -0.021 0.000 0.853 598 P CB -0.022 31.659 31.700 -0.031 0.000 0.788 599 T N -1.014 113.528 114.554 -0.019 0.000 2.684 599 T HA -0.098 4.253 4.350 0.002 0.000 0.253 599 T C 1.844 176.566 174.700 0.038 0.000 1.057 599 T CA 0.855 62.955 62.100 0.001 0.000 1.162 599 T CB -0.664 68.192 68.868 -0.020 0.000 0.868 599 T HN 0.059 nan 8.240 nan 0.000 0.409 600 R N 0.736 121.248 120.500 0.020 0.000 2.178 600 R HA -0.167 4.174 4.340 0.002 0.000 0.257 600 R C 2.274 178.594 176.300 0.033 0.000 1.163 600 R CA 1.590 57.703 56.100 0.022 0.000 0.981 600 R CB -0.627 29.679 30.300 0.011 0.000 0.878 600 R HN 0.442 nan 8.270 nan 0.000 0.454 601 I N -0.040 120.547 120.570 0.029 0.000 2.202 601 I HA -0.238 3.933 4.170 0.002 0.000 0.242 601 I C 2.546 178.695 176.117 0.054 0.000 1.091 601 I CA 1.268 62.586 61.300 0.030 0.000 1.368 601 I CB -0.239 37.769 38.000 0.014 0.000 1.058 601 I HN 0.213 nan 8.210 nan 0.000 0.410 602 R N 0.411 120.953 120.500 0.070 0.000 2.148 602 R HA -0.061 4.280 4.340 0.002 0.000 0.227 602 R C 2.101 178.577 176.300 0.294 0.000 1.103 602 R CA 0.951 57.123 56.100 0.119 0.000 0.983 602 R CB -0.117 30.198 30.300 0.025 0.000 0.874 602 R HN 0.374 nan 8.270 nan 0.000 0.451 603 L N 0.793 122.155 121.223 0.232 0.000 2.552 603 L HA -0.014 4.327 4.340 0.002 0.000 0.227 603 L C -0.028 176.869 176.870 0.044 0.000 1.146 603 L CA 0.433 55.334 54.840 0.100 0.000 0.858 603 L CB -0.265 41.786 42.059 -0.012 0.000 0.969 603 L HN 0.258 nan 8.230 nan 0.000 0.451 604 E N 1.382 121.621 120.200 0.064 0.000 2.210 604 E HA -0.229 4.122 4.350 0.002 0.000 0.201 604 E C -0.375 176.234 176.600 0.016 0.000 1.339 604 E CA 0.463 56.887 56.400 0.039 0.000 0.699 604 E CB -1.383 28.344 29.700 0.045 0.000 1.126 604 E HN 0.603 nan 8.360 nan 0.000 0.355 605 I N -4.068 116.508 120.570 0.011 0.000 3.074 605 I HA 0.553 4.724 4.170 0.002 0.000 0.310 605 I C -2.013 174.108 176.117 0.007 0.000 1.153 605 I CA -2.227 59.074 61.300 0.002 0.000 0.993 605 I CB 2.178 40.171 38.000 -0.012 0.000 1.237 605 I HN -0.250 nan 8.210 nan 0.000 0.443 606 P HA 0.090 nan 4.420 nan 0.000 0.217 606 P C 0.074 177.378 177.300 0.007 0.000 1.153 606 P CA 0.746 63.850 63.100 0.008 0.000 0.843 606 P CB 0.196 31.901 31.700 0.009 0.000 0.794 607 E N 0.503 120.705 120.200 0.004 0.000 2.502 607 E HA 0.092 4.443 4.350 0.002 0.000 0.261 607 E C 0.345 176.947 176.600 0.004 0.000 0.974 607 E CA 0.500 56.902 56.400 0.004 0.000 0.936 607 E CB -0.008 29.693 29.700 0.002 0.000 0.926 607 E HN 0.054 nan 8.360 nan 0.000 0.459 608 S N 1.284 116.987 115.700 0.006 0.000 2.754 608 S HA 0.449 4.920 4.470 0.002 0.000 0.247 608 S C -0.573 174.031 174.600 0.007 0.000 1.031 608 S CA -0.181 58.023 58.200 0.006 0.000 1.014 608 S CB 0.901 64.105 63.200 0.007 0.000 0.918 608 S HN 0.554 nan 8.310 nan 0.000 0.519 609 A N 1.660 124.484 122.820 0.007 0.000 2.522 609 A HA 0.614 4.935 4.320 0.002 0.000 0.290 609 A C -0.611 176.978 177.584 0.009 0.000 1.047 609 A CA -0.627 51.415 52.037 0.009 0.000 0.935 609 A CB 0.485 19.491 19.000 0.010 0.000 1.451 609 A HN 0.279 nan 8.150 nan 0.000 0.398 610 L N 0.951 122.180 121.223 0.010 0.000 2.693 610 L HA 0.884 5.225 4.340 0.002 0.000 0.253 610 L C 0.901 177.780 176.870 0.016 0.000 1.155 610 L CA -0.732 54.115 54.840 0.011 0.000 1.026 610 L CB 1.286 43.351 42.059 0.010 0.000 1.817 610 L HN 0.840 nan 8.230 nan 0.000 0.556 611 S N -1.734 113.978 115.700 0.019 0.000 2.651 611 S HA 0.442 4.913 4.470 0.002 0.000 0.279 611 S C 0.250 174.867 174.600 0.028 0.000 1.148 611 S CA -0.822 57.392 58.200 0.022 0.000 0.837 611 S CB 1.311 64.523 63.200 0.020 0.000 1.138 611 S HN 0.508 nan 8.310 nan 0.000 0.478 612 L N 0.833 122.075 121.223 0.032 0.000 2.450 612 L HA -0.044 4.297 4.340 0.002 0.000 0.224 612 L C 2.316 179.209 176.870 0.038 0.000 1.149 612 L CA 1.178 56.042 54.840 0.039 0.000 0.816 612 L CB -0.561 41.521 42.059 0.038 0.000 0.932 612 L HN 0.786 nan 8.230 nan 0.000 0.449 613 E N -0.239 119.979 120.200 0.031 0.000 2.045 613 E HA -0.135 4.216 4.350 0.002 0.000 0.190 613 E C 1.571 178.188 176.600 0.028 0.000 0.968 613 E CA 0.766 57.184 56.400 0.029 0.000 0.813 613 E CB 0.006 29.720 29.700 0.023 0.000 0.780 613 E HN 0.435 nan 8.360 nan 0.000 0.455 614 D N 1.052 121.465 120.400 0.022 0.000 2.239 614 D HA -0.162 4.479 4.640 0.002 0.000 0.202 614 D C 2.056 178.366 176.300 0.017 0.000 0.993 614 D CA 0.949 54.958 54.000 0.015 0.000 0.874 614 D CB -0.153 40.653 40.800 0.010 0.000 0.922 614 D HN 0.051 nan 8.370 nan 0.000 0.464 615 V N 0.891 120.822 119.914 0.028 0.000 2.323 615 V HA -0.190 3.932 4.120 0.002 0.000 0.244 615 V C 2.626 178.754 176.094 0.058 0.000 1.041 615 V CA 1.409 63.733 62.300 0.040 0.000 1.025 615 V CB -0.443 31.416 31.823 0.059 0.000 0.656 615 V HN 0.107 nan 8.190 nan 0.000 0.451 616 R N 0.621 121.157 120.500 0.061 0.000 2.070 616 R HA -0.189 4.152 4.340 0.002 0.000 0.232 616 R C 2.386 178.721 176.300 0.057 0.000 1.138 616 R CA 1.869 58.012 56.100 0.072 0.000 0.936 616 R CB -0.257 30.078 30.300 0.059 0.000 0.839 616 R HN 0.429 nan 8.270 nan 0.000 0.429 617 K N 0.393 120.816 120.400 0.037 0.000 2.286 617 K HA -0.173 4.148 4.320 0.002 0.000 0.203 617 K C 1.882 178.490 176.600 0.013 0.000 1.045 617 K CA 1.903 58.204 56.287 0.025 0.000 0.935 617 K CB -0.157 32.353 32.500 0.017 0.000 0.737 617 K HN 0.464 nan 8.250 nan 0.000 0.460 618 M N -2.239 117.365 119.600 0.008 0.000 2.431 618 M HA 0.302 4.783 4.480 0.002 0.000 0.237 618 M C 0.458 176.743 176.300 -0.025 0.000 1.130 618 M CA 0.528 55.816 55.300 -0.019 0.000 1.002 618 M CB 0.773 33.349 32.600 -0.039 0.000 1.524 618 M HN 0.042 nan 8.290 nan 0.000 0.482 619 G N 1.230 110.042 108.800 0.020 0.000 2.291 619 G HA2 0.018 3.980 3.960 0.002 0.000 0.271 619 G HA3 0.018 3.980 3.960 0.002 0.000 0.271 619 G C -0.281 174.677 174.900 0.096 0.000 1.099 619 G CA 0.072 45.200 45.100 0.046 0.000 0.919 619 G HN 1.068 nan 8.290 nan 0.000 0.496 620 A N -0.058 122.873 122.820 0.186 0.000 2.422 620 A HA 0.870 5.191 4.320 0.002 0.000 0.302 620 A C -0.130 177.653 177.584 0.332 0.000 1.041 620 A CA -0.026 52.199 52.037 0.314 0.000 0.708 620 A CB 1.261 20.344 19.000 0.138 0.000 1.257 620 A HN 1.047 nan 8.150 nan 0.000 0.414 621 E N 2.118 122.561 120.200 0.405 0.000 2.221 621 E HA 0.710 5.061 4.350 0.002 0.000 0.268 621 E C -1.340 175.404 176.600 0.240 0.000 0.933 621 E CA -0.858 55.664 56.400 0.204 0.000 0.809 621 E CB 1.597 31.302 29.700 0.009 0.000 1.190 621 E HN 0.493 nan 8.360 nan 0.000 0.406 622 L N 2.466 123.787 121.223 0.164 0.000 2.257 622 L HA 0.488 4.829 4.340 0.002 0.000 0.290 622 L C 0.193 177.148 176.870 0.142 0.000 1.044 622 L CA -0.542 54.418 54.840 0.200 0.000 0.810 622 L CB 0.739 42.886 42.059 0.146 0.000 1.193 622 L HN 0.467 nan 8.230 nan 0.000 0.425 623 R N 3.374 124.003 120.500 0.216 0.000 2.873 623 R HA 0.588 4.929 4.340 0.002 0.000 0.264 623 R C -2.625 173.774 176.300 0.166 0.000 1.026 623 R CA -1.990 54.151 56.100 0.068 0.000 1.002 623 R CB 1.471 31.647 30.300 -0.207 0.000 1.174 623 R HN 0.270 nan 8.270 nan 0.000 0.488 624 P HA 0.113 nan 4.420 nan 0.000 0.284 624 P C -1.107 176.258 177.300 0.107 0.000 1.253 624 P CA -0.112 63.037 63.100 0.081 0.000 0.800 624 P CB 0.768 32.480 31.700 0.020 0.000 0.961 625 H N 1.380 120.421 119.070 -0.050 0.000 2.754 625 H HA 0.269 4.826 4.556 0.002 0.000 0.352 625 H C 0.414 175.696 175.328 -0.077 0.000 1.213 625 H CA -0.455 55.519 56.048 -0.124 0.000 1.244 625 H CB 1.684 31.127 29.762 -0.532 0.000 1.843 625 H HN 0.307 nan 8.280 nan 0.000 0.587 626 E N -0.231 119.489 120.200 -0.800 0.000 2.418 626 E HA -0.110 4.241 4.350 0.002 0.000 0.197 626 E C 0.726 177.258 176.600 -0.114 0.000 1.026 626 E CA 0.943 57.108 56.400 -0.391 0.000 0.862 626 E CB 0.171 29.622 29.700 -0.416 0.000 0.799 626 E HN 0.496 nan 8.360 nan 0.000 0.518 627 D N -1.065 119.392 120.400 0.095 0.000 2.339 627 D HA 0.056 4.697 4.640 0.002 0.000 0.217 627 D C 1.189 177.546 176.300 0.095 0.000 1.050 627 D CA 0.577 54.667 54.000 0.151 0.000 0.856 627 D CB 0.087 41.036 40.800 0.248 0.000 0.922 627 D HN 0.124 nan 8.370 nan 0.000 0.518 628 G N 0.170 109.008 108.800 0.063 0.000 2.143 628 G HA2 -0.235 3.726 3.960 0.002 0.000 0.249 628 G HA3 -0.235 3.726 3.960 0.002 0.000 0.249 628 G C 0.363 175.305 174.900 0.071 0.000 0.981 628 G CA 0.641 45.771 45.100 0.050 0.000 0.665 628 G HN 0.834 nan 8.290 nan 0.000 0.528 629 T N -1.954 112.658 114.554 0.096 0.000 2.926 629 T HA 0.768 5.119 4.350 0.002 0.000 0.289 629 T C 0.126 174.920 174.700 0.157 0.000 1.054 629 T CA -1.048 61.127 62.100 0.124 0.000 1.015 629 T CB 2.327 71.291 68.868 0.160 0.000 1.167 629 T HN 0.482 nan 8.240 nan 0.000 0.526 630 L N 1.547 122.888 121.223 0.198 0.000 2.326 630 L HA 0.423 4.765 4.340 0.002 0.000 0.278 630 L C 0.321 177.442 176.870 0.418 0.000 1.092 630 L CA -0.649 54.336 54.840 0.243 0.000 0.810 630 L CB 0.519 42.682 42.059 0.173 0.000 1.153 630 L HN 0.678 nan 8.230 nan 0.000 0.439 631 H N 3.431 122.647 119.070 0.243 0.000 2.538 631 H HA 0.309 4.866 4.556 0.002 0.000 0.353 631 H C -0.803 174.733 175.328 0.346 0.000 1.109 631 H CA -0.924 55.263 56.048 0.231 0.000 1.192 631 H CB 2.778 32.685 29.762 0.241 0.000 1.555 631 H HN 0.419 nan 8.280 nan 0.000 0.518 632 L N 4.561 125.927 121.223 0.238 0.000 2.295 632 L HA 0.196 4.537 4.340 0.002 0.000 0.288 632 L C -1.151 175.875 176.870 0.261 0.000 1.079 632 L CA -0.425 54.567 54.840 0.254 0.000 0.830 632 L CB -0.025 42.106 42.059 0.119 0.000 1.200 632 L HN 0.499 nan 8.230 nan 0.000 0.438 633 W N 5.917 127.379 121.300 0.269 0.000 2.448 633 W HA 0.644 5.305 4.660 0.002 0.000 0.339 633 W C -0.210 176.642 176.519 0.556 0.000 1.124 633 W CA -0.504 57.097 57.345 0.427 0.000 1.262 633 W CB 