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 1obh_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEKYNPHAIE AKWQRFWEEK GFMKAKDLPG GXGKQYVLVM FPYPSGDLHM DATA SEQUENCE GHLKNYTMGD VLARFRRMQG YEVLHPMGWD AFGLPAENAA LKFGVHPKDW DATA SEQUENCE TYANIRQAKE SLRLMGILYD WDREVTTCEP EYYRWNQWIF LKMWEKGLAY DATA SEQUENCE RAKXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXE 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 GTPIPMVHcX XXXVVPVPEE DATA SEQUENCE ELPVLLPDLK DVEDIXXXXX SPLEAHPEFY ETTcPXXXXX XKRDTDTMDT 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 ALEK 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 0.000 176.385 176.300 0.141 0.000 1.140 1 M CA 0.000 55.364 55.300 0.107 0.000 0.988 1 M CB 0.000 32.674 32.600 0.123 0.000 1.302 2 E N 4.564 124.870 120.200 0.176 0.000 2.585 2 E HA 0.362 4.711 4.350 -0.002 0.000 0.256 2 E C -1.302 175.444 176.600 0.242 0.000 1.383 2 E CA -0.058 56.452 56.400 0.184 0.000 1.029 2 E CB 0.781 30.601 29.700 0.199 0.000 1.044 2 E HN 0.706 nan 8.360 nan 0.000 0.595 3 K N -0.841 119.623 120.400 0.107 0.000 2.433 3 K HA 0.206 4.525 4.320 -0.002 0.000 0.252 3 K C -0.919 175.450 176.600 -0.385 0.000 1.015 3 K CA -1.107 55.180 56.287 0.000 0.000 0.860 3 K CB 1.099 33.633 32.500 0.057 0.000 1.359 3 K HN 0.438 nan 8.250 nan 0.000 0.452 4 Y N 2.067 121.973 120.300 -0.657 0.000 2.721 4 Y HA -0.017 4.532 4.550 -0.002 0.000 0.329 4 Y C -0.576 175.243 175.900 -0.135 0.000 1.211 4 Y CA 0.273 57.977 58.100 -0.661 0.000 1.512 4 Y CB 0.128 38.475 38.460 -0.188 0.000 1.249 4 Y HN 0.545 nan 8.280 nan 0.000 0.549 5 N N 8.447 126.824 118.700 -0.538 0.000 2.577 5 N HA 0.346 5.085 4.740 -0.002 0.000 0.275 5 N C -2.247 173.024 175.510 -0.399 0.000 1.091 5 N CA -1.974 50.846 53.050 -0.384 0.000 0.843 5 N CB 1.571 40.012 38.487 -0.077 0.000 1.295 5 N HN 0.356 nan 8.380 nan 0.000 0.530 6 P HA -0.179 nan 4.420 nan 0.000 0.216 6 P C 0.132 177.390 177.300 -0.070 0.000 1.150 6 P CA 0.983 63.906 63.100 -0.295 0.000 0.837 6 P CB -0.223 31.274 31.700 -0.338 0.000 0.786 7 H N 0.733 119.731 119.070 -0.121 0.000 3.001 7 H HA 0.186 4.740 4.556 -0.002 0.000 0.334 7 H C 1.095 176.396 175.328 -0.045 0.000 1.034 7 H CA 1.128 57.138 56.048 -0.063 0.000 1.420 7 H CB 0.713 30.448 29.762 -0.046 0.000 1.405 7 H HN 0.279 nan 8.280 nan 0.000 0.593 8 A N 4.170 126.615 122.820 -0.625 0.000 1.710 8 A HA -0.372 3.947 4.320 -0.002 0.000 0.225 8 A C 2.261 179.675 177.584 -0.283 0.000 0.527 8 A CA 1.831 53.533 52.037 -0.559 0.000 1.123 8 A CB -2.496 16.053 19.000 -0.751 0.000 1.445 8 A HN 0.968 nan 8.150 nan 0.000 0.714 9 I N -1.929 118.542 120.570 -0.165 0.000 2.286 9 I HA -0.151 4.018 4.170 -0.002 0.000 0.248 9 I C 1.899 178.009 176.117 -0.011 0.000 1.115 9 I CA 2.461 63.708 61.300 -0.089 0.000 1.392 9 I CB -0.624 37.477 38.000 0.167 0.000 1.065 9 I HN 0.602 nan 8.210 nan 0.000 0.418 10 E N 1.936 122.163 120.200 0.044 0.000 2.047 10 E HA -0.154 4.195 4.350 -0.002 0.000 0.191 10 E C 2.466 179.137 176.600 0.118 0.000 0.987 10 E CA 1.321 57.795 56.400 0.122 0.000 0.799 10 E CB -0.260 29.313 29.700 -0.211 0.000 0.752 10 E HN 0.688 nan 8.360 nan 0.000 0.449 11 A N 1.956 124.767 122.820 -0.016 0.000 1.933 11 A HA -0.232 4.087 4.320 -0.002 0.000 0.218 11 A C 2.087 179.623 177.584 -0.080 0.000 1.175 11 A CA 1.655 53.681 52.037 -0.018 0.000 0.628 11 A CB -0.409 18.557 19.000 -0.057 0.000 0.814 11 A HN 0.099 nan 8.150 nan 0.000 0.444 12 K N -1.182 119.087 120.400 -0.219 0.000 2.026 12 K HA -0.202 4.117 4.320 -0.002 0.000 0.208 12 K C 1.848 178.192 176.600 -0.426 0.000 1.048 12 K CA 1.807 57.849 56.287 -0.409 0.000 0.929 12 K CB -0.336 31.747 32.500 -0.695 0.000 0.713 12 K HN 0.682 nan 8.250 nan 0.000 0.439 13 W N 1.164 122.322 121.300 -0.236 0.000 2.436 13 W HA -0.039 4.620 4.660 -0.002 0.000 0.284 13 W C 2.404 178.450 176.519 -0.787 0.000 1.225 13 W CA 0.141 57.110 57.345 -0.627 0.000 1.271 13 W CB 0.050 28.988 29.460 -0.869 0.000 1.114 13 W HN 0.249 nan 8.180 nan 0.000 0.559 14 Q N 0.357 120.106 119.800 -0.085 0.000 2.096 14 Q HA -0.238 4.101 4.340 -0.002 0.000 0.204 14 Q C 2.275 178.411 176.000 0.226 0.000 0.982 14 Q CA 1.689 57.626 55.803 0.222 0.000 0.850 14 Q CB -0.330 28.600 28.738 0.319 0.000 0.901 14 Q HN 0.262 nan 8.270 nan 0.000 0.422 15 R N -0.281 120.294 120.500 0.124 0.000 2.090 15 R HA -0.141 4.198 4.340 -0.002 0.000 0.228 15 R C 2.079 178.486 176.300 0.179 0.000 1.110 15 R CA 1.002 57.178 56.100 0.127 0.000 0.973 15 R CB -0.223 30.112 30.300 0.059 0.000 0.869 15 R HN 0.246 nan 8.270 nan 0.000 0.440 16 F N 0.472 120.437 119.950 0.024 0.000 2.095 16 F HA -0.232 4.294 4.527 -0.001 0.000 0.298 16 F C 1.601 177.582 175.800 0.300 0.000 1.104 16 F CA 1.474 59.547 58.000 0.122 0.000 1.232 16 F CB -0.363 38.741 39.000 0.172 0.000 0.987 16 F HN 0.059 nan 8.300 nan 0.000 0.475 17 W N 0.739 122.243 121.300 0.339 0.000 2.358 17 W HA -0.142 4.517 4.660 -0.001 0.000 0.303 17 W C 2.512 179.071 176.519 0.066 0.000 1.208 17 W CA 1.442 58.953 57.345 0.276 0.000 1.274 17 W CB -1.460 28.281 29.460 0.468 0.000 1.138 17 W HN 0.169 nan 8.180 nan 0.000 0.515 18 E N 0.921 121.317 120.200 0.327 0.000 2.031 18 E HA -0.206 4.143 4.350 -0.002 0.000 0.193 18 E C 1.869 178.497 176.600 0.047 0.000 0.994 18 E CA 2.002 58.519 56.400 0.195 0.000 0.800 18 E CB -0.465 29.359 29.700 0.207 0.000 0.752 18 E HN 0.258 nan 8.360 nan 0.000 0.447 19 E N -0.135 120.072 120.200 0.011 0.000 2.118 19 E HA -0.175 4.174 4.350 -0.002 0.000 0.195 19 E C 1.878 178.372 176.600 -0.176 0.000 0.992 19 E CA 1.015 57.385 56.400 -0.050 0.000 0.804 19 E CB -0.026 29.667 29.700 -0.012 0.000 0.741 19 E HN 0.093 nan 8.360 nan 0.000 0.458 20 K N -0.339 119.844 120.400 -0.363 0.000 2.365 20 K HA -0.015 4.304 4.320 -0.002 0.000 0.199 20 K C 1.241 177.444 176.600 -0.661 0.000 1.045 20 K CA 0.790 56.661 56.287 -0.693 0.000 0.962 20 K CB 0.023 31.668 32.500 -1.425 0.000 0.759 20 K HN 0.286 nan 8.250 nan 0.000 0.469 21 G N 1.880 110.453 108.800 -0.378 0.000 2.283 21 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.280 21 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.280 21 G C 0.567 175.298 174.900 -0.281 0.000 1.029 21 G CA 0.260 45.220 45.100 -0.233 0.000 0.840 21 G HN 0.180 nan 8.290 nan 0.000 0.505 22 F N -0.719 119.071 119.950 -0.267 0.000 2.202 22 F HA 0.049 4.575 4.527 -0.002 0.000 0.301 22 F C 2.565 178.071 175.800 -0.489 0.000 1.082 22 F CA 1.501 59.198 58.000 -0.505 0.000 1.313 22 F CB -0.101 38.240 39.000 -1.098 0.000 1.024 22 F HN 0.276 nan 8.300 nan 0.000 0.495 23 M N 0.342 119.824 119.600 -0.196 0.000 2.551 23 M HA 0.086 4.565 4.480 -0.002 0.000 0.252 23 M C 0.291 176.536 176.300 -0.091 0.000 1.219 23 M CA 0.064 55.277 55.300 -0.145 0.000 0.978 23 M CB -0.936 31.597 32.600 -0.113 0.000 1.533 23 M HN -0.077 nan 8.290 nan 0.000 0.474 24 K N 1.372 121.727 120.400 -0.074 0.000 2.322 24 K HA 0.469 4.788 4.320 -0.002 0.000 0.283 24 K C -0.440 176.138 176.600 -0.037 0.000 1.042 24 K CA -0.098 56.157 56.287 -0.053 0.000 0.958 24 K CB 0.998 33.477 32.500 -0.036 0.000 0.984 24 K HN 0.216 nan 8.250 nan 0.000 0.473 25 A N 4.631 127.414 122.820 -0.062 0.000 2.301 25 A HA 0.288 4.607 4.320 -0.002 0.000 0.312 25 A C -0.616 177.045 177.584 0.128 0.000 1.182 25 A CA -0.691 51.342 52.037 -0.005 0.000 0.826 25 A CB 0.501 19.323 19.000 -0.295 0.000 1.134 25 A HN 0.805 nan 8.150 nan 0.000 0.501 26 K N 1.222 121.787 120.400 0.274 0.000 2.319 26 K HA 0.054 4.373 4.320 -0.002 0.000 0.265 26 K C -0.157 176.631 176.600 0.313 0.000 1.000 26 K CA -0.351 56.067 56.287 0.218 0.000 0.943 26 K CB 0.581 33.164 32.500 0.139 0.000 0.950 26 K HN 0.659 nan 8.250 nan 0.000 0.485 27 D N 1.045 121.555 120.400 0.184 0.000 2.144 27 D HA -0.078 4.561 4.640 -0.002 0.000 0.199 27 D C 0.177 176.572 176.300 0.158 0.000 0.984 27 D CA 1.371 55.485 54.000 0.189 0.000 0.834 27 D CB 0.145 41.006 40.800 0.102 0.000 0.955 27 D HN 0.277 nan 8.370 nan 0.000 0.465 28 L N 0.915 122.150 121.223 0.021 0.000 2.457 28 L HA 0.343 4.682 4.340 -0.002 0.000 0.266 28 L C -2.497 174.228 176.870 -0.241 0.000 0.979 28 L CA -1.790 52.964 54.840 -0.144 0.000 0.857 28 L CB 2.445 44.451 42.059 -0.087 0.000 1.213 28 L HN -0.291 nan 8.230 nan 0.000 0.418 29 P HA 0.204 nan 4.420 nan 0.000 0.268 29 P C -0.103 177.030 177.300 -0.279 0.000 1.205 29 P CA -0.095 62.720 63.100 -0.474 0.000 0.771 29 P CB 0.851 32.022 31.700 -0.883 0.000 0.858 30 G N 1.329 110.023 108.800 -0.177 0.000 2.626 30 G HA2 0.551 4.510 3.960 -0.002 0.000 0.304 30 G HA3 0.551 4.510 3.960 -0.002 0.000 0.304 30 G C 0.080 174.922 174.900 -0.097 0.000 1.385 30 G CA -0.081 44.946 45.100 -0.122 0.000 0.957 30 G HN 0.780 nan 8.290 nan 0.000 0.504 34 K N -0.790 119.713 120.400 0.171 0.000 2.444 34 K HA 0.870 5.189 4.320 -0.002 0.000 0.252 34 K C -1.093 175.580 176.600 0.122 0.000 0.993 34 K CA -0.860 55.505 56.287 0.130 0.000 0.847 34 K CB 2.169 34.570 32.500 -0.165 0.000 1.340 34 K HN 0.386 nan 8.250 nan 0.000 0.446 35 Q N 1.222 121.144 119.800 0.204 0.000 2.263 35 Q HA 0.242 4.581 4.340 -0.002 0.000 0.266 35 Q C -1.760 174.408 176.000 0.279 0.000 1.002 35 Q CA -0.579 55.273 55.803 0.081 0.000 0.790 35 Q CB 1.772 30.399 28.738 -0.186 0.000 1.272 35 Q HN 0.740 nan 8.270 nan 0.000 0.435 36 Y N 3.015 123.381 120.300 0.111 0.000 2.491 36 Y HA 0.389 4.938 4.550 -0.002 0.000 0.334 36 Y C -0.978 174.930 175.900 0.013 0.000 0.969 36 Y CA -1.254 56.880 58.100 0.056 0.000 1.241 36 Y CB 0.752 39.284 38.460 0.119 0.000 1.105 36 Y HN 0.271 nan 8.280 nan 0.000 0.503 37 V N 8.409 128.517 119.914 0.324 0.000 2.333 37 V HA 0.296 4.415 4.120 -0.002 0.000 0.274 37 V C -0.541 175.711 176.094 0.264 0.000 1.028 37 V CA -0.674 61.742 62.300 0.194 0.000 0.851 37 V CB 1.086 32.961 31.823 0.086 0.000 1.000 37 V HN 0.580 nan 8.190 nan 0.000 0.456 38 L N 6.917 128.213 121.223 0.122 0.000 2.346 38 L HA 0.786 5.126 4.340 -0.002 0.000 0.276 38 L C -0.523 176.477 176.870 0.216 0.000 1.006 38 L CA -0.047 54.868 54.840 0.126 0.000 0.817 38 L CB 2.060 44.043 42.059 -0.126 0.000 1.272 38 L HN 0.398 nan 8.230 nan 0.000 0.421 39 V N 5.036 125.080 119.914 0.216 0.000 2.628 39 V HA 0.422 4.541 4.120 -0.002 0.000 0.306 39 V C 0.390 176.631 176.094 0.244 0.000 1.045 39 V CA -0.782 61.619 62.300 0.170 0.000 0.905 39 V CB 1.790 33.791 31.823 0.297 0.000 0.997 39 V HN 0.804 nan 8.190 nan 0.000 0.436 40 M N 5.742 125.386 119.600 0.075 0.000 2.327 40 M HA 0.150 4.629 4.480 -0.002 0.000 0.353 40 M C -0.190 176.304 176.300 0.323 0.000 1.539 40 M CA 0.169 55.590 55.300 0.201 0.000 1.039 40 M CB -0.159 32.388 32.600 -0.087 0.000 1.967 40 M HN 0.669 nan 8.290 nan 0.000 0.459 41 F N 5.114 125.057 119.950 -0.012 0.000 2.518 41 F HA 0.592 5.118 4.527 -0.002 0.000 0.359 41 F C -2.537 173.085 175.800 -0.297 0.000 1.118 41 F CA -3.316 54.547 58.000 -0.228 0.000 1.287 41 F CB -1.188 37.586 39.000 -0.376 0.000 1.132 41 F HN 0.332 nan 8.300 nan 0.000 0.587 42 P HA 0.243 nan 4.420 nan 0.000 0.281 42 P C -1.579 175.490 177.300 -0.385 0.000 1.264 42 P CA -0.347 62.582 63.100 -0.286 0.000 0.824 42 P CB 0.833 32.508 31.700 -0.041 0.000 1.092 43 Y N 0.128 120.333 120.300 -0.160 0.000 2.335 43 Y HA 0.242 4.791 4.550 -0.002 0.000 0.331 43 Y C -1.541 174.310 175.900 -0.081 0.000 1.094 43 Y CA -2.210 55.806 58.100 -0.140 0.000 1.253 43 Y CB -0.584 37.830 38.460 -0.076 0.000 1.203 43 Y HN 0.197 nan 8.280 nan 0.000 0.508 44 P HA 0.104 nan 4.420 nan 0.000 0.263 44 P C -0.143 177.001 177.300 -0.259 0.000 1.601 44 P CA 0.389 63.400 63.100 -0.148 0.000 1.161 44 P CB 0.318 31.853 31.700 -0.275 0.000 1.730 45 S N 1.388 116.967 115.700 -0.201 0.000 2.663 45 S HA 0.527 4.996 4.470 -0.002 0.000 0.243 45 S C 0.813 175.251 174.600 -0.270 0.000 1.009 45 S CA 0.165 58.245 58.200 -0.200 0.000 0.988 45 S CB 0.219 63.478 63.200 0.099 0.000 0.896 45 S HN 0.632 nan 8.310 nan 0.000 0.502 46 G N 1.732 110.313 108.800 -0.366 0.000 2.337 46 G HA2 -0.110 3.849 3.960 -0.002 0.000 0.197 46 G HA3 -0.110 3.849 3.960 -0.002 0.000 0.197 46 G C -1.562 173.218 174.900 -0.201 0.000 1.238 46 G CA -0.725 44.201 45.100 -0.291 0.000 1.119 46 G HN 0.253 nan 8.290 nan 0.000 0.514 47 D N 0.533 120.860 120.400 -0.122 0.000 2.382 47 D HA 0.435 5.074 4.640 -0.002 0.000 0.245 47 D C 0.565 176.827 176.300 -0.064 0.000 1.120 47 D CA 0.050 54.007 54.000 -0.072 0.000 0.890 47 D CB 0.673 41.461 40.800 -0.020 0.000 1.201 47 D HN 0.421 nan 8.370 nan 0.000 0.433 48 L N 2.820 124.005 121.223 -0.063 0.000 2.399 48 L HA 0.309 4.648 4.340 -0.002 0.000 0.265 48 L C 0.329 177.257 176.870 0.097 0.000 1.089 48 L CA -0.852 53.939 54.840 -0.083 0.000 0.802 48 L CB 1.078 43.087 42.059 -0.082 0.000 1.180 48 L HN 0.551 nan 8.230 nan 0.000 0.454 49 H N -1.093 118.189 119.070 0.354 0.000 2.771 49 H HA 0.426 4.981 4.556 -0.002 0.000 0.344 49 H C 0.410 175.735 175.328 -0.005 0.000 1.260 49 H CA -1.098 54.998 56.048 0.080 0.000 1.276 49 H CB 0.524 30.281 29.762 -0.008 0.000 1.881 49 H HN 0.335 nan 8.280 nan 0.000 0.615 50 M N 0.553 120.165 119.600 0.022 0.000 2.346 50 M HA -0.044 4.435 4.480 -0.002 0.000 0.263 50 M C 2.025 178.356 176.300 0.052 0.000 1.064 50 M CA 1.488 56.711 55.300 -0.128 0.000 1.083 50 M CB -1.494 30.692 32.600 -0.690 0.000 1.399 50 M HN 0.961 nan 8.290 nan 0.000 0.435 51 G N -0.690 108.280 108.800 0.284 0.000 2.404 51 G HA2 -0.215 3.745 3.960 -0.002 0.000 0.215 51 G HA3 -0.215 3.745 3.960 -0.002 0.000 0.215 51 G C 1.281 176.148 174.900 -0.055 0.000 1.174 51 G CA 0.860 46.025 45.100 0.108 0.000 0.780 51 G HN 0.490 nan 8.290 nan 0.000 0.537 52 H N -0.219 118.834 119.070 -0.028 0.000 2.326 52 H HA 0.092 4.647 4.556 -0.002 0.000 0.301 52 H C 2.492 177.731 175.328 -0.148 0.000 1.081 52 H CA 0.782 56.743 56.048 -0.144 0.000 1.334 52 H CB -0.101 29.625 29.762 -0.060 0.000 1.385 52 H HN 0.084 nan 8.280 nan 0.000 0.504 53 L N 1.324 122.652 121.223 0.175 0.000 2.261 53 L HA -0.180 4.159 4.340 -0.002 0.000 0.216 53 L C 2.258 179.172 176.870 0.073 0.000 1.114 53 L CA 1.483 56.441 54.840 0.197 0.000 0.777 53 L CB -0.767 41.407 42.059 0.192 0.000 0.910 53 L HN 0.360 nan 8.230 nan 0.000 0.440 54 K N 0.460 120.857 120.400 -0.005 0.000 2.057 54 K HA -0.208 4.111 4.320 -0.002 0.000 0.207 54 K C 1.687 178.206 176.600 -0.134 0.000 1.049 54 K CA 1.944 58.215 56.287 -0.026 0.000 0.931 54 K CB 0.102 32.578 32.500 -0.040 0.000 0.714 54 K HN 0.357 nan 8.250 nan 0.000 0.440 55 N N -0.468 118.049 118.700 -0.305 0.000 2.106 55 N HA -0.135 4.604 4.740 -0.002 0.000 0.188 55 N C 1.569 176.896 175.510 -0.306 0.000 1.029 55 N CA 1.618 54.406 53.050 -0.436 0.000 0.848 55 N CB -0.229 37.865 38.487 -0.655 0.000 1.007 55 N HN 0.264 nan 8.380 nan 0.000 0.423 56 Y N 0.412 120.740 120.300 0.047 0.000 2.293 56 Y HA -0.086 4.463 4.550 -0.002 0.000 0.291 56 Y C 2.380 178.338 175.900 0.097 0.000 1.137 56 Y CA 0.646 58.817 58.100 0.118 0.000 1.202 56 Y CB -0.314 38.248 38.460 0.171 0.000 0.990 56 Y HN 0.068 nan 8.280 nan 0.000 0.537 57 T N 0.092 114.750 114.554 0.174 0.000 2.812 57 T HA -0.148 4.201 4.350 -0.002 0.000 0.264 57 T C 1.951 176.708 174.700 0.094 0.000 1.042 57 T CA 1.091 63.267 62.100 0.128 0.000 1.140 57 T CB -0.174 68.778 68.868 0.139 0.000 0.870 57 T HN 0.192 nan 8.240 nan 0.000 0.445 58 M N 1.186 120.828 119.600 0.070 0.000 2.080 58 M HA -0.042 4.437 4.480 -0.002 0.000 0.260 58 M C 2.776 179.171 176.300 0.158 0.000 1.068 58 M CA 1.677 57.048 55.300 0.118 0.000 1.109 58 M CB -1.671 30.768 32.600 -0.268 0.000 1.342 58 M HN 0.405 nan 8.290 nan 0.000 0.405 59 G N -0.312 108.544 108.800 0.093 0.000 2.418 59 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.217 59 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.217 59 G C 1.215 176.011 174.900 -0.174 0.000 1.158 59 G CA 1.380 46.553 45.100 0.123 0.000 0.771 59 G HN 0.473 nan 8.290 nan 0.000 0.545 60 D N -0.324 120.012 120.400 -0.106 0.000 2.117 60 D HA -0.096 4.543 4.640 -0.002 0.000 0.197 60 D C 2.628 178.721 176.300 -0.344 0.000 0.987 60 D CA 0.892 54.721 54.000 -0.285 0.000 0.829 60 D CB -0.029 40.682 40.800 -0.149 0.000 0.961 60 D HN 0.138 nan 8.370 nan 0.000 0.460 61 V N 0.590 120.342 119.914 -0.270 0.000 2.295 61 V HA -0.218 3.901 4.120 -0.002 0.000 0.246 61 V C 2.595 178.441 176.094 -0.414 0.000 1.049 61 V CA 1.294 63.312 62.300 -0.471 0.000 1.024 61 V CB -0.530 30.933 31.823 -0.600 0.000 0.648 61 V HN 0.373 nan 8.190 nan 0.000 0.447 62 L N -0.342 120.793 121.223 -0.148 0.000 2.017 62 L HA -0.194 4.145 4.340 -0.002 0.000 0.208 62 L C 2.663 179.462 176.870 -0.117 0.000 1.073 62 L CA 1.890 56.737 54.840 0.011 0.000 0.745 62 L CB -0.642 41.545 42.059 0.212 0.000 0.894 62 L HN 0.403 nan 8.230 nan 0.000 0.432 63 A N 0.031 122.682 122.820 -0.281 0.000 1.865 63 A HA -0.265 4.054 4.320 -0.002 0.000 0.217 63 A C 2.259 179.718 177.584 -0.209 0.000 1.191 63 A CA 1.825 53.666 52.037 -0.327 0.000 0.623 63 A CB -0.586 18.004 19.000 -0.683 0.000 0.826 63 A HN 0.394 nan 8.150 nan 0.000 0.444 64 R N -1.927 118.420 120.500 -0.255 0.000 2.083 64 R HA -0.146 4.193 4.340 -0.002 0.000 0.237 64 R C 2.053 178.252 176.300 -0.170 0.000 1.137 64 R CA 1.651 57.622 56.100 -0.215 0.000 0.951 64 R CB -0.590 29.388 30.300 -0.538 0.000 0.851 64 R HN 0.615 nan 8.270 nan 0.000 0.434 65 F N 1.986 121.692 119.950 -0.407 0.000 2.069 65 F HA -0.185 4.341 4.527 -0.002 0.000 0.298 65 F C 2.162 177.743 175.800 -0.364 0.000 1.113 65 F CA 1.505 59.205 58.000 -0.501 0.000 1.214 65 F CB -0.094 38.523 39.000 -0.639 0.000 0.978 65 F HN -0.204 nan 8.300 nan 0.000 0.474 66 R N 0.425 120.614 120.500 -0.519 0.000 2.096 66 R HA -0.129 4.210 4.340 -0.002 0.000 0.235 66 R C 2.304 178.502 176.300 -0.170 0.000 1.127 66 R CA 1.270 57.090 56.100 -0.466 0.000 0.968 66 R CB -1.024 29.089 30.300 -0.313 0.000 0.861 66 R HN 0.239 nan 8.270 nan 0.000 0.440 67 R N 0.851 121.298 120.500 -0.088 0.000 2.073 67 R HA 0.044 4.383 4.340 -0.002 0.000 0.234 67 R C 2.239 178.556 176.300 0.029 0.000 1.134 67 R CA 1.560 57.688 56.100 0.046 0.000 0.952 67 R CB -0.467 29.949 30.300 0.193 0.000 0.850 67 R HN 0.165 nan 8.270 nan 0.000 0.433 68 M N -0.037 119.546 119.600 -0.028 0.000 2.213 68 M HA -0.175 4.304 4.480 -0.002 0.000 0.263 68 M C 2.036 178.304 176.300 -0.053 0.000 1.062 68 M CA 1.658 56.948 55.300 -0.017 0.000 1.105 68 M CB -0.174 32.465 32.600 0.065 0.000 1.385 68 M HN 0.206 nan 8.290 nan 0.000 0.417 69 Q N -0.428 119.247 119.800 -0.209 0.000 2.436 69 Q HA -0.019 4.320 4.340 -0.002 0.000 0.209 69 Q C 1.316 177.185 176.000 -0.219 0.000 0.965 69 Q CA 0.908 56.572 55.803 -0.232 0.000 0.910 69 Q CB 0.172 28.671 28.738 -0.398 0.000 0.980 69 Q HN 0.780 nan 8.270 nan 0.000 0.491 70 G N -0.797 107.912 108.800 -0.151 0.000 2.184 70 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.206 70 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.206 70 G C -0.335 174.463 174.900 -0.171 0.000 0.995 70 G CA -0.508 44.496 45.100 -0.160 0.000 0.651 70 G HN 0.221 nan 8.290 nan 0.000 0.511 71 Y N 1.464 121.702 120.300 -0.102 0.000 2.357 71 Y HA 0.493 5.042 4.550 -0.002 0.000 0.340 71 Y C 0.917 176.809 175.900 -0.013 0.000 1.260 71 Y CA -0.201 57.857 58.100 -0.070 0.000 1.425 71 Y CB 0.563 38.965 38.460 -0.096 0.000 1.326 71 Y HN 0.011 nan 8.280 nan 0.000 0.580 72 E N 1.805 122.132 120.200 0.211 0.000 2.194 72 E HA 0.283 4.633 4.350 -0.002 0.000 0.284 72 E C -1.045 175.773 176.600 0.363 0.000 1.035 72 E CA -0.283 56.248 56.400 0.218 