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 2v0g_1_A 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 0.000 176.366 176.300 0.110 0.000 1.140 1 M CA 0.000 55.346 55.300 0.077 0.000 0.988 1 M CB 0.000 32.656 32.600 0.094 0.000 1.302 2 E N 3.950 124.238 120.200 0.146 0.000 2.435 2 E HA 0.316 4.665 4.350 -0.001 0.000 0.254 2 E C -1.154 175.575 176.600 0.214 0.000 1.289 2 E CA -0.547 55.958 56.400 0.174 0.000 0.983 2 E CB 1.152 30.981 29.700 0.215 0.000 1.010 2 E HN 0.617 nan 8.360 nan 0.000 0.509 3 K N -0.530 119.936 120.400 0.110 0.000 2.444 3 K HA 0.184 4.504 4.320 -0.001 0.000 0.252 3 K C -1.537 174.838 176.600 -0.376 0.000 0.993 3 K CA -0.977 55.288 56.287 -0.037 0.000 0.847 3 K CB 1.230 33.743 32.500 0.021 0.000 1.340 3 K HN 0.494 nan 8.250 nan 0.000 0.446 4 Y N 2.554 122.418 120.300 -0.728 0.000 2.537 4 Y HA 0.201 4.751 4.550 -0.001 0.000 0.339 4 Y C -0.817 174.974 175.900 -0.181 0.000 1.066 4 Y CA -0.331 57.288 58.100 -0.802 0.000 1.357 4 Y CB 0.226 38.399 38.460 -0.478 0.000 1.175 4 Y HN 0.444 nan 8.280 nan 0.000 0.525 5 N N 9.186 127.675 118.700 -0.352 0.000 2.564 5 N HA 0.322 5.062 4.740 -0.001 0.000 0.248 5 N C -2.327 172.966 175.510 -0.362 0.000 0.986 5 N CA -2.410 50.478 53.050 -0.269 0.000 0.921 5 N CB 1.682 40.153 38.487 -0.027 0.000 1.136 5 N HN 0.321 nan 8.380 nan 0.000 0.509 6 P HA -0.133 nan 4.420 nan 0.000 0.213 6 P C 0.550 177.699 177.300 -0.252 0.000 1.170 6 P CA 1.681 64.481 63.100 -0.499 0.000 0.902 6 P CB 0.138 31.440 31.700 -0.663 0.000 0.789 7 H N -0.945 118.067 119.070 -0.097 0.000 2.489 7 H HA 0.012 4.567 4.556 -0.001 0.000 0.295 7 H C 1.910 177.220 175.328 -0.029 0.000 1.082 7 H CA 1.218 57.237 56.048 -0.047 0.000 1.295 7 H CB -0.873 28.868 29.762 -0.035 0.000 1.380 7 H HN 0.108 nan 8.280 nan 0.000 0.548 8 A N 0.956 123.825 122.820 0.083 0.000 1.898 8 A HA -0.081 4.239 4.320 -0.001 0.000 0.216 8 A C 2.268 179.880 177.584 0.045 0.000 1.181 8 A CA 1.722 53.797 52.037 0.063 0.000 0.620 8 A CB -0.461 18.589 19.000 0.085 0.000 0.819 8 A HN 0.581 nan 8.150 nan 0.000 0.442 9 I N -4.401 116.223 120.570 0.089 0.000 2.947 9 I HA 0.139 4.309 4.170 -0.001 0.000 0.263 9 I C 1.854 178.072 176.117 0.168 0.000 1.130 9 I CA 0.831 62.228 61.300 0.162 0.000 1.448 9 I CB -0.604 37.636 38.000 0.400 0.000 1.222 9 I HN 0.144 nan 8.210 nan 0.000 0.453 10 E N 2.029 122.276 120.200 0.079 0.000 2.130 10 E HA -0.198 4.152 4.350 -0.001 0.000 0.196 10 E C 2.220 178.814 176.600 -0.009 0.000 0.998 10 E CA 1.700 58.054 56.400 -0.077 0.000 0.806 10 E CB -0.103 29.391 29.700 -0.343 0.000 0.738 10 E HN 0.719 nan 8.360 nan 0.000 0.459 11 A N 1.209 124.027 122.820 -0.004 0.000 2.044 11 A HA -0.056 4.264 4.320 -0.001 0.000 0.213 11 A C 1.962 179.539 177.584 -0.012 0.000 1.169 11 A CA 0.658 52.706 52.037 0.018 0.000 0.724 11 A CB -0.110 18.899 19.000 0.016 0.000 0.840 11 A HN 0.080 nan 8.150 nan 0.000 0.463 12 K N -0.623 119.724 120.400 -0.089 0.000 2.015 12 K HA -0.256 4.064 4.320 -0.001 0.000 0.216 12 K C 1.794 178.246 176.600 -0.246 0.000 1.052 12 K CA 2.233 58.382 56.287 -0.230 0.000 0.937 12 K CB -0.452 31.798 32.500 -0.417 0.000 0.719 12 K HN 0.600 nan 8.250 nan 0.000 0.446 13 W N 1.358 122.526 121.300 -0.220 0.000 2.381 13 W HA -0.090 4.569 4.660 -0.000 0.000 0.301 13 W C 2.646 178.766 176.519 -0.665 0.000 1.205 13 W CA 0.845 57.880 57.345 -0.517 0.000 1.285 13 W CB -0.174 28.846 29.460 -0.733 0.000 1.133 13 W HN 0.311 nan 8.180 nan 0.000 0.521 14 Q N 0.432 120.147 119.800 -0.140 0.000 2.012 14 Q HA -0.300 4.040 4.340 -0.001 0.000 0.211 14 Q C 2.134 178.259 176.000 0.207 0.000 1.009 14 Q CA 2.221 58.119 55.803 0.157 0.000 0.866 14 Q CB -0.616 28.276 28.738 0.256 0.000 0.945 14 Q HN 0.274 nan 8.270 nan 0.000 0.414 15 R N -0.566 120.015 120.500 0.135 0.000 2.153 15 R HA -0.223 4.117 4.340 -0.001 0.000 0.252 15 R C 2.109 178.524 176.300 0.192 0.000 1.158 15 R CA 1.766 57.945 56.100 0.133 0.000 0.975 15 R CB -0.433 29.907 30.300 0.068 0.000 0.871 15 R HN 0.294 nan 8.270 nan 0.000 0.450 16 F N -0.109 119.866 119.950 0.042 0.000 2.149 16 F HA -0.161 4.366 4.527 -0.001 0.000 0.294 16 F C 1.727 177.729 175.800 0.337 0.000 1.095 16 F CA 1.017 59.093 58.000 0.128 0.000 1.276 16 F CB -0.167 38.895 39.000 0.104 0.000 1.023 16 F HN -0.005 nan 8.300 nan 0.000 0.480 17 W N 1.062 122.683 121.300 0.535 0.000 2.342 17 W HA -0.150 4.510 4.660 -0.000 0.000 0.297 17 W C 2.417 179.046 176.519 0.184 0.000 1.213 17 W CA 1.522 59.163 57.345 0.494 0.000 1.251 17 W CB -1.356 28.468 29.460 0.607 0.000 1.136 17 W HN 0.218 nan 8.180 nan 0.000 0.526 18 E N 0.594 121.013 120.200 0.366 0.000 2.046 18 E HA -0.171 4.178 4.350 -0.001 0.000 0.190 18 E C 1.884 178.514 176.600 0.049 0.000 0.982 18 E CA 1.716 58.240 56.400 0.207 0.000 0.800 18 E CB -0.216 29.612 29.700 0.213 0.000 0.756 18 E HN 0.210 nan 8.360 nan 0.000 0.449 19 E N 0.084 120.287 120.200 0.006 0.000 2.031 19 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 19 E C 1.079 177.554 176.600 -0.207 0.000 0.994 19 E CA 1.041 57.398 56.400 -0.071 0.000 0.800 19 E CB 0.017 29.689 29.700 -0.046 0.000 0.752 19 E HN 0.028 nan 8.360 nan 0.000 0.447 20 K N 0.996 121.146 120.400 -0.416 0.000 2.665 20 K HA 0.058 4.377 4.320 -0.001 0.000 0.214 20 K C 0.112 176.165 176.600 -0.912 0.000 1.032 20 K CA 0.204 56.060 56.287 -0.718 0.000 1.198 20 K CB -0.197 31.662 32.500 -1.069 0.000 0.941 20 K HN 0.156 nan 8.250 nan 0.000 0.491 21 G N 1.664 110.202 108.800 -0.436 0.000 2.465 21 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.310 21 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.310 21 G C 0.437 175.088 174.900 -0.414 0.000 0.299 21 G CA 0.187 45.115 45.100 -0.286 0.000 1.113 21 G HN 0.213 nan 8.290 nan 0.000 0.469 22 F N 1.486 121.292 119.950 -0.239 0.000 2.104 22 F HA 0.130 4.657 4.527 -0.001 0.000 0.288 22 F C 2.508 178.077 175.800 -0.384 0.000 1.107 22 F CA 0.785 58.504 58.000 -0.468 0.000 1.208 22 F CB -0.199 38.114 39.000 -1.144 0.000 1.033 22 F HN 0.263 nan 8.300 nan 0.000 0.478 23 M N 1.498 120.998 119.600 -0.168 0.000 2.941 23 M HA 0.005 4.485 4.480 -0.001 0.000 0.199 23 M C -0.020 176.233 176.300 -0.078 0.000 1.245 23 M CA 0.208 55.441 55.300 -0.112 0.000 1.137 23 M CB -1.911 30.640 32.600 -0.082 0.000 1.712 23 M HN -0.091 nan 8.290 nan 0.000 0.433 24 K N 1.744 122.100 120.400 -0.073 0.000 2.378 24 K HA 0.382 4.702 4.320 -0.001 0.000 0.288 24 K C -0.204 176.367 176.600 -0.048 0.000 1.057 24 K CA -0.002 56.252 56.287 -0.055 0.000 0.971 24 K CB 0.531 33.002 32.500 -0.050 0.000 0.975 24 K HN 0.330 nan 8.250 nan 0.000 0.475 25 A N 5.011 127.779 122.820 -0.086 0.000 2.454 25 A HA 0.119 4.439 4.320 -0.001 0.000 0.260 25 A C -0.010 177.600 177.584 0.043 0.000 1.106 25 A CA -0.274 51.701 52.037 -0.104 0.000 0.780 25 A CB 0.100 18.914 19.000 -0.310 0.000 1.044 25 A HN 0.843 nan 8.150 nan 0.000 0.498 26 K N 1.434 121.958 120.400 0.207 0.000 2.276 26 K HA 0.015 4.335 4.320 -0.001 0.000 0.259 26 K C -0.003 176.795 176.600 0.330 0.000 1.001 26 K CA -0.301 56.130 56.287 0.239 0.000 0.927 26 K CB 0.372 33.005 32.500 0.223 0.000 0.969 26 K HN 0.796 nan 8.250 nan 0.000 0.490 27 D N 1.629 122.144 120.400 0.191 0.000 2.106 27 D HA -0.026 4.614 4.640 -0.001 0.000 0.203 27 D C 0.167 176.555 176.300 0.146 0.000 0.977 27 D CA 1.282 55.390 54.000 0.180 0.000 0.844 27 D CB 0.229 41.084 40.800 0.093 0.000 1.002 27 D HN 0.346 nan 8.370 nan 0.000 0.461 28 L N 1.933 123.160 121.223 0.006 0.000 2.433 28 L HA 0.311 4.651 4.340 -0.001 0.000 0.256 28 L C -2.449 174.286 176.870 -0.225 0.000 1.063 28 L CA -1.662 53.100 54.840 -0.130 0.000 0.922 28 L CB 1.955 43.970 42.059 -0.073 0.000 1.238 28 L HN -0.267 nan 8.230 nan 0.000 0.466 29 P HA -0.100 nan 4.420 nan 0.000 0.257 29 P C 0.434 177.574 177.300 -0.266 0.000 1.153 29 P CA 0.575 63.402 63.100 -0.455 0.000 0.762 29 P CB 0.860 32.054 31.700 -0.844 0.000 0.743 30 G N 2.778 111.479 108.800 -0.165 0.000 3.411 30 G HA2 0.342 4.302 3.960 -0.001 0.000 0.186 30 G HA3 0.342 4.302 3.960 -0.001 0.000 0.186 30 G C 1.279 176.119 174.900 -0.100 0.000 1.766 30 G CA 0.367 45.399 45.100 -0.112 0.000 0.971 30 G HN 0.502 nan 8.290 nan 0.000 0.590 31 G N -0.095 108.660 108.800 -0.075 0.000 2.770 31 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.212 31 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.212 31 G C 1.674 176.527 174.900 -0.078 0.000 1.357 31 G CA 1.016 46.075 45.100 -0.069 0.000 0.837 31 G HN 0.419 nan 8.290 nan 0.000 0.610 32 R N 0.604 121.053 120.500 -0.085 0.000 2.407 32 R HA 0.116 4.456 4.340 -0.001 0.000 0.241 32 R C 1.075 177.284 176.300 -0.151 0.000 1.180 32 R CA 1.051 57.075 56.100 -0.126 0.000 1.048 32 R CB -0.766 29.452 30.300 -0.136 0.000 0.847 32 R HN 0.955 nan 8.270 nan 0.000 0.488 33 G N -0.941 107.818 108.800 -0.069 0.000 2.497 33 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.686 33 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.686 33 G C -1.653 173.317 174.900 0.117 0.000 1.288 33 G CA -0.518 44.601 45.100 0.032 0.000 0.899 33 G HN 0.317 nan 8.290 nan 0.000 0.608 34 K N -0.476 120.011 120.400 0.146 0.000 2.385 34 K HA 0.896 5.216 4.320 -0.001 0.000 0.248 34 K C -0.679 176.036 176.600 0.191 0.000 0.955 34 K CA -0.891 55.477 56.287 0.135 0.000 0.816 34 K CB 2.312 34.753 32.500 -0.098 0.000 1.250 34 K HN 0.521 nan 8.250 nan 0.000 0.434 35 Q N 1.894 121.857 119.800 0.271 0.000 2.263 35 Q HA 0.192 4.532 4.340 -0.001 0.000 0.262 35 Q C -1.885 174.277 176.000 0.270 0.000 0.984 35 Q CA -0.585 55.297 55.803 0.132 0.000 0.813 35 Q CB 1.678 30.331 28.738 -0.142 0.000 1.299 35 Q HN 0.762 nan 8.270 nan 0.000 0.428 36 Y N 3.208 123.572 120.300 0.106 0.000 2.417 36 Y HA 0.416 4.965 4.550 -0.000 0.000 0.336 36 Y C -0.929 174.980 175.900 0.016 0.000 0.961 36 Y CA -1.149 56.975 58.100 0.039 0.000 1.215 36 Y CB 0.757 39.272 38.460 0.091 0.000 1.120 36 Y HN 0.269 nan 8.280 nan 0.000 0.499 37 V N 8.025 128.101 119.914 0.270 0.000 2.394 37 V HA 0.419 4.538 4.120 -0.001 0.000 0.282 37 V C -0.726 175.486 176.094 0.197 0.000 1.031 37 V CA -0.762 61.638 62.300 0.167 0.000 0.881 37 V CB 1.455 33.356 31.823 0.130 0.000 0.982 37 V HN 0.572 nan 8.190 nan 0.000 0.451 38 L N 6.127 127.392 121.223 0.071 0.000 2.438 38 L HA 0.675 5.015 4.340 -0.001 0.000 0.270 38 L C -0.583 176.287 176.870 -0.000 0.000 0.972 38 L CA -0.152 54.713 54.840 0.041 0.000 0.831 38 L CB 2.236 44.301 42.059 0.011 0.000 1.273 38 L HN 0.458 nan 8.230 nan 0.000 0.405 39 V N 4.877 124.760 119.914 -0.051 0.000 2.439 39 V HA 0.392 4.511 4.120 -0.001 0.000 0.282 39 V C 0.765 176.731 176.094 -0.214 0.000 1.039 39 V CA -0.679 61.510 62.300 -0.185 0.000 0.913 39 V CB 1.259 32.993 31.823 -0.148 0.000 0.983 39 V HN 0.816 nan 8.190 nan 0.000 0.460 40 M N 5.876 125.220 119.600 -0.427 0.000 2.255 40 M HA 0.108 4.588 4.480 -0.001 0.000 0.356 40 M C -0.061 176.093 176.300 -0.243 0.000 1.338 40 M CA 0.398 55.453 55.300 -0.409 0.000 0.962 40 M CB -0.103 32.188 32.600 -0.515 0.000 1.877 40 M HN 0.723 nan 8.290 nan 0.000 0.463 41 F N 4.237 123.979 119.950 -0.347 0.000 2.382 41 F HA 0.730 5.256 4.527 -0.000 0.000 0.331 41 F C -2.603 172.993 175.800 -0.340 0.000 1.121 41 F CA -3.672 54.102 58.000 -0.377 0.000 1.183 41 F CB -1.130 37.523 39.000 -0.578 0.000 1.207 41 F HN 0.277 nan 8.300 nan 0.000 0.555 42 P HA 0.213 nan 4.420 nan 0.000 0.296 42 P C -1.461 175.820 177.300 -0.032 0.000 1.306 42 P CA -0.349 62.772 63.100 0.036 0.000 0.818 42 P CB 0.531 32.331 31.700 0.166 0.000 0.969 43 Y N 4.033 124.339 120.300 0.009 0.000 2.632 43 Y HA 0.129 4.679 4.550 -0.001 0.000 0.329 43 Y C -1.432 174.419 175.900 -0.081 0.000 1.174 43 Y CA -1.556 56.521 58.100 -0.038 0.000 1.469 43 Y CB -0.612 37.830 38.460 -0.030 0.000 1.242 43 Y HN 0.282 nan 8.280 nan 0.000 0.540 44 P HA 0.246 nan 4.420 nan 0.000 0.292 44 P C -0.959 176.202 177.300 -0.233 0.000 1.326 44 P CA -0.521 62.469 63.100 -0.183 0.000 0.787 44 P CB 0.989 32.483 31.700 -0.343 0.000 0.903 45 S N 1.765 117.347 115.700 -0.196 0.000 2.862 45 S HA 0.566 5.035 4.470 -0.001 0.000 0.148 45 S C -0.235 174.397 174.600 0.054 0.000 0.829 45 S CA -0.187 57.995 58.200 -0.029 0.000 0.991 45 S CB -0.645 62.598 63.200 0.071 0.000 1.607 45 S HN 0.861 nan 8.310 nan 0.000 0.474 46 G N 1.529 110.342 108.800 0.021 0.000 2.484 46 G HA2 0.247 4.206 3.960 -0.001 0.000 0.685 46 G HA3 0.247 4.206 3.960 -0.001 0.000 0.685 46 G C -1.703 173.186 174.900 -0.019 0.000 1.294 46 G CA -0.926 44.227 45.100 0.087 0.000 0.879 46 G HN 0.478 nan 8.290 nan 0.000 0.646 47 D N 0.217 120.646 120.400 0.048 0.000 2.264 47 D HA 0.535 5.175 4.640 -0.001 0.000 0.249 47 D C 1.160 177.531 176.300 0.120 0.000 1.070 47 D CA -0.137 53.877 54.000 0.023 0.000 0.912 47 D CB 1.318 42.143 40.800 0.042 0.000 1.193 47 D HN 0.477 nan 8.370 nan 0.000 0.427 48 L N 1.767 123.028 121.223 0.062 0.000 2.453 48 L HA 0.329 4.669 4.340 -0.001 0.000 0.261 48 L C 0.129 177.114 176.870 0.191 0.000 1.179 48 L CA -0.253 54.676 54.840 0.149 0.000 0.813 48 L CB 0.310 42.369 42.059 -0.001 0.000 1.110 48 L HN 0.578 nan 8.230 nan 0.000 0.466 49 H N -0.248 118.934 119.070 0.186 0.000 3.038 49 H HA 0.336 4.892 4.556 -0.001 0.000 0.362 49 H C 0.316 175.533 175.328 -0.186 0.000 1.167 49 H CA -0.983 55.024 56.048 -0.069 0.000 1.197 49 H CB 0.704 30.393 29.762 -0.122 0.000 1.840 49 H HN 0.340 nan 8.280 nan 0.000 0.540 50 M N 1.991 121.444 119.600 -0.245 0.000 2.538 50 M HA -0.283 4.196 4.480 -0.001 0.000 0.254 50 M C 2.474 178.638 176.300 -0.227 0.000 1.002 50 M CA 2.586 57.662 55.300 -0.373 0.000 1.026 50 M CB -1.861 30.220 32.600 -0.865 0.000 1.371 50 M HN 1.038 nan 8.290 nan 0.000 0.441 51 G N -1.307 107.402 108.800 -0.151 0.000 2.606 51 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.221 51 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.221 51 G C 1.321 176.033 174.900 -0.314 0.000 1.152 51 G CA 1.970 46.958 45.100 -0.186 0.000 0.765 51 G HN 0.692 nan 8.290 nan 0.000 0.595 52 H N -0.573 118.267 119.070 -0.383 0.000 2.284 52 H HA 0.155 4.711 4.556 -0.001 0.000 0.304 52 H C 2.546 177.886 175.328 0.020 0.000 1.069 52 H CA 0.629 56.579 56.048 -0.164 0.000 1.327 52 H CB -0.179 29.494 29.762 -0.148 0.000 1.387 52 H HN 0.073 nan 8.280 nan 0.000 0.498 53 L N 1.669 122.981 121.223 0.149 0.000 2.456 53 L HA -0.230 4.110 4.340 -0.001 0.000 0.225 53 L C 2.211 179.135 176.870 0.091 0.000 1.142 53 L CA 1.420 56.371 54.840 0.184 0.000 0.796 53 L CB -0.728 41.357 42.059 0.043 0.000 0.920 53 L HN 0.373 nan 8.230 nan 0.000 0.446 54 K N 0.632 121.033 120.400 0.001 0.000 1.969 54 K HA -0.215 4.104 4.320 -0.001 0.000 0.216 54 K C 1.771 178.313 176.600 -0.096 0.000 1.048 54 K CA 2.008 58.270 56.287 -0.042 0.000 0.948 54 K CB -0.061 32.411 32.500 -0.047 0.000 0.726 54 K HN 0.412 nan 8.250 nan 0.000 0.442 55 N N -0.681 117.921 118.700 -0.164 0.000 2.011 55 N HA -0.230 4.509 4.740 -0.001 0.000 0.199 55 N C 2.018 177.393 175.510 -0.224 0.000 1.047 55 N CA 2.105 54.997 53.050 -0.264 0.000 0.863 55 N CB -0.438 37.806 38.487 -0.404 0.000 1.056 55 N HN 0.253 nan 8.380 nan 0.000 0.427 56 Y N 1.218 121.491 120.300 -0.045 0.000 2.139 56 Y HA -0.244 4.306 4.550 -0.000 0.000 0.282 56 Y C 2.950 178.836 175.900 -0.024 0.000 1.179 56 Y CA 1.272 59.382 58.100 0.017 0.000 1.161 56 Y CB -0.971 37.538 38.460 0.081 0.000 0.970 56 Y HN 0.099 nan 8.280 nan 0.000 0.511 57 T N 0.326 114.915 114.554 0.058 0.000 2.674 57 T HA -0.217 4.133 4.350 -0.001 0.000 0.265 57 T C 1.919 176.480 174.700 -0.233 0.000 1.039 57 T CA 1.621 63.676 62.100 -0.074 0.000 1.150 57 T CB -0.300 68.521 68.868 -0.079 0.000 0.864 57 T HN 0.142 nan 8.240 nan 0.000 0.427 58 M N 0.922 120.333 119.600 -0.316 0.000 3.424 58 M HA -0.182 4.298 4.480 -0.001 0.000 0.284 58 M C 2.744 178.816 176.300 -0.379 0.000 1.045 58 M CA 2.304 57.290 55.300 -0.524 0.000 1.057 58 M CB -1.951 30.393 32.600 -0.427 0.000 1.202 58 M HN 0.433 nan 8.290 nan 0.000 0.584 59 G N 0.467 109.156 108.800 -0.184 0.000 2.728 59 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.224 59 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.224 59 G C 1.300 176.020 174.900 -0.301 0.000 1.139 59 G CA 1.816 46.886 45.100 -0.051 0.000 0.761 59 G HN 0.690 nan 8.290 nan 0.000 0.621 60 D N 0.032 120.243 120.400 -0.315 0.000 2.097 60 D HA -0.087 4.553 4.640 -0.001 0.000 0.197 60 D C 2.731 178.718 176.300 -0.521 0.000 0.984 60 D CA 1.214 54.883 54.000 -0.553 0.000 0.826 60 D CB -0.330 40.273 40.800 -0.327 0.000 0.973 60 D HN 0.208 nan 8.370 nan 0.000 0.460 61 V N 1.351 120.975 119.914 -0.484 0.000 2.219 61 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 61 V C 2.962 178.811 176.094 -0.408 0.000 1.053 61 V CA 1.718 63.693 62.300 -0.543 0.000 1.009 61 V CB -0.700 30.718 31.823 -0.674 0.000 0.636 61 V HN 0.267 nan 8.190 nan 0.000 0.445 62 L N -0.282 120.771 121.223 -0.282 0.000 2.011 62 L HA -0.328 4.012 4.340 -0.001 0.000 0.225 62 L C 2.464 179.228 176.870 -0.177 0.000 1.084 62 L CA 2.422 57.186 54.840 -0.128 0.000 0.791 62 L CB -0.543 41.459 42.059 -0.095 0.000 0.898 62 L HN 0.407 nan 8.230 nan 0.000 0.440 63 A N -0.942 121.678 122.820 -0.334 0.000 2.015 63 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 63 A C 2.217 179.667 177.584 -0.225 0.000 1.163 63 A CA 1.447 53.282 52.037 -0.336 0.000 0.646 63 A CB -0.433 18.169 19.000 -0.663 0.000 0.806 63 A HN 0.466 nan 8.150 nan 0.000 0.448 64 R N -2.054 118.284 120.500 -0.271 0.000 2.153 64 R HA 0.049 4.389 4.340 -0.001 0.000 0.218 64 R C 1.861 178.075 176.300 -0.143 0.000 1.072 64 R CA 1.096 57.070 56.100 -0.210 0.000 0.990 64 R CB -0.358 29.625 30.300 -0.529 0.000 0.889 64 R HN 0.563 nan 8.270 nan 0.000 0.452 65 F N 2.073 121.803 119.950 -0.367 0.000 2.084 65 F HA -0.133 4.394 4.527 -0.001 0.000 0.296 65 F C 2.063 177.661 175.800 -0.336 0.000 1.111 65 F CA 1.414 59.123 58.000 -0.485 0.000 1.224 65 F CB -0.014 38.628 39.000 -0.597 0.000 0.991 65 F HN -0.237 nan 8.300 nan 0.000 0.471 66 R N 0.581 120.810 120.500 -0.452 0.000 2.080 66 R HA -0.195 4.144 4.340 -0.001 0.000 0.236 66 R C 2.322 178.573 176.300 -0.082 0.000 1.137 66 R CA 1.802 57.698 56.100 -0.340 0.000 0.943 66 R CB -1.365 28.792 30.300 -0.237 0.000 0.846 66 R HN 0.237 nan 8.270 nan 0.000 0.431 67 R N 0.682 121.170 120.500 -0.020 0.000 2.120 67 R HA 0.041 4.380 4.340 -0.001 0.000 0.234 67 R C 2.271 178.632 176.300 0.101 0.000 1.123 67 R CA 1.417 57.574 56.100 0.096 0.000 0.975 67 R CB -0.366 30.051 30.300 0.196 0.000 0.866 67 R HN 0.219 nan 8.270 nan 0.000 0.446 68 M N -0.351 119.263 119.600 0.023 0.000 2.229 68 M HA -0.130 4.350 4.480 -0.001 0.000 0.264 68 M C 1.758 178.061 176.300 0.004 0.000 1.063 68 M CA 1.544 56.862 55.300 0.030 0.000 1.114 68 M CB -0.008 32.655 32.600 0.106 0.000 1.387 68 M HN 0.239 nan 8.290 nan 0.000 0.420 69 Q N -0.629 119.084 119.800 -0.145 0.000 2.444 69 Q HA 0.036 4.375 4.340 -0.001 0.000 0.206 69 Q C 1.192 177.106 176.000 -0.143 0.000 0.948 69 Q CA 0.631 56.344 55.803 -0.150 0.000 0.946 69 Q CB 0.329 28.880 28.738 -0.313 0.000 1.027 69 Q HN 0.759 nan 8.270 nan 0.000 0.513 70 G N -0.110 108.647 108.800 -0.072 0.000 2.175 70 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.244 70 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.244 70 G C -0.200 174.634 174.900 -0.110 0.000 0.982 70 G CA -0.274 44.775 45.100 -0.085 0.000 0.641 70 G HN 0.304 nan 8.290 nan 0.000 0.527 71 Y N 0.982 121.235 120.300 -0.079 0.000 2.652 71 Y HA 0.363 4.912 4.550 -0.001 0.000 0.344 71 Y C 1.138 177.042 175.900 0.007 0.000 1.254 71 Y CA 0.640 58.711 58.100 -0.048 0.000 1.480 71 Y CB 0.419 38.837 38.460 -0.070 0.000 1.345 71 Y HN 0.249 nan 8.280 nan 0.000 0.617 72 E N 1.471 121.795 120.200 0.208 0.000 2.259 72 E HA 0.383 4.732 4.350 -0.001 0.000 0.281 72 E C -1.480 175.342 176.600 0.370 0.000 1.037 72 E CA -0.211 56.326 56.400 0.229 0.000 0.854 72 E CB 0.523 30.318 29.700 0.157 0.000 1.051 72 E HN 0.341 nan 8.360 nan 0.000 0.409 73 V N 5.166 125.239 119.914 0.265 0.000 2.487 73 V HA 0.321 4.441 4.120 -0.001 0.000 0.298 73 V C -0.968 175.072 176.094 -0.091 0.000 1.028 73 V CA -1.081 61.298 62.300 0.132 0.000 0.860 73 V CB 1.372 33.223 31.823 0.047 0.000 0.991 73 V HN 0.495 nan 8.190 nan 0.000 0.427 74 L N 4.591 125.613 121.223 -0.334 0.000 2.277 74 L HA 0.536 4.876 4.340 -0.001 0.000 0.284 74 L C -0.511 176.238 176.870 -0.202 0.000 1.028 74 L CA 0.041 54.505 54.840 -0.626 0.000 0.835 74 L CB 0.428 41.547 42.059 -1.568 0.000 1.215 74 L HN 0.812 nan 8.230 nan 0.000 0.425 75 H N 6.912 125.827 119.070 -0.259 0.000 2.645 75 H HA 0.500 5.055 4.556 -0.001 0.000 0.257 75 H C -2.809 172.413 175.328 -0.177 0.000 1.269 75 H CA -1.879 54.089 56.048 -0.133 0.000 1.409 75 H CB 1.536 31.226 29.762 -0.121 0.000 1.434 75 H HN 0.517 nan 8.280 nan 0.000 0.505 76 P HA 0.294 nan 4.420 nan 0.000 0.285 76 P C -0.795 175.795 177.300 -1.185 0.000 1.280 76 P CA -0.968 61.561 63.100 -0.952 0.000 0.862 76 P CB 2.420 33.194 31.700 -1.544 0.000 1.153 77 M N 0.647 119.414 119.600 -1.389 0.000 2.470 77 M HA 0.740 5.220 4.480 -0.001 0.000 0.285 77 M C -0.764 174.978 176.300 -0.931 0.000 1.213 77 M CA -0.180 54.289 55.300 -1.386 0.000 0.901 77 M CB 1.804 32.961 32.600 -2.405 0.000 1.718 77 M HN 0.698 nan 8.290 nan 0.000 0.469 78 G N 1.239 109.507 108.800 -0.885 0.000 2.570 78 G HA2 0.671 4.631 3.960 -0.001 0.000 0.310 78 G HA3 0.671 4.631 3.960 -0.001 0.000 0.310 78 G C -2.344 171.608 174.900 -1.580 0.000 1.266 78 G CA -0.652 43.794 45.100 -1.090 0.000 0.825 78 G HN 0.717 nan 8.290 nan 0.000 0.483 79 W N -1.390 119.550 121.300 -0.600 0.000 3.017 79 W HA 0.647 5.307 4.660 -0.001 0.000 0.341 79 W C -1.066 174.727 176.519 -1.211 0.000 1.180 79 W CA -0.449 56.459 57.345 -0.728 0.000 1.097 79 W CB 2.044 31.230 29.460 -0.457 0.000 1.468 79 W HN 0.370 nan 8.180 nan 0.000 0.584 80 D N 0.038 120.094 120.400 -0.573 0.000 2.739 80 D HA 0.348 4.988 4.640 -0.001 0.000 0.335 80 D C 0.836 177.134 176.300 -0.003 0.000 1.216 80 D CA -0.142 53.569 54.000 -0.481 0.000 0.808 80 D CB 0.646 41.199 40.800 -0.412 0.000 1.121 80 D HN 0.420 nan 8.370 nan 0.000 0.499 81 A N 1.287 124.082 122.820 -0.041 0.000 1.969 81 A HA -0.016 4.304 4.320 -0.001 0.000 0.218 81 A C 0.924 178.809 177.584 0.500 0.000 1.169 81 A CA 0.683 52.807 52.037 0.145 0.000 0.635 81 A CB -0.194 18.813 19.000 0.012 0.000 0.810 81 A HN 0.314 nan 8.150 nan 0.000 0.445 82 F N -0.803 119.217 119.950 0.117 0.000 2.368 82 F HA 0.512 5.038 4.527 -0.001 0.000 0.315 82 F C 1.288 177.200 175.800 0.188 0.000 1.145 82 F CA -0.345 57.672 58.000 0.029 0.000 1.095 82 F CB 0.340 39.252 39.000 -0.147 0.000 1.286 82 F HN 0.592 nan 8.300 nan 0.000 0.530 83 G N 1.534 110.446 108.800 0.187 0.000 2.725 83 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.220 83 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.220 83 G C 0.666 175.686 174.900 0.200 0.000 1.357 83 G CA -0.276 44.911 45.100 0.145 0.000 0.866 83 G HN 0.668 nan 8.290 nan 0.000 0.548 84 L N 0.663 121.967 121.223 0.134 0.000 1.990 84 L HA -0.079 4.261 4.340 -0.001 0.000 0.213 84 L C 0.385 177.250 176.870 -0.009 0.000 1.072 84 L CA 2.374 57.269 54.840 0.091 0.000 0.755 84 L CB -1.724 40.425 42.059 0.150 0.000 0.889 84 L HN 0.441 nan 8.230 nan 0.000 0.432 85 P HA -0.290 nan 4.420 nan 0.000 0.216 85 P C 1.495 178.740 177.300 -0.091 0.000 1.167 85 P CA 2.374 65.279 63.100 -0.325 0.000 0.914 85 P CB -0.058 31.174 31.700 -0.780 0.000 0.793 86 A N -0.611 122.215 122.820 0.010 0.000 1.821 86 A HA -0.248 4.071 4.320 -0.001 0.000 0.215 86 A C 2.319 179.945 177.584 0.069 0.000 1.214 86 A CA 1.930 54.013 52.037 0.077 0.000 0.608 86 A CB -1.615 17.431 19.000 0.077 0.000 0.862 86 A HN 0.178 nan 8.150 nan 0.000 0.448 87 E N -0.369 119.800 120.200 -0.051 0.000 2.119 87 E HA -0.362 3.988 4.350 -0.001 0.000 0.221 87 E C 1.935 178.514 176.600 -0.035 0.000 1.062 87 E CA 1.893 58.219 56.400 -0.122 0.000 0.894 87 E CB -0.284 29.390 29.700 -0.043 0.000 0.785 87 E HN 0.534 nan 8.360 nan 0.000 0.472 88 N N 0.111 118.814 118.700 0.005 0.000 2.106 88 N HA -0.298 4.441 4.740 -0.001 0.000 0.200 88 N C 1.632 177.142 175.510 -0.001 0.000 1.014 88 N CA 2.018 55.075 53.050 0.012 0.000 0.891 88 N CB -0.828 37.677 38.487 0.031 0.000 1.069 88 N HN 0.370 nan 8.380 nan 0.000 0.490 89 A N 0.710 123.570 122.820 0.066 0.000 1.845 89 A HA 0.040 4.359 4.320 -0.001 0.000 0.215 89 A C 2.411 179.975 177.584 -0.034 0.000 1.195 89 A CA 2.531 54.647 52.037 0.132 0.000 0.616 89 A CB -1.262 17.987 19.000 0.415 0.000 0.832 89 A HN 0.390 nan 8.150 nan 0.000 0.443 90 A N -0.308 122.466 122.820 -0.077 0.000 1.882 90 A HA -0.236 4.084 4.320 -0.001 0.000 0.220 90 A C 2.017 179.454 177.584 -0.246 0.000 1.253 90 A CA 2.279 54.117 52.037 -0.331 0.000 0.664 90 A CB -0.969 17.950 19.000 -0.136 0.000 0.838 90 A HN 0.459 nan 8.150 nan 0.000 0.460 91 L N -0.271 120.856 121.223 -0.160 0.000 2.013 91 L HA -0.193 4.146 4.340 -0.001 0.000 0.212 91 L C 2.435 179.199 176.870 -0.178 0.000 1.073 91 L CA 2.471 57.227 54.840 -0.140 0.000 0.753 91 L CB -0.993 41.007 42.059 -0.099 0.000 0.890 91 L HN 0.571 nan 8.230 nan 0.000 0.432 92 K N -1.256 119.014 120.400 -0.217 0.000 2.281 92 K HA -0.148 4.171 4.320 -0.001 0.000 0.203 92 K C 0.712 176.936 176.600 -0.626 0.000 1.046 92 K CA 1.136 57.198 56.287 -0.374 0.000 0.938 92 K CB -0.022 32.248 32.500 -0.383 0.000 0.737 92 K HN 0.243 nan 8.250 nan 0.000 0.458 93 F N 0.097 119.880 119.950 -0.278 0.000 2.908 93 F HA 0.282 4.809 4.527 -0.001 0.000 0.328 93 F C 0.944 176.568 175.800 -0.294 0.000 1.211 93 F CA -0.227 57.585 58.000 -0.314 0.000 1.291 93 F CB 0.998 39.710 39.000 -0.479 0.000 0.962 93 F HN 0.072 nan 8.300 nan 0.000 0.505 94 G N 1.180 109.908 108.800 -0.120 0.000 2.453 94 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.313 94 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.313 94 G C 0.134 174.977 174.900 -0.095 0.000 0.948 94 G CA 0.469 45.510 45.100 -0.098 0.000 0.846 94 G HN 0.256 nan 8.290 nan 0.000 0.512 95 V N -0.442 119.378 119.914 -0.156 0.000 2.539 95 V HA 0.391 4.510 4.120 -0.001 0.000 0.292 95 V C 0.734 176.785 176.094 -0.071 0.000 1.045 95 V CA -1.085 61.140 62.300 -0.126 0.000 0.945 95 V CB 1.578 33.253 31.823 -0.247 0.000 0.993 95 V HN 0.502 nan 8.190 nan 0.000 0.464 96 H N 7.625 126.650 119.070 -0.075 0.000 2.848 96 H HA 0.140 4.695 4.556 -0.001 0.000 0.341 96 H C -1.487 173.792 175.328 -0.083 0.000 1.060 96 H CA -0.881 55.122 56.048 -0.074 0.000 1.444 96 H CB 1.321 31.062 29.762 -0.035 0.000 1.446 96 H HN 0.379 nan 8.280 nan 0.000 0.583 97 P HA -0.237 nan 4.420 nan 0.000 0.215 97 P C 1.226 178.301 177.300 -0.374 0.000 1.157 97 P CA 1.622 64.281 63.100 -0.735 0.000 0.868 97 P CB 0.226 30.845 31.700 -1.802 0.000 0.788 98 K N 0.170 120.474 120.400 -0.160 0.000 2.020 98 K HA -0.199 4.121 4.320 -0.001 0.000 0.212 98 K C 1.724 178.546 176.600 0.370 0.000 1.050 98 K CA 2.213 58.742 56.287 0.404 0.000 0.929 98 K CB -0.552 32.296 32.500 0.579 0.000 0.714 98 K HN -0.058 nan 8.250 nan 0.000 0.443 99 D N -0.074 120.512 120.400 0.310 0.000 2.123 99 D HA -0.232 4.407 4.640 -0.001 0.000 0.196 99 D C 1.616 178.067 176.300 0.251 0.000 0.992 99 D CA 1.099 55.238 54.000 0.231 0.000 0.833 99 D CB -0.537 40.377 40.800 0.189 0.000 0.954 99 D HN 0.507 nan 8.370 nan 0.000 0.455 100 W N 1.400 122.692 121.300 -0.013 0.000 2.378 100 W HA -0.201 4.459 4.660 -0.001 0.000 0.313 100 W C 2.004 178.477 176.519 -0.077 0.000 1.197 100 W CA 1.294 58.599 57.345 -0.066 0.000 1.304 100 W CB -0.130 29.265 29.460 -0.109 0.000 1.148 100 W HN -0.084 nan 8.180 nan 0.000 0.494 101 T N 0.363 114.873 114.554 -0.074 0.000 2.674 101 T HA -0.277 4.073 4.350 -0.001 0.000 0.265 101 T C 1.257 175.771 174.700 -0.309 0.000 1.039 101 T CA 1.841 63.787 62.100 -0.258 0.000 1.150 101 T CB -0.830 67.993 68.868 -0.075 0.000 0.864 101 T HN 0.160 nan 8.240 nan 0.000 0.427 102 Y N 0.731 120.944 120.300 -0.145 0.000 2.680 102 Y HA 0.171 4.721 4.550 -0.000 0.000 0.303 102 Y C 2.174 177.938 175.900 -0.227 0.000 1.166 102 Y CA 0.265 58.260 58.100 -0.176 0.000 1.344 102 Y CB -0.230 38.189 38.460 -0.068 0.000 1.002 102 Y HN 0.235 nan 8.280 nan 0.000 0.537 103 A N -0.347 122.395 122.820 -0.131 0.000 1.909 103 A HA -0.044 4.276 4.320 -0.001 0.000 0.209 103 A C 1.858 179.221 177.584 -0.369 0.000 1.247 103 A CA 0.879 52.812 52.037 -0.173 0.000 0.660 103 A CB -0.551 18.426 19.000 -0.039 0.000 0.910 103 A HN 0.351 nan 8.150 nan 0.000 0.465 104 N N 0.129 118.461 118.700 -0.614 0.000 2.205 104 N HA -0.101 4.639 4.740 -0.001 0.000 0.186 104 N C 1.480 176.583 175.510 -0.678 0.000 1.015 104 N CA 1.369 53.980 53.050 -0.732 0.000 0.862 104 N CB -0.339 37.539 38.487 -1.015 0.000 0.986 104 N HN 0.550 nan 8.380 nan 0.000 0.429 105 I N 0.349 120.435 120.570 -0.806 0.000 2.045 105 I HA -0.347 3.823 4.170 -0.001 0.000 0.233 105 I C 2.491 178.155 176.117 -0.754 0.000 1.048 105 I CA 1.175 61.768 61.300 -1.177 0.000 1.313 105 I CB -0.377 36.888 38.000 -1.224 0.000 1.043 105 I HN 0.185 nan 8.210 nan 0.000 0.393 106 R N 0.659 120.875 120.500 -0.473 0.000 2.189 106 R HA -0.334 4.006 4.340 -0.001 0.000 0.252 106 R C 2.311 178.460 176.300 -0.252 0.000 1.134 106 R CA 2.528 58.455 56.100 -0.289 0.000 0.954 106 R CB -0.376 29.811 30.300 -0.189 0.000 0.890 106 R HN 0.464 nan 8.270 nan 0.000 0.443 107 Q N -0.758 118.886 119.800 -0.259 0.000 2.050 107 Q HA -0.153 4.187 4.340 -0.001 0.000 0.202 107 Q C 2.202 178.101 176.000 -0.169 0.000 0.980 107 Q CA 1.755 57.447 55.803 -0.186 0.000 0.840 107 Q CB -0.187 28.442 28.738 -0.181 0.000 0.898 107 Q HN 0.515 nan 8.270 nan 0.000 0.424 108 A N 1.750 124.418 122.820 -0.253 0.000 1.842 108 A HA -0.303 4.017 4.320 -0.001 0.000 0.217 108 A C 1.924 179.523 177.584 0.025 0.000 1.206 108 A CA 2.029 53.983 52.037 -0.138 0.000 0.630 108 A CB -0.634 18.227 19.000 -0.231 0.000 0.839 108 A HN 0.250 nan 8.150 nan 0.000 0.447 109 K N -0.754 119.679 120.400 0.054 0.000 2.077 109 K HA -0.268 4.051 4.320 -0.001 0.000 0.213 109 K C 2.164 178.762 176.600 -0.003 0.000 1.051 109 K CA 1.872 58.185 56.287 0.044 0.000 0.929 109 K CB -0.233 32.127 32.500 -0.233 0.000 0.715 109 K HN 0.706 nan 8.250 nan 0.000 0.451 110 E N 0.543 120.714 120.200 -0.049 0.000 2.106 110 E HA -0.132 4.217 4.350 -0.001 0.000 0.192 110 E C 1.892 178.508 176.600 0.027 0.000 0.984 110 E CA 0.971 57.358 56.400 -0.022 0.000 0.806 110 E CB 0.181 29.856 29.700 -0.043 0.000 0.750 110 E HN 0.181 nan 8.360 nan 0.000 0.458 111 S N 1.173 116.886 115.700 0.022 0.000 2.363 111 S HA -0.166 4.303 4.470 -0.001 0.000 0.218 111 S C 2.077 176.725 174.600 0.080 0.000 1.035 111 S CA 1.233 59.459 58.200 0.043 0.000 