1.081 30.797 29.460 0.427 0.000 1.251 633 W HN 0.358 nan 8.180 nan 0.000 0.597 634 K N 2.094 122.927 120.400 0.722 0.000 2.598 634 K HA 0.351 4.672 4.320 0.002 0.000 0.271 634 K C -3.043 173.366 176.600 -0.318 0.000 0.947 634 K CA -1.538 54.793 56.287 0.073 0.000 0.854 634 K CB 1.964 34.386 32.500 -0.129 0.000 1.401 634 K HN 0.003 nan 8.250 nan 0.000 0.415 635 P HA 0.276 nan 4.420 nan 0.000 0.272 635 P C -1.536 175.624 177.300 -0.233 0.000 1.230 635 P CA -0.193 62.490 63.100 -0.695 0.000 0.788 635 P CB 1.112 32.310 31.700 -0.836 0.000 0.949 636 A N 0.934 123.719 122.820 -0.057 0.000 2.608 636 A HA 0.429 4.750 4.320 0.002 0.000 0.292 636 A C -1.060 176.565 177.584 0.068 0.000 1.066 636 A CA -0.628 51.445 52.037 0.060 0.000 0.676 636 A CB 0.504 19.668 19.000 0.274 0.000 1.277 636 A HN 0.244 nan 8.150 nan 0.000 0.413 637 V N 1.931 121.886 119.914 0.068 0.000 2.625 637 V HA -0.027 4.094 4.120 0.002 0.000 0.305 637 V C 1.114 177.259 176.094 0.086 0.000 1.055 637 V CA 0.909 63.250 62.300 0.068 0.000 1.209 637 V CB 0.071 31.933 31.823 0.066 0.000 0.877 637 V HN 0.870 nan 8.190 nan 0.000 0.489 638 M N 6.846 126.501 119.600 0.092 0.000 2.821 638 M HA 0.238 4.719 4.480 0.002 0.000 0.305 638 M C 0.275 176.693 176.300 0.198 0.000 1.466 638 M CA 0.209 55.580 55.300 0.118 0.000 1.526 638 M CB -0.366 32.286 32.600 0.086 0.000 1.321 638 M HN 0.913 nan 8.290 nan 0.000 0.492 639 S N 2.493 118.269 115.700 0.126 0.000 2.632 639 S HA 0.385 4.856 4.470 0.002 0.000 0.289 639 S C 0.492 175.073 174.600 -0.033 0.000 1.115 639 S CA -1.015 57.250 58.200 0.108 0.000 0.889 639 S CB 1.972 65.233 63.200 0.101 0.000 1.116 639 S HN 0.792 nan 8.310 nan 0.000 0.486 640 K N 1.121 121.468 120.400 -0.088 0.000 2.020 640 K HA -0.160 4.161 4.320 0.002 0.000 0.212 640 K C 2.187 178.758 176.600 -0.048 0.000 1.050 640 K CA 2.123 58.349 56.287 -0.102 0.000 0.929 640 K CB -0.832 31.640 32.500 -0.047 0.000 0.714 640 K HN 0.592 nan 8.250 nan 0.000 0.443 641 S N 0.530 116.218 115.700 -0.019 0.000 2.380 641 S HA -0.186 4.285 4.470 0.002 0.000 0.229 641 S C 1.789 176.354 174.600 -0.057 0.000 1.050 641 S CA 1.737 59.921 58.200 -0.027 0.000 1.100 641 S CB -0.295 62.897 63.200 -0.013 0.000 0.984 641 S HN 0.314 nan 8.310 nan 0.000 0.434 642 K N 0.796 121.162 120.400 -0.056 0.000 2.442 642 K HA 0.040 4.362 4.320 0.002 0.000 0.198 642 K C 1.280 177.810 176.600 -0.117 0.000 1.044 642 K CA 0.718 56.941 56.287 -0.105 0.000 0.948 642 K CB -1.361 31.107 32.500 -0.054 0.000 0.762 642 K HN 0.647 nan 8.250 nan 0.000 0.472 643 G N 3.283 112.035 108.800 -0.078 0.000 2.363 643 G HA2 -0.263 3.698 3.960 0.002 0.000 0.286 643 G HA3 -0.263 3.698 3.960 0.002 0.000 0.286 643 G C -0.003 174.872 174.900 -0.040 0.000 0.975 643 G CA 0.734 45.795 45.100 -0.065 0.000 1.309 643 G HN 0.510 nan 8.290 nan 0.000 0.491 644 N N -1.158 117.532 118.700 -0.016 0.000 1.958 644 N HA 0.226 4.967 4.740 0.002 0.000 0.223 644 N C 0.987 176.526 175.510 0.049 0.000 1.395 644 N CA 0.488 53.568 53.050 0.050 0.000 0.737 644 N CB -0.307 38.233 38.487 0.087 0.000 1.155 644 N HN 0.872 nan 8.380 nan 0.000 0.529 645 G N 0.123 108.909 108.800 -0.023 0.000 2.614 645 G HA2 0.387 4.348 3.960 0.002 0.000 0.239 645 G HA3 0.387 4.348 3.960 0.002 0.000 0.239 645 G C -0.475 174.400 174.900 -0.041 0.000 1.240 645 G CA -0.216 44.870 45.100 -0.023 0.000 0.842 645 G HN 0.091 nan 8.290 nan 0.000 0.584 646 V N 3.557 123.411 119.914 -0.100 0.000 2.220 646 V HA 0.118 4.239 4.120 0.002 0.000 0.265 646 V C 0.290 176.301 176.094 -0.139 0.000 1.078 646 V CA -0.730 61.456 62.300 -0.189 0.000 0.872 646 V CB 0.413 31.887 31.823 -0.582 0.000 1.121 646 V HN 0.658 nan 8.190 nan 0.000 0.460 647 M N 2.827 122.407 119.600 -0.033 0.000 2.243 647 M HA -0.041 4.440 4.480 0.002 0.000 0.365 647 M C 1.274 177.600 176.300 0.043 0.000 1.327 647 M CA 0.752 56.054 55.300 0.002 0.000 0.918 647 M CB 0.482 33.088 32.600 0.010 0.000 1.894 647 M HN 0.373 nan 8.290 nan 0.000 0.473 648 V N 4.343 124.277 119.914 0.034 0.000 2.223 648 V HA -0.221 3.900 4.120 0.002 0.000 0.244 648 V C 2.116 178.299 176.094 0.148 0.000 1.045 648 V CA 2.338 64.687 62.300 0.080 0.000 1.000 648 V CB -1.848 30.007 31.823 0.053 0.000 0.635 648 V HN 1.107 nan 8.190 nan 0.000 0.445 649 G N 0.945 109.800 108.800 0.090 0.000 2.672 649 G HA2 -0.270 3.691 3.960 0.002 0.000 0.218 649 G HA3 -0.270 3.691 3.960 0.002 0.000 0.218 649 G C -0.225 174.737 174.900 0.103 0.000 1.238 649 G CA 1.694 46.841 45.100 0.079 0.000 0.791 649 G HN 0.499 nan 8.290 nan 0.000 0.606 650 P HA -0.195 nan 4.420 nan 0.000 0.205 650 P C 1.721 179.110 177.300 0.148 0.000 1.164 650 P CA 1.325 64.489 63.100 0.108 0.000 0.938 650 P CB -0.331 31.434 31.700 0.108 0.000 0.777 651 F N 0.314 120.307 119.950 0.072 0.000 2.063 651 F HA -0.327 4.201 4.527 0.002 0.000 0.296 651 F C 1.961 177.837 175.800 0.126 0.000 1.093 651 F CA 1.850 59.918 58.000 0.114 0.000 1.229 651 F CB -1.135 37.926 39.000 0.102 0.000 0.971 651 F HN -0.275 nan 8.300 nan 0.000 0.491 652 V N 0.875 120.917 119.914 0.212 0.000 2.332 652 V HA -0.338 3.783 4.120 0.002 0.000 0.248 652 V C 2.457 178.523 176.094 -0.048 0.000 1.055 652 V CA 2.240 64.585 62.300 0.075 0.000 1.038 652 V CB -0.805 31.099 31.823 0.134 0.000 0.651 652 V HN 0.298 nan 8.190 nan 0.000 0.450 653 K N 0.385 120.805 120.400 0.033 0.000 2.026 653 K HA -0.196 4.125 4.320 0.002 0.000 0.208 653 K C 2.110 178.821 176.600 0.184 0.000 1.048 653 K CA 1.663 58.013 56.287 0.105 0.000 0.929 653 K CB -0.367 32.184 32.500 0.085 0.000 0.713 653 K HN 0.481 nan 8.250 nan 0.000 0.439 654 E N 0.429 120.660 120.200 0.052 0.000 2.274 654 E HA -0.098 4.253 4.350 0.002 0.000 0.194 654 E C 1.318 177.934 176.600 0.027 0.000 0.996 654 E CA 1.020 57.447 56.400 0.045 0.000 0.840 654 E CB 0.383 30.084 29.700 0.001 0.000 0.772 654 E HN 0.204 nan 8.360 nan 0.000 0.491 655 Q N -1.405 118.284 119.800 -0.185 0.000 2.898 655 Q HA 0.515 4.856 4.340 0.002 0.000 0.212 655 Q C 0.395 176.249 176.000 -0.243 0.000 1.077 655 Q CA 0.472 56.168 55.803 -0.178 0.000 0.387 655 Q CB 0.200 28.552 28.738 -0.644 0.000 4.985 655 Q HN 0.118 nan 8.270 nan 0.000 0.324 656 G N -1.041 107.600 108.800 -0.264 0.000 2.523 656 G HA2 0.499 4.460 3.960 0.002 0.000 0.291 656 G HA3 0.499 4.460 3.960 0.002 0.000 0.291 656 G C -0.343 174.597 174.900 0.067 0.000 1.450 656 G CA -0.015 44.964 45.100 -0.202 0.000 0.790 656 G HN 0.344 nan 8.290 nan 0.000 0.496 657 A N 0.010 122.876 122.820 0.077 0.000 1.832 657 A HA 0.162 4.483 4.320 0.002 0.000 0.214 657 A C 1.860 179.624 177.584 0.300 0.000 1.242 657 A CA 2.228 54.404 52.037 0.232 0.000 0.603 657 A CB -0.736 18.399 19.000 0.226 0.000 0.902 657 A HN 0.537 nan 8.150 nan 0.000 0.455 658 D N 0.302 120.898 120.400 0.328 0.000 2.254 658 D HA -0.192 4.449 4.640 0.002 0.000 0.201 658 D C 1.705 178.141 176.300 0.226 0.000 0.998 658 D CA 1.340 55.515 54.000 0.292 0.000 0.885 658 D CB -0.425 40.556 40.800 0.302 0.000 0.915 658 D HN 0.563 nan 8.370 nan 0.000 0.460 659 I N 0.589 121.289 120.570 0.217 0.000 2.252 659 I HA -0.217 3.954 4.170 0.002 0.000 0.245 659 I C 2.509 178.835 176.117 0.349 0.000 1.102 659 I CA 0.879 62.311 61.300 0.220 0.000 1.385 659 I CB -0.314 37.786 38.000 0.165 0.000 1.064 659 I HN -0.054 nan 8.210 nan 0.000 0.414 660 A N 1.331 124.449 122.820 0.497 0.000 1.865 660 A HA -0.235 4.086 4.320 0.002 0.000 0.217 660 A C 2.377 180.164 177.584 0.338 0.000 1.191 660 A CA 1.689 54.027 52.037 0.501 0.000 0.623 660 A CB -0.658 18.600 19.000 0.430 0.000 0.826 660 A HN 0.292 nan 8.150 nan 0.000 0.444 661 R N -0.559 120.099 120.500 0.262 0.000 2.147 661 R HA -0.157 4.185 4.340 0.002 0.000 0.225 661 R C 2.007 178.410 176.300 0.173 0.000 1.120 661 R CA 1.753 57.965 56.100 0.187 0.000 0.891 661 R CB -0.748 29.641 30.300 0.149 0.000 0.822 661 R HN 0.451 nan 8.270 nan 0.000 0.433 662 I N 1.204 121.877 120.570 0.171 0.000 2.182 662 I HA -0.359 3.812 4.170 0.002 0.000 0.248 662 I C 2.219 178.409 176.117 0.121 0.000 1.073 662 I CA 1.903 63.287 61.300 0.141 0.000 1.335 662 I CB -1.709 36.375 38.000 0.139 0.000 1.031 662 I HN 0.367 nan 8.210 nan 0.000 0.420 663 T N 1.264 115.867 114.554 0.082 0.000 2.674 663 T HA -0.123 4.228 4.350 0.002 0.000 0.265 663 T C 2.102 176.800 174.700 -0.003 0.000 1.039 663 T CA 1.426 63.487 62.100 -0.065 0.000 1.150 663 T CB -0.246 68.377 68.868 -0.408 0.000 0.864 663 T HN 0.260 nan 8.240 nan 0.000 0.427 664 I N 0.566 121.213 120.570 0.129 0.000 2.163 664 I HA -0.120 4.051 4.170 0.002 0.000 0.240 664 I C 2.327 178.530 176.117 0.143 0.000 1.081 664 I CA 1.228 62.646 61.300 0.196 0.000 1.353 664 I CB -0.391 37.762 38.000 0.254 0.000 1.054 664 I HN 0.186 nan 8.210 nan 0.000 0.407 665 L N -0.418 120.888 121.223 0.138 0.000 2.017 665 L HA -0.231 4.110 4.340 0.002 0.000 0.208 665 L C 2.462 179.433 176.870 0.168 0.000 1.073 665 L CA 1.482 56.408 54.840 0.144 0.000 0.745 665 L CB -0.612 41.538 42.059 0.153 0.000 0.894 665 L HN 0.178 nan 8.230 nan 0.000 0.432 666 F N 0.502 120.451 119.950 -0.002 0.000 2.748 666 F HA 0.062 4.590 4.527 0.002 0.000 0.299 666 F C 2.236 178.014 175.800 -0.037 0.000 1.154 666 F CA 0.290 58.259 58.000 -0.052 0.000 1.446 666 F CB -0.144 38.779 39.000 -0.127 0.000 1.112 666 F HN -0.020 nan 8.300 nan 0.000 0.584 667 A N 0.796 123.625 122.820 0.015 0.000 1.873 667 A HA 0.226 4.547 4.320 0.002 0.000 0.218 667 A C 1.371 178.873 177.584 -0.137 0.000 1.193 667 A CA 1.740 53.753 52.037 -0.041 0.000 0.629 667 A CB -0.955 18.058 19.000 0.021 0.000 0.826 667 A HN 0.543 nan 8.150 nan 0.000 0.447 668 A N -3.024 119.730 122.820 -0.111 0.000 2.483 668 A HA 0.611 4.932 4.320 0.002 0.000 0.306 668 A C -3.160 174.391 177.584 -0.056 0.000 1.137 668 A CA -0.986 50.985 52.037 -0.110 0.000 0.626 668 A CB -0.228 18.741 19.000 -0.051 0.000 1.352 668 A HN -0.004 nan 8.150 nan 0.000 0.508 669 P HA 0.226 nan 4.420 nan 0.000 0.271 669 P C -1.895 175.449 177.300 0.073 0.000 1.226 669 P CA -1.047 62.060 63.100 0.011 0.000 0.765 669 P CB 0.511 32.207 31.700 -0.007 0.000 0.835 670 P HA -0.272 nan 4.420 nan 0.000 0.218 670 P C 1.164 178.549 177.300 0.143 0.000 1.150 670 P CA 1.738 64.993 63.100 0.258 0.000 0.841 670 P CB -0.018 31.989 31.700 0.512 0.000 0.784 671 E N -0.257 119.977 120.200 0.056 0.000 2.150 671 E HA -0.114 4.237 4.350 0.002 0.000 0.193 671 E C 0.447 177.003 176.600 -0.074 0.000 0.985 671 E CA 0.506 56.828 56.400 -0.129 0.000 0.814 671 E CB -0.724 28.875 29.700 -0.169 0.000 0.752 671 E HN 0.242 nan 8.360 nan 0.000 0.466 672 N N 1.935 120.619 118.700 -0.026 0.000 2.381 672 N HA 0.054 4.795 4.740 0.002 0.000 0.254 672 N C -0.538 174.967 175.510 -0.007 0.000 1.264 672 N CA -0.206 52.831 53.050 -0.022 0.000 0.942 672 N CB 0.594 39.071 38.487 -0.017 0.000 1.190 672 N HN 0.264 nan 8.380 nan 0.000 0.495 673 E N 0.141 120.337 120.200 -0.006 0.000 2.174 673 E HA 0.325 4.676 4.350 0.002 0.000 0.282 673 E C -0.430 176.182 176.600 0.020 0.000 0.992 673 E CA -0.702 55.702 56.400 0.008 0.000 0.803 673 E CB 0.805 30.505 29.700 -0.001 0.000 1.090 673 E HN 0.537 nan 8.360 nan 0.000 0.396 674 M N 1.243 120.870 119.600 0.045 0.000 2.369 674 M HA 0.567 5.049 4.480 0.002 0.000 0.291 674 M C -0.950 175.400 176.300 0.084 0.000 1.178 674 M CA -1.076 54.260 55.300 0.061 0.000 0.996 674 M CB 1.494 34.146 32.600 0.086 0.000 1.472 674 M HN 0.302 nan 8.290 nan 0.000 0.496 675 V N 2.100 122.076 119.914 0.104 0.000 2.385 675 V HA 0.186 4.308 4.120 0.002 0.000 0.277 675 V C -0.939 175.288 176.094 0.223 0.000 1.012 675 V CA -0.497 61.886 62.300 0.138 0.000 0.832 675 V CB 0.978 32.855 31.823 0.089 0.000 1.028 675 V HN 0.887 nan 8.190 nan 0.000 0.436 676 W N 6.046 127.404 121.300 0.096 0.000 2.443 676 W HA 0.262 4.923 4.660 0.002 0.000 0.335 676 W C 0.099 176.730 176.519 0.186 0.000 1.382 676 W CA 0.932 58.344 57.345 0.111 0.000 1.305 676 W CB 0.753 30.253 29.460 0.066 0.000 1.283 676 W HN 0.664 nan 8.180 nan 0.000 0.567 677 T N 1.616 116.106 114.554 -0.107 0.000 2.896 677 T HA 0.167 4.518 4.350 0.002 0.000 0.297 677 T C 0.694 175.375 174.700 -0.032 0.000 1.108 677 T CA -0.699 61.459 62.100 0.097 0.000 1.004 677 T CB 2.216 71.189 68.868 0.175 0.000 1.159 677 T HN 0.589 nan 8.240 nan 0.000 0.499 678 E N 0.552 120.809 120.200 0.096 0.000 2.049 678 E HA -0.257 4.094 4.350 0.002 0.000 0.198 678 E C 1.501 178.124 176.600 0.039 0.000 1.007 678 E CA 2.006 58.462 56.400 0.094 0.000 0.809 678 E CB -0.124 29.619 29.700 0.070 0.000 0.749 678 E HN 0.785 nan 8.360 nan 0.000 0.450 679 E N -0.212 119.997 120.200 0.014 0.000 2.097 679 E HA -0.185 4.166 4.350 0.002 0.000 0.196 679 E C 1.900 178.509 176.600 0.014 0.000 1.000 679 E CA 1.350 57.758 56.400 0.014 0.000 0.804 679 E CB -0.602 29.105 29.700 0.011 0.000 0.740 679 E HN 0.469 nan 8.360 nan 0.000 0.454 680 G N 0.406 109.185 108.800 -0.036 0.000 2.421 680 G HA2 -0.245 3.716 3.960 0.002 0.000 0.216 680 G HA3 -0.245 3.716 3.960 0.002 0.000 0.216 680 G C 1.750 176.613 174.900 -0.062 0.000 1.171 680 G CA 1.026 46.085 45.100 -0.069 0.000 0.775 680 G HN 0.206 nan 8.290 nan 0.000 0.543 681 V N 0.630 120.483 119.914 -0.102 0.000 2.324 681 V HA -0.319 3.802 4.120 0.002 0.000 0.250 681 V C 2.854 179.092 176.094 0.240 0.000 1.060 681 V CA 2.376 64.724 62.300 0.081 0.000 1.042 681 V CB -0.826 31.152 31.823 0.258 0.000 0.650 681 V HN 0.424 nan 8.190 nan 0.000 0.450 682 Q N 0.178 120.089 119.800 0.185 0.000 2.002 682 Q HA -0.180 4.161 4.340 0.002 0.000 0.204 682 Q C 2.482 178.618 176.000 0.227 0.000 0.988 682 Q CA 1.959 57.884 55.803 0.203 0.000 0.843 682 Q CB -0.775 28.018 28.738 0.093 0.000 0.908 682 Q HN 0.710 nan 8.270 nan 0.000 0.420 683 G N 0.617 109.497 108.800 0.134 0.000 2.503 683 G HA2 -0.327 3.634 3.960 0.002 0.000 0.221 683 G HA3 -0.327 3.634 3.960 0.002 0.000 0.221 683 G C 1.465 176.448 174.900 0.139 0.000 1.131 683 G CA 1.136 46.299 45.100 0.105 0.000 0.756 683 G HN 0.457 nan 8.290 nan 0.000 0.572 684 A N -0.240 122.670 122.820 0.150 0.000 1.902 684 A HA -0.053 4.268 4.320 0.002 0.000 0.217 684 A C 2.168 179.882 177.584 0.216 0.000 1.181 684 A CA 1.525 53.661 52.037 0.165 0.000 0.623 684 A CB -0.696 18.392 19.000 0.147 0.000 0.818 684 A HN 0.520 nan 8.150 nan 0.000 0.443 685 W N -0.141 121.245 121.300 0.143 0.000 2.333 685 W HA -0.144 4.517 4.660 0.002 0.000 0.316 685 W C 2.735 179.328 176.519 0.123 0.000 1.215 685 W CA 2.094 59.537 57.345 0.162 0.000 1.278 685 W CB -0.171 29.372 29.460 0.138 0.000 1.154 685 W HN 0.243 nan 8.180 nan 0.000 0.486 686 R N -0.931 119.812 120.500 0.406 0.000 2.088 686 R HA -0.244 4.097 4.340 0.002 0.000 0.232 686 R C 2.250 178.658 176.300 0.179 0.000 1.136 686 R CA 2.156 58.413 56.100 0.260 0.000 0.926 686 R CB -1.317 29.093 30.300 0.183 0.000 0.837 686 R HN 0.147 nan 8.270 nan 0.000 0.429 687 F N 1.543 121.492 119.950 -0.002 0.000 2.063 687 F HA -0.269 4.259 4.527 0.002 0.000 0.298 687 F C 1.882 177.636 175.800 -0.075 0.000 1.109 687 F CA 1.716 59.667 58.000 -0.081 0.000 1.212 687 F CB -0.588 38.315 39.000 -0.161 0.000 0.973 687 F HN 0.005 nan 8.300 nan 0.000 0.480 688 L N -0.071 120.994 121.223 -0.264 0.000 2.083 688 L HA -0.258 4.083 4.340 0.002 0.000 0.209 688 L C 2.435 179.032 176.870 -0.456 0.000 1.083 688 L CA 1.271 55.810 54.840 -0.503 0.000 0.752 688 L CB -0.828 40.941 42.059 -0.483 0.000 0.899 688 L HN 0.209 nan 8.230 nan 0.000 0.433 689 N N 0.373 118.990 118.700 -0.138 0.000 2.062 689 N HA -0.137 4.604 4.740 0.002 0.000 0.191 689 N C 1.908 177.461 175.510 0.072 0.000 1.042 689 N CA 1.223 54.311 53.050 0.062 0.000 0.845 689 N CB -0.201 38.454 38.487 0.280 0.000 1.024 689 N HN 0.250 nan 8.380 nan 0.000 0.424 690 R N 0.753 121.266 120.500 0.022 0.000 2.154 690 R HA -0.086 4.255 4.340 0.002 0.000 0.248 690 R C 2.245 178.521 176.300 -0.039 0.000 1.155 690 R CA 0.978 57.083 56.100 0.008 0.000 0.979 690 R CB -0.388 29.813 30.300 -0.164 0.000 0.869 690 R HN 0.341 nan 8.270 nan 0.000 0.452 691 I N -0.934 119.513 120.570 -0.206 0.000 2.252 691 I HA -0.280 3.891 4.170 0.002 0.000 0.245 691 I C 2.182 178.270 176.117 -0.048 0.000 1.102 691 I CA 1.138 62.301 61.300 -0.228 0.000 1.385 691 I CB -0.391 37.387 38.000 -0.370 0.000 1.064 691 I HN 0.110 nan 8.210 nan 0.000 0.414 692 Y N 2.035 122.273 120.300 -0.104 0.000 2.089 692 Y HA -0.238 4.313 4.550 0.002 0.000 0.282 692 Y C 2.854 178.864 175.900 0.182 0.000 1.139 692 Y CA 1.609 59.733 58.100 0.040 0.000 1.123 692 Y CB -0.334 38.172 38.460 0.077 0.000 0.980 692 Y HN -0.087 nan 8.280 nan 0.000 0.493 693 R N -0.366 120.422 120.500 0.481 0.000 2.122 693 R HA -0.306 4.035 4.340 0.002 0.000 0.236 693 R C 2.344 178.811 176.300 0.279 0.000 1.129 693 R CA 2.070 58.405 56.100 0.393 0.000 0.925 693 R CB -0.553 29.947 30.300 0.334 0.000 0.850 693 R HN 0.167 nan 8.270 nan 0.000 0.431 694 R N 0.488 121.164 120.500 0.294 0.000 2.178 694 R HA -0.169 4.172 4.340 0.002 0.000 0.257 694 R C 1.848 178.268 176.300 0.200 0.000 1.163 694 R CA 1.839 58.085 56.100 0.243 0.000 0.981 694 R CB -0.563 29.974 30.300 0.395 0.000 0.878 694 R HN 0.174 nan 8.270 nan 0.000 0.454 695 V N -0.613 119.414 119.914 0.188 0.000 2.992 695 V HA 0.125 4.246 4.120 0.002 0.000 0.250 695 V C 2.075 178.430 176.094 0.435 0.000 1.090 695 V CA 1.158 63.617 62.300 0.265 0.000 1.101 695 V CB 0.018 31.940 31.823 0.165 0.000 0.743 695 V HN 0.481 nan 8.190 nan 0.000 0.468 696 A N 0.011 123.053 122.820 0.370 0.000 1.970 696 A HA -0.172 4.149 4.320 0.002 0.000 0.216 696 A C 2.161 179.857 177.584 0.185 0.000 1.170 696 A CA 1.563 53.804 52.037 0.340 0.000 0.645 696 A CB -0.321 18.931 19.000 0.420 0.000 0.816 696 A HN 0.569 nan 8.150 nan 0.000 0.447 697 E N -0.337 119.967 120.200 0.174 0.000 2.347 697 E HA -0.145 4.206 4.350 0.002 0.000 0.196 697 E C 0.204 176.844 176.600 0.066 0.000 1.008 697 E CA 1.165 57.619 56.400 0.090 0.000 0.852 697 E CB 0.090 29.820 29.700 0.050 0.000 0.783 697 E HN 0.519 nan 8.360 nan 0.000 0.505 698 D N -0.633 119.844 120.400 0.128 0.000 2.469 698 D HA 0.020 4.661 4.640 0.002 0.000 0.213 698 D C 1.316 177.735 176.300 0.197 0.000 1.135 698 D CA -0.164 53.906 54.000 0.115 0.000 0.834 698 D CB 0.059 40.936 40.800 0.128 0.000 1.009 698 D HN 0.115 nan 8.370 nan 0.000 0.507 699 R N 1.643 122.286 120.500 0.238 0.000 2.112 699 R HA -0.219 4.122 4.340 0.002 0.000 0.242 699 R C 1.866 178.249 176.300 0.137 0.000 1.137 699 R CA 1.714 57.972 56.100 0.263 0.000 0.944 699 R CB 0.079 30.319 30.300 -0.100 0.000 0.857 699 R HN 0.127 nan 8.270 nan 0.000 0.435 700 E N -0.568 119.642 120.200 0.017 0.000 2.015 700 E HA -0.192 4.159 4.350 0.002 0.000 0.191 700 E C 1.927 178.541 176.600 0.024 0.000 0.991 700 E CA 1.138 57.529 56.400 -0.016 0.000 0.802 700 E CB -0.201 29.473 29.700 -0.044 0.000 0.759 700 E HN 0.500 nan 8.360 nan 0.000 0.447 701 A N 1.083 123.916 122.820 0.022 0.000 1.927 701 A HA -0.220 4.102 4.320 0.002 0.000 0.220 701 A C 2.216 179.820 177.584 0.032 0.000 1.185 701 A CA 1.439 53.479 52.037 0.006 0.000 0.639 701 A CB -0.757 18.227 19.000 -0.027 0.000 0.820 701 A HN 0.333 nan 8.150 nan 0.000 0.451 702 L N -1.244 120.037 121.223 0.097 0.000 2.109 702 L HA -0.080 4.261 4.340 0.002 0.000 0.207 702 L C 2.460 179.398 176.870 0.112 0.000 1.086 702 L CA 0.752 55.647 54.840 0.091 0.000 0.760 702 L CB -0.312 41.780 42.059 0.055 0.000 0.910 702 L HN 0.369 nan 8.230 nan 0.000 0.437 703 L N 0.045 121.382 121.223 0.191 0.000 2.261 703 L HA -0.217 4.124 4.340 0.002 0.000 0.216 703 L C 2.036 