0.000 0.836 72 E CB 1.278 31.053 29.700 0.126 0.000 1.070 72 E HN 0.271 nan 8.360 nan 0.000 0.401 73 V N 4.140 124.213 119.914 0.265 0.000 2.459 73 V HA 0.286 4.405 4.120 -0.002 0.000 0.295 73 V C -0.335 175.713 176.094 -0.078 0.000 1.029 73 V CA -0.969 61.420 62.300 0.149 0.000 0.874 73 V CB 1.721 33.564 31.823 0.033 0.000 0.985 73 V HN 0.433 nan 8.190 nan 0.000 0.438 74 L N 4.774 125.797 121.223 -0.332 0.000 2.294 74 L HA 0.539 4.878 4.340 -0.002 0.000 0.283 74 L C -0.526 176.176 176.870 -0.279 0.000 1.015 74 L CA 0.156 54.547 54.840 -0.747 0.000 0.831 74 L CB 0.729 41.720 42.059 -1.781 0.000 1.217 74 L HN 0.806 nan 8.230 nan 0.000 0.420 75 H N 6.690 125.560 119.070 -0.334 0.000 2.917 75 H HA 0.487 5.042 4.556 -0.002 0.000 0.279 75 H C -2.964 172.227 175.328 -0.228 0.000 1.211 75 H CA -1.775 54.169 56.048 -0.172 0.000 1.534 75 H CB 1.790 31.471 29.762 -0.135 0.000 1.581 75 H HN 0.485 nan 8.280 nan 0.000 0.510 76 P HA 0.285 nan 4.420 nan 0.000 0.289 76 P C -0.908 175.662 177.300 -1.217 0.000 1.293 76 P CA -0.972 61.536 63.100 -0.986 0.000 0.897 76 P CB 2.728 33.535 31.700 -1.488 0.000 1.166 77 M N 1.128 119.878 119.600 -1.417 0.000 2.518 77 M HA 0.786 5.265 4.480 -0.002 0.000 0.300 77 M C -0.724 175.054 176.300 -0.869 0.000 1.175 77 M CA -0.398 54.040 55.300 -1.436 0.000 0.890 77 M CB 1.756 32.919 32.600 -2.396 0.000 1.710 77 M HN 0.661 nan 8.290 nan 0.000 0.453 78 G N 1.549 109.889 108.800 -0.766 0.000 2.682 78 G HA2 0.686 4.645 3.960 -0.002 0.000 0.303 78 G HA3 0.686 4.645 3.960 -0.002 0.000 0.303 78 G C -2.554 171.712 174.900 -1.056 0.000 1.341 78 G CA -0.714 43.984 45.100 -0.669 0.000 0.784 78 G HN 0.705 nan 8.290 nan 0.000 0.497 79 W N -0.040 121.285 121.300 0.041 0.000 2.781 79 W HA 0.482 5.141 4.660 -0.002 0.000 0.333 79 W C -0.882 175.321 176.519 -0.525 0.000 1.047 79 W CA -0.813 56.387 57.345 -0.241 0.000 1.236 79 W CB 2.093 31.425 29.460 -0.213 0.000 1.394 79 W HN 0.361 nan 8.180 nan 0.000 0.466 80 D N 2.453 122.358 120.400 -0.825 0.000 2.608 80 D HA 0.232 4.871 4.640 -0.002 0.000 0.224 80 D C 1.185 177.343 176.300 -0.238 0.000 1.123 80 D CA 0.250 53.704 54.000 -0.910 0.000 1.030 80 D CB 0.668 40.690 40.800 -1.297 0.000 1.093 80 D HN 0.498 nan 8.370 nan 0.000 0.497 81 A N 3.167 125.878 122.820 -0.180 0.000 1.968 81 A HA -0.040 4.279 4.320 -0.002 0.000 0.217 81 A C 0.929 178.527 177.584 0.023 0.000 1.169 81 A CA 0.463 52.448 52.037 -0.087 0.000 0.638 81 A CB -0.162 18.705 19.000 -0.222 0.000 0.812 81 A HN 0.347 nan 8.150 nan 0.000 0.446 82 F N -0.727 119.138 119.950 -0.142 0.000 2.390 82 F HA 0.497 5.023 4.527 -0.001 0.000 0.307 82 F C 1.220 177.028 175.800 0.013 0.000 1.227 82 F CA 0.186 58.018 58.000 -0.280 0.000 1.179 82 F CB 0.177 38.950 39.000 -0.378 0.000 1.280 82 F HN 0.500 nan 8.300 nan 0.000 0.548 83 G N -0.072 108.928 108.800 0.333 0.000 2.371 83 G HA2 -0.083 3.876 3.960 -0.002 0.000 0.663 83 G HA3 -0.083 3.876 3.960 -0.002 0.000 0.663 83 G C -0.058 174.968 174.900 0.211 0.000 1.311 83 G CA -0.544 44.661 45.100 0.174 0.000 0.985 83 G HN 0.610 nan 8.290 nan 0.000 0.566 84 L N 0.579 121.837 121.223 0.058 0.000 2.056 84 L HA 0.011 4.350 4.340 -0.002 0.000 0.207 84 L C 0.066 176.932 176.870 -0.008 0.000 1.078 84 L CA 1.844 56.700 54.840 0.027 0.000 0.749 84 L CB -1.158 40.891 42.059 -0.018 0.000 0.901 84 L HN 0.418 nan 8.230 nan 0.000 0.433 85 P HA -0.289 nan 4.420 nan 0.000 0.217 85 P C 1.485 178.702 177.300 -0.138 0.000 1.162 85 P CA 2.230 65.317 63.100 -0.022 0.000 0.901 85 P CB -0.024 31.721 31.700 0.075 0.000 0.793 86 A N -0.789 122.049 122.820 0.031 0.000 1.972 86 A HA -0.232 4.087 4.320 -0.002 0.000 0.219 86 A C 2.161 179.527 177.584 -0.363 0.000 1.169 86 A CA 1.676 53.627 52.037 -0.144 0.000 0.635 86 A CB -1.078 17.897 19.000 -0.041 0.000 0.810 86 A HN 0.208 nan 8.150 nan 0.000 0.446 87 E N -0.337 119.743 120.200 -0.200 0.000 2.072 87 E HA -0.148 4.201 4.350 -0.002 0.000 0.190 87 E C 1.752 178.231 176.600 -0.201 0.000 0.982 87 E CA 1.128 57.428 56.400 -0.166 0.000 0.803 87 E CB -0.137 29.550 29.700 -0.022 0.000 0.755 87 E HN 0.662 nan 8.360 nan 0.000 0.453 88 N N 0.752 119.331 118.700 -0.202 0.000 2.244 88 N HA -0.127 4.612 4.740 -0.002 0.000 0.183 88 N C 1.559 176.909 175.510 -0.267 0.000 1.016 88 N CA 1.186 54.120 53.050 -0.194 0.000 0.866 88 N CB -0.170 38.226 38.487 -0.152 0.000 0.980 88 N HN 0.116 nan 8.380 nan 0.000 0.430 89 A N 0.779 123.319 122.820 -0.466 0.000 1.902 89 A HA 0.035 4.354 4.320 -0.002 0.000 0.217 89 A C 2.299 179.706 177.584 -0.295 0.000 1.181 89 A CA 1.750 53.444 52.037 -0.570 0.000 0.623 89 A CB -1.070 16.862 19.000 -1.780 0.000 0.818 89 A HN 0.303 nan 8.150 nan 0.000 0.443 90 A N -0.587 122.031 122.820 -0.337 0.000 1.908 90 A HA -0.058 4.261 4.320 -0.002 0.000 0.218 90 A C 1.923 179.419 177.584 -0.147 0.000 1.181 90 A CA 1.783 53.694 52.037 -0.209 0.000 0.627 90 A CB -0.564 18.291 19.000 -0.241 0.000 0.818 90 A HN 0.411 nan 8.150 nan 0.000 0.445 91 L N -0.551 120.574 121.223 -0.162 0.000 2.376 91 L HA -0.022 4.317 4.340 -0.002 0.000 0.219 91 L C 2.246 179.021 176.870 -0.159 0.000 1.133 91 L CA 1.930 56.686 54.840 -0.140 0.000 0.816 91 L CB -0.423 41.559 42.059 -0.129 0.000 0.933 91 L HN 0.514 nan 8.230 nan 0.000 0.449 92 K N -0.912 119.369 120.400 -0.198 0.000 2.108 92 K HA 0.005 4.324 4.320 -0.002 0.000 0.204 92 K C 1.656 178.008 176.600 -0.413 0.000 1.036 92 K CA 0.832 56.909 56.287 -0.350 0.000 0.965 92 K CB -0.039 32.157 32.500 -0.507 0.000 0.804 92 K HN 0.132 nan 8.250 nan 0.000 0.454 93 F N 0.718 120.578 119.950 -0.151 0.000 2.765 93 F HA 0.293 4.819 4.527 -0.002 0.000 0.302 93 F C 1.074 176.825 175.800 -0.081 0.000 1.111 93 F CA 0.457 58.400 58.000 -0.096 0.000 1.359 93 F CB 0.478 39.432 39.000 -0.077 0.000 1.097 93 F HN 0.335 nan 8.300 nan 0.000 0.577 94 G N 1.533 110.355 108.800 0.036 0.000 2.295 94 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.287 94 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.287 94 G C -0.335 174.579 174.900 0.024 0.000 1.055 94 G CA 0.234 45.333 45.100 -0.001 0.000 0.922 94 G HN 0.218 nan 8.290 nan 0.000 0.503 95 V N 0.335 120.266 119.914 0.029 0.000 2.864 95 V HA 0.494 4.613 4.120 -0.002 0.000 0.314 95 V C 0.699 176.805 176.094 0.020 0.000 1.073 95 V CA -1.563 60.766 62.300 0.048 0.000 0.956 95 V CB 1.908 33.781 31.823 0.083 0.000 1.023 95 V HN 0.493 nan 8.190 nan 0.000 0.435 96 H N 6.460 125.509 119.070 -0.035 0.000 2.928 96 H HA 0.090 4.645 4.556 -0.002 0.000 0.338 96 H C -1.563 173.692 175.328 -0.121 0.000 1.047 96 H CA -1.240 54.766 56.048 -0.070 0.000 1.435 96 H CB 1.849 31.600 29.762 -0.018 0.000 1.428 96 H HN 0.365 nan 8.280 nan 0.000 0.590 97 P HA -0.188 nan 4.420 nan 0.000 0.218 97 P C 1.373 178.554 177.300 -0.198 0.000 1.148 97 P CA 1.445 64.318 63.100 -0.379 0.000 0.822 97 P CB 0.335 31.373 31.700 -1.104 0.000 0.784 98 K N 0.273 120.734 120.400 0.103 0.000 2.057 98 K HA -0.154 4.165 4.320 -0.002 0.000 0.207 98 K C 1.613 178.339 176.600 0.209 0.000 1.049 98 K CA 1.702 58.108 56.287 0.199 0.000 0.931 98 K CB -0.406 32.160 32.500 0.110 0.000 0.714 98 K HN -0.037 nan 8.250 nan 0.000 0.440 99 D N -0.097 120.388 120.400 0.142 0.000 2.117 99 D HA -0.170 4.469 4.640 -0.002 0.000 0.198 99 D C 1.608 177.976 176.300 0.113 0.000 0.982 99 D CA 0.893 54.968 54.000 0.125 0.000 0.828 99 D CB -0.403 40.445 40.800 0.079 0.000 0.967 99 D HN 0.396 nan 8.370 nan 0.000 0.464 100 W N 2.048 123.302 121.300 -0.076 0.000 2.363 100 W HA -0.177 4.482 4.660 -0.001 0.000 0.296 100 W C 2.203 178.633 176.519 -0.149 0.000 1.212 100 W CA 1.815 59.075 57.345 -0.141 0.000 1.260 100 W CB -0.403 28.955 29.460 -0.171 0.000 1.131 100 W HN -0.158 nan 8.180 nan 0.000 0.530 101 T N -0.353 114.177 114.554 -0.041 0.000 2.737 101 T HA -0.247 4.102 4.350 -0.002 0.000 0.265 101 T C 1.418 175.863 174.700 -0.425 0.000 1.038 101 T CA 1.838 63.779 62.100 -0.264 0.000 1.144 101 T CB -0.762 68.041 68.868 -0.108 0.000 0.866 101 T HN 0.077 nan 8.240 nan 0.000 0.434 102 Y N 1.327 121.507 120.300 -0.201 0.000 2.352 102 Y HA 0.092 4.641 4.550 -0.002 0.000 0.292 102 Y C 2.540 178.251 175.900 -0.315 0.000 1.136 102 Y CA 0.346 58.295 58.100 -0.251 0.000 1.227 102 Y CB -0.651 37.715 38.460 -0.157 0.000 0.991 102 Y HN 0.207 nan 8.280 nan 0.000 0.545 103 A N 0.145 122.852 122.820 -0.187 0.000 1.872 103 A HA -0.154 4.165 4.320 -0.002 0.000 0.214 103 A C 2.090 179.445 177.584 -0.381 0.000 1.187 103 A CA 1.592 53.478 52.037 -0.252 0.000 0.614 103 A CB -0.573 18.278 19.000 -0.248 0.000 0.826 103 A HN 0.356 nan 8.150 nan 0.000 0.442 104 N N 0.245 118.611 118.700 -0.558 0.000 2.223 104 N HA -0.080 4.659 4.740 -0.002 0.000 0.185 104 N C 1.574 176.734 175.510 -0.584 0.000 1.016 104 N CA 1.251 53.934 53.050 -0.611 0.000 0.863 104 N CB -0.425 37.560 38.487 -0.836 0.000 0.983 104 N HN 0.567 nan 8.380 nan 0.000 0.429 105 I N 0.624 120.785 120.570 -0.682 0.000 2.252 105 I HA -0.221 3.948 4.170 -0.002 0.000 0.245 105 I C 2.583 178.287 176.117 -0.688 0.000 1.102 105 I CA 0.775 61.468 61.300 -1.012 0.000 1.385 105 I CB -0.127 37.225 38.000 -1.080 0.000 1.064 105 I HN 0.107 nan 8.210 nan 0.000 0.414 106 R N 0.841 121.085 120.500 -0.426 0.000 2.081 106 R HA -0.204 4.135 4.340 -0.002 0.000 0.235 106 R C 2.290 178.446 176.300 -0.239 0.000 1.131 106 R CA 1.582 57.511 56.100 -0.285 0.000 0.960 106 R CB -0.072 30.104 30.300 -0.207 0.000 0.856 106 R HN 0.429 nan 8.270 nan 0.000 0.436 107 Q N -0.344 119.307 119.800 -0.248 0.000 2.016 107 Q HA -0.110 4.229 4.340 -0.002 0.000 0.200 107 Q C 2.220 178.137 176.000 -0.139 0.000 0.978 107 Q CA 1.559 57.256 55.803 -0.177 0.000 0.833 107 Q CB -0.163 28.462 28.738 -0.188 0.000 0.895 107 Q HN 0.429 nan 8.270 nan 0.000 0.427 108 A N 1.507 124.211 122.820 -0.194 0.000 1.940 108 A HA -0.245 4.074 4.320 -0.002 0.000 0.219 108 A C 2.017 179.644 177.584 0.072 0.000 1.176 108 A CA 1.725 53.720 52.037 -0.070 0.000 0.631 108 A CB -0.427 18.525 19.000 -0.079 0.000 0.814 108 A HN 0.202 nan 8.150 nan 0.000 0.446 109 K N -0.749 119.656 120.400 0.008 0.000 2.057 109 K HA -0.212 4.107 4.320 -0.002 0.000 0.207 109 K C 2.097 178.717 176.600 0.032 0.000 1.049 109 K CA 1.684 58.011 56.287 0.065 0.000 0.931 109 K CB -0.093 32.304 32.500 -0.172 0.000 0.714 109 K HN 0.422 nan 8.250 nan 0.000 0.440 110 E N 0.219 120.407 120.200 -0.020 0.000 2.072 110 E HA -0.102 4.247 4.350 -0.002 0.000 0.191 110 E C 1.794 178.439 176.600 0.075 0.000 0.985 110 E CA 1.543 57.949 56.400 0.010 0.000 0.801 110 E CB -0.156 29.531 29.700 -0.021 0.000 0.750 110 E HN 0.137 nan 8.360 nan 0.000 0.452 111 S N -0.137 115.609 115.700 0.076 0.000 2.368 111 S HA -0.110 4.359 4.470 -0.002 0.000 0.225 111 S C 1.867 176.571 174.600 0.173 0.000 1.030 111 S CA 1.163 59.431 58.200 0.113 0.000 0.999 111 S CB -0.291 62.962 63.200 0.089 0.000 0.844 111 S HN 0.254 nan 8.310 nan 0.000 0.459 112 L N 0.887 122.235 121.223 0.207 0.000 2.017 112 L HA -0.080 4.259 4.340 -0.002 0.000 0.208 112 L C 2.700 179.752 176.870 0.303 0.000 1.073 112 L CA 1.357 56.369 54.840 0.286 0.000 0.745 112 L CB -0.457 41.840 42.059 0.396 0.000 0.894 112 L HN 0.243 nan 8.230 nan 0.000 0.432 113 R N 0.703 121.372 120.500 0.281 0.000 2.081 113 R HA -0.163 4.176 4.340 -0.002 0.000 0.235 113 R C 2.250 178.713 176.300 0.271 0.000 1.131 113 R CA 1.382 57.648 56.100 0.277 0.000 0.960 113 R CB -0.243 30.167 30.300 0.183 0.000 0.856 113 R HN 0.323 nan 8.270 nan 0.000 0.436 114 L N 0.172 121.525 121.223 0.216 0.000 2.362 114 L HA -0.082 4.257 4.340 -0.002 0.000 0.219 114 L C 1.973 178.986 176.870 0.239 0.000 1.134 114 L CA 0.500 55.461 54.840 0.201 0.000 0.807 114 L CB -0.110 42.039 42.059 0.150 0.000 0.927 114 L HN 0.276 nan 8.230 nan 0.000 0.447 115 M N -0.666 119.095 119.600 0.269 0.000 2.495 115 M HA 0.171 4.650 4.480 -0.002 0.000 0.237 115 M C 1.431 177.958 176.300 0.379 0.000 1.131 115 M CA 0.624 56.098 55.300 0.289 0.000 1.032 115 M CB -0.424 32.330 32.600 0.257 0.000 1.513 115 M HN 0.367 nan 8.290 nan 0.000 0.488 116 G N 1.397 110.470 108.800 0.455 0.000 2.143 116 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.248 116 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.248 116 G C 0.171 175.206 174.900 0.224 0.000 0.991 116 G CA -0.267 45.143 45.100 0.516 0.000 0.689 116 G HN 0.388 nan 8.290 nan 0.000 0.522 117 I N 0.690 121.374 120.570 0.189 0.000 2.496 117 I HA 0.344 4.513 4.170 -0.002 0.000 0.285 117 I C 0.870 176.975 176.117 -0.021 0.000 1.080 117 I CA -0.210 61.097 61.300 0.011 0.000 1.404 117 I CB 0.862 38.872 38.000 0.017 0.000 1.403 117 I HN 0.020 nan 8.210 nan 0.000 0.539 118 L N 7.478 128.592 121.223 -0.182 0.000 2.319 118 L HA 0.427 4.766 4.340 -0.002 0.000 0.281 118 L C -0.799 175.898 176.870 -0.288 0.000 1.005 118 L CA -0.536 54.254 54.840 -0.083 0.000 0.828 118 L CB 1.154 43.213 42.059 -0.000 0.000 1.227 118 L HN 0.398 nan 8.230 nan 0.000 0.415 119 Y N 0.332 120.540 120.300 -0.153 0.000 2.650 119 Y HA 0.320 4.869 4.550 -0.001 0.000 0.331 119 Y C 0.151 175.766 175.900 -0.474 0.000 1.082 119 Y CA -1.008 56.763 58.100 -0.547 0.000 1.171 119 Y CB 1.152 38.868 38.460 -1.240 0.000 1.326 119 Y HN 0.384 nan 8.280 nan 0.000 0.513 120 D N 0.381 120.593 120.400 -0.312 0.000 2.500 120 D HA 0.062 4.701 4.640 -0.002 0.000 0.219 120 D C -0.208 175.947 176.300 -0.242 0.000 1.137 120 D CA -0.317 53.560 54.000 -0.205 0.000 0.946 120 D CB -0.024 40.641 40.800 -0.225 0.000 1.022 120 D HN 0.537 nan 8.370 nan 0.000 0.518 121 W N 1.821 123.128 121.300 0.011 0.000 2.538 121 W HA -0.054 4.605 4.660 -0.002 0.000 0.254 121 W C 1.569 178.108 176.519 0.033 0.000 1.249 121 W CA -0.136 57.219 57.345 0.018 0.000 1.253 121 W CB 0.324 29.822 29.460 0.064 0.000 1.130 121 W HN 0.337 nan 8.180 nan 0.000 0.618 122 D N -0.143 120.374 120.400 0.195 0.000 2.264 122 D HA -0.097 4.542 4.640 -0.002 0.000 0.208 122 D C 1.476 177.850 176.300 0.123 0.000 0.966 122 D CA 1.063 55.180 54.000 0.194 0.000 0.864 122 D CB -0.234 40.658 40.800 0.153 0.000 0.933 122 D HN 0.283 nan 8.370 nan 0.000 0.499 123 R N 0.786 121.278 120.500 -0.013 0.000 2.426 123 R HA 0.118 4.457 4.340 -0.002 0.000 0.263 123 R C 0.572 176.885 176.300 0.023 0.000 0.961 123 R CA -0.206 55.842 56.100 -0.087 0.000 1.086 123 R CB 0.304 30.486 30.300 -0.197 0.000 1.186 123 R HN 0.197 nan 8.270 nan 0.000 0.537 124 E N 1.649 121.913 120.200 0.105 0.000 2.442 124 E HA 0.065 4.414 4.350 -0.002 0.000 0.262 124 E C -0.583 176.134 176.600 0.196 0.000 1.004 124 E CA -0.122 56.388 56.400 0.184 0.000 0.928 124 E CB 0.789 30.733 29.700 0.406 0.000 0.937 124 E HN 0.001 nan 8.360 nan 0.000 0.446 125 V N 1.022 121.028 119.914 0.153 0.000 2.789 125 V HA 0.626 4.745 4.120 -0.002 0.000 0.311 125 V C -0.699 175.441 176.094 0.075 0.000 1.073 125 V CA -0.682 61.658 62.300 0.067 0.000 0.921 125 V CB 2.144 33.880 31.823 -0.145 0.000 1.009 125 V HN 0.627 nan 8.190 nan 0.000 0.426 126 T N 2.399 116.986 114.554 0.054 0.000 2.930 126 T HA 0.320 4.669 4.350 -0.002 0.000 0.313 126 T C 1.174 175.764 174.700 -0.183 0.000 1.019 126 T CA 0.297 62.422 62.100 0.041 0.000 1.004 126 T CB 1.064 70.007 68.868 0.124 0.000 0.987 126 T HN 1.147 nan 8.240 nan 0.000 0.456 127 T N -1.332 112.997 114.554 -0.376 0.000 2.849 127 T HA -0.177 4.173 4.350 -0.002 0.000 0.270 127 T C 2.259 176.695 174.700 -0.440 0.000 1.066 127 T CA 1.511 63.322 62.100 -0.482 0.000 1.130 127 T CB -0.910 67.725 68.868 -0.388 0.000 0.864 127 T HN 0.837 nan 8.240 nan 0.000 0.481 128 C N 0.941 119.767 119.300 -0.789 0.000 2.539 128 C HA 0.342 4.801 4.460 -0.002 0.000 0.271 128 C C 0.805 175.503 174.990 -0.488 0.000 1.412 128 C CA -1.423 56.702 59.018 -1.488 0.000 1.729 128 C CB -1.642 25.270 27.740 -1.381 0.000 1.739 128 C HN 0.491 nan 8.230 nan 0.000 0.570 129 E N 1.978 122.102 120.200 -0.127 0.000 2.283 129 E HA 0.201 4.550 4.350 -0.002 0.000 0.278 129 E C -1.685 174.850 176.600 -0.108 0.000 1.027 129 E CA -1.728 54.685 56.400 0.021 0.000 0.843 129 E CB 1.215 30.963 29.700 0.080 0.000 1.062 129 E HN 0.094 nan 8.360 nan 0.000 0.401 130 P HA -0.197 nan 4.420 nan 0.000 0.217 130 P C 0.488 177.439 177.300 -0.581 0.000 1.148 130 P CA 1.184 63.690 63.100 -0.990 0.000 0.828 130 P CB 0.281 31.684 31.700 -0.494 0.000 0.783 131 E N -2.733 117.330 120.200 -0.228 0.000 2.331 131 E HA -0.188 4.161 4.350 -0.002 0.000 0.199 131 E C 1.580 178.203 176.600 0.038 0.000 1.008 131 E CA 0.973 57.322 56.400 -0.084 0.000 0.843 131 E CB -0.600 29.140 29.700 0.067 0.000 0.761 131 E HN 0.444 nan 8.360 nan 0.000 0.507 132 Y N -1.238 119.035 120.300 -0.045 0.000 2.506 132 Y HA -0.014 4.535 4.550 -0.002 0.000 0.287 132 Y C 1.655 177.721 175.900 0.277 0.000 1.147 132 Y CA 0.295 58.512 58.100 0.195 0.000 1.241 132 Y CB -0.148 38.412 38.460 0.167 0.000 1.279 132 Y HN 0.152 nan 8.280 nan 0.000 0.527 133 Y N 1.188 121.681 120.300 0.321 0.000 2.632 133 Y HA 0.057 4.606 4.550 -0.002 0.000 0.301 133 Y C 2.015 177.940 175.900 0.041 0.000 1.172 133 Y CA 0.597 58.852 58.100 0.258 0.000 1.328 133 Y CB -0.745 37.909 38.460 0.324 0.000 1.016 133 Y HN 0.117 nan 8.280 nan 0.000 0.529 134 R N -0.210 120.150 120.500 -0.233 0.000 2.148 134 R HA -0.095 4.244 4.340 -0.002 0.000 0.223 134 R C 1.058 177.204 176.300 -0.256 0.000 1.088 134 R CA 1.430 57.306 56.100 -0.374 0.000 0.985 134 R CB -1.039 28.798 30.300 -0.772 0.000 0.880 134 R HN 0.537 nan 8.270 nan 0.000 0.451 135 W N 0.993 122.332 121.300 0.066 0.000 2.770 135 W HA 0.165 4.824 4.660 -0.002 0.000 0.256 135 W C 1.580 178.152 176.519 0.088 0.000 1.291 135 W CA -0.549 56.804 57.345 0.013 0.000 1.396 135 W CB 0.032 29.455 29.460 -0.061 0.000 1.114 135 W HN 0.113 nan 8.180 nan 0.000 0.637 136 N N 0.528 119.472 118.700 0.406 0.000 2.171 136 N HA -0.133 4.606 4.740 -0.002 0.000 0.184 136 N C 1.601 177.230 175.510 0.199 0.000 1.021 136 N CA 1.294 54.603 53.050 0.431 0.000 0.854 136 N CB -0.563 38.101 38.487 0.295 0.000 0.994 136 N HN 0.365 nan 8.380 nan 0.000 0.426 137 Q N -0.831 119.036 119.800 0.112 0.000 2.079 137 Q HA -0.140 4.199 4.340 -0.002 0.000 0.200 137 Q C 1.830 177.949 176.000 0.199 0.000 0.974 137 Q CA 1.079 56.898 55.803 0.027 0.000 0.840 137 Q CB -0.219 28.500 28.738 -0.032 0.000 0.898 137 Q HN 0.436 nan 8.270 nan 0.000 0.430 138 W N 1.609 122.962 121.300 0.088 0.000 2.333 138 W HA -0.201 4.458 4.660 -0.001 0.000 0.316 138 W C 1.753 178.346 176.519 0.123 0.000 1.215 138 W CA 1.531 58.955 57.345 0.132 0.000 1.278 138 W CB -0.191 29.450 29.460 0.301 0.000 1.154 138 W HN -0.002 nan 8.180 nan 0.000 0.486 139 I N -0.309 120.571 120.570 0.516 0.000 2.264 139 I HA -0.312 3.857 4.170 -0.002 0.000 0.248 139 I C 2.362 178.583 176.117 0.174 0.000 1.111 139 I CA 1.535 63.018 61.300 0.306 0.000 1.382 139 I CB -0.841 37.288 38.000 0.215 0.000 1.060 139 I HN 0.012 nan 8.210 nan 0.000 0.418 140 F N 1.524 121.564 119.950 0.149 0.000 2.171 140 F HA -0.197 4.329 4.527 -0.002 0.000 0.300 140 F C 2.148 177.908 175.800 -0.066 0.000 1.090 140 F CA 1.587 59.611 58.000 0.040 0.000 1.293 140 F CB -0.128 38.799 39.000 -0.121 0.000 1.013 140 F HN -0.101 nan 8.300 nan 0.000 0.486 141 L N -0.100 121.167 121.223 0.074 0.000 2.072 141 L HA -0.183 4.156 4.340 -0.002 0.000 0.205 141 L C 2.492 179.309 176.870 -0.088 0.000 1.079 141 L CA 0.980 55.791 54.840 -0.048 0.000 0.752 141 L CB -0.711 41.262 42.059 -0.144 0.000 0.906 141 L HN -0.041 nan 8.230 nan 0.000 0.436 142 K N -0.016 120.258 