1.043 111 S CB -0.508 62.699 63.200 0.012 0.000 0.986 111 S HN 0.264 nan 8.310 nan 0.000 0.423 112 L N 1.230 122.508 121.223 0.092 0.000 1.991 112 L HA -0.292 4.048 4.340 -0.001 0.000 0.221 112 L C 2.742 179.740 176.870 0.212 0.000 1.079 112 L CA 2.108 57.045 54.840 0.162 0.000 0.778 112 L CB -0.756 41.483 42.059 0.300 0.000 0.893 112 L HN 0.339 nan 8.230 nan 0.000 0.437 113 R N 0.492 121.131 120.500 0.231 0.000 2.112 113 R HA -0.228 4.112 4.340 -0.001 0.000 0.242 113 R C 2.419 178.849 176.300 0.217 0.000 1.137 113 R CA 1.835 58.076 56.100 0.236 0.000 0.944 113 R CB -0.441 29.955 30.300 0.160 0.000 0.857 113 R HN 0.293 nan 8.270 nan 0.000 0.435 114 L N 0.136 121.453 121.223 0.157 0.000 2.043 114 L HA -0.257 4.082 4.340 -0.001 0.000 0.212 114 L C 2.648 179.615 176.870 0.162 0.000 1.075 114 L CA 1.415 56.338 54.840 0.138 0.000 0.752 114 L CB -0.263 41.859 42.059 0.105 0.000 0.891 114 L HN 0.418 nan 8.230 nan 0.000 0.432 115 M N -1.189 118.514 119.600 0.172 0.000 2.358 115 M HA -0.101 4.378 4.480 -0.001 0.000 0.264 115 M C 1.601 178.080 176.300 0.299 0.000 1.064 115 M CA 1.507 56.922 55.300 0.191 0.000 1.093 115 M CB -0.846 31.842 32.600 0.146 0.000 1.401 115 M HN 0.550 nan 8.290 nan 0.000 0.440 116 G N 0.565 109.585 108.800 0.367 0.000 2.184 116 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.206 116 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.206 116 G C 0.230 175.257 174.900 0.211 0.000 0.995 116 G CA -0.366 45.050 45.100 0.528 0.000 0.651 116 G HN 0.420 nan 8.290 nan 0.000 0.511 117 I N 0.766 121.415 120.570 0.132 0.000 2.692 117 I HA 0.357 4.527 4.170 -0.001 0.000 0.284 117 I C 0.381 176.483 176.117 -0.026 0.000 1.159 117 I CA -0.050 61.229 61.300 -0.035 0.000 1.423 117 I CB 0.778 38.755 38.000 -0.038 0.000 1.380 117 I HN 0.026 nan 8.210 nan 0.000 0.580 118 L N 7.132 128.223 121.223 -0.219 0.000 2.381 118 L HA 0.515 4.855 4.340 -0.001 0.000 0.268 118 L C -0.906 175.725 176.870 -0.397 0.000 0.997 118 L CA -0.234 54.538 54.840 -0.114 0.000 0.818 118 L CB 1.587 43.643 42.059 -0.004 0.000 1.310 118 L HN 0.324 nan 8.230 nan 0.000 0.416 119 Y N -0.776 119.471 120.300 -0.088 0.000 2.705 119 Y HA 0.366 4.916 4.550 -0.001 0.000 0.332 119 Y C -0.518 175.120 175.900 -0.436 0.000 1.157 119 Y CA -1.314 56.510 58.100 -0.461 0.000 1.091 119 Y CB 1.179 38.946 38.460 -1.156 0.000 1.301 119 Y HN 0.514 nan 8.280 nan 0.000 0.488 120 D N -0.068 120.155 120.400 -0.295 0.000 2.479 120 D HA 0.151 4.791 4.640 -0.001 0.000 0.218 120 D C -0.367 175.783 176.300 -0.250 0.000 1.131 120 D CA -0.110 53.765 54.000 -0.208 0.000 0.916 120 D CB 0.186 40.862 40.800 -0.207 0.000 1.022 120 D HN 0.461 nan 8.370 nan 0.000 0.515 121 W N 1.811 123.124 121.300 0.023 0.000 2.800 121 W HA 0.027 4.686 4.660 -0.000 0.000 0.249 121 W C 1.516 178.057 176.519 0.037 0.000 1.294 121 W CA -0.352 57.007 57.345 0.024 0.000 1.402 121 W CB 0.364 29.866 29.460 0.069 0.000 1.126 121 W HN 0.412 nan 8.180 nan 0.000 0.652 122 D N 0.071 120.602 120.400 0.218 0.000 2.392 122 D HA -0.071 4.569 4.640 -0.001 0.000 0.228 122 D C 1.440 177.824 176.300 0.141 0.000 1.003 122 D CA 0.933 55.050 54.000 0.194 0.000 0.917 122 D CB 0.044 40.934 40.800 0.149 0.000 0.890 122 D HN 0.310 nan 8.370 nan 0.000 0.532 123 R N 0.267 120.783 120.500 0.026 0.000 2.437 123 R HA 0.108 4.448 4.340 -0.001 0.000 0.257 123 R C 0.521 176.850 176.300 0.049 0.000 0.927 123 R CA -0.314 55.760 56.100 -0.043 0.000 1.078 123 R CB 0.874 31.068 30.300 -0.178 0.000 1.161 123 R HN 0.123 nan 8.270 nan 0.000 0.529 124 E N 1.521 121.792 120.200 0.118 0.000 2.568 124 E HA -0.055 4.294 4.350 -0.001 0.000 0.262 124 E C -0.989 175.687 176.600 0.128 0.000 0.961 124 E CA 0.573 57.065 56.400 0.153 0.000 0.945 124 E CB 0.682 30.601 29.700 0.366 0.000 0.924 124 E HN -0.153 nan 8.360 nan 0.000 0.467 125 V N 4.396 124.324 119.914 0.022 0.000 2.488 125 V HA 0.160 4.279 4.120 -0.001 0.000 0.293 125 V C -0.607 175.368 176.094 -0.199 0.000 1.027 125 V CA -0.736 61.515 62.300 -0.082 0.000 0.862 125 V CB 2.052 33.765 31.823 -0.183 0.000 1.008 125 V HN 0.710 nan 8.190 nan 0.000 0.428 126 T N 1.530 115.990 114.554 -0.156 0.000 2.929 126 T HA 0.136 4.486 4.350 -0.001 0.000 0.331 126 T C 1.480 175.925 174.700 -0.424 0.000 1.120 126 T CA 0.276 62.252 62.100 -0.208 0.000 0.973 126 T CB 0.975 69.743 68.868 -0.167 0.000 1.036 126 T HN 0.909 nan 8.240 nan 0.000 0.502 127 T N -0.491 113.691 114.554 -0.620 0.000 2.721 127 T HA -0.274 4.075 4.350 -0.001 0.000 0.268 127 T C 2.403 176.757 174.700 -0.577 0.000 1.038 127 T CA 1.887 63.488 62.100 -0.832 0.000 1.145 127 T CB -1.103 67.412 68.868 -0.589 0.000 0.858 127 T HN 0.845 nan 8.240 nan 0.000 0.459 128 C N 1.313 120.218 119.300 -0.659 0.000 2.419 128 C HA 0.205 4.665 4.460 -0.001 0.000 0.283 128 C C 1.279 175.707 174.990 -0.937 0.000 1.373 128 C CA -0.955 57.273 59.018 -1.317 0.000 1.781 128 C CB -1.669 25.634 27.740 -0.729 0.000 1.886 128 C HN 0.611 nan 8.230 nan 0.000 0.520 129 E N 2.179 122.064 120.200 -0.526 0.000 2.436 129 E HA 0.071 4.421 4.350 -0.001 0.000 0.262 129 E C -1.418 174.597 176.600 -0.975 0.000 1.063 129 E CA -0.759 55.381 56.400 -0.434 0.000 0.944 129 E CB 0.508 30.093 29.700 -0.191 0.000 0.950 129 E HN 0.295 nan 8.360 nan 0.000 0.444 130 P HA -0.132 nan 4.420 nan 0.000 0.216 130 P C 0.720 177.614 177.300 -0.677 0.000 1.153 130 P CA 0.907 63.204 63.100 -1.338 0.000 0.844 130 P CB 0.277 31.698 31.700 -0.465 0.000 0.787 131 E N -1.533 118.474 120.200 -0.323 0.000 2.164 131 E HA -0.243 4.107 4.350 -0.001 0.000 0.206 131 E C 1.845 178.451 176.600 0.011 0.000 1.032 131 E CA 1.563 57.906 56.400 -0.096 0.000 0.832 131 E CB -0.995 28.718 29.700 0.022 0.000 0.742 131 E HN 0.392 nan 8.360 nan 0.000 0.460 132 Y N -0.648 119.562 120.300 -0.150 0.000 2.226 132 Y HA -0.100 4.450 4.550 -0.001 0.000 0.281 132 Y C 2.178 178.148 175.900 0.116 0.000 1.107 132 Y CA 1.291 59.447 58.100 0.093 0.000 1.109 132 Y CB -0.881 37.587 38.460 0.014 0.000 1.047 132 Y HN 0.199 nan 8.280 nan 0.000 0.494 133 Y N 1.631 122.071 120.300 0.234 0.000 2.516 133 Y HA -0.266 4.283 4.550 -0.001 0.000 0.284 133 Y C 2.250 178.118 175.900 -0.055 0.000 1.166 133 Y CA 0.970 59.138 58.100 0.113 0.000 1.350 133 Y CB -1.009 37.500 38.460 0.082 0.000 0.967 133 Y HN 0.215 nan 8.280 nan 0.000 0.568 134 R N 0.334 120.855 120.500 0.035 0.000 2.103 134 R HA -0.229 4.111 4.340 -0.001 0.000 0.242 134 R C 1.380 177.542 176.300 -0.229 0.000 1.142 134 R CA 2.213 58.182 56.100 -0.219 0.000 0.960 134 R CB -1.225 28.690 30.300 -0.641 0.000 0.858 134 R HN 0.576 nan 8.270 nan 0.000 0.439 135 W N 1.117 122.478 121.300 0.103 0.000 2.441 135 W HA 0.153 4.812 4.660 -0.001 0.000 0.302 135 W C 2.056 178.667 176.519 0.153 0.000 1.191 135 W CA 0.414 57.809 57.345 0.083 0.000 1.327 135 W CB -0.517 28.899 29.460 -0.075 0.000 1.128 135 W HN 0.115 nan 8.180 nan 0.000 0.522 136 N N 0.534 119.464 118.700 0.385 0.000 2.242 136 N HA -0.289 4.451 4.740 -0.001 0.000 0.193 136 N C 1.467 177.041 175.510 0.106 0.000 1.000 136 N CA 1.788 55.036 53.050 0.329 0.000 0.885 136 N CB -0.257 38.337 38.487 0.178 0.000 0.988 136 N HN 0.501 nan 8.380 nan 0.000 0.444 137 Q N -0.984 118.895 119.800 0.131 0.000 2.287 137 Q HA -0.057 4.283 4.340 -0.001 0.000 0.201 137 Q C 1.673 177.808 176.000 0.224 0.000 0.946 137 Q CA 0.330 56.174 55.803 0.068 0.000 0.868 137 Q CB -0.183 28.531 28.738 -0.039 0.000 0.967 137 Q HN 0.394 nan 8.270 nan 0.000 0.516 138 W N 1.819 123.178 121.300 0.099 0.000 2.290 138 W HA -0.304 4.356 4.660 -0.001 0.000 0.318 138 W C 1.520 178.151 176.519 0.186 0.000 1.248 138 W CA 1.843 59.284 57.345 0.160 0.000 1.263 138 W CB -0.234 29.416 29.460 0.317 0.000 1.147 138 W HN 0.078 nan 8.180 nan 0.000 0.494 139 I N -0.693 120.189 120.570 0.521 0.000 2.076 139 I HA -0.358 3.811 4.170 -0.001 0.000 0.237 139 I C 2.392 178.623 176.117 0.190 0.000 1.059 139 I CA 1.923 63.441 61.300 0.364 0.000 1.317 139 I CB -1.063 37.232 38.000 0.491 0.000 1.037 139 I HN -0.020 nan 8.210 nan 0.000 0.398 140 F N 1.340 121.389 119.950 0.166 0.000 2.111 140 F HA -0.320 4.206 4.527 -0.001 0.000 0.300 140 F C 2.206 177.983 175.800 -0.037 0.000 1.088 140 F CA 1.823 59.845 58.000 0.037 0.000 1.243 140 F CB -0.299 38.650 39.000 -0.086 0.000 0.996 140 F HN -0.059 nan 8.300 nan 0.000 0.483 141 L N -0.329 121.000 121.223 0.177 0.000 1.973 141 L HA -0.240 4.100 4.340 -0.001 0.000 0.208 141 L C 2.568 179.438 176.870 -0.000 0.000 1.073 141 L CA 1.385 56.282 54.840 0.094 0.000 0.746 141 L CB -0.948 41.093 42.059 -0.029 0.000 0.891 141 L HN -0.055 nan 8.230 nan 0.000 0.433 142 K N 0.006 120.284 120.400 -0.203 0.000 2.189 142 K HA -0.209 4.110 4.320 -0.001 0.000 0.207 142 K C 1.964 178.614 176.600 0.082 0.000 1.046 142 K CA 1.653 57.843 56.287 -0.161 0.000 0.928 142 K CB -0.385 31.876 32.500 -0.398 0.000 0.720 142 K HN 0.418 nan 8.250 nan 0.000 0.458 143 M N -1.105 118.455 119.600 -0.066 0.000 2.200 143 M HA -0.133 4.347 4.480 -0.001 0.000 0.265 143 M C 2.128 178.312 176.300 -0.192 0.000 1.066 143 M CA 1.094 56.183 55.300 -0.351 0.000 1.127 143 M CB -0.420 31.751 32.600 -0.714 0.000 1.379 143 M HN 0.329 nan 8.290 nan 0.000 0.420 144 W N 2.344 123.481 121.300 -0.273 0.000 2.355 144 W HA -0.178 4.482 4.660 -0.000 0.000 0.309 144 W C 1.244 177.748 176.519 -0.025 0.000 1.206 144 W CA 1.547 58.818 57.345 -0.122 0.000 1.284 144 W CB -0.395 29.052 29.460 -0.021 0.000 1.145 144 W HN 0.272 nan 8.180 nan 0.000 0.502 145 E N 0.281 120.454 120.200 -0.045 0.000 2.338 145 E HA -0.184 4.166 4.350 -0.001 0.000 0.197 145 E C 1.607 178.110 176.600 -0.163 0.000 1.007 145 E CA 0.750 57.074 56.400 -0.127 0.000 0.849 145 E CB -0.176 29.560 29.700 0.060 0.000 0.774 145 E HN 0.113 nan 8.360 nan 0.000 0.506 146 K N -0.422 119.914 120.400 -0.105 0.000 2.437 146 K HA 0.078 4.397 4.320 -0.001 0.000 0.205 146 K C 0.618 177.167 176.600 -0.084 0.000 1.026 146 K CA 0.459 56.719 56.287 -0.045 0.000 1.153 146 K CB 0.341 32.901 32.500 0.100 0.000 0.863 146 K HN 0.187 nan 8.250 nan 0.000 0.502 147 G N 0.709 109.379 108.800 -0.217 0.000 2.184 147 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.264 147 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.264 147 G C 0.536 175.398 174.900 -0.063 0.000 0.975 147 G CA 0.463 45.443 45.100 -0.201 0.000 0.642 147 G HN 0.369 nan 8.290 nan 0.000 0.536 148 L N 0.060 121.246 121.223 -0.063 0.000 2.554 148 L HA 0.553 4.892 4.340 -0.001 0.000 0.225 148 L C 1.550 178.363 176.870 -0.095 0.000 1.104 148 L CA 0.675 55.503 54.840 -0.019 0.000 0.866 148 L CB 0.267 42.297 42.059 -0.049 0.000 1.047 148 L HN 0.457 nan 8.230 nan 0.000 0.468 149 A N 0.052 122.809 122.820 -0.105 0.000 2.304 149 A HA 0.640 4.960 4.320 -0.001 0.000 0.323 149 A C -1.162 176.682 177.584 0.434 0.000 1.195 149 A CA -0.258 51.724 52.037 -0.091 0.000 0.826 149 A CB 0.478 19.126 19.000 -0.587 0.000 1.184 149 A HN 0.249 nan 8.150 nan 0.000 0.496 150 Y N -0.406 120.230 120.300 0.559 0.000 2.689 150 Y HA 0.767 5.317 4.550 -0.001 0.000 0.333 150 Y C -0.663 175.328 175.900 0.152 0.000 1.208 150 Y CA -1.469 56.900 58.100 0.448 0.000 1.055 150 Y CB 0.725 39.281 38.460 0.160 0.000 1.304 150 Y HN 0.658 nan 8.280 nan 0.000 0.455 151 R N 1.348 121.874 120.500 0.043 0.000 2.674 151 R HA 0.975 5.315 4.340 -0.001 0.000 0.266 151 R C -1.232 175.152 176.300 0.139 0.000 1.016 151 R CA -0.816 55.195 56.100 -0.148 0.000 1.062 151 R CB 1.861 31.819 30.300 -0.569 0.000 1.142 151 R HN 1.083 nan 8.270 nan 0.000 0.517 152 A N 0.891 123.770 122.820 0.099 0.000 2.581 152 A HA 0.263 4.583 4.320 -0.001 0.000 0.294 152 A C -0.866 176.760 177.584 0.070 0.000 1.035 152 A CA -0.909 51.141 52.037 0.022 0.000 0.684 152 A CB 0.926 19.872 19.000 -0.091 0.000 1.282 152 A HN 0.658 nan 8.150 nan 0.000 0.417 153 K N 0.554 120.975 120.400 0.035 0.000 2.867 153 K HA 0.537 4.857 4.320 -0.001 0.000 0.318 153 K C 1.005 177.675 176.600 0.117 0.000 1.081 153 K CA 0.614 56.945 56.287 0.074 0.000 1.275 153 K CB -0.287 32.244 32.500 0.051 0.000 1.472 153 K HN 2.321 nan 8.250 nan 0.000 0.514 154 G N 0.014 108.885 108.800 0.120 0.000 2.757 154 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.638 154 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.638 154 G C -0.960 174.048 174.900 0.180 0.000 1.344 154 G CA -0.855 44.335 45.100 0.151 0.000 0.855 154 G HN 0.304 nan 8.290 nan 0.000 0.537 155 L N 1.172 122.508 121.223 0.189 0.000 2.268 155 L HA 0.470 4.809 4.340 -0.001 0.000 0.289 155 L C 1.298 178.294 176.870 0.210 0.000 1.064 155 L CA -0.827 54.126 54.840 0.188 0.000 0.824 155 L CB 0.718 42.887 42.059 0.184 0.000 1.202 155 L HN 0.798 nan 8.230 nan 0.000 0.433 156 V N 0.976 121.023 119.914 0.223 0.000 3.036 156 V HA 0.421 4.541 4.120 -0.001 0.000 0.308 156 V C 0.123 176.359 176.094 0.237 0.000 1.070 156 V CA -0.877 61.562 62.300 0.231 0.000 1.056 156 V CB 1.360 33.323 31.823 0.234 0.000 1.084 156 V HN 0.667 nan 8.190 nan 0.000 0.471 157 N N 1.843 120.677 118.700 0.224 0.000 2.509 157 N HA 0.393 5.133 4.740 -0.001 0.000 0.287 157 N C -1.045 174.643 175.510 0.296 0.000 1.121 157 N CA -0.426 52.764 53.050 0.234 0.000 0.977 157 N CB 1.039 39.636 38.487 0.184 0.000 1.167 157 N HN 0.927 nan 8.380 nan 0.000 0.476 158 W N 2.434 123.799 121.300 0.109 0.000 2.683 158 W HA 0.461 5.121 4.660 -0.001 0.000 0.329 158 W C -1.219 175.367 176.519 0.111 0.000 1.037 158 W CA -0.977 56.430 57.345 0.103 0.000 1.232 158 W CB 1.492 31.002 29.460 0.084 0.000 1.390 158 W HN 0.401 nan 8.180 nan 0.000 0.465 159 C N 10.271 129.323 119.300 -0.413 0.000 2.239 159 C HA 0.347 4.807 4.460 -0.001 0.000 0.323 159 C C -0.554 174.293 174.990 -0.238 0.000 1.205 159 C CA -2.253 56.662 59.018 -0.170 0.000 1.584 159 C CB 0.280 27.974 27.740 -0.076 0.000 2.201 159 C HN 0.517 nan 8.230 nan 0.000 0.475 160 P HA -0.120 nan 4.420 nan 0.000 0.219 160 P C 1.496 178.835 177.300 0.065 0.000 1.150 160 P CA 1.391 64.636 63.100 0.241 0.000 0.814 160 P CB 0.086 31.936 31.700 0.251 0.000 0.787 161 K N -0.339 120.040 120.400 -0.035 0.000 2.032 161 K HA -0.121 4.199 4.320 -0.001 0.000 0.209 161 K C 1.963 178.495 176.600 -0.113 0.000 1.048 161 K CA 1.796 57.988 56.287 -0.157 0.000 0.927 161 K CB -0.626 31.605 32.500 -0.448 0.000 0.712 161 K HN 0.179 nan 8.250 nan 0.000 0.441 162 C N 0.642 119.899 119.300 -0.071 0.000 2.539 162 C HA 0.096 4.556 4.460 -0.001 0.000 0.268 162 C C 0.522 175.454 174.990 -0.098 0.000 1.395 162 C CA -0.349 58.650 59.018 -0.032 0.000 1.757 162 C CB -0.367 27.396 27.740 0.038 0.000 1.851 162 C HN 0.494 nan 8.230 nan 0.000 0.545 163 Q N 0.899 120.623 119.800 -0.127 0.000 2.435 163 Q HA -0.195 4.144 4.340 -0.001 0.000 0.312 163 Q C 0.091 175.870 176.000 -0.368 0.000 1.333 163 Q CA 1.678 57.461 55.803 -0.034 0.000 0.883 163 Q CB -1.516 27.315 28.738 0.154 0.000 1.170 163 Q HN 0.770 nan 8.270 nan 0.000 0.443 164 T N -2.969 110.946 114.554 -1.064 0.000 2.665 164 T HA 0.667 5.017 4.350 -0.001 0.000 0.303 164 T C -1.003 173.029 174.700 -1.113 0.000 1.334 164 T CA -0.062 61.459 62.100 -0.964 0.000 1.011 164 T CB 1.532 70.204 68.868 -0.325 0.000 1.573 164 T HN 0.371 nan 8.240 nan 0.000 0.492 165 V N 0.648 120.293 119.914 -0.449 0.000 2.966 165 V HA 0.927 5.047 4.120 -0.001 0.000 0.317 165 V C -0.954 175.102 176.094 -0.063 0.000 1.070 165 V CA -0.694 61.510 62.300 -0.160 0.000 1.008 165 V CB 1.073 32.931 31.823 0.058 0.000 1.070 165 V HN 0.865 nan 8.190 nan 0.000 0.457 166 L N 1.615 122.847 121.223 0.016 0.000 2.350 166 L HA 0.897 5.237 4.340 -0.001 0.000 0.260 166 L C 0.388 177.317 176.870 0.098 0.000 1.015 166 L CA -0.713 54.159 54.840 0.052 0.000 0.821 166 L CB 1.884 43.978 42.059 0.058 0.000 1.370 166 L HN 0.993 nan 8.230 nan 0.000 0.416 167 A N 0.489 123.394 122.820 0.140 0.000 2.296 167 A HA 0.311 4.631 4.320 -0.001 0.000 0.264 167 A C 0.568 178.270 177.584 0.198 0.000 1.097 167 A CA -0.222 51.948 52.037 0.221 0.000 0.811 167 A CB 0.044 19.291 19.000 0.412 0.000 1.072 167 A HN 0.899 nan 8.150 nan 0.000 0.495 168 N N 0.103 118.955 118.700 0.253 0.000 2.223 168 N HA -0.114 4.626 4.740 -0.001 0.000 0.185 168 N C 0.837 176.503 175.510 0.259 0.000 1.016 168 N CA 1.777 54.993 53.050 0.278 0.000 0.863 168 N CB -0.146 38.545 38.487 0.339 0.000 0.983 168 N HN 0.752 nan 8.380 nan 0.000 0.429 169 E N 0.175 120.447 120.200 0.121 0.000 2.482 169 E HA -0.012 4.337 4.350 -0.001 0.000 0.196 169 E C 1.003 177.490 176.600 -0.189 0.000 1.047 169 E CA 0.421 56.680 56.400 -0.236 0.000 0.869 169 E CB 0.081 29.438 29.700 -0.571 0.000 0.836 169 E HN 0.459 nan 8.360 nan 0.000 0.520 170 Q N -0.275 119.485 119.800 -0.066 0.000 2.319 170 Q HA 0.123 4.462 4.340 -0.001 0.000 0.202 170 Q C -0.420 175.638 176.000 0.095 0.000 0.896 170 Q CA 0.006 55.756 55.803 -0.088 0.000 0.942 170 Q CB 1.075 29.610 28.738 -0.338 0.000 1.083 170 Q HN 0.039 nan 8.270 nan 0.000 0.510 171 V N 2.085 122.069 119.914 0.116 0.000 2.218 171 V HA 0.183 4.303 4.120 -0.001 0.000 0.261 171 V C -0.216 175.968 176.094 0.150 0.000 1.142 171 V CA -0.425 61.970 62.300 0.158 0.000 0.965 171 V CB 0.540 32.463 31.823 0.167 0.000 1.190 171 V HN -0.076 nan 8.190 nan 0.000 0.478 172 V N 2.868 122.871 119.914 0.149 0.000 2.539 172 V HA 0.438 4.557 4.120 -0.001 0.000 0.292 172 V C 1.148 177.313 176.094 0.119 0.000 1.045 172 V CA -0.416 61.957 62.300 0.123 0.000 0.945 172 V CB 1.070 32.962 31.823 0.114 0.000 0.993 172 V HN 0.902 nan 8.190 nan 0.000 0.464 173 E N 2.068 122.331 120.200 0.105 0.000 3.904 173 E HA -0.313 4.037 4.350 -0.001 0.000 0.316 173 E C 1.171 177.832 176.600 0.103 0.000 0.643 173 E CA 1.253 57.710 56.400 0.095 0.000 1.129 173 E CB -1.087 28.663 29.700 0.084 0.000 1.635 173 E HN 1.640 nan 8.360 nan 0.000 0.424 174 G N 0.329 109.200 108.800 0.118 0.000 2.145 174 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.176 174 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.176 174 G C -0.207 174.769 174.900 0.127 0.000 1.013 174 G CA 0.138 45.311 45.100 0.121 0.000 0.689 174 G HN 0.158 nan 8.290 nan 0.000 0.506 175 R N -1.247 119.337 120.500 0.139 0.000 2.604 175 R HA 0.524 4.864 4.340 -0.001 0.000 0.270 175 R C 0.412 176.824 176.300 0.187 0.000 1.052 175 R CA -0.370 55.819 56.100 0.149 0.000 0.902 175 R CB 1.367 31.744 30.300 0.129 0.000 1.233 175 R HN 0.537 nan 8.270 nan 0.000 0.455 176 C N 4.183 123.612 119.300 0.216 0.000 2.354 176 C HA -0.069 4.390 4.460 -0.001 0.000 0.388 176 C C 2.000 177.172 174.990 0.303 0.000 1.441 176 C CA -0.014 59.180 59.018 0.295 0.000 1.562 176 C CB -0.230 27.714 27.740 0.339 0.000 2.552 176 C HN 1.013 nan 8.230 nan 0.000 0.583 177 W N 5.509 126.838 121.300 0.049 0.000 2.381 177 W HA 0.002 4.661 4.660 -0.001 0.000 0.301 177 W C 1.687 178.176 176.519 -0.050 0.000 1.205 177 W CA 1.337 58.700 57.345 0.031 0.000 1.285 177 W CB -1.099 28.420 29.460 0.098 0.000 1.133 177 W HN 0.646 nan 8.180 nan 0.000 0.521 178 R N 0.224 120.353 120.500 -0.618 0.000 2.334 178 R HA 0.059 4.398 4.340 -0.001 0.000 0.216 178 R C -0.434 175.447 176.300 -0.698 0.000 0.905 178 R CA 0.281 55.860 56.100 -0.868 0.000 1.064 178 R CB -0.483 29.019 30.300 -1.329 0.000 1.046 178 R HN 0.399 nan 8.270 nan 0.000 0.508 179 H N -0.241 118.788 119.070 -0.068 0.000 2.675 179 H HA 0.182 4.737 4.556 -0.001 0.000 0.258 179 H C -0.618 174.724 175.328 0.024 0.000 1.271 179 H CA -0.413 55.623 56.048 -0.020 0.000 1.462 179 H CB 1.089 30.848 29.762 -0.005 0.000 1.467 179 H HN -0.210 nan 8.280 nan 0.000 0.501 180 E N 2.161 122.414 120.200 0.088 0.000 2.676 180 E HA 0.016 4.365 4.350 -0.001 0.000 0.318 180 E C 0.015 176.663 176.600 0.080 0.000 1.514 180 E CA 0.280 56.727 56.400 0.078 0.000 1.667 180 E CB -0.201 29.528 29.700 0.049 0.000 1.336 180 E HN 0.897 nan 8.360 nan 0.000 0.492 181 D N -3.119 117.340 120.400 0.099 0.000 1.810 181 D HA -0.042 4.598 4.640 -0.001 0.000 0.468 181 D C -0.280 176.070 176.300 0.084 0.000 1.071 181 D CA -0.255 53.792 54.000 0.078 0.000 1.103 181 D CB 0.052 40.889 40.800 0.061 0.000 1.846 181 D HN 0.000 nan 8.370 nan 0.000 0.522 182 T N 3.679 118.295 114.554 0.103 0.000 2.752 182 T HA 0.389 4.738 4.350 -0.001 0.000 0.295 182 T C -2.469 172.303 174.700 0.120 0.000 0.923 182 T CA -0.733 61.422 62.100 0.093 0.000 1.112 182 T CB 1.341 70.249 68.868 0.068 0.000 0.884 182 T HN 0.155 nan 8.240 nan 0.000 0.525 183 P HA 0.389 nan 4.420 nan 0.000 0.278 183 P C -0.785 176.599 177.300 0.139 0.000 1.258 183 P CA -0.561 62.610 63.100 0.119 0.000 0.811 183 P CB 0.905 32.666 31.700 0.102 0.000 1.063 184 V N 1.749 121.753 119.914 0.150 0.000 2.483 184 V HA 0.261 4.380 4.120 -0.001 0.000 0.295 184 V C 0.601 176.803 176.094 0.180 0.000 1.035 184 V CA -0.398 62.007 62.300 0.174 0.000 0.896 184 V CB 1.148 33.074 31.823 0.172 0.000 0.986 184 V HN 0.546 nan 8.190 nan 0.000 0.447 185 E N 2.785 123.121 120.200 0.226 0.000 2.239 185 E HA 0.566 4.915 4.350 -0.001 0.000 0.261 185 E C -1.083 175.655 176.600 0.230 0.000 1.016 185 E CA -0.998 55.524 56.400 0.203 0.000 0.882 185 E CB 1.768 31.581 29.700 0.189 0.000 1.190 185 E HN 0.499 nan 8.360 nan 0.000 0.415 186 K N 1.096 121.600 120.400 0.173 0.000 2.164 186 K HA 0.557 4.877 4.320 -0.001 0.000 0.258 186 K C -0.563 176.123 176.600 0.143 0.000 0.951 186 K CA -0.560 55.831 56.287 0.173 0.000 0.844 186 K CB 1.529 34.114 32.500 0.142 0.000 1.099 186 K HN 0.230 nan 8.250 nan 0.000 0.435 187 R N 0.887 121.485 120.500 0.164 0.000 2.698 187 R HA 0.143 4.482 4.340 -0.001 0.000 0.275 187 R C -1.432 174.940 176.300 0.119 0.000 1.001 187 R CA -0.830 55.330 56.100 0.101 0.000 0.896 187 R CB 1.938 32.269 30.300 0.053 0.000 1.218 187 R HN 0.562 nan 8.270 nan 0.000 0.462 188 E N 2.793 123.039 120.200 0.076 0.000 2.052 188 E HA 0.327 4.677 4.350 -0.001 0.000 0.283 188 E C -1.273 175.380 176.600 0.088 0.000 1.071 188 E CA -0.061 56.391 56.400 0.087 0.000 0.851 188 E CB 0.404 30.139 29.700 0.058 0.000 1.066 188 E HN 0.342 nan 8.360 nan 0.000 0.396 189 L N 4.107 125.405 121.223 0.126 0.000 2.505 189 L HA 0.267 4.607 4.340 -0.001 0.000 0.266 189 L C -0.695 176.262 176.870 0.145 0.000 0.954 189 L CA -0.709 54.207 54.840 0.127 0.000 0.852 189 L CB 2.065 44.222 42.059 0.162 0.000 1.282 189 L HN 0.572 nan 8.230 nan 0.000 0.403 190 E N 4.294 124.553 120.200 0.097 0.000 2.383 190 E HA 0.109 4.458 4.350 -0.001 0.000 0.257 190 E C -0.998 175.658 176.600 0.093 0.000 1.079 190 E CA 0.200 56.649 56.400 0.081 0.000 0.934 190 E CB 0.529 30.237 29.700 0.014 0.000 0.978 190 E HN 0.326 nan 8.360 nan 0.000 0.462 191 Q N 3.255 123.156 119.800 0.169 0.000 2.553 191 Q HA 0.250 4.589 4.340 -0.001 0.000 0.293 191 Q C -1.343 174.753 176.000 0.160 0.000 1.038 191 Q CA -0.708 55.179 55.803 0.140 0.000 0.777 191 Q CB 0.946 29.746 28.738 0.102 0.000 1.487 191 Q HN 0.558 nan 8.270 nan 0.000 0.426 192 W N 0.941 122.307 121.300 0.110 0.000 2.315 192 W HA 0.414 5.073 4.660 -0.001 0.000 0.316 192 W C -0.483 175.992 176.519 -0.074 0.000 1.211 192 W CA 0.098 57.534 57.345 0.150 0.000 1.201 192 W CB 0.582 30.128 29.460 0.144 0.000 1.184 192 W HN 0.399 nan 8.180 nan 0.000 0.544 193 Y N 2.165 122.517 120.300 0.087 0.000 2.570 193 Y HA 0.593 5.142 4.550 -0.001 0.000 0.345 193 Y C -0.159 175.502 175.900 -0.398 0.000 1.014 193 Y CA -1.558 56.408 58.100 -0.223 0.000 1.063 193 Y CB 1.190 39.404 38.460 -0.409 0.000 1.272 193 Y HN -0.023 nan 8.280 nan 0.000 0.477 194 L N 2.221 123.325 121.223 -0.197 0.000 2.325 194 L HA 0.519 4.859 4.340 -0.001 0.000 0.281 194 L C 0.173 176.932 176.870 -0.184 0.000 1.004 194 L CA -0.815 53.874 54.840 -0.251 0.000 0.823 194 L CB 1.712 43.608 42.059 -0.271 0.000 1.236 194 L HN 0.558 nan 8.230 nan 0.000 0.415 195 R N 3.072 123.484 120.500 -0.146 0.000 2.853 195 R HA 0.117 4.456 4.340 -0.001 0.000 0.238 195 R C 0.846 177.092 176.300 -0.089 0.000 1.538 195 R CA 0.057 56.170 56.100 0.021 0.000 1.166 195 R CB 0.011 30.439 30.300 0.213 0.000 1.201 195 R HN 0.728 nan 8.270 nan 0.000 0.606 196 I N 1.657 122.091 120.570 -0.226 0.000 3.226 196 I HA -0.152 4.017 4.170 -0.001 0.000 0.277 196 I C 1.818 177.853 176.117 -0.137 0.000 1.243 196 I CA 0.840 61.828 61.300 -0.521 0.000 1.459 196 I CB 0.307 37.959 38.000 -0.579 0.000 1.093 196 I HN 0.588 nan 8.210 nan 0.000 0.453 197 T N -1.228 113.321 114.554 -0.009 0.000 3.007 197 T HA -0.022 4.328 4.350 -0.001 0.000 0.270 197 T C 1.787 176.537 174.700 0.083 0.000 1.107 197 T CA 0.790 62.914 62.100 0.040 0.000 1.118 197 T CB -0.415 68.502 68.868 0.081 0.000 0.889 197 T HN 0.312 nan 8.240 nan 0.000 0.506 198 A N -0.001 122.906 122.820 0.145 0.000 2.216 198 A HA 0.146 4.466 4.320 -0.001 0.000 0.214 198 A C 1.293 178.925 177.584 0.080 0.000 1.160 198 A CA 0.499 52.620 52.037 0.140 0.000 0.725 198 A CB -0.736 18.377 19.000 0.189 0.000 0.784 198 A HN 0.652 nan 8.150 nan 0.000 0.472 199 Y N -1.802 118.499 120.300 0.002 0.000 2.612 199 Y HA 0.436 4.985 4.550 -0.001 0.000 0.250 199 Y C 2.136 177.971 175.900 -0.109 0.000 1.175 199 Y CA -0.450 57.661 58.100 0.018 0.000 1.205 199 Y CB -0.280 38.273 38.460 0.156 0.000 1.201 199 Y HN 0.270 nan 8.280 nan 0.000 0.532 200 A N 0.333 123.060 122.820 -0.155 0.000 1.865 200 A HA -0.266 4.054 4.320 -0.001 0.000 0.217 200 A C 2.112 179.399 177.584 -0.496 0.000 1.191 200 A CA 2.324 54.056 52.037 -0.507 0.000 0.623 200 A CB -0.373 17.874 19.000 -1.255 0.000 0.826 200 A HN 0.363 nan 8.150 nan 0.000 0.444 201 E N -0.042 119.910 120.200 -0.413 0.000 2.077 201 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 201 E C 2.181 178.736 176.600 -0.075 0.000 0.989 201 E CA 1.641 57.952 56.400 -0.148 0.000 0.800 201 E CB -0.241 29.471 29.700 0.021 0.000 0.746 201 E HN 0.604 nan 8.360 nan 0.000 0.452 202 R N -0.300 120.171 120.500 -0.049 0.000 2.073 202 R HA -0.059 4.280 4.340 -0.001 0.000 0.234 202 R C 2.620 178.921 176.300 0.000 0.000 1.134 202 R CA 1.512 57.609 56.100 -0.004 0.000 0.952 202 R CB -0.552 29.773 30.300 0.042 0.000 0.850 202 R HN 0.231 nan 8.270 nan 0.000 0.433 203 L N 0.472 121.709 121.223 0.022 0.000 2.187 203 L HA -0.207 4.132 4.340 -0.001 0.000 0.213 203 L C 2.296 179.130 176.870 -0.059 0.000 1.100 203 L CA 0.836 55.674 54.840 -0.003 0.000 0.765 203 L CB -0.213 41.858 42.059 0.019 0.000 0.904 203 L HN 0.206 nan 8.230 nan 0.000 0.437 204 L N -0.892 120.288 121.223 -0.072 0.000 2.168 204 L HA -0.068 4.272 4.340 -0.001 0.000 0.203 204 L C 2.433 179.271 176.870 -0.054 0.000 1.078 204 L CA 1.399 56.202 54.840 -0.062 0.000 0.780 204 L CB -0.299 41.727 42.059 -0.054 0.000 0.939 204 L HN -0.008 nan 8.230 nan 0.000 0.451 205 K N -0.507 119.866 120.400 -0.045 0.000 2.296 205 K HA -0.080 4.240 4.320 -0.001 0.000 0.200 205 K C 1.088 177.652 176.600 -0.060 0.000 1.048 205 K CA 0.868 57.132 56.287 -0.038 0.000 0.966 205 K CB 0.027 32.515 32.500 -0.020 0.000 0.754 205 K HN 0.402 nan 8.250 nan 0.000 0.466 206 D N 0.842 121.195 120.400 -0.078 0.000 2.347 206 D HA -0.055 4.585 4.640 -0.001 0.000 0.215 206 D C 1.811 178.012 176.300 -0.164 0.000 0.976 206 D CA 0.302 54.236 54.000 -0.110 0.000 0.884 206 D CB 0.262 40.996 40.800 -0.110 0.000 0.915 206 D HN 0.186 nan 8.370 nan 0.000 0.526 207 L N 0.858 121.979 121.223 -0.170 0.000 2.131 207 L HA -0.155 4.185 4.340 -0.001 0.000 0.210 207 L C 2.295 179.062 176.870 -0.171 0.000 1.092 207 L CA 0.982 55.687 54.840 -0.225 0.000 0.759 207 L CB -0.213 41.741 42.059 -0.176 0.000 0.903 207 L HN -0.040 nan 8.230 nan 0.000 0.435 208 E N -0.104 120.030 120.200 -0.110 0.000 2.065 208 E HA -0.259 4.091 4.350 -0.001 0.000 0.201 208 E C 2.106 178.662 176.600 -0.075 0.000 1.016 208 E CA 1.446 57.802 56.400 -0.074 0.000 0.818 208 E CB -0.374 29.295 29.700 -0.051 0.000 0.749 208 E HN 0.580 nan 8.360 nan 0.000 0.453 209 G N 0.479 109.228 108.800 -0.086 0.000 2.511 209 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.217 209 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.217 209 G C 0.528 175.377 174.900 -0.085 0.000 1.133 209 G CA -0.322 44.735 45.100 -0.072 0.000 0.792 209 G HN 0.057 nan 8.290 nan 0.000 0.539 210 L N 1.787 122.919 121.223 -0.152 0.000 2.615 210 L HA 0.111 4.450 4.340 -0.001 0.000 0.271 210 L C 0.261 177.083 176.870 -0.080 0.000 1.183 210 L CA -0.252 54.459 54.840 -0.215 0.000 0.933 210 L CB 0.288 42.035 42.059 -0.521 0.000 1.199 210 L HN 0.042 nan 8.230 nan 0.000 0.487 211 N N 4.930 123.661 118.700 0.052 0.000 2.739 211 N HA 0.101 4.841 4.740 -0.001 0.000 0.266 211 N C -1.371 174.363 175.510 0.374 0.000 1.168 211 N CA -0.155 52.983 53.050 0.147 0.000 1.055 211 N CB -0.053 38.498 38.487 0.106 0.000 1.393 211 N HN 0.338 nan 8.380 nan 0.000 0.514 212 W N 2.078 123.362 121.300 -0.026 0.000 2.762 212 W HA 0.497 5.157 4.660 -0.001 0.000 0.355 212 W C -1.946 174.531 176.519 -0.070 0.000 1.124 212 W CA -2.168 55.155 57.345 -0.037 0.000 1.141 212 W CB -0.211 29.237 29.460 -0.020 0.000 1.432 212 W HN 0.274 nan 8.180 nan 0.000 0.586 213 P HA 0.019 nan 4.420 nan 0.000 0.267 213 P C 0.652 177.977 177.300 0.042 0.000 1.205 213 P CA 0.210 63.292 63.100 -0.029 0.000 0.765 213 P CB 0.827 32.443 31.700 -0.140 0.000 0.828 214 E N 3.505 123.715 120.200 0.016 0.000 2.233 214 E HA -0.270 4.080 4.350 -0.001 0.000 0.199 214 E C 1.657 178.274 176.600 0.029 0.000 1.004 214 E CA 1.534 57.949 56.400 0.026 0.000 0.819 214 E CB -0.179 29.524 29.700 0.005 0.000 0.738 214 E HN 0.345 nan 8.360 nan 0.000 0.478 215 K N -0.480 119.927 120.400 0.011 0.000 2.057 215 K HA -0.093 4.227 4.320 -0.001 0.000 0.206 215 K C 1.842 178.463 176.600 0.035 0.000 1.050 215 K CA 1.385 57.678 56.287 0.010 0.000 0.935 215 K CB 0.075 32.563 32.500 -0.019 0.000 0.715 215 K HN 0.092 nan 8.250 nan 0.000 0.439 216 V N 1.665 121.618 119.914 0.064 0.000 2.379 216 V HA -0.182 3.937 4.120 -0.001 0.000 0.245 216 V C 2.114 178.304 176.094 0.159 0.000 1.044 216 V CA 1.567 63.937 62.300 0.118 0.000 1.036 216 V CB -0.371 31.553 31.823 0.169 0.000 0.664 216 V HN 0.305 nan 8.190 nan 0.000 0.453 217 K N 0.891 121.394 120.400 0.171 0.000 2.020 217 K HA -0.205 4.114 4.320 -0.001 0.000 0.212 217 K C 2.340 178.974 176.600 0.056 0.000 1.050 217 K CA 1.784 58.126 56.287 0.091 0.000 0.929 217 K CB -0.583 31.951 32.500 0.057 0.000 0.714 217 K HN 0.449 nan 8.250 nan 0.000 0.443 218 A N 1.131 123.982 122.820 0.050 0.000 1.940 218 A HA -0.184 4.136 4.320 -0.001 0.000 0.219 218 A C 2.125 179.740 177.584 0.052 0.000 1.176 218 A CA 1.692 53.753 52.037 0.041 0.000 0.631 218 A CB -0.500 18.519 19.000 0.032 0.000 0.814 218 A HN 0.236 nan 8.150 nan 0.000 0.446 219 M N -1.313 118.322 119.600 0.057 0.000 2.200 219 M HA -0.145 4.334 4.480 -0.001 0.000 0.265 219 M C 2.318 178.677 176.300 0.098 0.000 1.066 219 M CA 1.253 56.594 55.300 0.068 0.000 1.127 219 M CB -0.206 32.415 