178.917 176.870 0.018 0.000 1.114 703 L CA 1.328 56.228 54.840 0.101 0.000 0.777 703 L CB -0.254 41.808 42.059 0.004 0.000 0.910 703 L HN 0.435 nan 8.230 nan 0.000 0.440 704 E N -2.208 118.000 120.200 0.014 0.000 2.501 704 E HA 0.130 4.482 4.350 0.002 0.000 0.200 704 E C -0.112 176.489 176.600 0.003 0.000 1.016 704 E CA -0.151 56.248 56.400 -0.002 0.000 0.921 704 E CB 0.228 29.922 29.700 -0.010 0.000 1.034 704 E HN 0.153 nan 8.360 nan 0.000 0.468 705 T N 0.468 115.028 114.554 0.010 0.000 2.918 705 T HA 0.324 4.675 4.350 0.002 0.000 0.286 705 T C -0.550 174.167 174.700 0.029 0.000 1.026 705 T CA -0.668 61.442 62.100 0.016 0.000 1.031 705 T CB 1.926 70.804 68.868 0.018 0.000 1.046 705 T HN 0.005 nan 8.240 nan 0.000 0.479 706 S N 0.002 115.730 115.700 0.048 0.000 2.525 706 S HA 0.557 5.028 4.470 0.002 0.000 0.290 706 S C 1.126 175.798 174.600 0.120 0.000 1.152 706 S CA -0.616 57.631 58.200 0.078 0.000 1.072 706 S CB 0.659 63.905 63.200 0.077 0.000 1.027 706 S HN 0.912 nan 8.310 nan 0.000 0.500 707 G N 2.783 111.681 108.800 0.163 0.000 3.448 707 G HA2 0.337 4.298 3.960 0.002 0.000 0.261 707 G HA3 0.337 4.298 3.960 0.002 0.000 0.261 707 G C -0.227 174.867 174.900 0.322 0.000 1.173 707 G CA -0.132 45.106 45.100 0.229 0.000 0.835 707 G HN 0.580 nan 8.290 nan 0.000 0.534 708 V N 1.128 121.204 119.914 0.270 0.000 2.472 708 V HA 0.832 4.953 4.120 0.002 0.000 0.290 708 V C -0.297 176.008 176.094 0.351 0.000 1.037 708 V CA -0.628 61.797 62.300 0.208 0.000 0.908 708 V CB 0.546 32.430 31.823 0.101 0.000 0.985 708 V HN 0.377 nan 8.190 nan 0.000 0.454 709 F N 0.816 120.764 119.950 -0.004 0.000 2.799 709 F HA 0.493 5.021 4.527 0.002 0.000 0.316 709 F C -0.952 174.819 175.800 -0.048 0.000 1.155 709 F CA -1.251 56.734 58.000 -0.025 0.000 0.916 709 F CB 1.805 40.785 39.000 -0.034 0.000 1.294 709 F HN 0.476 nan 8.300 nan 0.000 0.447 710 Q N 1.944 121.762 119.800 0.028 0.000 2.279 710 Q HA 0.632 4.973 4.340 0.002 0.000 0.256 710 Q C 0.785 176.733 176.000 -0.086 0.000 0.937 710 Q CA 0.117 55.870 55.803 -0.084 0.000 0.933 710 Q CB 1.932 30.657 28.738 -0.021 0.000 1.189 710 Q HN 1.026 nan 8.270 nan 0.000 0.417 711 A N 4.421 127.101 122.820 -0.234 0.000 1.842 711 A HA -0.290 4.031 4.320 0.002 0.000 0.217 711 A C 1.539 179.012 177.584 -0.184 0.000 1.206 711 A CA 2.158 54.022 52.037 -0.289 0.000 0.630 711 A CB -0.618 18.234 19.000 -0.246 0.000 0.839 711 A HN 0.931 nan 8.150 nan 0.000 0.447 712 E N 0.202 120.339 120.200 -0.104 0.000 2.153 712 E HA 0.029 4.380 4.350 0.002 0.000 0.194 712 E C 1.770 178.351 176.600 -0.032 0.000 0.988 712 E CA 1.038 57.404 56.400 -0.056 0.000 0.811 712 E CB -0.457 29.223 29.700 -0.034 0.000 0.746 712 E HN 0.577 nan 8.360 nan 0.000 0.466 713 A N 0.751 123.558 122.820 -0.021 0.000 2.215 713 A HA 0.048 4.369 4.320 0.002 0.000 0.208 713 A C 0.283 177.872 177.584 0.008 0.000 1.296 713 A CA 0.303 52.341 52.037 0.002 0.000 0.918 713 A CB -0.730 18.278 19.000 0.014 0.000 0.806 713 A HN 0.109 nan 8.150 nan 0.000 0.490 714 L N 0.406 121.624 121.223 -0.009 0.000 2.343 714 L HA 0.541 4.882 4.340 0.002 0.000 0.275 714 L C 0.164 177.039 176.870 0.009 0.000 1.056 714 L CA -0.525 54.310 54.840 -0.008 0.000 0.804 714 L CB 1.436 43.463 42.059 -0.053 0.000 1.203 714 L HN 0.617 nan 8.230 nan 0.000 0.440 715 E N 1.621 121.834 120.200 0.023 0.000 2.388 715 E HA 0.645 4.997 4.350 0.002 0.000 0.280 715 E C -0.388 176.240 176.600 0.046 0.000 1.019 715 E CA -0.557 55.864 56.400 0.034 0.000 0.806 715 E CB 1.800 31.514 29.700 0.024 0.000 1.246 715 E HN 0.737 nan 8.360 nan 0.000 0.443 716 G N 2.064 110.896 108.800 0.054 0.000 2.568 716 G HA2 -0.280 3.681 3.960 0.002 0.000 0.222 716 G HA3 -0.280 3.681 3.960 0.002 0.000 0.222 716 G C 0.486 175.447 174.900 0.102 0.000 1.321 716 G CA -0.024 45.113 45.100 0.061 0.000 0.893 716 G HN 0.485 nan 8.290 nan 0.000 0.569 717 K N 0.449 120.924 120.400 0.125 0.000 2.113 717 K HA -0.113 4.208 4.320 0.002 0.000 0.208 717 K C 2.027 178.820 176.600 0.323 0.000 1.047 717 K CA 2.313 58.736 56.287 0.226 0.000 0.928 717 K CB -0.576 32.049 32.500 0.209 0.000 0.716 717 K HN 0.559 nan 8.250 nan 0.000 0.446 718 D N 0.495 121.069 120.400 0.290 0.000 2.095 718 D HA -0.173 4.468 4.640 0.002 0.000 0.192 718 D C 1.940 178.315 176.300 0.126 0.000 0.990 718 D CA 1.227 55.340 54.000 0.188 0.000 0.836 718 D CB -0.335 40.524 40.800 0.098 0.000 0.979 718 D HN 0.155 nan 8.370 nan 0.000 0.447 719 R N 0.670 121.235 120.500 0.108 0.000 2.153 719 R HA -0.254 4.087 4.340 0.002 0.000 0.252 719 R C 2.043 178.453 176.300 0.183 0.000 1.158 719 R CA 1.816 57.988 56.100 0.122 0.000 0.975 719 R CB -0.103 30.247 30.300 0.084 0.000 0.871 719 R HN 0.311 nan 8.270 nan 0.000 0.450 720 E N 0.019 120.315 120.200 0.161 0.000 2.008 720 E HA -0.197 4.154 4.350 0.002 0.000 0.191 720 E C 2.066 178.769 176.600 0.171 0.000 0.986 720 E CA 1.102 57.597 56.400 0.159 0.000 0.807 720 E CB -0.185 29.602 29.700 0.146 0.000 0.766 720 E HN 0.278 nan 8.360 nan 0.000 0.450 721 L N 0.597 121.899 121.223 0.131 0.000 2.051 721 L HA -0.255 4.086 4.340 0.002 0.000 0.214 721 L C 2.303 179.270 176.870 0.163 0.000 1.076 721 L CA 2.084 56.955 54.840 0.053 0.000 0.758 721 L CB -0.785 41.067 42.059 -0.345 0.000 0.890 721 L HN 0.334 nan 8.230 nan 0.000 0.433 722 Y N 0.196 120.528 120.300 0.053 0.000 2.224 722 Y HA -0.105 4.446 4.550 0.002 0.000 0.289 722 Y C 2.220 178.237 175.900 0.193 0.000 1.146 722 Y CA 1.825 60.003 58.100 0.130 0.000 1.182 722 Y CB -0.752 37.783 38.460 0.125 0.000 0.983 722 Y HN 0.227 nan 8.280 nan 0.000 0.524 723 G N -0.183 108.752 108.800 0.224 0.000 2.402 723 G HA2 -0.291 3.670 3.960 0.002 0.000 0.216 723 G HA3 -0.291 3.670 3.960 0.002 0.000 0.216 723 G C 1.618 176.568 174.900 0.084 0.000 1.162 723 G CA 0.958 46.133 45.100 0.125 0.000 0.777 723 G HN 0.304 nan 8.290 nan 0.000 0.539 724 K N 0.100 120.588 120.400 0.147 0.000 2.103 724 K HA -0.050 4.271 4.320 0.002 0.000 0.207 724 K C 2.233 178.863 176.600 0.050 0.000 1.048 724 K CA 0.911 57.315 56.287 0.194 0.000 0.930 724 K CB -0.597 32.111 32.500 0.347 0.000 0.716 724 K HN 0.275 nan 8.250 nan 0.000 0.444 725 L N 0.389 121.596 121.223 -0.026 0.000 1.932 725 L HA -0.175 4.166 4.340 0.002 0.000 0.217 725 L C 1.750 178.341 176.870 -0.466 0.000 1.077 725 L CA 2.153 56.656 54.840 -0.562 0.000 0.765 725 L CB -1.181 40.727 42.059 -0.252 0.000 0.888 725 L HN 0.354 nan 8.230 nan 0.000 0.433 726 H N -0.403 118.472 119.070 -0.324 0.000 2.426 726 H HA -0.176 4.381 4.556 0.002 0.000 0.298 726 H C 2.230 177.458 175.328 -0.167 0.000 1.107 726 H CA 1.876 57.782 56.048 -0.238 0.000 1.298 726 H CB -0.072 29.538 29.762 -0.253 0.000 1.377 726 H HN 0.546 nan 8.280 nan 0.000 0.519 727 E N -0.658 119.521 120.200 -0.035 0.000 2.110 727 E HA -0.151 4.201 4.350 0.002 0.000 0.193 727 E C 1.838 178.393 176.600 -0.074 0.000 0.988 727 E CA 1.483 57.870 56.400 -0.021 0.000 0.804 727 E CB 0.146 29.857 29.700 0.017 0.000 0.745 727 E HN 0.425 nan 8.360 nan 0.000 0.458 728 T N 1.088 115.538 114.554 -0.174 0.000 2.770 728 T HA -0.116 4.235 4.350 0.002 0.000 0.263 728 T C 1.745 176.313 174.700 -0.221 0.000 1.039 728 T CA 0.701 62.670 62.100 -0.219 0.000 1.142 728 T CB -0.228 68.383 68.868 -0.428 0.000 0.868 728 T HN 0.076 nan 8.240 nan 0.000 0.435 729 L N 1.868 122.908 121.223 -0.305 0.000 2.051 729 L HA -0.114 4.227 4.340 0.002 0.000 0.214 729 L C 2.251 179.064 176.870 -0.095 0.000 1.076 729 L CA 1.951 56.633 54.840 -0.262 0.000 0.758 729 L CB -0.624 41.195 42.059 -0.401 0.000 0.890 729 L HN 0.128 nan 8.230 nan 0.000 0.433 730 K N -0.528 119.829 120.400 -0.071 0.000 2.001 730 K HA -0.303 4.018 4.320 0.002 0.000 0.214 730 K C 2.308 178.900 176.600 -0.012 0.000 1.050 730 K CA 2.039 58.318 56.287 -0.013 0.000 0.934 730 K CB -0.216 32.280 32.500 -0.007 0.000 0.718 730 K HN 0.163 nan 8.250 nan 0.000 0.443 731 K N 0.688 121.068 120.400 -0.034 0.000 2.001 731 K HA -0.143 4.178 4.320 0.002 0.000 0.214 731 K C 1.879 178.456 176.600 -0.037 0.000 1.050 731 K CA 1.918 58.183 56.287 -0.037 0.000 0.934 731 K CB -0.659 31.818 32.500 -0.040 0.000 0.718 731 K HN 0.112 nan 8.250 nan 0.000 0.443 732 V N 0.568 120.464 119.914 -0.029 0.000 2.231 732 V HA -0.334 3.787 4.120 0.002 0.000 0.248 732 V C 2.201 178.300 176.094 0.008 0.000 1.054 732 V CA 2.591 64.898 62.300 0.011 0.000 1.015 732 V CB -1.127 30.732 31.823 0.061 0.000 0.638 732 V HN 0.480 nan 8.190 nan 0.000 0.444 733 T N -0.434 114.182 114.554 0.104 0.000 2.737 733 T HA -0.243 4.108 4.350 0.002 0.000 0.269 733 T C 1.782 176.445 174.700 -0.063 0.000 1.040 733 T CA 1.961 64.113 62.100 0.087 0.000 1.142 733 T CB -0.292 68.759 68.868 0.305 0.000 0.861 733 T HN 0.642 nan 8.240 nan 0.000 0.456 734 E N 0.789 120.963 120.200 -0.043 0.000 2.028 734 E HA -0.112 4.239 4.350 0.002 0.000 0.190 734 E C 2.183 178.699 176.600 -0.139 0.000 0.984 734 E CA 0.994 57.353 56.400 -0.068 0.000 0.800 734 E CB -0.096 29.577 29.700 -0.045 0.000 0.758 734 E HN 0.420 nan 8.360 nan 0.000 0.448 735 D N 0.978 121.290 120.400 -0.147 0.000 2.149 735 D HA -0.159 4.482 4.640 0.002 0.000 0.198 735 D C 2.110 178.206 176.300 -0.339 0.000 0.990 735 D CA 0.820 54.699 54.000 -0.201 0.000 0.839 735 D CB -0.099 40.617 40.800 -0.140 0.000 0.948 735 D HN 0.148 nan 8.370 nan 0.000 0.460 736 L N 0.898 121.888 121.223 -0.388 0.000 2.046 736 L HA -0.170 4.171 4.340 0.002 0.000 0.208 736 L C 2.375 178.918 176.870 -0.544 0.000 1.077 736 L CA 1.170 55.645 54.840 -0.607 0.000 0.747 736 L CB -0.226 41.139 42.059 -1.156 0.000 0.896 736 L HN 0.018 nan 8.230 nan 0.000 0.432 737 E N -0.207 119.781 120.200 -0.353 0.000 2.106 737 E HA -0.176 4.175 4.350 0.002 0.000 0.192 737 E C 2.000 178.465 176.600 -0.224 0.000 