120.400 -0.210 0.000 2.147 142 K HA -0.116 4.203 4.320 -0.002 0.000 0.205 142 K C 2.001 178.639 176.600 0.063 0.000 1.049 142 K CA 1.438 57.646 56.287 -0.131 0.000 0.936 142 K CB -0.255 32.113 32.500 -0.219 0.000 0.722 142 K HN 0.382 nan 8.250 nan 0.000 0.446 143 M N -0.757 118.751 119.600 -0.153 0.000 2.200 143 M HA -0.122 4.357 4.480 -0.002 0.000 0.265 143 M C 2.079 178.275 176.300 -0.174 0.000 1.066 143 M CA 1.119 56.180 55.300 -0.399 0.000 1.127 143 M CB -0.328 31.854 32.600 -0.698 0.000 1.379 143 M HN 0.292 nan 8.290 nan 0.000 0.420 144 W N 2.229 123.321 121.300 -0.347 0.000 2.355 144 W HA -0.187 4.472 4.660 -0.002 0.000 0.309 144 W C 1.318 177.787 176.519 -0.083 0.000 1.206 144 W CA 1.645 58.864 57.345 -0.210 0.000 1.284 144 W CB -0.465 28.867 29.460 -0.213 0.000 1.145 144 W HN 0.266 nan 8.180 nan 0.000 0.502 145 E N 0.072 120.372 120.200 0.167 0.000 2.265 145 E HA -0.171 4.178 4.350 -0.002 0.000 0.196 145 E C 1.571 178.164 176.600 -0.011 0.000 0.996 145 E CA 0.834 57.281 56.400 0.079 0.000 0.832 145 E CB -0.013 29.741 29.700 0.090 0.000 0.756 145 E HN 0.017 nan 8.360 nan 0.000 0.491 146 K N -0.626 119.781 120.400 0.011 0.000 2.399 146 K HA 0.143 4.462 4.320 -0.002 0.000 0.204 146 K C 0.712 177.315 176.600 0.005 0.000 1.023 146 K CA 0.453 56.771 56.287 0.052 0.000 1.127 146 K CB 1.145 33.780 32.500 0.224 0.000 0.856 146 K HN 0.199 nan 8.250 nan 0.000 0.514 147 G N 1.694 110.441 108.800 -0.089 0.000 2.160 147 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.251 147 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.251 147 G C 0.607 175.511 174.900 0.005 0.000 1.008 147 G CA 0.329 45.375 45.100 -0.089 0.000 0.724 147 G HN 0.366 nan 8.290 nan 0.000 0.514 148 L N -0.563 120.655 121.223 -0.009 0.000 2.640 148 L HA 0.555 4.894 4.340 -0.002 0.000 0.230 148 L C 1.359 178.238 176.870 0.014 0.000 1.123 148 L CA 0.716 55.578 54.840 0.037 0.000 0.900 148 L CB 0.333 42.355 42.059 -0.062 0.000 1.146 148 L HN 0.495 nan 8.230 nan 0.000 0.484 149 A N 0.070 122.877 122.820 -0.021 0.000 2.343 149 A HA 0.650 4.969 4.320 -0.002 0.000 0.308 149 A C -1.305 176.441 177.584 0.271 0.000 1.092 149 A CA -0.340 51.689 52.037 -0.013 0.000 0.751 149 A CB 0.733 19.510 19.000 -0.372 0.000 1.203 149 A HN 0.224 nan 8.150 nan 0.000 0.452 150 Y N -0.023 120.488 120.300 0.353 0.000 2.644 150 Y HA 0.811 5.360 4.550 -0.002 0.000 0.338 150 Y C -0.592 175.453 175.900 0.243 0.000 1.119 150 Y CA -1.327 56.949 58.100 0.293 0.000 1.060 150 Y CB 1.124 39.626 38.460 0.070 0.000 1.294 150 Y HN 0.686 nan 8.280 nan 0.000 0.472 151 R N 1.671 122.246 120.500 0.125 0.000 2.460 151 R HA 0.896 5.235 4.340 -0.002 0.000 0.303 151 R C -1.557 174.825 176.300 0.137 0.000 0.968 151 R CA -0.756 55.183 56.100 -0.269 0.000 0.889 151 R CB 1.405 31.234 30.300 -0.785 0.000 1.123 151 R HN 1.081 nan 8.270 nan 0.000 0.455 152 A N 3.748 126.675 122.820 0.178 0.000 2.520 152 A HA 0.345 4.665 4.320 -0.002 0.000 0.298 152 A C -1.201 176.464 177.584 0.134 0.000 1.051 152 A CA -0.848 51.280 52.037 0.151 0.000 0.690 152 A CB 1.563 20.645 19.000 0.137 0.000 1.281 152 A HN 0.772 nan 8.150 nan 0.000 0.402 191 Q N -0.137 119.713 119.800 0.082 0.000 2.495 191 Q HA 0.646 4.985 4.340 -0.002 0.000 0.283 191 Q C -0.753 175.234 176.000 -0.022 0.000 1.097 191 Q CA -1.013 54.803 55.803 0.021 0.000 0.836 191 Q CB 1.436 30.175 28.738 0.003 0.000 1.426 191 Q HN 0.230 nan 8.270 nan 0.000 0.459 192 W N 0.421 121.721 121.300 0.001 0.000 2.316 192 W HA 0.452 5.111 4.660 -0.002 0.000 0.321 192 W C -0.796 175.573 176.519 -0.249 0.000 1.203 192 W CA 0.101 57.468 57.345 0.036 0.000 1.214 192 W CB 0.557 30.093 29.460 0.128 0.000 1.169 192 W HN 0.436 nan 8.180 nan 0.000 0.561 193 Y N 1.377 121.665 120.300 -0.019 0.000 2.581 193 Y HA 0.591 5.140 4.550 -0.002 0.000 0.345 193 Y C -0.405 175.307 175.900 -0.314 0.000 1.036 193 Y CA -1.417 56.540 58.100 -0.239 0.000 1.042 193 Y CB 1.335 39.502 38.460 -0.487 0.000 1.289 193 Y HN 0.004 nan 8.280 nan 0.000 0.471 194 L N 2.317 123.546 121.223 0.011 0.000 2.305 194 L HA 0.515 4.854 4.340 -0.002 0.000 0.284 194 L C 0.425 177.373 176.870 0.130 0.000 1.013 194 L CA -0.779 54.087 54.840 0.043 0.000 0.819 194 L CB 1.584 43.695 42.059 0.087 0.000 1.227 194 L HN 0.552 nan 8.230 nan 0.000 0.417 195 R N 3.304 123.905 120.500 0.169 0.000 4.045 195 R HA 0.030 4.369 4.340 -0.002 0.000 0.174 195 R C 1.247 177.596 176.300 0.083 0.000 1.805 195 R CA 0.027 56.264 56.100 0.229 0.000 1.368 195 R CB -0.216 30.260 30.300 0.292 0.000 1.362 195 R HN 0.731 nan 8.270 nan 0.000 0.777 196 I N 0.845 121.338 120.570 -0.128 0.000 2.493 196 I HA -0.229 3.940 4.170 -0.002 0.000 0.254 196 I C 1.778 177.800 176.117 -0.158 0.000 1.160 196 I CA 1.532 62.486 61.300 -0.576 0.000 1.445 196 I CB 0.101 37.761 38.000 -0.566 0.000 1.086 196 I HN 0.478 nan 8.210 nan 0.000 0.433 197 T N -0.865 113.678 114.554 -0.018 0.000 2.897 197 T HA -0.076 4.273 4.350 -0.002 0.000 0.271 197 T C 1.815 176.501 174.700 -0.023 0.000 1.084 197 T CA 0.902 62.990 62.100 -0.020 0.000 1.123 197 T CB -0.630 68.256 68.868 0.029 0.000 0.865 197 T HN 0.413 nan 8.240 nan 0.000 0.496 198 A N -0.080 122.779 122.820 0.065 0.000 2.172 198 A HA 0.165 4.484 4.320 -0.002 0.000 0.216 198 A C 1.431 178.972 177.584 -0.072 0.000 1.154 198 A CA 0.510 52.562 52.037 0.024 0.000 0.701 198 A CB -0.690 18.362 19.000 0.086 0.000 0.789 198 A HN 0.659 nan 8.150 nan 0.000 0.465 199 Y N -1.727 118.557 120.300 -0.026 0.000 2.531 199 Y HA 0.416 4.965 4.550 -0.002 0.000 0.249 199 Y C 2.218 178.061 175.900 -0.095 0.000 1.168 199 Y CA -0.356 57.754 58.100 0.016 0.000 1.226 199 Y CB -0.194 38.371 38.460 0.175 0.000 1.177 199 Y HN 0.272 nan 8.280 nan 0.000 0.527 200 A N 0.558 123.297 122.820 -0.135 0.000 1.903 200 A HA -0.320 3.999 4.320 -0.002 0.000 0.219 200 A C 2.163 179.509 177.584 -0.397 0.000 1.191 200 A CA 2.408 54.200 52.037 -0.408 0.000 0.638 200 A CB -0.515 17.912 19.000 -0.954 0.000 0.823 200 A HN 0.546 nan 8.150 nan 0.000 0.451 201 E N -0.538 119.470 120.200 -0.320 0.000 2.051 201 E HA -0.223 4.126 4.350 -0.002 0.000 0.192 201 E C 2.275 178.869 176.600 -0.011 0.000 0.991 201 E CA 1.262 57.618 56.400 -0.074 0.000 0.799 201 E CB -0.093 29.620 29.700 0.022 0.000 0.748 201 E HN 0.642 nan 8.360 nan 0.000 0.449 202 R N 0.073 120.574 120.500 0.002 0.000 2.092 202 R HA -0.035 4.304 4.340 -0.002 0.000 0.231 202 R C 2.571 178.896 176.300 0.042 0.000 1.119 202 R CA 0.989 57.112 56.100 0.038 0.000 0.970 202 R CB -0.248 30.105 30.300 0.089 0.000 0.864 202 R HN 0.246 nan 8.270 nan 0.000 0.440 203 L N 0.453 121.712 121.223 0.060 0.000 2.265 203 L HA -0.162 4.177 4.340 -0.002 0.000 0.215 203 L C 2.113 178.989 176.870 0.010 0.000 1.117 203 L CA 0.583 55.453 54.840 0.049 0.000 0.782 203 L CB -0.196 41.905 42.059 0.071 0.000 0.914 203 L HN 0.204 nan 8.230 nan 0.000 0.441 204 L N -0.372 120.857 121.223 0.010 0.000 2.200 204 L HA -0.055 4.284 4.340 -0.002 0.000 0.200 204 L C 2.403 179.279 176.870 0.009 0.000 1.072 204 L CA 1.527 56.383 54.840 0.027 0.000 0.787 204 L CB -0.380 41.725 42.059 0.076 0.000 0.957 204 L HN -0.048 nan 8.230 nan 0.000 0.459 205 K N 0.156 120.562 120.400 0.011 0.000 2.026 205 K HA -0.157 4.162 4.320 -0.002 0.000 0.208 205 K C 1.592 178.171 176.600 -0.035 0.000 1.048 205 K CA 1.912 58.198 56.287 -0.002 0.000 0.929 205 K CB -0.494 32.010 32.500 0.007 0.000 0.713 205 K HN 0.345 nan 8.250 nan 0.000 0.439 206 D N 0.374 120.745 120.400 -0.049 0.000 2.384 206 D HA -0.110 4.529 4.640 -0.002 0.000 0.222 206 D C 1.603 177.812 176.300 -0.151 0.000 0.976 206 D CA 0.572 54.517 54.000 -0.090 0.000 0.915 206 D CB 0.050 40.797 40.800 -0.089 0.000 0.896 206 D HN 0.270 nan 8.370 nan 0.000 0.523 207 L N 0.579 121.716 121.223 -0.144 0.000 2.141 207 L HA -0.132 4.207 4.340 -0.002 0.000 0.209 207 L C 2.259 179.029 176.870 -0.167 0.000 1.094 207 L CA 0.914 55.631 54.840 -0.206 0.000 0.763 207 L CB -0.257 41.721 42.059 -0.135 0.000 0.908 207 L HN -0.003 nan 8.230 nan 0.000 0.437 208 E N 0.213 120.353 120.200 -0.100 0.000 2.049 208 E HA -0.223 4.126 4.350 -0.002 0.000 0.198 208 E C 1.927 178.478 176.600 -0.082 0.000 1.007 208 E CA 1.335 57.693 56.400 -0.070 0.000 0.809 208 E CB -0.394 29.280 29.700 -0.043 0.000 0.749 208 E HN 0.541 nan 8.360 nan 0.000 0.450 209 G N 0.588 109.331 108.800 -0.096 0.000 3.124 209 G HA2 0.082 4.041 3.960 -0.002 0.000 0.212 209 G HA3 0.082 4.041 3.960 -0.002 0.000 0.212 209 G C 0.111 174.935 174.900 -0.127 0.000 1.181 209 G CA -0.323 44.724 45.100 -0.090 0.000 0.803 209 G HN -0.050 nan 8.290 nan 0.000 0.529 210 L N 0.956 122.060 121.223 -0.199 0.000 2.276 210 L HA 0.394 4.733 4.340 -0.002 0.000 0.286 210 L C -0.062 176.699 176.870 -0.182 0.000 1.061 210 L CA -0.854 53.792 54.840 -0.323 0.000 0.807 210 L CB 1.351 43.008 42.059 -0.669 0.000 1.177 210 L HN 0.018 nan 8.230 nan 0.000 0.429 211 N N 4.217 122.887 118.700 -0.050 0.000 3.188 211 N HA 0.168 4.907 4.740 -0.002 0.000 0.279 211 N C -1.413 174.288 175.510 0.318 0.000 1.213 211 N CA -0.206 52.900 53.050 0.093 0.000 1.138 211 N CB 0.050 38.583 38.487 0.077 0.000 1.417 211 N HN 0.303 nan 8.380 nan 0.000 0.526 212 W N 0.978 122.276 121.300 -0.002 0.000 2.804 212 W HA 0.511 5.170 4.660 -0.002 0.000 0.352 212 W C -2.000 174.514 176.519 -0.009 0.000 1.153 212 W CA -2.255 55.090 57.345 -0.001 0.000 1.119 212 W CB -0.530 28.939 29.460 0.014 0.000 1.448 212 W HN 0.162 nan 8.180 nan 0.000 0.600 213 P HA 0.043 nan 4.420 nan 0.000 0.271 213 P C 0.700 178.075 177.300 0.125 0.000 1.216 213 P CA 0.130 63.288 63.100 0.097 0.000 0.771 213 P CB 0.996 32.710 31.700 0.023 0.000 0.864 214 E N 3.149 123.399 120.200 0.082 0.000 2.118 214 E HA -0.242 4.108 4.350 -0.002 0.000 0.195 214 E C 1.657 178.301 176.600 0.073 0.000 0.992 214 E CA 1.608 58.053 56.400 0.075 0.000 0.804 214 E CB -0.263 29.465 29.700 0.045 0.000 0.741 214 E HN 0.343 nan 8.360 nan 0.000 0.458 215 K N -0.551 119.879 120.400 0.050 0.000 2.152 215 K HA -0.121 4.198 4.320 -0.002 0.000 0.206 215 K C 1.748 178.380 176.600 0.052 0.000 1.048 215 K CA 1.349 57.657 56.287 0.036 0.000 0.933 215 K CB 0.093 32.597 32.500 0.006 0.000 0.721 215 K HN 0.066 nan 8.250 nan 0.000 0.447 216 V N 1.025 120.988 119.914 0.082 0.000 2.407 216 V HA -0.153 3.966 4.120 -0.002 0.000 0.245 216 V C 1.959 178.179 176.094 0.210 0.000 1.041 216 V CA 1.533 63.904 62.300 0.118 0.000 1.040 216 V CB -0.324 31.560 31.823 0.103 0.000 0.671 216 V HN 0.275 nan 8.190 nan 0.000 0.455 217 K N 0.888 121.432 120.400 0.241 0.000 2.103 217 K HA -0.125 4.194 4.320 -0.002 0.000 0.207 217 K C 2.293 178.962 176.600 0.116 0.000 1.048 217 K CA 1.524 57.919 56.287 0.179 0.000 0.930 217 K CB -0.434 32.135 32.500 0.114 0.000 0.716 217 K HN 0.464 nan 8.250 nan 0.000 0.444 218 A N 1.246 124.124 122.820 0.098 0.000 1.930 218 A HA -0.131 4.188 4.320 -0.002 0.000 0.217 218 A C 2.097 179.738 177.584 0.096 0.000 1.175 218 A CA 1.363 53.448 52.037 0.080 0.000 0.627 218 A CB -0.415 18.621 19.000 0.061 0.000 0.815 218 A HN 0.184 nan 8.150 nan 0.000 0.443 219 M N -0.924 118.736 119.600 0.100 0.000 2.229 219 M HA -0.148 4.331 4.480 -0.002 0.000 0.264 219 M C 2.293 178.689 176.300 0.160 0.000 1.063 219 M CA 0.979 56.347 55.300 0.114 0.000 1.114 219 M CB -0.300 32.340 32.600 0.067 0.000 1.387 219 M HN 0.410 nan 8.290 nan 0.000 0.420 220 Q N 0.312 120.201 119.800 0.150 0.000 2.049 220 Q HA -0.081 4.258 4.340 -0.002 0.000 0.198 220 Q C 2.093 178.196 176.000 0.171 0.000 0.971 220 Q CA 1.379 57.279 55.803 0.161 0.000 0.833 220 Q CB -0.314 28.509 28.738 0.141 0.000 0.896 220 Q HN 0.559 nan 8.270 nan 0.000 0.434 221 R N 0.386 120.963 120.500 0.129 0.000 2.083 221 R HA -0.091 4.248 4.340 -0.002 0.000 0.237 221 R C 2.263 178.637 176.300 0.123 0.000 1.137 221 R CA 1.320 57.487 56.100 0.111 0.000 0.951 221 R CB -0.442 29.907 30.300 0.081 0.000 0.851 221 R HN 0.199 nan 8.270 nan 0.000 0.434 222 A N 0.814 123.711 122.820 0.129 0.000 1.972 222 A HA -0.183 4.136 4.320 -0.002 0.000 0.219 222 A C 1.864 179.522 177.584 0.124 0.000 1.169 222 A CA 0.873 52.978 52.037 0.112 0.000 0.635 222 A CB -0.803 18.265 19.000 0.114 0.000 0.810 222 A HN 0.596 nan 8.150 nan 0.000 0.446 223 W N 0.477 121.795 121.300 0.030 0.000 2.418 223 W HA -0.105 4.554 4.660 -0.001 0.000 0.292 223 W C 1.694 178.236 176.519 0.039 0.000 1.213 223 W CA 1.488 58.846 57.345 0.021 0.000 1.283 223 W CB -0.153 29.302 29.460 -0.009 0.000 1.119 223 W HN 0.332 nan 8.180 nan 0.000 0.542 224 I N 1.109 121.775 120.570 0.161 0.000 2.252 224 I HA -0.103 4.066 4.170 -0.002 0.000 0.245 224 I C 1.532 177.707 176.117 0.098 0.000 1.102 224 I CA 1.525 62.893 61.300 0.114 0.000 1.385 224 I CB -1.195 36.889 38.000 0.140 0.000 1.064 224 I HN 0.104 nan 8.210 nan 0.000 0.414 225 G N 2.802 111.653 108.800 0.085 0.000 2.374 225 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.289 225 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.289 225 G C 0.213 175.168 174.900 0.092 0.000 1.004 225 G CA 0.007 45.141 45.100 0.056 0.000 1.292 225 G HN 0.472 nan 8.290 nan 0.000 0.502 226 R N 0.348 120.917 120.500 0.115 0.000 2.442 226 R HA 0.496 4.836 4.340 -0.002 0.000 0.291 226 R C 0.070 176.320 176.300 -0.084 0.000 1.069 226 R CA 0.404 56.489 56.100 -0.024 0.000 1.022 226 R CB 0.629 30.966 30.300 0.061 0.000 0.976 226 R HN 0.380 nan 8.270 nan 0.000 0.443 227 S N 2.685 118.288 115.700 -0.161 0.000 2.536 227 S HA 0.243 4.712 4.470 -0.002 0.000 0.287 227 S C -1.191 173.365 174.600 -0.073 0.000 1.101 227 S CA -0.863 57.288 58.200 -0.082 0.000 0.950 227 S CB 1.537 64.713 63.200 -0.039 0.000 1.056 227 S HN 0.622 nan 8.310 nan 0.000 0.481 228 E N 2.295 122.468 120.200 -0.044 0.000 2.180 228 E HA 0.442 4.792 4.350 -0.002 0.000 0.283 228 E C 0.358 176.950 176.600 -0.014 0.000 1.061 228 E CA -0.017 56.367 56.400 -0.027 0.000 0.861 228 E CB 1.238 30.920 29.700 -0.030 0.000 1.056 228 E HN 0.718 nan 8.360 nan 0.000 0.407 229 G N 1.065 109.892 108.800 0.046 0.000 3.251 229 G HA2 0.808 4.767 3.960 -0.002 0.000 0.248 229 G HA3 0.808 4.767 3.960 -0.002 0.000 0.248 229 G C -1.307 173.599 174.900 0.010 0.000 1.320 229 G CA -0.238 44.855 45.100 -0.012 0.000 0.982 229 G HN 0.544 nan 8.290 nan 0.000 0.575 230 A N -0.801 121.960 122.820 -0.097 0.000 2.594 230 A HA 0.683 5.002 4.320 -0.002 0.000 0.296 230 A C -1.237 176.387 177.584 0.067 0.000 1.061 230 A CA -0.475 51.569 52.037 0.011 0.000 0.689 230 A CB 1.669 20.639 19.000 -0.051 0.000 1.280 230 A HN 0.650 nan 8.150 nan 0.000 0.406 231 E N 1.918 122.206 120.200 0.146 0.000 2.133 231 E HA 0.616 4.965 4.350 -0.002 0.000 0.274 231 E C -1.200 175.438 176.600 0.065 0.000 0.930 231 E CA -0.384 56.113 56.400 0.161 0.000 0.770 231 E CB 0.691 30.482 29.700 0.151 0.000 1.104 231 E HN 0.542 nan 8.360 nan 0.000 0.403 232 I N 5.345 125.958 120.570 0.071 0.000 2.441 232 I HA 0.274 4.443 4.170 -0.002 0.000 0.295 232 I C -0.397 175.739 176.117 0.032 0.000 0.994 232 I CA -0.960 60.338 61.300 -0.003 0.000 1.144 232 I CB 1.449 39.433 38.000 -0.026 0.000 1.314 232 I HN 0.416 nan 8.210 nan 0.000 0.445 233 L N 5.900 127.064 121.223 -0.098 0.000 2.264 233 L HA 0.419 4.758 4.340 -0.002 0.000 0.289 233 L C -1.008 175.763 176.870 -0.165 0.000 1.044 233 L CA -0.314 54.505 54.840 -0.037 0.000 0.807 233 L CB 0.543 42.573 42.059 -0.048 0.000 1.192 233 L HN 0.393 nan 8.230 nan 0.000 0.425 234 F N 4.086 124.028 119.950 -0.012 0.000 2.361 234 F HA 0.417 4.943 4.527 -0.002 0.000 0.364 234 F C -2.008 173.794 175.800 0.003 0.000 1.117 234 F CA -2.446 55.550 58.000 -0.006 0.000 1.071 234 F CB 1.080 40.079 39.000 -0.001 0.000 1.188 234 F HN 0.244 nan 8.300 nan 0.000 0.464 235 P HA 0.102 nan 4.420 nan 0.000 0.271 235 P C -0.755 176.614 177.300 0.116 0.000 1.216 235 P CA -0.111 63.037 63.100 0.079 0.000 0.776 235 P CB 0.900 32.618 31.700 0.031 0.000 0.881 236 V N 3.371 123.339 119.914 0.090 0.000 2.383 236 V HA 0.134 4.253 4.120 -0.002 0.000 0.275 236 V C 0.690 176.834 176.094 0.083 0.000 1.036 236 V CA -0.603 61.753 62.300 0.094 0.000 0.889 236 V CB 0.790 32.652 31.823 0.064 0.000 0.985 236 V HN 0.565 nan 8.190 nan 0.000 0.459 237 E N 3.741 124.006 120.200 0.109 0.000 2.585 237 E HA 0.179 4.528 4.350 -0.002 0.000 0.252 237 E C 1.297 177.935 176.600 0.065 0.000 0.981 237 E CA 0.978 57.431 56.400 0.088 0.000 0.943 237 E CB 0.119 29.888 29.700 0.115 0.000 0.923 237 E HN 1.081 nan 8.360 nan 0.000 0.486 238 G N 3.933 112.758 108.800 0.041 0.000 2.168 238 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.263 238 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.263 238 G C -0.188 174.726 174.900 0.023 0.000 0.977 238 G CA 0.582 45.699 45.100 0.028 0.000 0.659 238 G HN 0.468 nan 8.290 nan 0.000 0.533 239 K N -0.402 120.015 120.400 0.028 0.000 2.395 239 K HA 0.472 4.791 4.320 -0.002 0.000 0.247 239 K C 0.732 177.344 176.600 0.021 0.000 0.973 239 K CA -0.522 55.777 56.287 0.021 0.000 0.828 239 K CB 1.811 34.324 32.500 0.022 0.000 1.272 239 K HN 0.167 nan 8.250 nan 0.000 0.439 240 E N 0.760 120.970 120.200 0.016 0.000 2.072 240 E HA -0.057 4.292 4.350 -0.002 0.000 0.190 240 E C 0.254 176.866 176.600 0.020 0.000 0.982 240 E CA 0.359 56.767 56.400 0.015 0.000 0.803 240 E CB 0.391 30.098 29.700 0.010 0.000 0.755 240 E HN 0.244 nan 8.360 nan 0.000 0.453 241 V N 1.820 121.749 119.914 0.025 0.000 2.763 241 V HA 0.038 4.157 4.120 -0.002 0.000 0.306 241 V C -0.355 175.764 176.094 0.043 0.000 1.059 241 V CA 0.378 62.698 62.300 0.034 0.000 1.138 241 V CB 0.546 32.392 31.823 0.038 0.000 0.940 241 V HN 0.169 nan 8.190 nan 0.000 0.489 242 R N 6.226 126.756 120.500 0.049 0.000 2.437 242 R HA 0.523 4.862 4.340 -0.002 0.000 0.310 242 R C -0.760 175.591 176.300 0.086 0.000 0.955 242 R CA -0.654 55.485 56.100 0.064 0.000 0.851 242 R CB 1.728 32.053 30.300 0.042 0.000 1.161 242 R HN 0.672 nan 8.270 nan 0.000 0.446 243 I N 5.143 125.781 120.570 0.113 0.000 2.436 243 I HA 0.158 4.327 4.170 -0.002 0.000 0.289 243 I C -2.032 174.185 176.117 0.166 0.000 1.083 243 I CA -1.919 59.446 61.300 0.109 0.000 1.372 243 I CB 0.739 38.763 38.000 0.041 0.000 1.408 243 I HN 0.210 nan 8.210 nan 0.000 0.516 244 P HA 0.287 nan 4.420 nan 0.000 0.279 244 P C -0.901 176.489 177.300 0.151 0.000 1.239 244 P CA -0.241 62.945 63.100 0.143 0.000 0.789 244 P CB 1.309 33.070 31.700 0.102 0.000 0.933 245 V N 3.953 123.979 119.914 0.186 0.000 2.760 245 V HA 0.422 4.541 4.120 -0.002 0.000 0.309 245 V C -0.820 175.379 176.094 0.174 0.000 1.077 245 V CA -0.569 61.822 62.300 0.151 0.000 0.910 245 V CB 1.822 33.727 31.823 0.137 0.000 1.008 245 V HN 0.402 nan 8.190 nan 0.000 0.424 246 F N 3.307 123.258 119.950 0.003 0.000 2.422 246 F HA 0.830 5.356 4.527 -0.002 0.000 0.333 246 F C 0.059 175.851 175.800 -0.013 0.000 1.095 246 F CA 0.116 58.110 58.000 -0.010 0.000 1.038 246 F CB 1.936 40.914 39.000 -0.037 0.000 1.156 246 F HN 0.550 nan 8.300 nan 0.000 0.483 247 T N 2.312 116.190 114.554 -1.126 0.000 2.942 247 T HA 0.292 4.641 4.350 -0.002 0.000 0.327 247 T C 0.119 174.296 174.700 -0.871 0.000 1.360 247 T CA 0.030 61.659 62.100 -0.785 0.000 1.055 247 T CB 1.177 69.852 68.868 -0.321 0.000 1.261 247 T HN 0.741 nan 8.240 nan 0.000 0.485 248 T N 1.046 115.283 114.554 -0.528 0.000 3.086 248 T HA 0.300 4.649 4.350 -0.002 0.000 0.250 248 T C 0.762 175.340 174.700 -0.204 0.000 1.074 248 T CA -0.220 61.687 62.100 -0.322 0.000 0.988 248 T CB 0.067 68.833 68.868 -0.170 