32.600 0.036 0.000 1.379 219 M HN 0.468 nan 8.290 nan 0.000 0.420 220 Q N -0.469 119.378 119.800 0.078 0.000 2.269 220 Q HA -0.034 4.306 4.340 -0.001 0.000 0.201 220 Q C 2.031 178.087 176.000 0.093 0.000 0.946 220 Q CA 0.706 56.559 55.803 0.084 0.000 0.877 220 Q CB 0.135 28.898 28.738 0.041 0.000 0.963 220 Q HN 0.497 nan 8.270 nan 0.000 0.472 221 R N 0.266 120.804 120.500 0.064 0.000 2.066 221 R HA -0.072 4.268 4.340 -0.001 0.000 0.232 221 R C 2.182 178.521 176.300 0.065 0.000 1.131 221 R CA 1.332 57.461 56.100 0.049 0.000 0.955 221 R CB -0.228 30.092 30.300 0.033 0.000 0.851 221 R HN 0.133 nan 8.270 nan 0.000 0.432 222 A N 0.624 123.491 122.820 0.079 0.000 1.970 222 A HA -0.143 4.176 4.320 -0.001 0.000 0.216 222 A C 1.818 179.442 177.584 0.067 0.000 1.170 222 A CA 0.608 52.682 52.037 0.062 0.000 0.645 222 A CB -0.662 18.376 19.000 0.063 0.000 0.816 222 A HN 0.605 nan 8.150 nan 0.000 0.447 223 W N 0.536 121.812 121.300 -0.041 0.000 2.409 223 W HA -0.085 4.574 4.660 -0.001 0.000 0.299 223 W C 1.597 178.079 176.519 -0.062 0.000 1.203 223 W CA 1.364 58.674 57.345 -0.059 0.000 1.298 223 W CB -0.318 29.099 29.460 -0.072 0.000 1.127 223 W HN 0.304 nan 8.180 nan 0.000 0.528 224 I N 1.381 122.014 120.570 0.105 0.000 2.142 224 I HA -0.116 4.054 4.170 -0.001 0.000 0.240 224 I C 1.404 177.484 176.117 -0.061 0.000 1.078 224 I CA 2.250 63.550 61.300 -0.000 0.000 1.343 224 I CB -1.042 36.971 38.000 0.021 0.000 1.046 224 I HN 0.156 nan 8.210 nan 0.000 0.405 225 G N 2.340 111.141 108.800 0.001 0.000 2.689 225 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.273 225 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.273 225 G C 0.125 175.109 174.900 0.139 0.000 1.062 225 G CA -0.313 44.787 45.100 -0.000 0.000 1.279 225 G HN 0.375 nan 8.290 nan 0.000 0.547 226 R N 0.147 120.770 120.500 0.205 0.000 2.694 226 R HA 0.520 4.859 4.340 -0.001 0.000 0.268 226 R C -0.005 176.350 176.300 0.091 0.000 1.061 226 R CA 0.620 56.861 56.100 0.234 0.000 1.133 226 R CB 0.639 31.079 30.300 0.233 0.000 1.020 226 R HN 0.617 nan 8.270 nan 0.000 0.475 227 S N 1.973 117.693 115.700 0.034 0.000 2.652 227 S HA 0.156 4.625 4.470 -0.001 0.000 0.273 227 S C -1.445 173.261 174.600 0.177 0.000 1.172 227 S CA -0.759 57.516 58.200 0.125 0.000 1.009 227 S CB 1.020 64.343 63.200 0.204 0.000 1.094 227 S HN 0.679 nan 8.310 nan 0.000 0.471 228 E N 1.966 122.245 120.200 0.133 0.000 2.373 228 E HA 0.634 4.983 4.350 -0.001 0.000 0.263 228 E C 0.681 177.333 176.600 0.085 0.000 1.073 228 E CA -0.012 56.445 56.400 0.095 0.000 0.894 228 E CB 1.210 30.932 29.700 0.036 0.000 1.008 228 E HN 0.782 nan 8.360 nan 0.000 0.420 229 G N 0.074 108.847 108.800 -0.044 0.000 2.393 229 G HA2 0.549 4.509 3.960 -0.001 0.000 0.264 229 G HA3 0.549 4.509 3.960 -0.001 0.000 0.264 229 G C -1.832 172.856 174.900 -0.353 0.000 1.221 229 G CA -0.122 44.741 45.100 -0.396 0.000 0.912 229 G HN 0.650 nan 8.290 nan 0.000 0.483 230 A N -0.487 122.003 122.820 -0.549 0.000 2.513 230 A HA 0.708 5.028 4.320 -0.001 0.000 0.296 230 A C -0.858 176.596 177.584 -0.216 0.000 1.052 230 A CA -0.229 51.653 52.037 -0.259 0.000 0.714 230 A CB 1.711 20.614 19.000 -0.162 0.000 1.279 230 A HN 0.717 nan 8.150 nan 0.000 0.397 231 E N 3.370 123.534 120.200 -0.060 0.000 1.996 231 E HA 0.406 4.756 4.350 -0.001 0.000 0.280 231 E C -0.670 175.942 176.600 0.021 0.000 1.092 231 E CA -0.147 56.259 56.400 0.011 0.000 0.862 231 E CB 0.142 29.871 29.700 0.049 0.000 1.066 231 E HN 0.562 nan 8.360 nan 0.000 0.396 232 I N 4.651 125.249 120.570 0.047 0.000 2.577 232 I HA 0.239 4.409 4.170 -0.001 0.000 0.300 232 I C -0.079 176.148 176.117 0.183 0.000 0.990 232 I CA -0.859 60.505 61.300 0.106 0.000 1.283 232 I CB 1.083 39.188 38.000 0.175 0.000 1.411 232 I HN 0.390 nan 8.210 nan 0.000 0.515 233 L N 5.134 126.444 121.223 0.145 0.000 2.343 233 L HA 0.438 4.778 4.340 -0.001 0.000 0.278 233 L C -1.150 175.810 176.870 0.150 0.000 0.996 233 L CA -0.363 54.572 54.840 0.159 0.000 0.831 233 L CB 1.106 43.198 42.059 0.056 0.000 1.232 233 L HN 0.348 nan 8.230 nan 0.000 0.413 234 F N 3.874 123.819 119.950 -0.008 0.000 2.361 234 F HA 0.443 4.970 4.527 -0.001 0.000 0.364 234 F C -1.971 173.829 175.800 0.000 0.000 1.120 234 F CA -2.675 55.324 58.000 -0.003 0.000 1.102 234 F CB 1.025 40.026 39.000 0.001 0.000 1.183 234 F HN 0.220 nan 8.300 nan 0.000 0.476 235 P HA 0.013 nan 4.420 nan 0.000 0.265 235 P C -0.326 177.035 177.300 0.102 0.000 1.193 235 P CA 0.080 63.220 63.100 0.067 0.000 0.765 235 P CB 0.719 32.430 31.700 0.018 0.000 0.823 236 V N 3.167 123.127 119.914 0.077 0.000 2.644 236 V HA 0.084 4.203 4.120 -0.001 0.000 0.295 236 V C 0.806 176.944 176.094 0.073 0.000 1.053 236 V CA -0.490 61.858 62.300 0.081 0.000 0.987 236 V CB 0.955 32.804 31.823 0.043 0.000 1.006 236 V HN 0.558 nan 8.190 nan 0.000 0.472 237 E N 3.131 123.392 120.200 0.102 0.000 2.463 237 E HA 0.255 4.604 4.350 -0.001 0.000 0.248 237 E C 1.256 177.882 176.600 0.043 0.000 1.106 237 E CA 1.019 57.468 56.400 0.082 0.000 0.946 237 E CB -0.308 29.462 29.700 0.117 0.000 0.971 237 E HN 0.934 nan 8.360 nan 0.000 0.478 238 G N 4.964 113.778 108.800 0.024 0.000 2.708 238 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.229 238 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.229 238 G C 0.073 174.979 174.900 0.009 0.000 1.236 238 G CA 0.308 45.414 45.100 0.010 0.000 0.749 238 G HN 0.547 nan 8.290 nan 0.000 0.515 239 K N 1.796 122.205 120.400 0.014 0.000 2.527 239 K HA 0.149 4.469 4.320 -0.001 0.000 0.278 239 K C 1.498 178.103 176.600 0.008 0.000 0.981 239 K CA 0.871 57.163 56.287 0.008 0.000 1.009 239 K CB 0.711 33.216 32.500 0.008 0.000 0.895 239 K HN 0.676 nan 8.250 nan 0.000 0.493 240 E N 1.109 121.310 120.200 0.002 0.000 2.338 240 E HA -0.082 4.268 4.350 -0.001 0.000 0.197 240 E C 1.014 177.616 176.600 0.003 0.000 1.007 240 E CA 0.248 56.649 56.400 0.001 0.000 0.849 240 E CB -0.339 29.359 29.700 -0.003 0.000 0.774 240 E HN 0.292 nan 8.360 nan 0.000 0.506 241 V N 0.952 120.869 119.914 0.005 0.000 3.096 241 V HA 0.178 4.298 4.120 -0.001 0.000 0.306 241 V C -0.093 176.012 176.094 0.019 0.000 1.088 241 V CA -0.238 62.068 62.300 0.009 0.000 1.129 241 V CB 0.726 32.551 31.823 0.003 0.000 1.014 241 V HN 0.242 nan 8.190 nan 0.000 0.486 242 R N 4.951 125.466 120.500 0.026 0.000 2.837 242 R HA 0.629 4.969 4.340 -0.001 0.000 0.271 242 R C -1.262 175.072 176.300 0.057 0.000 0.993 242 R CA -0.878 55.249 56.100 0.045 0.000 0.931 242 R CB 2.135 32.458 30.300 0.038 0.000 1.206 242 R HN 0.601 nan 8.270 nan 0.000 0.474 243 I N 3.488 124.113 120.570 0.092 0.000 2.382 243 I HA 0.327 4.496 4.170 -0.001 0.000 0.286 243 I C -2.299 173.885 176.117 0.112 0.000 1.002 243 I CA -2.252 59.093 61.300 0.076 0.000 1.135 243 I CB 2.216 40.233 38.000 0.029 0.000 1.288 243 I HN 0.254 nan 8.210 nan 0.000 0.448 244 P HA 0.318 nan 4.420 nan 0.000 0.292 244 P C -1.040 176.300 177.300 0.066 0.000 1.283 244 P CA -0.425 62.730 63.100 0.093 0.000 0.835 244 P CB 1.988 33.734 31.700 0.077 0.000 1.017 245 V N 0.784 120.733 119.914 0.058 0.000 2.668 245 V HA 0.513 4.633 4.120 -0.001 0.000 0.304 245 V C -0.832 175.289 176.094 0.045 0.000 1.071 245 V CA -1.075 61.233 62.300 0.014 0.000 0.894 245 V CB 1.371 33.136 31.823 -0.097 0.000 1.008 245 V HN 0.361 nan 8.190 nan 0.000 0.425 246 F N 3.910 123.794 119.950 -0.110 0.000 2.456 246 F HA 0.682 5.208 4.527 -0.000 0.000 0.358 246 F C 0.549 176.292 175.800 -0.095 0.000 1.095 246 F CA 0.921 58.847 58.000 -0.123 0.000 1.216 246 F CB 1.200 40.067 39.000 -0.222 0.000 1.125 246 F HN 0.925 nan 8.300 nan 0.000 0.549 247 T N 3.277 117.476 114.554 -0.591 0.000 2.921 247 T HA 0.258 4.608 4.350 -0.001 0.000 0.297 247 T C 0.556 174.900 174.700 -0.593 0.000 1.013 247 T CA -0.024 61.831 62.100 -0.408 0.000 0.990 247 T CB 1.165 69.907 68.868 -0.211 0.000 1.023 247 T HN 0.736 nan 8.240 nan 0.000 0.447 248 T N 1.807 116.156 114.554 -0.341 0.000 3.129 248 T HA 0.287 4.637 4.350 -0.001 0.000 0.251 248 T C 0.697 175.311 174.700 -0.144 0.000 1.117 248 T CA -0.141 61.826 62.100 -0.221 0.000 1.034 248 T CB 0.025 68.866 68.868 -0.045 0.000 0.968 248 T HN 0.428 nan 8.240 nan 0.000 0.526 249 R N 1.391 121.807 120.500 -0.139 0.000 2.653 249 R HA 0.266 4.605 4.340 -0.001 0.000 0.269 249 R C -2.428 173.805 176.300 -0.111 0.000 1.603 249 R CA -1.768 54.265 56.100 -0.111 0.000 1.671 249 R CB 1.005 31.254 30.300 -0.085 0.000 1.300 249 R HN 0.230 nan 8.270 nan 0.000 0.668 250 P HA -0.151 nan 4.420 nan 0.000 0.225 250 P C 0.324 177.560 177.300 -0.107 0.000 1.148 250 P CA 1.059 64.099 63.100 -0.100 0.000 0.779 250 P CB 0.059 31.699 31.700 -0.101 0.000 0.780 251 D N -1.152 119.168 120.400 -0.133 0.000 2.407 251 D HA -0.079 4.560 4.640 -0.001 0.000 0.234 251 D C 0.677 176.887 176.300 -0.150 0.000 1.029 251 D CA 0.834 54.731 54.000 -0.173 0.000 0.937 251 D CB -0.835 39.865 40.800 -0.166 0.000 0.882 251 D HN 0.129 nan 8.370 nan 0.000 0.531 252 T N -1.102 113.397 114.554 -0.091 0.000 2.985 252 T HA 0.075 4.425 4.350 -0.001 0.000 0.254 252 T C 1.494 176.226 174.700 0.054 0.000 1.021 252 T CA -0.423 61.651 62.100 -0.044 0.000 0.957 252 T CB -0.043 68.804 68.868 -0.036 0.000 1.047 252 T HN 0.028 nan 8.240 nan 0.000 0.511 253 L N 1.282 122.531 121.223 0.043 0.000 2.151 253 L HA -0.200 4.139 4.340 -0.001 0.000 0.219 253 L C 1.622 178.486 176.870 -0.010 0.000 1.083 253 L CA 1.972 56.825 54.840 0.022 0.000 0.782 253 L CB -0.833 41.184 42.059 -0.070 0.000 0.891 253 L HN 0.218 nan 8.230 nan 0.000 0.439 254 F N -0.741 119.172 119.950 -0.062 0.000 2.186 254 F HA 0.001 4.528 4.527 -0.000 0.000 0.299 254 F C 2.451 178.265 175.800 0.023 0.000 1.090 254 F CA 1.196 59.181 58.000 -0.025 0.000 1.307 254 F CB -1.335 37.632 39.000 -0.056 0.000 1.019 254 F HN 0.153 nan 8.300 nan 0.000 0.489 255 G N -0.182 108.743 108.800 0.207 0.000 2.559 255 G HA2 0.048 4.008 3.960 -0.001 0.000 0.216 255 G HA3 0.048 4.008 3.960 -0.001 0.000 0.216 255 G C 0.796 175.757 174.900 0.101 0.000 1.126 255 G CA 0.336 45.535 45.100 0.166 0.000 0.778 255 G HN 0.426 nan 8.290 nan 0.000 0.543 256 A N 0.713 123.581 122.820 0.080 0.000 2.545 256 A HA 0.425 4.745 4.320 -0.001 0.000 0.253 256 A C 1.533 179.157 177.584 0.066 0.000 1.074 256 A CA 1.010 53.074 52.037 0.045 0.000 0.760 256 A CB 0.108 19.210 19.000 0.170 0.000 1.005 256 A HN 0.511 nan 8.150 nan 0.000 0.506 257 T N -0.520 114.031 114.554 -0.006 0.000 2.975 257 T HA 0.509 4.859 4.350 -0.001 0.000 0.257 257 T C 0.093 174.974 174.700 0.303 0.000 1.003 257 T CA 0.547 62.737 62.100 0.151 0.000 0.932 257 T CB -0.388 68.616 68.868 0.227 0.000 1.087 257 T HN 1.295 nan 8.240 nan 0.000 0.512 258 F N -0.234 119.738 119.950 0.037 0.000 2.858 258 F HA 0.742 5.269 4.527 -0.001 0.000 0.319 258 F C -2.356 173.397 175.800 -0.079 0.000 1.166 258 F CA -1.949 56.057 58.000 0.010 0.000 0.899 258 F CB 0.848 39.841 39.000 -0.011 0.000 1.332 258 F HN -0.123 nan 8.300 nan 0.000 0.461 259 L N 1.542 122.853 121.223 0.146 0.000 2.323 259 L HA 0.903 5.243 4.340 -0.001 0.000 0.265 259 L C -1.192 175.725 176.870 0.078 0.000 1.012 259 L CA -1.502 53.296 54.840 -0.071 0.000 0.820 259 L CB 2.131 44.061 42.059 -0.215 0.000 1.334 259 L HN 0.564 nan 8.230 nan 0.000 0.427 260 V N 2.993 122.864 119.914 -0.072 0.000 2.462 260 V HA 0.371 4.491 4.120 -0.001 0.000 0.288 260 V C -0.184 175.826 176.094 -0.139 0.000 1.020 260 V CA -0.349 61.893 62.300 -0.097 0.000 0.857 260 V CB 1.744 33.408 31.823 -0.266 0.000 1.013 260 V HN 0.494 nan 8.190 nan 0.000 0.431 261 L N 3.649 124.808 121.223 -0.107 0.000 2.350 261 L HA 0.742 5.081 4.340 -0.001 0.000 0.275 261 L C 0.897 177.737 176.870 -0.049 0.000 1.099 261 L CA -0.341 54.451 54.840 -0.081 0.000 0.808 261 L CB 1.214 43.152 42.059 -0.201 0.000 1.149 261 L HN 0.707 nan 8.230 nan 0.000 0.442 262 A N 4.046 126.871 122.820 0.009 0.000 2.450 262 A HA 0.351 4.670 4.320 -0.001 0.000 0.255 262 A C -1.427 176.149 177.584 -0.014 0.000 1.096 262 A CA -1.234 50.808 52.037 0.009 0.000 0.778 262 A CB 0.040 19.089 19.000 0.081 0.000 1.031 262 A HN 0.626 nan 8.150 nan 0.000 0.494 263 P HA -0.247 nan 4.420 nan 0.000 0.226 263 P C 0.372 177.670 177.300 -0.004 0.000 1.154 263 P CA 1.982 65.126 63.100 0.074 0.000 0.918 263 P CB 0.120 31.911 31.700 0.151 0.000 0.790 264 E N -2.699 117.464 120.200 -0.061 0.000 2.370 264 E HA 0.029 4.379 4.350 -0.001 0.000 0.194 264 E C 0.482 176.791 176.600 -0.486 0.000 1.057 264 E CA -0.190 56.130 56.400 -0.133 0.000 1.011 264 E CB -0.863 28.852 29.700 0.024 0.000 1.132 264 E HN 0.351 nan 8.360 nan 0.000 0.450 265 H N 1.199 119.913 119.070 -0.594 0.000 2.803 265 H HA 0.043 4.598 4.556 -0.001 0.000 0.330 265 H C -1.554 173.542 175.328 -0.386 0.000 1.057 265 H CA -2.099 53.522 56.048 -0.712 0.000 1.458 265 H CB 1.122 30.620 29.762 -0.441 0.000 1.470 265 H HN -0.055 nan 8.280 nan 0.000 0.560 266 P HA -0.185 nan 4.420 nan 0.000 0.216 266 P C 1.648 178.971 177.300 0.039 0.000 1.154 266 P CA 1.222 64.346 63.100 0.039 0.000 0.865 266 P CB 0.227 31.971 31.700 0.073 0.000 0.789 267 L N -1.985 119.276 121.223 0.064 0.000 2.478 267 L HA -0.060 4.279 4.340 -0.001 0.000 0.223 267 L C 2.222 178.967 176.870 -0.209 0.000 1.140 267 L CA 1.108 55.847 54.840 -0.168 0.000 0.842 267 L CB -1.143 40.686 42.059 -0.383 0.000 0.953 267 L HN 0.010 nan 8.230 nan 0.000 0.452 268 T N 0.005 114.454 114.554 -0.175 0.000 2.569 268 T HA -0.214 4.136 4.350 -0.001 0.000 0.263 268 T C 1.815 176.437 174.700 -0.131 0.000 1.074 268 T CA 1.457 63.466 62.100 -0.152 0.000 1.176 268 T CB -0.226 68.582 68.868 -0.101 0.000 0.863 268 T HN 0.210 nan 8.240 nan 0.000 0.410 269 L N 0.467 121.634 121.223 -0.093 0.000 2.179 269 L HA 0.029 4.369 4.340 -0.001 0.000 0.208 269 L C 2.717 179.538 176.870 -0.081 0.000 1.096 269 L CA 1.093 55.884 54.840 -0.082 0.000 0.779 269 L CB -0.490 41.536 42.059 -0.055 0.000 0.922 269 L HN 0.398 nan 8.230 nan 0.000 0.443 270 E N 0.543 120.699 120.200 -0.074 0.000 2.204 270 E HA -0.184 4.166 4.350 -0.001 0.000 0.194 270 E C 2.138 178.693 176.600 -0.075 0.000 0.989 270 E CA 0.810 57.172 56.400 -0.062 0.000 0.824 270 E CB 0.187 29.859 29.700 -0.047 0.000 0.756 270 E HN 0.479 nan 8.360 nan 0.000 0.477 271 L N 0.157 121.318 121.223 -0.103 0.000 2.463 271 L HA 0.251 4.590 4.340 -0.001 0.000 0.219 271 L C 0.850 177.637 176.870 -0.139 0.000 1.088 271 L CA -0.127 54.647 54.840 -0.111 0.000 0.849 271 L CB 0.097 42.080 42.059 -0.127 0.000 1.012 271 L HN 0.004 nan 8.230 nan 0.000 0.468 272 A N 1.707 124.433 122.820 -0.156 0.000 2.558 272 A HA 0.256 4.575 4.320 -0.001 0.000 0.262 272 A C 0.810 178.293 177.584 -0.168 0.000 1.049 272 A CA 0.314 52.237 52.037 -0.190 0.000 0.804 272 A CB -0.373 18.532 19.000 -0.158 0.000 0.957 272 A HN 0.301 nan 8.150 nan 0.000 0.520 273 A N 5.263 127.955 122.820 -0.214 0.000 2.511 273 A HA 0.472 4.791 4.320 -0.001 0.000 0.242 273 A C -0.977 176.529 177.584 -0.131 0.000 1.069 273 A CA -0.820 51.120 52.037 -0.161 0.000 0.763 273 A CB -0.116 18.770 19.000 -0.190 0.000 1.001 273 A HN 0.642 nan 8.150 nan 0.000 0.498 274 P HA -0.105 nan 4.420 nan 0.000 0.225 274 P C 0.629 177.888 177.300 -0.067 0.000 1.148 274 P CA 1.279 64.337 63.100 -0.069 0.000 0.779 274 P CB 0.251 31.922 31.700 -0.048 0.000 0.780 275 E N 0.039 120.195 120.200 -0.074 0.000 2.016 275 E HA -0.084 4.266 4.350 -0.001 0.000 0.190 275 E C 1.722 178.269 176.600 -0.089 0.000 0.985 275 E CA 0.995 57.355 56.400 -0.066 0.000 0.802 275 E CB -0.484 29.185 29.700 -0.052 0.000 0.762 275 E HN 0.129 nan 8.360 nan 0.000 0.448 276 K N 0.697 121.011 120.400 -0.142 0.000 2.459 276 K HA 0.061 4.380 4.320 -0.001 0.000 0.193 276 K C 1.913 178.413 176.600 -0.167 0.000 1.030 276 K CA 0.233 56.409 56.287 -0.185 0.000 1.026 276 K CB 0.117 32.424 32.500 -0.323 0.000 0.809 276 K HN -0.073 nan 8.250 nan 0.000 0.504 277 R N 2.341 122.758 120.500 -0.138 0.000 2.117 277 R HA -0.181 4.159 4.340 -0.001 0.000 0.243 277 R C 1.889 178.143 176.300 -0.076 0.000 1.143 277 R CA 1.803 57.839 56.100 -0.108 0.000 0.968 277 R CB -0.183 30.065 30.300 -0.086 0.000 0.863 277 R HN 0.330 nan 8.270 nan 0.000 0.444 278 E N -0.157 120.005 120.200 -0.063 0.000 2.028 278 E HA -0.209 4.141 4.350 -0.001 0.000 0.191 278 E C 1.798 178.380 176.600 -0.030 0.000 0.988 278 E CA 1.398 57.775 56.400 -0.039 0.000 0.799 278 E CB -0.121 29.561 29.700 -0.030 0.000 0.755 278 E HN 0.505 nan 8.360 nan 0.000 0.447 279 E N -0.320 119.854 120.200 -0.044 0.000 2.153 279 E HA -0.158 4.191 4.350 -0.001 0.000 0.194 279 E C 1.978 178.570 176.600 -0.013 0.000 0.988 279 E CA 1.039 57.424 56.400 -0.025 0.000 0.811 279 E CB 0.250 29.918 29.700 -0.054 0.000 0.746 279 E HN 0.145 nan 8.360 nan 0.000 0.466 280 V N 1.595 121.470 119.914 -0.065 0.000 2.453 280 V HA -0.221 3.899 4.120 -0.001 0.000 0.247 280 V C 2.415 178.516 176.094 0.011 0.000 1.048 280 V CA 1.485 63.749 62.300 -0.060 0.000 1.049 280 V CB -0.424 31.318 31.823 -0.135 0.000 0.672 280 V HN 0.405 nan 8.190 nan 0.000 0.457 281 L N 0.545 121.765 121.223 -0.006 0.000 2.131 281 L HA -0.082 4.258 4.340 -0.001 0.000 0.210 281 L C 2.375 179.265 176.870 0.032 0.000 1.092 281 L CA 1.844 56.688 54.840 0.007 0.000 0.759 281 L CB -0.463 41.590 42.059 -0.010 0.000 0.903 281 L HN 0.247 nan 8.230 nan 0.000 0.435 282 A N -0.852 121.996 122.820 0.047 0.000 1.929 282 A HA -0.235 4.085 4.320 -0.001 0.000 0.216 282 A C 2.098 179.730 177.584 0.079 0.000 1.176 282 A CA 1.377 53.447 52.037 0.054 0.000 0.628 282 A CB -0.987 18.046 19.000 0.056 0.000 0.816 282 A HN 0.641 nan 8.150 nan 0.000 0.444 283 Y N 0.075 120.374 120.300 -0.001 0.000 2.439 283 Y HA -0.091 4.459 4.550 -0.001 0.000 0.292 283 Y C 2.243 178.156 175.900 0.021 0.000 1.130 283 Y CA 1.363 59.473 58.100 0.017 0.000 1.254 283 Y CB 0.124 38.592 38.460 0.013 0.000 1.000 283 Y HN 0.112 nan 8.280 nan 0.000 0.554 284 V N -0.119 119.870 119.914 0.126 0.000 2.255 284 V HA -0.257 3.863 4.120 -0.001 0.000 0.243 284 V C 1.962 178.065 176.094 0.014 0.000 1.038 284 V CA 2.117 64.457 62.300 0.067 0.000 1.008 284 V CB -0.589 31.266 31.823 0.052 0.000 0.645 284 V HN 0.278 nan 8.190 nan 0.000 0.449 285 E N 0.109 120.314 120.200 0.008 0.000 2.273 285 E HA -0.231 4.118 4.350 -0.001 0.000 0.198 285 E C 2.161 178.744 176.600 -0.028 0.000 1.002 285 E CA 1.191 57.588 56.400 -0.005 0.000 0.828 285 E CB -0.217 29.482 29.700 -0.002 0.000 0.747 285 E HN 0.619 nan 8.360 nan 0.000 0.491 286 A N 1.247 124.027 122.820 -0.066 0.000 1.855 286 A HA 0.023 4.343 4.320 -0.001 0.000 0.213 286 A C 2.354 179.862 177.584 -0.126 0.000 1.195 286 A CA 1.285 53.247 52.037 -0.124 0.000 0.610 286 A CB -0.593 18.262 19.000 -0.242 0.000 0.837 286 A HN 0.289 nan 8.150 nan 0.000 0.444 287 A N 0.121 122.853 122.820 -0.147 0.000 1.841 287 A HA -0.210 4.109 4.320 -0.001 0.000 0.216 287 A C 2.134 179.720 177.584 0.003 0.000 1.199 287 A CA 2.265 54.260 52.037 -0.069 0.000 0.621 287 A CB -0.729 18.269 19.000 -0.003 0.000 0.835 287 A HN 0.545 nan 8.150 nan 0.000 0.445 288 K N -0.712 119.701 120.400 0.021 0.000 2.032 288 K HA -0.284 4.035 4.320 -0.001 0.000 0.218 288 K C 2.320 178.943 176.600 0.039 0.000 1.054 288 K CA 2.262 58.576 56.287 0.044 0.000 0.941 288 K CB -0.233 32.289 32.500 0.038 0.000 0.720 288 K HN 0.364 nan 8.250 nan 0.000 0.449 289 R N 1.010 121.521 120.500 0.018 0.000 2.120 289 R HA -0.026 4.314 4.340 -0.001 0.000 0.234 289 R C 0.372 176.690 176.300 0.030 0.000 1.123 289 R CA 0.946 57.058 56.100 0.020 0.000 0.975 289 R CB 0.037 30.340 30.300 0.004 0.000 0.866 289 R HN 0.014 nan 8.270 nan 0.000 0.446 290 K N 1.347 121.759 120.400 0.021 0.000 2.368 290 K HA -0.007 4.312 4.320 -0.001 0.000 0.282 290 K C -0.528 176.106 176.600 0.057 0.000 1.035 290 K CA 0.222 56.528 56.287 0.031 0.000 0.973 290 K CB 0.820 33.327 32.500 0.012 0.000 0.957 290 K HN 0.153 nan 8.250 nan 0.000 0.474 291 T N 0.164 114.758 114.554 0.067 0.000 2.897 291 T HA 0.207 4.556 4.350 -0.001 0.000 0.278 291 T C 0.994 175.747 174.700 0.088 0.000 0.981 291 T CA -0.834 61.317 62.100 0.085 0.000 0.973 291 T CB 1.163 70.086 68.868 0.091 0.000 1.092 291 T HN 0.490 nan 8.240 nan 0.000 0.543 292 E N -0.146 120.114 120.200 0.099 0.000 2.338 292 E HA -0.005 4.345 4.350 -0.001 0.000 0.197 292 E C 1.796 178.450 176.600 0.090 0.000 1.007 292 E CA 0.436 56.895 56.400 0.099 0.000 0.849 292 E CB -0.163 29.603 29.700 0.110 0.000 0.774 292 E HN 0.629 nan 8.360 nan 0.000 0.506 293 I N 0.821 121.442 120.570 0.085 0.000 2.233 293 I HA -0.229 3.940 4.170 -0.001 0.000 0.243 293 I C 2.005 178.163 176.117 0.068 0.000 1.093 293 I CA 1.105 62.450 61.300 0.075 0.000 1.380 293 I CB -0.015 38.028 38.000 0.072 0.000 1.067 293 I HN 0.045 nan 8.210 nan 0.000 0.413 294 E N 0.220 120.460 120.200 0.066 0.000 2.216 294 E HA -0.119 4.231 4.350 -0.001 0.000 0.192 294 E C 2.199 178.837 176.600 0.064 0.000 0.988 294 E CA 0.350 56.786 56.400 0.059 0.000 0.834 294 E CB 0.029 29.760 29.700 0.052 0.000 0.772 294 E HN 0.372 nan 8.360 nan 0.000 0.479 295 R N 0.637 121.181 120.500 0.073 0.000 2.105 295 R HA -0.138 4.202 4.340 -0.001 0.000 0.239 295 R C 2.021 178.370 176.300 0.083 0.000 1.135 295 R CA 1.103 57.254 56.100 0.084 0.000 0.967 295 R CB 0.009 30.366 30.300 0.094 0.000 0.861 295 R HN 0.178 nan 8.270 nan 0.000 0.442 296 Q N -0.702 119.143 119.800 0.075 0.000 2.376 296 Q HA 0.133 4.473 4.340 -0.001 0.000 0.206 296 Q C 1.945 177.981 176.000 0.060 0.000 0.921 296 Q CA 0.908 56.753 55.803 0.069 0.000 0.911 296 Q CB 0.057 28.835 28.738 0.067 0.000 1.032 296 Q HN 0.261 nan 8.270 nan 0.000 0.510 297 A N 1.792 124.646 122.820 0.057 0.000 1.877 297 A HA -0.207 4.113 4.320 -0.001 0.000 0.216 297 A C 2.010 179.624 177.584 0.050 0.000 1.186 297 A CA 1.441 53.508 52.037 0.049 0.000 0.620 297 A CB -0.440 18.588 19.000 0.047 0.000 0.822 297 A HN 0.344 nan 8.150 nan 0.000 0.443 298 E N -0.912 119.322 120.200 0.057 0.000 2.130 298 E HA 0.104 4.454 4.350 -0.001 0.000 0.196 298 E C 1.238 177.873 176.600 0.059 0.000 0.998 298 E CA 0.534 56.970 56.400 0.060 0.000 0.806 298 E CB -0.325 29.420 29.700 0.074 0.000 0.738 298 E HN 0.800 nan 8.360 nan 0.000 0.459 299 G N 0.947 109.784 108.800 0.062 0.000 2.698 299 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.225 299 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.225 299 G C -0.384 174.559 174.900 0.072 0.000 1.345 299 G CA -0.183 44.953 45.100 0.059 0.000 0.871 299 G HN 0.299 nan 8.290 nan 0.000 0.540 300 R N -0.035 120.504 120.500 0.065 0.000 4.609 300 R HA 0.484 4.824 4.340 -0.001 0.000 0.235 300 R C -0.034 176.304 176.300 0.062 0.000 1.836 300 R CA -0.164 55.978 56.100 0.071 0.000 1.564 300 R CB 0.450 30.786 30.300 0.061 0.000 1.382 300 R HN 0.358 nan 8.270 nan 0.000 0.776 301 E N 1.824 122.069 120.200 0.075 0.000 2.174 301 E HA 0.167 4.516 4.350 -0.001 0.000 0.282 301 E C -0.668 176.002 176.600 0.117 0.000 0.992 301 E CA -0.867 55.573 56.400 0.067 0.000 0.803 301 E CB 1.369 31.104 29.700 0.060 0.000 1.090 301 E HN 0.110 nan 8.360 nan 0.000 0.396 302 K N 1.221 121.678 120.400 0.095 0.000 2.237 302 K HA 0.315 4.635 4.320 -0.001 0.000 0.270 302 K C -0.675 176.112 176.600 0.311 0.000 1.015 302 K CA 0.166 56.580 56.287 0.212 0.000 0.949 302 K CB 0.908 33.492 32.500 0.138 0.000 0.976 302 K HN 0.335 nan 8.250 nan 0.000 0.472 303 T N 0.143 115.029 114.554 0.553 0.000 3.435 303 T HA 0.656 5.006 4.350 -0.001 0.000 0.344 303 T C -0.483 174.600 174.700 0.638 0.000 1.211 303 T CA -0.958 61.504 62.100 0.603 0.000 1.104 303 T CB 1.663 70.827 68.868 0.494 0.000 1.196 303 T HN 0.643 nan 8.240 nan 0.000 0.471 304 G N 0.707 109.719 108.800 0.353 0.000 2.570 304 G HA2 0.725 4.684 3.960 -0.001 0.000 0.310 304 G HA3 0.725 4.684 3.960 -0.001 0.000 0.310 304 G C -2.023 172.653 174.900 -0.374 0.000 1.266 304 G CA -0.573 44.455 45.100 -0.120 0.000 0.825 304 G HN 0.797 nan 8.290 nan 0.000 0.483 305 V N -0.089 119.577 119.914 -0.414 0.000 3.049 305 V HA 0.607 4.727 4.120 -0.001 0.000 0.309 305 V C -1.528 173.998 176.094 -0.946 0.000 1.148 305 V CA -0.697 61.268 62.300 -0.560 0.000 0.990 305 V CB 2.209 33.735 31.823 -0.496 0.000 1.039 305 V HN 0.816 nan 8.190 nan 0.000 0.430 306 F N 2.718 121.807 119.950 -1.436 0.000 2.405 306 F HA 0.523 5.050 4.527 -0.000 0.000 0.355 306 F C 0.775 176.101 175.800 -0.790 0.000 1.121 306 F CA -0.647 56.371 58.000 -1.635 0.000 1.112 306 F CB 0.867 38.949 39.000 -1.530 0.000 1.126 306 F HN 0.418 nan 8.300 nan 0.000 0.481 307 L N 5.038 125.599 121.223 -1.103 0.000 2.083 307 L HA 0.030 4.370 4.340 -0.001 0.000 0.209 307 L C 1.623 177.861 176.870 -1.053 0.000 1.083 307 L CA 1.357 55.688 54.840 -0.848 0.000 0.752 307 L CB -0.771 40.971 42.059 -0.529 0.000 0.899 307 L HN 1.041 nan 8.230 nan 0.000 0.433 308 G N -0.780 106.886 108.800 -1.890 0.000 2.207 308 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.216 308 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.216 308 G C -0.059 174.571 174.900 -0.451 0.000 1.053 308 G CA 0.023 44.415 45.100 -1.180 0.000 0.764 308 G HN 0.611 nan 8.290 nan 0.000 0.495 309 A N -1.135 121.464 122.820 -0.368 0.000 2.726 309 A HA 1.055 5.375 4.320 -0.001 0.000 0.248 309 A C -0.629 176.970 177.584 0.025 0.000 1.249 309 A CA -0.810 51.207 52.037 -0.034 0.000 0.846 309 A CB 1.242 20.200 19.000 -0.070 0.000 1.391 309 A HN 0.970 nan 8.150 nan 0.000 0.497 310 Y N -2.927 117.435 120.300 0.103 0.000 2.900 310 Y HA 0.686 5.236 4.550 -0.001 0.000 0.318 310 Y C -0.091 175.885 175.900 0.128 0.000 1.457 310 Y CA 0.114 58.304 58.100 0.150 0.000 1.082 310 Y CB 1.909 40.445 38.460 0.127 0.000 1.419 310 Y HN 1.271 nan 8.280 nan 0.000 0.459 311 A N 0.709 123.733 122.820 0.340 0.000 2.582 311 A HA 0.631 4.951 4.320 -0.001 0.000 0.297 311 A C -2.237 175.507 177.584 0.268 0.000 1.059 311 A CA -0.663 51.538 52.037 0.273 0.000 0.705 311 A CB 0.679 19.851 19.000 0.288 0.000 1.279 311 A HN 0.589 nan 8.150 nan 0.000 0.404 312 L N 1.966 123.295 121.223 0.176 0.000 2.371 312 L HA 0.347 4.687 4.340 -0.001 0.000 0.272 312 L C 0.664 177.517 176.870 -0.028 0.000 1.124 312 L CA -0.686 54.200 54.840 0.077 0.000 0.816 312 L CB 0.797 42.865 42.059 0.015 0.000 1.129 312 L HN 0.744 nan 8.230 nan 0.000 0.448 313 N N 3.879 122.532 118.700 -0.078 0.000 2.415 313 N HA 0.139 4.879 4.740 -0.001 0.000 0.246 313 N C -1.794 173.499 175.510 -0.362 0.000 1.078 313 N CA -1.738 51.140 53.050 -0.287 0.000 0.942 313 N CB 1.353 39.768 38.487 -0.121 0.000 1.140 313 N HN 0.263 nan 8.380 nan 0.000 0.501 314 P HA -0.283 nan 4.420 nan 0.000 0.221 314 P C 0.723 177.946 177.300 -0.128 0.000 1.160 314 P CA 2.126 65.038 63.100 -0.312 0.000 0.933 314 P CB 0.180 31.667 31.700 -0.355 0.000 0.793 315 A N -0.663 121.995 122.820 -0.271 0.000 1.822 315 A HA -0.165 4.154 4.320 -0.001 0.000 0.214 315 A C 2.408 179.802 177.584 -0.317 0.000 1.245 315 A CA 3.185 54.951 52.037 -0.453 0.000 0.608 315 A CB -1.956 16.083 19.000 -1.602 0.000 0.896 315 A HN 0.365 nan 8.150 nan 0.000 0.457 316 T N -2.990 111.327 114.554 -0.395 0.000 2.833 316 T HA 0.247 4.596 4.350 -0.001 0.000 0.269 316 T C 1.395 176.085 174.700 -0.018 0.000 1.054 316 T CA 1.614 63.661 62.100 -0.089 0.000 1.135 316 T CB -0.899 67.961 68.868 -0.015 0.000 0.869 316 T HN 2.160 nan 8.240 nan 0.000 0.466 317 G N 1.922 110.689 108.800 -0.054 0.000 2.291 317 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.271 317 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.271 317 G C -0.330 174.573 174.900 0.005 0.000 1.099 317 G CA 0.254 45.341 45.100 -0.021 0.000 0.919 317 G HN 1.149 nan 8.290 nan 0.000 0.496 318 E N -1.280 118.928 120.200 0.015 0.000 2.445 318 E HA 0.779 5.129 4.350 -0.001 0.000 0.273 318 E C 0.223 176.875 176.600 0.088 0.000 0.961 318 E CA -1.511 54.917 56.400 0.047 0.000 0.807 318 E CB 1.286 31.021 29.700 0.059 0.000 1.362 318 E HN 0.243 nan 8.360 nan 0.000 0.453 319 R N 0.182 120.750 120.500 0.114 0.000 2.615 319 R HA 0.574 4.913 4.340 -0.001 0.000 0.270 319 R C -0.236 176.243 176.300 0.298 0.000 1.081 319 R CA -0.004 56.221 56.100 0.208 0.000 1.154 319 R CB 0.445 30.831 30.300 0.143 0.000 1.063 319 R HN 0.554 nan 8.270 nan 0.000 0.519 320 I N -2.226 118.587 120.570 0.406 0.000 2.828 320 I HA 0.388 4.558 4.170 -0.001 0.000 0.295 320 I C -2.781 173.465 176.117 0.215 0.000 1.459 320 I CA -2.868 58.630 61.300 0.330 0.000 1.015 320 I CB 2.418 40.591 38.000 0.289 0.000 1.345 320 I HN 0.396 nan 8.210 nan 0.000 0.449 321 P HA 0.367 nan 4.420 nan 0.000 0.272 321 P C -0.886 176.575 177.300 0.268 0.000 1.240 321 P CA 0.086 63.163 63.100 -0.039 0.000 0.791 321 P CB 1.002 32.618 31.700 -0.141 0.000 0.978 322 I N 0.121 120.879 120.570 0.313 0.000 2.466 322 I HA 0.380 4.550 4.170 -0.001 0.000 0.289 322 I C -0.348 175.910 176.117 0.236 0.000 1.026 322 I CA -0.553 60.893 61.300 0.244 0.000 1.078 322 I CB 1.375 39.400 38.000 0.041 0.000 1.249 322 I HN 0.291 nan 8.210 nan 0.000 0.429 323 W N 2.831 124.128 121.300 -0.006 0.000 2.703 323 W HA 0.559 5.218 4.660 -0.000 0.000 0.359 323 W C 0.534 176.960 176.519 -0.155 0.000 1.168 323 W CA -0.697 56.610 57.345 -0.063 0.000 1.177 323 W CB 1.409 30.822 29.460 -0.078 0.000 1.434 323 W HN 0.184 nan 8.180 nan 0.000 0.618 324 T N 1.434 115.995 114.554 0.010 0.000 3.585 324 T HA 0.571 4.921 4.350 -0.001 0.000 0.252 324 T C -0.557 174.104 174.700 -0.065 0.000 1.382 324 T CA -0.388 61.666 62.100 -0.078 0.000 1.584 324 T CB -0.939 67.847 68.868 -0.137 0.000 0.892 324 T HN 0.481 nan 8.240 nan 0.000 0.671 325 A N 1.618 124.437 122.820 -0.002 0.000 2.371 325 A HA 0.438 4.757 4.320 -0.001 0.000 0.257 325 A C 1.357 179.035 177.584 0.157 0.000 1.089 325 A CA -0.327 51.805 52.037 0.159 0.000 0.794 325 A CB 0.385 19.480 19.000 0.158 0.000 1.029 325 A HN 0.732 nan 8.150 nan 0.000 0.488 326 D N 0.540 121.162 120.400 0.371 0.000 2.355 326 D HA -0.167 4.473 4.640 -0.001 0.000 0.218 326 D C 0.927 177.373 176.300 0.243 0.000 1.004 326 D CA 1.142 55.321 54.000 0.298 0.000 0.880 326 D CB -0.516 40.487 40.800 0.339 0.000 0.911 326 D HN 0.768 nan 8.370 nan 0.000 0.528 327 Y N 0.270 120.675 120.300 0.175 0.000 2.578 327 Y HA 0.291 4.841 4.550 -0.001 0.000 0.297 327 Y C -0.021 175.943 175.900 0.105 0.000 1.176 327 Y CA -0.552 57.633 58.100 0.142 0.000 1.315 327 Y CB -0.214 38.340 38.460 0.158 0.000 1.031 327 Y HN -0.231 nan 8.280 nan 0.000 0.524 328 V N 3.564 123.281 119.914 -0.327 0.000 2.427 328 V HA 0.270 4.389 4.120 -0.001 0.000 0.286 328 V C 0.092 176.189 176.094 0.005 0.000 1.034 328 V CA -1.240 60.934 62.300 -0.211 0.000 0.893 328 V CB 1.538 33.177 31.823 -0.306 0.000 0.982 328 V HN 0.207 nan 8.190 nan 0.000 0.452 329 L N 3.512 124.785 121.223 0.084 0.000 2.343 329 L HA 0.435 4.775 4.340 -0.001 