0.984 737 E CA 1.084 57.380 56.400 -0.173 0.000 0.806 737 E CB -0.094 29.571 29.700 -0.058 0.000 0.750 737 E HN 0.478 nan 8.360 nan 0.000 0.458 738 A N 0.414 123.079 122.820 -0.258 0.000 2.238 738 A HA 0.093 4.414 4.320 0.002 0.000 0.208 738 A C 0.776 178.136 177.584 -0.374 0.000 1.177 738 A CA 0.056 51.953 52.037 -0.234 0.000 0.804 738 A CB -0.043 18.857 19.000 -0.165 0.000 0.823 738 A HN 0.241 nan 8.150 nan 0.000 0.482 739 L N -1.620 119.207 121.223 -0.659 0.000 3.600 739 L HA -0.162 4.179 4.340 0.002 0.000 0.424 739 L C 0.407 176.671 176.870 -1.011 0.000 1.260 739 L CA 0.727 54.859 54.840 -1.180 0.000 0.883 739 L CB -1.747 39.552 42.059 -1.268 0.000 1.895 739 L HN 0.479 nan 8.230 nan 0.000 0.827 740 R N -0.709 119.351 120.500 -0.734 0.000 3.057 740 R HA 0.304 4.645 4.340 0.002 0.000 0.291 740 R C 0.915 177.050 176.300 -0.276 0.000 1.394 740 R CA -0.419 55.460 56.100 -0.368 0.000 1.630 740 R CB 0.039 30.216 30.300 -0.206 0.000 1.268 740 R HN 0.136 nan 8.270 nan 0.000 0.621 741 F N 0.951 120.864 119.950 -0.062 0.000 2.161 741 F HA -0.303 4.225 4.527 0.002 0.000 0.300 741 F C 2.348 178.157 175.800 0.016 0.000 1.089 741 F CA 1.202 59.228 58.000 0.043 0.000 1.282 741 F CB -0.428 38.619 39.000 0.077 0.000 1.010 741 F HN 0.368 nan 8.300 nan 0.000 0.485 742 N N 0.735 119.516 118.700 0.135 0.000 2.006 742 N HA -0.237 4.504 4.740 0.002 0.000 0.196 742 N C 1.772 177.256 175.510 -0.044 0.000 1.057 742 N CA 2.575 55.612 53.050 -0.021 0.000 0.853 742 N CB -1.811 36.582 38.487 -0.157 0.000 1.051 742 N HN 0.371 nan 8.380 nan 0.000 0.423 743 T N -2.389 112.120 114.554 -0.074 0.000 2.897 743 T HA 0.098 4.449 4.350 0.002 0.000 0.271 743 T C 2.022 176.696 174.700 -0.043 0.000 1.084 743 T CA 1.441 63.506 62.100 -0.059 0.000 1.123 743 T CB -0.617 68.211 68.868 -0.066 0.000 0.865 743 T HN 0.469 nan 8.240 nan 0.000 0.496 744 A N 1.315 124.111 122.820 -0.040 0.000 1.930 744 A HA 0.175 4.496 4.320 0.002 0.000 0.217 744 A C 2.378 179.850 177.584 -0.185 0.000 1.175 744 A CA 1.215 53.219 52.037 -0.054 0.000 0.627 744 A CB -0.624 18.419 19.000 0.072 0.000 0.815 744 A HN 0.611 nan 8.150 nan 0.000 0.443 745 I N -0.747 119.689 120.570 -0.224 0.000 2.400 745 I HA -0.134 4.037 4.170 0.002 0.000 0.248 745 I C 2.910 178.908 176.117 -0.199 0.000 1.109 745 I CA 0.765 61.840 61.300 -0.375 0.000 1.425 745 I CB -0.328 37.492 38.000 -0.300 0.000 1.094 745 I HN 0.334 nan 8.210 nan 0.000 0.425 746 A N 1.015 123.889 122.820 0.090 0.000 1.986 746 A HA -0.233 4.088 4.320 0.002 0.000 0.220 746 A C 2.466 180.050 177.584 -0.000 0.000 1.171 746 A CA 2.062 54.197 52.037 0.164 0.000 0.640 746 A CB -0.657 18.449 19.000 0.177 0.000 0.811 746 A HN 0.457 nan 8.150 nan 0.000 0.451 747 A N -0.791 122.010 122.820 -0.032 0.000 1.968 747 A HA 0.130 4.451 4.320 0.002 0.000 0.217 747 A C 2.098 179.687 177.584 0.009 0.000 1.169 747 A CA 1.136 53.165 52.037 -0.014 0.000 0.638 747 A CB -0.402 18.576 19.000 -0.036 0.000 0.812 747 A HN 0.457 nan 8.150 nan 0.000 0.446 748 L N -0.988 120.193 121.223 -0.069 0.000 2.156 748 L HA -0.139 4.202 4.340 0.002 0.000 0.208 748 L C 2.639 179.649 176.870 0.233 0.000 1.095 748 L CA 1.112 55.954 54.840 0.003 0.000 0.770 748 L CB -0.327 41.622 42.059 -0.183 0.000 0.914 748 L HN 0.473 nan 8.230 nan 0.000 0.439 749 M N -1.036 118.557 119.600 -0.012 0.000 2.236 749 M HA -0.185 4.296 4.480 0.002 0.000 0.266 749 M C 2.089 178.455 176.300 0.109 0.000 1.070 749 M CA 1.388 56.700 55.300 0.021 0.000 1.137 749 M CB -0.351 31.996 32.600 -0.423 0.000 1.378 749 M HN 0.162 nan 8.290 nan 0.000 0.426 750 E N 0.747 121.000 120.200 0.089 0.000 2.077 750 E HA -0.229 4.122 4.350 0.002 0.000 0.193 750 E C 1.844 178.557 176.600 0.189 0.000 0.989 750 E CA 1.394 57.862 56.400 0.113 0.000 0.800 750 E CB -0.106 29.655 29.700 0.102 0.000 0.746 750 E HN 0.403 nan 8.360 nan 0.000 0.452 751 F N 0.961 120.972 119.950 0.103 0.000 2.146 751 F HA -0.120 4.408 4.527 0.002 0.000 0.298 751 F C 1.988 177.859 175.800 0.119 0.000 1.096 751 F CA 1.125 59.200 58.000 0.124 0.000 1.275 751 F CB -0.488 38.617 39.000 0.174 0.000 1.008 751 F HN 0.158 nan 8.300 nan 0.000 0.480 752 L N 1.170 122.494 121.223 0.169 0.000 2.013 752 L HA -0.311 4.031 4.340 0.002 0.000 0.212 752 L C 2.085 178.847 176.870 -0.180 0.000 1.073 752 L CA 2.120 56.903 54.840 -0.096 0.000 0.753 752 L CB -1.223 40.861 42.059 0.041 0.000 0.890 752 L HN 0.102 nan 8.230 nan 0.000 0.432 753 N N 0.256 118.901 118.700 -0.092 0.000 2.084 753 N HA -0.153 4.588 4.740 0.002 0.000 0.190 753 N C 1.880 177.386 175.510 -0.006 0.000 1.030 753 N CA 1.677 54.689 53.050 -0.064 0.000 0.849 753 N CB -0.750 37.731 38.487 -0.009 0.000 1.012 753 N HN 0.539 nan 8.380 nan 0.000 0.423 754 A N 1.133 123.921 122.820 -0.053 0.000 1.986 754 A HA -0.112 4.209 4.320 0.002 0.000 0.220 754 A C 2.358 179.880 177.584 -0.104 0.000 1.171 754 A CA 1.105 53.103 52.037 -0.066 0.000 0.640 754 A CB -0.750 18.195 19.000 -0.092 0.000 0.811 754 A HN 0.247 nan 8.150 nan 0.000 0.451 755 L N -2.614 118.468 121.223 -0.234 0.000 2.109 755 L HA -0.116 4.225 4.340 0.002 0.000 0.207 755 L C 2.470 179.483 176.870 0.237 0.000 1.086 755 L CA 0.901 55.682 54.840 -0.097 0.000 0.760 755 L CB -0.430 41.458 42.059 -0.286 0.000 0.910 755 L HN 0.398 nan 8.230 nan 0.000 0.437 756 Y N 0.285 120.575 120.300 -0.018 0.000 2.242 756 Y HA -0.179 4.372 4.550 0.002 0.000 0.291 756 Y C 2.691 178.613 175.900 0.036 0.000 1.137 756 Y CA 0.863 58.977 58.100 0.023 0.000 1.181 756 Y CB -0.136 38.329 38.460 0.009 0.000 0.989 756 Y HN 0.146 nan 8.280 nan 0.000 0.527 757 E N -1.415 118.901 120.200 0.193 0.000 2.208 757 E HA -0.213 4.138 4.350 0.002 0.000 0.193 757 E C 1.790 178.456 176.600 0.110 0.000 0.988 757 E CA 0.727 57.198 56.400 0.119 0.000 0.828 757 E CB -0.390 29.373 29.700 0.105 0.000 0.763 757 E HN 0.610 nan 8.360 nan 0.000 0.478 758 Y N 0.907 121.223 120.300 0.028 0.000 2.457 758 Y HA -0.023 4.528 4.550 0.002 0.000 0.292 758 Y C 1.706 177.600 175.900 -0.009 0.000 1.125 758 Y CA 0.886 59.000 58.100 0.023 0.000 1.254 758 Y CB 0.313 38.806 38.460 0.055 0.000 1.012 758 Y HN -0.185 nan 8.280 nan 0.000 0.555 759 R N 0.535 121.017 120.500 -0.030 0.000 2.317 759 R HA 0.087 4.428 4.340 0.002 0.000 0.208 759 R C 0.992 177.167 176.300 -0.208 0.000 0.914 759 R CA 0.346 56.332 56.100 -0.190 0.000 1.060 759 R CB 0.011 30.235 30.300 -0.126 0.000 1.015 759 R HN 0.433 nan 8.270 nan 0.000 0.498 760 K N -0.077 120.227 120.400 -0.161 0.000 2.367 760 K HA 0.071 4.392 4.320 0.002 0.000 0.194 760 K C 0.003 176.515 176.600 -0.146 0.000 1.027 760 K CA 0.426 56.636 56.287 -0.129 0.000 1.075 760 K CB 0.717 33.175 32.500 -0.071 0.000 0.845 760 K HN 0.004 nan 8.250 nan 0.000 0.529 761 D N 0.288 120.563 120.400 -0.209 0.000 2.594 761 D HA 0.107 4.748 4.640 0.002 0.000 0.256 761 D C -0.578 175.542 176.300 -0.300 0.000 1.393 761 D CA 0.020 53.900 54.000 -0.201 0.000 0.797 761 D CB 0.889 41.603 40.800 -0.144 0.000 1.110 761 D HN -0.106 nan 8.370 nan 0.000 0.495 762 R N 0.847 121.089 120.500 -0.430 0.000 2.634 762 R HA 0.445 4.786 4.340 0.002 0.000 0.263 762 R C -2.898 173.129 176.300 -0.454 0.000 1.060 762 R CA -1.021 54.765 56.100 -0.523 0.000 0.898 762 R CB 1.928 31.619 30.300 -1.014 0.000 1.253 762 R HN -0.205 nan 8.270 nan 0.000 0.461 763 P HA 0.257 nan 4.420 nan 0.000 0.284 763 P C -0.809 176.326 177.300 -0.275 0.000 1.287 763 P CA -0.724 62.220 63.100 -0.261 0.000 0.824 763 P CB 0.653 32.252 31.700 -0.170 0.000 1.180 764 V N 1.090 120.820 119.914 -0.308 0.000 2.450 764 V HA 0.033 4.154 4.120 0.002 0.000 0.264 764 V C 0.848 176.878 176.094 -0.106 0.000 0.996 764 V CA 0.753 62.853 62.300 -0.333 0.000 1.138 764 V CB -1.745 29.945 31.823 -0.221 0.000 1.051 764 V HN 0.683 nan 8.190 nan 0.000 0.470 765 T N 3.411 117.965 114.554 -0.000 0.000 2.944 765 T HA 0.450 4.801 4.350 0.002 0.000 0.284 765 T C -1.723 172.983 174.700 0.011 0.000 1.010 765 T CA -2.150 59.962 62.100 0.021 0.000 1.025 765 T CB 1.941 70.839 68.868 0.051 0.000 1.079 765 T HN 0.252 nan 8.240 nan 0.000 0.516 766 P HA -0.114 nan 4.420 nan 0.000 0.215 766 P C 1.799 178.900 177.300 -0.332 0.000 1.157 766 P CA 0.483 63.518 63.100 -0.108 0.000 0.874 766 P CB -0.160 31.498 31.700 -0.070 0.000 0.790 767 V N -1.200 118.306 119.914 -0.681 0.000 2.287 767 V HA -0.293 3.828 4.120 0.002 0.000 0.248 767 V C 2.208 178.155 176.094 -0.245 0.000 1.053 767 V CA 1.877 63.687 62.300 -0.816 0.000 1.027 767 V CB -1.153 30.294 31.823 -0.626 0.000 0.646 767 V HN 0.048 nan 8.190 nan 0.000 0.447 768 Y N 1.148 121.309 120.300 -0.233 0.000 2.128 768 Y HA -0.272 4.279 4.550 0.002 0.000 0.284 768 Y C 2.749 178.598 175.900 -0.084 0.000 1.154 768 Y CA 2.519 60.530 58.100 -0.148 0.000 1.149 768 Y CB -0.309 38.153 38.460 0.002 0.000 0.976 768 Y HN 0.211 nan 8.280 nan 0.000 0.505 769 R N -0.468 120.115 120.500 0.137 0.000 2.094 769 R HA -0.198 4.144 4.340 0.002 0.000 0.239 769 R C 2.181 178.478 176.300 -0.007 0.000 1.137 769 R CA 2.284 58.422 56.100 0.064 0.000 0.943 769 R CB -0.834 29.516 30.300 0.083 0.000 0.850 769 R HN 0.320 nan 8.270 nan 0.000 0.433 770 T N 0.676 115.228 114.554 -0.003 0.000 2.665 770 T HA -0.214 4.137 4.350 0.002 0.000 0.268 770 T C 1.743 176.320 174.700 -0.206 0.000 1.035 770 T CA 1.671 63.721 62.100 -0.084 0.000 1.151 770 T CB -0.382 68.514 68.868 0.047 0.000 0.862 770 T HN 0.545 nan 8.240 nan 0.000 0.438 771 A N 1.475 124.195 122.820 -0.166 0.000 1.892 771 A HA -0.109 4.213 4.320 0.002 0.000 0.218 771 A C 2.228 179.803 177.584 -0.015 0.000 1.188 771 A CA 1.413 53.404 52.037 -0.076 0.000 0.631 771 A CB -0.696 18.221 19.000 -0.137 0.000 0.822 771 A HN 0.440 nan 8.150 nan 0.000 0.447 772 I N -0.442 120.021 120.570 -0.179 0.000 