0.000 0.988 248 T HN 0.326 nan 8.240 nan 0.000 0.530 249 R N 1.844 122.227 120.500 -0.194 0.000 3.135 249 R HA 0.277 4.616 4.340 -0.002 0.000 0.343 249 R C -2.044 174.189 176.300 -0.111 0.000 1.227 249 R CA -2.342 53.680 56.100 -0.131 0.000 1.227 249 R CB 0.368 30.609 30.300 -0.098 0.000 1.436 249 R HN 0.311 nan 8.270 nan 0.000 0.595 250 P HA -0.151 nan 4.420 nan 0.000 0.222 250 P C 0.507 177.759 177.300 -0.078 0.000 1.147 250 P CA 1.007 64.055 63.100 -0.088 0.000 0.790 250 P CB 0.257 31.901 31.700 -0.093 0.000 0.780 251 D N 0.202 120.538 120.400 -0.107 0.000 2.351 251 D HA -0.111 4.528 4.640 -0.002 0.000 0.216 251 D C 1.149 177.406 176.300 -0.071 0.000 0.968 251 D CA 1.421 55.343 54.000 -0.130 0.000 0.899 251 D CB -1.111 39.607 40.800 -0.136 0.000 0.907 251 D HN 0.268 nan 8.370 nan 0.000 0.514 252 T N -2.518 112.022 114.554 -0.023 0.000 3.134 252 T HA 0.149 4.499 4.350 -0.002 0.000 0.260 252 T C 1.606 176.387 174.700 0.135 0.000 1.027 252 T CA -0.444 61.688 62.100 0.053 0.000 0.913 252 T CB -0.097 68.807 68.868 0.060 0.000 1.046 252 T HN -0.023 nan 8.240 nan 0.000 0.553 253 L N 1.118 122.415 121.223 0.124 0.000 2.051 253 L HA 0.056 4.395 4.340 -0.002 0.000 0.214 253 L C 1.649 178.600 176.870 0.135 0.000 1.076 253 L CA 1.797 56.704 54.840 0.113 0.000 0.758 253 L CB -1.187 40.894 42.059 0.036 0.000 0.890 253 L HN 0.321 nan 8.230 nan 0.000 0.433 254 F N -0.164 119.824 119.950 0.064 0.000 2.408 254 F HA -0.006 4.520 4.527 -0.002 0.000 0.300 254 F C 2.296 178.160 175.800 0.108 0.000 1.090 254 F CA 1.036 59.090 58.000 0.090 0.000 1.427 254 F CB -0.986 38.055 39.000 0.068 0.000 1.070 254 F HN 0.238 nan 8.300 nan 0.000 0.549 255 G N -0.663 108.305 108.800 0.280 0.000 3.189 255 G HA2 0.322 4.281 3.960 -0.002 0.000 0.225 255 G HA3 0.322 4.281 3.960 -0.002 0.000 0.225 255 G C 0.460 175.451 174.900 0.152 0.000 1.159 255 G CA 0.227 45.461 45.100 0.222 0.000 0.763 255 G HN 0.321 nan 8.290 nan 0.000 0.549 256 A N 1.148 124.050 122.820 0.137 0.000 2.410 256 A HA 0.479 4.799 4.320 -0.002 0.000 0.292 256 A C 1.492 179.139 177.584 0.105 0.000 1.232 256 A CA 0.534 52.616 52.037 0.075 0.000 0.893 256 A CB 0.062 19.142 19.000 0.135 0.000 1.131 256 A HN 0.332 nan 8.150 nan 0.000 0.530 257 T N -0.430 114.185 114.554 0.102 0.000 3.086 257 T HA 0.474 4.823 4.350 -0.002 0.000 0.250 257 T C 0.051 174.997 174.700 0.410 0.000 1.074 257 T CA 0.477 62.729 62.100 0.252 0.000 0.988 257 T CB -0.736 68.315 68.868 0.305 0.000 0.988 257 T HN 1.297 nan 8.240 nan 0.000 0.530 258 F N -0.997 118.944 119.950 -0.016 0.000 2.878 258 F HA 0.657 5.183 4.527 -0.002 0.000 0.322 258 F C -2.413 173.300 175.800 -0.145 0.000 1.154 258 F CA -2.074 55.898 58.000 -0.046 0.000 0.896 258 F CB 0.665 39.629 39.000 -0.059 0.000 1.313 258 F HN -0.144 nan 8.300 nan 0.000 0.451 259 L N 1.847 123.060 121.223 -0.017 0.000 2.322 259 L HA 0.915 5.254 4.340 -0.002 0.000 0.269 259 L C -1.049 175.780 176.870 -0.068 0.000 1.012 259 L CA -1.537 53.162 54.840 -0.234 0.000 0.815 259 L CB 2.052 43.936 42.059 -0.291 0.000 1.295 259 L HN 0.602 nan 8.230 nan 0.000 0.438 260 V N 2.943 122.739 119.914 -0.197 0.000 2.524 260 V HA 0.358 4.477 4.120 -0.002 0.000 0.297 260 V C -0.587 175.398 176.094 -0.182 0.000 1.035 260 V CA -0.458 61.742 62.300 -0.168 0.000 0.867 260 V CB 1.897 33.514 31.823 -0.344 0.000 1.004 260 V HN 0.369 nan 8.190 nan 0.000 0.426 261 L N 3.746 124.896 121.223 -0.123 0.000 2.343 261 L HA 0.810 5.149 4.340 -0.002 0.000 0.275 261 L C 0.798 177.668 176.870 0.001 0.000 1.056 261 L CA -0.019 54.767 54.840 -0.090 0.000 0.804 261 L CB 1.484 43.438 42.059 -0.176 0.000 1.203 261 L HN 0.774 nan 8.230 nan 0.000 0.440 262 A N 3.972 126.870 122.820 0.130 0.000 2.407 262 A HA 0.438 4.757 4.320 -0.002 0.000 0.248 262 A C -1.627 176.055 177.584 0.163 0.000 1.082 262 A CA -0.795 51.335 52.037 0.155 0.000 0.785 262 A CB -0.224 18.939 19.000 0.272 0.000 1.020 262 A HN 0.725 nan 8.150 nan 0.000 0.489 263 P HA -0.160 nan 4.420 nan 0.000 0.217 263 P C 0.501 177.832 177.300 0.051 0.000 1.148 263 P CA 1.555 64.738 63.100 0.139 0.000 0.828 263 P CB 0.145 31.969 31.700 0.207 0.000 0.783 264 E N -2.601 117.594 120.200 -0.008 0.000 2.511 264 E HA -0.076 4.273 4.350 -0.002 0.000 0.196 264 E C 0.701 177.045 176.600 -0.427 0.000 1.066 264 E CA 0.114 56.388 56.400 -0.210 0.000 0.871 264 E CB -0.786 28.743 29.700 -0.284 0.000 0.863 264 E HN 0.372 nan 8.360 nan 0.000 0.520 265 H N 0.906 119.851 119.070 -0.208 0.000 2.848 265 H HA 0.040 4.595 4.556 -0.002 0.000 0.317 265 H C -1.741 173.518 175.328 -0.115 0.000 1.046 265 H CA -2.080 53.908 56.048 -0.100 0.000 1.470 265 H CB 1.193 31.047 29.762 0.153 0.000 1.483 265 H HN -0.112 nan 8.280 nan 0.000 0.548 266 P HA -0.121 nan 4.420 nan 0.000 0.222 266 P C 1.140 178.530 177.300 0.149 0.000 1.142 266 P CA 1.084 64.197 63.100 0.023 0.000 0.788 266 P CB 0.218 31.900 31.700 -0.030 0.000 0.767 267 L N -2.817 118.619 121.223 0.356 0.000 2.554 267 L HA 0.057 4.396 4.340 -0.002 0.000 0.225 267 L C 1.962 178.836 176.870 0.007 0.000 1.104 267 L CA 0.535 55.449 54.840 0.124 0.000 0.866 267 L CB -0.862 41.222 42.059 0.043 0.000 1.047 267 L HN -0.053 nan 8.230 nan 0.000 0.468 268 T N 0.720 115.288 114.554 0.025 0.000 2.708 268 T HA -0.153 4.196 4.350 -0.002 0.000 0.266 268 T C 1.810 176.475 174.700 -0.057 0.000 1.037 268 T CA 1.457 63.536 62.100 -0.035 0.000 1.146 268 T CB -0.100 68.769 68.868 0.002 0.000 0.865 268 T HN 0.076 nan 8.240 nan 0.000 0.435 269 L N 0.583 121.785 121.223 -0.035 0.000 2.209 269 L HA 0.184 4.523 4.340 -0.002 0.000 0.207 269 L C 2.503 179.342 176.870 -0.052 0.000 1.094 269 L CA 1.228 56.039 54.840 -0.048 0.000 0.790 269 L CB -0.637 41.401 42.059 -0.035 0.000 0.932 269 L HN 0.253 nan 8.230 nan 0.000 0.447 270 E N 0.187 120.366 120.200 -0.035 0.000 2.077 270 E HA -0.184 4.165 4.350 -0.002 0.000 0.193 270 E C 2.060 178.632 176.600 -0.047 0.000 0.989 270 E CA 1.087 57.468 56.400 -0.031 0.000 0.800 270 E CB -0.008 29.687 29.700 -0.008 0.000 0.746 270 E HN 0.445 nan 8.360 nan 0.000 0.452 271 L N 0.574 121.760 121.223 -0.063 0.000 2.509 271 L HA 0.166 4.505 4.340 -0.002 0.000 0.222 271 L C 0.916 177.706 176.870 -0.135 0.000 1.123 271 L CA -0.184 54.605 54.840 -0.086 0.000 0.856 271 L CB -0.013 41.990 42.059 -0.092 0.000 0.985 271 L HN 0.033 nan 8.230 nan 0.000 0.456 272 A N 1.404 124.139 122.820 -0.141 0.000 2.537 272 A HA 0.411 4.730 4.320 -0.002 0.000 0.260 272 A C 0.878 178.361 177.584 -0.168 0.000 1.082 272 A CA 0.100 52.026 52.037 -0.185 0.000 0.765 272 A CB -0.187 18.723 19.000 -0.151 0.000 1.019 272 A HN 0.287 nan 8.150 nan 0.000 0.507 273 A N 5.041 127.730 122.820 -0.218 0.000 2.475 273 A HA 0.401 4.720 4.320 -0.002 0.000 0.239 273 A C -0.869 176.637 177.584 -0.130 0.000 1.087 273 A CA -0.377 51.559 52.037 -0.169 0.000 0.779 273 A CB -0.432 18.445 19.000 -0.206 0.000 1.036 273 A HN 0.636 nan 8.150 nan 0.000 0.506 274 P HA -0.195 nan 4.420 nan 0.000 0.215 274 P C 0.879 178.135 177.300 -0.074 0.000 1.157 274 P CA 1.898 64.955 63.100 -0.071 0.000 0.874 274 P CB -0.012 31.657 31.700 -0.052 0.000 0.790 275 E N -0.897 119.256 120.200 -0.079 0.000 2.365 275 E HA -0.022 4.328 4.350 -0.002 0.000 0.188 275 E C 0.912 177.452 176.600 -0.099 0.000 1.102 275 E CA 0.301 56.658 56.400 -0.073 0.000 0.927 275 E CB -0.325 29.340 29.700 -0.059 0.000 1.073 275 E HN 0.130 nan 8.360 nan 0.000 0.467 276 K N 0.168 120.492 120.400 -0.127 0.000 2.567 276 K HA 0.118 4.437 4.320 -0.002 0.000 0.218 276 K C 1.584 178.105 176.600 -0.132 0.000 1.440 276 K CA -0.147 56.044 56.287 -0.160 0.000 0.995 276 K CB 0.247 32.588 32.500 -0.265 0.000 1.186 276 K HN 0.055 nan 8.250 nan 0.000 0.593 277 R N 2.194 122.631 120.500 -0.106 0.000 2.105 277 R HA -0.151 4.188 4.340 -0.002 0.000 0.239 277 R C 1.945 178.213 176.300 -0.055 0.000 1.135 277 R CA 1.902 57.954 56.100 -0.081 0.000 0.967 277 R CB 0.127 30.388 30.300 -0.066 0.000 0.861 277 R HN 0.254 nan 8.270 nan 0.000 0.442 278 E N 0.368 120.540 120.200 -0.046 0.000 2.017 278 E HA -0.271 4.078 4.350 -0.002 0.000 0.193 278 E C 1.869 178.460 176.600 -0.015 0.000 0.997 278 E CA 1.659 58.043 56.400 -0.026 0.000 0.804 278 E CB -0.110 29.577 29.700 -0.023 0.000 0.757 278 E HN 0.426 nan 8.360 nan 0.000 0.448 279 E N -0.131 120.054 120.200 -0.025 0.000 2.085 279 E HA -0.198 4.151 4.350 -0.002 0.000 0.194 279 E C 2.115 178.724 176.600 0.015 0.000 0.994 279 E CA 1.613 58.010 56.400 -0.005 0.000 0.801 279 E CB 0.079 29.758 29.700 -0.036 0.000 0.743 279 E HN 0.197 nan 8.360 nan 0.000 0.453 280 V N 1.132 121.024 119.914 -0.036 0.000 2.343 280 V HA -0.241 3.878 4.120 -0.002 0.000 0.247 280 V C 2.440 178.558 176.094 0.040 0.000 1.051 280 V CA 1.492 63.776 62.300 -0.027 0.000 1.036 280 V CB -0.554 31.211 31.823 -0.097 0.000 0.654 280 V HN 0.341 nan 8.190 nan 0.000 0.451 281 L N 0.932 122.162 121.223 0.012 0.000 2.012 281 L HA -0.141 4.198 4.340 -0.002 0.000 0.210 281 L C 2.474 179.369 176.870 0.041 0.000 1.073 281 L CA 2.448 57.298 54.840 0.017 0.000 0.748 281 L CB -1.087 40.970 42.059 -0.003 0.000 0.891 281 L HN 0.240 nan 8.230 nan 0.000 0.431 282 A N -1.446 121.404 122.820 0.049 0.000 1.865 282 A HA -0.317 4.002 4.320 -0.002 0.000 0.217 282 A C 2.336 179.966 177.584 0.076 0.000 1.191 282 A CA 1.948 54.015 52.037 0.051 0.000 0.623 282 A CB -1.375 17.656 19.000 0.051 0.000 0.826 282 A HN 0.606 nan 8.150 nan 0.000 0.444 283 Y N 0.704 121.007 120.300 0.004 0.000 2.151 283 Y HA -0.233 4.316 4.550 -0.002 0.000 0.284 283 Y C 2.424 178.335 175.900 0.018 0.000 1.166 283 Y CA 2.026 60.139 58.100 0.021 0.000 1.163 283 Y CB -0.348 38.128 38.460 0.026 0.000 0.974 283 Y HN 0.076 nan 8.280 nan 0.000 0.511 284 V N 0.376 120.415 119.914 0.208 0.000 2.343 284 V HA -0.310 3.809 4.120 -0.002 0.000 0.247 284 V C 2.134 178.238 176.094 0.017 0.000 1.051 284 V CA 2.340 64.710 62.300 0.116 0.000 1.036 284 V CB -0.612 31.254 31.823 0.072 0.000 0.654 284 V HN 0.435 nan 8.190 nan 0.000 0.451 285 E N 0.327 120.529 120.200 0.003 0.000 2.072 285 E HA -0.162 4.187 4.350 -0.002 0.000 0.191 285 E C 2.331 178.904 176.600 -0.046 0.000 0.985 285 E CA 1.244 57.632 56.400 -0.020 0.000 0.801 285 E CB -0.355 29.337 29.700 -0.013 0.000 0.750 285 E HN 0.589 nan 8.360 nan 0.000 0.452 286 A N 1.406 124.181 122.820 -0.076 0.000 1.972 286 A HA -0.098 4.221 4.320 -0.002 0.000 0.219 286 A C 2.340 179.840 177.584 -0.139 0.000 1.169 286 A CA 1.553 53.522 52.037 -0.113 0.000 0.635 286 A CB -0.483 18.421 19.000 -0.160 0.000 0.810 286 A HN 0.287 nan 8.150 nan 0.000 0.446 287 A N -0.236 122.484 122.820 -0.166 0.000 1.930 287 A HA -0.114 4.205 4.320 -0.002 0.000 0.217 287 A C 2.116 179.672 177.584 -0.047 0.000 1.175 287 A CA 1.786 53.750 52.037 -0.122 0.000 0.627 287 A CB -0.369 18.588 19.000 -0.072 0.000 0.815 287 A HN 0.539 nan 8.150 nan 0.000 0.443 288 K N -0.221 120.157 120.400 -0.037 0.000 2.103 288 K HA -0.085 4.234 4.320 -0.002 0.000 0.204 288 K C 1.989 178.577 176.600 -0.020 0.000 1.052 288 K CA 1.017 57.290 56.287 -0.023 0.000 0.945 288 K CB -0.147 32.337 32.500 -0.026 0.000 0.722 288 K HN 0.400 nan 8.250 nan 0.000 0.443 289 R N 0.809 121.293 120.500 -0.027 0.000 2.293 289 R HA -0.044 4.295 4.340 -0.002 0.000 0.219 289 R C 0.520 176.812 176.300 -0.013 0.000 1.091 289 R CA 0.865 56.953 56.100 -0.020 0.000 1.004 289 R CB 0.032 30.317 30.300 -0.025 0.000 0.865 289 R HN 0.137 nan 8.270 nan 0.000 0.469 290 K N -0.003 120.388 120.400 -0.013 0.000 2.419 290 K HA 0.237 4.556 4.320 -0.002 0.000 0.246 290 K C 0.178 176.787 176.600 0.015 0.000 1.037 290 K CA -0.430 55.858 56.287 0.001 0.000 0.982 290 K CB 1.167 33.666 32.500 -0.002 0.000 1.283 290 K HN -0.085 nan 8.250 nan 0.000 0.500 291 T N -2.607 111.964 114.554 0.028 0.000 2.908 291 T HA 0.233 4.582 4.350 -0.002 0.000 0.290 291 T C 0.698 175.430 174.700 0.053 0.000 1.034 291 T CA -0.888 61.235 62.100 0.039 0.000 1.010 291 T CB 1.607 70.499 68.868 0.041 0.000 1.068 291 T HN 0.522 nan 8.240 nan 0.000 0.481 292 E N 0.345 120.580 120.200 0.059 0.000 2.267 292 E HA -0.112 4.237 4.350 -0.002 0.000 0.197 292 E C 1.590 178.236 176.600 0.078 0.000 0.998 292 E CA 0.808 57.251 56.400 0.071 0.000 0.830 292 E CB -0.108 29.635 29.700 0.071 0.000 0.751 292 E HN 0.677 nan 8.360 nan 0.000 0.491 293 I N 1.426 122.040 120.570 0.073 0.000 2.233 293 I HA -0.241 3.928 4.170 -0.002 0.000 0.243 293 I C 2.318 178.478 176.117 0.072 0.000 1.093 293 I CA 1.336 62.681 61.300 0.074 0.000 1.380 293 I CB -0.014 38.029 38.000 0.070 0.000 1.067 293 I HN 0.061 nan 8.210 nan 0.000 0.413 294 E N 0.375 120.614 120.200 0.065 0.000 2.358 294 E HA -0.183 4.166 4.350 -0.002 0.000 0.195 294 E C 2.082 178.728 176.600 0.078 0.000 1.010 294 E CA 0.339 56.776 56.400 0.063 0.000 0.856 294 E CB -0.181 29.549 29.700 0.050 0.000 0.795 294 E HN 0.510 nan 8.360 nan 0.000 0.504 295 R N 0.599 121.151 120.500 0.088 0.000 2.100 295 R HA 0.016 4.355 4.340 -0.002 0.000 0.220 295 R C 2.060 178.449 176.300 0.149 0.000 1.091 295 R CA 1.105 57.275 56.100 0.117 0.000 0.986 295 R CB 0.012 30.378 30.300 0.110 0.000 0.888 295 R HN 0.166 nan 8.270 nan 0.000 0.444 296 Q N 0.589 120.465 119.800 0.128 0.000 2.246 296 Q HA 0.225 4.564 4.340 -0.002 0.000 0.202 296 Q C -0.827 175.237 176.000 0.107 0.000 0.883 296 Q CA -0.367 55.517 55.803 0.135 0.000 0.952 296 Q CB 0.751 29.560 28.738 0.119 0.000 1.078 296 Q HN 0.181 nan 8.270 nan 0.000 0.493 297 A N 1.460 124.337 122.820 0.095 0.000 2.454 297 A HA 0.073 4.392 4.320 -0.002 0.000 0.260 297 A C -0.199 177.426 177.584 0.069 0.000 1.106 297 A CA -0.218 51.864 52.037 0.075 0.000 0.780 297 A CB 0.254 19.294 19.000 0.067 0.000 1.044 297 A HN 0.475 nan 8.150 nan 0.000 0.498 298 E N 1.887 122.120 120.200 0.056 0.000 2.344 298 E HA 0.392 4.741 4.350 -0.002 0.000 0.270 298 E C 1.148 177.771 176.600 0.038 0.000 1.021 298 E CA 0.777 57.203 56.400 0.043 0.000 0.887 298 E CB 0.200 29.921 29.700 0.036 0.000 0.997 298 E HN 1.201 nan 8.360 nan 0.000 0.429 299 G N 4.649 113.468 108.800 0.032 0.000 2.491 299 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.203 299 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.203 299 G C 0.104 175.023 174.900 0.031 0.000 1.052 299 G CA -0.031 45.086 45.100 0.027 0.000 0.675 299 G HN 0.729 nan 8.290 nan 0.000 0.504 300 R N 2.064 122.590 120.500 0.045 0.000 2.756 300 R HA 0.422 4.761 4.340 -0.002 0.000 0.264 300 R C 0.637 176.971 176.300 0.056 0.000 1.026 300 R CA 0.455 56.587 56.100 0.054 0.000 1.121 300 R CB 0.062 30.406 30.300 0.074 0.000 0.999 300 R HN 0.654 nan 8.270 nan 0.000 0.449 301 E N 1.943 122.176 120.200 0.055 0.000 2.415 301 E HA 0.040 4.389 4.350 -0.002 0.000 0.262 301 E C -0.720 175.940 176.600 0.100 0.000 1.038 301 E CA -0.618 55.809 56.400 0.046 0.000 0.921 301 E CB 0.653 30.374 29.700 0.035 0.000 0.950 301 E HN 0.330 nan 8.360 nan 0.000 0.438 302 K N 2.855 123.300 120.400 0.075 0.000 2.316 302 K HA 0.148 4.467 4.320 -0.002 0.000 0.289 302 K C -0.189 176.606 176.600 0.326 0.000 1.070 302 K CA -0.141 56.267 56.287 0.202 0.000 0.928 302 K CB 1.121 33.688 32.500 0.111 0.000 1.039 302 K HN 0.756 nan 8.250 nan 0.000 0.480 303 T N -0.861 114.007 114.554 0.524 0.000 2.932 303 T HA 0.870 5.219 4.350 -0.002 0.000 0.289 303 T C 0.257 175.395 174.700 0.730 0.000 1.039 303 T CA -0.877 61.607 62.100 0.640 0.000 1.024 303 T CB 2.269 71.475 68.868 0.564 0.000 1.090 303 T HN 0.565 nan 8.240 nan 0.000 0.496 304 G N -0.254 108.812 108.800 0.444 0.000 2.338 304 G HA2 0.514 4.473 3.960 -0.002 0.000 0.295 304 G HA3 0.514 4.473 3.960 -0.002 0.000 0.295 304 G C -2.025 172.763 174.900 -0.186 0.000 1.461 304 G CA -0.577 44.560 45.100 0.062 0.000 0.817 304 G HN 1.036 nan 8.290 nan 0.000 0.556 305 V N 0.498 120.223 119.914 -0.314 0.000 2.760 305 V HA 0.589 4.708 4.120 -0.002 0.000 0.309 305 V C -0.928 174.733 176.094 -0.722 0.000 1.077 305 V CA -0.834 61.186 62.300 -0.468 0.000 0.910 305 V CB 1.859 33.419 31.823 -0.438 0.000 1.008 305 V HN 0.865 nan 8.190 nan 0.000 0.424 306 F N 4.419 123.495 119.950 -1.457 0.000 2.445 306 F HA 0.433 4.959 4.527 -0.002 0.000 0.359 306 F C 0.997 176.302 175.800 -0.826 0.000 1.101 306 F CA -0.888 56.076 58.000 -1.727 0.000 1.177 306 F CB 0.710 38.664 39.000 -1.744 0.000 1.110 306 F HN 0.449 nan 8.300 nan 0.000 0.522 307 L N 5.561 126.204 121.223 -0.967 0.000 2.362 307 L HA 0.028 4.367 4.340 -0.002 0.000 0.219 307 L C 1.892 178.154 176.870 -1.014 0.000 1.134 307 L CA 0.973 55.348 54.840 -0.774 0.000 0.807 307 L CB -0.963 40.814 42.059 -0.470 0.000 0.927 307 L HN 1.033 nan 8.230 nan 0.000 0.447 308 G N -0.295 107.279 108.800 -2.043 0.000 2.179 308 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.260 308 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.260 308 G C 0.233 174.705 174.900 -0.713 0.000 0.977 308 G CA 0.104 44.320 45.100 -1.473 0.000 0.641 308 G HN 0.574 nan 8.290 nan 0.000 0.533 309 A N -0.795 121.639 122.820 -0.643 0.000 2.337 309 A HA 0.914 5.233 4.320 -0.002 0.000 0.331 309 A C -0.721 176.772 177.584 -0.151 0.000 1.137 309 A CA -0.685 51.230 52.037 -0.205 0.000 0.807 309 A CB 1.220 20.126 19.000 -0.156 0.000 1.250 309 A HN 0.668 nan 8.150 nan 0.000 0.468 310 Y N -0.547 119.802 120.300 0.082 0.000 2.562 310 Y HA 0.675 5.224 4.550 -0.002 0.000 0.343 310 Y C 0.556 176.520 175.900 0.108 0.000 1.025 310 Y CA -0.035 58.150 58.100 0.142 0.000 1.082 310 Y CB 2.313 40.860 38.460 0.144 0.000 1.264 310 Y HN 0.941 nan 8.280 nan 0.000 0.478 311 A N 1.747 124.748 122.820 0.302 0.000 2.435 311 A HA 0.863 5.182 4.320 -0.002 0.000 0.296 311 A C -2.013 175.729 177.584 0.262 0.000 1.147 311 A CA -0.726 51.455 52.037 0.239 0.000 0.775 311 A CB 1.288 20.411 19.000 0.204 0.000 1.340 311 A HN 0.538 nan 8.150 nan 0.000 0.427 312 L N 2.097 123.462 121.223 0.237 0.000 2.313 312 L HA 0.355 4.694 4.340 -0.002 0.000 0.283 312 L C -0.021 176.966 176.870 0.195 0.000 1.013 312 L CA -0.523 54.426 54.840 0.181 0.000 0.816 312 L CB 1.129 43.244 42.059 0.094 0.000 1.236 312 L HN 0.842 nan 8.230 nan 0.000 0.419 313 N N 5.485 124.297 118.700 0.187 0.000 2.416 313 N HA 0.079 4.818 4.740 -0.002 0.000 0.265 313 N C -1.802 173.655 175.510 -0.088 0.000 1.195 313 N CA -1.116 52.006 53.050 0.120 0.000 0.943 313 N CB 1.620 40.194 38.487 0.144 0.000 1.115 313 N HN 0.300 nan 8.380 nan 0.000 0.481 314 P HA -0.105 nan 4.420 nan 0.000 0.217 314 P C 0.654 177.865 177.300 -0.150 0.000 1.148 314 P CA 1.242 64.184 63.100 -0.263 0.000 0.828 314 P CB 0.277 31.723 31.700 -0.424 0.000 0.783 315 A N -0.736 121.967 122.820 -0.194 0.000 1.874 315 A HA -0.082 4.237 4.320 -0.002 0.000 0.214 315 A C 2.167 179.606 177.584 -0.243 0.000 1.189 315 A CA 2.166 54.045 52.037 -0.262 0.000 0.615 315 A CB -1.560 16.794 19.000 -1.075 0.000 0.830 315 A HN 0.329 nan 8.150 nan 0.000 0.443 316 T N -5.297 109.143 114.554 -0.189 0.000 3.014 316 T HA 0.405 4.754 4.350 -0.002 0.000 0.250 316 T C 1.440 176.168 174.700 0.047 0.000 1.060 316 T CA 1.163 63.266 62.100 0.005 0.000 1.040 316 T CB 0.240 69.150 68.868 0.069 0.000 0.971 316 T HN 1.695 nan 8.240 nan 0.000 0.497 317 G N 2.428 111.241 108.800 0.022 0.000 2.155 317 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.257 317 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.257 317 G C -0.132 174.802 174.900 0.057 0.000 0.983 317 G CA 0.388 45.510 45.100 0.036 0.000 0.676 317 G HN 1.065 nan 8.290 nan 0.000 0.528 318 E N -0.170 120.075 