0.000 0.275 329 L C 0.737 177.729 176.870 0.203 0.000 1.056 329 L CA -0.389 54.539 54.840 0.147 0.000 0.804 329 L CB 0.923 43.072 42.059 0.149 0.000 1.203 329 L HN 0.633 nan 8.230 nan 0.000 0.440 330 F N 1.352 121.318 119.950 0.026 0.000 2.582 330 F HA 0.252 4.779 4.527 -0.001 0.000 0.290 330 F C 1.681 177.475 175.800 -0.011 0.000 1.115 330 F CA -0.239 57.750 58.000 -0.018 0.000 1.445 330 F CB 0.104 39.087 39.000 -0.027 0.000 1.126 330 F HN 0.449 nan 8.300 nan 0.000 0.574 331 G N 0.148 108.896 108.800 -0.088 0.000 3.452 331 G HA2 0.112 4.071 3.960 -0.001 0.000 0.258 331 G HA3 0.112 4.071 3.960 -0.001 0.000 0.258 331 G C -1.016 173.878 174.900 -0.009 0.000 1.305 331 G CA 0.173 45.177 45.100 -0.161 0.000 1.514 331 G HN 0.427 nan 8.290 nan 0.000 0.593 332 Y N -1.123 119.070 120.300 -0.178 0.000 2.409 332 Y HA 0.389 4.939 4.550 -0.001 0.000 0.321 332 Y C 0.858 176.665 175.900 -0.155 0.000 1.209 332 Y CA -0.143 57.856 58.100 -0.169 0.000 1.086 332 Y CB 0.712 39.086 38.460 -0.143 0.000 1.320 332 Y HN 0.695 nan 8.280 nan 0.000 0.440 333 G N 3.108 111.503 108.800 -0.675 0.000 2.595 333 G HA2 -0.428 3.532 3.960 -0.001 0.000 0.297 333 G HA3 -0.428 3.532 3.960 -0.001 0.000 0.297 333 G C 0.867 175.591 174.900 -0.294 0.000 1.181 333 G CA 1.453 46.121 45.100 -0.720 0.000 0.963 333 G HN 1.461 nan 8.290 nan 0.000 0.541 334 T N -1.885 112.568 114.554 -0.168 0.000 3.000 334 T HA 0.472 4.822 4.350 -0.001 0.000 0.248 334 T C 2.500 177.253 174.700 0.087 0.000 1.034 334 T CA 1.663 63.753 62.100 -0.017 0.000 1.060 334 T CB 0.577 69.468 68.868 0.039 0.000 0.983 334 T HN 2.754 nan 8.240 nan 0.000 0.482 335 G N 1.317 110.180 108.800 0.104 0.000 2.149 335 G HA2 0.246 4.205 3.960 -0.001 0.000 0.235 335 G HA3 0.246 4.205 3.960 -0.001 0.000 0.235 335 G C 0.090 175.095 174.900 0.175 0.000 1.018 335 G CA -0.251 44.991 45.100 0.237 0.000 0.728 335 G HN 1.470 nan 8.290 nan 0.000 0.508 336 A N -0.636 122.232 122.820 0.080 0.000 2.555 336 A HA 0.836 5.156 4.320 -0.001 0.000 0.297 336 A C -0.541 177.002 177.584 -0.067 0.000 1.060 336 A CA -0.172 51.876 52.037 0.018 0.000 0.710 336 A CB 1.166 20.208 19.000 0.069 0.000 1.282 336 A HN 1.723 nan 8.150 nan 0.000 0.399 337 I N -0.211 120.272 120.570 -0.145 0.000 2.582 337 I HA 0.683 4.853 4.170 -0.001 0.000 0.292 337 I C -0.054 175.891 176.117 -0.286 0.000 1.066 337 I CA -1.111 60.085 61.300 -0.173 0.000 1.053 337 I CB 2.161 40.070 38.000 -0.152 0.000 1.241 337 I HN 0.814 nan 8.210 nan 0.000 0.421 338 M N 3.676 123.084 119.600 -0.321 0.000 2.217 338 M HA 0.679 5.159 4.480 -0.001 0.000 0.352 338 M C -0.328 175.803 176.300 -0.283 0.000 1.376 338 M CA 0.254 55.311 55.300 -0.405 0.000 1.107 338 M CB 0.878 33.318 32.600 -0.267 0.000 1.723 338 M HN 0.742 nan 8.290 nan 0.000 0.461 339 A N 4.962 127.542 122.820 -0.399 0.000 2.394 339 A HA 0.614 4.934 4.320 -0.001 0.000 0.333 339 A C -0.534 176.741 177.584 -0.514 0.000 1.397 339 A CA -0.760 50.987 52.037 -0.482 0.000 0.884 339 A CB 0.479 19.021 19.000 -0.764 0.000 1.147 339 A HN 0.760 nan 8.150 nan 0.000 0.505 340 V N 5.110 124.892 119.914 -0.221 0.000 2.406 340 V HA 0.311 4.430 4.120 -0.001 0.000 0.272 340 V C -1.577 174.496 176.094 -0.035 0.000 1.043 340 V CA -0.895 61.349 62.300 -0.094 0.000 0.915 340 V CB 1.508 33.354 31.823 0.040 0.000 0.988 340 V HN 0.791 nan 8.190 nan 0.000 0.466 341 P HA 0.213 nan 4.420 nan 0.000 0.267 341 P C 0.706 178.112 177.300 0.176 0.000 1.289 341 P CA 0.158 63.341 63.100 0.138 0.000 0.866 341 P CB 0.758 32.584 31.700 0.212 0.000 1.309 342 A N -0.794 122.056 122.820 0.050 0.000 2.308 342 A HA 0.100 4.420 4.320 -0.001 0.000 0.217 342 A C 0.891 178.119 177.584 -0.594 0.000 1.216 342 A CA 0.517 52.437 52.037 -0.196 0.000 0.864 342 A CB -0.626 18.253 19.000 -0.203 0.000 0.902 342 A HN 0.173 nan 8.150 nan 0.000 0.499 343 H N -1.169 117.930 119.070 0.049 0.000 3.043 343 H HA 0.220 4.776 4.556 -0.001 0.000 0.244 343 H C -1.465 173.861 175.328 -0.004 0.000 1.199 343 H CA -0.054 56.005 56.048 0.017 0.000 0.956 343 H CB 0.488 30.255 29.762 0.008 0.000 2.305 343 H HN 0.528 nan 8.280 nan 0.000 0.665 344 D N 0.444 120.890 120.400 0.077 0.000 2.548 344 D HA 0.030 4.670 4.640 -0.001 0.000 0.214 344 D C 0.954 177.317 176.300 0.106 0.000 1.345 344 D CA -0.244 53.803 54.000 0.078 0.000 0.945 344 D CB 1.463 42.314 40.800 0.085 0.000 1.499 344 D HN -0.158 nan 8.370 nan 0.000 0.579 345 Q N 2.622 122.473 119.800 0.086 0.000 2.135 345 Q HA -0.114 4.226 4.340 -0.001 0.000 0.204 345 Q C 1.575 177.668 176.000 0.155 0.000 0.981 345 Q CA 1.823 57.705 55.803 0.131 0.000 0.856 345 Q CB 0.223 29.007 28.738 0.078 0.000 0.902 345 Q HN 0.543 nan 8.270 nan 0.000 0.425 346 R N 0.042 120.601 120.500 0.099 0.000 2.097 346 R HA -0.164 4.175 4.340 -0.001 0.000 0.236 346 R C 1.853 178.159 176.300 0.009 0.000 1.135 346 R CA 1.655 57.768 56.100 0.022 0.000 0.934 346 R CB -0.441 29.906 30.300 0.079 0.000 0.846 346 R HN 0.355 nan 8.270 nan 0.000 0.431 347 D N -0.376 120.101 120.400 0.128 0.000 2.144 347 D HA -0.163 4.477 4.640 -0.001 0.000 0.200 347 D C 1.597 178.047 176.300 0.250 0.000 0.978 347 D CA 0.927 55.046 54.000 0.198 0.000 0.833 347 D CB -0.399 40.468 40.800 0.112 0.000 0.961 347 D HN 0.269 nan 8.370 nan 0.000 0.470 348 Y N 1.840 122.190 120.300 0.083 0.000 2.053 348 Y HA -0.279 4.271 4.550 -0.000 0.000 0.277 348 Y C 2.128 178.066 175.900 0.064 0.000 1.159 348 Y CA 1.971 60.109 58.100 0.064 0.000 1.125 348 Y CB 0.001 38.472 38.460 0.020 0.000 0.969 348 Y HN -0.059 nan 8.280 nan 0.000 0.492 349 E N -0.663 119.550 120.200 0.020 0.000 2.204 349 E HA -0.226 4.124 4.350 -0.001 0.000 0.195 349 E C 1.855 178.384 176.600 -0.118 0.000 0.990 349 E CA 1.113 57.440 56.400 -0.121 0.000 0.821 349 E CB -0.322 29.368 29.700 -0.017 0.000 0.750 349 E HN 0.541 nan 8.360 nan 0.000 0.477 350 F N 0.735 120.616 119.950 -0.116 0.000 2.206 350 F HA -0.092 4.434 4.527 -0.001 0.000 0.298 350 F C 2.194 177.954 175.800 -0.067 0.000 1.090 350 F CA 1.159 59.147 58.000 -0.020 0.000 1.323 350 F CB -0.010 39.037 39.000 0.078 0.000 1.028 350 F HN -0.036 nan 8.300 nan 0.000 0.492 351 A N -0.160 122.733 122.820 0.123 0.000 1.929 351 A HA -0.107 4.212 4.320 -0.001 0.000 0.216 351 A C 2.327 179.773 177.584 -0.230 0.000 1.176 351 A CA 0.948 52.980 52.037 -0.007 0.000 0.628 351 A CB -0.545 18.544 19.000 0.147 0.000 0.816 351 A HN 0.226 nan 8.150 nan 0.000 0.444 352 R N -0.077 120.180 120.500 -0.405 0.000 2.115 352 R HA -0.076 4.264 4.340 -0.001 0.000 0.230 352 R C 2.078 178.157 176.300 -0.369 0.000 1.111 352 R CA 1.698 57.521 56.100 -0.461 0.000 0.976 352 R CB -0.252 29.654 30.300 -0.657 0.000 0.870 352 R HN 0.648 nan 8.270 nan 0.000 0.445 353 K N -0.596 119.543 120.400 -0.435 0.000 1.992 353 K HA -0.043 4.277 4.320 -0.001 0.000 0.210 353 K C 0.869 177.088 176.600 -0.635 0.000 1.036 353 K CA 1.091 57.012 56.287 -0.609 0.000 0.946 353 K CB -0.086 31.883 32.500 -0.885 0.000 0.742 353 K HN -0.033 nan 8.250 nan 0.000 0.442 354 F N 1.201 120.838 119.950 -0.521 0.000 2.811 354 F HA 0.243 4.770 4.527 -0.001 0.000 0.292 354 F C 1.125 176.712 175.800 -0.355 0.000 1.240 354 F CA 0.408 58.132 58.000 -0.460 0.000 1.422 354 F CB 0.088 38.611 39.000 -0.796 0.000 1.045 354 F HN 0.478 nan 8.300 nan 0.000 0.512 355 G N 0.561 109.261 108.800 -0.166 0.000 2.200 355 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.267 355 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.267 355 G C 0.337 175.162 174.900 -0.126 0.000 0.993 355 G CA -0.049 44.980 45.100 -0.118 0.000 0.701 355 G HN 0.396 nan 8.290 nan 0.000 0.524 356 L N 1.046 122.137 121.223 -0.219 0.000 2.369 356 L HA 0.276 4.615 4.340 -0.001 0.000 0.279 356 L C -1.549 175.316 176.870 -0.008 0.000 1.108 356 L CA -1.881 52.808 54.840 -0.251 0.000 0.852 356 L CB 0.397 41.977 42.059 -0.799 0.000 1.169 356 L HN -0.090 nan 8.230 nan 0.000 0.452 357 P HA 0.072 nan 4.420 nan 0.000 0.267 357 P C -0.558 176.833 177.300 0.153 0.000 1.201 357 P CA 0.283 63.437 63.100 0.091 0.000 0.775 357 P CB 0.624 32.379 31.700 0.092 0.000 0.854 358 I N 1.879 122.520 120.570 0.120 0.000 2.411 358 I HA 0.297 4.466 4.170 -0.001 0.000 0.284 358 I C 0.306 176.488 176.117 0.109 0.000 1.012 358 I CA -0.604 60.776 61.300 0.133 0.000 1.119 358 I CB 1.376 39.462 38.000 0.143 0.000 1.261 358 I HN 0.148 nan 8.210 nan 0.000 0.448 359 K N 7.108 127.577 120.400 0.114 0.000 2.274 359 K HA 0.387 4.707 4.320 -0.001 0.000 0.262 359 K C -0.551 176.126 176.600 0.130 0.000 0.961 359 K CA -0.774 55.582 56.287 0.115 0.000 0.833 359 K CB 1.372 33.950 32.500 0.131 0.000 1.102 359 K HN 0.429 nan 8.250 nan 0.000 0.436 360 K N 3.398 123.869 120.400 0.118 0.000 2.234 360 K HA 0.156 4.476 4.320 -0.001 0.000 0.282 360 K C 0.239 176.968 176.600 0.215 0.000 1.039 360 K CA -0.362 56.032 56.287 0.178 0.000 0.928 360 K CB 0.981 33.537 32.500 0.094 0.000 1.039 360 K HN 0.486 nan 8.250 nan 0.000 0.470 361 V N 1.461 121.574 119.914 0.332 0.000 3.359 361 V HA 0.323 4.443 4.120 -0.001 0.000 0.270 361 V C -0.104 175.977 176.094 -0.022 0.000 1.583 361 V CA -0.429 61.931 62.300 0.100 0.000 1.019 361 V CB 0.474 32.333 31.823 0.060 0.000 0.831 361 V HN 0.531 nan 8.190 nan 0.000 0.426 362 I N 2.490 123.040 120.570 -0.034 0.000 2.502 362 I HA 0.581 4.751 4.170 -0.001 0.000 0.276 362 I C -0.196 176.033 176.117 0.186 0.000 1.057 362 I CA -0.515 60.754 61.300 -0.052 0.000 1.163 362 I CB 0.744 38.560 38.000 -0.307 0.000 1.288 362 I HN 0.227 nan 8.210 nan 0.000 0.479 363 E N 5.307 125.559 120.200 0.087 0.000 2.338 363 E HA 0.213 4.563 4.350 -0.001 0.000 0.272 363 E C 0.124 176.740 176.600 0.025 0.000 1.029 363 E CA -0.264 56.155 56.400 0.032 0.000 0.872 363 E CB 0.952 30.649 29.700 -0.004 0.000 1.015 363 E HN 0.430 nan 8.360 nan 0.000 0.417 364 R N 4.313 124.735 120.500 -0.131 0.000 2.594 364 R HA 0.258 4.598 4.340 -0.001 0.000 0.272 364 R C -2.060 174.219 176.300 -0.036 0.000 1.074 364 R CA -1.533 54.485 56.100 -0.137 0.000 1.105 364 R CB 0.247 30.234 30.300 -0.522 0.000 1.008 364 R HN 0.406 nan 8.270 nan 0.000 0.472 365 P HA 0.070 nan 4.420 nan 0.000 0.268 365 P C 0.337 177.632 177.300 -0.009 0.000 1.205 365 P CA 0.661 63.769 63.100 0.014 0.000 0.771 365 P CB 1.029 32.751 31.700 0.035 0.000 0.858 366 G N 2.328 111.121 108.800 -0.012 0.000 4.862 366 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.344 366 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.344 366 G C 0.261 175.146 174.900 -0.026 0.000 1.365 366 G CA 0.252 45.343 45.100 -0.015 0.000 1.066 366 G HN 0.680 nan 8.290 nan 0.000 0.808 367 E N 3.432 123.613 120.200 -0.032 0.000 2.290 367 E HA 0.431 4.781 4.350 -0.001 0.000 0.277 367 E C -2.063 174.493 176.600 -0.074 0.000 1.035 367 E CA -1.643 54.730 56.400 -0.045 0.000 0.873 367 E CB 1.360 31.034 29.700 -0.043 0.000 1.029 367 E HN 0.320 nan 8.360 nan 0.000 0.419 368 P HA 0.188 nan 4.420 nan 0.000 0.283 368 P C -0.389 176.829 177.300 -0.136 0.000 1.271 368 P CA -0.511 62.528 63.100 -0.102 0.000 0.841 368 P CB 1.000 32.659 31.700 -0.068 0.000 1.122 369 L N 1.948 123.061 121.223 -0.183 0.000 2.483 369 L HA 0.216 4.555 4.340 -0.001 0.000 0.275 369 L C -1.403 175.400 176.870 -0.111 0.000 1.220 369 L CA -1.348 53.377 54.840 -0.192 0.000 0.833 369 L CB -0.543 41.378 42.059 -0.229 0.000 1.102 369 L HN 0.355 nan 8.230 nan 0.000 0.490 370 P HA 0.232 nan 4.420 nan 0.000 0.276 370 P C -1.298 175.974 177.300 -0.046 0.000 1.261 370 P CA -0.469 62.595 63.100 -0.060 0.000 0.800 370 P CB 1.218 32.886 31.700 -0.052 0.000 1.066 371 E N 0.402 120.585 120.200 -0.028 0.000 2.263 371 E HA 0.470 4.820 4.350 -0.001 0.000 0.268 371 E C -2.404 174.192 176.600 -0.007 0.000 0.884 371 E CA -1.805 54.587 56.400 -0.013 0.000 0.766 371 E CB 0.371 30.067 29.700 -0.008 0.000 1.196 371 E HN 0.301 nan 8.360 nan 0.000 0.416 372 P HA 0.218 nan 4.420 nan 0.000 0.271 372 P C -1.144 176.159 177.300 0.004 0.000 1.218 372 P CA -0.461 62.646 63.100 0.012 0.000 0.780 372 P CB 0.425 32.138 31.700 0.022 0.000 0.901 373 L N 2.107 123.334 121.223 0.007 0.000 2.331 373 L HA 0.156 4.496 4.340 -0.001 0.000 0.278 373 L C 1.355 178.241 176.870 0.026 0.000 1.106 373 L CA 0.652 55.475 54.840 -0.027 0.000 0.824 373 L CB 0.334 42.348 42.059 -0.075 0.000 1.142 373 L HN 0.454 nan 8.230 nan 0.000 0.443 374 E N 3.642 123.835 120.200 -0.011 0.000 2.526 374 E HA 0.174 4.524 4.350 -0.001 0.000 0.208 374 E C -0.093 176.501 176.600 -0.010 0.000 0.997 374 E CA -0.063 56.382 56.400 0.075 0.000 0.961 374 E CB 0.683 30.411 29.700 0.047 0.000 1.030 374 E HN 0.624 nan 8.360 nan 0.000 0.483 375 R N -0.779 119.521 120.500 -0.335 0.000 2.762 375 R HA 0.691 5.031 4.340 -0.001 0.000 0.271 375 R C -1.062 174.788 176.300 -0.750 0.000 1.038 375 R CA -0.813 54.916 56.100 -0.617 0.000 0.906 375 R CB 0.599 30.772 30.300 -0.212 0.000 1.259 375 R HN -0.064 nan 8.270 nan 0.000 0.457 376 A N 0.334 122.807 122.820 -0.578 0.000 2.296 376 A HA 0.383 4.702 4.320 -0.001 0.000 0.264 376 A C -1.311 176.221 177.584 -0.087 0.000 1.097 376 A CA -0.189 51.643 52.037 -0.341 0.000 0.811 376 A CB 0.197 19.092 19.000 -0.175 0.000 1.072 376 A HN 0.651 nan 8.150 nan 0.000 0.495 377 Y N 0.132 120.335 120.300 -0.161 0.000 2.705 377 Y HA 0.351 4.901 4.550 -0.000 0.000 0.355 377 Y C 0.653 176.604 175.900 0.084 0.000 1.039 377 Y CA -0.610 57.474 58.100 -0.026 0.000 1.233 377 Y CB 0.542 39.008 38.460 0.010 0.000 1.103 377 Y HN 0.883 nan 8.280 nan 0.000 0.624 378 E N 1.961 122.071 120.200 -0.151 0.000 2.158 378 E HA -0.083 4.266 4.350 -0.001 0.000 0.191 378 E C -0.045 176.360 176.600 -0.324 0.000 0.982 378 E CA 0.667 56.968 56.400 -0.166 0.000 0.823 378 E CB 0.341 29.996 29.700 -0.075 0.000 0.766 378 E HN 0.652 nan 8.360 nan 0.000 0.468 379 E N 1.641 121.556 120.200 -0.476 0.000 2.422 379 E HA 0.019 4.369 4.350 -0.001 0.000 0.260 379 E C -2.227 173.989 176.600 -0.639 0.000 1.108 379 E CA -0.919 55.211 56.400 -0.450 0.000 0.943 379 E CB 0.159 29.686 29.700 -0.288 0.000 0.961 379 E HN 0.046 nan 8.360 nan 0.000 0.443 380 P HA 0.442 nan 4.420 nan 0.000 0.285 380 P C -0.483 176.784 177.300 -0.056 0.000 1.280 380 P CA -0.450 62.527 63.100 -0.205 0.000 0.862 380 P CB 2.097 33.722 31.700 -0.125 0.000 1.153 381 G N 0.325 109.127 108.800 0.004 0.000 2.795 381 G HA2 0.416 4.375 3.960 -0.001 0.000 0.127 381 G HA3 0.416 4.375 3.960 -0.001 0.000 0.127 381 G C -1.339 173.575 174.900 0.023 0.000 1.203 381 G CA -0.411 44.731 45.100 0.070 0.000 1.145 381 G HN 0.387 nan 8.290 nan 0.000 0.580 382 I N 1.631 122.221 120.570 0.033 0.000 2.385 382 I HA 0.469 4.639 4.170 -0.001 0.000 0.294 382 I C 0.495 176.597 176.117 -0.024 0.000 0.988 382 I CA -0.642 60.656 61.300 -0.003 0.000 1.265 382 I CB 0.967 38.966 38.000 -0.002 0.000 1.388 382 I HN 0.385 nan 8.210 nan 0.000 0.480 383 M N 4.948 124.515 119.600 -0.054 0.000 2.233 383 M HA 0.422 4.902 4.480 -0.001 0.000 0.350 383 M C -0.171 176.079 176.300 -0.083 0.000 1.176 383 M CA 0.008 55.252 55.300 -0.093 0.000 1.150 383 M CB 1.604 34.127 32.600 -0.130 0.000 1.530 383 M HN 0.470 nan 8.290 nan 0.000 0.459 384 V N 3.012 122.871 119.914 -0.092 0.000 3.181 384 V HA 0.405 4.524 4.120 -0.001 0.000 0.308 384 V C -0.202 175.832 176.094 -0.099 0.000 1.214 384 V CA -0.532 61.722 62.300 -0.075 0.000 1.053 384 V CB 2.269 34.075 31.823 -0.028 0.000 1.069 384 V HN 0.976 nan 8.190 nan 0.000 0.441 385 N N 1.831 120.485 118.700 -0.076 0.000 2.721 385 N HA -0.145 4.594 4.740 -0.001 0.000 0.249 385 N C 0.231 175.661 175.510 -0.133 0.000 1.072 385 N CA 1.390 54.411 53.050 -0.048 0.000 0.710 385 N CB -0.899 37.602 38.487 0.023 0.000 0.993 385 N HN 0.692 nan 8.380 nan 0.000 0.547 386 S N -1.368 114.117 115.700 -0.358 0.000 2.977 386 S HA 0.463 4.933 4.470 -0.001 0.000 0.250 386 S C 1.165 175.292 174.600 -0.788 0.000 1.005 386 S CA 0.105 57.659 58.200 -1.078 0.000 1.081 386 S CB 1.066 63.468 63.200 -1.331 0.000 1.018 386 S HN 0.855 nan 8.310 nan 0.000 0.539 387 G N 3.716 112.357 108.800 -0.265 0.000 2.574 387 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.301 387 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.301 387 G C -1.641 173.161 174.900 -0.163 0.000 1.166 387 G CA 0.458 45.493 45.100 -0.107 0.000 0.971 387 G HN 0.388 nan 8.290 nan 0.000 0.542 388 P HA 0.176 nan 4.420 nan 0.000 0.233 388 P C 1.448 178.477 177.300 -0.451 0.000 1.167 388 P CA 1.167 64.063 63.100 -0.341 0.000 0.770 388 P CB -0.173 31.265 31.700 -0.437 0.000 0.837 389 F N 0.303 120.068 119.950 -0.308 0.000 2.512 389 F HA 0.065 4.592 4.527 -0.001 0.000 0.296 389 F C 0.692 176.349 175.800 -0.239 0.000 1.110 389 F CA 0.008 57.832 58.000 -0.293 0.000 1.446 389 F CB -1.161 37.595 39.000 -0.406 0.000 1.092 389 F HN -0.204 nan 8.300 nan 0.000 0.554 390 D N 0.816 121.160 120.400 -0.094 0.000 2.660 390 D HA 0.262 4.902 4.640 -0.001 0.000 0.253 390 D C 1.252 177.515 176.300 -0.062 0.000 1.256 390 D CA 1.584 55.529 54.000 -0.091 0.000 0.914 390 D CB -0.027 40.717 40.800 -0.094 0.000 1.137 390 D HN 0.469 nan 8.370 nan 0.000 0.542 391 G N 1.655 110.426 108.800 -0.048 0.000 2.380 391 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.197 391 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.197 391 G C 0.639 175.524 174.900 -0.024 0.000 1.001 391 G CA -0.064 45.015 45.100 -0.035 0.000 0.668 391 G HN 0.549 nan 8.290 nan 0.000 0.483 392 T N 2.685 117.230 114.554 -0.015 0.000 2.900 392 T HA 0.428 4.778 4.350 -0.001 0.000 0.307 392 T C 0.162 174.852 174.700 -0.018 0.000 1.065 392 T CA 0.018 62.117 62.100 -0.000 0.000 1.105 392 T CB 1.209 70.106 68.868 0.049 0.000 0.979 392 T HN 0.277 nan 8.240 nan 0.000 0.544 393 E N 1.443 121.635 120.200 -0.014 0.000 2.316 393 E HA 0.056 4.406 4.350 -0.001 0.000 0.275 393 E C 1.149 177.726 176.600 -0.038 0.000 1.029 393 E CA -0.123 56.264 56.400 -0.021 0.000 0.871 393 E CB 1.192 30.884 29.700 -0.014 0.000 1.022 393 E HN 0.667 nan 8.360 nan 0.000 0.418 394 S N 3.289 118.959 115.700 -0.051 0.000 2.387 394 S HA -0.199 4.271 4.470 -0.001 0.000 0.230 394 S C 1.348 175.905 174.600 -0.072 0.000 1.035 394 S CA 1.408 59.560 58.200 -0.080 0.000 1.014 394 S CB 0.121 63.265 63.200 -0.093 0.000 0.836 394 S HN 0.389 nan 8.310 nan 0.000 0.466 395 E N 0.965 121.134 120.200 -0.051 0.000 2.047 395 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 395 E C 2.088 178.668 176.600 -0.033 0.000 0.987 395 E CA 1.254 57.630 56.400 -0.042 0.000 0.799 395 E CB -0.646 29.037 29.700 -0.029 0.000 0.752 395 E HN 0.812 nan 8.360 nan 0.000 0.449 396 E N 0.540 120.727 120.200 -0.023 0.000 2.204 396 E HA -0.114 4.236 4.350 -0.001 0.000 0.194 396 E C 2.057 178.650 176.600 -0.011 0.000 0.989 396 E CA 0.875 57.270 56.400 -0.008 0.000 0.824 396 E CB -0.238 29.464 29.700 0.004 0.000 0.756 396 E HN 0.236 nan 8.360 nan 0.000 0.477 397 G N 1.692 110.468 108.800 -0.040 0.000 2.553 397 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.218 397 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.218 397 G C 1.411 176.256 174.900 -0.092 0.000 1.195 397 G CA 1.380 46.428 45.100 -0.086 0.000 0.779 397 G HN 0.241 nan 8.290 nan 0.000 0.577 398 K N 0.466 120.817 120.400 -0.082 0.000 1.998 398 K HA -0.253 4.067 4.320 -0.001 0.000 0.228 398 K C 2.724 179.301 176.600 -0.037 0.000 1.053 398 K CA 2.082 58.325 56.287 -0.073 0.000 0.988 398 K CB -0.359 32.102 32.500 -0.066 0.000 0.735 398 K HN 0.433 nan 8.250 nan 0.000 0.448 399 R N 1.408 121.900 120.500 -0.013 0.000 2.152 399 R HA -0.101 4.239 4.340 -0.001 0.000 0.232 399 R C 1.934 178.267 176.300 0.055 0.000 1.117 399 R CA 1.390 57.499 56.100 0.014 0.000 0.981 399 R CB -0.257 30.051 30.300 0.014 0.000 0.870 399 R HN 0.174 nan 8.270 nan 0.000 0.451 400 K N 0.923 121.366 120.400 0.072 0.000 1.973 400 K HA -0.032 4.288 4.320 -0.001 0.000 0.210 400 K C 2.196 178.934 176.600 0.229 0.000 1.045 400 K CA 1.506 57.891 56.287 0.162 0.000 0.937 400 K CB -0.128 32.500 32.500 0.213 0.000 0.721 400 K HN -0.006 nan 8.250 nan 0.000 0.438 401 V N 2.117 122.089 119.914 0.097 0.000 2.392 401 V HA -0.268 3.852 4.120 -0.001 0.000 0.249 401 V C 2.274 178.480 176.094 0.186 0.000 1.059 401 V CA 1.529 63.864 62.300 0.058 0.000 1.051 401 V CB -0.380 31.271 31.823 -0.288 0.000 0.658 401 V HN 0.323 nan 8.190 nan 0.000 0.455 402 I N 0.241 120.864 120.570 0.088 0.000 2.091 402 I HA -0.340 3.830 4.170 -0.001 0.000 0.239 402 I C 2.662 178.852 176.117 0.121 0.000 1.061 402 I CA 1.863 63.208 61.300 0.075 0.000 1.317 402 I CB -0.508 37.505 38.000 0.022 0.000 1.031 402 I HN 0.336 nan 8.210 nan 0.000 0.401 403 A N -0.329 122.575 122.820 0.140 0.000 1.908 403 A HA -0.299 4.020 4.320 -0.001 0.000 0.218 403 A C 2.067 179.766 177.584 0.193 0.000 1.181 403 A CA 1.743 53.862 52.037 0.137 0.000 0.627 403 A CB -1.329 17.750 19.000 0.131 0.000 0.818 403 A HN 0.697 nan 8.150 nan 0.000 0.445 404 W N 0.645 122.004 121.300 0.098 0.000 2.342 404 W HA -0.186 4.474 4.660 -0.000 0.000 0.297 404 W C 1.772 178.334 176.519 0.072 0.000 1.213 404 W CA 2.033 59.454 57.345 0.127 0.000 1.251 404 W CB -0.220 29.415 29.460 0.293 0.000 1.136 404 W HN 0.271 nan 8.180 nan 0.000 0.526 405 L N -0.147 121.157 121.223 0.135 0.000 2.023 405 L HA -0.153 4.187 4.340 -0.001 0.000 0.205 405 L C 2.409 179.215 176.870 -0.107 0.000 1.073 405 L CA 1.646 56.439 54.840 -0.078 0.000 0.745 405 L CB -1.189 40.893 42.059 0.037 0.000 0.900 405 L HN -0.072 nan 8.230 nan 0.000 0.435 406 E N 0.012 120.195 120.200 -0.028 0.000 2.253 406 E HA -0.324 4.025 4.350 -0.001 0.000 0.202 406 E C 1.879 178.441 176.600 -0.064 0.000 1.014 406 E CA 1.731 58.111 56.400 -0.033 0.000 0.823 406 E CB -0.010 29.689 29.700 -0.002 0.000 0.736 406 E HN 0.477 nan 8.360 nan 0.000 0.478 407 E N 1.020 121.163 120.200 -0.095 0.000 1.999 407 E HA -0.159 4.190 4.350 -0.001 0.000 0.194 407 E C 1.770 178.266 176.600 -0.173 0.000 0.995 407 E CA 0.831 57.155 56.400 -0.127 0.000 0.825 407 E CB 0.123 29.737 29.700 -0.145 0.000 0.777 407 E HN -0.109 nan 8.360 nan 0.000 0.459 408 K N -0.295 119.934 120.400 -0.285 0.000 2.520 408 K HA -0.098 4.222 4.320 -0.001 0.000 0.197 408 K C 0.880 177.364 176.600 -0.192 0.000 1.043 408 K CA 0.907 57.025 56.287 -0.283 0.000 0.944 408 K CB -0.161 32.068 32.500 -0.453 0.000 0.770 408 K HN 0.546 nan 8.250 nan 0.000 0.480 409 G N 0.985 109.694 108.800 -0.153 0.000 2.147 409 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.244 409 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.244 409 G C 0.573 175.416 174.900 -0.096 0.000 1.005 409 G CA 0.307 45.347 45.100 -0.101 0.000 0.713 409 G HN 0.323 nan 8.290 nan 0.000 0.515 410 L N -0.312 120.835 121.223 -0.126 0.000 2.567 410 L HA 0.532 4.872 4.340 -0.001 0.000 0.225 410 L C 1.529 178.365 176.870 -0.056 0.000 1.119 410 L CA 0.848 55.623 54.840 -0.108 0.000 0.871 410 L CB 0.233 42.193 42.059 -0.165 0.000 1.036 410 L HN 0.642 nan 8.230 nan 0.000 0.459 411 G N -0.217 108.558 108.800 -0.043 0.000 2.342 411 G HA2 0.420 4.380 3.960 -0.001 0.000 0.297 411 G HA3 0.420 4.380 3.960 -0.001 0.000 0.297 411 G C -1.901 172.993 174.900 -0.010 0.000 1.313 411 G CA -0.635 44.459 45.100 -0.010 0.000 0.830 411 G HN -0.038 nan 8.290 nan 0.000 0.506 412 K N -1.267 119.132 120.400 -0.002 0.000 2.571 412 K HA 0.715 5.035 4.320 -0.001 0.000 0.289 412 K C -0.274 176.320 176.600 -0.010 0.000 1.028 412 K CA -0.812 55.473 56.287 -0.004 0.000 0.895 412 K CB 1.596 34.095 32.500 -0.003 0.000 1.534 412 K HN 1.131 nan 8.250 nan 0.000 0.421 413 G N 0.534 109.328 108.800 -0.009 0.000 2.400 413 G HA2 0.608 4.568 3.960 -0.001 0.000 0.301 413 G HA3 0.608 4.568 3.960 -0.001 0.000 0.301 413 G C -0.954 173.944 174.900 -0.003 0.000 1.154 413 G CA -0.478 44.610 45.100 -0.020 0.000 0.852 413 G HN 0.541 nan 8.290 nan 0.000 0.511 414 R N 0.137 120.642 120.500 0.009 0.000 2.733 414 R HA 0.525 4.865 4.340 -0.001 0.000 0.272 414 R C -1.783 174.581 176.300 0.107 0.000 1.029 414 R CA -0.671 55.461 56.100 0.053 0.000 0.888 414 R CB 2.214 32.565 30.300 0.085 0.000 1.251 414 R HN 0.373 nan 8.270 nan 0.000 0.464 415 V N 2.307 122.227 119.914 0.009 0.000 2.380 415 V HA 0.206 4.326 4.120 -0.001 0.000 0.268 415 V C 0.060 175.883 176.094 -0.452 0.000 1.008 415 V CA -0.748 61.473 62.300 -0.132 0.000 0.823 415 V CB 0.933 32.617 31.823 -0.232 0.000 1.053 415 V HN 0.941 nan 8.190 nan 0.000 0.446 416 T N 0.622 114.923 114.554 -0.421 0.000 2.860 416 T HA 0.519 4.869 4.350 -0.001 0.000 0.299 416 T C -0.663 173.710 174.700 -0.545 0.000 1.045 416 T CA -0.030 61.736 62.100 -0.557 0.000 1.071 416 T CB 0.920 69.272 68.868 -0.860 0.000 0.985 416 T HN 0.289 nan 8.240 nan 0.000 0.537 417 Y N -0.215 120.052 120.300 -0.055 0.000 2.446 417 Y HA 0.474 5.023 4.550 -0.001 0.000 0.345 417 Y C 1.547 177.426 175.900 -0.036 0.000 0.984 417 Y CA -1.515 56.565 58.100 -0.033 0.000 1.058 417 Y CB 1.912 40.351 38.460 -0.036 0.000 1.220 417 Y HN 0.592 nan 8.280 nan 0.000 0.455 418 R N 0.951 121.441 120.500 -0.016 0.000 2.189 418 R HA -0.063 4.276 4.340 -0.001 0.000 0.223 418 R C 0.119 176.231 176.300 -0.313 0.000 1.092 418 R CA 0.359 56.267 56.100 -0.319 0.000 0.989 418 R CB -0.061 29.938 30.300 -0.502 0.000 0.876 418 R HN 0.412 nan 8.270 nan 0.000 0.457 419 L N 2.460 123.568 121.223 -0.192 0.000 2.513 419 L HA -0.015 4.324 4.340 -0.001 0.000 0.272 419 L C -0.177 176.670 176.870 -0.039 0.000 1.187 419 L CA 0.774 55.525 54.840 -0.148 0.000 0.895 419 L CB 0.280 42.315 42.059 -0.040 0.000 1.147 419 L HN -0.010 nan 8.230 nan 0.000 0.483 420 R N 3.955 124.452 120.500 -0.005 0.000 2.514 420 R HA 0.392 4.731 4.340 -0.001 0.000 0.301 420 R C -0.712 175.690 176.300 0.169 0.000 0.962 420 R CA -1.084 55.056 56.100 0.066 0.000 0.882 420 R CB 0.988 31.325 30.300 0.061 0.000 1.143 420 R HN 0.558 nan 8.270 nan 0.000 0.452 421 D N 1.175 121.686 120.400 0.186 0.000 2.419 421 D HA -0.119 4.521 4.640 -0.001 0.000 0.236 421 D C -0.387 176.154 176.300 0.402 0.000 1.165 421 D CA 0.481 54.630 54.000 0.249 0.000 0.882 421 D CB 0.582 41.522 40.800 0.233 0.000 1.201 421 D HN 0.371 nan 8.370 nan 0.000 0.443 422 W N 4.219 125.578 121.300 0.099 0.000 2.433 422 W HA 0.309 4.968 4.660 -0.000 0.000 0.331 422 W C -0.838 175.674 176.519 -0.012 0.000 1.110 422 W CA -0.886 56.499 57.345 0.067 0.000 1.450 422 W CB -0.543 28.904 29.460 -0.022 0.000 1.348 422 W HN 0.219 nan 8.180 nan 0.000 0.415 423 L N 8.229 129.527 121.223 0.124 0.000 2.453 423 L HA 0.081 4.421 4.340 -0.001 0.000 0.272 423 L C 1.346 178.074 176.870 -0.237 0.000 1.182 423 L CA 0.379 55.020 54.840 -0.331 0.000 0.858 423 L CB 0.677 42.543 42.059 -0.322 0.000 1.120 423 L HN 0.638 nan 8.230 nan 0.000 0.474 424 I N -1.220 119.187 120.570 -0.272 0.000 4.541 424 I HA 0.200 4.370 4.170 -0.001 0.000 0.337 424 I C 0.190 176.275 176.117 -0.053 0.000 1.338 424 I CA -0.377 60.809 61.300 -0.190 0.000 1.244 424 I CB 0.512 38.328 38.000 -0.308 0.000 1.417 424 I HN 0.437 nan 8.210 nan 0.000 0.501 425 S N 3.415 119.110 115.700 -0.009 0.000 2.488 425 S HA 0.476 4.946 4.470 -0.001 0.000 0.278 425 S C -0.001 174.612 174.600 0.022 0.000 1.259 425 S CA -0.572 57.661 58.200 0.055 0.000 1.061 425 S CB 0.617 63.925 63.200 0.180 0.000 0.910 425 S HN 0.257 nan 8.310 nan 0.000 0.491 426 R N 2.175 122.677 120.500 0.002 0.000 2.637 426 R HA 0.356 4.695 4.340 -0.001 0.000 0.291 426 R C -0.729 175.573 176.300 0.003 0.000 0.963 426 R CA -0.756 55.341 56.100 -0.005 0.000 0.901 426 R CB 1.214 31.506 30.300 -0.013 0.000 1.160 426 R HN 0.572 nan 8.270 nan 0.000 0.457 427 Q N 2.309 122.116 119.800 0.010 0.000 3.091 427 Q HA 0.286 4.626 4.340 -0.001 0.000 0.301 427 Q C -0.508 175.518 176.000 0.043 0.000 1.337 427 Q CA 0.028 55.863 55.803 0.053 0.000 1.083 427 Q CB 0.455 29.258 28.738 0.109 0.000 1.477 427 Q HN 0.064 nan 8.270 nan 0.000 0.537 428 R N -0.318 120.196 120.500 0.023 0.000 2.698 428 R HA 0.162 4.501 4.340 -0.001 0.000 0.275 428 R C -0.199 176.117 176.300 0.027 0.000 1.001 428 R CA -0.741 55.384 56.100 0.041 0.000 0.896 428 R CB 0.436 30.751 30.300 0.026 0.000 1.218 428 R HN 0.351 nan 8.270 nan 0.000 0.462 429 Y N 1.299 121.582 120.300 -0.029 0.000 2.163 429 Y HA 0.016 4.565 4.550 -0.001 0.000 0.288 429 Y C 0.358 176.199 175.900 -0.100 0.000 1.136 429 Y CA 1.181 59.246 58.100 -0.058 0.000 1.147 429 Y CB 0.289 38.753 38.460 0.007 0.000 0.987 429 Y HN 0.524 nan 8.280 nan 0.000 0.509 430 W N 3.300 124.388 121.300 -0.354 0.000 2.485 430 W HA 0.423 5.082 4.660 -0.001 0.000 0.315 430 W C -0.306 175.689 176.519 -0.874 0.000 1.304 430 W CA 0.809 57.785 57.345 -0.614 0.000 1.345 430 W CB 0.121 29.448 29.460 -0.222 0.000 1.368 430 W HN 0.398 nan 8.180 nan 0.000 0.497 431 G N 2.674 110.273 108.800 -2.000 0.000 2.312 431 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.347 431 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.347 431 G C -0.971 173.254 174.900 -1.125 0.000 1.564 431 G CA -1.172 43.022 45.100 -1.510 0.000 0.981 431 G HN 0.177 nan 8.290 nan 0.000 0.678 432 T N 3.550 117.782 114.554 -0.536 0.000 2.867 432 T HA 0.409 4.758 4.350 -0.001 0.000 0.297 432 T C -2.132 172.283 174.700 -0.475 0.000 0.989 432 T CA 0.149 62.002 62.100 -0.412 0.000 1.159 432 T CB 0.875 69.586 68.868 -0.263 0.000 0.928 432 T HN 0.357 nan 8.240 nan 0.000 0.538 433 P HA 0.194 nan 4.420 nan 0.000 0.271 433 P C 0.016 177.097 177.300 -0.365 0.000 1.226 433 P CA -0.297 62.609 63.100 -0.323 0.000 0.765 433 P CB 0.200 31.797 31.700 -0.172 0.000 0.835 434 I N 6.441 126.756 120.570 -0.424 0.000 2.618 434 I HA 0.057 4.227 4.170 -0.001 0.000 0.284 434 I C -1.500 174.254 176.117 -0.605 0.000 1.146 434 I CA -1.546 59.312 61.300 -0.736 0.000 1.425 434 I CB 0.592 38.020 38.000 -0.953 0.000 1.383 434 I HN 0.209 nan 8.210 nan 0.000 0.562 435 P HA 0.250 nan 4.420 nan 0.000 0.214 435 P C -0.914 176.139 177.300 -0.413 0.000 1.826 435 P CA -0.047 62.803 63.100 -0.415 0.000 0.977 435 P CB 0.208 31.723 31.700 -0.308 0.000 1.930 436 M N 0.638 119.982 119.600 -0.426 0.000 2.378 436 M HA 0.345 4.824 4.480 -0.001 0.000 0.289 436 M C -0.751 175.348 176.300 -0.335 0.000 1.136 436 M CA -0.977 54.095 55.300 -0.381 0.000 0.917 436 M CB 2.666 35.032 32.600 -0.389 0.000 1.669 436 M HN -0.263 nan 8.290 nan 0.000 0.461 437 V N 2.026 121.758 119.914 -0.304 0.000 2.769 437 V HA 0.457 4.576 4.120 -0.001 0.000 0.312 437 V C -0.185 175.732 176.094 -0.296 0.000 1.058 437 V CA -0.772 61.379 62.300 -0.249 0.000 0.952 437 V CB 1.999 33.734 31.823 -0.147 0.000 1.019 437 V HN 0.675 nan 8.190 nan 0.000 0.445 438 H N 1.682 120.737 119.070 -0.025 0.000 2.640 438 H HA 0.293 4.849 4.556 -0.001 0.000 0.297 438 H C -0.039 175.279 175.328 -0.017 0.000 1.073 438 H CA -0.245 55.795 56.048 -0.013 0.000 1.305 438 H CB 1.354 31.107 29.762 -0.015 0.000 1.404 438 H HN 