2.226 772 I HA -0.202 3.969 4.170 0.002 0.000 0.245 772 I C 2.545 178.722 176.117 0.100 0.000 1.100 772 I CA 1.797 63.046 61.300 -0.085 0.000 1.374 772 I CB -1.259 36.627 38.000 -0.190 0.000 1.057 772 I HN 0.485 nan 8.210 nan 0.000 0.413 773 R N 0.168 120.700 120.500 0.054 0.000 2.097 773 R HA -0.250 4.091 4.340 0.002 0.000 0.236 773 R C 2.534 178.942 176.300 0.181 0.000 1.135 773 R CA 1.905 57.976 56.100 -0.047 0.000 0.934 773 R CB -0.474 29.657 30.300 -0.281 0.000 0.846 773 R HN 0.144 nan 8.270 nan 0.000 0.431 774 Y N -0.226 120.025 120.300 -0.080 0.000 2.165 774 Y HA -0.272 4.279 4.550 0.002 0.000 0.286 774 Y C 2.187 177.992 175.900 -0.157 0.000 1.155 774 Y CA 1.189 59.177 58.100 -0.187 0.000 1.164 774 Y CB -1.072 37.246 38.460 -0.237 0.000 0.978 774 Y HN 0.243 nan 8.280 nan 0.000 0.513 775 Y N -0.088 120.244 120.300 0.053 0.000 2.145 775 Y HA -0.220 4.331 4.550 0.002 0.000 0.286 775 Y C 2.258 178.169 175.900 0.018 0.000 1.145 775 Y CA 1.483 59.607 58.100 0.039 0.000 1.148 775 Y CB -0.548 37.986 38.460 0.123 0.000 0.981 775 Y HN 0.003 nan 8.280 nan 0.000 0.507 776 L N -0.262 121.130 121.223 0.282 0.000 2.131 776 L HA -0.282 4.059 4.340 0.002 0.000 0.210 776 L C 2.403 179.254 176.870 -0.031 0.000 1.092 776 L CA 1.587 56.555 54.840 0.214 0.000 0.759 776 L CB -0.584 41.721 42.059 0.411 0.000 0.903 776 L HN 0.318 nan 8.230 nan 0.000 0.435 777 Q N -0.690 119.000 119.800 -0.182 0.000 2.123 777 Q HA -0.124 4.217 4.340 0.002 0.000 0.199 777 Q C 2.245 178.049 176.000 -0.326 0.000 0.966 777 Q CA 1.256 56.817 55.803 -0.403 0.000 0.845 777 Q CB 0.008 28.404 28.738 -0.569 0.000 0.907 777 Q HN 0.511 nan 8.270 nan 0.000 0.439 778 M N -0.296 119.079 119.600 -0.375 0.000 2.562 778 M HA -0.069 4.412 4.480 0.002 0.000 0.257 778 M C 1.572 177.922 176.300 0.084 0.000 1.099 778 M CA 0.538 55.699 55.300 -0.232 0.000 1.099 778 M CB 0.213 32.603 32.600 -0.350 0.000 1.427 778 M HN 0.203 nan 8.290 nan 0.000 0.489 779 L N -0.861 120.370 121.223 0.013 0.000 2.253 779 L HA 0.047 4.388 4.340 0.002 0.000 0.205 779 L C 1.912 178.909 176.870 0.211 0.000 1.078 779 L CA 1.074 56.001 54.840 0.146 0.000 0.805 779 L CB -0.544 41.551 42.059 0.059 0.000 0.963 779 L HN 0.109 nan 8.230 nan 0.000 0.459 780 F N 1.532 121.424 119.950 -0.098 0.000 2.204 780 F HA -0.223 4.305 4.527 0.002 0.000 0.301 780 F C -0.858 174.743 175.800 -0.333 0.000 1.058 780 F CA 1.855 59.699 58.000 -0.259 0.000 1.313 780 F CB -1.394 37.362 39.000 -0.408 0.000 1.051 780 F HN 0.205 nan 8.300 nan 0.000 0.505 781 P HA -0.040 nan 4.420 nan 0.000 0.221 781 P C 1.305 178.124 177.300 -0.800 0.000 1.155 781 P CA 1.463 64.094 63.100 -0.781 0.000 0.812 781 P CB -0.106 31.052 31.700 -0.904 0.000 0.801 782 F N -0.559 119.255 119.950 -0.226 0.000 2.317 782 F HA 0.291 4.819 4.527 0.002 0.000 0.290 782 F C 1.388 177.113 175.800 -0.126 0.000 1.075 782 F CA 0.174 58.074 58.000 -0.166 0.000 1.380 782 F CB -0.738 38.221 39.000 -0.068 0.000 1.093 782 F HN -0.266 nan 8.300 nan 0.000 0.524 783 A N 1.382 124.274 122.820 0.120 0.000 3.064 783 A HA 0.388 4.709 4.320 0.002 0.000 0.339 783 A C -1.809 175.771 177.584 -0.007 0.000 1.078 783 A CA -1.190 50.895 52.037 0.081 0.000 0.869 783 A CB -0.384 18.689 19.000 0.123 0.000 1.067 783 A HN -0.016 nan 8.150 nan 0.000 0.480 784 P HA -0.202 nan 4.420 nan 0.000 0.218 784 P C 0.847 178.224 177.300 0.129 0.000 1.149 784 P CA 1.511 64.357 63.100 -0.424 0.000 0.817 784 P CB 0.126 31.171 31.700 -1.093 0.000 0.785 785 H N -0.078 119.205 119.070 0.354 0.000 2.265 785 H HA -0.044 4.513 4.556 0.002 0.000 0.305 785 H C 2.093 177.559 175.328 0.229 0.000 1.054 785 H CA 0.839 57.109 56.048 0.370 0.000 1.296 785 H CB -1.062 28.928 29.762 0.380 0.000 1.395 785 H HN -0.029 nan 8.280 nan 0.000 0.502 786 L N 1.226 122.679 121.223 0.385 0.000 2.189 786 L HA -0.176 4.165 4.340 0.002 0.000 0.214 786 L C 2.160 179.108 176.870 0.130 0.000 1.097 786 L CA 1.762 56.754 54.840 0.253 0.000 0.764 786 L CB -0.886 41.230 42.059 0.095 0.000 0.900 786 L HN 0.332 nan 8.230 nan 0.000 0.436 787 A N -0.855 122.050 122.820 0.141 0.000 1.897 787 A HA -0.169 4.152 4.320 0.002 0.000 0.215 787 A C 2.258 179.891 177.584 0.082 0.000 1.181 787 A CA 1.327 53.442 52.037 0.129 0.000 0.620 787 A CB -0.591 18.524 19.000 0.193 0.000 0.821 787 A HN 0.503 nan 8.150 nan 0.000 0.443 788 E N -0.100 120.088 120.200 -0.020 0.000 2.150 788 E HA -0.157 4.194 4.350 0.002 0.000 0.193 788 E C 1.843 178.283 176.600 -0.266 0.000 0.985 788 E CA 1.381 57.571 56.400 -0.350 0.000 0.814 788 E CB -0.081 29.101 29.700 -0.863 0.000 0.752 788 E HN 0.582 nan 8.360 nan 0.000 0.466 789 E N 0.344 120.541 120.200 -0.005 0.000 1.999 789 E HA -0.126 4.225 4.350 0.002 0.000 0.194 789 E C 1.956 178.470 176.600 -0.144 0.000 0.995 789 E CA 1.640 58.212 56.400 0.287 0.000 0.825 789 E CB -0.543 29.364 29.700 0.345 0.000 0.777 789 E HN 0.327 nan 8.360 nan 0.000 0.459 790 L N 0.185 121.151 121.223 -0.429 0.000 2.129 790 L HA -0.204 4.137 4.340 0.002 0.000 0.212 790 L C 2.587 179.462 176.870 0.008 0.000 1.087 790 L CA 1.488 55.889 54.840 -0.732 0.000 0.757 790 L CB -0.804 41.004 42.059 -0.419 0.000 0.896 790 L HN 0.429 nan 8.230 nan 0.000 0.434 791 W N 1.243 122.608 121.300 0.108 0.000 2.358 791 W HA -0.213 4.448 4.660 0.002 0.000 0.303 791 W C 2.336 179.170 176.519 0.525 0.000 1.208 791 W CA 1.769 59.363 57.345 0.416 0.000 1.274 791 W CB -0.338 29.247 29.460 0.208 0.000 1.138 791 W HN 0.266 nan 8.180 nan 0.000 0.515 792 H N -1.263 118.018 119.070 0.353 0.000 2.491 792 H HA -0.126 4.431 4.556 0.002 0.000 0.290 792 H C 1.731 177.153 175.328 0.157 0.000 1.050 792 H CA 2.029 58.255 56.048 0.296 0.000 1.309 792 H CB -0.910 29.115 29.762 0.438 0.000 1.392 792 H HN 0.101 nan 8.280 nan 0.000 0.554 793 W N -0.328 120.922 121.300 -0.084 0.000 2.387 793 W HA -0.110 4.551 4.660 0.002 0.000 0.272 793 W C 0.905 176.800 176.519 -1.040 0.000 1.224 793 W CA 0.913 57.898 57.345 -0.599 0.000 1.210 793 W CB -0.772 28.124 29.460 -0.939 0.000 1.125 793 W HN 0.254 nan 8.180 nan 0.000 0.572 794 F N -4.485 115.310 119.950 -0.258 0.000 2.640 794 F HA 0.201 4.729 4.527 0.002 0.000 0.285 794 F C 0.941 176.115 175.800 -1.044 0.000 1.031 794 F CA -0.533 56.953 58.000 -0.858 0.000 1.240 794 F CB -0.492 37.491 39.000 -1.695 0.000 1.011 794 F HN -0.387 nan 8.300 nan 0.000 0.656 795 W N 2.977 124.106 121.300 -0.284 0.000 2.627 795 W HA 0.314 4.975 4.660 0.002 0.000 0.339 795 W C -1.854 174.495 176.519 -0.285 0.000 1.058 795 W CA -1.673 55.443 57.345 -0.382 0.000 1.223 795 W CB 0.737 29.698 29.460 -0.832 0.000 1.389 795 W HN -0.265 nan 8.180 nan 0.000 0.541 796 P HA -0.144 nan 4.420 nan 0.000 0.199 796 P C 0.262 177.583 177.300 0.035 0.000 1.146 796 P CA 1.252 64.381 63.100 0.048 0.000 0.905 796 P CB 0.142 31.916 31.700 0.124 0.000 0.737 797 D N 0.149 120.682 120.400 0.221 0.000 2.362 797 D HA 0.009 4.650 4.640 0.002 0.000 0.238 797 D C 0.694 177.233 176.300 0.398 0.000 1.212 797 D CA 0.310 54.511 54.000 0.335 0.000 0.902 797 D CB 0.293 41.276 40.800 0.306 0.000 1.180 797 D HN 0.062 nan 8.370 nan 0.000 0.445 798 S N 0.362 116.377 115.700 0.525 0.000 2.563 798 S HA -0.039 4.432 4.470 0.002 0.000 0.284 798 S C 1.646 176.128 174.600 -0.196 0.000 1.331 798 S CA -0.568 57.881 58.200 0.416 0.000 1.047 798 S CB 0.339 63.839 63.200 0.500 0.000 0.859 798 S HN 0.396 nan 8.310 nan 0.000 0.514 799 L N 3.817 124.608 121.223 -0.721 0.000 2.263 799 L HA -0.119 4.223 4.340 0.002 0.000 0.216 799 L C 1.763 177.937 176.870 -1.161 0.000 1.111 799 L CA 1.287 55.265 54.840 -1.436 0.000 0.773 799 L CB -0.414 40.393 42.059 -2.087 0.000 0.906 799 L HN 0.785 nan 8.230 nan 0.000 0.439 800 F N 0.208 119.605 119.950 -0.921 0.000 2.171 800 F HA -0.219 4.310 4.527 0.002 0.000 0.300 800 F C 2.266 177.801 175.800 -0.441 0.000 1.090 800 F CA 1.216 58.805 58.000 -0.685 0.000 1.293 800 F CB 0.050 38.414 39.000 -1.060 0.000 1.013 800 F HN 0.155 nan 8.300 nan 0.000 0.486 801 E N -0.265 119.835 120.200 -0.167 0.000 2.479 801 E HA 0.093 4.444 4.350 0.002 0.000 0.193 801 E C 1.911 178.455 176.600 -0.093 0.000 1.049 801 E CA 0.405 56.771 56.400 -0.056 0.000 0.870 801 E CB 0.068 29.800 29.700 0.055 0.000 0.944 801 E HN 0.358 nan 8.360 nan 0.000 0.492 802 A N 1.825 124.498 122.820 -0.246 0.000 1.968 802 A HA 0.194 4.515 4.320 0.002 0.000 0.217 802 A C 1.364 178.834 177.584 -0.190 0.000 1.169 802 A CA 1.083 52.958 52.037 -0.270 0.000 0.638 802 A CB -0.502 18.089 19.000 -0.683 0.000 0.812 802 A HN 0.331 nan 8.150 nan 0.000 0.446 803 G N -2.945 105.754 108.800 -0.167 0.000 2.758 803 G HA2 -0.177 3.784 3.960 0.002 0.000 0.686 803 G HA3 -0.177 3.784 3.960 0.002 0.000 0.686 803 G C -0.342 174.519 174.900 -0.066 0.000 1.389 803 G CA -0.189 44.859 45.100 -0.086 0.000 0.845 803 G HN 0.890 nan 8.290 nan 0.000 0.572 804 W N 1.886 123.056 121.300 -0.218 0.000 2.351 804 W HA 0.521 5.183 4.660 0.002 0.000 0.311 804 W C -1.773 174.598 176.519 -0.246 0.000 1.168 804 W CA -1.644 55.574 57.345 -0.212 0.000 1.200 804 W CB 1.091 30.456 29.460 -0.157 0.000 1.221 804 W HN 0.533 nan 8.180 nan 0.000 0.519 805 P HA -0.139 nan 4.420 nan 0.000 0.264 805 P C -0.842 176.167 177.300 -0.485 0.000 1.173 805 P CA 0.957 63.501 63.100 -0.928 0.000 0.761 805 P CB 0.466 31.228 31.700 -1.564 0.000 0.794 806 E N 1.785 121.809 120.200 -0.293 0.000 2.200 806 E HA 0.234 4.585 4.350 0.002 0.000 0.283 806 E C -0.525 176.078 176.600 0.006 0.000 1.015 806 E CA -0.869 55.490 56.400 -0.067 0.000 0.819 806 E CB 0.475 30.182 29.700 0.012 0.000 1.081 806 E HN 0.252 nan 8.360 nan 0.000 0.397 807 L N 4.070 125.320 121.223 0.044 0.000 2.426 807 L HA 0.147 4.488 4.340 0.002 0.000 0.271 807 L C -0.446 176.540 176.870 0.193 0.000 