120.200 0.074 0.000 2.373 318 E HA 0.480 4.829 4.350 -0.002 0.000 0.263 318 E C 0.346 177.017 176.600 0.119 0.000 1.073 318 E CA -0.913 55.542 56.400 0.091 0.000 0.894 318 E CB 0.982 30.745 29.700 0.106 0.000 1.008 318 E HN 0.327 nan 8.360 nan 0.000 0.420 319 R N 3.097 123.665 120.500 0.113 0.000 2.234 319 R HA 0.277 4.616 4.340 -0.002 0.000 0.324 319 R C -0.336 176.120 176.300 0.260 0.000 1.054 319 R CA -0.333 55.859 56.100 0.153 0.000 0.912 319 R CB 0.153 30.473 30.300 0.034 0.000 1.030 319 R HN 0.689 nan 8.270 nan 0.000 0.455 320 I N 2.480 123.256 120.570 0.344 0.000 2.509 320 I HA 0.610 4.779 4.170 -0.002 0.000 0.293 320 I C -2.581 173.766 176.117 0.384 0.000 1.020 320 I CA -3.171 58.340 61.300 0.352 0.000 1.088 320 I CB 2.475 40.637 38.000 0.269 0.000 1.267 320 I HN 0.458 nan 8.210 nan 0.000 0.430 321 P HA 0.270 nan 4.420 nan 0.000 0.271 321 P C -0.740 176.732 177.300 0.287 0.000 1.218 321 P CA 0.094 63.209 63.100 0.025 0.000 0.780 321 P CB 1.370 32.985 31.700 -0.141 0.000 0.901 322 I N 2.403 123.121 120.570 0.247 0.000 2.354 322 I HA 0.332 4.501 4.170 -0.002 0.000 0.292 322 I C -0.111 176.165 176.117 0.265 0.000 0.989 322 I CA -0.390 61.031 61.300 0.202 0.000 1.188 322 I CB 0.746 38.750 38.000 0.006 0.000 1.342 322 I HN 0.318 nan 8.210 nan 0.000 0.457 323 W N 3.610 124.931 121.300 0.034 0.000 2.850 323 W HA 0.596 5.255 4.660 -0.002 0.000 0.349 323 W C 0.080 176.534 176.519 -0.109 0.000 1.133 323 W CA -0.627 56.719 57.345 0.001 0.000 1.117 323 W CB 1.574 31.065 29.460 0.052 0.000 1.442 323 W HN 0.173 nan 8.180 nan 0.000 0.575 324 T N 0.835 115.449 114.554 0.099 0.000 2.861 324 T HA 0.821 5.170 4.350 -0.002 0.000 0.287 324 T C -1.336 173.337 174.700 -0.045 0.000 1.003 324 T CA -0.425 61.654 62.100 -0.035 0.000 0.977 324 T CB 0.655 69.456 68.868 -0.111 0.000 0.996 324 T HN 0.681 nan 8.240 nan 0.000 0.448 325 A N 3.414 126.233 122.820 -0.002 0.000 2.549 325 A HA 0.588 4.907 4.320 -0.002 0.000 0.297 325 A C 0.474 178.200 177.584 0.236 0.000 1.061 325 A CA -0.549 51.586 52.037 0.163 0.000 0.690 325 A CB 1.464 20.534 19.000 0.117 0.000 1.287 325 A HN 0.750 nan 8.150 nan 0.000 0.402 326 D N 0.154 120.851 120.400 0.496 0.000 2.218 326 D HA -0.144 4.496 4.640 -0.002 0.000 0.204 326 D C 1.467 177.917 176.300 0.250 0.000 0.976 326 D CA 2.329 56.531 54.000 0.336 0.000 0.853 326 D CB -0.101 40.875 40.800 0.294 0.000 0.939 326 D HN 0.739 nan 8.370 nan 0.000 0.481 327 Y N -0.605 119.813 120.300 0.198 0.000 2.616 327 Y HA 0.157 4.706 4.550 -0.002 0.000 0.296 327 Y C 0.253 176.208 175.900 0.092 0.000 1.154 327 Y CA -0.059 58.122 58.100 0.136 0.000 1.325 327 Y CB -0.305 38.242 38.460 0.144 0.000 1.007 327 Y HN -0.314 nan 8.280 nan 0.000 0.542 328 V N 3.707 123.453 119.914 -0.280 0.000 2.394 328 V HA 0.273 4.392 4.120 -0.002 0.000 0.282 328 V C -0.019 176.060 176.094 -0.024 0.000 1.031 328 V CA -1.073 61.081 62.300 -0.243 0.000 0.881 328 V CB 1.378 32.961 31.823 -0.399 0.000 0.982 328 V HN 0.223 nan 8.190 nan 0.000 0.451 329 L N 3.556 124.794 121.223 0.025 0.000 2.344 329 L HA 0.456 4.795 4.340 -0.002 0.000 0.272 329 L C 0.782 177.717 176.870 0.108 0.000 1.035 329 L CA -0.464 54.425 54.840 0.083 0.000 0.807 329 L CB 1.202 43.304 42.059 0.072 0.000 1.237 329 L HN 0.575 nan 8.230 nan 0.000 0.442 330 F N 1.153 121.100 119.950 -0.005 0.000 2.367 330 F HA 0.073 4.599 4.527 -0.002 0.000 0.298 330 F C 1.955 177.733 175.800 -0.038 0.000 1.094 330 F CA 1.220 59.207 58.000 -0.021 0.000 1.409 330 F CB 0.067 39.042 39.000 -0.040 0.000 1.064 330 F HN 0.571 nan 8.300 nan 0.000 0.528 331 G N -0.679 108.127 108.800 0.009 0.000 2.448 331 G HA2 -0.117 3.842 3.960 -0.002 0.000 0.219 331 G HA3 -0.117 3.842 3.960 -0.002 0.000 0.219 331 G C 0.582 175.400 174.900 -0.136 0.000 1.127 331 G CA 0.809 45.864 45.100 -0.075 0.000 0.766 331 G HN 0.410 nan 8.290 nan 0.000 0.552 332 Y N -0.202 120.033 120.300 -0.108 0.000 2.323 332 Y HA 0.567 5.116 4.550 -0.002 0.000 0.331 332 Y C 1.388 177.217 175.900 -0.119 0.000 1.092 332 Y CA -1.164 56.883 58.100 -0.089 0.000 1.150 332 Y CB 0.167 38.614 38.460 -0.022 0.000 1.200 332 Y HN 1.052 nan 8.280 nan 0.000 0.472 333 G N 1.310 110.038 108.800 -0.121 0.000 2.591 333 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.298 333 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.298 333 G C 1.110 175.906 174.900 -0.174 0.000 1.195 333 G CA 1.553 46.590 45.100 -0.104 0.000 0.989 333 G HN 2.340 nan 8.290 nan 0.000 0.551 334 T N -1.900 112.589 114.554 -0.108 0.000 3.092 334 T HA 0.502 4.851 4.350 -0.002 0.000 0.258 334 T C 2.225 176.776 174.700 -0.249 0.000 1.031 334 T CA 1.447 63.454 62.100 -0.155 0.000 0.925 334 T CB 0.395 69.266 68.868 0.005 0.000 1.036 334 T HN 2.768 nan 8.240 nan 0.000 0.544 335 G N 0.703 109.345 108.800 -0.264 0.000 2.159 335 G HA2 0.086 4.045 3.960 -0.002 0.000 0.256 335 G HA3 0.086 4.045 3.960 -0.002 0.000 0.256 335 G C 0.170 175.165 174.900 0.157 0.000 0.977 335 G CA -0.234 44.760 45.100 -0.176 0.000 0.652 335 G HN 1.423 nan 8.290 nan 0.000 0.531 336 A N -0.546 122.314 122.820 0.067 0.000 2.515 336 A HA 0.931 5.250 4.320 -0.002 0.000 0.298 336 A C -0.372 177.171 177.584 -0.070 0.000 1.059 336 A CA -0.239 51.794 52.037 -0.007 0.000 0.698 336 A CB 1.486 20.462 19.000 -0.040 0.000 1.289 336 A HN 1.748 nan 8.150 nan 0.000 0.404 337 I N -0.956 119.521 120.570 -0.154 0.000 2.969 337 I HA 0.770 4.940 4.170 -0.002 0.000 0.307 337 I C -0.386 175.551 176.117 -0.299 0.000 1.149 337 I CA -1.255 59.938 61.300 -0.178 0.000 1.008 337 I CB 2.317 40.220 38.000 -0.161 0.000 1.232 337 I HN 0.827 nan 8.210 nan 0.000 0.435 338 M N 3.076 122.497 119.600 -0.299 0.000 2.264 338 M HA 0.825 5.304 4.480 -0.002 0.000 0.352 338 M C -0.635 175.437 176.300 -0.380 0.000 1.173 338 M CA -0.266 54.785 55.300 -0.415 0.000 1.075 338 M CB 1.582 34.023 32.600 -0.265 0.000 1.621 338 M HN 0.734 nan 8.290 nan 0.000 0.457 339 A N 3.610 126.065 122.820 -0.608 0.000 2.274 339 A HA 0.639 4.958 4.320 -0.002 0.000 0.309 339 A C -0.441 176.856 177.584 -0.479 0.000 1.226 339 A CA -0.721 50.873 52.037 -0.738 0.000 0.853 339 A CB 0.727 18.675 19.000 -1.754 0.000 1.146 339 A HN 0.787 nan 8.150 nan 0.000 0.518 340 V N 6.030 125.815 119.914 -0.214 0.000 2.260 340 V HA 0.182 4.301 4.120 -0.002 0.000 0.263 340 V C -1.820 174.271 176.094 -0.005 0.000 1.036 340 V CA -0.921 61.349 62.300 -0.050 0.000 0.874 340 V CB 0.904 32.756 31.823 0.049 0.000 1.116 340 V HN 0.745 nan 8.190 nan 0.000 0.454 341 P HA -0.259 nan 4.420 nan 0.000 0.218 341 P C 1.645 179.020 177.300 0.125 0.000 1.154 341 P CA 2.083 65.258 63.100 0.125 0.000 0.872 341 P CB 0.327 32.117 31.700 0.151 0.000 0.790 342 A N -1.673 121.106 122.820 -0.070 0.000 2.119 342 A HA -0.149 4.170 4.320 -0.002 0.000 0.217 342 A C 1.202 178.436 177.584 -0.585 0.000 1.153 342 A CA 1.326 53.167 52.037 -0.327 0.000 0.692 342 A CB -0.946 17.715 19.000 -0.565 0.000 0.799 342 A HN 0.297 nan 8.150 nan 0.000 0.458 343 H N -1.490 117.637 119.070 0.096 0.000 2.885 343 H HA 0.234 4.789 4.556 -0.002 0.000 0.254 343 H C -1.051 174.271 175.328 -0.010 0.000 1.185 343 H CA -0.191 55.875 56.048 0.030 0.000 1.029 343 H CB 0.502 30.273 29.762 0.015 0.000 1.743 343 H HN 0.485 nan 8.280 nan 0.000 0.632 344 D N 1.142 121.586 120.400 0.073 0.000 2.763 344 D HA 0.010 4.649 4.640 -0.002 0.000 0.235 344 D C 0.711 177.052 176.300 0.069 0.000 1.334 344 D CA -0.293 53.736 54.000 0.047 0.000 0.950 344 D CB 2.221 43.041 40.800 0.035 0.000 1.433 344 D HN -0.096 nan 8.370 nan 0.000 0.580 345 Q N 3.338 123.160 119.800 0.036 0.000 2.135 345 Q HA -0.107 4.232 4.340 -0.002 0.000 0.204 345 Q C 1.732 177.782 176.000 0.082 0.000 0.981 345 Q CA 1.743 57.575 55.803 0.047 0.000 0.856 345 Q CB 0.140 28.874 28.738 -0.007 0.000 0.902 345 Q HN 0.506 nan 8.270 nan 0.000 0.425 346 R N -0.218 120.297 120.500 0.025 0.000 2.066 346 R HA -0.103 4.236 4.340 -0.002 0.000 0.232 346 R C 1.694 177.976 176.300 -0.031 0.000 1.131 346 R CA 1.421 57.482 56.100 -0.064 0.000 0.955 346 R CB -0.182 30.035 30.300 -0.140 0.000 0.851 346 R HN 0.374 nan 8.270 nan 0.000 0.432 347 D N -0.256 120.177 120.400 0.055 0.000 2.178 347 D HA -0.197 4.442 4.640 -0.002 0.000 0.201 347 D C 1.578 178.016 176.300 0.230 0.000 0.980 347 D CA 1.056 55.144 54.000 0.146 0.000 0.842 347 D CB -0.308 40.519 40.800 0.044 0.000 0.948 347 D HN 0.242 nan 8.370 nan 0.000 0.472 348 Y N 1.791 122.131 120.300 0.067 0.000 2.114 348 Y HA -0.204 4.345 4.550 -0.002 0.000 0.284 348 Y C 2.166 178.092 175.900 0.044 0.000 1.143 348 Y CA 1.816 59.946 58.100 0.051 0.000 1.135 348 Y CB -0.034 38.431 38.460 0.008 0.000 0.980 348 Y HN -0.068 nan 8.280 nan 0.000 0.499 349 E N -0.679 119.622 120.200 0.168 0.000 2.077 349 E HA -0.224 4.125 4.350 -0.002 0.000 0.193 349 E C 1.965 178.535 176.600 -0.049 0.000 0.989 349 E CA 1.393 57.817 56.400 0.040 0.000 0.800 349 E CB -0.438 29.295 29.700 0.054 0.000 0.746 349 E HN 0.527 nan 8.360 nan 0.000 0.452 350 F N 1.204 121.104 119.950 -0.083 0.000 2.102 350 F HA -0.193 4.333 4.527 -0.002 0.000 0.298 350 F C 2.182 177.933 175.800 -0.081 0.000 1.105 350 F CA 1.478 59.471 58.000 -0.013 0.000 1.239 350 F CB -0.302 38.773 39.000 0.124 0.000 0.991 350 F HN -0.030 nan 8.300 nan 0.000 0.474 351 A N 0.659 123.555 122.820 0.128 0.000 1.902 351 A HA -0.169 4.150 4.320 -0.002 0.000 0.217 351 A C 2.331 179.745 177.584 -0.284 0.000 1.181 351 A CA 1.448 53.416 52.037 -0.116 0.000 0.623 351 A CB -0.595 18.402 19.000 -0.005 0.000 0.818 351 A HN 0.304 nan 8.150 nan 0.000 0.443 352 R N -0.120 120.166 120.500 -0.356 0.000 2.073 352 R HA -0.123 4.216 4.340 -0.002 0.000 0.234 352 R C 2.196 178.290 176.300 -0.345 0.000 1.134 352 R CA 1.730 57.609 56.100 -0.368 0.000 0.952 352 R CB -0.713 29.339 30.300 -0.413 0.000 0.850 352 R HN 0.700 nan 8.270 nan 0.000 0.433 353 K N -0.289 119.847 120.400 -0.441 0.000 2.097 353 K HA -0.093 4.226 4.320 -0.002 0.000 0.206 353 K C 0.997 177.127 176.600 -0.784 0.000 1.049 353 K CA 1.247 57.151 56.287 -0.638 0.000 0.933 353 K CB 0.042 32.024 32.500 -0.864 0.000 0.717 353 K HN 0.034 nan 8.250 nan 0.000 0.442 354 F N 0.048 119.712 119.950 -0.476 0.000 2.664 354 F HA 0.297 4.823 4.527 -0.002 0.000 0.303 354 F C 0.977 176.580 175.800 -0.328 0.000 1.092 354 F CA 0.210 57.947 58.000 -0.439 0.000 1.305 354 F CB 0.835 39.365 39.000 -0.784 0.000 1.054 354 F HN 0.192 nan 8.300 nan 0.000 0.565 355 G N 1.619 110.310 108.800 -0.182 0.000 2.295 355 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.287 355 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.287 355 G C -0.064 174.736 174.900 -0.166 0.000 1.055 355 G CA -0.140 44.873 45.100 -0.145 0.000 0.922 355 G HN 0.311 nan 8.290 nan 0.000 0.503 356 L N -0.172 120.896 121.223 -0.259 0.000 2.343 356 L HA 0.461 4.800 4.340 -0.002 0.000 0.275 356 L C -1.579 175.202 176.870 -0.148 0.000 1.056 356 L CA -2.374 52.283 54.840 -0.304 0.000 0.804 356 L CB 1.142 42.773 42.059 -0.713 0.000 1.203 356 L HN -0.078 nan 8.230 nan 0.000 0.440 357 P HA 0.130 nan 4.420 nan 0.000 0.267 357 P C -0.938 176.398 177.300 0.060 0.000 1.200 357 P CA 0.305 63.414 63.100 0.015 0.000 0.772 357 P CB 0.455 32.189 31.700 0.057 0.000 0.855 358 I N 2.440 123.034 120.570 0.040 0.000 2.439 358 I HA 0.343 4.512 4.170 -0.002 0.000 0.285 358 I C 0.212 176.363 176.117 0.057 0.000 1.021 358 I CA -0.656 60.675 61.300 0.051 0.000 1.091 358 I CB 1.673 39.683 38.000 0.017 0.000 1.242 358 I HN 0.171 nan 8.210 nan 0.000 0.439 359 K N 7.015 127.456 120.400 0.069 0.000 2.358 359 K HA 0.456 4.775 4.320 -0.002 0.000 0.260 359 K C -0.853 175.799 176.600 0.086 0.000 0.956 359 K CA -0.755 55.584 56.287 0.086 0.000 0.834 359 K CB 1.283 33.857 32.500 0.122 0.000 1.102 359 K HN 0.443 nan 8.250 nan 0.000 0.431 360 K N 2.935 123.395 120.400 0.100 0.000 2.339 360 K HA 0.112 4.431 4.320 -0.002 0.000 0.286 360 K C 0.566 177.331 176.600 0.275 0.000 1.050 360 K CA -0.352 56.045 56.287 0.183 0.000 0.956 360 K CB 1.214 33.795 32.500 0.135 0.000 0.990 360 K HN 0.470 nan 8.250 nan 0.000 0.475 361 V N -0.210 120.001 119.914 0.495 0.000 3.382 361 V HA 0.320 4.440 4.120 -0.002 0.000 0.296 361 V C -0.028 176.085 176.094 0.031 0.000 1.529 361 V CA -0.380 62.044 62.300 0.207 0.000 1.048 361 V CB 0.169 32.111 31.823 0.197 0.000 0.878 361 V HN 0.497 nan 8.190 nan 0.000 0.442 362 I N 1.065 121.618 120.570 -0.028 0.000 2.619 362 I HA 0.687 4.856 4.170 -0.002 0.000 0.292 362 I C -0.568 175.600 176.117 0.085 0.000 1.100 362 I CA -0.276 60.954 61.300 -0.117 0.000 1.043 362 I CB 2.090 39.850 38.000 -0.400 0.000 1.239 362 I HN 0.281 nan 8.210 nan 0.000 0.420 363 E N 4.083 124.302 120.200 0.032 0.000 2.369 363 E HA 0.505 4.854 4.350 -0.002 0.000 0.270 363 E C -0.707 175.825 176.600 -0.115 0.000 0.909 363 E CA -1.024 55.326 56.400 -0.084 0.000 0.775 363 E CB 2.953 32.611 29.700 -0.070 0.000 1.270 363 E HN 0.386 nan 8.360 nan 0.000 0.445 364 R N 1.273 121.586 120.500 -0.312 0.000 2.694 364 R HA 0.071 4.410 4.340 -0.002 0.000 0.268 364 R C -1.711 174.543 176.300 -0.076 0.000 1.061 364 R CA -1.135 54.859 56.100 -0.177 0.000 1.133 364 R CB 0.050 30.204 30.300 -0.242 0.000 1.020 364 R HN 0.274 nan 8.270 nan 0.000 0.475 365 P HA -0.095 nan 4.420 nan 0.000 0.217 365 P C 0.922 178.204 177.300 -0.030 0.000 1.150 365 P CA 1.150 64.237 63.100 -0.021 0.000 0.832 365 P CB 0.217 31.914 31.700 -0.005 0.000 0.787 366 G N -1.125 107.655 108.800 -0.034 0.000 3.042 366 G HA2 0.073 4.032 3.960 -0.002 0.000 0.212 366 G HA3 0.073 4.032 3.960 -0.002 0.000 0.212 366 G C -0.038 174.837 174.900 -0.043 0.000 1.166 366 G CA -0.043 45.038 45.100 -0.032 0.000 0.767 366 G HN 0.416 nan 8.290 nan 0.000 0.546 367 E N -0.331 119.832 120.200 -0.062 0.000 2.388 367 E HA 0.327 4.676 4.350 -0.002 0.000 0.282 367 E C -3.316 173.231 176.600 -0.089 0.000 1.026 367 E CA -1.842 54.518 56.400 -0.067 0.000 0.820 367 E CB 1.470 31.129 29.700 -0.067 0.000 1.226 367 E HN -0.043 nan 8.360 nan 0.000 0.432 368 P HA 0.211 nan 4.420 nan 0.000 0.276 368 P C -0.169 177.077 177.300 -0.090 0.000 1.244 368 P CA -0.491 62.566 63.100 -0.071 0.000 0.801 368 P CB 1.003 32.677 31.700 -0.044 0.000 1.006 369 L N 2.884 124.052 121.223 -0.091 0.000 2.452 369 L HA 0.248 4.587 4.340 -0.002 0.000 0.267 369 L C -1.336 175.505 176.870 -0.048 0.000 1.188 369 L CA -1.744 53.041 54.840 -0.093 0.000 0.821 369 L CB -0.213 41.807 42.059 -0.064 0.000 1.102 369 L HN 0.341 nan 8.230 nan 0.000 0.470 370 P HA 0.075 nan 4.420 nan 0.000 0.270 370 P C -0.930 176.368 177.300 -0.004 0.000 1.223 370 P CA -0.182 62.905 63.100 -0.022 0.000 0.785 370 P CB 1.006 32.693 31.700 -0.022 0.000 0.923 371 E N 1.822 122.022 120.200 0.001 0.000 2.260 371 E HA 0.346 4.695 4.350 -0.002 0.000 0.266 371 E C -1.789 174.817 176.600 0.011 0.000 0.887 371 E CA -1.592 54.815 56.400 0.011 0.000 0.777 371 E CB 1.483 31.188 29.700 0.008 0.000 1.205 371 E HN 0.464 nan 8.360 nan 0.000 0.414 372 P HA 0.259 nan 4.420 nan 0.000 0.277 372 P C -0.456 176.871 177.300 0.045 0.000 1.276 372 P CA -0.738 62.381 63.100 0.033 0.000 0.788 372 P CB 0.825 32.546 31.700 0.035 0.000 1.114 373 L N 1.100 122.370 121.223 0.077 0.000 2.290 373 L HA 0.100 4.439 4.340 -0.002 0.000 0.284 373 L C 1.337 178.288 176.870 0.135 0.000 1.078 373 L CA 0.431 55.327 54.840 0.094 0.000 0.815 373 L CB 0.377 42.522 42.059 0.142 0.000 1.162 373 L HN 0.274 nan 8.230 nan 0.000 0.435 374 E N 4.620 124.838 120.200 0.030 0.000 2.340 374 E HA 0.083 4.432 4.350 -0.002 0.000 0.194 374 E C -0.058 176.418 176.600 -0.205 0.000 0.996 374 E CA 0.307 56.715 56.400 0.015 0.000 0.869 374 E CB 0.344 30.035 29.700 -0.014 0.000 0.835 374 E HN 0.667 nan 8.360 nan 0.000 0.493 375 R N -1.370 118.840 120.500 -0.483 0.000 2.741 375 R HA 0.662 5.001 4.340 -0.002 0.000 0.274 375 R C -1.115 174.766 176.300 -0.698 0.000 1.029 375 R CA -0.702 54.825 56.100 -0.956 0.000 0.880 375 R CB 0.654 30.697 30.300 -0.429 0.000 1.264 375 R HN -0.091 nan 8.270 nan 0.000 0.465 376 A N 0.845 123.310 122.820 -0.593 0.000 2.371 376 A HA 0.351 4.670 4.320 -0.002 0.000 0.257 376 A C -1.336 176.249 177.584 0.002 0.000 1.089 376 A CA -0.265 51.664 52.037 -0.181 0.000 0.794 376 A CB 0.179 19.138 19.000 -0.069 0.000 1.029 376 A HN 0.597 nan 8.150 nan 0.000 0.488 377 Y N 1.218 121.529 120.300 0.018 0.000 2.491 377 Y HA 0.391 4.940 4.550 -0.002 0.000 0.334 377 Y C 0.573 176.565 175.900 0.154 0.000 0.969 377 Y CA -0.572 57.580 58.100 0.088 0.000 1.241 377 Y CB 0.888 39.431 38.460 0.138 0.000 1.105 377 Y HN 0.835 nan 8.280 nan 0.000 0.503 378 E N 2.559 122.548 120.200 -0.352 0.000 2.474 378 E HA 0.030 4.379 4.350 -0.002 0.000 0.195 378 E C -0.201 176.120 176.600 -0.465 0.000 1.039 378 E CA 0.137 56.353 56.400 -0.307 0.000 0.881 378 E CB 0.573 30.182 29.700 -0.152 0.000 0.970 378 E HN 0.603 nan 8.360 nan 0.000 0.486 379 E N 1.199 120.887 120.200 -0.853 0.000 2.312 379 E HA 0.207 4.556 4.350 -0.002 0.000 0.259 379 E C -2.366 173.964 176.600 -0.450 0.000 1.122 379 E CA -2.075 53.992 56.400 -0.556 0.000 0.922 379 E CB 0.248 29.737 29.700 -0.352 0.000 1.109 379 E HN -0.129 nan 8.360 nan 0.000 0.442 380 P HA 0.268 nan 4.420 nan 0.000 0.271 380 P C -0.294 177.042 177.300 0.061 0.000 1.233 380 P CA 0.159 63.218 63.100 -0.069 0.000 0.789 380 P CB 0.772 32.445 31.700 -0.045 0.000 0.951 381 G N 0.010 108.843 108.800 0.056 0.000 2.565 381 G HA2 0.391 4.350 3.960 -0.002 0.000 0.142 381 G HA3 0.391 4.350 3.960 -0.002 0.000 0.142 381 G C -1.775 173.139 174.900 0.024 0.000 1.181 381 G CA -0.378 44.779 45.100 0.095 0.000 1.066 381 G HN 0.362 nan 8.290 nan 0.000 0.530 382 I N 1.364 121.941 120.570 0.012 0.000 2.493 382 I HA 0.486 4.655 4.170 -0.002 0.000 0.298 382 I C 0.310 176.407 176.117 -0.033 0.000 0.998 382 I CA -0.629 60.661 61.300 -0.017 0.000 1.137 382 I CB 1.390 39.378 38.000 -0.021 0.000 1.310 382 I HN 0.443 nan 8.210 nan 0.000 0.445 383 M N 5.857 125.428 119.600 -0.049 0.000 2.200 383 M HA 0.428 4.907 4.480 -0.002 0.000 0.355 383 M C -0.157 176.102 176.300 -0.069 0.000 1.283 383 M CA -0.303 54.955 55.300 -0.071 0.000 1.124 383 M CB 1.028 33.576 32.600 -0.086 0.000 1.625 383 M HN 0.475 nan 8.290 nan 0.000 0.463 384 V N 0.440 120.314 119.914 -0.066 0.000 3.130 384 V HA 0.544 4.663 4.120 -0.002 0.000 0.310 384 V C -0.031 176.020 176.094 -0.071 0.000 1.158 384 V CA -1.172 61.093 62.300 -0.059 0.000 1.029 384 V CB 1.988 33.799 31.823 -0.021 0.000 1.057 384 V HN 0.960 nan 8.190 nan 0.000 0.436 385 N N 0.944 119.601 118.700 -0.071 0.000 2.710 385 N HA -0.169 4.570 4.740 -0.002 0.000 0.249 385 N C 0.382 175.794 175.510 -0.164 0.000 1.059 385 N CA 1.284 54.302 53.050 -0.053 0.000 0.720 385 N CB -1.171 37.335 38.487 0.032 0.000 0.983 385 N HN 0.918 nan 8.380 nan 0.000 0.544 386 S N -0.983 114.477 115.700 -0.400 0.000 2.668 386 S HA 0.474 4.943 4.470 -0.002 0.000 0.244 386 S C 1.363 175.314 174.600 -1.082 0.000 1.140 386 S CA -0.031 57.492 58.200 -1.128 0.000 1.134 386 S CB 1.011 63.728 63.200 -0.805 0.000 0.954 386 S HN 0.843 nan 8.310 nan 0.000 0.490 387 G N 3.914 112.402 108.800 -0.521 0.000 2.660 387 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.321 387 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.321 387 G C -1.240 173.459 174.900 -0.335 0.000 1.246 387 G CA 0.637 45.568 45.100 -0.281 0.000 1.000 387 G HN 0.411 nan 8.290 nan 0.000 0.550 388 P HA 0.103 nan 4.420 nan 0.000 0.234 388 P C 1.227 178.137 177.300 -0.650 0.000 1.167 388 P CA 1.272 64.037 63.100 -0.557 0.000 0.763 388 P CB -0.171 31.117 31.700 -0.687 0.000 0.835 389 F N -0.101 119.632 119.950 -0.362 0.000 2.776 389 F HA 0.153 4.679 4.527 -0.002 0.000 0.300 389 F C 0.835 176.488 175.800 -0.244 0.000 1.116 389 F CA -0.470 57.348 58.000 -0.303 0.000 1.375 389 F CB -0.899 37.885 39.000 -0.360 0.000 1.109 389 F HN -0.213 nan 8.300 nan 0.000 0.585 390 D N 0.595 120.921 120.400 -0.123 0.000 2.583 390 D HA 0.234 4.873 4.640 -0.002 0.000 0.232 390 D C 1.499 177.759 176.300 -0.067 0.000 1.128 390 D CA 1.657 55.595 54.000 -0.104 0.000 0.859 390 D CB 0.436 41.166 40.800 -0.116 0.000 1.169 390 D HN 0.419 nan 8.370 nan 0.000 0.481 391 G N 1.922 110.691 108.800 -0.051 0.000 2.199 391 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.254 391 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.254 391 G C 0.592 175.477 174.900 -0.025 0.000 0.982 391 G CA 0.443 45.521 45.100 -0.038 0.000 0.632 391 G HN 0.610 nan 8.290 nan 0.000 0.529 392 T N 1.864 116.409 114.554 -0.015 0.000 2.851 392 T HA 0.420 4.769 4.350 -0.002 0.000 0.298 392 T C 0.406 175.098 174.700 -0.015 0.000 0.977 392 T CA 0.076 62.176 62.100 0.001 0.000 1.126 392 T CB 1.656 70.550 68.868 0.044 0.000 0.916 392 T HN 0.414 nan 8.240 nan 0.000 0.529 393 E N 2.905 123.098 120.200 -0.012 0.000 2.415 393 E HA -0.024 4.325 4.350 -0.002 0.000 0.263 393 E C 1.201 177.784 176.600 -0.029 0.000 0.995 393 E CA 0.025 56.415 56.400 -0.017 0.000 0.915 393 E CB 0.639 30.333 29.700 -0.011 0.000 0.951 393 E HN 0.632 nan 8.360 nan 0.000 0.449 394 S N 4.123 119.801 115.700 -0.037 0.000 2.401 394 S HA -0.246 4.223 4.470 -0.002 0.000 0.236 394 S C 1.437 176.000 174.600 -0.063 0.000 1.058 394 S CA 1.841 60.005 58.200 -0.059 0.000 1.151 394 S CB -0.098 63.068 63.200 -0.056 0.000 1.049 394 S HN 0.620 nan 8.310 nan 0.000 0.432 395 E N 0.599 120.770 120.200 -0.048 0.000 2.058 395 E HA -0.174 4.175 4.350 -0.002 0.000 0.194 395 E C 2.176 178.752 176.600 -0.040 0.000 0.997 395 E CA 1.284 57.656 56.400 -0.046 0.000 0.801 395 E CB -0.626 29.054 29.700 -0.033 0.000 0.746 395 E HN 0.761 nan 8.360 nan 0.000 0.450 396 E N 0.102 120.285 120.200 -0.028 0.000 2.153 396 E HA -0.125 4.224 4.350 -0.002 0.000 0.194 396 E C 2.062 178.648 176.600 -0.025 0.000 0.988 396 E CA 0.998 57.388 56.400 -0.017 0.000 0.811 396 E CB -0.229 29.469 29.700 -0.004 0.000 0.746 396 E HN 0.255 nan 8.360 nan 0.000 0.466 397 G N 1.182 109.953 108.800 -0.048 0.000 2.432 397 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.219 397 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.219 397 G C 1.478 176.286 174.900 -0.153 0.000 1.135 397 G CA 0.766 45.807 45.100 -0.097 0.000 0.767 397 G HN 0.208 nan 8.290 nan 0.000 0.550 398 K N 0.062 120.396 120.400 -0.110 0.000 2.026 398 K HA -0.052 4.267 4.320 -0.002 0.000 0.208 398 K C 2.725 179.282 176.600 -0.072 0.000 1.048 398 K CA 1.035 57.260 56.287 -0.105 0.000 0.929 398 K CB -0.169 32.281 32.500 -0.083 0.000 0.713 398 K HN 0.184 nan 8.250 nan 0.000 0.439 399 R N 1.050 121.527 120.500 -0.039 0.000 2.081 399 R HA -0.085 4.254 4.340 -0.002 0.000 0.235 399 R C 2.250 178.570 176.300 0.032 0.000 1.131 399 R CA 1.319 57.419 56.100 -0.001 0.000 0.960 399 R CB -0.101 30.205 30.300 0.009 0.000 0.856 399 R HN 0.139 nan 8.270 nan 0.000 0.436 400 K N 0.199 120.618 120.400 0.031 0.000 2.057 400 K HA -0.097 4.222 4.320 -0.002 0.000 0.207 400 K C 2.080 178.764 176.600 0.139 0.000 1.049 400 K CA 1.363 57.733 56.287 0.138 0.000 0.931 400 K CB -0.077 32.556 32.500 0.222 0.000 0.714 400 K HN 0.011 nan 8.250 nan 0.000 0.440 401 V N 1.791 121.604 119.914 -0.169 0.000 2.358 401 V HA -0.234 3.885 4.120 -0.002 0.000 0.246 401 V C 2.200 178.387 176.094 0.154 0.000 1.047 401 V CA 1.531 63.739 62.300 -0.154 0.000 1.035 401 V CB -0.374 31.260 31.823 -0.315 0.000 0.658 401 V HN 0.263 nan 8.190 nan 0.000 0.452 402 I N 0.583 121.191 120.570 0.063 0.000 2.127 402 I HA -0.271 3.898 4.170 -0.002 0.000 0.241 402 I C 2.731 178.913 176.117 0.108 0.000 1.075 402 I CA 1.681 63.020 61.300 0.066 0.000 1.334 402 I CB -0.669 37.346 38.000 0.025 0.000 1.040 402 I HN 0.293 nan 8.210 nan 0.000 0.405 403 A N -0.009 122.889 122.820 0.130 0.000 1.948 403 A HA -0.291 4.028 4.320 -0.002 0.000 0.220 403 A C 2.099 179.808 177.584 0.208 0.000 1.177 403 A CA 1.867 53.988 52.037 0.141 0.000 0.636 403 A CB -1.246 17.840 19.000 0.143 0.000 0.815 403 A HN 0.701 nan 8.150 nan 0.000 0.449 404 W N 0.505 121.870 121.300 0.108 0.000 2.381 404 W HA -0.101 4.558 4.660 -0.002 0.000 0.301 404 W C 1.746 178.315 176.519 0.083 0.000 1.205 404 W CA 1.716 59.153 57.345 0.154 0.000 1.285 404 W CB -0.379 29.299 29.460 0.364 0.000 1.133 404 W HN 0.245 nan 8.180 nan 0.000 0.521 405 L N 0.377 121.620 121.223 0.033 0.000 2.093 405 L HA -0.188 4.151 4.340 -0.002 0.000 0.208 405 L C 2.396 179.154 176.870 -0.187 0.000 1.085 405 L CA 1.710 56.422 54.840 -0.214 0.000 0.755 405 L CB -0.833 41.183 42.059 -0.071 0.000 0.904 405 L HN 0.038 nan 8.230 nan 0.000 0.435 406 E N -0.143 120.011 120.200 -0.078 0.000 2.106 406 E HA -0.264 4.085 4.350 -0.002 0.000 0.192 406 E C 2.015 178.564 176.600 -0.085 0.000 0.984 406 E CA 1.090 57.452 56.400 -0.063 0.000 0.806 406 E CB -0.019 29.672 29.700 -0.016 0.000 0.750 406 E HN 0.475 nan 8.360 nan 0.000 0.458 407 E N 1.055 121.203 120.200 -0.088 0.000 2.072 407 E HA -0.175 4.174 4.350 -0.002 0.000 0.191 407 E C 1.474 177.981 176.600 -0.154 0.000 0.985 407 E CA 0.905 57.252 56.400 -0.088 0.000 0.801 407 E CB 0.266 29.942 29.700 -0.040 0.000 0.750 407 E HN -0.049 nan 8.360 nan 0.000 0.452 408 K N -0.430 119.800 120.400 -0.284 0.000 2.487 408 K HA 0.060 4.379 4.320 -0.002 0.000 0.192 408 K C 0.890 177.347 176.600 -0.237 0.000 1.027 408 K CA 0.759 56.859 56.287 -0.312 0.000 1.054 408 K CB 0.377 32.544 32.500 -0.555 0.000 0.824 408 K HN 0.313 nan 8.250 nan 0.000 0.510 409 G N 2.026 110.709 108.800 -0.194 0.000 2.295 409 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.287 409 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.287 409 G C 0.446 175.248 174.900 -0.163 0.000 1.055 409 G CA 0.282 45.296 45.100 -0.143 0.000 0.922 409 G HN 0.351 nan 8.290 nan 0.000 0.503 410 L N -0.918 120.175 121.223 -0.216 0.000 2.731 410 L HA 0.556 4.895 4.340 -0.002 0.000 0.240 410 L C 1.390 178.153 176.870 -0.178 0.000 1.120 410 L CA 0.539 55.242 54.840 -0.227 0.000 0.913 410 L CB 0.539 42.396 42.059 -0.337 0.000 1.213 410 L HN 0.656 nan 8.230 nan 0.000 0.515 411 G N 0.460 109.180 108.800 -0.133 0.000 2.441 411 G HA2 0.409 4.368 3.960 -0.002 0.000 0.294 411 G HA3 0.409 4.368 3.960 -0.002 0.000 0.294 411 G C -1.990 172.883 174.900 -0.045 0.000 1.393 411 G CA -0.633 44.421 45.100 -0.077 0.000 0.796 411 G HN -0.031 nan 8.290 nan 0.000 0.494 412 K N -0.807 119.587 120.400 -0.010 0.000 2.508 412 K HA 0.727 5.046 4.320 -0.002 0.000 0.260 412 K C 0.085 176.703 176.600 0.029 0.000 0.949 412 K CA -0.757 55.532 56.287 0.004 0.000 0.834 412 K CB 2.246 34.748 32.500 0.003 0.000 1.365 412 K HN 1.040 nan 8.250 nan 0.000 0.437 413 G N 1.407 110.223 108.800 0.027 0.000 2.441 413 G HA2 0.262 4.221 3.960 -0.002 0.000 0.243 413 G HA3 0.262 4.221 3.960 -0.002 0.000 0.243 413 G C -0.825 174.108 174.900 0.056 0.000 1.281 413 G CA -0.456 44.667 45.100 0.038 0.000 0.854 413 G HN 0.594 nan 8.290 nan 0.000 0.560 414 R N 1.808 122.372 120.500 0.106 0.000 2.538 414 R HA 0.423 4.762 4.340 -0.002 0.000 0.292 414 R C -1.095 175.255 176.300 0.083 0.000 1.008 414 R CA -0.622 55.539 56.100 0.100 0.000 0.896 414 R CB 1.975 32.373 30.300 0.164 0.000 1.187 414 R HN 0.375 nan 8.270 nan 0.000 0.440 415 V N 3.169 123.057 119.914 -0.043 0.000 2.530 415 V HA 0.319 4.438 4.120 -0.002 0.000 0.282 415 V C 0.500 176.419 176.094 -0.291 0.000 1.048 415 V CA -0.095 62.108 62.300 -0.160 0.000 0.997 415 V CB 1.392 33.090 31.823 -0.209 0.000 0.987 415 V HN 0.802 nan 8.190 nan 0.000 0.477 416 T N 3.857 118.206 114.554 -0.342 0.000 2.916 416 T HA 0.726 5.075 4.350 -0.002 0.000 0.292 416 T C -1.562 172.822 174.700 -0.526 0.000 1.064 416 T CA -0.348 61.548 62.100 -0.340 0.000 1.011 416 T CB 1.210 70.029 68.868 -0.081 0.000 1.152 416 T HN 0.438 nan 8.240 nan 0.000 0.510 417 Y N 1.297 121.580 120.300 -0.028 0.000 2.477 417 Y HA 0.514 5.063 4.550 -0.002 0.000 0.347 417 Y C 1.274 177.149 175.900 -0.042 0.000 0.981 417 Y CA -1.089 56.996 58.100 -0.024 0.000 1.033 417 Y CB 1.783 40.233 38.460 -0.017 0.000 1.245 417 Y HN 0.575 nan 8.280 nan 0.000 0.455 418 R N 1.279 121.827 120.500 0.081 0.000 2.148 418 R HA -0.021 4.318 4.340 -0.002 0.000 0.223 418 R C 0.255 176.515 176.300 -0.067 0.000 1.088 418 R CA 0.273 56.353 56.100 -0.033 0.000 0.985 418 R CB -0.014 30.213 30.300 -0.121 0.000 0.880 418 R HN 0.677 nan 8.270 nan 0.000 0.451 419 L N 2.690 123.899 121.223 -0.023 0.000 2.601 419 L HA -0.036 4.303 4.340 -0.002 0.000 0.277 419 L C -0.218 176.682 176.870 0.049 0.000 1.219 419 L CA 0.793 55.622 54.840 -0.019 0.000 0.915 419 L CB 0.352 42.433 42.059 0.038 0.000 1.160 419 L HN 0.024 nan 8.230 nan 0.000 0.494 420 R N 3.119 123.669 120.500 0.084 0.000 2.700 420 R HA 0.398 4.737 4.340 -0.002 0.000 0.253 420 R C -0.604 175.821 176.300 0.208 0.000 1.091 420 R CA -0.946 55.235 56.100 0.135 0.000 1.104 420 R CB 0.390 30.781 30.300 0.152 0.000 1.202 420 R HN 0.594 nan 8.270 nan 0.000 0.532 421 D N 0.098 120.643 120.400 0.243 0.000 2.357 421 D HA -0.004 4.635 4.640 -0.002 0.000 0.242 421 D C -0.299 176.290 176.300 0.482 0.000 1.153 421 D CA 0.098 54.289 54.000 0.319 0.000 0.918 421 D CB 0.600 41.597 40.800 0.328 0.000 1.181 421 D HN 0.241 nan 8.370 nan 0.000 0.435 422 W N 3.444 124.876 121.300 0.220 0.000 2.416 422 W HA 0.264 4.923 4.660 -0.002 0.000 0.318 422 W C -0.795 175.810 176.519 0.143 0.000 1.150 422 W CA -0.963 56.493 57.345 0.185 0.000 1.392 422 W CB -0.358 29.118 29.460 0.027 0.000 1.311 422 W HN 0.172 nan 8.180 nan 0.000 0.436 423 L N 9.717 131.204 121.223 0.440 0.000 2.407 423 L HA 0.070 4.409 4.340 -0.002 0.000 0.282 423 L C 1.322 178.198 176.870 0.010 0.000 1.110 423 L CA 0.057 54.814 54.840 -0.139 0.000 0.863 423 L CB 0.410 42.402 42.059 -0.112 0.000 1.207 423 L HN 0.661 nan 8.230 nan 0.000 0.454 424 I N 0.437 120.894 120.570 -0.188 0.000 3.941 424 I HA 0.160 4.329 4.170 -0.002 0.000 0.321 424 I C 1.045 177.150 176.117 -0.020 0.000 1.284 424 I CA -0.163 61.059 61.300 -0.129 0.000 1.226 424 I CB 0.508 38.345 38.000 -0.272 0.000 1.045 424 I HN 0.484 nan 8.210 nan 0.000 0.420 425 S N 2.452 118.146 115.700 -0.010 0.000 2.549 425 S HA 0.314 4.783 4.470 -0.002 0.000 0.283 425 S C -0.132 174.489 174.600 0.035 0.000 1.320 425 S CA -0.230 58.001 58.200 0.052 0.000 1.058 425 S CB 0.163 63.442 63.200 0.132 0.000 0.882 425 S HN 0.313 nan 8.310 nan 0.000 0.498 426 R N 3.192 123.704 120.500 0.020 0.000 2.604 426 R HA 0.263 4.602 4.340 -0.002 0.000 0.281 426 R C -1.261 175.049 176.300 0.017 0.000 1.020 426 R CA -0.688 55.425 56.100 0.022 0.000 0.899 426 R CB 1.547 31.849 30.300 0.004 0.000 1.205 426 R HN 0.595 nan 8.270 nan 0.000 0.450 427 Q N 2.366 122.187 119.800 0.035 0.000 3.091 427 Q HA 0.365 4.704 4.340 -0.002 0.000 0.301 427 Q C -0.500 175.524 176.000 0.039 0.000 1.337 427 Q CA 0.067 55.894 55.803 0.041 0.000 1.083 427 Q CB 0.523 29.289 28.738 0.047 0.000 1.477 427 Q HN 0.189 nan 8.270 nan 0.000 0.537 428 R N -0.801 119.713 120.500 0.025 0.000 2.799 428 R HA 0.297 4.636 4.340 -0.002 0.000 0.270 428 R C -0.479 175.856 176.300 0.057 0.000 1.010 428 R CA -0.793 55.335 56.100 0.048 0.000 0.916 428 R CB 0.670 30.987 30.300 0.030 0.000 1.228 428 R HN 0.266 nan 8.270 nan 0.000 0.469 429 Y N 0.601 120.905 120.300 0.006 0.000 2.201 429 Y HA 0.083 4.632 4.550 -0.002 0.000 0.292 429 Y C 0.244 176.186 175.900 0.071 0.000 1.119 429 Y CA 0.853 58.968 58.100 0.025 0.000 1.127 429 Y CB 0.331 38.830 38.460 0.065 0.000 1.019 429 Y HN 0.556 nan 8.280 nan 0.000 0.514 430 W N 3.550 124.686 121.300 -0.273 0.000 1.839 430 W HA 0.387 5.046 4.660 -0.002 0.000 0.489 430 W C -0.343 175.795 176.519 -0.635 0.000 0.789 430 W CA 0.612 57.782 57.345 -0.290 0.000 1.900 430 W CB -0.636 28.869 29.460 0.076 0.000 1.773 430 W HN 0.307 nan 8.180 nan 0.000 0.251 431 G N 1.581 109.502 108.800 -1.465 0.000 2.506 431 G HA2 0.178 4.137 3.960 -0.002 0.000 0.292 431 G HA3 0.178 4.137 3.960 -0.002 0.000 0.292 431 G C -1.209 172.627 174.900 -1.773 0.000 1.425 431 G CA -0.780 43.197 45.100 -1.871 0.000 0.788 431 G HN -0.118 nan 8.290 nan 0.000 0.490 432 T N 2.947 116.751 114.554 -1.250 0.000 2.779 432 T HA 0.448 4.797 4.350 -0.002 0.000 0.296 432 T C -2.378 171.943 174.700 -0.632 0.000 0.938 432 T CA -0.321 61.274 62.100 -0.842 0.000 1.119 432 T CB 1.284 69.892 68.868 -0.434 0.000 0.891 432 T HN 0.189 nan 8.240 nan 0.000 0.526 433 P HA 0.221 nan 4.420 nan 0.000 0.276 433 P C -0.121 176.935 177.300 -0.407 0.000 1.235 433 P CA -0.401 62.495 63.100 -0.341 0.000 0.772 433 P CB 0.311 31.922 31.700 -0.149 0.000 0.871 434 I N 6.290 126.566 120.570 -0.490 0.000 2.505 434 I HA 0.054 4.223 4.170 -0.002 0.000 0.287 434 I C -1.324 174.410 176.117 -0.638 0.000 1.104 434 I CA -1.559 59.247 61.300 -0.824 0.000 1.387 434 I CB 0.456 37.877 38.000 -0.966 0.000 1.404 434 I HN 0.215 nan 8.210 nan 0.000 0.528 435 P HA 0.065 nan 4.420 nan 0.000 0.232 435 P C -0.691 176.355 177.300 -0.424 0.000 1.738 435 P CA 0.312 63.170 63.100 -0.403 0.000 0.948 435 P CB 0.072 31.596 31.700 -0.293 0.000 1.943 436 M N 0.450 119.777 119.600 -0.455 0.000 2.572 436 M HA 0.417 4.896 4.480 -0.002 0.000 0.299 436 M C -0.493 175.571 176.300 -0.394 0.000 1.205 436 M CA -1.183 53.857 55.300 -0.435 0.000 0.876 436 M CB 2.589 34.917 32.600 -0.454 0.000 1.728 436 M HN -0.258 nan 8.290 nan 0.000 0.458 437 V N 1.697 121.395 119.914 -0.359 0.000 2.680 437 V HA 0.421 4.540 4.120 -0.002 0.000 0.309 437 V C -0.611 175.310 176.094 -0.288 0.000 1.052 437 V CA -0.809 61.306 62.300 -0.307 0.000 0.908 437 V CB 2.063 33.784 31.823 -0.170 0.000 1.001 437 V HN 0.694 nan 8.190 nan 0.000 0.431 438 H N 2.159 121.243 119.070 0.023 0.000 2.746 438 H HA 0.353 4.908 4.556 -0.002 0.000 0.269 438 H C 0.019 175.363 175.328 0.027 0.000 1.248 438 H CA -0.451 55.623 56.048 0.043 0.000 1.258 438 H CB 0.836 30.625 29.762 0.044 0.000 1.441 438 H HN 0.668 nan 8.280 nan 0.000 0.508 445 V N 6.068 125.981 119.914 -0.001 0.000 2.628 445 V HA 0.645 4.764 4.120 -0.002 0.000 0.306 445 V C -2.221 173.713 176.094 -0.268 0.000 1.045 445 V CA -2.022 60.235 62.300 -0.072 0.000 0.905 445 V CB 2.865 34.672 31.823 -0.026 0.000 0.997 445 V HN 0.667 nan 8.190 nan 0.000 0.436 446 P HA 0.232 nan 4.420 nan 0.000 0.280 446 P C -0.376 176.768 177.300 -0.260 0.000 1.244 446 P CA -0.086 62.731 63.100 -0.473 0.000 0.784 446 P CB 1.407 32.740 31.700 -0.611 0.000 0.913 447 V N 6.313 126.080 119.914 -0.245 0.000 2.763 447 V HA 0.036 4.155 4.120 -0.002 0.000 0.306 447 V C -1.712 174.310 176.094 -0.120 0.000 1.059 447 V CA -0.905 61.297 62.300 -0.163 0.000 1.138 447 V CB -0.442 31.287 31.823 -0.158 0.000 0.940 447 V HN 0.587 nan 8.190 nan 0.000 0.489 448 P HA 0.037 nan 4.420 nan 0.000 0.267 448 P C 0.828 178.110 177.300 -0.031 0.000 1.200 448 P CA 0.050 63.121 63.100 -0.047 0.000 0.772 448 P CB 0.534 32.216 31.700 -0.030 0.000 0.855 449 E N 2.536 122.732 120.200 -0.007 0.000 2.110 449 E HA -0.242 4.107 4.350 -0.002 0.000 0.193 449 E C 1.256 177.901 176.600 0.074 0.000 0.988 449 E CA 1.075 57.504 56.400 0.049 0.000 0.804 449 E CB 0.116 29.863 29.700 0.078 0.000 0.745 449 E HN 0.453 nan 8.360 nan 0.000 0.458 450 E N 0.324 120.551 120.200 0.045 0.000 2.358 450 E HA -0.139 4.210 4.350 -0.002 0.000 0.195 450 E C 1.194 177.796 176.600 0.003 0.000 1.010 450 E CA 0.626 57.047 56.400 0.034 0.000 0.856 450 E CB -0.099 29.620 29.700 0.030 0.000 0.795 450 E HN 0.417 nan 8.360 nan 0.000 0.504 451 E N 0.604 120.798 120.200 -0.010 0.000 2.478 451 E HA 0.147 4.496 4.350 -0.002 0.000 0.194 451 E C 0.431 177.008 176.600 -0.038 0.000 1.045 451 E CA -0.197 56.188 56.400 -0.025 0.000 0.868 451 E CB 0.244 29.924 29.700 -0.033 0.000 0.885 451 E HN 0.220 nan 8.360 nan 0.000 0.505 452 L N 2.744 123.942 121.223 -0.042 0.000 2.452 452 L HA 0.173 4.512 4.340 -0.002 0.000 0.267 452 L C -1.766 175.028 176.870 -0.127 0.000 1.188 452 L CA -1.569 53.227 54.840 -0.074 0.000 0.821 452 L CB -0.049 41.973 42.059 -0.062 0.000 1.102 452 L HN -0.051 nan 8.230 nan 0.000 0.470 453 P HA 0.156 nan 4.420 nan 0.000 0.281 453 P C -0.948 176.348 177.300 -0.007 0.000 1.264 453 P CA -0.454 62.581 63.100 -0.108 0.000 0.824 453 P CB 1.588 33.157 31.700 -0.218 0.000 1.092 454 V N 2.991 122.939 119.914 0.058 0.000 2.322 454 V HA 0.110 4.229 4.120 -0.002 0.000 0.258 454 V C 0.845 177.067 176.094 0.214 0.000 1.074 454 V CA -0.307 62.055 62.300 0.102 0.000 0.909 454 V CB -0.379 31.476 31.823 0.052 0.000 1.090 454 V HN 0.360 nan 8.190 nan 0.000 0.486 455 L N 4.865 126.209 121.223 0.203 0.000 2.467 455 L HA 0.277 4.616 4.340 -0.002 0.000 0.270 455 L C 0.323 177.283 176.870 0.150 0.000 1.205 455 L CA -0.134 54.847 54.840 0.235 0.000 0.828 455 L CB 0.355 42.507 42.059 0.154 0.000 1.101 455 L HN 0.382 nan 8.230 nan 0.000 0.479 456 L N 2.470 123.744 121.223 0.085 0.000 2.436 456 L HA 0.255 4.594 4.340 -0.002 0.000 0.265 456 L C -1.869 174.965 176.870 -0.059 0.000 1.168 456 L CA -1.588 53.183 54.840 -0.115 0.000 0.815 456 L CB 0.617 42.587 42.059 -0.149 0.000 1.109 456 L HN 0.381 nan 8.230 nan 0.000 0.462 457 P HA -0.023 nan 4.420 nan 0.000 0.268 457 P C -1.319 175.935 177.300 -0.077 0.000 1.208 457 P CA -0.033 62.906 63.100 -0.268 0.000 0.777 457 P CB 0.374 31.673 31.700 -0.668 0.000 0.875 458 D N 3.202 123.542 120.400 -0.101 0.000 2.524 458 D HA 0.145 4.784 4.640 -0.002 0.000 0.222 458 D C 0.557 176.834 176.300 -0.037 0.000 1.142 458 D CA -0.182 53.826 54.000 0.013 0.000 0.973 458 D CB 0.098 40.918 40.800 0.033 0.000 1.025 458 D HN 0.108 nan 8.370 nan 0.000 0.519 459 L N 1.053 122.243 121.223 -0.055 0.000 2.436 459 L HA -0.172 4.167 4.340 -0.002 0.000 0.301 459 L C 1.793 178.664 176.870 0.002 0.000 1.342 459 L CA 1.110 55.909 54.840 -0.068 0.000 0.821 459 L CB -0.038 41.916 42.059 -0.176 0.000 1.034 459 L HN 0.270 nan 8.230 nan 0.000 0.621 460 K N -1.648 118.752 120.400 0.000 0.000 2.611 460 K HA 0.173 4.492 4.320 -0.002 0.000 0.209 460 K C -0.691 175.902 176.600 -0.012 0.000 1.658 460 K CA -0.131 56.162 56.287 0.010 0.000 1.080 460 K CB 0.815 33.329 32.500 0.023 0.000 1.430 460 K HN 0.678 nan 8.250 nan 0.000 0.596 461 D N -0.378 119.996 120.400 -0.043 0.000 2.645 461 D HA 0.228 4.867 4.640 -0.002 0.000 0.228 461 D C 0.629 176.856 176.300 -0.122 0.000 1.148 461 D CA -0.479 53.482 54.000 -0.066 0.000 0.860 461 D CB 2.522 43.285 40.800 -0.061 0.000 1.548 461 D HN -0.240 nan 8.370 nan 0.000 0.460 462 V N 2.160 122.003 119.914 -0.117 0.000 2.725 462 V HA 0.002 4.121 4.120 -0.002 0.000 0.247 462 V C 1.810 177.812 176.094 -0.152 0.000 1.058 462 V CA 1.103 63.308 62.300 -0.158 0.000 1.080 462 V CB -0.392 31.361 31.823 -0.118 0.000 0.713 462 V HN 0.593 nan 8.190 nan 0.000 0.465 463 E N 0.062 120.192 120.200 -0.116 0.000 2.347 463 E HA -0.199 4.150 4.350 -0.002 0.000 0.196 463 E C 1.588 178.119 176.600 -0.115 0.000 1.008 463 E CA 0.684 57.022 56.400 -0.104 0.000 0.852 463 E CB -0.124 29.528 29.700 -0.080 0.000 0.783 463 E HN 0.443 nan 8.360 nan 0.000 0.505 464 D N 1.011 121.329 