0.775 nan 8.280 nan 0.000 0.459 439 C N 2.843 122.189 119.300 0.076 0.000 2.403 439 C HA 0.113 4.572 4.460 -0.001 0.000 0.361 439 C C 1.989 177.012 174.990 0.055 0.000 1.274 439 C CA -0.146 58.901 59.018 0.048 0.000 2.433 439 C CB 0.609 28.364 27.740 0.025 0.000 2.323 439 C HN 0.962 nan 8.230 nan 0.000 0.614 440 E N 0.082 120.304 120.200 0.038 0.000 2.330 440 E HA 0.189 4.538 4.350 -0.001 0.000 0.200 440 E C 1.721 178.337 176.600 0.027 0.000 0.922 440 E CA 0.804 57.222 56.400 0.030 0.000 0.935 440 E CB 0.197 29.911 29.700 0.024 0.000 0.917 440 E HN 0.798 nan 8.360 nan 0.000 0.491 441 A N -0.058 122.778 122.820 0.026 0.000 1.871 441 A HA -0.023 4.297 4.320 -0.001 0.000 0.211 441 A C 1.845 179.447 177.584 0.029 0.000 1.207 441 A CA 0.656 52.707 52.037 0.024 0.000 0.620 441 A CB -0.210 18.802 19.000 0.020 0.000 0.860 441 A HN 0.407 nan 8.150 nan 0.000 0.450 442 C N -0.258 119.061 119.300 0.031 0.000 2.525 442 C HA 0.545 5.005 4.460 -0.001 0.000 0.313 442 C C 1.693 176.713 174.990 0.051 0.000 1.311 442 C CA -0.325 58.716 59.018 0.038 0.000 1.725 442 C CB -1.587 26.173 27.740 0.032 0.000 1.926 442 C HN 1.050 nan 8.230 nan 0.000 0.595 443 G N 1.011 109.843 108.800 0.054 0.000 2.552 443 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.267 443 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.267 443 G C -0.393 174.553 174.900 0.076 0.000 1.174 443 G CA 0.129 45.272 45.100 0.071 0.000 0.955 443 G HN 0.455 nan 8.290 nan 0.000 0.546 444 V N 1.170 121.128 119.914 0.073 0.000 2.325 444 V HA 0.564 4.684 4.120 -0.001 0.000 0.280 444 V C 0.223 176.251 176.094 -0.110 0.000 1.016 444 V CA -0.453 61.849 62.300 0.005 0.000 0.818 444 V CB 1.261 33.114 31.823 0.049 0.000 1.019 444 V HN 0.837 nan 8.190 nan 0.000 0.434 445 V N 8.040 127.870 119.914 -0.141 0.000 2.427 445 V HA 0.455 4.575 4.120 -0.001 0.000 0.286 445 V C -1.779 174.155 176.094 -0.267 0.000 1.034 445 V CA -1.766 60.440 62.300 -0.157 0.000 0.893 445 V CB 1.835 33.614 31.823 -0.074 0.000 0.982 445 V HN 0.646 nan 8.190 nan 0.000 0.452 446 P HA 0.160 nan 4.420 nan 0.000 0.272 446 P C -0.577 176.604 177.300 -0.198 0.000 1.254 446 P CA -0.085 62.804 63.100 -0.352 0.000 0.795 446 P CB 0.768 32.250 31.700 -0.363 0.000 1.022 447 V N 1.433 121.241 119.914 -0.177 0.000 2.532 447 V HA 0.308 4.428 4.120 -0.001 0.000 0.295 447 V C -1.991 174.059 176.094 -0.074 0.000 1.041 447 V CA -1.767 60.460 62.300 -0.122 0.000 0.926 447 V CB 0.794 32.537 31.823 -0.134 0.000 0.992 447 V HN 0.562 nan 8.190 nan 0.000 0.457 448 P HA 0.158 nan 4.420 nan 0.000 0.271 448 P C 0.753 178.051 177.300 -0.003 0.000 1.218 448 P CA -0.146 62.944 63.100 -0.016 0.000 0.780 448 P CB 0.803 32.498 31.700 -0.008 0.000 0.901 449 E N 2.127 122.340 120.200 0.022 0.000 2.049 449 E HA -0.271 4.079 4.350 -0.001 0.000 0.198 449 E C 1.370 178.013 176.600 0.071 0.000 1.007 449 E CA 1.522 57.962 56.400 0.066 0.000 0.809 449 E CB 0.029 29.793 29.700 0.107 0.000 0.749 449 E HN 0.583 nan 8.360 nan 0.000 0.450 450 E N 0.061 120.295 120.200 0.056 0.000 2.418 450 E HA -0.203 4.146 4.350 -0.001 0.000 0.197 450 E C 1.734 178.344 176.600 0.016 0.000 1.026 450 E CA 0.825 57.251 56.400 0.044 0.000 0.862 450 E CB -0.122 29.603 29.700 0.043 0.000 0.799 450 E HN 0.375 nan 8.360 nan 0.000 0.518 451 E N 0.817 121.020 120.200 0.004 0.000 2.274 451 E HA 0.018 4.368 4.350 -0.001 0.000 0.194 451 E C 0.549 177.136 176.600 -0.020 0.000 0.996 451 E CA -0.125 56.269 56.400 -0.011 0.000 0.840 451 E CB 0.132 29.818 29.700 -0.023 0.000 0.772 451 E HN 0.224 nan 8.360 nan 0.000 0.491 452 L N 2.310 123.520 121.223 -0.023 0.000 2.499 452 L HA 0.077 4.417 4.340 -0.001 0.000 0.281 452 L C -1.911 174.921 176.870 -0.064 0.000 1.234 452 L CA -1.394 53.419 54.840 -0.045 0.000 0.839 452 L CB -0.255 41.773 42.059 -0.052 0.000 1.104 452 L HN 0.075 nan 8.230 nan 0.000 0.500 453 P HA 0.182 nan 4.420 nan 0.000 0.282 453 P C -0.898 176.417 177.300 0.025 0.000 1.259 453 P CA -0.514 62.578 63.100 -0.015 0.000 0.826 453 P CB 1.128 32.851 31.700 0.039 0.000 1.064 454 V N 3.151 123.073 119.914 0.012 0.000 2.276 454 V HA 0.031 4.151 4.120 -0.001 0.000 0.249 454 V C 0.507 176.648 176.094 0.077 0.000 1.160 454 V CA -0.288 62.027 62.300 0.024 0.000 1.042 454 V CB -0.918 30.883 31.823 -0.038 0.000 1.224 454 V HN 0.370 nan 8.190 nan 0.000 0.496 455 L N 4.377 125.684 121.223 0.141 0.000 2.483 455 L HA 0.153 4.492 4.340 -0.001 0.000 0.276 455 L C 0.422 177.354 176.870 0.103 0.000 1.213 455 L CA 0.459 55.401 54.840 0.170 0.000 0.843 455 L CB 0.115 42.275 42.059 0.169 0.000 1.107 455 L HN 0.387 nan 8.230 nan 0.000 0.487 456 L N 4.130 125.339 121.223 -0.024 0.000 2.456 456 L HA 0.145 4.485 4.340 -0.001 0.000 0.272 456 L C -1.684 175.165 176.870 -0.036 0.000 1.189 456 L CA -1.486 53.244 54.840 -0.184 0.000 0.846 456 L CB 0.431 42.312 42.059 -0.297 0.000 1.111 456 L HN 0.535 nan 8.230 nan 0.000 0.475 457 P HA 0.031 nan 4.420 nan 0.000 0.271 457 P C -1.065 176.326 177.300 0.151 0.000 1.233 457 P CA -0.295 62.815 63.100 0.016 0.000 0.789 457 P CB 0.458 32.093 31.700 -0.108 0.000 0.951 458 D N 1.002 121.478 120.400 0.126 0.000 2.198 458 D HA 0.399 5.038 4.640 -0.001 0.000 0.245 458 D C -1.113 175.216 176.300 0.049 0.000 1.079 458 D CA 0.002 54.098 54.000 0.160 0.000 0.854 458 D CB 0.542 41.415 40.800 0.122 0.000 1.148 458 D HN 0.037 nan 8.370 nan 0.000 0.456 459 L N 3.827 125.061 121.223 0.019 0.000 2.457 459 L HA 0.248 4.588 4.340 -0.001 0.000 0.266 459 L C 0.999 177.834 176.870 -0.058 0.000 0.979 459 L CA -0.225 54.543 54.840 -0.121 0.000 0.857 459 L CB 1.711 43.516 42.059 -0.424 0.000 1.213 459 L HN 0.286 nan 8.230 nan 0.000 0.418 460 K N 0.286 120.643 120.400 -0.072 0.000 2.374 460 K HA 0.140 4.460 4.320 -0.001 0.000 0.196 460 K C -0.112 176.446 176.600 -0.070 0.000 1.023 460 K CA -0.130 56.072 56.287 -0.141 0.000 1.103 460 K CB 0.466 32.881 32.500 -0.142 0.000 0.848 460 K HN 0.394 nan 8.250 nan 0.000 0.528 461 D N 1.106 121.491 120.400 -0.025 0.000 2.352 461 D HA 0.018 4.658 4.640 -0.001 0.000 0.245 461 D C 1.092 177.395 176.300 0.006 0.000 1.224 461 D CA -0.143 53.853 54.000 -0.007 0.000 0.879 461 D CB 1.205 42.008 40.800 0.006 0.000 1.057 461 D HN -0.246 nan 8.370 nan 0.000 0.491 462 V N 4.012 123.937 119.914 0.018 0.000 2.332 462 V HA -0.216 3.904 4.120 -0.001 0.000 0.248 462 V C 1.792 177.880 176.094 -0.010 0.000 1.055 462 V CA 1.665 63.979 62.300 0.024 0.000 1.038 462 V CB -0.525 31.306 31.823 0.014 0.000 0.651 462 V HN 0.599 nan 8.190 nan 0.000 0.450 463 E N -0.535 119.659 120.200 -0.010 0.000 2.463 463 E HA -0.078 4.271 4.350 -0.001 0.000 0.191 463 E C 1.452 178.051 176.600 -0.002 0.000 1.083 463 E CA 0.277 56.670 56.400 -0.012 0.000 0.872 463 E CB 0.063 29.755 29.700 -0.013 0.000 0.966 463 E HN 0.641 nan 8.360 nan 0.000 0.491 464 D N 0.708 121.108 120.400 0.000 0.000 2.320 464 D HA -0.085 4.554 4.640 -0.001 0.000 0.228 464 D C 1.845 178.148 176.300 0.006 0.000 0.978 464 D CA 0.562 54.574 54.000 0.020 0.000 0.905 464 D CB 0.013 40.841 40.800 0.046 0.000 1.051 464 D HN 0.261 nan 8.370 nan 0.000 0.471 465 I N -1.119 119.417 120.570 -0.056 0.000 3.241 465 I HA 0.027 4.196 4.170 -0.001 0.000 0.280 465 I C 0.919 177.028 176.117 -0.013 0.000 1.320 465 I CA 0.002 61.244 61.300 -0.097 0.000 1.413 465 I CB -0.533 37.294 38.000 -0.288 0.000 1.060 465 I HN -0.117 nan 8.210 nan 0.000 0.500 466 R N 4.142 124.639 120.500 -0.006 0.000 2.504 466 R HA 0.110 4.450 4.340 -0.001 0.000 0.291 466 R C -2.198 174.126 176.300 0.040 0.000 0.974 466 R CA -1.129 54.976 56.100 0.009 0.000 1.077 466 R CB 0.253 30.552 30.300 -0.001 0.000 0.926 466 R HN 0.150 nan 8.270 nan 0.000 0.407 467 P HA 0.148 nan 4.420 nan 0.000 0.281 467 P C -1.025 176.333 177.300 0.098 0.000 1.286 467 P CA -0.112 63.036 63.100 0.080 0.000 0.772 467 P CB 1.121 32.863 31.700 0.069 0.000 0.862 468 K N 1.896 122.364 120.400 0.114 0.000 2.308 468 K HA 0.268 4.588 4.320 -0.001 0.000 0.197 468 K C 1.427 178.122 176.600 0.158 0.000 1.049 468 K CA 0.839 57.193 56.287 0.112 0.000 0.991 468 K CB 0.327 32.877 32.500 0.085 0.000 0.836 468 K HN 0.654 nan 8.250 nan 0.000 0.500 469 G N 0.102 109.031 108.800 0.214 0.000 4.366 469 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.194 469 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.194 469 G C -0.547 174.525 174.900 0.288 0.000 1.275 469 G CA -0.596 44.669 45.100 0.276 0.000 0.847 469 G HN -0.027 nan 8.290 nan 0.000 0.299 470 K N 1.094 121.601 120.400 0.178 0.000 2.106 470 K HA 0.615 4.935 4.320 -0.001 0.000 0.246 470 K C 0.003 176.698 176.600 0.159 0.000 0.987 470 K CA -0.248 56.137 56.287 0.163 0.000 0.904 470 K CB 1.789 34.352 32.500 0.106 0.000 1.071 470 K HN 0.203 nan 8.250 nan 0.000 0.453 471 S N 1.601 117.390 115.700 0.149 0.000 2.575 471 S HA 0.026 4.496 4.470 -0.001 0.000 0.295 471 S C -1.769 172.921 174.600 0.149 0.000 1.267 471 S CA -1.088 57.196 58.200 0.140 0.000 1.074 471 S CB 0.275 63.554 63.200 0.132 0.000 0.829 471 S HN 0.269 nan 8.310 nan 0.000 0.497 472 P HA -0.037 nan 4.420 nan 0.000 0.226 472 P C 0.972 178.385 177.300 0.189 0.000 1.146 472 P CA 0.865 64.056 63.100 0.152 0.000 0.773 472 P CB 0.075 31.855 31.700 0.134 0.000 0.772 473 L N -0.891 120.437 121.223 0.176 0.000 2.270 473 L HA -0.058 4.282 4.340 -0.001 0.000 0.210 473 L C 2.358 179.450 176.870 0.369 0.000 1.104 473 L CA 0.880 55.837 54.840 0.195 0.000 0.804 473 L CB -0.651 41.459 42.059 0.086 0.000 0.937 473 L HN -0.037 nan 8.230 nan 0.000 0.450 474 E N 0.799 121.198 120.200 0.331 0.000 2.070 474 E HA -0.261 4.089 4.350 -0.001 0.000 0.197 474 E C 2.250 179.082 176.600 0.387 0.000 1.004 474 E CA 1.507 58.136 56.400 0.381 0.000 0.805 474 E CB -0.153 29.671 29.700 0.207 0.000 0.744 474 E HN 0.463 nan 8.360 nan 0.000 0.451 475 A N 1.432 124.412 122.820 0.266 0.000 2.139 475 A HA -0.155 4.164 4.320 -0.001 0.000 0.221 475 A C 0.790 178.350 177.584 -0.039 0.000 1.159 475 A CA 1.011 53.119 52.037 0.119 0.000 0.662 475 A CB -0.505 18.542 19.000 0.078 0.000 0.796 475 A HN 0.243 nan 8.150 nan 0.000 0.463 476 H N -1.181 117.955 119.070 0.110 0.000 2.697 476 H HA 0.196 4.752 4.556 -0.001 0.000 0.270 476 H C -2.065 173.195 175.328 -0.113 0.000 1.188 476 H CA -1.781 54.285 56.048 0.031 0.000 1.322 476 H CB 1.112 30.904 29.762 0.051 0.000 1.405 476 H HN 0.216 nan 8.280 nan 0.000 0.502 477 P HA -0.210 nan 4.420 nan 0.000 0.215 477 P C 1.825 178.711 177.300 -0.690 0.000 1.157 477 P CA 1.048 63.528 63.100 -1.033 0.000 0.863 477 P CB 0.375 31.775 31.700 -0.500 0.000 0.787 478 E N -0.013 120.044 120.200 -0.239 0.000 2.169 478 E HA -0.271 4.079 4.350 -0.001 0.000 0.202 478 E C 1.913 178.496 176.600 -0.029 0.000 1.016 478 E CA 1.437 57.780 56.400 -0.096 0.000 0.817 478 E CB -1.640 28.060 29.700 0.000 0.000 0.736 478 E HN 0.241 nan 8.360 nan 0.000 0.462 479 F N 3.023 122.905 119.950 -0.112 0.000 2.026 479 F HA -0.244 4.283 4.527 -0.001 0.000 0.296 479 F C 2.568 178.372 175.800 0.007 0.000 1.133 479 F CA 2.168 60.154 58.000 -0.024 0.000 1.188 479 F CB -0.971 38.055 39.000 0.044 0.000 0.968 479 F HN 0.127 nan 8.300 nan 0.000 0.476 480 Y N -0.065 120.191 120.300 -0.073 0.000 2.457 480 Y HA 0.228 4.777 4.550 -0.001 0.000 0.292 480 Y C 0.789 176.620 175.900 -0.115 0.000 1.125 480 Y CA -0.088 57.890 58.100 -0.204 0.000 1.254 480 Y CB -1.917 36.542 38.460 -0.002 0.000 1.012 480 Y HN 0.096 nan 8.280 nan 0.000 0.555 481 E N 2.196 122.338 120.200 -0.097 0.000 1.939 481 E HA 0.102 4.452 4.350 -0.001 0.000 0.259 481 E C -0.281 176.304 176.600 -0.025 0.000 1.259 481 E CA 0.270 56.665 56.400 -0.007 0.000 0.971 481 E CB 0.113 29.762 29.700 -0.085 0.000 1.055 481 E HN 0.374 nan 8.360 nan 0.000 0.420 482 T N 0.967 115.519 114.554 -0.004 0.000 2.696 482 T HA 0.398 4.747 4.350 -0.001 0.000 0.291 482 T C -0.236 174.457 174.700 -0.013 0.000 1.095 482 T CA -0.567 61.513 62.100 -0.033 0.000 1.026 482 T CB 1.512 70.331 68.868 -0.082 0.000 1.390 482 T HN 0.346 nan 8.240 nan 0.000 0.513 483 T N -0.434 114.107 114.554 -0.022 0.000 2.884 483 T HA 0.603 4.953 4.350 -0.001 0.000 0.277 483 T C 0.221 174.906 174.700 -0.024 0.000 0.976 483 T CA -0.635 61.456 62.100 -0.014 0.000 0.956 483 T CB 0.402 69.263 68.868 -0.012 0.000 1.113 483 T HN 0.696 nan 8.240 nan 0.000 0.554 484 C N 1.897 121.187 119.300 -0.017 0.000 2.362 484 C HA 0.579 5.039 4.460 -0.001 0.000 0.363 484 C C -1.033 173.943 174.990 -0.023 0.000 1.220 484 C CA -1.035 57.969 59.018 -0.024 0.000 2.379 484 C CB 0.740 28.472 27.740 -0.013 0.000 2.351 484 C HN 0.804 nan 8.230 nan 0.000 0.582 485 P HA 0.143 nan 4.420 nan 0.000 0.274 485 P C 0.508 177.803 177.300 -0.008 0.000 1.352 485 P CA 0.526 63.614 63.100 -0.020 0.000 0.947 485 P CB 0.110 31.793 31.700 -0.029 0.000 1.437 486 K N -0.101 120.296 120.400 -0.005 0.000 2.262 486 K HA 0.048 4.368 4.320 -0.001 0.000 0.200 486 K C 1.448 178.052 176.600 0.008 0.000 1.058 486 K CA 1.318 57.609 56.287 0.005 0.000 0.974 486 K CB 0.195 32.700 32.500 0.010 0.000 0.910 486 K HN 0.235 nan 8.250 nan 0.000 0.484 487 C N -3.966 115.337 119.300 0.006 0.000 2.845 487 C HA 0.631 5.090 4.460 -0.001 0.000 0.393 487 C C 1.429 176.421 174.990 0.005 0.000 1.712 487 C CA 0.366 59.388 59.018 0.007 0.000 2.337 487 C CB 0.825 28.571 27.740 0.010 0.000 2.312 487 C HN 0.422 nan 8.230 nan 0.000 0.623 488 G N 0.663 109.465 108.800 0.003 0.000 2.407 488 G HA2 0.349 4.309 3.960 -0.001 0.000 0.210 488 G HA3 0.349 4.309 3.960 -0.001 0.000 0.210 488 G C 0.346 175.248 174.900 0.005 0.000 1.015 488 G CA 0.274 45.375 45.100 0.002 0.000 0.807 488 G HN 1.068 nan 8.290 nan 0.000 0.539 489 G N 0.192 108.997 108.800 0.007 0.000 2.588 489 G HA2 0.626 4.585 3.960 -0.001 0.000 0.278 489 G HA3 0.626 4.585 3.960 -0.001 0.000 0.278 489 G C -1.670 173.239 174.900 0.014 0.000 1.307 489 G CA -0.738 44.369 45.100 0.011 0.000 1.016 489 G HN 0.170 nan 8.290 nan 0.000 0.503 490 P HA 0.381 nan 4.420 nan 0.000 0.269 490 P C -0.736 176.584 177.300 0.033 0.000 1.209 490 P CA 0.110 63.227 63.100 0.029 0.000 0.776 490 P CB 1.254 32.974 31.700 0.033 0.000 0.876 491 A N 1.876 124.723 122.820 0.044 0.000 2.509 491 A HA 0.375 4.695 4.320 -0.001 0.000 0.282 491 A C -0.593 177.037 177.584 0.077 0.000 1.054 491 A CA -0.737 51.325 52.037 0.041 0.000 0.820 491 A CB 0.861 19.866 19.000 0.008 0.000 1.333 491 A HN 0.492 nan 8.150 nan 0.000 0.409 492 K N 3.510 123.961 120.400 0.086 0.000 2.264 492 K HA 0.377 4.697 4.320 -0.001 0.000 0.277 492 K C 0.050 176.695 176.600 0.076 0.000 1.067 492 K CA -0.516 55.829 56.287 0.098 0.000 0.900 492 K CB 0.464 32.916 32.500 -0.081 0.000 1.124 492 K HN 0.810 nan 8.250 nan 0.000 0.469 493 R N 2.206 122.732 120.500 0.044 0.000 2.811 493 R HA -0.071 4.268 4.340 -0.001 0.000 0.265 493 R C -0.044 176.303 176.300 0.079 0.000 1.026 493 R CA -0.083 55.977 56.100 -0.066 0.000 1.142 493 R CB 0.239 30.327 30.300 -0.354 0.000 1.027 493 R HN 0.644 nan 8.270 nan 0.000 0.465 494 D N 0.463 120.902 120.400 0.066 0.000 2.390 494 D HA -0.031 4.609 4.640 -0.001 0.000 0.249 494 D C 0.845 177.287 176.300 0.236 0.000 1.144 494 D CA 0.222 54.352 54.000 0.217 0.000 0.880 494 D CB 1.063 41.962 40.800 0.165 0.000 1.182 494 D HN 0.557 nan 8.370 nan 0.000 0.451 495 T N -0.310 114.390 114.554 0.243 0.000 3.107 495 T HA 0.093 4.443 4.350 -0.001 0.000 0.249 495 T C 0.481 175.282 174.700 0.169 0.000 1.096 495 T CA -0.237 62.029 62.100 0.276 0.000 1.012 495 T CB 0.146 69.148 68.868 0.224 0.000 0.977 495 T HN 0.217 nan 8.240 nan 0.000 0.527 496 D N 2.196 122.675 120.400 0.132 0.000 2.437 496 D HA 0.473 5.113 4.640 -0.001 0.000 0.259 496 D C 0.322 176.586 176.300 -0.060 0.000 1.118 496 D CA -0.029 54.010 54.000 0.065 0.000 1.017 496 D CB 2.007 42.891 40.800 0.139 0.000 1.120 496 D HN 0.464 nan 8.370 nan 0.000 0.541 497 T N -2.990 111.500 114.554 -0.107 0.000 2.864 497 T HA 0.617 4.967 4.350 -0.001 0.000 0.289 497 T C -0.125 174.451 174.700 -0.206 0.000 1.082 497 T CA -0.918 61.049 62.100 -0.222 0.000 1.009 497 T CB 1.258 69.957 68.868 -0.282 0.000 1.234 497 T HN 0.195 nan 8.240 nan 0.000 0.526 498 M N 2.192 121.634 119.600 -0.263 0.000 2.233 498 M HA 0.320 4.800 4.480 -0.001 0.000 0.355 498 M C -0.033 176.239 176.300 -0.047 0.000 1.191 498 M CA -0.692 54.501 55.300 -0.178 0.000 1.101 498 M CB 0.964 33.360 32.600 -0.341 0.000 1.592 498 M HN 0.746 nan 8.290 nan 0.000 0.461 499 D N 1.362 121.803 120.400 0.069 0.000 2.400 499 D HA -0.040 4.600 4.640 -0.001 0.000 0.238 499 D C 1.048 177.516 176.300 0.280 0.000 1.157 499 D CA 0.499 54.599 54.000 0.166 0.000 0.889 499 D CB 1.254 42.196 40.800 0.237 0.000 1.199 499 D HN 0.709 nan 8.370 nan 0.000 0.436 500 T N 2.130 116.843 114.554 0.265 0.000 2.833 500 T HA -0.181 4.169 4.350 -0.001 0.000 0.269 500 T C 1.797 176.771 174.700 0.457 0.000 1.054 500 T CA 1.018 63.317 62.100 0.331 0.000 1.135 500 T CB -0.461 68.580 68.868 0.288 0.000 0.869 500 T HN 0.378 nan 8.240 nan 0.000 0.466 501 F N 0.584 120.827 119.950 0.488 0.000 2.307 501 F HA 0.066 4.593 4.527 -0.000 0.000 0.301 501 F C 1.729 177.894 175.800 0.609 0.000 1.076 501 F CA 0.328 58.662 58.000 0.556 0.000 1.383 501 F CB -0.796 38.539 39.000 0.558 0.000 1.055 501 F HN 0.243 nan 8.300 nan 0.000 0.526 502 F N 1.762 122.056 119.950 0.574 0.000 2.046 502 F HA -0.276 4.251 4.527 -0.000 0.000 0.297 502 F C 2.466 178.498 175.800 0.386 0.000 1.123 502 F CA 2.187 60.430 58.000 0.406 0.000 1.199 502 F CB -0.716 38.441 39.000 0.262 0.000 0.972 502 F HN 0.060 nan 8.300 nan 0.000 0.474 503 D N -0.712 120.180 120.400 0.821 0.000 2.218 503 D HA -0.128 4.511 4.640 -0.001 0.000 0.204 503 D C 1.097 177.708 176.300 0.518 0.000 0.976 503 D CA 1.222 55.672 54.000 0.751 0.000 0.853 503 D CB -0.980 40.200 40.800 0.634 0.000 0.939 503 D HN 0.335 nan 8.370 nan 0.000 0.481 504 S N 0.019 116.052 115.700 0.556 0.000 3.812 504 S HA 0.413 4.882 4.470 -0.001 0.000 0.195 504 S C 0.034 175.033 174.600 0.664 0.000 1.460 504 S CA -0.686 57.868 58.200 0.590 0.000 1.052 504 S CB 0.258 63.748 63.200 0.482 0.000 1.385 504 S HN 0.013 nan 8.310 nan 0.000 0.490 505 S N 2.164 118.052 115.700 0.312 0.000 2.530 505 S HA 0.242 4.712 4.470 -0.001 0.000 0.203 505 S C -0.303 174.209 174.600 -0.148 0.000 0.787 505 S CA -0.689 57.521 58.200 0.016 0.000 1.015 505 S CB -0.335 62.624 63.200 -0.400 0.000 1.687 505 S HN 0.964 nan 8.310 nan 0.000 0.484 506 W N -0.530 120.270 121.300 -0.832 0.000 0.490 506 W HA -0.208 4.451 4.660 -0.001 0.000 0.132 506 W C 0.569 176.529 176.519 -0.932 0.000 0.584 506 W CA 0.441 57.055 57.345 -1.218 0.000 0.145 506 W CB -1.631 27.638 29.460 -0.318 0.000 0.617 506 W HN 0.464 nan 8.180 nan 0.000 0.302 507 Y N 3.076 122.741 120.300 -1.060 0.000 2.173 507 Y HA -0.354 4.196 4.550 -0.001 0.000 0.282 507 Y C 2.647 178.109 175.900 -0.730 0.000 1.192 507 Y CA 2.988 60.545 58.100 -0.904 0.000 1.176 507 Y CB -1.903 36.238 38.460 -0.531 0.000 0.969 507 Y HN 0.109 nan 8.280 nan 0.000 0.519 508 Y N -0.367 119.332 120.300 -1.002 0.000 2.193 508 Y HA -0.194 4.355 4.550 -0.000 0.000 0.285 508 Y C 2.077 177.889 175.900 -0.147 0.000 1.166 508 Y CA 1.317 59.116 58.100 -0.501 0.000 1.181 508 Y CB -1.395 36.755 38.460 -0.515 0.000 0.976 508 Y HN 0.259 nan 8.280 nan 0.000 0.520 509 L N -0.392 120.673 121.223 -0.264 0.000 2.179 509 L HA -0.028 4.311 4.340 -0.001 0.000 0.208 509 L C 2.775 179.507 176.870 -0.230 0.000 1.096 509 L CA 1.029 55.721 54.840 -0.245 0.000 0.779 509 L CB -0.319 41.508 42.059 -0.386 0.000 0.922 509 L HN 0.118 nan 8.230 nan 0.000 0.443 510 R N -0.505 119.902 120.500 -0.155 0.000 2.081 510 R HA -0.209 4.131 4.340 -0.001 0.000 0.235 510 R C 2.121 178.408 176.300 -0.022 0.000 1.131 510 R CA 1.640 57.703 56.100 -0.063 0.000 0.960 510 R CB -0.684 29.409 30.300 -0.345 0.000 0.856 510 R HN 0.159 nan 8.270 nan 0.000 0.436 511 Y N 0.699 120.957 120.300 -0.071 0.000 2.283 511 Y HA -0.244 4.305 4.550 -0.001 0.000 0.285 511 Y C 2.436 178.216 175.900 -0.199 0.000 1.176 511 Y CA 1.795 59.827 58.100 -0.112 0.000 1.229 511 Y CB -1.161 37.266 38.460 -0.055 0.000 0.975 511 Y HN 0.376 nan 8.280 nan 0.000 0.537 512 T N -3.095 111.447 114.554 -0.019 0.000 2.995 512 T HA -0.085 4.265 4.350 -0.001 0.000 0.269 512 T C 0.477 175.182 174.700 0.009 0.000 1.091 512 T CA 1.416 63.481 62.100 -0.058 0.000 1.128 512 T CB -0.076 68.801 68.868 0.015 0.000 0.891 512 T HN 0.173 nan 8.240 nan 0.000 0.492 513 D N 0.988 121.395 120.400 0.011 0.000 3.250 513 D HA 0.254 4.893 4.640 -0.001 0.000 0.252 513 D C -2.518 173.764 176.300 -0.030 0.000 1.342 513 D CA -1.205 52.801 54.000 0.010 0.000 0.807 513 D CB 1.232 42.081 40.800 0.082 0.000 1.449 513 D HN 0.082 nan 8.370 nan 0.000 0.610 514 P HA 0.116 nan 4.420 nan 0.000 0.257 514 P C 0.072 177.297 177.300 -0.126 0.000 1.325 514 P CA 0.287 63.310 63.100 -0.128 0.000 0.850 514 P CB -0.113 31.485 31.700 -0.170 0.000 1.324 515 H N -2.690 116.446 119.070 0.109 0.000 3.058 515 H HA 0.173 4.728 4.556 -0.001 0.000 0.266 515 H C 0.694 176.092 175.328 0.116 0.000 1.135 515 H CA -0.624 55.493 56.048 0.116 0.000 1.174 515 H CB 0.175 29.991 29.762 0.090 0.000 1.581 515 H HN -0.010 nan 8.280 nan 0.000 0.553 516 N N 2.973 121.762 118.700 0.148 0.000 2.417 516 N HA -0.091 4.649 4.740 -0.001 0.000 0.272 516 N C 0.370 175.994 175.510 0.191 0.000 1.304 516 N CA 0.436 53.531 53.050 0.075 0.000 0.906 516 N CB 0.479 38.913 38.487 -0.089 0.000 1.135 516 N HN 0.575 nan 8.380 nan 0.000 0.483 517 D N 2.933 123.474 120.400 0.236 0.000 2.325 517 D HA 0.031 4.671 4.640 -0.001 0.000 0.225 517 D C 0.489 177.020 176.300 0.386 0.000 1.096 517 D CA -0.052 54.164 54.000 0.360 0.000 0.844 517 D CB 0.469 41.388 40.800 0.198 0.000 0.925 517 D HN 0.320 nan 8.370 nan 0.000 0.513 518 R N -0.176 120.471 120.500 0.246 0.000 2.276 518 R HA 0.404 4.744 4.340 -0.001 0.000 0.195 518 R C 0.729 177.000 176.300 -0.048 0.000 0.908 518 R CA 0.146 56.347 56.100 0.168 0.000 1.083 518 R CB 1.054 31.374 30.300 0.032 0.000 1.182 518 R HN 0.194 nan 8.270 nan 0.000 0.608 519 L N 0.105 120.944 121.223 -0.640 0.000 2.303 519 L HA 0.390 4.730 4.340 -0.001 0.000 0.256 519 L C -1.854 173.616 176.870 -2.332 0.000 1.034 519 L CA -2.233 51.763 54.840 -1.407 0.000 0.832 519 L CB 2.407 43.910 42.059 -0.926 0.000 1.403 519 L HN -0.251 nan 8.230 nan 0.000 0.419 520 P HA -0.088 nan 4.420 nan 0.000 0.221 520 P C -0.881 176.120 177.300 -0.498 0.000 1.145 520 P CA 1.334 63.558 63.100 -1.459 0.000 0.795 520 P CB 0.069 31.146 31.700 -1.039 0.000 0.775 521 F N -5.201 114.416 119.950 -0.554 0.000 2.728 521 F HA 0.353 4.880 4.527 -0.001 0.000 0.315 521 F C -1.441 174.224 175.800 -0.225 0.000 1.096 521 F CA -1.796 56.039 58.000 -0.274 0.000 0.997 521 F CB 0.021 38.959 39.000 -0.103 0.000 1.252 521 F HN -0.437 nan 8.300 nan 0.000 0.458 522 D N 4.158 124.568 120.400 0.016 0.000 2.382 522 D HA 0.340 4.979 4.640 -0.001 0.000 0.259 522 D C -1.692 174.713 176.300 0.176 0.000 1.224 522 D CA -1.771 52.233 54.000 0.007 0.000 0.894 522 D CB 1.466 42.274 40.800 0.012 0.000 1.127 522 D HN 0.263 nan 8.370 nan 0.000 0.487 523 P HA -0.185 nan 4.420 nan 0.000 0.216 523 P C 1.060 178.444 177.300 0.139 0.000 1.150 523 P CA 0.916 64.152 63.100 0.226 0.000 0.843 523 P CB 0.144 31.904 31.700 0.100 0.000 0.787 524 E N -0.073 120.171 120.200 0.073 0.000 2.219 524 E HA -0.256 4.094 4.350 -0.001 0.000 0.198 524 E C 1.543 178.163 176.600 0.033 0.000 0.998 524 E CA 1.218 57.638 56.400 0.034 0.000 0.818 524 E CB -0.028 29.680 29.700 0.014 0.000 0.741 524 E HN 0.177 nan 8.360 nan 0.000 0.477 525 K N -0.177 120.271 120.400 0.079 0.000 2.044 525 K HA 0.014 4.334 4.320 -0.001 0.000 0.204 525 K C 2.227 178.902 176.600 0.125 0.000 1.045 525 K CA 0.796 57.144 56.287 0.102 0.000 0.951 525 K CB -0.383 32.196 32.500 0.132 0.000 0.738 525 K HN 0.109 nan 8.250 nan 0.000 0.443 526 A N 2.923 125.812 122.820 0.115 0.000 1.873 526 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 526 A C 1.917 179.539 177.584 0.063 0.000 1.193 526 A CA 2.037 54.085 52.037 0.020 0.000 0.629 526 A CB -0.682 18.261 19.000 -0.095 0.000 0.826 526 A HN 0.283 nan 8.150 nan 0.000 0.447 527 N N 0.163 118.897 118.700 0.058 0.000 2.364 527 N HA -0.048 4.692 4.740 -0.001 0.000 0.183 527 N C 1.655 177.150 175.510 -0.024 0.000 1.022 527 N CA 1.266 54.333 53.050 0.029 0.000 0.883 527 N CB -0.518 37.985 38.487 0.026 0.000 0.965 527 N HN 0.513 nan 8.380 nan 0.000 0.438 528 A N -1.145 121.627 122.820 -0.079 0.000 2.067 528 A HA -0.043 4.277 4.320 -0.001 0.000 0.219 528 A C 1.622 178.933 177.584 -0.455 0.000 1.158 528 A CA 0.783 52.651 52.037 -0.282 0.000 0.661 528 A CB -0.419 18.365 19.000 -0.360 0.000 0.801 528 A HN 0.403 nan 8.150 nan 0.000 0.452 529 W N -1.919 119.349 121.300 -0.053 0.000 3.298 529 W HA 0.343 5.003 4.660 -0.001 0.000 0.239 529 W C 0.802 177.358 176.519 0.061 0.000 1.082 529 W CA -0.642 56.662 57.345 -0.069 0.000 1.711 529 W CB -0.018 29.282 29.460 -0.266 0.000 0.944 529 W HN -0.072 nan 8.180 nan 0.000 0.712 530 M N 3.408 123.199 119.600 0.319 0.000 2.252 530 M HA 0.035 4.515 4.480 -0.001 0.000 0.321 530 M C -1.728 174.645 176.300 0.121 0.000 1.070 530 M CA -0.885 54.549 55.300 0.224 0.000 1.143 530 M CB -0.781 31.879 32.600 0.100 0.000 1.498 530 M HN -0.231 nan 8.290 nan 0.000 0.445 531 P HA 0.146 nan 4.420 nan 0.000 0.274 531 P C -0.606 176.748 177.300 0.090 0.000 1.260 531 P CA -0.483 62.624 63.100 0.012 0.000 0.793 531 P CB 0.383 32.064 31.700 -0.032 0.000 1.048 532 V N 1.647 121.506 119.914 -0.092 0.000 2.572 532 V HA -0.027 4.092 4.120 -0.001 0.000 0.291 532 V C 1.078 177.156 176.094 -0.026 0.000 1.039 532 V CA 0.700 62.872 62.300 -0.214 0.000 1.055 532 V CB -0.128 31.424 31.823 -0.451 0.000 0.969 532 V HN 0.476 nan 8.190 nan 0.000 0.482 533 D N 2.574 122.994 120.400 0.033 0.000 2.234 533 D HA 0.043 4.682 4.640 -0.001 0.000 0.205 533 D C 0.614 176.935 176.300 0.035 0.000 0.962 533 D CA 0.779 54.806 54.000 0.044 0.000 0.855 533 D CB 0.139 40.962 40.800 0.039 0.000 0.951 533 D HN 0.514 nan 8.370 nan 0.000 0.500 534 Q N -0.559 119.251 119.800 0.017 0.000 2.334 534 Q HA 0.248 4.587 4.340 -0.001 0.000 0.249 534 Q C -1.987 174.038 176.000 0.041 0.000 0.909 534 Q CA -0.576 55.244 55.803 0.029 0.000 0.823 534 Q CB 0.981 29.726 28.738 0.012 0.000 1.353 534 Q HN 0.063 nan 8.270 nan 0.000 0.433 535 Y N 3.871 124.067 120.300 -0.174 0.000 2.417 535 Y HA 0.543 5.093 4.550 -0.001 0.000 0.336 535 Y C -1.163 174.587 175.900 -0.249 0.000 0.961 535 Y CA -1.559 56.361 58.100 -0.301 0.000 1.215 535 Y CB 0.584 38.709 38.460 -0.558 0.000 1.120 535 Y HN 0.670 nan 8.280 nan 0.000 0.499 536 I N 5.525 125.938 120.570 -0.261 0.000 2.304 536 I HA 0.651 4.821 4.170 -0.001 0.000 0.291 536 I C 0.298 176.171 176.117 -0.407 0.000 1.018 536 I CA 0.551 61.703 61.300 -0.246 0.000 1.260 536 I CB 0.435 38.329 38.000 -0.176 0.000 1.390 536 I HN 0.730 nan 8.210 nan 0.000 0.475 537 G N 3.876 112.468 108.800 -0.346 0.000 2.510 537 G HA2 0.652 4.612 3.960 -0.001 0.000 0.277 537 G HA3 0.652 4.612 3.960 -0.001 0.000 0.277 537 G C -1.106 173.647 174.900 -0.244 0.000 1.223 537 G CA -0.111 44.754 45.100 -0.391 0.000 0.887 537 G HN 0.763 nan 8.290 nan 0.000 0.485 538 G N -1.712 106.954 108.800 -0.223 0.000 2.642 538 G HA2 0.597 4.556 3.960 -0.001 0.000 0.293 538 G HA3 0.597 4.556 3.960 -0.001 0.000 0.293 538 G C 0.643 175.464 174.900 -0.133 0.000 1.341 538 G CA 0.414 45.420 45.100 -0.156 0.000 0.916 538 G HN 1.121 nan 8.290 nan 0.000 0.474 539 V N 0.761 120.609 119.914 -0.109 0.000 2.626 539 V HA -0.103 4.017 4.120 -0.001 0.000 0.252 539 V C 2.614 178.664 176.094 -0.074 0.000 1.067 539 V CA 2.037 64.286 62.300 -0.085 0.000 1.081 539 V CB -0.537 31.246 31.823 -0.067 0.000 0.686 539 V HN 0.867 nan 8.190 nan 0.000 0.468 540 E N 0.315 120.446 120.200 -0.114 0.000 2.455 540 E HA -0.268 4.082 4.350 -0.001 0.000 0.202 540 E C 1.068 177.599 176.600 -0.116 0.000 1.045 540 E CA 1.332 57.656 56.400 -0.127 0.000 0.872 540 E CB -0.474 29.124 29.700 -0.169 0.000 0.792 540 E HN 0.687 nan 8.360 nan 0.000 0.542 541 H N -0.422 118.654 119.070 0.011 0.000 2.528 541 H HA 0.442 4.998 4.556 -0.001 0.000 0.282 541 H C 1.483 176.769 175.328 -0.069 0.000 1.097 541 H CA 0.242 56.306 56.048 0.027 0.000 1.121 541 H CB 0.662 30.481 29.762 0.096 0.000 1.590 541 H HN 0.295 nan 8.280 nan 0.000 0.553 542 A N 0.778 123.602 122.820 0.007 0.000 1.978 542 A HA -0.105 4.215 4.320 -0.001 0.000 0.220 542 A C 1.960 179.468 177.584 -0.127 0.000 1.170 542 A CA 2.022 54.041 52.037 -0.030 0.000 0.636 542 A CB -0.294 18.685 19.000 -0.034 0.000 0.810 542 A HN 0.255 nan 8.150 nan 0.000 0.448 543 V N -4.227 115.503 119.914 -0.307 0.000 3.159 543 V HA 0.499 4.619 4.120 -0.001 0.000 0.333 543 V C 1.024 176.603 176.094 -0.858 0.000 1.424 543 V CA 0.141 62.082 62.300 -0.597 0.000 1.125 543 V CB -0.197 31.091 31.823 -0.891 0.000 1.075 543 V HN 0.314 nan 8.190 nan 0.000 0.482 544 L N -0.442 120.345 121.223 -0.726 0.000 3.087 544 L HA 0.384 4.723 4.340 -0.001 0.000 0.169 544 L C 2.366 178.557 176.870 -1.132 0.000 1.276 544 L CA 1.029 55.137 54.840 -1.220 0.000 0.865 544 L CB -0.349 41.142 42.059 -0.947 0.000 1.368 544 L HN 0.445 nan 8.230 nan 0.000 0.548 545 H N 0.110 118.849 119.070 -0.551 0.000 2.403 545 H HA 0.041 4.596 4.556 -0.001 0.000 0.298 545 H C 1.882 177.208 175.328 -0.004 0.000 1.059 545 H CA 1.436 57.380 56.048 -0.173 0.000 1.363 545 H CB 0.125 29.805 29.762 -0.137 0.000 1.410 545 H HN 0.118 nan 8.280 nan 0.000 0.528 546 L N -0.159 121.039 121.223 -0.041 0.000 2.478 546 L HA -0.023 4.317 4.340 -0.001 0.000 0.223 546 L C 1.766 178.682 176.870 0.076 0.000 1.140 546 L CA 0.047 54.966 54.840 0.132 0.000 0.842 546 L CB -0.096 42.096 42.059 0.221 0.000 0.953 546 L HN 0.291 nan 8.230 nan 0.000 0.452 547 L N -1.419 119.693 121.223 -0.185 0.000 2.187 547 L HA -0.014 4.326 4.340 -0.001 0.000 0.197 547 L C 2.367 179.160 176.870 -0.129 0.000 1.090 547 L CA 1.621 56.336 54.840 -0.209 0.000 0.781 547 L CB -0.803 41.015 42.059 -0.402 0.000 0.956 547 L HN 0.020 nan 8.230 nan 0.000 0.463 548 Y N 0.203 120.314 120.300 -0.315 0.000 2.069 548 Y HA -0.257 4.292 4.550 -0.000 0.000 0.278 548 Y C 2.942 178.904 175.900 0.103 0.000 1.175 548 Y CA 1.443 59.374 58.100 -0.281 0.000 1.134 548 Y CB -1.567 36.469 38.460 -0.706 0.000 0.965 548 Y HN 0.181 nan 8.280 nan 0.000 0.498 549 S N -0.263 115.506 115.700 0.115 0.000 2.374 549 S HA -0.245 4.225 4.470 -0.001 0.000 0.227 549 S C 2.119 176.835 174.600 0.194 0.000 1.037 549 S CA 1.666 59.957 58.200 0.151 0.000 1.024 549 S CB -0.249 62.951 63.200 -0.000 0.000 0.861 549 S HN 0.441 nan 8.310 nan 0.000 0.456 550 R N -0.127 120.430 120.500 0.095 0.000 2.066 550 R HA -0.036 4.304 4.340 -0.001 