1.169 807 L CA 0.504 55.429 54.840 0.143 0.000 0.836 807 L CB 1.044 43.159 42.059 0.092 0.000 1.112 807 L HN 0.460 nan 8.230 nan 0.000 0.465 808 D N 2.639 123.205 120.400 0.277 0.000 2.460 808 D HA 0.157 4.798 4.640 0.002 0.000 0.268 808 D C 0.773 177.060 176.300 -0.021 0.000 1.153 808 D CA -0.214 53.790 54.000 0.006 0.000 0.929 808 D CB 0.597 41.219 40.800 -0.296 0.000 1.015 808 D HN 0.570 nan 8.370 nan 0.000 0.502 809 E N 2.158 122.373 120.200 0.025 0.000 2.113 809 E HA -0.299 4.053 4.350 0.002 0.000 0.210 809 E C 1.304 177.911 176.600 0.011 0.000 1.040 809 E CA 1.371 57.784 56.400 0.022 0.000 0.847 809 E CB -0.025 29.689 29.700 0.023 0.000 0.755 809 E HN 0.559 nan 8.360 nan 0.000 0.459 810 K N 0.418 120.823 120.400 0.008 0.000 2.286 810 K HA -0.102 4.219 4.320 0.002 0.000 0.203 810 K C 1.958 178.575 176.600 0.028 0.000 1.045 810 K CA 1.086 57.383 56.287 0.016 0.000 0.935 810 K CB -0.133 32.376 32.500 0.015 0.000 0.737 810 K HN 0.124 nan 8.250 nan 0.000 0.460 811 A N 0.666 123.488 122.820 0.004 0.000 2.119 811 A HA 0.025 4.346 4.320 0.002 0.000 0.216 811 A C 1.869 179.478 177.584 0.041 0.000 1.152 811 A CA 0.646 52.704 52.037 0.035 0.000 0.708 811 A CB -0.255 18.639 19.000 -0.176 0.000 0.805 811 A HN 0.150 nan 8.150 nan 0.000 0.460 812 L N -0.343 120.898 121.223 0.030 0.000 2.270 812 L HA 0.005 4.346 4.340 0.002 0.000 0.210 812 L C 0.501 177.398 176.870 0.045 0.000 1.104 812 L CA 0.072 54.937 54.840 0.041 0.000 0.804 812 L CB -0.425 41.655 42.059 0.034 0.000 0.937 812 L HN 0.347 nan 8.230 nan 0.000 0.450 813 E N 2.327 122.553 120.200 0.043 0.000 2.652 813 E HA -0.053 4.298 4.350 0.002 0.000 0.255 813 E C -0.338 176.294 176.600 0.053 0.000 0.952 813 E CA 0.617 57.043 56.400 0.043 0.000 0.947 813 E CB 0.288 30.011 29.700 0.039 0.000 0.912 813 E HN 0.231 nan 8.360 nan 0.000 0.489 814 K N 3.557 123.987 120.400 0.049 0.000 2.183 814 K HA 0.153 4.474 4.320 0.002 0.000 0.274 814 K C -0.595 176.038 176.600 0.055 0.000 1.009 814 K CA -0.691 55.629 56.287 0.056 0.000 0.888 814 K CB 0.840 33.371 32.500 0.052 0.000 1.078 814 K HN 0.438 nan 8.250 nan 0.000 0.459 815 D N 1.303 121.740 120.400 0.061 0.000 2.471 815 D HA 0.192 4.833 4.640 0.002 0.000 0.245 815 D C -0.220 176.120 176.300 0.066 0.000 1.116 815 D CA -0.897 53.139 54.000 0.059 0.000 0.853 815 D CB 1.212 42.045 40.800 0.054 0.000 1.123 815 D HN 0.238 nan 8.370 nan 0.000 0.540 816 V N 0.847 120.803 119.914 0.070 0.000 5.738 816 V HA -0.188 3.933 4.120 0.002 0.000 0.352 816 V C 0.141 176.295 176.094 0.100 0.000 0.534 816 V CA -0.093 62.259 62.300 0.085 0.000 1.243 816 V CB -1.850 30.023 31.823 0.083 0.000 1.437 816 V HN 0.583 nan 8.190 nan 0.000 0.537 817 V N 1.213 121.178 119.914 0.084 0.000 2.863 817 V HA 0.488 4.609 4.120 0.002 0.000 0.307 817 V C 0.640 176.774 176.094 0.067 0.000 1.061 817 V CA -0.279 62.066 62.300 0.074 0.000 1.024 817 V CB 2.003 33.850 31.823 0.041 0.000 1.049 817 V HN 0.820 nan 8.190 nan 0.000 0.471 818 E N 1.488 121.714 120.200 0.044 0.000 2.229 818 E HA 0.459 4.810 4.350 0.002 0.000 0.283 818 E C -1.316 175.220 176.600 -0.106 0.000 1.030 818 E CA -0.330 56.011 56.400 -0.097 0.000 0.836 818 E CB 1.419 31.055 29.700 -0.107 0.000 1.068 818 E HN 0.475 nan 8.360 nan 0.000 0.401 819 V N 3.194 123.026 119.914 -0.136 0.000 2.667 819 V HA 0.582 4.703 4.120 0.002 0.000 0.308 819 V C -0.074 175.962 176.094 -0.097 0.000 1.048 819 V CA -0.704 61.542 62.300 -0.090 0.000 0.928 819 V CB 1.591 33.389 31.823 -0.042 0.000 1.004 819 V HN 0.856 nan 8.190 nan 0.000 0.444 820 A N 3.879 126.656 122.820 -0.072 0.000 2.290 820 A HA 0.719 5.040 4.320 0.002 0.000 0.310 820 A C -0.542 177.021 177.584 -0.033 0.000 1.202 820 A CA -0.413 51.591 52.037 -0.055 0.000 0.837 820 A CB 0.825 19.799 19.000 -0.044 0.000 1.139 820 A HN 0.704 nan 8.150 nan 0.000 0.509 821 V N 4.281 124.181 119.914 -0.023 0.000 2.333 821 V HA 0.397 4.518 4.120 0.002 0.000 0.274 821 V C 0.142 176.235 176.094 -0.002 0.000 1.028 821 V CA -0.360 61.938 62.300 -0.003 0.000 0.851 821 V CB 0.490 32.311 31.823 -0.003 0.000 1.000 821 V HN 1.003 nan 8.190 nan 0.000 0.456 822 Q N 3.829 123.631 119.800 0.005 0.000 2.377 822 Q HA 0.859 5.200 4.340 0.002 0.000 0.271 822 Q C -1.699 174.310 176.000 0.014 0.000 1.077 822 Q CA -0.900 54.906 55.803 0.006 0.000 0.820 822 Q CB 2.721 31.459 28.738 -0.000 0.000 1.347 822 Q HN 0.381 nan 8.270 nan 0.000 0.444 823 V N 2.769 122.691 119.914 0.014 0.000 2.487 823 V HA 0.264 4.385 4.120 0.002 0.000 0.298 823 V C -0.213 175.891 176.094 0.016 0.000 1.028 823 V CA -0.924 61.388 62.300 0.019 0.000 0.860 823 V CB 1.403 33.240 31.823 0.024 0.000 0.991 823 V HN 1.000 nan 8.190 nan 0.000 0.427 824 N N 4.079 122.789 118.700 0.016 0.000 2.686 824 N HA -0.226 4.515 4.740 0.002 0.000 0.261 824 N C 1.283 176.799 175.510 0.010 0.000 1.001 824 N CA 1.291 54.349 53.050 0.013 0.000 0.764 824 N CB -0.605 37.890 38.487 0.014 0.000 0.898 824 N HN 1.501 nan 8.380 nan 0.000 0.544 825 G N -0.657 108.148 108.800 0.008 0.000 2.196 825 G HA2 -0.374 3.588 3.960 0.002 0.000 0.268 825 G HA3 -0.374 3.588 3.960 0.002 0.000 0.268 825 G C 0.255 175.158 174.900 0.004 0.000 0.975 825 G CA 0.978 46.081 45.100 0.005 0.000 0.648 825 G HN 0.607 nan 8.290 nan 0.000 0.538 826 R N -0.506 119.998 120.500 0.006 0.000 2.532 826 R HA 0.529 4.870 4.340 0.002 0.000 0.295 826 R C -0.119 176.183 176.300 0.004 0.000 0.968 826 R CA -0.821 55.282 56.100 0.005 0.000 0.916 826 R CB 2.126 32.431 30.300 0.008 0.000 1.124 826 R HN 0.037 nan 8.270 nan 0.000 0.463 827 V N 5.339 125.254 119.914 0.001 0.000 2.352 827 V HA 0.041 4.162 4.120 0.002 0.000 0.253 827 V C 1.244 177.338 176.094 0.000 0.000 1.083 827 V CA 0.027 62.326 62.300 -0.002 0.000 0.993 827 V CB 0.488 32.309 31.823 -0.005 0.000 1.111 827 V HN 0.622 nan 8.190 nan 0.000 0.490 828 R N 3.148 123.649 120.500 0.001 0.000 2.115 828 R HA 0.223 4.564 4.340 0.002 0.000 0.226 828 R C 0.959 177.259 176.300 -0.002 0.000 1.100 828 R CA 0.837 56.939 56.100 0.003 0.000 0.980 828 R CB -0.052 30.251 30.300 0.006 0.000 0.875 828 R HN 0.789 nan 8.270 nan 0.000 0.445 829 G N -1.016 107.779 108.800 -0.008 0.000 2.320 829 G HA2 0.248 4.209 3.960 0.002 0.000 0.296 829 G HA3 0.248 4.209 3.960 0.002 0.000 0.296 829 G C -1.514 173.368 174.900 -0.031 0.000 1.306 829 G CA -0.168 44.924 45.100 -0.014 0.000 0.836 829 G HN 0.071 nan 8.290 nan 0.000 0.517 830 T N -1.243 113.283 114.554 -0.046 0.000 2.937 830 T HA 0.674 5.025 4.350 0.002 0.000 0.297 830 T C 0.057 174.654 174.700 -0.171 0.000 0.991 830 T CA -0.454 61.582 62.100 -0.106 0.000 0.990 830 T CB 0.882 69.675 68.868 -0.124 0.000 0.991 830 T HN 1.312 nan 8.240 nan 0.000 0.440 831 I N 0.178 120.640 120.570 -0.181 0.000 3.062 831 I HA 0.644 4.815 4.170 0.002 0.000 0.316 831 I C -0.501 175.413 176.117 -0.339 0.000 1.041 831 I CA -1.327 59.883 61.300 -0.151 0.000 1.069 831 I CB 1.511 39.495 38.000 -0.026 0.000 1.300 831 I HN 0.631 nan 8.210 nan 0.000 0.518 832 H N 3.346 122.435 119.070 0.032 0.000 2.887 832 H HA 0.547 5.104 4.556 0.002 0.000 0.300 832 H C -1.044 174.308 175.328 0.041 0.000 1.038 832 H CA -0.389 55.680 56.048 0.035 0.000 1.352 832 H CB 1.434 31.214 29.762 0.031 0.000 1.473 832 H HN 0.576 nan 8.280 nan 0.000 0.503 833 I N -0.196 120.444 120.570 0.117 0.000 2.969 833 I HA 0.543 4.714 4.170 0.002 0.000 0.307 833 I C -3.033 173.142 176.117 0.098 0.000 1.149 833 I CA -2.984 58.378 61.300 0.103 0.000 1.008 833 I CB 1.653 39.710 38.000 0.094 0.000 1.232 833 I HN 0.062 nan 8.210 nan 0.000 0.435 834 P HA 0.044 nan 4.420 nan 0.000 0.270 834 P C 0.243 177.598 177.300 0.091 0.000 1.221 834 P CA -0.204 62.944 63.100 0.079 0.000 0.788 834 P CB 0.557 32.296 31.700 0.065 0.000 0.904 835 K N 1.229 121.674 120.400 0.075 0.000 2.097 835 K HA -0.174 4.148 4.320 0.002 0.000 0.205 835 K C 0.457 177.116 176.600 0.098 0.000 1.050 835 K CA 1.983 58.313 56.287 0.070 0.000 0.938 835 K CB -0.280 32.249 32.500 0.049 0.000 0.718 835 K HN 0.409 nan 8.250 nan 0.000 0.442 836 D N 0.526 120.980 120.400 0.091 0.000 2.349 836 D HA 0.082 4.723 4.640 0.002 0.000 0.215 836 D C 0.048 176.412 176.300 0.108 0.000 1.016 836 D CA 0.235 54.293 54.000 0.097 0.000 0.870 836 D CB 0.172 41.009 40.800 0.062 0.000 0.917 836 D HN 0.246 nan 8.370 nan 0.000 0.524 837 A N 1.892 124.779 122.820 0.111 0.000 2.592 837 A HA 0.081 4.402 4.320 0.002 0.000 0.250 837 A C -2.107 175.476 177.584 -0.000 0.000 1.017 837 A CA -0.513 51.565 52.037 0.068 0.000 0.794 837 A CB -0.267 18.789 19.000 0.094 0.000 0.917 837 A HN 0.015 nan 8.150 nan 0.000 0.515 838 P HA 0.163 nan 4.420 nan 0.000 0.271 838 P C 0.815 177.884 177.300 -0.384 0.000 1.218 838 P CA -0.524 62.474 63.100 -0.171 0.000 0.780 838 P CB 0.441 32.086 31.700 -0.092 0.000 0.901 839 L N 2.161 123.054 121.223 -0.551 0.000 2.123 839 L HA -0.278 4.063 4.340 0.002 0.000 0.217 839 L C 1.926 178.589 176.870 -0.345 0.000 1.081 839 L CA 2.064 56.511 54.840 -0.655 0.000 0.772 839 L CB -1.473 40.376 42.059 -0.350 0.000 0.890 839 L HN 0.430 nan 8.230 nan 0.000 0.437 840 E N -0.822 119.253 120.200 -0.209 0.000 2.152 840 E HA -0.099 4.253 4.350 0.002 0.000 0.192 840 E C 2.277 178.816 176.600 -0.102 0.000 0.983 840 E CA 0.905 57.233 56.400 -0.120 0.000 0.818 840 E CB -0.219 29.435 29.700 -0.078 0.000 0.758 840 E HN 0.304 nan 8.360 nan 0.000 0.467 841 V N 0.628 120.472 119.914 -0.117 0.000 2.453 841 V HA -0.155 3.966 4.120 0.002 0.000 0.247 841 V C 2.103 178.162 176.094 -0.057 0.000 1.048 841 V CA 1.600 63.859 62.300 -0.069 0.000 1.049 841 V CB -0.703 31.090 31.823 -0.049 0.000 0.672 841 V HN 0.320 nan 8.190 nan 0.000 0.457 842 A N 0.534 123.289 122.820 -0.108 0.000 1.840 842 A HA -0.167 4.154 4.320 0.002 0.000 0.214 