120.400 -0.136 0.000 2.354 464 D HA -0.096 4.543 4.640 -0.002 0.000 0.216 464 D C 0.793 176.984 176.300 -0.182 0.000 0.970 464 D CA 0.516 54.422 54.000 -0.156 0.000 0.905 464 D CB 0.063 40.774 40.800 -0.148 0.000 0.903 464 D HN 0.301 nan 8.370 nan 0.000 0.508 472 P HA 0.006 nan 4.420 nan 0.000 0.215 472 P C 1.365 178.733 177.300 0.114 0.000 1.153 472 P CA 0.984 64.118 63.100 0.056 0.000 0.853 472 P CB 0.069 31.838 31.700 0.114 0.000 0.788 473 L N -0.812 120.531 121.223 0.199 0.000 2.362 473 L HA -0.105 4.235 4.340 -0.002 0.000 0.219 473 L C 2.263 179.388 176.870 0.425 0.000 1.134 473 L CA 0.997 56.027 54.840 0.317 0.000 0.807 473 L CB -0.668 41.581 42.059 0.317 0.000 0.927 473 L HN -0.007 nan 8.230 nan 0.000 0.447 474 E N 0.644 120.993 120.200 0.248 0.000 2.152 474 E HA -0.088 4.261 4.350 -0.002 0.000 0.192 474 E C 1.970 178.732 176.600 0.270 0.000 0.983 474 E CA 1.069 57.593 56.400 0.207 0.000 0.818 474 E CB 0.039 29.771 29.700 0.052 0.000 0.758 474 E HN 0.394 nan 8.360 nan 0.000 0.467 475 A N 1.123 123.989 122.820 0.077 0.000 2.265 475 A HA -0.050 4.269 4.320 -0.002 0.000 0.213 475 A C 0.073 177.549 177.584 -0.179 0.000 1.255 475 A CA 0.181 52.177 52.037 -0.067 0.000 0.862 475 A CB -0.331 18.539 19.000 -0.216 0.000 0.852 475 A HN 0.080 nan 8.150 nan 0.000 0.484 476 H N -0.791 118.424 119.070 0.241 0.000 2.541 476 H HA 0.219 4.774 4.556 -0.002 0.000 0.246 476 H C -2.252 173.007 175.328 -0.114 0.000 1.341 476 H CA -1.986 54.131 56.048 0.116 0.000 1.469 476 H CB 0.868 30.712 29.762 0.136 0.000 1.472 476 H HN 0.158 nan 8.280 nan 0.000 0.503 477 P HA -0.199 nan 4.420 nan 0.000 0.216 477 P C 1.626 178.609 177.300 -0.529 0.000 1.153 477 P CA 1.297 64.002 63.100 -0.659 0.000 0.858 477 P CB 0.426 32.024 31.700 -0.170 0.000 0.789 478 E N -1.070 119.028 120.200 -0.170 0.000 2.510 478 E HA -0.169 4.180 4.350 -0.002 0.000 0.202 478 E C 1.397 177.982 176.600 -0.026 0.000 1.072 478 E CA 0.781 57.130 56.400 -0.084 0.000 0.883 478 E CB -0.951 28.744 29.700 -0.009 0.000 0.818 478 E HN 0.290 nan 8.360 nan 0.000 0.548 479 F N 1.927 121.746 119.950 -0.218 0.000 2.389 479 F HA 0.038 4.564 4.527 -0.002 0.000 0.275 479 F C 2.130 177.891 175.800 -0.064 0.000 1.009 479 F CA 0.522 58.463 58.000 -0.098 0.000 1.187 479 F CB -0.786 38.224 39.000 0.018 0.000 1.139 479 F HN -0.040 nan 8.300 nan 0.000 0.613 480 Y N 0.510 120.641 120.300 -0.283 0.000 2.421 480 Y HA 0.188 4.737 4.550 -0.002 0.000 0.292 480 Y C 0.572 176.354 175.900 -0.196 0.000 1.136 480 Y CA 0.019 57.887 58.100 -0.385 0.000 1.255 480 Y CB -1.965 36.432 38.460 -0.106 0.000 0.991 480 Y HN 0.092 nan 8.280 nan 0.000 0.552 481 E N 1.892 121.963 120.200 -0.214 0.000 2.238 481 E HA 0.180 4.529 4.350 -0.002 0.000 0.264 481 E C -0.293 176.265 176.600 -0.071 0.000 1.136 481 E CA 0.282 56.650 56.400 -0.053 0.000 0.929 481 E CB 0.377 30.000 29.700 -0.128 0.000 1.010 481 E HN 0.357 nan 8.360 nan 0.000 0.440 482 T N 1.333 115.867 114.554 -0.034 0.000 2.816 482 T HA 0.327 4.676 4.350 -0.002 0.000 0.299 482 T C -0.798 173.888 174.700 -0.024 0.000 1.230 482 T CA -0.760 61.310 62.100 -0.050 0.000 1.007 482 T CB 1.570 70.382 68.868 -0.093 0.000 1.289 482 T HN 0.383 nan 8.240 nan 0.000 0.508 483 T N 0.012 114.551 114.554 -0.026 0.000 2.882 483 T HA 0.432 4.781 4.350 -0.002 0.000 0.287 483 T C 0.652 175.340 174.700 -0.019 0.000 0.992 483 T CA -0.700 61.392 62.100 -0.014 0.000 1.076 483 T CB 0.328 69.189 68.868 -0.011 0.000 0.961 483 T HN 0.826 nan 8.240 nan 0.000 0.490 484 c N 6.569 125.164 118.600 -0.008 0.000 2.634 484 c HA 0.381 4.950 4.570 -0.002 0.000 0.418 484 c C -0.833 173.249 174.090 -0.013 0.000 1.373 484 c CA -1.125 55.199 56.329 -0.009 0.000 1.756 484 c CB -0.781 41.734 42.510 0.007 0.000 2.589 484 c HN 0.911 nan 8.230 nan 0.000 0.602 493 R N 1.852 122.322 120.500 -0.050 0.000 2.594 493 R HA 0.048 4.387 4.340 -0.002 0.000 0.272 493 R C -0.380 175.892 176.300 -0.046 0.000 1.074 493 R CA -0.341 55.649 56.100 -0.184 0.000 1.105 493 R CB 0.451 30.450 30.300 -0.501 0.000 1.008 493 R HN 0.580 nan 8.270 nan 0.000 0.472 494 D N 0.256 120.601 120.400 -0.092 0.000 2.443 494 D HA -0.045 4.594 4.640 -0.002 0.000 0.239 494 D C 0.504 176.906 176.300 0.170 0.000 1.136 494 D CA 0.357 54.421 54.000 0.107 0.000 0.879 494 D CB 0.842 41.654 40.800 0.019 0.000 1.195 494 D HN 0.541 nan 8.370 nan 0.000 0.443 495 T N -0.351 114.338 114.554 0.224 0.000 3.243 495 T HA 0.249 4.598 4.350 -0.002 0.000 0.264 495 T C -0.322 174.474 174.700 0.161 0.000 1.000 495 T CA -0.720 61.525 62.100 0.242 0.000 0.901 495 T CB 0.019 69.003 68.868 0.195 0.000 1.083 495 T HN 0.185 nan 8.240 nan 0.000 0.559 496 D N 2.196 122.663 120.400 0.111 0.000 2.340 496 D HA 0.494 5.133 4.640 -0.002 0.000 0.240 496 D C 0.001 176.244 176.300 -0.094 0.000 1.001 496 D CA -0.215 53.809 54.000 0.039 0.000 0.888 496 D CB 2.296 43.160 40.800 0.106 0.000 1.310 496 D HN 0.438 nan 8.370 nan 0.000 0.474 497 T N -2.146 112.322 114.554 -0.145 0.000 2.940 497 T HA 0.658 5.007 4.350 -0.002 0.000 0.288 497 T C 0.417 174.956 174.700 -0.269 0.000 1.033 497 T CA -0.923 61.004 62.100 -0.288 0.000 1.033 497 T CB 1.177 69.826 68.868 -0.366 0.000 1.079 497 T HN 0.183 nan 8.240 nan 0.000 0.496 498 M N 2.249 121.633 119.600 -0.360 0.000 2.235 498 M HA 0.258 4.737 4.480 -0.002 0.000 0.351 498 M C 0.186 176.429 176.300 -0.094 0.000 1.178 498 M CA -0.652 54.490 55.300 -0.263 0.000 1.143 498 M CB 0.478 32.816 32.600 -0.437 0.000 1.530 498 M HN 0.736 nan 8.290 nan 0.000 0.461 499 D N 1.956 122.400 120.400 0.073 0.000 2.533 499 D HA -0.057 4.582 4.640 -0.002 0.000 0.236 499 D C 1.163 177.648 176.300 0.309 0.000 1.137 499 D CA 0.300 54.445 54.000 0.242 0.000 0.867 499 D CB 0.970 42.054 40.800 0.474 0.000 1.170 499 D HN 0.769 nan 8.370 nan 0.000 0.474 500 T N 1.516 116.192 114.554 0.202 0.000 2.946 500 T HA -0.185 4.164 4.350 -0.002 0.000 0.271 500 T C 1.837 176.743 174.700 0.343 0.000 1.104 500 T CA 0.582 62.806 62.100 0.207 0.000 1.114 500 T CB -0.468 68.451 68.868 0.085 0.000 0.867 500 T HN 0.348 nan 8.240 nan 0.000 0.513 501 F N 0.393 120.648 119.950 0.509 0.000 2.365 501 F HA 0.184 4.710 4.527 -0.002 0.000 0.300 501 F C 1.806 178.029 175.800 0.706 0.000 1.090 501 F CA -0.432 57.940 58.000 0.621 0.000 1.408 501 F CB -0.722 38.720 39.000 0.736 0.000 1.060 501 F HN 0.175 nan 8.300 nan 0.000 0.534 502 F N 1.443 121.800 119.950 0.679 0.000 2.113 502 F HA -0.205 4.321 4.527 -0.002 0.000 0.297 502 F C 2.093 178.181 175.800 0.479 0.000 1.103 502 F CA 1.714 59.993 58.000 0.465 0.000 1.248 502 F CB -0.621 38.551 39.000 0.286 0.000 0.999 502 F HN -0.102 nan 8.300 nan 0.000 0.475 503 D N -0.249 120.650 120.400 0.831 0.000 2.104 503 D HA -0.188 4.451 4.640 -0.002 0.000 0.194 503 D C 2.357 178.986 176.300 0.549 0.000 0.994 503 D CA 1.874 56.333 54.000 0.765 0.000 0.830 503 D CB -1.006 40.122 40.800 0.547 0.000 0.959 503 D HN 0.403 nan 8.370 nan 0.000 0.452 504 S N -0.620 115.389 115.700 0.516 0.000 2.603 504 S HA 0.081 4.550 4.470 -0.002 0.000 0.220 504 S C 1.640 176.657 174.600 0.694 0.000 0.967 504 S CA 0.003 58.528 58.200 0.542 0.000 0.920 504 S CB 0.087 63.580 63.200 0.489 0.000 0.773 504 S HN -0.038 nan 8.310 nan 0.000 0.529 505 S N 1.185 117.136 115.700 0.417 0.000 2.562 505 S HA 0.111 4.580 4.470 -0.002 0.000 0.221 505 S C 0.884 175.599 174.600 0.192 0.000 0.975 505 S CA 0.399 58.699 58.200 0.168 0.000 0.918 505 S CB -0.363 62.379 63.200 -0.764 0.000 0.772 505 S HN 1.008 nan 8.310 nan 0.000 0.531 506 W N -0.254 120.985 121.300 -0.102 0.000 1.526 506 W HA 0.193 4.852 4.660 -0.002 0.000 0.218 506 W C 0.640 176.782 176.519 -0.628 0.000 0.797 506 W CA -0.334 56.683 57.345 -0.546 0.000 0.997 506 W CB -1.067 28.386 29.460 -0.011 0.000 0.926 506 W HN 0.330 nan 8.180 nan 0.000 0.483 507 Y N 2.027 121.745 120.300 -0.970 0.000 2.241 507 Y HA -0.262 4.287 4.550 -0.002 0.000 0.286 507 Y C 2.375 177.708 175.900 -0.945 0.000 1.166 507 Y CA 1.750 59.228 58.100 -1.037 0.000 1.203 507 Y CB -1.845 36.017 38.460 -0.998 0.000 0.977 507 Y HN 0.039 nan 8.280 nan 0.000 0.529 508 Y N -0.770 118.857 120.300 -1.122 0.000 2.403 508 Y HA 0.010 4.560 4.550 -0.002 0.000 0.291 508 Y C 1.755 177.516 175.900 -0.232 0.000 1.143 508 Y CA 0.756 58.462 58.100 -0.657 0.000 1.257 508 Y CB -1.130 36.979 38.460 -0.585 0.000 0.984 508 Y HN 0.227 nan 8.280 nan 0.000 0.550 509 L N -0.314 120.553 121.223 -0.593 0.000 2.202 509 L HA 0.041 4.380 4.340 -0.002 0.000 0.205 509 L C 2.693 179.362 176.870 -0.334 0.000 1.083 509 L CA 0.715 55.283 54.840 -0.453 0.000 0.790 509 L CB -0.304 41.343 42.059 -0.686 0.000 0.942 509 L HN 0.067 nan 8.230 nan 0.000 0.452 510 R N -0.163 120.140 120.500 -0.328 0.000 2.096 510 R HA -0.206 4.133 4.340 -0.002 0.000 0.235 510 R C 2.079 178.293 176.300 -0.144 0.000 1.127 510 R CA 1.695 57.683 56.100 -0.187 0.000 0.968 510 R CB -0.726 29.335 30.300 -0.398 0.000 0.861 510 R HN 0.200 nan 8.270 nan 0.000 0.440 511 Y N 0.357 120.525 120.300 -0.220 0.000 2.298 511 Y HA -0.199 4.350 4.550 -0.001 0.000 0.287 511 Y C 2.359 178.075 175.900 -0.306 0.000 1.164 511 Y CA 1.773 59.715 58.100 -0.262 0.000 1.229 511 Y CB -1.034 37.254 38.460 -0.286 0.000 0.977 511 Y HN 0.336 nan 8.280 nan 0.000 0.538 512 T N -3.448 111.049 114.554 -0.094 0.000 3.085 512 T HA -0.029 4.320 4.350 -0.002 0.000 0.263 512 T C 0.435 175.134 174.700 -0.002 0.000 1.127 512 T CA 1.215 63.259 62.100 -0.094 0.000 1.103 512 T CB -0.015 68.857 68.868 0.007 0.000 0.921 512 T HN 0.154 nan 8.240 nan 0.000 0.510 513 D N 0.907 121.302 120.400 -0.009 0.000 3.449 513 D HA 0.218 4.857 4.640 -0.002 0.000 0.262 513 D C -2.075 174.212 176.300 -0.021 0.000 1.343 513 D CA -1.325 52.682 54.000 0.011 0.000 0.787 513 D CB 0.991 41.837 40.800 0.075 0.000 1.412 513 D HN 0.020 nan 8.370 nan 0.000 0.652 514 P HA -0.128 nan 4.420 nan 0.000 0.223 514 P C 0.452 177.689 177.300 -0.105 0.000 1.144 514 P CA 1.093 64.099 63.100 -0.156 0.000 0.783 514 P CB 0.040 31.559 31.700 -0.302 0.000 0.771 515 H N -2.247 116.887 119.070 0.108 0.000 2.592 515 H HA 0.178 4.733 4.556 -0.002 0.000 0.279 515 H C 0.741 176.135 175.328 0.111 0.000 1.089 515 H CA -0.694 55.423 56.048 0.115 0.000 1.150 515 H CB 0.022 29.836 29.762 0.087 0.000 1.575 515 H HN 0.033 nan 8.280 nan 0.000 0.547 516 N N 2.430 121.225 118.700 0.157 0.000 2.452 516 N HA -0.069 4.670 4.740 -0.002 0.000 0.266 516 N C 0.044 175.671 175.510 0.195 0.000 1.175 516 N CA 0.258 53.352 53.050 0.073 0.000 0.945 516 N CB 0.749 39.174 38.487 -0.103 0.000 1.063 516 N HN 0.479 nan 8.380 nan 0.000 0.472 517 D N 2.778 123.322 120.400 0.241 0.000 2.402 517 D HA 0.087 4.726 4.640 -0.002 0.000 0.216 517 D C 0.728 177.300 176.300 0.453 0.000 1.128 517 D CA 0.077 54.334 54.000 0.429 0.000 0.833 517 D CB 0.300 41.233 40.800 0.222 0.000 0.971 517 D HN 0.465 nan 8.370 nan 0.000 0.503 518 R N -0.516 120.108 120.500 0.208 0.000 2.287 518 R HA 0.421 4.760 4.340 -0.002 0.000 0.197 518 R C 0.334 176.512 176.300 -0.202 0.000 0.900 518 R CA 0.195 56.358 56.100 0.105 0.000 1.052 518 R CB 1.151 31.454 30.300 0.005 0.000 1.117 518 R HN 0.053 nan 8.270 nan 0.000 0.568 519 L N -0.822 119.933 121.223 -0.780 0.000 2.479 519 L HA 0.358 4.697 4.340 -0.002 0.000 0.255 519 L C -2.193 173.428 176.870 -2.082 0.000 1.026 519 L CA -2.215 51.762 54.840 -1.437 0.000 0.842 519 L CB 2.756 44.280 42.059 -0.892 0.000 1.444 519 L HN -0.309 nan 8.230 nan 0.000 0.409 520 P HA -0.085 nan 4.420 nan 0.000 0.219 520 P C -0.926 176.041 177.300 -0.556 0.000 1.146 520 P CA 1.341 63.556 63.100 -1.475 0.000 0.808 520 P CB 0.130 31.163 31.700 -1.112 0.000 0.779 521 F N -4.967 114.621 119.950 -0.604 0.000 2.765 521 F HA 0.382 4.908 4.527 -0.002 0.000 0.313 521 F C -1.790 173.857 175.800 -0.254 0.000 1.136 521 F CA -1.824 55.993 58.000 -0.306 0.000 0.952 521 F CB 0.183 39.110 39.000 -0.122 0.000 1.268 521 F HN -0.423 nan 8.300 nan 0.000 0.441 522 D N 3.420 123.840 120.400 0.033 0.000 2.325 522 D HA 0.432 5.071 4.640 -0.002 0.000 0.251 522 D C -1.850 174.540 176.300 0.151 0.000 1.196 522 D CA -2.333 51.663 54.000 -0.008 0.000 0.866 522 D CB 1.705 42.507 40.800 0.002 0.000 1.101 522 D HN 0.260 nan 8.370 nan 0.000 0.476 523 P HA -0.223 nan 4.420 nan 0.000 0.218 523 P C 1.046 178.420 177.300 0.124 0.000 1.154 523 P CA 1.285 64.482 63.100 0.161 0.000 0.872 523 P CB 0.223 31.947 31.700 0.041 0.000 0.790 524 E N -0.054 120.185 120.200 0.065 0.000 2.051 524 E HA -0.235 4.114 4.350 -0.002 0.000 0.192 524 E C 1.798 178.428 176.600 0.049 0.000 0.991 524 E CA 1.354 57.777 56.400 0.039 0.000 0.799 524 E CB -0.163 29.545 29.700 0.014 0.000 0.748 524 E HN 0.163 nan 8.360 nan 0.000 0.449 525 K N 0.032 120.482 120.400 0.085 0.000 2.025 525 K HA -0.086 4.233 4.320 -0.002 0.000 0.207 525 K C 2.222 178.913 176.600 0.152 0.000 1.049 525 K CA 1.003 57.358 56.287 0.114 0.000 0.933 525 K CB -0.162 32.421 32.500 0.138 0.000 0.714 525 K HN 0.137 nan 8.250 nan 0.000 0.438 526 A N 2.199 125.112 122.820 0.155 0.000 1.883 526 A HA -0.206 4.113 4.320 -0.002 0.000 0.217 526 A C 1.796 179.445 177.584 0.108 0.000 1.186 526 A CA 1.755 53.844 52.037 0.088 0.000 0.624 526 A CB -0.569 18.412 19.000 -0.031 0.000 0.822 526 A HN 0.255 nan 8.150 nan 0.000 0.444 527 N N 0.266 119.024 118.700 0.096 0.000 2.289 527 N HA -0.070 4.669 4.740 -0.002 0.000 0.184 527 N C 1.739 177.262 175.510 0.022 0.000 1.016 527 N CA 1.314 54.404 53.050 0.067 0.000 0.872 527 N CB -0.429 38.091 38.487 0.054 0.000 0.973 527 N HN 0.514 nan 8.380 nan 0.000 0.433 528 A N -0.621 122.185 122.820 -0.023 0.000 1.929 528 A HA -0.033 4.286 4.320 -0.002 0.000 0.216 528 A C 1.915 179.347 177.584 -0.253 0.000 1.176 528 A CA 0.620 52.552 52.037 -0.175 0.000 0.628 528 A CB -0.678 18.159 19.000 -0.272 0.000 0.816 528 A HN 0.361 nan 8.150 nan 0.000 0.444 529 W N -0.924 120.369 121.300 -0.013 0.000 2.704 529 W HA 0.247 4.906 4.660 -0.002 0.000 0.266 529 W C 0.840 177.430 176.519 0.118 0.000 1.266 529 W CA -0.456 56.876 57.345 -0.022 0.000 1.377 529 W CB 0.155 29.510 29.460 -0.175 0.000 1.082 529 W HN 0.039 nan 8.180 nan 0.000 0.608 530 M N 2.126 121.924 119.600 0.330 0.000 2.226 530 M HA 0.160 4.639 4.480 -0.002 0.000 0.324 530 M C -1.778 174.621 176.300 0.165 0.000 1.112 530 M CA -1.746 53.714 55.300 0.267 0.000 1.176 530 M CB -0.613 32.084 32.600 0.162 0.000 1.430 530 M HN -0.259 nan 8.290 nan 0.000 0.462 531 P HA 0.286 nan 4.420 nan 0.000 0.281 531 P C -0.792 176.561 177.300 0.088 0.000 1.281 531 P CA -0.574 62.572 63.100 0.075 0.000 0.811 531 P CB 0.706 32.412 31.700 0.011 0.000 1.154 532 V N 1.966 121.829 119.914 -0.085 0.000 2.485 532 V HA -0.061 4.058 4.120 -0.002 0.000 0.287 532 V C 1.200 177.262 176.094 -0.052 0.000 1.022 532 V CA 0.886 63.013 62.300 -0.289 0.000 1.067 532 V CB -0.564 30.992 31.823 -0.446 0.000 0.967 532 V HN 0.509 nan 8.190 nan 0.000 0.479 533 D N 2.294 122.697 120.400 0.004 0.000 2.149 533 D HA -0.035 4.604 4.640 -0.002 0.000 0.201 533 D C 0.520 176.830 176.300 0.017 0.000 0.972 533 D CA 1.148 55.164 54.000 0.026 0.000 0.835 533 D CB 0.153 40.965 40.800 0.021 0.000 0.966 533 D HN 0.465 nan 8.370 nan 0.000 0.476 534 Q N -0.354 119.454 119.800 0.013 0.000 2.269 534 Q HA 0.205 4.544 4.340 -0.002 0.000 0.263 534 Q C -1.651 174.390 176.000 0.068 0.000 0.983 534 Q CA -0.639 55.191 55.803 0.047 0.000 0.777 534 Q CB 1.553 30.341 28.738 0.083 0.000 1.273 534 Q HN 0.171 nan 8.270 nan 0.000 0.440 535 Y N 3.503 123.696 120.300 -0.179 0.000 2.335 535 Y HA 0.506 5.055 4.550 -0.002 0.000 0.339 535 Y C -0.614 175.144 175.900 -0.236 0.000 0.987 535 Y CA -1.189 56.713 58.100 -0.331 0.000 1.140 535 Y CB 0.657 38.688 38.460 -0.716 0.000 1.173 535 Y HN 0.554 nan 8.280 nan 0.000 0.486 536 I N 5.694 126.114 120.570 -0.251 0.000 2.377 536 I HA 0.748 4.917 4.170 -0.002 0.000 0.293 536 I C 0.431 176.229 176.117 -0.532 0.000 0.987 536 I CA -0.321 60.761 61.300 -0.365 0.000 1.185 536 I CB 1.462 39.287 38.000 -0.291 0.000 1.341 536 I HN 0.778 nan 8.210 nan 0.000 0.455 537 G N 3.264 111.766 108.800 -0.498 0.000 2.336 537 G HA2 0.385 4.344 3.960 -0.002 0.000 0.300 537 G HA3 0.385 4.344 3.960 -0.002 0.000 0.300 537 G C -0.971 173.720 174.900 -0.349 0.000 1.375 537 G CA -0.521 44.316 45.100 -0.439 0.000 0.885 537 G HN 0.818 nan 8.290 nan 0.000 0.599 538 G N -1.212 107.432 108.800 -0.260 0.000 2.390 538 G HA2 0.600 4.559 3.960 -0.002 0.000 0.270 538 G HA3 0.600 4.559 3.960 -0.002 0.000 0.270 538 G C 1.162 175.952 174.900 -0.184 0.000 1.211 538 G CA 0.552 45.536 45.100 -0.192 0.000 0.842 538 G HN 1.753 nan 8.290 nan 0.000 0.519 539 V N -0.695 119.106 119.914 -0.188 0.000 3.379 539 V HA 0.143 4.263 4.120 -0.002 0.000 0.249 539 V C 1.871 177.858 176.094 -0.177 0.000 1.184 539 V CA 0.621 62.813 62.300 -0.180 0.000 1.106 539 V CB 0.045 31.744 31.823 -0.207 0.000 0.826 539 V HN 0.522 nan 8.190 nan 0.000 0.465 540 E N 1.343 121.406 120.200 -0.230 0.000 2.236 540 E HA -0.231 4.118 4.350 -0.002 0.000 0.205 540 E C 0.957 177.210 176.600 -0.577 0.000 1.028 540 E CA 1.890 58.049 56.400 -0.402 0.000 0.827 540 E CB -0.316 29.087 29.700 -0.494 0.000 0.735 540 E HN 0.800 nan 8.360 nan 0.000 0.470 541 H N -2.225 116.815 119.070 -0.050 0.000 2.587 541 H HA 0.482 5.037 4.556 -0.002 0.000 0.245 541 H C -0.058 175.249 175.328 -0.035 0.000 1.238 541 H CA 0.256 56.281 56.048 -0.039 0.000 0.963 541 H CB 0.671 30.431 29.762 -0.004 0.000 1.904 541 H HN 0.041 nan 8.280 nan 0.000 0.584 542 A N 0.448 123.263 122.820 -0.010 0.000 2.610 542 A HA 0.281 4.600 4.320 -0.002 0.000 0.291 542 A C 1.670 179.195 177.584 -0.098 0.000 1.116 542 A CA -0.102 51.943 52.037 0.013 0.000 0.963 542 A CB 0.024 19.049 19.000 0.042 0.000 1.220 542 A HN 0.135 nan 8.150 nan 0.000 0.530 543 V N 0.271 120.056 119.914 -0.215 0.000 2.287 543 V HA -0.304 3.815 4.120 -0.002 0.000 0.248 543 V C 2.507 178.282 176.094 -0.532 0.000 1.053 543 V CA 2.511 64.611 62.300 -0.334 0.000 1.027 543 V CB -0.794 30.753 31.823 -0.460 0.000 0.646 543 V HN 0.694 nan 8.190 nan 0.000 0.447 544 L N -0.690 120.071 121.223 -0.769 0.000 2.005 544 L HA -0.198 4.141 4.340 -0.002 0.000 0.207 544 L C 2.671 178.903 176.870 -1.062 0.000 1.072 544 L CA 2.176 56.275 54.840 -1.236 0.000 0.744 544 L CB -1.020 40.147 42.059 -1.487 0.000 0.895 544 L HN 0.432 nan 8.230 nan 0.000 0.433 545 H N 0.627 119.332 119.070 -0.607 0.000 2.357 545 H HA -0.209 4.346 4.556 -0.002 0.000 0.296 545 H C 2.091 177.466 175.328 0.079 0.000 1.108 545 H CA 1.925 57.929 56.048 -0.074 0.000 1.273 545 H CB -0.258 29.647 29.762 0.239 0.000 1.367 545 H HN 0.170 nan 8.280 nan 0.000 0.498 546 L N -0.878 120.250 121.223 -0.159 0.000 2.056 546 L HA -0.116 4.223 4.340 -0.002 0.000 0.207 546 L C 2.556 179.459 176.870 0.055 0.000 1.078 546 L CA 0.954 55.800 54.840 0.010 0.000 0.749 546 L CB -0.406 41.723 42.059 0.117 0.000 0.901 546 L HN 0.282 nan 8.230 nan 0.000 0.433 547 L N -1.193 119.969 121.223 -0.102 0.000 2.027 547 L HA -0.225 4.114 4.340 -0.002 0.000 0.206 547 L C 2.533 179.473 176.870 0.115 0.000 1.074 547 L CA 1.770 56.580 54.840 -0.050 0.000 0.745 547 L CB -0.566 41.356 42.059 -0.229 0.000 0.898 547 L HN 0.075 nan 8.230 nan 0.000 0.433 548 Y N -0.412 119.848 120.300 -0.068 0.000 2.165 548 Y HA -0.197 4.352 4.550 -0.002 0.000 0.286 548 Y C 2.860 178.922 175.900 0.269 0.000 1.155 548 Y CA 1.105 59.232 58.100 0.045 0.000 1.164 548 Y CB -1.444 36.813 38.460 -0.339 0.000 0.978 548 Y HN 0.216 