0.000 0.232 550 R C 2.175 178.533 176.300 0.097 0.000 1.131 550 R CA 1.553 57.667 56.100 0.022 0.000 0.955 550 R CB -0.628 29.667 30.300 -0.008 0.000 0.851 550 R HN 0.495 nan 8.270 nan 0.000 0.432 551 F N 1.134 121.099 119.950 0.026 0.000 2.091 551 F HA -0.244 4.282 4.527 -0.001 0.000 0.299 551 F C 1.785 177.561 175.800 -0.040 0.000 1.103 551 F CA 1.343 59.292 58.000 -0.084 0.000 1.228 551 F CB -0.553 38.388 39.000 -0.098 0.000 0.984 551 F HN -0.129 nan 8.300 nan 0.000 0.477 552 F N 1.098 120.783 119.950 -0.441 0.000 2.095 552 F HA -0.213 4.313 4.527 -0.001 0.000 0.298 552 F C 2.597 178.340 175.800 -0.095 0.000 1.104 552 F CA 2.349 60.137 58.000 -0.353 0.000 1.232 552 F CB -1.077 37.909 39.000 -0.023 0.000 0.987 552 F HN -0.061 nan 8.300 nan 0.000 0.475 553 T N -0.570 114.098 114.554 0.191 0.000 2.915 553 T HA -0.140 4.210 4.350 -0.001 0.000 0.269 553 T C 1.862 176.607 174.700 0.075 0.000 1.071 553 T CA 1.070 63.253 62.100 0.139 0.000 1.132 553 T CB -0.124 68.751 68.868 0.013 0.000 0.878 553 T HN 0.207 nan 8.240 nan 0.000 0.479 554 K N 0.564 120.987 120.400 0.039 0.000 2.007 554 K HA 0.048 4.368 4.320 -0.001 0.000 0.206 554 K C 1.934 178.645 176.600 0.185 0.000 1.047 554 K CA 1.117 57.492 56.287 0.147 0.000 0.937 554 K CB -0.331 32.314 32.500 0.242 0.000 0.718 554 K HN 0.325 nan 8.250 nan 0.000 0.438 555 F N 1.826 121.649 119.950 -0.211 0.000 2.269 555 F HA -0.095 4.431 4.527 -0.001 0.000 0.301 555 F C 1.561 177.289 175.800 -0.121 0.000 1.082 555 F CA 1.035 58.905 58.000 -0.217 0.000 1.360 555 F CB -0.018 38.575 39.000 -0.677 0.000 1.041 555 F HN -0.080 nan 8.300 nan 0.000 0.512 556 L N -0.300 120.771 121.223 -0.253 0.000 2.109 556 L HA -0.204 4.135 4.340 -0.001 0.000 0.207 556 L C 2.720 179.520 176.870 -0.117 0.000 1.086 556 L CA 1.454 56.156 54.840 -0.231 0.000 0.760 556 L CB -1.070 41.061 42.059 0.119 0.000 0.910 556 L HN 0.336 nan 8.230 nan 0.000 0.437 557 H N 0.274 119.297 119.070 -0.079 0.000 2.457 557 H HA -0.159 4.397 4.556 -0.001 0.000 0.294 557 H C 1.002 176.287 175.328 -0.072 0.000 1.064 557 H CA 1.297 57.321 56.048 -0.039 0.000 1.330 557 H CB 0.267 30.029 29.762 -0.001 0.000 1.395 557 H HN 0.359 nan 8.280 nan 0.000 0.541 558 D N 0.691 120.985 120.400 -0.176 0.000 2.363 558 D HA -0.008 4.631 4.640 -0.001 0.000 0.226 558 D C 1.634 177.765 176.300 -0.281 0.000 1.020 558 D CA 0.231 54.104 54.000 -0.211 0.000 0.892 558 D CB 0.374 41.180 40.800 0.009 0.000 0.900 558 D HN 0.489 nan 8.370 nan 0.000 0.531 559 L N -0.949 120.056 121.223 -0.365 0.000 2.640 559 L HA 0.280 4.619 4.340 -0.001 0.000 0.230 559 L C 1.445 178.193 176.870 -0.202 0.000 1.123 559 L CA 0.058 54.721 54.840 -0.295 0.000 0.900 559 L CB 0.109 41.950 42.059 -0.363 0.000 1.146 559 L HN -0.050 nan 8.230 nan 0.000 0.484 560 G N 0.527 109.190 108.800 -0.229 0.000 2.153 560 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.252 560 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.252 560 G C 0.778 175.632 174.900 -0.076 0.000 0.994 560 G CA 0.683 45.674 45.100 -0.180 0.000 0.698 560 G HN 0.353 nan 8.290 nan 0.000 0.521 561 M N -0.960 118.614 119.600 -0.044 0.000 2.476 561 M HA 0.239 4.719 4.480 -0.001 0.000 0.262 561 M C 0.520 176.961 176.300 0.235 0.000 1.111 561 M CA 0.951 56.267 55.300 0.027 0.000 1.127 561 M CB 0.621 33.161 32.600 -0.101 0.000 1.376 561 M HN 0.059 nan 8.290 nan 0.000 0.465 562 V N 0.450 120.498 119.914 0.222 0.000 2.577 562 V HA 0.162 4.282 4.120 -0.001 0.000 0.303 562 V C 0.615 176.854 176.094 0.242 0.000 1.042 562 V CA -0.716 61.725 62.300 0.236 0.000 0.872 562 V CB 2.161 34.117 31.823 0.222 0.000 0.998 562 V HN 0.156 nan 8.190 nan 0.000 0.423 563 K N 3.135 123.641 120.400 0.176 0.000 2.062 563 K HA -0.041 4.278 4.320 -0.001 0.000 0.205 563 K C 1.013 177.678 176.600 0.109 0.000 1.051 563 K CA 1.473 57.875 56.287 0.192 0.000 0.941 563 K CB 0.240 32.795 32.500 0.092 0.000 0.719 563 K HN 0.692 nan 8.250 nan 0.000 0.440 564 V N -0.755 119.158 119.914 -0.002 0.000 3.857 564 V HA 0.005 4.124 4.120 -0.001 0.000 0.275 564 V C 0.782 176.701 176.094 -0.291 0.000 0.992 564 V CA 0.287 62.515 62.300 -0.120 0.000 0.998 564 V CB 0.485 32.251 31.823 -0.095 0.000 1.234 564 V HN 0.315 nan 8.190 nan 0.000 0.438 565 E N -2.040 117.992 120.200 -0.281 0.000 2.550 565 E HA 0.171 4.521 4.350 -0.001 0.000 0.206 565 E C -0.209 176.264 176.600 -0.211 0.000 0.845 565 E CA -0.216 56.000 56.400 -0.306 0.000 1.461 565 E CB 0.564 30.050 29.700 -0.356 0.000 1.452 565 E HN 0.765 nan 8.360 nan 0.000 0.780 566 E N 2.655 122.722 120.200 -0.223 0.000 2.146 566 E HA 0.125 4.475 4.350 -0.001 0.000 0.282 566 E C -1.936 174.456 176.600 -0.348 0.000 0.989 566 E CA -1.790 54.453 56.400 -0.263 0.000 0.799 566 E CB 1.663 31.220 29.700 -0.239 0.000 1.088 566 E HN 0.090 nan 8.360 nan 0.000 0.397 567 P HA -0.011 nan 4.420 nan 0.000 0.224 567 P C -0.127 176.568 177.300 -1.008 0.000 1.157 567 P CA 0.678 63.168 63.100 -1.016 0.000 0.799 567 P CB 0.239 30.772 31.700 -1.944 0.000 0.809 568 F N 0.224 119.994 119.950 -0.300 0.000 2.427 568 F HA 0.445 4.972 4.527 -0.001 0.000 0.348 568 F C 1.708 177.590 175.800 0.137 0.000 1.125 568 F CA -0.871 57.021 58.000 -0.181 0.000 0.989 568 F CB 1.054 39.910 39.000 -0.240 0.000 1.165 568 F HN -0.227 nan 8.300 nan 0.000 0.442 569 Q N 2.188 122.107 119.800 0.198 0.000 2.389 569 Q HA 0.187 4.526 4.340 -0.001 0.000 0.204 569 Q C 0.493 176.665 176.000 0.286 0.000 0.944 569 Q CA 0.572 56.490 55.803 0.191 0.000 0.908 569 Q CB 0.380 29.168 28.738 0.083 0.000 1.002 569 Q HN 0.942 nan 8.270 nan 0.000 0.493 570 G N 1.314 110.266 108.800 0.254 0.000 3.446 570 G HA2 0.317 4.276 3.960 -0.001 0.000 0.314 570 G HA3 0.317 4.276 3.960 -0.001 0.000 0.314 570 G C -1.535 173.373 174.900 0.014 0.000 1.539 570 G CA -0.533 44.661 45.100 0.156 0.000 0.848 570 G HN 0.114 nan 8.290 nan 0.000 0.488 571 L N 1.894 122.954 121.223 -0.272 0.000 2.367 571 L HA 0.713 5.053 4.340 -0.001 0.000 0.275 571 L C -1.192 175.540 176.870 -0.230 0.000 1.129 571 L CA -1.106 53.425 54.840 -0.516 0.000 0.839 571 L CB 0.488 41.715 42.059 -1.387 0.000 1.133 571 L HN 0.264 nan 8.230 nan 0.000 0.453 572 F N 4.326 124.120 119.950 -0.260 0.000 2.496 572 F HA 0.450 4.977 4.527 -0.000 0.000 0.341 572 F C 0.176 175.854 175.800 -0.204 0.000 1.134 572 F CA -0.561 57.333 58.000 -0.176 0.000 0.968 572 F CB 1.196 40.135 39.000 -0.101 0.000 1.205 572 F HN 0.675 nan 8.300 nan 0.000 0.436 573 T N 3.038 117.479 114.554 -0.188 0.000 2.913 573 T HA 0.526 4.875 4.350 -0.001 0.000 0.297 573 T C -0.311 174.435 174.700 0.077 0.000 1.029 573 T CA -0.723 61.313 62.100 -0.107 0.000 1.104 573 T CB 1.441 70.202 68.868 -0.178 0.000 0.964 573 T HN 0.534 nan 8.240 nan 0.000 0.532 574 Q N 0.416 120.240 119.800 0.040 0.000 2.496 574 Q HA 0.618 4.957 4.340 -0.001 0.000 0.286 574 Q C 0.052 176.060 176.000 0.013 0.000 1.103 574 Q CA -0.874 54.976 55.803 0.079 0.000 0.813 574 Q CB 2.192 30.943 28.738 0.021 0.000 1.444 574 Q HN 0.992 nan 8.270 nan 0.000 0.443 575 G N 0.441 109.256 108.800 0.024 0.000 2.412 575 G HA2 0.523 4.483 3.960 -0.001 0.000 0.318 575 G HA3 0.523 4.483 3.960 -0.001 0.000 0.318 575 G C -0.027 174.867 174.900 -0.009 0.000 1.146 575 G CA -0.606 44.497 45.100 0.004 0.000 0.882 575 G HN 0.347 nan 8.290 nan 0.000 0.501 576 M N 0.884 120.475 119.600 -0.015 0.000 2.248 576 M HA 0.099 4.578 4.480 -0.001 0.000 0.337 576 M C -0.086 176.213 176.300 -0.001 0.000 1.121 576 M CA -0.076 55.214 55.300 -0.017 0.000 1.155 576 M CB 1.160 33.749 32.600 -0.018 0.000 1.514 576 M HN 0.035 nan 8.290 nan 0.000 0.452 577 V N 4.396 124.311 119.914 0.001 0.000 2.432 577 V HA 0.227 4.347 4.120 -0.001 0.000 0.271 577 V C -0.025 176.090 176.094 0.035 0.000 1.046 577 V CA -0.483 61.838 62.300 0.035 0.000 0.945 577 V CB 0.718 32.560 31.823 0.031 0.000 0.992 577 V HN 0.543 nan 8.190 nan 0.000 0.471 578 L N 4.468 125.720 121.223 0.049 0.000 2.331 578 L HA 0.884 5.224 4.340 -0.001 0.000 0.275 578 L C 0.297 177.211 176.870 0.073 0.000 1.022 578 L CA 0.103 54.955 54.840 0.020 0.000 0.812 578 L CB 1.744 43.782 42.059 -0.034 0.000 1.257 578 L HN 0.786 nan 8.230 nan 0.000 0.435 579 A N 0.908 123.759 122.820 0.052 0.000 2.469 579 A HA 0.658 4.978 4.320 -0.001 0.000 0.299 579 A C -1.883 175.764 177.584 0.105 0.000 1.098 579 A CA -0.591 51.540 52.037 0.157 0.000 0.737 579 A CB 0.554 19.669 19.000 0.191 0.000 1.312 579 A HN 0.602 nan 8.150 nan 0.000 0.414 580 W N 1.410 122.842 121.300 0.219 0.000 2.446 580 W HA 0.423 5.082 4.660 -0.001 0.000 0.316 580 W C 0.094 176.852 176.519 0.399 0.000 1.376 580 W CA 0.975 58.498 57.345 0.296 0.000 1.300 580 W CB 0.981 30.596 29.460 0.258 0.000 1.351 580 W HN 0.530 nan 8.180 nan 0.000 0.530 581 T N 3.782 118.601 114.554 0.442 0.000 2.792 581 T HA 0.023 4.372 4.350 -0.001 0.000 0.280 581 T C -0.554 173.970 174.700 -0.293 0.000 0.990 581 T CA -0.775 61.353 62.100 0.046 0.000 0.960 581 T CB 1.095 69.807 68.868 -0.260 0.000 0.939 581 T HN 0.195 nan 8.240 nan 0.000 0.439 582 D N 1.805 121.601 120.400 -1.006 0.000 2.434 582 D HA 0.034 4.673 4.640 -0.001 0.000 0.252 582 D C -0.078 175.735 176.300 -0.811 0.000 1.185 582 D CA 0.008 53.080 54.000 -1.547 0.000 0.886 582 D CB 0.343 40.248 40.800 -1.492 0.000 1.148 582 D HN 0.402 nan 8.370 nan 0.000 0.483 583 F N 2.226 121.885 119.950 -0.485 0.000 2.678 583 F HA 0.303 4.830 4.527 -0.000 0.000 0.291 583 F C 1.580 177.210 175.800 -0.283 0.000 1.123 583 F CA 1.024 58.860 58.000 -0.273 0.000 1.395 583 F CB 0.543 39.447 39.000 -0.161 0.000 1.121 583 F HN 0.632 nan 8.300 nan 0.000 0.592 584 G N -0.223 108.409 108.800 -0.280 0.000 2.359 584 G HA2 0.095 4.055 3.960 -0.001 0.000 0.303 584 G HA3 0.095 4.055 3.960 -0.001 0.000 0.303 584 G C -3.142 171.255 174.900 -0.838 0.000 1.293 584 G CA -1.201 43.614 45.100 -0.475 0.000 0.964 584 G HN -0.220 nan 8.290 nan 0.000 0.531 585 P HA 0.557 nan 4.420 nan 0.000 0.276 585 P C -0.200 177.007 177.300 -0.156 0.000 1.244 585 P CA -0.153 62.689 63.100 -0.431 0.000 0.801 585 P CB 1.637 33.281 31.700 -0.094 0.000 1.006 586 V N -2.053 117.835 119.914 -0.043 0.000 2.932 586 V HA 0.488 4.608 4.120 -0.001 0.000 0.307 586 V C -0.729 175.386 176.094 0.035 0.000 1.147 586 V CA -1.001 61.298 62.300 -0.002 0.000 0.951 586 V CB 2.095 33.925 31.823 0.011 0.000 1.031 586 V HN 0.373 nan 8.190 nan 0.000 0.426 587 E N 2.388 122.605 120.200 0.028 0.000 2.035 587 E HA 0.521 4.870 4.350 -0.001 0.000 0.271 587 E C -0.751 175.869 176.600 0.034 0.000 0.953 587 E CA -0.518 55.903 56.400 0.035 0.000 0.777 587 E CB 1.969 31.684 29.700 0.026 0.000 1.104 587 E HN 0.608 nan 8.360 nan 0.000 0.408 588 V N 3.137 123.076 119.914 0.042 0.000 2.583 588 V HA 0.121 4.241 4.120 -0.001 0.000 0.287 588 V C 0.076 176.189 176.094 0.032 0.000 1.051 588 V CA 0.029 62.352 62.300 0.039 0.000 1.010 588 V CB 1.361 33.212 31.823 0.047 0.000 0.988 588 V HN 0.633 nan 8.190 nan 0.000 0.478 589 E N 3.043 123.259 120.200 0.027 0.000 2.502 589 E HA 0.527 4.877 4.350 -0.001 0.000 0.261 589 E C 0.485 177.097 176.600 0.020 0.000 0.974 589 E CA 0.620 57.033 56.400 0.023 0.000 0.795 589 E CB 0.803 30.515 29.700 0.019 0.000 1.385 589 E HN 0.804 nan 8.360 nan 0.000 0.400 590 G N 3.283 112.095 108.800 0.021 0.000 5.059 590 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.336 590 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.336 590 G C 0.643 175.555 174.900 0.020 0.000 1.364 590 G CA 0.834 45.945 45.100 0.019 0.000 1.020 590 G HN 1.275 nan 8.290 nan 0.000 0.807 591 S N -0.974 114.737 115.700 0.018 0.000 3.025 591 S HA 0.600 5.070 4.470 -0.001 0.000 0.251 591 S C -0.498 174.112 174.600 0.018 0.000 0.954 591 S CA 0.464 58.675 58.200 0.019 0.000 1.092 591 S CB 0.872 64.082 63.200 0.016 0.000 1.079 591 S HN 1.450 nan 8.310 nan 0.000 0.543 592 V N 1.111 121.036 119.914 0.019 0.000 2.462 592 V HA 0.430 4.550 4.120 -0.001 0.000 0.288 592 V C -0.277 175.828 176.094 0.018 0.000 1.020 592 V CA -0.772 61.538 62.300 0.016 0.000 0.857 592 V CB 1.396 33.228 31.823 0.014 0.000 1.013 592 V HN 0.295 nan 8.190 nan 0.000 0.431 593 V N 4.862 124.787 119.914 0.018 0.000 2.387 593 V HA 0.326 4.445 4.120 -0.001 0.000 0.260 593 V C 0.643 176.744 176.094 0.011 0.000 1.054 593 V CA -0.167 62.145 62.300 0.020 0.000 0.967 593 V CB 0.567 32.403 31.823 0.022 0.000 1.036 593 V HN 0.824 nan 8.190 nan 0.000 0.481 594 R N 4.557 125.065 120.500 0.012 0.000 2.308 594 R HA 0.554 4.893 4.340 -0.001 0.000 0.305 594 R C -0.856 175.445 176.300 0.001 0.000 1.053 594 R CA -0.449 55.655 56.100 0.006 0.000 0.957 594 R CB 0.738 31.044 30.300 0.009 0.000 1.022 594 R HN 0.670 nan 8.270 nan 0.000 0.461 595 L N 7.454 128.673 121.223 -0.006 0.000 2.265 595 L HA 0.463 4.802 4.340 -0.001 0.000 0.289 595 L C -1.760 175.102 176.870 -0.013 0.000 1.033 595 L CA -2.043 52.788 54.840 -0.015 0.000 0.814 595 L CB 1.614 43.659 42.059 -0.024 0.000 1.203 595 L HN 0.576 nan 8.230 nan 0.000 0.423 596 P HA 0.091 nan 4.420 nan 0.000 0.275 596 P C -0.094 177.200 177.300 -0.011 0.000 1.266 596 P CA -0.343 62.752 63.100 -0.009 0.000 0.793 596 P CB 1.169 32.864 31.700 -0.009 0.000 1.074 597 E N -0.083 120.114 120.200 -0.005 0.000 2.371 597 E HA 0.003 4.352 4.350 -0.001 0.000 0.194 597 E C -1.035 175.565 176.600 -0.002 0.000 1.012 597 E CA 0.817 57.215 56.400 -0.004 0.000 0.860 597 E CB -1.429 28.271 29.700 -0.000 0.000 0.811 597 E HN 0.452 nan 8.360 nan 0.000 0.502 598 P HA 0.007 nan 4.420 nan 0.000 0.221 598 P C 1.239 178.543 177.300 0.007 0.000 1.155 598 P CA 1.093 64.195 63.100 0.003 0.000 0.812 598 P CB 0.015 31.715 31.700 0.000 0.000 0.801 599 T N -0.678 113.872 114.554 -0.006 0.000 3.023 599 T HA -0.029 4.321 4.350 -0.001 0.000 0.266 599 T C 1.841 176.534 174.700 -0.013 0.000 1.093 599 T CA 0.593 62.692 62.100 -0.001 0.000 1.129 599 T CB -0.199 68.645 68.868 -0.041 0.000 0.899 599 T HN 0.125 nan 8.240 nan 0.000 0.491 600 R N 0.778 121.266 120.500 -0.021 0.000 2.080 600 R HA 0.159 4.499 4.340 -0.001 0.000 0.222 600 R C 2.302 178.589 176.300 -0.022 0.000 1.107 600 R CA 0.637 56.716 56.100 -0.035 0.000 0.980 600 R CB -0.291 29.992 30.300 -0.028 0.000 0.879 600 R HN 0.314 nan 8.270 nan 0.000 0.439 601 I N 0.972 121.542 120.570 -0.001 0.000 2.163 601 I HA -0.307 3.863 4.170 -0.001 0.000 0.243 601 I C 2.453 178.589 176.117 0.032 0.000 1.085 601 I CA 1.511 62.817 61.300 0.011 0.000 1.347 601 I CB -0.181 37.828 38.000 0.015 0.000 1.044 601 I HN 0.271 nan 8.210 nan 0.000 0.408 602 R N 0.140 120.678 120.500 0.065 0.000 2.092 602 R HA -0.089 4.251 4.340 -0.001 0.000 0.231 602 R C 2.249 178.648 176.300 0.165 0.000 1.119 602 R CA 1.008 57.203 56.100 0.159 0.000 0.970 602 R CB -0.158 30.287 30.300 0.241 0.000 0.864 602 R HN 0.380 nan 8.270 nan 0.000 0.440 603 L N 0.802 122.000 121.223 -0.042 0.000 2.141 603 L HA -0.086 4.254 4.340 -0.001 0.000 0.209 603 L C 0.079 176.863 176.870 -0.144 0.000 1.094 603 L CA 1.051 55.713 54.840 -0.296 0.000 0.763 603 L CB -0.348 41.503 42.059 -0.347 0.000 0.908 603 L HN 0.341 nan 8.230 nan 0.000 0.437 604 E N 0.738 120.903 120.200 -0.059 0.000 2.264 604 E HA -0.202 4.148 4.350 -0.001 0.000 0.223 604 E C -0.478 176.093 176.600 -0.048 0.000 1.220 604 E CA 0.253 56.632 56.400 -0.034 0.000 0.692 604 E CB -1.676 28.017 29.700 -0.013 0.000 1.203 604 E HN 0.538 nan 8.360 nan 0.000 0.384 605 I N -2.998 117.540 120.570 -0.053 0.000 3.436 605 I HA 0.537 4.707 4.170 -0.001 0.000 0.300 605 I C -1.694 174.407 176.117 -0.027 0.000 1.131 605 I CA -2.297 58.977 61.300 -0.043 0.000 1.001 605 I CB 1.091 39.059 38.000 -0.054 0.000 1.305 605 I HN -0.219 nan 8.210 nan 0.000 0.494 606 P HA 0.283 nan 4.420 nan 0.000 0.272 606 P C -0.200 177.091 177.300 -0.015 0.000 1.276 606 P CA 0.204 63.296 63.100 -0.014 0.000 0.871 606 P CB 0.487 32.182 31.700 -0.008 0.000 1.313 607 E N -0.485 119.703 120.200 -0.020 0.000 2.318 607 E HA 0.353 4.703 4.350 -0.001 0.000 0.265 607 E C 0.652 177.241 176.600 -0.018 0.000 1.069 607 E CA -0.185 56.205 56.400 -0.017 0.000 0.893 607 E CB 0.850 30.539 29.700 -0.018 0.000 1.076 607 E HN -0.160 nan 8.360 nan 0.000 0.414 608 S N 0.110 115.802 115.700 -0.012 0.000 2.731 608 S HA 0.236 4.705 4.470 -0.001 0.000 0.244 608 S C 0.349 174.944 174.600 -0.008 0.000 1.084 608 S CA -0.024 58.170 58.200 -0.011 0.000 0.877 608 S CB 0.692 63.888 63.200 -0.006 0.000 0.798 608 S HN 0.601 nan 8.310 nan 0.000 0.496 609 A N 1.288 124.105 122.820 -0.005 0.000 2.286 609 A HA 0.804 5.123 4.320 -0.001 0.000 0.286 609 A C -0.777 176.805 177.584 -0.003 0.000 1.097 609 A CA -0.170 51.866 52.037 -0.002 0.000 0.821 609 A CB 0.353 19.354 19.000 0.001 0.000 1.076 609 A HN 0.415 nan 8.150 nan 0.000 0.490 610 L N 0.618 121.841 121.223 0.001 0.000 2.545 610 L HA 0.330 4.669 4.340 -0.001 0.000 0.258 610 L C 0.257 177.132 176.870 0.008 0.000 0.942 610 L CA -0.651 54.190 54.840 0.002 0.000 0.855 610 L CB 2.542 44.600 42.059 -0.001 0.000 1.374 610 L HN 0.920 nan 8.230 nan 0.000 0.411 611 S N 1.279 116.985 115.700 0.009 0.000 2.603 611 S HA 0.383 4.853 4.470 -0.001 0.000 0.268 611 S C 1.115 175.726 174.600 0.019 0.000 1.317 611 S CA -0.727 57.482 58.200 0.014 0.000 1.012 611 S CB 0.994 64.201 63.200 0.013 0.000 0.926 611 S HN 0.611 nan 8.310 nan 0.000 0.539 612 L N 0.740 121.976 121.223 0.023 0.000 2.046 612 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 612 L C 2.897 179.786 176.870 0.031 0.000 1.077 612 L CA 1.652 56.510 54.840 0.030 0.000 0.747 612 L CB -0.723 41.355 42.059 0.030 0.000 0.896 612 L HN 0.805 nan 8.230 nan 0.000 0.432 613 E N -0.051 120.164 120.200 0.025 0.000 2.085 613 E HA -0.262 4.088 4.350 -0.001 0.000 0.194 613 E C 1.779 178.393 176.600 0.023 0.000 0.994 613 E CA 1.279 57.693 56.400 0.024 0.000 0.801 613 E CB -0.126 29.585 29.700 0.019 0.000 0.743 613 E HN 0.488 nan 8.360 nan 0.000 0.453 614 D N 0.185 120.596 120.400 0.018 0.000 2.182 614 D HA -0.142 4.498 4.640 -0.001 0.000 0.201 614 D C 1.966 178.274 176.300 0.014 0.000 0.986 614 D CA 0.844 54.851 54.000 0.012 0.000 0.847 614 D CB 0.255 41.058 40.800 0.006 0.000 0.942 614 D HN 0.049 nan 8.370 nan 0.000 0.467 615 V N 0.919 120.848 119.914 0.025 0.000 2.283 615 V HA -0.198 3.922 4.120 -0.001 0.000 0.243 615 V C 2.595 178.720 176.094 0.052 0.000 1.039 615 V CA 1.345 63.668 62.300 0.038 0.000 1.016 615 V CB -0.470 31.387 31.823 0.057 0.000 0.650 615 V HN 0.116 nan 8.190 nan 0.000 0.449 616 R N 0.597 121.130 120.500 0.055 0.000 2.115 616 R HA -0.251 4.089 4.340 -0.001 0.000 0.239 616 R C 2.334 178.666 176.300 0.054 0.000 1.133 616 R CA 2.196 58.335 56.100 0.065 0.000 0.935 616 R CB -0.296 30.035 30.300 0.052 0.000 0.853 616 R HN 0.428 nan 8.270 nan 0.000 0.433 617 K N 0.191 120.612 120.400 0.035 0.000 2.360 617 K HA -0.128 4.192 4.320 -0.001 0.000 0.201 617 K C 1.724 178.333 176.600 0.016 0.000 1.046 617 K CA 1.507 57.808 56.287 0.024 0.000 0.945 617 K CB -0.037 32.472 32.500 0.016 0.000 0.750 617 K HN 0.469 nan 8.250 nan 0.000 0.464 618 M N -2.089 117.519 119.600 0.013 0.000 2.453 618 M HA 0.304 4.783 4.480 -0.001 0.000 0.239 618 M C 0.410 176.712 176.300 0.004 0.000 1.151 618 M CA 0.244 55.541 55.300 -0.005 0.000 0.989 618 M CB 0.571 33.154 32.600 -0.028 0.000 1.548 618 M HN -0.003 nan 8.290 nan 0.000 0.479 619 G N 1.304 110.128 108.800 0.040 0.000 2.385 619 G HA2 0.047 4.007 3.960 -0.001 0.000 0.294 619 G HA3 0.047 4.007 3.960 -0.001 0.000 0.294 619 G C -0.292 174.674 174.900 0.112 0.000 1.070 619 G CA 0.143 45.285 45.100 0.069 0.000 1.172 619 G HN 1.095 nan 8.290 nan 0.000 0.516 620 A N 0.154 123.096 122.820 0.203 0.000 2.556 620 A HA 0.959 5.279 4.320 -0.001 0.000 0.294 620 A C -0.220 177.575 177.584 0.352 0.000 1.091 620 A CA -0.019 52.214 52.037 0.326 0.000 0.704 620 A CB 1.422 20.536 19.000 0.190 0.000 1.300 620 A HN 1.309 nan 8.150 nan 0.000 0.406 621 E N 0.878 121.341 120.200 0.438 0.000 2.299 621 E HA 0.750 5.100 4.350 -0.001 0.000 0.265 621 E C -1.518 175.238 176.600 0.259 0.000 0.911 621 E CA -0.860 55.679 56.400 0.232 0.000 0.789 621 E CB 1.677 31.401 29.700 0.040 0.000 1.246 621 E HN 0.477 nan 8.360 nan 0.000 0.427 622 L N 2.020 123.347 121.223 0.173 0.000 2.296 622 L HA 0.555 4.894 4.340 -0.001 0.000 0.286 622 L C 0.127 177.084 176.870 0.146 0.000 1.023 622 L CA -0.717 54.244 54.840 0.202 0.000 0.812 622 L CB 1.172 43.317 42.059 0.144 0.000 1.223 622 L HN 0.488 nan 8.230 nan 0.000 0.421 623 R N 2.748 123.376 120.500 0.213 0.000 2.873 623 R HA 0.590 4.930 4.340 -0.001 0.000 0.264 623 R C -2.495 173.922 176.300 0.195 0.000 1.026 623 R CA -1.967 54.192 56.100 0.098 0.000 1.002 623 R CB 1.126 31.370 30.300 -0.093 0.000 1.174 623 R HN 0.271 nan 8.270 nan 0.000 0.488 624 P HA -0.039 nan 4.420 nan 0.000 0.278 624 P C -0.998 176.449 177.300 0.246 0.000 1.270 624 P CA 0.156 63.350 63.100 0.158 0.000 0.800 624 P CB 0.425 32.172 31.700 0.079 0.000 1.142 625 H N -1.657 117.438 119.070 0.042 0.000 3.037 625 H HA 0.096 4.652 4.556 -0.001 0.000 0.336 625 H C 0.506 175.809 175.328 -0.043 0.000 1.323 625 H CA -0.489 55.536 56.048 -0.037 0.000 1.159 625 H CB 1.272 30.852 29.762 -0.303 0.000 1.882 625 H HN 0.233 nan 8.280 nan 0.000 0.535 626 E N 0.545 120.477 120.200 -0.446 0.000 2.065 626 E HA -0.236 4.114 4.350 -0.001 0.000 0.201 626 E C 1.374 177.736 176.600 -0.396 0.000 1.016 626 E CA 2.287 58.436 56.400 -0.418 0.000 0.818 626 E CB -0.022 29.440 29.700 -0.397 0.000 0.749 626 E HN 0.608 nan 8.360 nan 0.000 0.453 627 D N -1.394 118.634 120.400 -0.621 0.000 2.378 627 D HA -0.051 4.589 4.640 -0.001 0.000 0.222 627 D C 1.356 177.609 176.300 -0.077 0.000 0.980 627 D CA 1.181 55.032 54.000 -0.248 0.000 0.907 627 D CB 0.118 40.836 40.800 -0.138 0.000 0.899 627 D HN 0.325 nan 8.370 nan 0.000 0.527 628 G N -0.610 108.158 108.800 -0.054 0.000 2.278 628 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.210 628 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.210 628 G C 0.584 175.530 174.900 0.076 0.000 1.000 628 G CA 0.320 45.428 45.100 0.015 0.000 0.635 628 G HN 0.750 nan 8.290 nan 0.000 0.495 629 T N -0.014 114.625 114.554 0.142 0.000 2.810 629 T HA 0.723 5.073 4.350 -0.001 0.000 0.277 629 T C 0.715 175.569 174.700 0.257 0.000 0.973 629 T CA -0.631 61.592 62.100 0.204 0.000 0.949 629 T CB 1.618 70.657 68.868 0.285 0.000 1.075 629 T HN 0.442 nan 8.240 nan 0.000 0.537 630 L N 0.884 122.252 121.223 0.241 0.000 2.395 630 L HA 0.395 4.735 4.340 -0.001 0.000 0.269 630 L C 0.567 177.668 176.870 0.385 0.000 1.133 630 L CA -0.607 54.389 54.840 0.261 0.000 0.812 630 L CB 0.498 42.657 42.059 0.168 0.000 1.125 630 L HN 0.671 nan 8.230 nan 0.000 0.452 631 H N 2.578 121.768 119.070 0.201 0.000 2.717 631 H HA 0.373 4.928 4.556 -0.001 0.000 0.366 631 H C -1.075 174.427 175.328 0.290 0.000 1.132 631 H CA -0.808 55.344 56.048 0.173 0.000 1.180 631 H CB 2.931 32.752 29.762 0.099 0.000 1.678 631 H HN 0.401 nan 8.280 nan 0.000 0.537 632 L N 3.471 124.810 121.223 0.193 0.000 2.289 632 L HA 0.325 4.665 4.340 -0.001 0.000 0.285 632 L C -1.526 175.551 176.870 0.346 0.000 1.049 632 L CA -0.388 54.617 54.840 0.275 0.000 0.804 632 L CB 0.488 42.622 42.059 0.125 0.000 1.195 632 L HN 0.484 nan 8.230 nan 0.000 0.428 633 W N 5.120 126.592 121.300 0.286 0.000 2.844 633 W HA 0.649 5.309 4.660 -0.001 0.000 0.340 633 W C -0.726 176.104 176.519 0.519 0.000 1.093 633 W CA -0.715 56.885 57.345 0.425 0.000 1.212 633 W CB 1.504 31.216 29.460 0.420 0.000 1.422 633 W HN 0.346 nan 8.180 nan 0.000 0.515 634 K N 2.514 123.345 120.400 0.717 0.000 2.527 634 K HA 0.520 4.839 4.320 -0.001 0.000 0.260 634 K C -2.910 173.707 176.600 0.027 0.000 0.937 634 K CA -1.929 54.541 56.287 0.305 0.000 0.826 634 K CB 2.315 34.933 32.500 0.197 0.000 1.359 634 K HN -0.008 nan 8.250 nan 0.000 0.434 635 P HA 0.059 nan 4.420 nan 0.000 0.264 635 P C -1.384 175.829 177.300 -0.144 0.000 1.193 635 P CA 0.124 62.882 63.100 -0.571 0.000 0.763 635 P CB 1.047 32.317 31.700 -0.717 0.000 0.810 636 A N 2.988 125.767 122.820 -0.068 0.000 2.530 636 A HA 0.635 4.955 4.320 -0.001 0.000 0.288 636 A C -0.896 176.669 177.584 -0.032 0.000 1.172 636 A CA -0.658 51.376 52.037 -0.006 0.000 0.733 636 A CB 0.933 19.938 19.000 0.007 0.000 1.320 636 A HN 0.260 nan 8.150 nan 0.000 0.419 637 V N 1.058 120.959 119.914 -0.022 0.000 2.488 637 V HA 0.237 4.356 4.120 -0.001 0.000 0.277 637 V C 0.722 176.790 176.094 -0.044 0.000 1.046 637 V CA -0.035 62.250 62.300 -0.025 0.000 0.986 637 V CB 0.855 32.669 31.823 -0.015 0.000 0.989 637 V HN 0.866 nan 8.190 nan 0.000 0.475 638 M N 6.017 125.591 119.600 -0.042 0.000 2.760 638 M HA 0.194 4.674 4.480 -0.001 0.000 0.314 638 M C 0.280 176.495 176.300 -0.141 0.000 1.582 638 M CA 0.311 55.551 55.300 -0.099 0.000 1.484 638 M CB -0.362 32.198 32.600 -0.067 0.000 1.621 638 M HN 0.942 nan 8.290 nan 0.000 0.470 639 S N 2.800 118.401 115.700 -0.165 0.000 2.599 639 S HA 0.391 4.860 4.470 -0.001 0.000 0.287 639 S C 0.574 175.073 174.600 -0.169 0.000 1.105 639 S CA -1.029 57.089 58.200 -0.136 0.000 0.899 639 S CB 2.029 65.213 63.200 -0.026 0.000 1.100 639 S HN 0.792 nan 8.310 nan 0.000 0.482 640 K N 1.059 121.404 120.400 -0.092 0.000 2.020 640 K HA -0.166 4.153 4.320 -0.001 0.000 0.212 640 K C 2.266 178.855 176.600 -0.017 0.000 1.050 640 K CA 2.054 58.321 56.287 -0.033 0.000 0.929 640 K CB -0.718 31.828 32.500 0.077 0.000 0.714 640 K HN 0.670 nan 8.250 nan 0.000 0.443 641 S N 0.676 116.380 115.700 0.005 0.000 2.372 641 S HA -0.161 4.309 4.470 -0.001 0.000 0.227 641 S C 1.714 176.293 174.600 -0.034 0.000 1.044 641 S CA 1.493 59.694 58.200 0.001 0.000 1.050 641 S CB -0.180 63.025 63.200 0.009 0.000 0.901 641 S HN 0.253 nan 8.310 nan 0.000 0.447 642 K N 0.673 121.037 120.400 -0.060 0.000 2.515 642 K HA 0.062 4.382 4.320 -0.001 0.000 0.196 642 K C 1.253 177.782 176.600 -0.118 0.000 1.038 642 K CA 0.680 56.907 56.287 -0.100 0.000 0.967 642 K CB -1.063 31.369 32.500 -0.112 0.000 0.780 642 K HN 0.632 nan 8.250 nan 0.000 0.483 643 G N 3.624 112.370 108.800 -0.091 0.000 2.359 643 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.298 643 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.298 643 G C -0.009 174.837 174.900 -0.090 0.000 1.030 643 G CA 0.697 45.750 45.100 -0.079 0.000 1.149 643 G HN 0.487 nan 8.290 nan 0.000 0.512 644 N N -1.207 117.426 118.700 -0.111 0.000 2.261 644 N HA 0.236 4.976 4.740 -0.001 0.000 0.241 644 N C 0.604 176.036 175.510 -0.130 0.000 1.374 644 N CA 0.332 53.334 53.050 -0.079 0.000 0.802 644 N CB -0.093 38.353 38.487 -0.068 0.000 1.339 644 N HN 0.846 nan 8.380 nan 0.000 0.498 645 G N 0.456 109.103 108.800 -0.254 0.000 2.355 645 G HA2 0.461 4.421 3.960 -0.001 0.000 0.276 645 G HA3 0.461 4.421 3.960 -0.001 0.000 0.276 645 G C -0.342 174.415 174.900 -0.239 0.000 1.198 645 G CA -0.341 44.482 45.100 -0.461 0.000 0.876 645 G HN 0.075 nan 8.290 nan 0.000 0.478 646 V N 4.463 124.227 119.914 -0.251 0.000 2.415 646 V HA 0.094 4.213 4.120 -0.001 0.000 0.267 646 V C 0.606 176.603 176.094 -0.162 0.000 1.042 646 V CA -0.435 61.731 62.300 -0.223 0.000 1.000 646 V CB 0.709 32.198 31.823 -0.556 0.000 1.015 646 V HN 0.714 nan 8.190 nan 0.000 0.478 647 M N 5.134 124.734 119.600 -0.001 0.000 2.233 647 M HA 0.206 4.686 4.480 -0.001 0.000 0.350 647 M C 0.793 177.142 176.300 0.082 0.000 1.176 647 M CA 0.474 55.811 55.300 0.062 0.000 1.150 647 M CB 1.412 34.065 32.600 0.089 0.000 1.530 647 M HN 0.445 nan 8.290 nan 0.000 0.459 648 V N 3.718 123.673 119.914 0.068 0.000 2.255 648 V HA -0.057 4.062 4.120 -0.001 0.000 0.243 648 V C 1.899 178.090 176.094 0.163 0.000 1.038 648 V CA 2.194 64.542 62.300 0.079 0.000 1.008 648 V CB -1.592 30.259 31.823 0.045 0.000 0.645 648 V HN 1.086 nan 8.190 nan 0.000 0.449 649 G N 0.871 109.742 108.800 0.119 0.000 2.459 649 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.217 649 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.217 649 G C -0.196 174.784 174.900 0.134 0.000 1.183 649 G CA 1.256 46.423 45.100 0.111 0.000 0.776 649 G HN 0.515 nan 8.290 nan 0.000 0.552 650 P HA -0.124 nan 4.420 nan 0.000 0.214 650 P C 1.675 179.082 177.300 0.178 0.000 1.163 650 P CA 0.743 63.924 63.100 0.135 0.000 0.883 650 P CB -0.201 31.578 31.700 0.131 0.000 0.788 651 F N 0.213 120.223 119.950 0.100 0.000 2.120 651 F HA -0.224 4.303 4.527 -0.000 0.000 0.300 651 F C 2.062 177.950 175.800 0.148 0.000 1.095 651 F CA 1.309 59.394 58.000 0.142 0.000 1.249 651 F CB -0.819 38.265 39.000 0.140 0.000 0.995 651 F HN -0.307 nan 8.300 nan 0.000 0.480 652 V N 0.991 121.105 119.914 0.333 0.000 2.392 652 V HA -0.330 3.790 4.120 -0.001 0.000 0.249 652 V C 2.403 178.535 176.094 0.063 0.000 1.059 652 V CA 2.060 64.480 62.300 0.199 0.000 1.051 652 V CB -0.560 31.363 31.823 0.168 0.000 0.658 652 V HN 0.287 nan 8.190 nan 0.000 0.455 653 K N -0.203 120.263 120.400 0.112 0.000 2.062 653 K HA -0.102 4.217 4.320 -0.001 0.000 0.205 653 K C 1.887 178.669 176.600 0.303 0.000 1.051 653 K CA 1.062 57.467 56.287 0.197 0.000 0.941 653 K CB -0.241 32.332 32.500 0.123 0.000 0.719 653 K HN 0.355 nan 8.250 nan 0.000 0.440 654 E N 0.129 120.387 120.200 0.096 0.000 2.479 654 E HA 0.015 4.365 4.350 -0.001 0.000 0.193 654 E C 0.712 177.324 176.600 0.020 0.000 1.049 654 E CA 0.212 56.649 56.400 0.062 0.000 0.870 654 E CB 0.434 30.132 29.700 -0.003 0.000 0.944 654 E HN 0.179 nan 8.360 nan 0.000 0.492 655 Q N -2.064 117.677 119.800 -0.098 0.000 1.776 655 Q HA 0.512 4.851 4.340 -0.001 0.000 0.165 655 Q C 0.433 176.331 176.000 -0.170 0.000 0.481 655 Q CA 0.250 56.017 55.803 -0.059 0.000 0.634 655 Q CB 0.320 28.809 28.738 -0.414 0.000 1.389 655 Q HN 0.065 nan 8.270 nan 0.000 0.203 656 G N -0.687 108.030 108.800 -0.138 0.000 2.451 656 G HA2 0.499 4.459 3.960 -0.001 0.000 0.292 656 G HA3 0.499 4.459 3.960 -0.001 0.000 0.292 656 G C -0.319 174.664 174.900 0.137 0.000 1.427 656 G CA 0.017 45.050 45.100 -0.110 0.000 0.792 656 G HN 0.354 nan 8.290 nan 0.000 0.498 657 A N -0.061 122.796 122.820 0.063 0.000 1.831 657 A HA 0.157 4.477 4.320 -0.001 0.000 0.213 657 A C 1.932 179.641 177.584 0.209 0.000 1.223 657 A CA 2.337 54.467 52.037 0.155 0.000 0.604 657 A CB -0.792 18.259 19.000 0.085 0.000 0.878 657 A HN 0.577 nan 8.150 nan 0.000 0.450 658 D N 0.616 121.144 120.400 0.213 0.000 2.200 658 D HA -0.242 4.398 4.640 -0.001 0.000 0.192 658 D C 1.793 178.203 176.300 0.184 0.000 1.008 658 D CA 2.025 56.171 54.000 0.242 0.000 0.872 658 D CB -0.617 40.336 40.800 0.254 0.000 0.923 658 D HN 0.642 nan 8.370 nan 0.000 0.447 659 I N 0.355 121.007 120.570 0.137 0.000 2.252 659 I HA -0.190 3.980 4.170 -0.001 0.000 0.245 659 I C 2.574 178.862 176.117 0.285 0.000 1.102 659 I CA 1.061 62.443 61.300 0.136 0.000 1.385 659 I CB -0.631 37.367 38.000 -0.003 0.000 1.064 659 I HN -0.093 nan 8.210 nan 0.000 0.414 660 A N 1.816 124.875 122.820 0.398 0.000 1.859 660 A HA -0.262 4.058 4.320 -0.001 0.000 0.217 660 A C 2.496 180.267 177.584 0.312 0.000 1.198 660 A CA 2.236 54.514 52.037 0.402 0.000 0.629 660 A CB -0.775 18.390 19.000 0.276 0.000 0.830 660 A HN 0.356 nan 8.150 nan 0.000 0.446 661 R N -0.696 119.941 120.500 0.229 0.000 2.070 661 R HA -0.064 4.275 4.340 -0.001 0.000 0.233 661 R C 2.064 178.476 176.300 0.185 0.000 1.137 661 R CA 1.575 57.779 56.100 0.175 0.000 0.945 661 R CB -0.450 29.936 30.300 0.142 0.000 0.845 661 R HN 0.496 nan 8.270 nan 0.000 0.430 662 I N 0.811 121.498 120.570 0.194 0.000 2.315 662 I HA -0.270 3.900 4.170 -0.001 0.000 0.251 662 I C 1.895 178.120 176.117 0.181 0.000 1.125 662 I CA 1.675 63.083 61.300 0.181 0.000 1.392 662 I CB -1.202 36.910 38.000 0.186 0.000 1.065 662 I HN 0.272 nan 8.210 nan 0.000 0.424 663 T N 1.592 116.245 114.554 0.166 0.000 2.701 663 T HA -0.032 4.318 4.350 -0.001 0.000 0.263 663 T C 1.962 176.748 174.700 0.144 0.000 1.040 663 T CA 1.190 63.331 62.100 0.069 0.000 1.147 663 T CB -0.167 68.567 68.868 -0.223 0.000 0.865 663 T HN 0.280 nan 8.240 nan 0.000 0.426 664 I N 0.576 121.306 120.570 0.267 0.000 2.928 664 I HA 0.007 4.177 4.170 -0.001 0.000 0.266 664 I C 1.935 178.128 176.117 0.127 0.000 1.234 664 I CA 0.700 62.142 61.300 0.236 0.000 1.483 664 I CB -0.510 37.616 38.000 0.211 0.000 1.097 664 I HN 0.179 nan 8.210 nan 0.000 0.455 665 L N 0.081 121.382 121.223 0.131 0.000 2.062 665 L HA -0.086 4.254 4.340 -0.001 0.000 0.202 665 L C 2.295 179.268 176.870 0.173 0.000 1.079 665 L CA 1.186 56.102 54.840 0.127 0.000 0.755 665 L CB -0.587 41.572 42.059 0.167 0.000 0.913 665 L HN 0.112 nan 8.230 nan 0.000 0.445 666 F N 0.693 120.654 119.950 0.018 0.000 2.771 666 F HA 0.111 4.637 4.527 -0.001 0.000 0.299 666 F C 1.823 177.613 175.800 -0.016 0.000 1.177 666 F CA 0.042 58.026 58.000 -0.027 0.000 1.450 666 F CB -0.359 38.579 39.000 -0.104 0.000 1.114 666 F HN -0.007 nan 8.300 nan 0.000 0.587 667 A N 0.804 123.532 122.820 -0.153 0.000 1.858 667 A HA 0.495 4.814 4.320 -0.001 0.000 0.215 667 A C 1.426 178.878 177.584 -0.220 0.000 1.320 667 A CA 0.715 52.616 52.037 -0.226 0.000 0.601 667 A CB -1.257 17.701 19.000 -0.070 0.000 0.976 667 A HN 0.339 nan 8.150 nan 0.000 0.470 668 A N -0.756 122.011 122.820 -0.089 0.000 2.269 668 A HA 0.687 5.006 4.320 -0.001 0.000 0.327 668 A C -2.682 174.893 177.584 -0.014 0.000 1.112 668 A CA -1.859 50.144 52.037 -0.056 0.000 0.865 668 A CB -0.040 18.951 19.000 -0.016 0.000 1.227 668 A HN 0.278 nan 8.150 nan 0.000 0.498 669 P HA 0.097 nan 4.420 nan 0.000 0.269 669 P C -1.853 175.506 177.300 0.098 0.000 1.217 669 P CA -0.868 62.268 63.100 0.061 0.000 0.783 669 P CB 0.186 31.920 31.700 0.057 0.000 0.898 670 P HA -0.177 nan 4.420 nan 0.000 0.216 670 P C 1.128 178.556 177.300 0.214 0.000 1.153 670 P CA 1.614 64.816 63.100 0.169 0.000 0.844 670 P CB -0.090 31.711 31.700 0.168 0.000 0.787 671 E N -0.100 120.270 120.200 0.284 0.000 2.358 671 E HA -0.061 4.289 4.350 -0.001 0.000 0.195 671 E C 0.141 176.780 176.600 0.064 0.000 1.010 671 E CA 0.397 56.904 56.400 0.178 0.000 0.856 671 E CB -0.869 28.861 29.700 0.051 0.000 0.795 671 E HN 0.157 nan 8.360 nan 0.000 0.504 672 N N 2.367 121.103 118.700 0.060 0.000 2.467 672 N HA 0.048 4.787 4.740 -0.001 0.000 0.262 672 N C -0.174 175.351 175.510 0.024 0.000 1.234 672 N CA -0.213 52.853 53.050 0.027 0.000 0.952 672 N CB 0.662 39.159 38.487 0.018 0.000 1.158 672 N HN 0.303 nan 8.380 nan 0.000 0.463 673 E N -0.009 120.196 120.200 0.009 0.000 2.349 673 E HA 0.405 4.755 4.350 -0.001 0.000 0.265 673 E C -0.362 176.245 176.600 0.011 0.000 1.064 673 E CA -0.545 55.859 56.400 0.007 0.000 0.886 673 E CB 0.869 30.566 29.700 -0.005 0.000 1.036 673 E HN 0.602 nan 8.360 nan 0.000 0.413 674 M N -0.036 119.578 119.600 0.023 0.000 2.719 674 M HA 0.616 5.096 4.480 -0.001 0.000 0.291 674 M C -1.587 174.746 176.300 0.055 0.000 1.264 674 M CA -1.219 54.102 55.300 0.036 0.000 0.811 674 M CB 2.297 34.929 32.600 0.053 0.000 1.756 674 M HN 0.258 nan 8.290 nan 0.000 0.464 675 V N 1.519 121.478 119.914 0.076 0.000 2.380 675 V HA 0.302 4.421 4.120 -0.001 0.000 0.286 675 V C -0.842 175.372 176.094 0.200 0.000 1.015 675 V CA -0.470 61.899 62.300 0.115 0.000 0.834 675 V CB 0.980 32.842 31.823 0.065 0.000 1.009 675 V HN 0.915 nan 8.190 nan 0.000 0.428 676 W N 5.751 127.093 121.300 0.070 0.000 2.223 676 W HA 0.447 5.107 4.660 -0.001 0.000 0.334 676 W C -0.062 176.554 176.519 0.162 0.000 1.334 676 W CA 1.005 58.402 57.345 0.087 0.000 1.246 676 W CB 1.064 30.552 29.460 0.046 0.000 1.184 676 W HN 0.759 nan 8.180 nan 0.000 0.563 677 T N 1.461 115.782 114.554 -0.388 0.000 2.885 677 T HA 0.089 4.439 4.350 -0.001 0.000 0.322 677 T C 0.550 175.120 174.700 -0.216 0.000 1.387 677 T CA -0.628 61.406 62.100 -0.111 0.000 1.041 677 T CB 1.903 70.808 68.868 0.061 0.000 1.287 677 T HN 0.636 nan 8.240 nan 0.000 0.491 678 E N 0.896 121.066 120.200 -0.050 0.000 2.048 678 E HA -0.311 4.039 4.350 -0.001 0.000 0.202 678 E C 1.441 178.017 176.600 -0.040 0.000 1.021 678 E CA 2.403 58.792 56.400 -0.017 0.000 0.825 678 E CB -0.183 29.505 29.700 -0.019 0.000 0.756 678 E HN 0.782 nan 8.360 nan 0.000 0.454 679 E N -0.552 119.613 120.200 -0.059 0.000 2.147 679 E HA -0.184 4.166 4.350 -0.001 0.000 0.199 679 E C 1.829 178.416 176.600 -0.022 0.000 1.005 679 E CA 1.470 57.846 56.400 -0.040 0.000 0.810 679 E CB -0.447 29.224 29.700 -0.049 0.000 0.736 679 E HN 0.493 nan 8.360 nan 0.000 0.460 680 G N -0.449 108.307 108.800 -0.073 0.000 2.459 680 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.213 680 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.213 680 G C 1.673 176.524 174.900 -0.081 0.000 1.155 680 G CA 0.362 45.415 45.100 -0.078 0.000 0.811 680 G HN 0.167 nan 8.290 nan 0.000 0.534 681 V N 0.676 120.491 119.914 -0.165 0.000 2.407 681 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 681 V C 2.852 179.079 176.094 0.222 0.000 1.055 681 V CA 2.105 64.395 62.300 -0.017 0.000 1.049 681 V CB -0.507 31.368 31.823 0.087 0.000 0.662 681 V HN 0.389 nan 8.190 nan 0.000 0.455 682 Q N -0.035 119.876 119.800 0.184 0.000 2.016 682 Q HA -0.087 4.253 4.340 -0.001 0.000 0.200 682 Q C 2.460 178.608 176.000 0.246 0.000 0.978 682 Q CA 1.611 57.559 55.803 0.242 0.000 0.833 682 Q CB -0.710 28.095 28.738 0.111 0.000 0.895 682 Q HN 0.690 nan 8.270 nan 0.000 0.427 683 G N 1.227 110.123 108.800 0.161 0.000 2.649 683 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.220 683 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.220 683 G C 1.477 176.511 174.900 0.224 0.000 1.189 683 G CA 1.584 46.786 45.100 0.171 0.000 0.777 683 G HN 0.476 nan 8.290 nan 0.000 0.602 684 A N -0.022 122.925 122.820 0.212 0.000 1.869 684 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 684 A C 2.230 179.961 177.584 0.245 0.000 1.203 684 A CA 1.956 54.128 52.037 0.224 0.000 0.638 684 A CB -1.103 17.994 19.000 0.161 0.000 0.831 684 A HN 0.583 nan 8.150 nan 0.000 0.450 685 W N -0.513 120.887 121.300 0.167 0.000 2.308 685 W HA -0.212 4.448 4.660 -0.001 0.000 0.301 685 W C 2.781 179.378 176.519 0.129 0.000 1.220 685 W CA 2.025 59.465 57.345 0.159 0.000 1.240 685 W CB -0.074 29.456 29.460 0.115 0.000 1.142 685 W HN 0.311 nan 8.180 nan 0.000 0.521 686 R N -1.104 119.617 120.500 0.369 0.000 2.056 686 R HA -0.157 4.182 4.340 -0.001 0.000 0.227 686 R C 2.204 178.611 176.300 0.177 0.000 1.149 686 R CA 1.785 58.026 56.100 0.235 0.000 0.937 686 R CB -1.184 29.222 30.300 0.177 0.000 0.835 686 R HN 0.137 nan 8.270 nan 0.000 0.430 687 F N 1.456 121.437 119.950 0.053 0.000 2.154 687 F HA -0.186 4.340 4.527 -0.000 0.000 0.301 687 F C 1.624 177.424 175.800 0.000 0.000 1.087 687 F CA 1.474 59.467 58.000 -0.012 0.000 1.274 687 F CB -0.176 38.776 39.000 -0.080 0.000 1.009 687 F HN -0.003 nan 8.300 nan 0.000 0.485 688 L N -0.185 120.892 121.223 -0.244 0.000 2.395 688 L HA -0.127 4.212 4.340 -0.001 0.000 0.218 688 L C 2.032 178.707 176.870 -0.325 0.000 1.130 688 L CA 0.663 55.248 54.840 -0.425 0.000 0.826 688 L CB -0.601 41.269 42.059 -0.315 0.000 0.941 688 L HN 0.256 nan 8.230 nan 0.000 0.451 689 N N 0.028 118.689 118.700 -0.065 0.000 2.368 689 N HA -0.033 4.707 4.740 -0.001 0.000 0.178 689 N C 1.782 177.347 175.510 0.092 0.000 1.021 689 N CA 0.421 53.528 53.050 0.094 0.000 0.875 689 N CB 0.166 38.799 38.487 0.244 0.000 1.020 689 N HN 0.259 nan 8.380 nan 0.000 0.433 690 R N 1.097 121.599 120.500 0.003 0.000 2.139 690 R HA -0.052 4.287 4.340 -0.001 0.000 0.243 690 R C 2.193 178.511 176.300 0.029 0.000 1.145 690 R CA 0.923 57.022 56.100 -0.002 0.000 0.976 690 R CB -0.272 29.911 30.300 -0.194 0.000 0.866 690 R HN 0.274 nan 8.270 nan 0.000 0.449 691 I N -0.798 119.671 120.570 -0.169 0.000 2.113 691 I HA -0.327 3.842 4.170 -0.001 0.000 0.238 691 I C 2.221 178.327 176.117 -0.017 0.000 1.070 691 I CA 1.439 62.647 61.300 -0.153 0.000 1.332 691 I CB -0.523 37.343 38.000 -0.223 0.000 1.044 691 I HN 0.114 nan 8.210 nan 0.000 0.402 692 Y N 1.880 122.116 120.300 -0.107 0.000 2.049 692 Y HA -0.285 4.264 4.550 -0.001 0.000 0.277 692 Y C 2.887 178.874 175.900 0.144 0.000 1.143 692 Y CA 1.735 59.832 58.100 -0.005 0.000 1.115 692 Y CB -0.365 38.097 38.460 0.004 0.000 0.975 692 Y HN -0.078 nan 8.280 nan 0.000 0.487 693 R N -0.502 120.262 120.500 0.440 0.000 2.094 693 R HA -0.263 4.077 4.340 -0.001 0.000 0.239 693 R C 2.380 178.804 176.300 0.207 0.000 1.137 693 R CA 1.929 58.250 56.100 0.368 0.000 0.943 693 R CB -0.399 30.098 30.300 0.328 0.000 0.850 693 R HN 0.151 nan 8.270 nan 0.000 0.433 694 R N 0.311 120.910 120.500 0.165 0.000 2.139 694 R HA -0.107 4.233 4.340 -0.001 0.000 0.243 694 R C 1.773 178.099 176.300 0.044 0.000 1.145 694 R CA 1.373 57.473 56.100 0.001 0.000 0.976 694 R CB -0.327 29.947 30.300 -0.043 0.000 0.866 694 R HN 0.106 nan 8.270 nan 0.000 0.449 695 V N -0.269 119.693 119.914 0.079 0.000 3.052 695 V HA 0.098 4.218 4.120 -0.001 0.000 0.254 695 V C 2.000 178.298 176.094 0.339 0.000 1.100 695 V CA 1.128 63.541 62.300 0.188 0.000 1.112 695 V CB 0.088 32.008 31.823 0.161 0.000 0.738 695 V HN 0.444 nan 8.190 nan 0.000 0.469 696 A N -0.163 122.803 122.820 0.243 0.000 1.898 696 A HA -0.169 4.151 4.320 -0.001 0.000 0.214 696 A C 2.171 179.798 177.584 0.071 0.000 1.183 696 A CA 1.489 53.630 52.037 0.173 0.000 0.622 696 A CB -0.367 18.788 19.000 0.258 0.000 0.824 696 A HN 0.521 nan 8.150 nan 0.000 0.444 697 E N -0.329 119.924 120.200 0.087 0.000 2.265 697 E HA -0.173 4.176 4.350 -0.001 0.000 0.196 697 E C 0.123 176.731 176.600 0.014 0.000 0.996 697 E CA 1.161 57.582 56.400 0.034 0.000 0.832 697 E CB 0.065 29.771 29.700 0.011 0.000 0.756 697 E HN 0.497 nan 8.360 nan 0.000 0.491 698 D N -0.893 119.544 120.400 0.061 0.000 2.462 698 D HA 0.043 4.682 4.640 -0.001 0.000 0.221 698 D C 1.150 177.521 176.300 0.120 0.000 1.173 698 D CA -0.110 53.935 54.000 0.075 0.000 0.831 698 D CB 0.218 41.106 40.800 0.147 0.000 1.001 698 D HN 0.075 nan 8.370 nan 0.000 0.499 699 R N 0.961 121.505 120.500 0.073 0.000 2.073 699 R HA -0.109 4.231 4.340 -0.001 0.000 0.234 699 R C 1.853 178.167 176.300 0.024 0.000 1.134 699 R CA 1.196 57.321 56.100 0.041 0.000 0.952 699 R CB 0.270 30.357 30.300 -0.355 0.000 0.850 699 R HN -0.021 nan 8.270 nan 0.000 0.433 700 E N -0.123 120.052 120.200 -0.042 0.000 2.076 700 E HA -0.079 4.270 4.350 -0.001 0.000 0.190 700 E C 1.612 178.205 176.600 -0.011 0.000 0.979 700 E CA 1.014 57.388 56.400 -0.043 0.000 0.807 700 E CB 0.037 29.699 29.700 -0.064 0.000 0.761 700 E HN 0.428 nan 8.360 nan 0.000 0.454 701 A N 0.482 123.297 122.820 -0.008 0.000 2.225 701 A HA -0.070 4.250 4.320 -0.001 0.000 0.215 701 A C 2.019 179.604 177.584 0.002 0.000 1.164 701 A CA 0.726 52.754 52.037 -0.016 0.000 0.710 701 A CB -0.190 18.785 19.000 -0.041 0.000 0.780 701 A HN 0.177 nan 8.150 nan 0.000 0.473 702 L N -2.210 119.034 121.223 0.035 0.000 2.356 702 L HA 0.129 4.469 4.340 -0.001 0.000 0.193 702 L C 2.199 179.071 176.870 0.004 0.000 1.087 702 L CA 0.231 55.067 54.840 -0.007 0.000 0.817 702 L CB -0.552 41.430 42.059 -0.129 0.000 1.035 702 L HN 0.262 nan 8.230 nan 0.000 0.482 703 L N 0.819 122.094 121.223 0.087 0.000 2.058 703 L HA -0.295 4.044 4.340 -0.001 0.000 0.226 703 L C 1.959 178.832 176.870 0.005 0.000 1.089 703 L CA 2.052 56.921 54.840 0.050 0.000 0.799 703 L CB -0.544 41.523 42.059 0.014 0.000 0.900 703 L HN 0.422 nan 8.230 nan 0.000 0.442 704 E N -0.687 119.512 120.200 -0.002 0.000 2.351 704 E HA 0.071 4.421 4.350 -0.001 0.000 0.236 704 E C -0.632 175.966 176.600 -0.003 0.000 1.341 704 E CA 0.014 56.411 56.400 -0.006 0.000 1.579 704 E CB -0.238 29.455 29.700 -0.013 0.000 1.393 704 E HN 0.262 nan 8.360 nan 0.000 0.438 705 T N -0.124 114.430 114.554 -0.000 0.000 2.923 705 T HA 0.242 4.592 4.350 -0.001 0.000 0.311 705 T C -1.038 173.675 174.700 0.022 0.000 1.183 705 T CA -0.691 61.414 62.100 0.007 0.000 1.020 705 T CB 1.947 70.816 68.868 0.002 0.000 1.165 705 T HN 0.025 nan 8.240 nan 0.000 0.482 706 S N 0.374 116.100 115.700 0.044 0.000 2.475 706 S HA 0.572 5.042 4.470 -0.001 0.000 0.298 706 S C 1.090 175.755 174.600 0.109 0.000 1.119 706 S CA -0.529 57.713 58.200 0.070 0.000 1.085 706 S CB 0.754 63.992 63.200 0.063 0.000 1.028 706 S HN 0.940 nan 8.310 nan 0.000 0.489 707 G N 2.945 111.822 108.800 0.130 0.000 3.474 707 G HA2 0.353 4.313 3.960 -0.001 0.000 0.269 707 G HA3 0.353 4.313 3.960 -0.001 0.000 0.269 707 G C -0.278 174.741 174.900 0.198 0.000 1.339 707 G CA -0.024 45.186 45.100 0.183 0.000 1.258 707 G HN 0.533 nan 8.290 nan 0.000 0.560 708 V N 0.935 120.959 119.914 0.184 0.000 2.555 708 V HA 0.852 4.971 4.120 -0.001 0.000 0.302 708 V C -0.746 175.452 176.094 0.173 0.000 1.038 708 V CA -0.646 61.673 62.300 0.031 0.000 0.887 708 V CB 1.357 33.177 31.823 -0.005 0.000 0.991 708 V HN 0.425 nan 8.190 nan 0.000 0.434 709 F N 1.606 121.525 119.950 -0.053 0.000 2.704 709 F HA 0.412 4.939 4.527 -0.001 0.000 0.312 709 F C -0.870 174.875 175.800 -0.091 0.000 1.108 709 F CA -0.967 56.992 58.000 -0.069 0.000 1.005 709 F CB 1.537 40.485 39.000 -0.086 0.000 1.277 709 F HN 0.403 nan 8.300 nan 0.000 0.445 710 Q N 2.535 122.369 119.800 0.057 0.000 2.286 710 Q HA 0.439 4.779 4.340 -0.001 0.000 0.265 710 Q C 1.190 177.193 176.000 0.004 0.000 1.080 710 Q CA 0.480 56.269 55.803 -0.023 0.000 0.906 710 Q CB 1.604 30.342 28.738 0.001 0.000 1.227 710 Q HN 1.015 nan 8.270 nan 0.000 0.409 711 A N 4.523 127.279 122.820 -0.106 0.000 1.896 711 A HA -0.267 4.053 4.320 -0.001 0.000 0.220 711 A C 1.402 178.939 177.584 -0.078 0.000 1.206 711 A CA 2.116 54.066 52.037 -0.146 0.000 0.647 711 A CB -0.237 18.685 19.000 -0.129 0.000 0.828 711 A HN 0.840 nan 8.150 nan 0.000 0.455 712 E N -0.757 119.429 120.200 -0.024 0.000 2.502 712 E HA 0.341 4.691 4.350 -0.001 0.000 0.194 712 E C 1.278 177.885 176.600 0.012 0.000 1.062 712 E CA 0.580 56.984 56.400 0.007 0.000 0.867 712 E CB 0.006 29.713 29.700 0.012 0.000 0.888 712 E HN 0.578 nan 8.360 nan 0.000 0.510 713 A N 0.275 123.102 122.820 0.011 0.000 2.430 713 A HA 0.226 4.545 4.320 -0.001 0.000 0.243 713 A C 0.284 177.878 177.584 0.016 0.000 1.254 713 A CA -0.333 51.714 52.037 0.017 0.000 0.914 713 A CB 0.138 19.150 19.000 0.019 0.000 0.998 713 A HN 0.103 nan 8.150 nan 0.000 0.515 714 L N 1.907 123.133 121.223 0.005 0.000 2.410 714 L HA 0.255 4.595 4.340 -0.001 0.000 0.273 714 L C 0.174 177.053 176.870 0.016 0.000 1.152 714 L CA 0.010 54.842 54.840 -0.013 0.000 0.855 714 L CB 0.587 42.606 42.059 -0.067 0.000 1.129 714 L HN 0.554 nan 8.230 nan 0.000 0.463 715 E N 1.905 122.116 120.200 0.019 0.000 2.312 715 E HA 0.710 5.060 4.350 -0.001 0.000 0.267 715 E C 0.371 176.994 176.600 0.038 0.000 0.894 715 E CA -0.431 55.987 56.400 0.030 0.000 0.773 715 E CB 2.102 31.814 29.700 0.020 0.000 1.241 715 E HN 0.625 nan 8.360 nan 0.000 0.432 716 G N 2.448 111.274 108.800 0.042 0.000 2.595 716 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.297 716 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.297 716 G C 0.692 175.634 174.900 0.071 0.000 1.181 716 G CA 0.471 45.597 45.100 0.043 0.000 0.963 716 G HN 0.522 nan 8.290 nan 0.000 0.541 717 K N 0.736 121.187 120.400 0.085 0.000 2.242 717 K HA 0.088 4.407 4.320 -0.001 0.000 0.200 717 K C 1.959 178.711 176.600 0.254 0.000 1.050 717 K CA 1.045 57.425 56.287 0.155 0.000 0.981 717 K CB -0.098 32.470 32.500 0.114 0.000 0.795 717 K HN 0.412 nan 8.250 nan 0.000 0.477 718 D N 1.175 121.700 120.400 0.207 0.000 2.218 718 D HA -0.142 4.498 4.640 -0.001 0.000 0.204 718 D C 1.840 178.194 176.300 0.090 0.000 0.976 718 D CA 0.931 55.015 54.000 0.139 0.000 0.853 718 D CB -0.006 40.816 40.800 0.037 0.000 0.939 718 D HN 0.132 nan 8.370 nan 0.000 0.481 719 R N 0.454 121.017 120.500 0.105 0.000 2.093 719 R HA -0.045 4.295 4.340 -0.001 0.000 0.224 719 R C 1.930 178.334 176.300 0.174 0.000 1.101 719 R CA 0.850 57.027 56.100 0.130 0.000 0.979 719 R CB 0.147 30.505 30.300 0.096 0.000 0.877 719 R HN 0.114 nan 8.270 nan 0.000 0.441 720 E N 0.304 120.595 120.200 0.151 0.000 2.015 720 E HA -0.204 4.145 4.350 -0.001 0.000 0.191 720 E C 1.933 178.629 176.600 0.161 0.000 0.991 720 E CA 1.210 57.699 56.400 0.147 0.000 0.802 720 E CB -0.097 29.686 29.700 0.138 0.000 0.759 720 E HN 0.149 nan 8.360 nan 0.000 0.447 721 L N 0.454 121.772 121.223 0.157 0.000 1.978 721 L HA -0.268 4.072 4.340 -0.001 0.000 0.218 721 L C 2.278 179.242 176.870 0.157 0.000 1.075 721 L CA 2.156 57.069 54.840 0.122 0.000 0.767 721 L CB -0.974 40.995 42.059 -0.150 0.000 0.890 721 L HN 0.308 nan 8.230 nan 0.000 0.434 722 Y N 0.338 120.653 120.300 0.025 0.000 2.181 722 Y HA -0.215 4.335 4.550 -0.001 0.000 0.284 722 Y C 2.149 178.135 175.900 0.145 0.000 1.179 722 Y CA 1.928 60.072 58.100 0.073 0.000 1.179 722 Y CB -0.886 37.625 38.460 0.085 0.000 0.973 722 Y HN 0.275 nan 8.280 nan 0.000 0.519 723 G N -0.075 108.792 108.800 0.112 0.000 2.453 723 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.215 723 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.215 723 G C 1.628 176.509 174.900 -0.032 0.000 1.201 723 G CA 1.111 46.227 45.100 0.027 0.000 0.784 723 G HN 0.378 nan 8.290 nan 0.000 0.545 724 K N 0.141 120.554 120.400 0.022 0.000 2.044 724 K HA -0.108 4.212 4.320 -0.001 0.000 0.210 724 K C 2.326 178.781 176.600 -0.240 0.000 1.049 724 K CA 1.375 57.664 56.287 0.003 0.000 0.927 724 K CB -0.742 31.863 32.500 0.174 0.000 0.713 724 K HN 0.239 nan 8.250 nan 0.000 0.443 725 L N 0.658 121.654 121.223 -0.377 0.000 1.951 725 L HA -0.262 4.078 4.340 -0.001 0.000 0.222 725 L C 1.932 178.469 176.870 -0.555 0.000 1.078 725 L CA 2.385 56.715 54.840 -0.851 0.000 0.778 725 L CB -1.100 40.687 42.059 -0.454 0.000 0.893 725 L HN 0.455 nan 8.230 nan 0.000 0.436 726 H N -1.141 117.712 119.070 -0.362 0.000 2.456 726 H HA -0.147 4.409 4.556 -0.001 0.000 0.296 726 H C 2.202 177.406 175.328 -0.206 0.000 1.079 726 H CA 1.498 57.381 56.048 -0.275 0.000 1.322 726 H CB 0.159 29.724 29.762 -0.329 0.000 1.388 726 H HN 0.547 nan 8.280 nan 0.000 0.538 727 E N -0.633 119.520 120.200 -0.080 0.000 2.077 727 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 727 E C 2.061 178.597 176.600 -0.108 0.000 0.989 727 E CA 1.430 57.790 56.400 -0.067 0.000 0.800 727 E CB 0.140 29.812 29.700 -0.046 0.000 0.746 727 E HN 0.328 nan 8.360 nan 0.000 0.452 728 T N 1.113 115.537 114.554 -0.216 0.000 2.674 728 T HA -0.158 4.192 4.350 -0.001 0.000 0.265 728 T C 1.675 176.265 174.700 -0.183 0.000 1.039 728 T CA 0.985 62.946 62.100 -0.232 0.000 1.150 728 T CB -0.310 68.290 68.868 -0.446 0.000 0.864 728 T HN 0.055 nan 8.240 nan 0.000 0.427 729 L N 1.995 123.076 121.223 -0.238 0.000 1.991 729 L HA -0.156 4.184 4.340 -0.001 0.000 0.221 729 L C 2.321 179.162 176.870 -0.048 0.000 1.079 729 L CA 2.042 56.774 54.840 -0.180 0.000 0.778 729 L CB -1.010 40.887 42.059 -0.269 0.000 0.893 729 L HN 0.187 nan 8.230 nan 0.000 0.437 730 K N -0.888 119.495 120.400 -0.029 0.000 2.107 730 K HA -0.303 4.017 4.320 -0.001 0.000 0.211 730 K C 2.249 178.850 176.600 0.003 0.000 1.049 730 K CA 2.201 58.492 56.287 0.008 0.000 0.927 730 K CB -0.107 32.393 32.500 -0.001 0.000 0.714 730 K HN 0.188 nan 8.250 nan 0.000 0.452 731 K N 0.436 120.822 120.400 -0.022 0.000 2.076 731 K HA -0.036 4.283 4.320 -0.001 0.000 0.204 731 K C 1.797 178.382 176.600 -0.024 0.000 1.051 731 K CA 1.138 57.410 56.287 -0.025 0.000 0.949 731 K CB -0.163 32.318 32.500 -0.031 0.000 0.726 731 K HN 0.020 nan 8.250 nan 0.000 0.443 732 V N 0.513 120.421 119.914 -0.011 0.000 2.343 732 V HA -0.223 3.896 4.120 -0.001 0.000 0.247 732 V C 2.021 178.132 176.094 0.029 0.000 1.051 732 V CA 2.310 64.628 62.300 0.029 0.000 1.036 732 V CB -0.751 31.115 31.823 0.072 0.000 0.654 732 V HN 0.388 nan 8.190 nan 0.000 0.451 733 T N -0.578 114.037 114.554 0.103 0.000 2.770 733 T HA -0.146 4.204 4.350 -0.001 0.000 0.263 733 T C 1.854 176.537 174.700 -0.027 0.000 1.039 733 T CA 1.427 63.604 62.100 0.129 0.000 1.142 733 T CB -0.200 68.883 68.868 0.358 0.000 0.868 733 T HN 0.539 nan 8.240 nan 0.000 0.435 734 E N 0.733 120.927 120.200 -0.010 0.000 2.153 734 E HA -0.139 4.211 4.350 -0.001 0.000 0.194 734 E C 1.544 178.076 176.600 -0.114 0.000 0.988 734 E CA 0.909 57.285 56.400 -0.041 0.000 0.811 734 E CB 0.003 29.692 29.700 -0.019 0.000 0.746 734 E HN 0.327 nan 8.360 nan 0.000 0.466 735 D N -0.081 120.234 120.400 -0.142 0.000 2.348 735 D HA 0.012 4.651 4.640 -0.001 0.000 0.211 735 D C 1.748 177.817 176.300 -0.385 0.000 0.998 735 D CA 0.244 54.120 54.000 -0.208 0.000 0.873 735 D CB 0.268 40.988 40.800 -0.134 0.000 0.925 735 D HN 0.166 nan 8.370 nan 0.000 0.524 736 L N 0.730 121.675 121.223 -0.464 0.000 2.095 736 L HA -0.072 4.267 4.340 -0.001 0.000 0.204 736 L C 2.272 178.802 176.870 -0.566 0.000 1.080 736 L CA 0.884 55.278 54.840 -0.744 0.000 0.759 736 L CB -0.058 41.149 42.059 -1.420 0.000 0.914 736 L HN -0.033 nan 8.230 nan 0.000 0.439 737 E N 0.348 120.348 120.200 -0.333 0.000 2.072 737 E HA -0.182 4.168 4.350 -0.001 0.000 0.191 737 E C 2.179 178.684 176.600 -0.159 0.000 0.985 737 E CA 1.258 57.574 56.400 -0.139 0.000 0.801 737 E CB -0.139 29.544 29.700 -0.028 0.000 0.750 737 E HN 0.456 nan 8.360 nan 0.000 0.452 738 A N 1.106 123.814 122.820 -0.187 0.000 2.121 738 A HA -0.045 4.274 4.320 -0.001 0.000 0.218 738 A C 0.847 178.307 177.584 -0.206 0.000 1.154 738 A CA 0.406 52.359 52.037 -0.140 0.000 0.679 738 A CB -0.195 18.738 19.000 -0.113 0.000 0.795 738 A HN 0.235 nan 8.150 nan 0.000 0.458 739 L N -1.786 119.126 121.223 -0.518 0.000 3.512 739 L HA -0.154 4.186 4.340 -0.001 0.000 0.446 739 L C 0.388 176.774 176.870 -0.807 0.000 1.290 739 L CA 0.834 55.098 54.840 -0.961 0.000 0.871 739 L CB -2.114 39.519 42.059 -0.710 0.000 1.767 739 L HN 0.512 nan 8.230 nan 0.000 0.855 740 R N -0.598 119.475 120.500 -0.712 0.000 3.220 740 R HA 0.319 4.659 4.340 -0.001 0.000 0.324 740 R C 1.030 177.205 176.300 -0.207 0.000 1.283 740 R CA -0.266 55.656 56.100 -0.298 0.000 1.387 740 R CB -0.035 30.172 30.300 -0.156 0.000 1.413 740 R HN 0.279 nan 8.270 nan 0.000 0.610 741 F N 0.633 120.564 119.950 -0.031 0.000 2.293 741 F HA -0.232 4.295 4.527 -0.001 0.000 0.300 741 F C 2.345 178.209 175.800 0.107 0.000 1.086 741 F CA 0.638 58.678 58.000 0.067 0.000 1.375 741 F CB -0.321 38.712 39.000 0.055 0.000 1.045 741 F HN 0.271 nan 8.300 nan 0.000 0.516 742 N N 1.134 119.988 118.700 0.257 0.000 2.011 742 N HA -0.260 4.480 4.740 -0.001 0.000 0.199 742 N C 1.557 177.192 175.510 0.208 0.000 1.047 742 N CA 2.731 55.889 53.050 0.181 0.000 0.863 742 N CB -1.735 36.778 38.487 0.043 0.000 1.056 742 N HN 0.388 nan 8.380 nan 0.000 0.427 743 T N -2.902 111.716 114.554 0.108 0.000 2.985 743 T HA 0.378 4.728 4.350 -0.001 0.000 0.266 743 T C 2.116 176.844 174.700 0.046 0.000 1.076 743 T CA 1.015 63.165 62.100 0.082 0.000 1.135 743 T CB -0.567 68.318 68.868 0.029 0.000 0.890 743 T HN 0.448 nan 8.240 nan 0.000 0.480 744 A N 2.157 124.996 122.820 0.032 0.000 1.873 744 A HA -0.005 4.315 4.320 -0.001 0.000 0.218 744 A C 2.381 179.905 177.584 -0.099 0.000 1.193 744 A CA 1.684 53.720 52.037 -0.001 0.000 0.629 744 A CB -0.883 18.165 19.000 0.080 0.000 0.826 744 A HN 0.578 nan 8.150 nan 0.000 0.447 745 I N -0.765 119.715 120.570 -0.151 0.000 2.193 745 I HA -0.212 3.958 4.170 -0.001 0.000 0.240 745 I C 3.047 178.920 176.117 -0.407 0.000 1.084 745 I CA 0.896 61.925 61.300 -0.452 0.000 1.365 745 I CB -0.752 36.923 38.000 -0.542 0.000 1.064 745 I HN 0.385 nan 8.210 nan 0.000 0.410 746 A N 1.409 124.123 122.820 -0.176 0.000 1.909 746 A HA -0.372 3.948 4.320 -0.001 0.000 0.221 746 A C 2.511 180.020 177.584 -0.126 0.000 1.223 746 A CA 2.827 54.803 52.037 -0.102 0.000 0.658 746 A CB -1.152 18.010 19.000 0.269 0.000 0.831 746 A HN 0.502 nan 8.150 nan 0.000 0.462 747 A N -1.187 121.595 122.820 -0.064 0.000 2.024 747 A HA -0.020 4.300 4.320 -0.001 0.000 0.220 747 A C 2.180 179.756 177.584 -0.014 0.000 1.164 747 A CA 1.529 53.549 52.037 -0.029 0.000 0.643 747 A CB -0.506 18.479 19.000 -0.026 0.000 0.806 747 A HN 0.538 nan 8.150 nan 0.000 0.451 748 L N -1.273 119.894 121.223 -0.094 0.000 2.156 748 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 748 L C 2.699 179.693 176.870 0.207 0.000 1.095 748 L CA 1.240 56.079 54.840 -0.003 0.000 0.770 748 L CB -0.249 41.674 42.059 -0.227 0.000 0.914 748 L HN 0.471 nan 8.230 nan 0.000 0.439 749 M N -1.186 118.397 119.600 -0.028 0.000 2.236 749 M HA -0.193 4.286 4.480 -0.001 0.000 0.266 749 M C 2.080 178.455 176.300 0.125 0.000 1.070 749 M CA 1.429 56.759 55.300 0.050 0.000 1.137 749 M CB -0.441 31.941 32.600 -0.364 0.000 1.378 749 M HN 0.134 nan 8.290 nan 0.000 0.426 750 E N 0.786 121.038 120.200 0.087 0.000 2.097 750 E HA -0.249 4.101 4.350 -0.001 0.000 0.196 750 E C 1.811 178.539 176.600 0.214 0.000 1.000 750 E CA 1.586 58.059 56.400 0.123 0.000 0.804 750 E CB -0.125 29.636 29.700 0.102 0.000 0.740 750 E HN 0.418 nan 8.360 nan 0.000 0.454 751 F N 0.693 120.702 119.950 0.098 0.000 2.146 751 F HA -0.104 4.423 4.527 -0.001 0.000 0.298 751 F C 1.949 177.819 175.800 0.117 0.000 1.096 751 F CA 1.069 59.137 58.000 0.113 0.000 1.275 751 F CB -0.646 38.442 39.000 0.147 0.000 1.008 751 F HN 0.160 nan 8.300 nan 0.000 0.480 752 L N 1.217 122.514 121.223 0.123 0.000 1.990 752 L HA -0.292 4.048 4.340 -0.001 0.000 0.213 752 L C 2.131 179.017 176.870 0.026 0.000 1.072 752 L CA 1.987 56.802 54.840 -0.042 0.000 0.755 752 L CB -1.422 40.696 42.059 0.100 0.000 0.889 752 L HN 0.092 nan 8.230 nan 0.000 0.432 753 N N 0.361 119.093 118.700 0.054 0.000 2.011 753 N HA -0.243 4.497 4.740 -0.001 0.000 0.199 753 N C 1.836 177.401 175.510 0.092 0.000 1.047 753 N CA 2.109 55.188 53.050 0.048 0.000 0.863 753 N CB -0.907 37.610 38.487 0.050 0.000 1.056 753 N HN 0.544 nan 8.380 nan 0.000 0.427 754 A N 0.551 123.415 122.820 0.074 0.000 1.986 754 A HA -0.101 4.219 4.320 -0.001 0.000 0.220 754 A C 2.389 179.991 177.584 0.030 0.000 1.171 754 A CA 1.121 53.207 52.037 0.081 0.000 0.640 754 A CB -0.751 18.337 19.000 0.147 0.000 0.811 754 A HN 0.278 nan 8.150 nan 0.000 0.451 755 L N -2.459 118.686 121.223 -0.130 0.000 2.217 755 L HA -0.125 4.215 4.340 -0.001 0.000 0.211 755 L C 2.376 179.310 176.870 0.106 0.000 1.107 755 L CA 0.922 55.690 54.840 -0.120 0.000 0.783 755 L CB -0.357 41.448 42.059 -0.425 0.000 0.919 755 L HN 0.451 nan 8.230 nan 0.000 0.442 756 Y N -0.314 119.977 120.300 -0.016 0.000 2.184 756 Y HA -0.172 4.377 4.550 -0.001 0.000 0.290 756 Y C 2.687 178.605 175.900 0.030 0.000 1.129 756 Y CA 1.067 59.177 58.100 0.017 0.000 1.144 756 Y CB -0.080 38.382 38.460 0.004 0.000 0.995 756 Y HN 0.076 nan 8.280 nan 0.000 0.513 757 E N -0.870 119.442 120.200 0.186 0.000 2.204 757 E HA -0.240 4.109 4.350 -0.001 0.000 0.195 757 E C 1.899 178.558 176.600 0.099 0.000 0.990 757 E CA 0.891 57.361 56.400 0.116 0.000 0.821 757 E CB -0.389 29.376 29.700 0.108 0.000 0.750 757 E HN 0.589 nan 8.360 nan 0.000 0.477 758 Y N 1.339 121.644 120.300 0.009 0.000 2.163 758 Y HA -0.141 4.409 4.550 -0.001 0.000 0.288 758 Y C 2.123 177.984 175.900 -0.065 0.000 1.136 758 Y CA 1.518 59.612 58.100 -0.009 0.000 1.147 758 Y CB 0.086 38.557 38.460 0.019 0.000 0.987 758 Y HN -0.141 nan 8.280 nan 0.000 0.509 759 R N 0.811 121.244 120.500 -0.111 0.000 2.189 759 R HA -0.064 4.276 4.340 -0.001 0.000 0.218 759 R C 2.059 178.198 176.300 -0.268 0.000 1.074 759 R CA 0.737 56.656 56.100 -0.302 0.000 0.991 759 R CB -0.327 29.824 30.300 -0.249 0.000 0.883 759 R HN 0.432 nan 8.270 nan 0.000 0.457 760 K N 0.555 120.856 120.400 -0.165 0.000 2.160 760 K HA -0.144 4.176 4.320 -0.001 0.000 0.206 760 K C 0.485 176.997 176.600 -0.147 0.000 1.047 760 K CA 1.555 57.772 56.287 -0.117 0.000 0.930 760 K CB 0.122 32.592 32.500 -0.051 0.000 0.720 760 K HN 0.257 nan 8.250 nan 0.000 0.450 761 D N -0.927 119.349 120.400 -0.207 0.000 2.503 761 D HA 0.060 4.700 4.640 -0.001 0.000 0.218 761 D C -0.329 175.808 176.300 -0.272 0.000 1.183 761 D CA 0.015 53.898 54.000 -0.195 0.000 0.827 761 D CB 0.799 41.510 40.800 -0.149 0.000 1.034 761 D HN -0.128 nan 8.370 nan 0.000 0.510 762 R N 1.634 121.887 120.500 -0.412 0.000 2.549 762 R HA 0.284 4.624 4.340 -0.001 0.000 0.291 762 R C -2.756 173.207 176.300 -0.562 0.000 1.164 762 R CA -1.274 54.492 56.100 -0.557 0.000 0.973 762 R CB 2.171 31.880 30.300 -0.984 0.000 1.210 762 R HN -0.124 nan 8.270 nan 0.000 0.422 763 P HA 0.146 nan 4.420 nan 0.000 0.282 763 P C -0.451 176.680 177.300 -0.283 0.000 1.287 763 P CA -0.448 62.472 63.100 -0.300 0.000 0.792 763 P CB 0.732 32.314 31.700 -0.196 0.000 1.163 764 V N 1.236 120.969 119.914 -0.302 0.000 2.500 764 V HA -0.010 4.110 4.120 -0.001 0.000 0.267 764 V C 1.019 177.067 176.094 -0.078 0.000 0.977 764 V CA 1.001 63.148 62.300 -0.254 0.000 1.151 764 V CB -1.704 30.031 31.823 -0.147 0.000 1.013 764 V HN 0.703 nan 8.190 nan 0.000 0.467 765 T N 3.954 118.511 114.554 0.004 0.000 2.945 765 T HA 0.480 4.829 4.350 -0.001 0.000 0.286 765 T C -1.745 172.949 174.700 -0.011 0.000 1.025 765 T CA -2.185 59.918 62.100 0.005 0.000 1.039 765 T CB 1.987 70.864 68.868 0.016 0.000 1.068 765 T HN 0.246 nan 8.240 nan 0.000 0.497 766 P HA -0.230 nan 4.420 nan 0.000 0.216 766 P C 1.861 178.995 177.300 -0.277 0.000 1.167 766 P CA 0.978 64.034 63.100 -0.073 0.000 0.914 766 P CB -0.354 31.345 31.700 -0.002 0.000 0.793 767 V N -1.187 118.283 119.914 -0.740 0.000 2.277 767 V HA -0.327 3.792 4.120 -0.001 0.000 0.255 767 V C 2.260 178.191 176.094 -0.270 0.000 1.074 767 V CA 2.321 64.150 62.300 -0.786 0.000 1.058 767 V CB -1.277 30.184 31.823 -0.603 0.000 0.656 767 V HN 0.067 nan 8.190 nan 0.000 0.449 768 Y N 0.931 121.059 120.300 -0.287 0.000 2.242 768 Y HA -0.169 4.380 4.550 -0.001 0.000 0.291 768 Y C 2.718 178.530 175.900 -0.146 0.000 1.137 768 Y CA 2.347 60.307 58.100 -0.233 0.000 1.181 768 Y CB -0.288 38.104 38.460 -0.114 0.000 0.989 768 Y HN 0.256 nan 8.280 nan 0.000 0.527 769 R N -0.728 119.769 120.500 -0.005 0.000 2.070 769 R HA -0.154 4.185 4.340 -0.001 0.000 0.233 769 R C 2.208 178.462 176.300 -0.076 0.000 1.137 769 R CA 2.022 58.082 56.100 -0.067 0.000 0.945 769 R CB -0.747 29.553 30.300 0.001 0.000 0.845 769 R HN 0.244 nan 8.270 nan 0.000 0.430 770 T N 0.541 115.071 114.554 -0.040 0.000 2.833 770 T HA -0.108 4.242 4.350 -0.001 0.000 0.269 770 T C 1.628 176.167 174.700 -0.269 0.000 1.054 770 T CA 1.216 63.242 62.100 -0.124 0.000 1.135 770 T CB -0.217 68.695 68.868 0.074 0.000 0.869 770 T HN 0.500 nan 8.240 nan 0.000 0.466 771 A N 1.385 124.097 122.820 -0.181 0.000 1.908 771 A HA -0.068 4.252 4.320 -0.001 0.000 0.218 771 A C 2.185 179.744 177.584 -0.042 0.000 1.181 771 A CA 1.197 53.181 52.037 -0.089 0.000 0.627 771 A CB -0.541 18.367 19.000 -0.153 0.000 0.818 771 A HN 0.449 nan 8.150 nan 0.000 0.445 772 I N -0.824 119.632 120.570 -0.190 0.000 2.110 772 I HA -0.185 3.984 4.170 -0.001 0.000 0.236 772 I C 2.539 178.752 176.117 0.159 0.000 1.068 772 I CA 1.594 62.856 61.300 -0.063 0.000 1.333 772 I CB -1.294 36.588 38.000 -0.196 0.000 1.054 772 I HN 0.451 nan 8.210 nan 0.000 0.402 773 R N 0.325 120.903 120.500 0.131 0.000 2.189 773 R HA -0.289 4.051 4.340 -0.001 0.000 0.252 773 R C 2.480 178.933 176.300 0.255 0.000 1.134 773 R CA 2.326 58.424 56.100 -0.003 0.000 0.954 773 R CB -0.554 29.516 30.300 -0.383 0.000 0.890 773 R HN 0.231 nan 8.270 nan 0.000 0.443 774 Y N -0.383 119.910 120.300 -0.011 0.000 2.070 774 Y HA -0.290 4.260 4.550 -0.001 0.000 0.280 774 Y C 2.271 178.159 175.900 -0.019 0.000 1.148 774 Y CA 1.279 59.328 58.100 -0.084 0.000 1.125 774 Y CB -1.535 36.839 38.460 -0.143 0.000 0.975 774 Y HN 0.235 nan 8.280 nan 0.000 0.492 775 Y N 0.470 120.874 120.300 0.173 0.000 2.069 775 Y HA -0.319 4.231 4.550 -0.001 0.000 0.278 775 Y C 2.334 178.300 175.900 0.110 0.000 1.175 775 Y CA 2.057 60.244 58.100 0.146 0.000 1.134 775 Y CB -0.670 37.885 38.460 0.157 0.000 0.965 775 Y HN 0.035 nan 8.280 nan 0.000 0.498 776 L N -0.334 121.080 121.223 0.320 0.000 2.083 776 L HA -0.268 4.072 4.340 -0.001 0.000 0.209 776 L C 2.390 179.301 176.870 0.069 0.000 1.083 776 L CA 1.681 56.675 54.840 0.257 0.000 0.752 776 L CB -0.789 41.545 42.059 0.458 0.000 0.899 776 L HN 0.350 nan 8.230 nan 0.000 0.433 777 Q N -0.483 119.297 119.800 -0.033 0.000 2.167 777 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 777 Q C 2.248 178.163 176.000 -0.142 0.000 0.970 777 Q CA 1.224 56.892 55.803 -0.226 0.000 0.855 777 Q CB -0.109 28.398 28.738 -0.384 0.000 0.911 777 Q HN 0.499 nan 8.270 nan 0.000 0.438 778 M N -0.194 119.267 119.600 -0.232 0.000 2.460 778 M HA -0.103 4.377 4.480 -0.001 0.000 0.263 778 M C 1.512 177.897 176.300 0.141 0.000 1.071 778 M CA 0.801 56.036 55.300 -0.108 0.000 1.096 778 M CB 0.211 32.668 32.600 -0.239 0.000 1.408 778 M HN 0.203 nan 8.290 nan 0.000 0.463 779 L N -1.490 119.758 121.223 0.043 0.000 2.408 779 L HA 0.049 4.389 4.340 -0.001 0.000 0.215 779 L C 1.778 178.810 176.870 0.269 0.000 1.081 779 L CA 0.647 55.561 54.840 0.123 0.000 0.840 779 L CB -0.320 41.720 42.059 -0.032 0.000 1.002 779 L HN 0.112 nan 8.230 nan 0.000 0.468 780 F N 1.834 121.776 119.950 -0.013 0.000 2.154 780 F HA -0.134 4.393 4.527 -0.001 0.000 0.301 780 F C -0.753 174.898 175.800 -0.248 0.000 1.087 780 F CA 1.336 59.224 58.000 -0.187 0.000 1.274 780 F CB -1.409 37.384 39.000 -0.346 0.000 1.009 780 F HN 0.165 nan 8.300 nan 0.000 0.485 781 P HA -0.143 nan 4.420 nan 0.000 0.218 781 P C 1.216 178.132 177.300 -0.640 0.000 1.149 781 P CA 1.853 64.581 63.100 -0.621 0.000 0.817 781 P CB -0.205 31.029 31.700 -0.776 0.000 0.785 782 F N -0.944 118.878 119.950 -0.214 0.000 2.315 782 F HA 0.326 4.853 4.527 -0.001 0.000 0.284 782 F C 1.630 177.364 175.800 -0.111 0.000 1.049 782 F CA 0.095 58.011 58.000 -0.141 0.000 1.323 782 F CB -0.767 38.203 39.000 -0.051 0.000 1.113 782 F HN -0.293 nan 8.300 nan 0.000 0.544 783 A N 1.411 124.330 122.820 0.165 0.000 3.232 783 A HA 0.374 4.694 4.320 -0.001 0.000 0.312 783 A C -1.790 175.805 177.584 0.018 0.000 1.185 783 A CA -1.229 50.881 52.037 0.122 0.000 1.011 783 A CB -0.792 18.289 19.000 0.134 0.000 1.096 783 A HN -0.003 nan 8.150 nan 0.000 0.543 784 P HA -0.207 nan 4.420 nan 0.000 0.218 784 P C 0.737 178.035 177.300 -0.004 0.000 1.148 784 P CA 1.689 64.508 63.100 -0.468 0.000 0.822 784 P CB 0.035 31.059 31.700 -1.126 0.000 0.784 785 H N -0.507 118.734 119.070 0.284 0.000 2.317 785 H HA -0.009 4.547 4.556 -0.001 0.000 0.304 785 H C 1.986 177.383 175.328 0.114 0.000 1.067 785 H CA 0.694 56.894 56.048 0.253 0.000 1.352 785 H CB -1.243 28.710 29.762 0.319 0.000 1.398 785 H HN -0.007 nan 8.280 nan 0.000 0.510 786 L N 1.191 122.581 121.223 0.279 0.000 2.191 786 L HA -0.021 4.319 4.340 -0.001 0.000 0.212 786 L C 2.179 179.077 176.870 0.046 0.000 1.103 786 L CA 1.639 56.551 54.840 0.121 0.000 0.769 786 L CB -0.989 41.032 42.059 -0.063 0.000 0.908 786 L HN 0.285 nan 8.230 nan 0.000 0.438 787 A N -0.900 121.974 122.820 0.090 0.000 1.969 787 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 787 A C 2.279 179.907 177.584 0.073 0.000 1.169 787 A CA 1.507 53.614 52.037 0.117 0.000 0.635 787 A CB -0.480 18.640 19.000 0.200 0.000 0.810 787 A HN 0.544 nan 8.150 nan 0.000 0.445 788 E N -0.541 119.636 120.200 -0.037 0.000 2.170 788 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 788 E C 1.914 178.366 176.600 -0.247 0.000 0.981 788 E CA 1.065 57.276 56.400 -0.315 0.000 0.830 788 E CB -0.042 29.143 29.700 -0.857 0.000 0.775 788 E HN 0.516 nan 8.360 nan 0.000 0.470 789 E N 0.336 120.454 120.200 -0.137 0.000 2.051 789 E HA -0.130 4.220 4.350 -0.001 0.000 0.192 789 E C 1.838 178.233 176.600 -0.340 0.000 0.991 789 E CA 1.255 57.693 56.400 0.063 0.000 0.799 789 E CB -0.209 29.577 29.700 0.143 0.000 0.748 789 E HN 0.334 nan 8.360 nan 0.000 0.449 790 L N -0.452 120.539 121.223 -0.386 0.000 2.109 790 L HA -0.107 4.232 4.340 -0.001 0.000 0.207 790 L C 2.507 179.442 176.870 0.108 0.000 1.086 790 L CA 1.090 55.639 54.840 -0.486 0.000 0.760 790 L CB -0.742 41.164 42.059 -0.254 0.000 0.910 790 L HN 0.374 nan 8.230 nan 0.000 0.437 791 W N 1.571 122.926 121.300 0.092 0.000 2.333 791 W HA -0.267 4.393 4.660 -0.001 0.000 0.316 791 W C 2.327 179.006 176.519 0.266 0.000 1.215 791 W CA 2.006 59.542 57.345 0.319 0.000 1.278 791 W CB -0.465 29.068 29.460 0.123 0.000 1.154 791 W HN 0.258 nan 8.180 nan 0.000 0.486 792 H N -1.491 117.802 119.070 0.371 0.000 2.545 792 H HA -0.137 4.418 4.556 -0.001 0.000 0.282 792 H C 1.740 177.161 175.328 0.155 0.000 1.020 792 H CA 1.760 57.991 56.048 0.305 0.000 1.243 792 H CB -0.610 29.410 29.762 0.430 0.000 1.377 792 H HN 0.095 nan 8.280 nan 0.000 0.581 793 W N -0.442 120.776 121.300 -0.138 0.000 2.421 793 W HA -0.119 4.541 4.660 -0.001 0.000 0.270 793 W C 0.818 176.731 176.519 -1.011 0.000 1.233 793 W CA 1.047 58.012 57.345 -0.633 0.000 1.226 793 W CB -0.579 28.263 29.460 -1.030 0.000 1.121 793 W HN 0.273 nan 8.180 nan 0.000 0.579 794 F N -4.067 115.716 119.950 -0.278 0.000 2.495 794 F HA 0.181 4.708 4.527 -0.001 0.000 0.272 794 F C 0.999 176.335 175.800 -0.773 0.000 0.919 794 F CA -0.502 57.036 58.000 -0.770 0.000 1.178 794 F CB -0.819 37.220 39.000 -1.600 0.000 1.030 794 F HN -0.419 nan 8.300 nan 0.000 0.777 795 W N 3.217 124.402 121.300 -0.192 0.000 2.448 795 W HA 0.308 4.967 4.660 -0.001 0.000 0.339 795 W C -1.640 174.821 176.519 -0.096 0.000 1.124 795 W CA -1.707 55.466 57.345 -0.288 0.000 1.262 795 W CB 0.141 29.144 29.460 -0.762 0.000 1.251 795 W HN -0.174 nan 8.180 nan 0.000 0.597 796 P HA -0.040 nan 4.420 nan 0.000 0.226 796 P C 0.102 177.611 177.300 0.349 0.000 1.161 796 P CA 1.212 64.472 63.100 0.267 0.000 0.804 796 P CB 0.839 32.679 31.700 0.233 0.000 0.829 797 D N -0.661 119.951 120.400 0.352 0.000 2.442 797 D HA 0.193 4.833 4.640 -0.001 0.000 0.254 797 D C 0.038 176.555 176.300 0.363 0.000 1.069 797 D CA -0.470 53.783 54.000 0.422 0.000 1.017 797 D CB 1.426 42.437 40.800 0.351 0.000 1.172 797 D HN -0.149 nan 8.370 nan 0.000 0.561 798 S N -0.259 115.712 115.700 0.451 0.000 2.589 798 S HA 0.079 4.548 4.470 -0.001 0.000 0.265 798 S C 1.521 175.898 174.600 -0.373 0.000 1.342 798 S CA -0.369 57.981 58.200 0.250 0.000 1.005 798 S CB 0.311 63.754 63.200 0.405 0.000 0.909 798 S HN 0.394 nan 8.310 nan 0.000 0.555 799 L N 2.411 123.082 121.223 -0.921 0.000 2.362 799 L HA 0.011 4.351 4.340 -0.001 0.000 0.219 799 L C 1.716 177.911 176.870 -1.125 0.000 1.134 799 L CA 0.912 54.853 54.840 -1.498 0.000 0.807 799 L CB -0.364 40.460 42.059 -2.059 0.000 0.927 799 L HN 0.750 nan 8.230 nan 0.000 0.447 800 F N 0.247 119.673 119.950 -0.873 0.000 2.234 800 F HA -0.167 4.360 4.527 -0.001 0.000 0.299 800 F C 2.400 178.024 175.800 -0.294 0.000 1.087 800 F CA 1.049 58.708 58.000 -0.567 0.000 1.340 800 F CB 0.146 38.641 39.000 -0.843 0.000 1.031 800 F HN 0.141 nan 8.300 nan 0.000 0.500 801 E N -0.238 119.939 120.200 -0.040 0.000 2.318 801 E HA -0.003 4.347 4.350 -0.001 0.000 0.193 801 E C 2.261 178.841 176.600 -0.034 0.000 0.998 801 E CA 0.668 57.098 56.400 0.051 0.000 0.859 801 E CB -0.221 29.569 29.700 0.150 0.000 0.812 801 E HN 0.340 nan 8.360 nan 0.000 0.492 802 A N 1.912 124.619 122.820 -0.188 0.000 2.076 802 A HA 0.059 4.379 4.320 -0.001 0.000 0.220 802 A C 1.350 178.859 177.584 -0.126 0.000 1.160 802 A CA 1.197 53.113 52.037 -0.202 0.000 0.653 802 A CB -0.771 17.867 19.000 -0.602 0.000 0.801 802 A HN 0.326 nan 8.150 nan 0.000 0.455 803 G N -3.016 105.726 108.800 -0.096 0.000 2.728 803 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.686 803 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.686 803 G C -0.279 174.625 174.900 0.007 0.000 1.337 803 G CA -0.210 44.877 45.100 -0.020 0.000 0.861 803 G HN 0.844 nan 8.290 nan 0.000 0.597 804 W N 3.660 124.875 121.300 -0.141 0.000 2.529 804 W HA 0.385 5.044 4.660 -0.001 0.000 0.319 804 W C -1.593 174.836 176.519 -0.149 0.000 1.362 804 W CA -1.342 55.927 57.345 -0.127 0.000 1.348 804 W CB 0.469 29.872 29.460 -0.095 0.000 1.403 804 W HN 0.464 nan 8.180 nan 0.000 0.519 805 P HA -0.158 nan 4.420 nan 0.000 0.261 805 P C -0.426 176.552 177.300 -0.538 0.000 1.165 805 P CA 0.974 63.610 63.100 -0.774 0.000 0.759 805 P CB 0.426 31.296 31.700 -1.383 0.000 0.772 806 E N 2.212 122.248 120.200 -0.273 0.000 2.249 806 E HA 0.245 4.595 4.350 -0.001 0.000 0.280 806 E C -0.697 175.911 176.600 0.012 0.000 1.016 806 E CA -0.878 55.480 56.400 -0.070 0.000 0.830 806 E CB 0.639 30.342 29.700 0.005 0.000 1.081 806 E HN 0.230 nan 8.360 nan 0.000 0.395 807 L N 3.896 125.142 121.223 0.038 0.000 2.349 807 L HA 0.171 4.511 4.340 -0.001 0.000 0.275 807 L C -0.511 176.339 176.870 -0.034 0.000 1.115 807 L CA 0.204 55.093 54.840 0.082 0.000 0.820 807 L CB 1.156 43.246 42.059 0.053 0.000 1.135 807 L HN 0.419 nan 8.230 nan 0.000 0.445 808 D N 3.386 123.590 120.400 -0.327 0.000 2.460 808 D HA 0.133 4.773 4.640 -0.001 0.000 0.232 808 D C 0.664 176.771 176.300 -0.321 0.000 1.079 808 D CA -0.155 53.599 54.000 -0.410 0.000 0.864 808 D CB 0.859 41.260 40.800 -0.664 0.000 1.048 808 D HN 0.571 nan 8.370 nan 0.000 0.523 809 E N 2.311 122.428 120.200 -0.137 0.000 2.209 809 E HA -0.171 4.179 4.350 -0.001 0.000 0.196 809 E C 0.829 177.393 176.600 -0.061 0.000 0.993 809 E CA 0.919 57.273 56.400 -0.077 0.000 0.819 809 E CB 0.276 29.954 29.700 -0.037 0.000 0.745 809 E HN 0.455 nan 8.360 nan 0.000 0.477 810 K N 0.156 120.524 120.400 -0.054 0.000 2.487 810 K HA 0.092 4.412 4.320 -0.001 0.000 0.192 810 K C 1.542 178.153 176.600 0.019 0.000 1.027 810 K CA 0.440 56.723 56.287 -0.007 0.000 1.054 810 K CB 0.353 32.861 32.500 0.012 0.000 0.824 810 K HN 0.018 nan 8.250 nan 0.000 0.510 811 A N 0.388 123.189 122.820 -0.032 0.000 2.081 811 A HA 0.060 4.379 4.320 -0.001 0.000 0.214 811 A C 1.705 179.290 177.584 0.002 0.000 1.158 811 A CA 0.497 52.535 52.037 0.000 0.000 0.724 811 A CB -0.183 18.708 19.000 -0.182 0.000 0.826 811 A HN 0.190 nan 8.150 nan 0.000 0.463 812 L N -0.165 121.047 121.223 -0.018 0.000 2.465 812 L HA -0.001 4.338 4.340 -0.001 0.000 0.224 812 L C 0.294 177.173 176.870 0.015 0.000 1.145 812 L CA 0.180 55.019 54.840 -0.002 0.000 0.834 812 L CB -0.415 41.639 42.059 -0.010 0.000 0.944 812 L HN 0.333 nan 8.230 nan 0.000 0.451 813 E N 1.726 121.940 120.200 0.022 0.000 2.292 813 E HA 0.043 4.393 4.350 -0.001 0.000 0.265 813 E C -0.270 176.354 176.600 0.041 0.000 1.093 813 E CA 0.173 56.591 56.400 0.030 0.000 0.922 813 E CB 0.375 30.094 29.700 0.032 0.000 1.001 813 E HN 0.153 nan 8.360 nan 0.000 0.444 814 K N 3.920 124.342 120.400 0.038 0.000 2.297 814 K HA 0.116 4.435 4.320 -0.001 0.000 0.286 814 K C -0.584 176.046 176.600 0.051 0.000 1.053 814 K CA -0.412 55.903 56.287 0.046 0.000 0.940 814 K CB 0.534 33.059 32.500 0.040 0.000 1.019 814 K HN 0.451 nan 8.250 nan 0.000 0.475 815 D N 0.951 121.387 120.400 0.059 0.000 2.696 815 D HA 0.176 4.816 4.640 -0.001 0.000 0.251 815 D C -0.355 175.986 176.300 0.068 0.000 1.188 815 D CA -0.920 53.117 54.000 0.061 0.000 0.876 815 D CB 1.333 42.167 40.800 0.057 0.000 1.334 815 D HN 0.232 nan 8.370 nan 0.000 0.540 816 V N 0.545 120.503 119.914 0.075 0.000 5.534 816 V HA -0.209 3.911 4.120 -0.001 0.000 0.325 816 V C 0.729 176.889 176.094 0.111 0.000 0.622 816 V CA 0.069 62.425 62.300 0.093 0.000 1.198 816 V CB -2.052 29.821 31.823 0.083 0.000 1.407 816 V HN 0.589 nan 8.190 nan 0.000 0.477 817 V N 1.332 121.308 119.914 0.102 0.000 3.697 817 V HA 0.298 4.418 4.120 -0.001 0.000 0.285 817 V C 0.792 176.964 176.094 0.131 0.000 1.041 817 V CA 0.161 62.517 62.300 0.093 0.000 1.045 817 V CB 1.435 33.290 31.823 0.053 0.000 1.227 817 V HN 0.874 nan 8.190 nan 0.000 0.448 818 E N 0.077 120.326 120.200 0.082 0.000 2.129 818 E HA 0.532 4.881 4.350 -0.001 0.000 0.268 818 E C -1.712 174.849 176.600 -0.066 0.000 0.900 818 E CA -0.361 56.021 56.400 -0.030 0.000 0.755 818 E CB 1.647 31.335 29.700 -0.020 0.000 1.117 818 E HN 0.440 nan 8.360 nan 0.000 0.410 819 V N 3.304 123.161 119.914 -0.095 0.000 2.448 819 V HA 0.535 4.655 4.120 -0.001 0.000 0.295 819 V C 0.018 176.070 176.094 -0.070 0.000 1.025 819 V CA -0.804 61.459 62.300 -0.061 0.000 0.859 819 V CB 1.434 33.247 31.823 -0.017 0.000 0.988 819 V HN 0.816 nan 8.190 nan 0.000 0.431 820 A N 4.971 127.755 122.820 -0.059 0.000 2.366 820 A HA 0.676 4.996 4.320 -0.001 0.000 0.272 820 A C -0.277 177.289 177.584 -0.030 0.000 1.135 820 A CA -0.316 51.693 52.037 -0.047 0.000 0.804 820 A CB 0.550 19.526 19.000 -0.039 0.000 1.064 820 A HN 0.716 nan 8.150 nan 0.000 0.499 821 V N 4.033 123.935 119.914 -0.020 0.000 2.432 821 V HA 0.433 4.553 4.120 -0.001 0.000 0.275 821 V C 0.165 176.255 176.094 -0.008 0.000 1.043 821 V CA -0.305 61.992 62.300 -0.005 0.000 0.925 821 V CB 0.701 32.522 31.823 -0.003 0.000 0.985 821 V HN 1.026 nan 8.190 nan 0.000 0.466 822 Q N 3.486 123.284 119.800 -0.004 0.000 2.397 822 Q HA 0.857 5.196 4.340 -0.001 0.000 0.275 822 Q C -1.745 174.254 176.000 -0.001 0.000 1.090 822 Q CA -1.004 54.796 55.803 -0.004 0.000 0.809 822 Q CB 2.730 31.464 28.738 -0.007 0.000 1.362 822 Q HN 0.380 nan 8.270 nan 0.000 0.431 823 V N 2.421 122.335 119.914 -0.001 0.000 2.409 823 V HA 0.300 4.420 4.120 -0.001 0.000 0.290 823 V C -0.484 175.611 176.094 0.002 0.000 1.017 823 V CA -0.973 61.327 62.300 -0.000 0.000 0.841 823 V CB 1.075 32.897 31.823 -0.002 0.000 1.003 823 V HN 0.955 nan 8.190 nan 0.000 0.426 824 N N 4.225 122.927 118.700 0.002 0.000 2.738 824 N HA -0.223 4.517 4.740 -0.001 0.000 0.249 824 N C 1.222 176.733 175.510 0.002 0.000 1.047 824 N CA 1.514 54.565 53.050 0.003 0.000 0.707 824 N CB -1.043 37.447 38.487 0.004 0.000 0.937 824 N HN 1.518 nan 8.380 nan 0.000 0.545 825 G N -0.576 108.224 108.800 0.000 0.000 2.458 825 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.237 825 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.237 825 G C 0.193 175.092 174.900 -0.002 0.000 1.113 825 G CA 0.507 45.606 45.100 -0.001 0.000 0.655 825 G HN 0.544 nan 8.290 nan 0.000 0.513 826 R N 0.866 121.366 120.500 0.001 0.000 2.399 826 R HA 0.369 4.708 4.340 -0.001 0.000 0.324 826 R C 0.431 176.731 176.300 -0.000 0.000 1.030 826 R CA -0.059 56.042 56.100 0.001 0.000 0.984 826 R CB 0.949 31.252 30.300 0.004 0.000 0.961 826 R HN 0.139 nan 8.270 nan 0.000 0.433 827 V N 6.537 126.450 119.914 -0.002 0.000 2.304 827 V HA -0.075 4.044 4.120 -0.001 0.000 0.239 827 V C 1.559 177.652 176.094 -0.002 0.000 1.201 827 V CA 0.323 62.621 62.300 -0.005 0.000 1.254 827 V CB -0.414 31.404 31.823 -0.007 0.000 1.335 827 V HN 0.668 nan 8.190 nan 0.000 0.491 828 R N 2.694 123.193 120.500 -0.001 0.000 2.115 828 R HA -0.056 4.283 4.340 -0.001 0.000 0.239 828 R C 1.056 177.357 176.300 0.002 0.000 1.133 828 R CA 1.337 57.438 56.100 0.003 0.000 0.935 828 R CB -0.398 29.904 30.300 0.003 0.000 0.853 828 R HN 0.738 nan 8.270 nan 0.000 0.433 829 G N -1.713 107.085 108.800 -0.005 0.000 2.550 829 G HA2 0.360 4.319 3.960 -0.001 0.000 0.293 829 G HA3 0.360 4.319 3.960 -0.001 0.000 0.293 829 G C -1.383 173.501 174.900 -0.027 0.000 1.402 829 G CA -0.100 44.994 45.100 -0.009 0.000 0.784 829 G HN 0.190 nan 8.290 nan 0.000 0.482 830 T N -1.613 112.914 114.554 -0.045 0.000 2.855 830 T HA 0.766 5.115 4.350 -0.001 0.000 0.281 830 T C 0.067 174.680 174.700 -0.146 0.000 1.007 830 T CA -0.546 61.495 62.100 -0.099 0.000 1.009 830 T CB 1.275 70.068 68.868 -0.125 0.000 0.983 830 T HN 1.218 nan 8.240 nan 0.000 0.455 831 I N -0.770 119.689 120.570 -0.185 0.000 3.108 831 I HA 0.619 4.788 4.170 -0.001 0.000 0.312 831 I C -0.912 175.022 176.117 -0.304 0.000 1.095 831 I CA -1.433 59.762 61.300 -0.175 0.000 1.000 831 I CB 2.348 40.330 38.000 -0.029 0.000 1.229 831 I HN 0.621 nan 8.210 nan 0.000 0.454 832 H N 3.785 122.881 119.070 0.042 0.000 2.638 832 H HA 0.661 5.217 4.556 -0.000 0.000 0.317 832 H C -1.070 174.287 175.328 0.048 0.000 1.006 832 H CA -0.382 55.692 56.048 0.043 0.000 1.222 832 H CB 1.755 31.539 29.762 0.038 0.000 1.419 832 H HN 0.641 nan 8.280 nan 0.000 0.489 833 I N 0.083 120.741 120.570 0.146 0.000 2.913 833 I HA 0.470 4.640 4.170 -0.001 0.000 0.302 833 I C -3.131 173.052 176.117 0.111 0.000 1.246 833 I CA -2.718 58.653 61.300 0.118 0.000 1.010 833 I CB 2.060 40.124 38.000 0.107 0.000 1.259 833 I HN 0.092 nan 8.210 nan 0.000 0.434 834 P HA 0.065 nan 4.420 nan 0.000 0.267 834 P C 0.401 177.760 177.300 0.099 0.000 1.201 834 P CA -0.249 62.902 63.100 0.085 0.000 0.775 834 P CB 0.661 32.402 31.700 0.068 0.000 0.854 835 K N 1.844 122.293 120.400 0.082 0.000 2.015 835 K HA -0.250 4.069 4.320 -0.001 0.000 0.216 835 K C 0.702 177.369 176.600 0.112 0.000 1.052 835 K CA 2.524 58.858 56.287 0.078 0.000 0.937 835 K CB -0.454 32.078 32.500 0.054 0.000 0.719 835 K HN 0.460 nan 8.250 nan 0.000 0.446 836 D N 0.236 120.694 120.400 0.096 0.000 2.355 836 D HA 0.078 4.717 4.640 -0.001 0.000 0.218 836 D C 0.042 176.405 176.300 0.105 0.000 1.004 836 D CA 0.419 54.480 54.000 0.102 0.000 0.880 836 D CB 0.009 40.849 40.800 0.065 0.000 0.911 836 D HN 0.315 nan 8.370 nan 0.000 0.528 837 A N 1.910 124.791 122.820 0.102 0.000 2.558 837 A HA 0.177 4.496 4.320 -0.001 0.000 0.262 837 A C -2.085 175.495 177.584 -0.006 0.000 1.049 837 A CA -0.650 51.420 52.037 0.056 0.000 0.804 837 A CB -0.266 18.777 19.000 0.072 0.000 0.957 837 A HN 0.061 nan 8.150 nan 0.000 0.520 838 P HA 0.299 nan 4.420 nan 0.000 0.276 838 P C 0.961 177.959 177.300 -0.502 0.000 1.261 838 P CA -0.783 62.195 63.100 -0.204 0.000 0.800 838 P CB 0.383 32.020 31.700 -0.106 0.000 1.066 839 L N 0.084 120.915 121.223 -0.654 0.000 2.058 839 L HA -0.288 4.052 4.340 -0.001 0.000 0.226 839 L C 2.104 178.741 176.870 -0.387 0.000 1.089 839 L CA 2.154 56.580 54.840 -0.691 0.000 0.799 839 L CB -1.784 40.098 42.059 -0.295 0.000 0.900 839 L HN 0.399 nan 8.230 nan 0.000 0.442 840 E N -0.765 119.297 120.200 -0.231 0.000 2.204 840 E HA -0.137 4.213 4.350 -0.001 0.000 0.195 840 E C 2.168 178.695 176.600 -0.122 0.000 0.990 840 E CA 1.051 57.369 56.400 -0.137 0.000 0.821 840 E CB -0.176 29.471 29.700 -0.089 0.000 0.750 840 E HN 0.369 nan 8.360 nan 0.000 0.477 841 V N 0.277 120.103 119.914 -0.148 0.000 2.331 841 V HA -0.112 4.007 4.120 -0.001 0.000 0.242 841 V C 2.223 178.269 176.094 -0.081 0.000 1.034 841 V CA 1.426 63.672 62.300 -0.091 0.000 1.027 841 V CB -0.922 30.861 31.823 -0.067 0.000 0.667 841 V HN 0.316 nan 8.190 nan 0.000 0.457 842 A N 0.641 123.380 122.820 -0.134 0.000 1.892 842 A HA -0.313 4.006 4.320 -0.001 0.000 0.218 842 A C 2.373 179.939 177.584 -0.030 0.000 1.188 842 A CA 2.468 54.480 52.037 -0.043 0.000 0.631 842 A CB -0.703 18.298 19.000 0.002 0.000 0.822 842 A HN 0.499 nan 8.150 nan 0.000 0.447 843 R N -0.391 120.067 120.500 -0.070 0.000 2.136 843 R HA -0.253 4.087 4.340 -0.001 0.000 0.242 843 R C 2.293 178.570 176.300 -0.039 0.000 1.131 843 R CA 2.226 58.295 56.100 -0.051 0.000 0.937 843 R CB -0.593 29.669 30.300 -0.064 0.000 0.863 843 R HN 0.468 nan 8.270 nan 0.000 0.435 844 A N 0.754 123.553 122.820 -0.035 0.000 1.865 844 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 844 A C 2.051 179.634 177.584 -0.002 0.000 1.191 844 A CA 1.727 53.755 52.037 -0.016 0.000 0.623 844 A CB -0.612 18.380 19.000 -0.013 0.000 0.826 844 A HN 0.471 nan 8.150 nan 0.000 0.444 845 E N -0.487 119.716 120.200 0.004 0.000 2.268 845 E HA -0.040 4.310 4.350 -0.001 0.000 0.195 845 E C 2.203 178.814 176.600 0.018 0.000 0.995 845 E CA 0.875 57.288 56.400 0.021 0.000 0.836 845 E CB -0.195 29.526 29.700 0.035 0.000 0.763 845 E HN 0.584 nan 8.360 nan 0.000 0.491 846 A N 0.921 123.743 122.820 0.004 0.000 1.874 846 A HA -0.058 4.261 4.320 -0.001 0.000 0.214 846 A C 2.160 179.732 177.584 -0.021 0.000 1.189 846 A CA 0.450 52.484 52.037 -0.005 0.000 0.615 846 A CB -0.653 18.341 19.000 -0.010 0.000 0.830 846 A HN 0.189 nan 8.150 nan 0.000 0.443 847 L N -0.209 120.987 121.223 -0.047 0.000 2.671 847 L HA -0.171 4.169 4.340 -0.001 0.000 0.236 847 L C 0.808 177.699 176.870 0.035 0.000 1.178 847 L CA 1.594 56.383 54.840 -0.086 0.000 0.829 847 L CB -0.324 41.687 42.059 -0.080 0.000 0.956 847 L HN 0.569 nan 8.230 nan 0.000 0.455 848 K N -1.643 118.785 120.400 0.047 0.000 3.394 848 K HA 0.310 4.630 4.320 -0.001 0.000 0.175 848 K C -0.267 176.365 176.600 0.054 0.000 1.047 848 K CA -0.433 55.899 56.287 0.074 0.000 0.814 848 K CB 0.013 32.553 32.500 0.068 0.000 0.803 848 K HN -0.048 nan 8.250 nan 0.000 0.522 849 V N -1.529 118.413 119.914 0.047 0.000 3.799 849 V HA 0.222 4.342 4.120 -0.001 0.000 0.273 849 V C 1.844 177.962 176.094 0.041 0.000 0.973 849 V CA -0.611 61.711 62.300 0.037 0.000 0.979 849 V CB 0.244 32.081 31.823 0.023 0.000 1.242 849 V HN 0.435 nan 8.190 nan 0.000 0.426 850 R N 1.624 122.146 120.500 0.036 0.000 2.115 850 R HA -0.154 4.186 4.340 -0.001 0.000 0.239 850 R C 1.268 177.589 176.300 0.034 0.000 1.133 850 R CA 2.216 58.338 56.100 0.036 0.000 0.935 850 R CB -0.524 29.796 30.300 0.033 0.000 0.853 850 R HN 0.992 nan 8.270 nan 0.000 0.433 851 N N -0.410 118.310 118.700 0.033 0.000 2.401 851 N HA 0.018 4.757 4.740 -0.001 0.000 0.264 851 N C 0.153 175.688 175.510 0.042 0.000 1.238 851 N CA 0.000 53.070 53.050 0.032 0.000 0.889 851 N CB 0.635 39.138 38.487 0.027 0.000 1.196 851 N HN -0.085 nan 8.380 nan 0.000 0.511 852 V N 0.156 120.102 119.914 0.053 0.000 4.482 852 V HA -0.345 3.775 4.120 -0.001 0.000 0.232 852 V C 1.998 178.141 176.094 0.083 0.000 0.583 852 V CA 1.561 63.910 62.300 0.081 0.000 0.816 852 V CB -2.140 29.745 31.823 0.104 0.000 0.795 852 V HN 0.525 nan 8.190 nan 0.000 1.066 853 R N 1.305 121.836 120.500 0.051 0.000 2.120 853 R HA -0.070 4.269 4.340 -0.001 0.000 0.234 853 R C 2.147 178.469 176.300 0.037 0.000 1.123 853 R CA 2.028 58.152 56.100 0.041 0.000 0.975 853 R CB -0.458 29.857 30.300 0.026 0.000 0.866 853 R HN 0.698 nan 8.270 nan 0.000 0.446 854 A N -0.775 122.057 122.820 0.020 0.000 1.940 854 A HA -0.218 4.101 4.320 -0.001 0.000 0.219 854 A C 1.937 179.504 177.584 -0.027 0.000 1.176 854 A CA 1.939 53.964 52.037 -0.020 0.000 0.631 854 A CB -0.783 18.181 19.000 -0.060 0.000 0.814 854 A HN 0.624 nan 8.150 nan 0.000 0.446 855 H N -1.546 117.530 119.070 0.010 0.000 2.395 855 H HA 0.019 4.575 4.556 -0.001 0.000 0.299 855 H C 1.792 177.125 175.328 0.008 0.000 1.070 855 H CA 0.940 56.993 56.048 0.009 0.000 1.356 855 H CB -0.003 29.764 29.762 0.008 0.000 1.401 855 H HN 0.341 nan 8.280 nan 0.000 0.524 856 L N 0.930 122.236 121.223 0.138 0.000 2.151 856 L HA -0.234 4.106 4.340 -0.001 0.000 0.215 856 L C 1.402 178.308 176.870 0.060 0.000 1.084 856 L CA 1.866 56.752 54.840 0.078 0.000 0.764 856 L CB -0.205 41.886 42.059 0.052 0.000 0.891 856 L HN 0.573 nan 8.230 nan 0.000 0.435 857 E N -2.244 117.988 120.200 0.054 0.000 3.067 857 E HA 0.245 4.595 4.350 -0.001 0.000 0.188 857 E C 0.718 177.338 176.600 0.032 0.000 0.964 857 E CA 0.495 56.917 56.400 0.038 0.000 1.286 857 E CB -0.014 29.701 29.700 0.025 0.000 1.051 857 E HN 0.219 nan 8.360 nan 0.000 0.465 858 G N 1.503 110.328 108.800 0.042 0.000 4.644 858 G HA2 0.167 4.127 3.960 -0.001 0.000 0.307 858 G HA3 0.167 4.127 3.960 -0.001 0.000 0.307 858 G C 0.364 175.290 174.900 0.044 0.000 1.331 858 G CA -0.513 44.597 45.100 0.017 0.000 1.059 858 G HN -0.044 nan 8.290 nan 0.000 0.590 859 K N 0.048 120.484 120.400 0.060 0.000 2.446 859 K HA 0.229 4.549 4.320 -0.001 0.000 0.203 859 K C 0.542 177.167 176.600 0.042 0.000 1.027 859 K CA 0.278 56.607 56.287 0.070 0.000 1.166 859 K CB 0.718 33.256 32.500 0.064 0.000 0.869 859 K HN 0.315 nan 8.250 nan 0.000 0.504 860 E N -0.576 119.641 120.200 0.029 0.000 3.863 860 E HA 0.115 4.465 4.350 -0.001 0.000 0.197 860 E C -0.593 176.016 176.600 0.013 0.000 1.299 860 E CA -0.309 56.103 56.400 0.020 0.000 1.522 860 E CB 0.619 30.329 29.700 0.016 0.000 1.732 860 E HN -0.125 nan 8.360 nan 0.000 0.560 861 V N 0.724 120.643 119.914 0.009 0.000 3.605 861 V HA -0.213 3.906 4.120 -0.001 0.000 0.515 861 V C 0.303 176.400 176.094 0.005 0.000 0.682 861 V CA 0.635 62.937 62.300 0.004 0.000 2.069 861 V CB -0.930 30.891 31.823 -0.003 0.000 2.488 861 V HN 0.231 nan 8.190 nan 0.000 0.512 862 V N 2.856 122.773 119.914 0.005 0.000 4.508 862 V HA 0.300 4.419 4.120 -0.001 0.000 0.169 862 V C 0.832 176.929 176.094 0.006 0.000 1.084 862 V CA 0.931 63.234 62.300 0.006 0.000 1.371 862 V CB 0.439 32.266 31.823 0.006 0.000 1.878 862 V HN 0.854 nan 8.190 nan 0.000 0.506 863 K N 0.702 121.106 120.400 0.007 0.000 2.107 863 K HA 0.376 4.696 4.320 -0.001 0.000 0.251 863 K C -0.757 175.850 176.600 0.012 0.000 1.012 863 K CA -0.070 56.223 56.287 0.010 0.000 0.920 863 K CB 0.770 33.276 32.500 0.011 0.000 1.033 863 K HN 0.467 nan 8.250 nan 0.000 0.478 864 E N 1.860 122.070 120.200 0.017 0.000 2.308 864 E HA 0.338 4.687 4.350 -0.001 0.000 0.275 864 E C -1.244 175.381 176.600 0.042 0.000 0.890 864 E CA -0.741 55.675 56.400 0.025 0.000 0.754 864 E CB 1.742 31.454 29.700 0.020 0.000 1.207 864 E HN 0.297 nan 8.360 nan 0.000 0.426 865 I N 3.361 123.963 120.570 0.053 0.000 2.466 865 I HA 0.223 4.393 4.170 -0.001 0.000 0.279 865 I C -0.869 175.313 176.117 0.107 0.000 1.033 865 I CA -0.648 60.691 61.300 0.065 0.000 1.123 865 I CB 0.259 38.277 38.000 0.031 0.000 1.237 865 I HN 0.575 nan 8.210 nan 0.000 0.460 866 Y N 6.643 126.940 120.300 -0.006 0.000 2.392 866 Y HA 0.641 5.190 4.550 -0.001 0.000 0.323 866 Y C -0.231 175.667 175.900 -0.004 0.000 1.291 866 Y CA -0.454 57.643 58.100 -0.006 0.000 1.345 866 Y CB 1.520 39.977 38.460 -0.005 0.000 1.320 866 Y HN 0.212 nan 8.280 nan 0.000 0.518 867 V N 6.272 125.825 119.914 -0.603 0.000 2.735 867 V HA 0.144 4.264 4.120 -0.001 0.000 0.276 867 V C -1.977 173.740 176.094 -0.629 0.000 1.083 867 V CA -1.226 60.834 62.300 -0.400 0.000 0.923 867 V CB 1.606 33.304 31.823 -0.209 0.000 1.053 867 V HN 0.704 nan 8.190 nan 0.000 0.471 868 P HA -0.264 nan 4.420 nan 0.000 0.222 868 P C 1.583 178.767 177.300 -0.193 0.000 1.155 868 P CA 2.301 65.280 63.100 -0.202 0.000 0.890 868 P CB 0.232 31.949 31.700 0.029 0.000 0.790 869 G N -0.700 108.003 108.800 -0.160 0.000 2.739 869 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.216 869 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.216 869 G C 1.089 175.923 174.900 -0.110 0.000 1.298 869 G CA 1.255 46.295 45.100 -0.101 0.000 0.804 869 G HN 0.295 nan 8.290 nan 0.000 0.623 870 K N -1.244 119.070 120.400 -0.144 0.000 2.817 870 K HA 0.337 4.656 4.320 -0.001 0.000 0.183 870 K C -1.473 175.052 176.600 -0.125 0.000 1.145 870 K CA -0.328 55.894 56.287 -0.109 0.000 1.114 870 K CB 0.912 33.376 32.500 -0.061 0.000 0.767 870 K HN 0.231 nan 8.250 nan 0.000 0.453 871 I N 1.076 121.526 120.570 -0.200 0.000 2.775 871 I HA 0.390 4.559 4.170 -0.001 0.000 0.295 871 I C -2.315 173.694 176.117 -0.180 0.000 1.287 871 I CA -1.049 60.161 61.300 -0.150 0.000 1.029 871 I CB 2.068 40.003 38.000 -0.109 0.000 1.282 871 I HN 0.004 nan 8.210 nan 0.000 0.426 872 L N 7.359 128.552 121.223 -0.050 0.000 2.446 872 L HA 0.653 4.993 4.340 -0.001 0.000 0.268 872 L C -1.816 175.076 176.870 0.036 0.000 0.975 872 L CA -0.087 54.786 54.840 0.055 0.000 0.848 872 L CB 1.288 43.453 42.059 0.177 0.000 1.225 872 L HN 0.647 nan 8.230 nan 0.000 0.410 873 N N 4.757 123.476 118.700 0.032 0.000 2.392 873 N HA 0.576 5.315 4.740 -0.001 0.000 0.283 873 N C -1.537 173.985 175.510 0.021 0.000 1.003 873 N CA -0.326 52.734 53.050 0.017 0.000 0.892 873 N CB 1.463 39.953 38.487 0.005 0.000 1.193 873 N HN 0.662 nan 8.380 nan 0.000 0.487 874 L N 2.693 123.922 121.223 0.010 0.000 2.307 874 L HA 0.573 4.913 4.340 -0.001 0.000 0.282 874 L C 0.121 176.993 176.870 0.003 0.000 1.051 874 L CA -0.982 53.861 54.840 0.004 0.000 0.804 874 L CB 1.401 43.455 42.059 -0.009 0.000 1.197 874 L HN 0.189 nan 8.230 nan 0.000 0.431 875 V N 3.028 122.945 119.914 0.005 0.000 3.345 875 V HA 0.700 4.820 4.120 -0.001 0.000 0.308 875 V C 0.116 176.213 176.094 0.005 0.000 1.168 875 V CA -0.624 61.680 62.300 0.005 0.000 1.024 875 V CB 2.356 34.183 31.823 0.007 0.000 1.211 875 V HN 0.550 nan 8.190 nan 0.000 0.461 876 V N 0.000 119.918 119.914 0.006 0.000 2.409 876 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 876 V CA 0.000 62.304 62.300 0.007 0.000 1.235 876 V CB 0.000 31.828 31.823 0.008 0.000 1.184 876 V HN 0.000 nan 8.190 nan 0.000 0.556