842 A C 2.393 179.964 177.584 -0.022 0.000 1.198 842 A CA 1.651 53.671 52.037 -0.028 0.000 0.608 842 A CB -0.607 18.399 19.000 0.010 0.000 0.839 842 A HN 0.429 nan 8.150 nan 0.000 0.443 843 R N -0.118 120.344 120.500 -0.064 0.000 2.133 843 R HA -0.252 4.089 4.340 0.002 0.000 0.245 843 R C 2.226 178.513 176.300 -0.021 0.000 1.137 843 R CA 2.104 58.185 56.100 -0.031 0.000 0.947 843 R CB -0.568 29.705 30.300 -0.045 0.000 0.865 843 R HN 0.444 nan 8.270 nan 0.000 0.437 844 A N 1.100 123.904 122.820 -0.026 0.000 1.841 844 A HA -0.176 4.145 4.320 0.002 0.000 0.216 844 A C 1.994 179.569 177.584 -0.015 0.000 1.199 844 A CA 1.608 53.636 52.037 -0.015 0.000 0.621 844 A CB -0.723 18.268 19.000 -0.014 0.000 0.835 844 A HN 0.443 nan 8.150 nan 0.000 0.445 845 E N -0.219 119.977 120.200 -0.007 0.000 2.396 845 E HA -0.109 4.242 4.350 0.002 0.000 0.200 845 E C 1.963 178.558 176.600 -0.009 0.000 1.023 845 E CA 0.899 57.300 56.400 0.002 0.000 0.857 845 E CB -0.245 29.468 29.700 0.022 0.000 0.775 845 E HN 0.574 nan 8.360 nan 0.000 0.525 846 A N 0.344 123.152 122.820 -0.020 0.000 1.871 846 A HA 0.013 4.334 4.320 0.002 0.000 0.211 846 A C 2.125 179.650 177.584 -0.097 0.000 1.207 846 A CA 0.128 52.143 52.037 -0.036 0.000 0.620 846 A CB -0.544 18.448 19.000 -0.013 0.000 0.860 846 A HN 0.219 nan 8.150 nan 0.000 0.450 847 L N -0.076 121.077 121.223 -0.118 0.000 2.574 847 L HA -0.188 4.153 4.340 0.002 0.000 0.230 847 L C 0.990 177.614 176.870 -0.409 0.000 1.160 847 L CA 1.733 56.413 54.840 -0.267 0.000 0.807 847 L CB -0.612 41.389 42.059 -0.096 0.000 0.931 847 L HN 0.613 nan 8.230 nan 0.000 0.450 848 K N -0.964 119.315 120.400 -0.201 0.000 3.278 848 K HA 0.333 4.654 4.320 0.002 0.000 0.200 848 K C -0.001 176.551 176.600 -0.079 0.000 1.107 848 K CA -0.527 55.676 56.287 -0.140 0.000 0.923 848 K CB 0.137 32.602 32.500 -0.057 0.000 0.787 848 K HN -0.028 nan 8.250 nan 0.000 0.481 849 V N -1.380 118.480 119.914 -0.091 0.000 3.747 849 V HA 0.035 4.156 4.120 0.002 0.000 0.299 849 V C 1.691 177.776 176.094 -0.016 0.000 1.103 849 V CA -0.283 61.993 62.300 -0.040 0.000 1.154 849 V CB 0.181 31.980 31.823 -0.040 0.000 1.127 849 V HN 0.506 nan 8.190 nan 0.000 0.482 850 R N 1.642 122.145 120.500 0.005 0.000 2.143 850 R HA -0.189 4.152 4.340 0.002 0.000 0.239 850 R C 1.713 178.020 176.300 0.011 0.000 1.126 850 R CA 2.344 58.453 56.100 0.015 0.000 0.927 850 R CB -0.619 29.695 30.300 0.023 0.000 0.860 850 R HN 1.030 nan 8.270 nan 0.000 0.433 851 N N 0.034 118.739 118.700 0.009 0.000 2.251 851 N HA -0.005 4.736 4.740 0.002 0.000 0.217 851 N C 0.180 175.698 175.510 0.015 0.000 1.124 851 N CA 0.367 53.425 53.050 0.014 0.000 0.843 851 N CB 0.716 39.214 38.487 0.017 0.000 1.024 851 N HN 0.029 nan 8.380 nan 0.000 0.501 852 V N 0.119 120.029 119.914 -0.006 0.000 4.112 852 V HA -0.348 3.773 4.120 0.002 0.000 0.233 852 V C 1.909 178.004 176.094 0.001 0.000 0.458 852 V CA 1.471 63.753 62.300 -0.030 0.000 0.909 852 V CB -2.446 29.394 31.823 0.029 0.000 0.963 852 V HN 0.512 nan 8.190 nan 0.000 1.260 853 R N 1.518 122.020 120.500 0.003 0.000 2.133 853 R HA -0.179 4.162 4.340 0.002 0.000 0.247 853 R C 2.142 178.457 176.300 0.025 0.000 1.151 853 R CA 2.466 58.578 56.100 0.019 0.000 0.971 853 R CB -0.487 29.820 30.300 0.011 0.000 0.866 853 R HN 0.805 nan 8.270 nan 0.000 0.447 854 A N -0.840 121.974 122.820 -0.010 0.000 1.978 854 A HA -0.209 4.112 4.320 0.002 0.000 0.220 854 A C 1.879 179.510 177.584 0.078 0.000 1.170 854 A CA 1.872 53.907 52.037 -0.003 0.000 0.636 854 A CB -0.735 18.226 19.000 -0.065 0.000 0.810 854 A HN 0.669 nan 8.150 nan 0.000 0.448 855 H N -1.812 117.265 119.070 0.012 0.000 2.384 855 H HA 0.080 4.637 4.556 0.002 0.000 0.300 855 H C 1.208 176.542 175.328 0.009 0.000 1.057 855 H CA 0.464 56.518 56.048 0.010 0.000 1.370 855 H CB 0.062 29.830 29.762 0.010 0.000 1.417 855 H HN 0.347 nan 8.280 nan 0.000 0.527 856 L N 1.189 122.499 121.223 0.145 0.000 2.757 856 L HA -0.172 4.169 4.340 0.002 0.000 0.243 856 L C 0.642 177.546 176.870 0.056 0.000 1.182 856 L CA 1.650 56.536 54.840 0.078 0.000 0.851 856 L CB -0.302 41.791 42.059 0.056 0.000 0.989 856 L HN 0.459 nan 8.230 nan 0.000 0.457 857 E N -2.902 117.337 120.200 0.066 0.000 2.461 857 E HA 0.152 4.503 4.350 0.002 0.000 0.185 857 E C 0.972 177.601 176.600 0.048 0.000 0.942 857 E CA 0.455 56.883 56.400 0.046 0.000 1.434 857 E CB 0.226 29.948 29.700 0.037 0.000 1.899 857 E HN 0.218 nan 8.360 nan 0.000 0.862 858 G N 2.024 110.868 108.800 0.073 0.000 3.005 858 G HA2 0.321 4.282 3.960 0.002 0.000 0.342 858 G HA3 0.321 4.282 3.960 0.002 0.000 0.342 858 G C 0.110 175.047 174.900 0.063 0.000 1.101 858 G CA -0.289 44.854 45.100 0.071 0.000 1.225 858 G HN -0.116 nan 8.290 nan 0.000 0.462 859 K N 1.078 121.494 120.400 0.027 0.000 2.564 859 K HA 0.235 4.556 4.320 0.002 0.000 0.205 859 K C 0.275 176.875 176.600 -0.001 0.000 1.053 859 K CA 0.060 56.346 56.287 -0.002 0.000 1.072 859 K CB 1.108 33.598 32.500 -0.017 0.000 0.822 859 K HN 0.411 nan 8.250 nan 0.000 0.497 860 E N -0.452 119.755 120.200 0.011 0.000 3.952 860 E HA 0.121 4.472 4.350 0.002 0.000 0.223 860 E C -0.551 176.057 176.600 0.014 0.000 1.295 860 E CA -0.217 56.189 56.400 0.009 0.000 1.670 860 E CB 0.726 30.431 29.700 0.009 0.000 1.588 860 E HN -0.097 nan 8.360 nan 0.000 0.664 861 V N 0.379 120.305 119.914 0.019 0.000 3.718 861 V HA -0.232 3.889 4.120 0.002 0.000 0.530 861 V C 0.387 176.491 176.094 0.016 0.000 0.682 861 V CA 0.971 63.283 62.300 0.021 0.000 2.090 861 V CB -0.611 31.228 31.823 0.026 0.000 2.494 861 V HN 0.228 nan 8.190 nan 0.000 0.517 862 V N 1.132 121.057 119.914 0.017 0.000 3.154 862 V HA 0.341 4.462 4.120 0.002 0.000 0.221 862 V C 0.197 176.300 176.094 0.015 0.000 1.504 862 V CA 1.333 63.641 62.300 0.014 0.000 1.243 862 V CB 1.109 32.940 31.823 0.013 0.000 1.115 862 V HN 0.926 nan 8.190 nan 0.000 0.481 863 K N 0.860 121.271 120.400 0.018 0.000 2.527 863 K HA 0.581 4.902 4.320 0.002 0.000 0.260 863 K C -1.695 174.921 176.600 0.027 0.000 0.937 863 K CA -0.412 55.887 56.287 0.021 0.000 0.826 863 K CB 2.734 35.245 32.500 0.019 0.000 1.359 863 K HN 0.255 nan 8.250 nan 0.000 0.434 864 E N 3.453 123.672 120.200 0.033 0.000 2.256 864 E HA 0.393 4.744 4.350 0.002 0.000 0.268 864 E C -0.893 175.744 176.600 0.062 0.000 0.877 864 E CA -0.952 55.476 56.400 0.046 0.000 0.757 864 E CB 1.888 31.615 29.700 0.045 0.000 1.183 864 E HN 0.314 nan 8.360 nan 0.000 0.418 865 I N 2.731 123.344 120.570 0.072 0.000 2.404 865 I HA 0.311 4.482 4.170 0.002 0.000 0.293 865 I C -0.913 175.285 176.117 0.135 0.000 0.992 865 I CA -0.751 60.599 61.300 0.082 0.000 1.149 865 I CB 0.892 38.918 38.000 0.043 0.000 1.315 865 I HN 0.590 nan 8.210 nan 0.000 0.446 866 Y N 5.839 126.140 120.300 0.002 0.000 2.391 866 Y HA 0.594 5.145 4.550 0.002 0.000 0.341 866 Y C -0.928 174.972 175.900 0.001 0.000 0.965 866 Y CA -0.769 57.332 58.100 0.001 0.000 1.067 866 Y CB 1.812 40.273 38.460 0.002 0.000 1.199 866 Y HN 0.223 nan 8.280 nan 0.000 0.450 867 V N 9.674 129.253 119.914 -0.559 0.000 2.357 867 V HA 0.241 4.362 4.120 0.002 0.000 0.281 867 V C -1.861 173.858 176.094 -0.624 0.000 1.015 867 V CA -1.722 60.337 62.300 -0.401 0.000 0.827 867 V CB 1.422 33.115 31.823 -0.216 0.000 1.018 867 V HN 0.754 nan 8.190 nan 0.000 0.432 868 P HA -0.280 nan 4.420 nan 0.000 0.222 868 P C 1.626 178.804 177.300 -0.202 0.000 1.155 868 P CA 2.191 65.141 63.100 -0.250 0.000 0.890 868 P CB 0.224 31.911 31.700 -0.022 0.000 0.790 869 G N -0.403 108.297 108.800 -0.167 0.000 2.941 869 G HA2 -0.234 3.727 3.960 0.002 0.000 0.206 869 G HA3 -0.234 3.727 3.960 0.002 0.000 0.206 869 G C 0.573 175.404 174.900 -0.115 0.000 1.403 869 G CA 1.074 46.109 45.100 -0.108 0.000 0.805 869 G HN 0.287 nan 8.290 nan 0.000 0.689 870 K N -0.854 119.468 120.400 -0.131 0.000 3.394 870 K HA 0.476 4.797 4.320 0.002 0.000 0.175 870 K C -1.485 175.043 176.600 -0.120 0.000 1.047 870 K CA -0.255 55.967 56.287 -0.109 0.000 0.814 870 K CB 0.948 33.410 32.500 -0.065 0.000 0.803 870 K HN 0.208 nan 8.250 nan 0.000 0.522 871 I N 0.988 121.448 120.570 -0.185 0.000 2.828 871 I HA 0.378 4.549 4.170 0.002 0.000 0.295 871 I C -2.375 173.649 176.117 -0.155 0.000 1.459 871 I CA -0.835 60.383 61.300 -0.137 0.000 1.015 871 I CB 2.233 40.172 38.000 -0.103 0.000 1.345 871 I HN 0.122 nan 8.210 nan 0.000 0.449 872 L N 6.639 127.843 121.223 -0.032 0.000 2.541 872 L HA 0.632 4.973 4.340 0.002 0.000 0.266 872 L C -1.855 175.047 176.870 0.053 0.000 0.966 872 L CA -0.105 54.779 54.840 0.073 0.000 0.871 872 L CB 1.371 43.545 42.059 0.193 0.000 1.232 872 L HN 0.623 nan 8.230 nan 0.000 0.408 873 N N 4.581 123.312 118.700 0.051 0.000 2.362 873 N HA 0.625 5.366 4.740 0.002 0.000 0.298 873 N C -1.580 173.956 175.510 0.044 0.000 1.048 873 N CA -0.379 52.693 53.050 0.036 0.000 0.858 873 N CB 1.571 40.070 38.487 0.021 0.000 1.218 873 N HN 0.650 nan 8.380 nan 0.000 0.488 874 L N 2.964 124.209 121.223 0.037 0.000 2.295 874 L HA 0.438 4.779 4.340 0.002 0.000 0.281 874 L C -0.374 176.513 176.870 0.029 0.000 1.018 874 L CA -1.195 53.666 54.840 0.036 0.000 0.841 874 L CB 1.395 43.477 42.059 0.039 0.000 1.218 874 L HN 0.180 nan 8.230 nan 0.000 0.424 875 V N 4.625 124.555 119.914 0.027 0.000 2.397 875 V HA 0.074 4.195 4.120 0.002 0.000 0.262 875 V C 0.851 176.958 176.094 0.021 0.000 1.047 875 V CA -0.207 62.106 62.300 0.022 0.000 1.003 875 V CB 0.822 32.657 31.823 0.019 0.000 1.037 875 V HN 0.450 nan 8.190 nan 0.000 0.480 876 V N 0.000 119.926 119.914 0.021 0.000 2.409 876 V HA 0.000 4.121 4.120 0.002 0.000 0.244 876 V CA 0.000 62.312 62.300 0.020 0.000 1.235 876 V CB 0.000 31.835 31.823 0.021 0.000 1.184 876 V HN 0.000 nan 8.190 nan 0.000 0.556