nan 8.280 nan 0.000 0.513 549 S N -0.143 115.741 115.700 0.307 0.000 2.368 549 S HA -0.176 4.293 4.470 -0.002 0.000 0.225 549 S C 2.072 176.805 174.600 0.222 0.000 1.030 549 S CA 1.240 59.610 58.200 0.283 0.000 0.999 549 S CB -0.238 63.068 63.200 0.175 0.000 0.844 549 S HN 0.433 nan 8.310 nan 0.000 0.459 550 R N 0.046 120.633 120.500 0.145 0.000 2.096 550 R HA -0.069 4.270 4.340 -0.002 0.000 0.235 550 R C 2.102 178.532 176.300 0.216 0.000 1.127 550 R CA 1.431 57.586 56.100 0.093 0.000 0.968 550 R CB -0.478 29.869 30.300 0.078 0.000 0.861 550 R HN 0.420 nan 8.270 nan 0.000 0.440 551 F N 1.048 121.091 119.950 0.155 0.000 2.075 551 F HA -0.182 4.344 4.527 -0.002 0.000 0.297 551 F C 1.780 177.659 175.800 0.132 0.000 1.113 551 F CA 1.185 59.242 58.000 0.095 0.000 1.218 551 F CB -0.652 38.482 39.000 0.224 0.000 0.984 551 F HN -0.170 nan 8.300 nan 0.000 0.472 552 F N 1.147 120.968 119.950 -0.214 0.000 2.126 552 F HA -0.202 4.324 4.527 -0.002 0.000 0.299 552 F C 2.672 178.453 175.800 -0.032 0.000 1.096 552 F CA 2.101 59.955 58.000 -0.244 0.000 1.255 552 F CB -1.402 37.611 39.000 0.022 0.000 0.997 552 F HN -0.028 nan 8.300 nan 0.000 0.479 553 T N -0.319 114.382 114.554 0.245 0.000 2.708 553 T HA -0.191 4.158 4.350 -0.002 0.000 0.266 553 T C 1.998 176.775 174.700 0.128 0.000 1.037 553 T CA 1.478 63.685 62.100 0.179 0.000 1.146 553 T CB -0.207 68.722 68.868 0.101 0.000 0.865 553 T HN 0.189 nan 8.240 nan 0.000 0.435 554 K N 0.220 120.677 120.400 0.095 0.000 2.097 554 K HA -0.064 4.255 4.320 -0.002 0.000 0.206 554 K C 2.002 178.729 176.600 0.212 0.000 1.049 554 K CA 1.214 57.596 56.287 0.157 0.000 0.933 554 K CB -0.320 32.316 32.500 0.227 0.000 0.717 554 K HN 0.281 nan 8.250 nan 0.000 0.442 555 F N 1.813 121.650 119.950 -0.188 0.000 2.113 555 F HA -0.114 4.412 4.527 -0.002 0.000 0.297 555 F C 1.695 177.468 175.800 -0.046 0.000 1.103 555 F CA 1.265 59.152 58.000 -0.188 0.000 1.248 555 F CB -0.322 38.316 39.000 -0.603 0.000 0.999 555 F HN -0.133 nan 8.300 nan 0.000 0.475 556 L N -0.198 120.903 121.223 -0.203 0.000 2.265 556 L HA -0.240 4.099 4.340 -0.002 0.000 0.215 556 L C 2.704 179.521 176.870 -0.089 0.000 1.117 556 L CA 1.450 56.171 54.840 -0.198 0.000 0.782 556 L CB -1.054 41.075 42.059 0.117 0.000 0.914 556 L HN 0.382 nan 8.230 nan 0.000 0.441 557 H N 0.334 119.364 119.070 -0.065 0.000 2.395 557 H HA -0.143 4.412 4.556 -0.002 0.000 0.299 557 H C 1.387 176.682 175.328 -0.056 0.000 1.070 557 H CA 1.486 57.523 56.048 -0.018 0.000 1.356 557 H CB 0.268 30.049 29.762 0.032 0.000 1.401 557 H HN 0.299 nan 8.280 nan 0.000 0.524 558 D N 0.895 121.277 120.400 -0.030 0.000 2.218 558 D HA -0.084 4.555 4.640 -0.002 0.000 0.204 558 D C 2.201 178.365 176.300 -0.227 0.000 0.976 558 D CA 0.432 54.385 54.000 -0.078 0.000 0.853 558 D CB -0.064 40.783 40.800 0.078 0.000 0.939 558 D HN 0.404 nan 8.370 nan 0.000 0.481 559 L N -0.524 120.491 121.223 -0.347 0.000 2.599 559 L HA 0.125 4.464 4.340 -0.002 0.000 0.230 559 L C 1.416 178.154 176.870 -0.219 0.000 1.141 559 L CA 0.375 55.024 54.840 -0.319 0.000 0.877 559 L CB -0.164 41.638 42.059 -0.428 0.000 1.009 559 L HN 0.116 nan 8.230 nan 0.000 0.447 560 G N -0.315 108.341 108.800 -0.240 0.000 2.143 560 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.248 560 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.248 560 G C 0.774 175.597 174.900 -0.128 0.000 0.991 560 G CA 0.572 45.550 45.100 -0.202 0.000 0.689 560 G HN 0.337 nan 8.290 nan 0.000 0.522 561 M N -0.792 118.749 119.600 -0.099 0.000 2.501 561 M HA 0.250 4.729 4.480 -0.002 0.000 0.261 561 M C 0.426 176.822 176.300 0.160 0.000 1.129 561 M CA 0.935 56.228 55.300 -0.011 0.000 1.126 561 M CB 0.703 33.245 32.600 -0.096 0.000 1.359 561 M HN 0.062 nan 8.290 nan 0.000 0.471 562 V N 0.398 120.394 119.914 0.138 0.000 2.588 562 V HA 0.194 4.313 4.120 -0.002 0.000 0.304 562 V C 0.654 176.867 176.094 0.199 0.000 1.042 562 V CA -0.861 61.553 62.300 0.191 0.000 0.877 562 V CB 2.069 34.022 31.823 0.217 0.000 0.996 562 V HN 0.165 nan 8.190 nan 0.000 0.425 563 K N 3.086 123.585 120.400 0.166 0.000 2.057 563 K HA -0.038 4.281 4.320 -0.002 0.000 0.206 563 K C 0.803 177.543 176.600 0.234 0.000 1.050 563 K CA 1.506 57.903 56.287 0.183 0.000 0.935 563 K CB 0.236 32.795 32.500 0.098 0.000 0.715 563 K HN 0.709 nan 8.250 nan 0.000 0.439 564 V N -0.452 119.541 119.914 0.131 0.000 3.083 564 V HA 0.151 4.270 4.120 -0.002 0.000 0.306 564 V C 0.358 176.428 176.094 -0.041 0.000 1.077 564 V CA -0.244 62.073 62.300 0.029 0.000 1.073 564 V CB 1.502 33.328 31.823 0.004 0.000 1.081 564 V HN 0.239 nan 8.190 nan 0.000 0.474 565 E N -0.302 119.803 120.200 -0.158 0.000 2.526 565 E HA 0.223 4.572 4.350 -0.002 0.000 0.208 565 E C -0.444 176.081 176.600 -0.124 0.000 0.997 565 E CA -0.055 56.225 56.400 -0.199 0.000 0.961 565 E CB 0.639 30.146 29.700 -0.322 0.000 1.030 565 E HN 0.723 nan 8.360 nan 0.000 0.483 566 E N 1.375 121.495 120.200 -0.133 0.000 2.220 566 E HA 0.130 4.479 4.350 -0.002 0.000 0.256 566 E C -1.906 174.558 176.600 -0.226 0.000 0.881 566 E CA -2.017 54.279 56.400 -0.174 0.000 0.766 566 E CB 1.772 31.370 29.700 -0.171 0.000 1.187 566 E HN -0.037 nan 8.360 nan 0.000 0.419 567 P HA -0.084 nan 4.420 nan 0.000 0.217 567 P C 0.108 176.986 177.300 -0.703 0.000 1.150 567 P CA 0.964 63.624 63.100 -0.734 0.000 0.832 567 P CB 0.182 31.064 31.700 -1.363 0.000 0.787 568 F N 0.323 120.201 119.950 -0.120 0.000 2.347 568 F HA 0.420 4.946 4.527 -0.002 0.000 0.366 568 F C 1.823 177.754 175.800 0.219 0.000 1.107 568 F CA -1.184 56.798 58.000 -0.030 0.000 1.058 568 F CB 0.478 39.472 39.000 -0.009 0.000 1.236 568 F HN -0.156 nan 8.300 nan 0.000 0.456 569 Q N 2.166 122.109 119.800 0.239 0.000 2.167 569 Q HA 0.129 4.468 4.340 -0.002 0.000 0.202 569 Q C 0.560 176.748 176.000 0.314 0.000 0.970 569 Q CA 0.974 56.900 55.803 0.205 0.000 0.855 569 Q CB 0.284 29.079 28.738 0.095 0.000 0.911 569 Q HN 0.891 nan 8.270 nan 0.000 0.438 570 G N -0.015 108.946 108.800 0.269 0.000 2.682 570 G HA2 0.518 4.477 3.960 -0.002 0.000 0.300 570 G HA3 0.518 4.477 3.960 -0.002 0.000 0.300 570 G C -2.052 172.844 174.900 -0.007 0.000 1.391 570 G CA -0.627 44.575 45.100 0.171 0.000 0.990 570 G HN 0.051 nan 8.290 nan 0.000 0.501 571 L N 1.925 123.024 121.223 -0.207 0.000 2.305 571 L HA 0.506 4.845 4.340 -0.002 0.000 0.284 571 L C -0.853 175.935 176.870 -0.137 0.000 1.013 571 L CA -0.924 53.704 54.840 -0.353 0.000 0.819 571 L CB 1.404 42.998 42.059 -0.775 0.000 1.227 571 L HN 0.463 nan 8.230 nan 0.000 0.417 572 F N 4.004 123.789 119.950 -0.275 0.000 2.395 572 F HA 0.305 4.831 4.527 -0.002 0.000 0.347 572 F C 0.628 176.262 175.800 -0.275 0.000 1.157 572 F CA -1.321 56.531 58.000 -0.247 0.000 1.272 572 F CB -0.053 38.817 39.000 -0.217 0.000 1.607 572 F HN 0.536 nan 8.300 nan 0.000 0.571 573 T N 2.056 116.612 114.554 0.002 0.000 2.930 573 T HA 0.285 4.634 4.350 -0.002 0.000 0.306 573 T C -0.170 174.431 174.700 -0.164 0.000 1.045 573 T CA -0.553 61.462 62.100 -0.141 0.000 1.134 573 T CB 1.097 69.885 68.868 -0.132 0.000 0.961 573 T HN 0.456 nan 8.240 nan 0.000 0.545 574 Q N 1.694 121.352 119.800 -0.237 0.000 2.340 574 Q HA 0.504 4.843 4.340 -0.002 0.000 0.268 574 Q C 0.318 176.217 176.000 -0.169 0.000 1.031 574 Q CA -0.641 55.017 55.803 -0.242 0.000 0.804 574 Q CB 2.220 30.763 28.738 -0.326 0.000 1.286 574 Q HN 1.016 nan 8.270 nan 0.000 0.448 575 G N 1.882 110.606 108.800 -0.127 0.000 2.572 575 G HA2 0.362 4.322 3.960 -0.002 0.000 0.261 575 G HA3 0.362 4.322 3.960 -0.002 0.000 0.261 575 G C 0.157 175.004 174.900 -0.089 0.000 1.197 575 G CA -0.530 44.512 45.100 -0.096 0.000 0.870 575 G HN 0.377 nan 8.290 nan 0.000 0.548 576 M N 0.197 119.755 119.600 -0.069 0.000 2.243 576 M HA 0.124 4.603 4.480 -0.002 0.000 0.341 576 M C 0.120 176.391 176.300 -0.050 0.000 1.130 576 M CA -0.142 55.122 55.300 -0.060 0.000 1.162 576 M CB 1.252 33.827 32.600 -0.043 0.000 1.497 576 M HN 0.042 nan 8.290 nan 0.000 0.456 577 V N 5.079 124.965 119.914 -0.047 0.000 2.432 577 V HA 0.375 4.494 4.120 -0.002 0.000 0.275 577 V C 0.399 176.469 176.094 -0.040 0.000 1.043 577 V CA -0.382 61.908 62.300 -0.017 0.000 0.925 577 V CB 1.009 32.832 31.823 -0.000 0.000 0.985 577 V HN 0.668 nan 8.190 nan 0.000 0.466 578 L N 3.949 125.161 121.223 -0.018 0.000 2.299 578 L HA 1.011 5.350 4.340 -0.002 0.000 0.268 578 L C 0.013 176.882 176.870 -0.002 0.000 1.012 578 L CA -0.832 53.979 54.840 -0.048 0.000 0.816 578 L CB 1.708 43.711 42.059 -0.094 0.000 1.355 578 L HN 0.670 nan 8.230 nan 0.000 0.457 579 A N -0.570 122.234 122.820 -0.027 0.000 2.540 579 A HA 0.477 4.796 4.320 -0.002 0.000 0.297 579 A C -2.050 175.581 177.584 0.079 0.000 1.056 579 A CA -0.539 51.545 52.037 0.079 0.000 0.700 579 A CB 0.531 19.581 19.000 0.082 0.000 1.280 579 A HN 0.608 nan 8.150 nan 0.000 0.398 580 W N 2.048 123.480 121.300 0.221 0.000 2.417 580 W HA 0.361 5.020 4.660 -0.002 0.000 0.332 580 W C 0.314 177.016 176.519 0.304 0.000 1.413 580 W CA 1.382 58.916 57.345 0.315 0.000 1.299 580 W CB 0.807 30.485 29.460 0.362 0.000 1.304 580 W HN 0.584 nan 8.180 nan 0.000 0.565 581 T N 3.588 118.365 114.554 0.372 0.000 2.841 581 T HA 0.061 4.410 4.350 -0.002 0.000 0.283 581 T C -0.887 173.540 174.700 -0.455 0.000 1.000 581 T CA -0.808 61.221 62.100 -0.118 0.000 0.977 581 T CB 1.426 70.044 68.868 -0.417 0.000 0.979 581 T HN 0.151 nan 8.240 nan 0.000 0.446 582 D N 1.603 121.392 120.400 -1.018 0.000 2.339 582 D HA 0.211 4.850 4.640 -0.002 0.000 0.241 582 D C -0.107 175.740 176.300 -0.756 0.000 1.183 582 D CA -0.587 52.586 54.000 -1.378 0.000 0.859 582 D CB 0.383 40.302 40.800 -1.467 0.000 1.067 582 D HN 0.398 nan 8.370 nan 0.000 0.484 583 F N 2.187 121.928 119.950 -0.348 0.000 2.754 583 F HA 0.305 4.831 4.527 -0.002 0.000 0.297 583 F C 1.655 177.333 175.800 -0.202 0.000 1.122 583 F CA 0.813 58.695 58.000 -0.197 0.000 1.400 583 F CB 0.429 39.363 39.000 -0.111 0.000 1.117 583 F HN 0.579 nan 8.300 nan 0.000 0.587 584 G N -0.055 108.657 108.800 -0.147 0.000 2.355 584 G HA2 0.039 3.998 3.960 -0.002 0.000 0.619 584 G HA3 0.039 3.998 3.960 -0.002 0.000 0.619 584 G C -3.154 171.384 174.900 -0.604 0.000 1.337 584 G CA -1.337 43.553 45.100 -0.350 0.000 0.993 584 G HN -0.205 nan 8.290 nan 0.000 0.599 585 P HA 0.548 nan 4.420 nan 0.000 0.274 585 P C 0.078 177.266 177.300 -0.186 0.000 1.237 585 P CA 0.121 62.885 63.100 -0.560 0.000 0.793 585 P CB 1.637 33.100 31.700 -0.396 0.000 0.977 586 V N -2.379 117.500 119.914 -0.059 0.000 3.181 586 V HA 0.647 4.766 4.120 -0.002 0.000 0.308 586 V C -0.953 175.152 176.094 0.019 0.000 1.214 586 V CA -1.064 61.231 62.300 -0.009 0.000 1.053 586 V CB 2.072 33.910 31.823 0.025 0.000 1.069 586 V HN 0.550 nan 8.190 nan 0.000 0.441 587 E N 0.428 120.639 120.200 0.019 0.000 2.224 587 E HA 0.694 5.043 4.350 -0.002 0.000 0.265 587 E C -1.749 174.868 176.600 0.029 0.000 0.878 587 E CA -0.632 55.784 56.400 0.026 0.000 0.759 587 E CB 2.284 31.994 29.700 0.017 0.000 1.164 587 E HN 0.729 nan 8.360 nan 0.000 0.414 588 V N 3.411 123.347 119.914 0.036 0.000 2.483 588 V HA 0.459 4.578 4.120 -0.002 0.000 0.295 588 V C -0.491 175.620 176.094 0.028 0.000 1.035 588 V CA -0.644 61.676 62.300 0.034 0.000 0.896 588 V CB 1.665 33.514 31.823 0.042 0.000 0.986 588 V HN 0.666 nan 8.190 nan 0.000 0.447 589 E N 2.592 122.806 120.200 0.023 0.000 2.361 589 E HA 0.573 4.922 4.350 -0.002 0.000 0.270 589 E C 0.233 176.844 176.600 0.018 0.000 0.911 589 E CA 0.725 57.136 56.400 0.020 0.000 0.818 589 E CB 1.155 30.865 29.700 0.017 0.000 1.332 589 E HN 1.020 nan 8.360 nan 0.000 0.402 590 G N 3.105 111.916 108.800 0.018 0.000 2.536 590 G HA2 -0.340 3.619 3.960 -0.002 0.000 0.280 590 G HA3 -0.340 3.619 3.960 -0.002 0.000 0.280 590 G C 0.800 175.712 174.900 0.019 0.000 1.152 590 G CA 0.502 45.612 45.100 0.017 0.000 0.970 590 G HN 1.175 nan 8.290 nan 0.000 0.549 591 S N -0.591 115.119 115.700 0.017 0.000 2.577 591 S HA 0.560 5.029 4.470 -0.002 0.000 0.219 591 S C 0.406 175.017 174.600 0.018 0.000 0.962 591 S CA 0.766 58.977 58.200 0.018 0.000 0.921 591 S CB 0.555 63.764 63.200 0.016 0.000 0.789 591 S HN 1.246 nan 8.310 nan 0.000 0.497 592 V N 2.129 122.053 119.914 0.017 0.000 2.417 592 V HA 0.471 4.590 4.120 -0.002 0.000 0.291 592 V C -0.403 175.702 176.094 0.018 0.000 1.024 592 V CA -0.746 61.563 62.300 0.016 0.000 0.861 592 V CB 1.687 33.517 31.823 0.012 0.000 0.985 592 V HN 0.286 nan 8.190 nan 0.000 0.436 593 V N 5.615 125.540 119.914 0.018 0.000 2.347 593 V HA 0.444 4.563 4.120 -0.002 0.000 0.280 593 V C 0.324 176.425 176.094 0.012 0.000 1.021 593 V CA -0.659 61.654 62.300 0.021 0.000 0.847 593 V CB 1.234 33.074 31.823 0.028 0.000 0.990 593 V HN 0.851 nan 8.190 nan 0.000 0.444 594 R N 5.099 125.606 120.500 0.011 0.000 2.308 594 R HA 0.547 4.887 4.340 -0.002 0.000 0.305 594 R C -1.123 175.176 176.300 -0.002 0.000 1.053 594 R CA -0.514 55.588 56.100 0.004 0.000 0.957 594 R CB 0.641 30.944 30.300 0.004 0.000 1.022 594 R HN 0.696 nan 8.270 nan 0.000 0.461 595 L N 7.378 128.596 121.223 -0.008 0.000 2.276 595 L HA 0.428 4.767 4.340 -0.002 0.000 0.286 595 L C -2.069 174.790 176.870 -0.019 0.000 1.024 595 L CA -2.379 52.452 54.840 -0.016 0.000 0.826 595 L CB 1.706 43.752 42.059 -0.021 0.000 1.211 595 L HN 0.504 nan 8.230 nan 0.000 0.422 596 P HA 0.021 nan 4.420 nan 0.000 0.269 596 P C 0.565 177.851 177.300 -0.023 0.000 1.215 596 P CA -0.258 62.826 63.100 -0.026 0.000 0.780 596 P CB 0.796 32.474 31.700 -0.038 0.000 0.898 597 E N 2.617 122.807 120.200 -0.018 0.000 2.086 597 E HA -0.191 4.158 4.350 -0.002 0.000 0.200 597 E C -0.693 175.899 176.600 -0.013 0.000 1.012 597 E CA 2.295 58.687 56.400 -0.014 0.000 0.812 597 E CB -2.101 27.593 29.700 -0.011 0.000 0.743 597 E HN 0.471 nan 8.360 nan 0.000 0.453 598 P HA -0.090 nan 4.420 nan 0.000 0.215 598 P C 1.450 178.744 177.300 -0.010 0.000 1.153 598 P CA 1.775 64.864 63.100 -0.018 0.000 0.853 598 P CB -0.119 31.563 31.700 -0.031 0.000 0.788 599 T N -0.795 113.746 114.554 -0.022 0.000 2.708 599 T HA -0.170 4.179 4.350 -0.002 0.000 0.266 599 T C 1.899 176.605 174.700 0.011 0.000 1.037 599 T CA 1.237 63.334 62.100 -0.004 0.000 1.146 599 T CB -0.528 68.318 68.868 -0.036 0.000 0.865 599 T HN 0.116 nan 8.240 nan 0.000 0.435 600 R N 0.559 121.051 120.500 -0.012 0.000 2.081 600 R HA -0.030 4.309 4.340 -0.002 0.000 0.235 600 R C 2.386 178.679 176.300 -0.011 0.000 1.131 600 R CA 1.298 57.384 56.100 -0.023 0.000 0.960 600 R CB -0.432 29.855 30.300 -0.022 0.000 0.856 600 R HN 0.402 nan 8.270 nan 0.000 0.436 601 I N 0.420 120.993 120.570 0.004 0.000 2.226 601 I HA -0.274 3.895 4.170 -0.002 0.000 0.245 601 I C 2.489 178.632 176.117 0.043 0.000 1.100 601 I CA 1.340 62.649 61.300 0.014 0.000 1.374 601 I CB -0.263 37.743 38.000 0.010 0.000 1.057 601 I HN 0.197 nan 8.210 nan 0.000 0.413 602 R N 0.560 121.109 120.500 0.083 0.000 2.096 602 R HA -0.121 4.218 4.340 -0.002 0.000 0.235 602 R C 2.283 178.737 176.300 0.257 0.000 1.127 602 R CA 1.206 57.416 56.100 0.183 0.000 0.968 602 R CB -0.411 30.034 30.300 0.241 0.000 0.861 602 R HN 0.367 nan 8.270 nan 0.000 0.440 603 L N 0.830 122.098 121.223 0.074 0.000 2.275 603 L HA -0.079 4.260 4.340 -0.002 0.000 0.215 603 L C 0.193 176.988 176.870 -0.124 0.000 1.119 603 L CA 0.784 55.476 54.840 -0.247 0.000 0.790 603 L CB -0.244 41.599 42.059 -0.360 0.000 0.919 603 L HN 0.286 nan 8.230 nan 0.000 0.443 604 E N 0.548 120.726 120.200 -0.037 0.000 2.416 604 E HA -0.225 4.124 4.350 -0.002 0.000 0.249 604 E C -0.331 176.244 176.600 -0.042 0.000 1.124 604 E CA 0.475 56.861 56.400 -0.023 0.000 0.732 604 E CB -1.742 27.957 29.700 -0.003 0.000 1.286 604 E HN 0.616 nan 8.360 nan 0.000 0.394 605 I N -4.178 116.361 120.570 -0.053 0.000 2.892 605 I HA 0.519 4.688 4.170 -0.002 0.000 0.306 605 I C -1.810 174.288 176.117 -0.033 0.000 1.078 605 I CA -2.477 58.794 61.300 -0.049 0.000 1.032 605 I CB 1.956 39.913 38.000 -0.071 0.000 1.229 605 I HN -0.286 nan 8.210 nan 0.000 0.435 606 P HA 0.055 nan 4.420 nan 0.000 0.227 606 P C 0.011 177.302 177.300 -0.017 0.000 1.161 606 P CA 0.723 63.813 63.100 -0.016 0.000 0.788 606 P CB 0.202 31.896 31.700 -0.010 0.000 0.822 607 E N 0.075 120.262 120.200 -0.022 0.000 2.344 607 E HA 0.166 4.515 4.350 -0.002 0.000 0.270 607 E C 0.881 177.470 176.600 -0.019 0.000 1.021 607 E CA 0.185 56.573 56.400 -0.019 0.000 0.887 607 E CB 0.356 30.044 29.700 -0.021 0.000 0.997 607 E HN -0.063 nan 8.360 nan 0.000 0.429 608 S N 1.355 117.047 115.700 -0.013 0.000 2.535 608 S HA 0.310 4.779 4.470 -0.002 0.000 0.214 608 S C 0.077 174.671 174.600 -0.009 0.000 0.980 608 S CA 0.105 58.298 58.200 -0.012 0.000 0.907 608 S CB 0.486 63.681 63.200 -0.008 0.000 0.790 608 S HN 0.563 nan 8.310 nan 0.000 0.510 609 A N 1.170 123.985 122.820 -0.008 0.000 2.455 609 A HA 0.793 5.112 4.320 -0.002 0.000 0.300 609 A C -1.267 176.314 177.584 -0.005 0.000 1.040 609 A CA -0.557 51.478 52.037 -0.004 0.000 0.697 609 A CB 1.162 20.162 19.000 -0.001 0.000 1.265 609 A HN 0.279 nan 8.150 nan 0.000 0.407 610 L N 1.568 122.791 121.223 -0.001 0.000 2.388 610 L HA 0.617 4.956 4.340 -0.002 0.000 0.264 610 L C 0.625 177.500 176.870 0.008 0.000 0.998 610 L CA -0.807 54.033 54.840 0.000 0.000 0.817 610 L CB 2.536 44.593 42.059 -0.003 0.000 1.338 610 L HN 0.894 nan 8.230 nan 0.000 0.414 611 S N 1.089 116.794 115.700 0.009 0.000 2.632 611 S HA 0.390 4.859 4.470 -0.002 0.000 0.267 611 S C 1.081 175.693 174.600 0.020 0.000 1.276 611 S CA -0.767 57.441 58.200 0.014 0.000 0.998 611 S CB 1.051 64.258 63.200 0.012 0.000 0.953 611 S HN 0.616 nan 8.310 nan 0.000 0.547 612 L N 0.206 121.443 121.223 0.024 0.000 2.127 612 L HA -0.113 4.226 4.340 -0.002 0.000 0.211 612 L C 2.825 179.714 176.870 0.031 0.000 1.089 612 L CA 1.734 56.593 54.840 0.032 0.000 0.757 612 L CB -0.607 41.471 42.059 0.031 0.000 0.899 612 L HN 0.783 nan 8.230 nan 0.000 0.434 613 E N 0.252 120.467 120.200 0.024 0.000 2.152 613 E HA -0.188 4.162 4.350 -0.002 0.000 0.192 613 E C 1.725 178.338 176.600 0.020 0.000 0.983 613 E CA 1.096 57.509 56.400 0.022 0.000 0.818 613 E CB 0.001 29.711 29.700 0.017 0.000 0.758 613 E HN 0.353 nan 8.360 nan 0.000 0.467 614 D N -0.551 119.859 120.400 0.016 0.000 2.117 614 D HA -0.118 4.521 4.640 -0.002 0.000 0.198 614 D C 1.984 178.292 176.300 0.014 0.000 0.982 614 D CA 1.045 55.051 54.000 0.009 0.000 0.828 614 D CB -0.163 40.639 40.800 0.003 0.000 0.967 614 D HN 0.104 nan 8.370 nan 0.000 0.464 615 V N 1.203 121.132 119.914 0.025 0.000 2.287 615 V HA -0.247 3.872 4.120 -0.002 0.000 0.248 615 V C 2.620 178.747 176.094 0.056 0.000 1.053 615 V CA 1.708 64.032 62.300 0.041 0.000 1.027 615 V CB -0.443 31.415 31.823 0.059 0.000 0.646 615 V HN 0.140 nan 8.190 nan 0.000 0.447 616 R N 0.275 120.809 120.500 0.056 0.000 2.073 616 R HA -0.221 4.118 4.340 -0.002 0.000 0.234 616 R C 2.458 178.787 176.300 0.049 0.000 1.134 616 R CA 2.139 58.277 56.100 0.063 0.000 0.952 616 R CB -0.305 30.026 30.300 0.052 0.000 0.850 616 R HN 0.468 nan 8.270 nan 0.000 0.433 617 K N 0.771 121.189 120.400 0.030 0.000 2.152 617 K HA -0.159 4.160 4.320 -0.002 0.000 0.206 617 K C 2.010 178.616 176.600 0.010 0.000 1.048 617 K CA 1.950 58.248 56.287 0.018 0.000 0.933 617 K CB -0.082 32.424 32.500 0.010 0.000 0.721 617 K HN 0.364 nan 8.250 nan 0.000 0.447 618 M N -2.470 117.134 119.600 0.006 0.000 2.561 618 M HA 0.248 4.727 4.480 -0.002 0.000 0.238 618 M C 0.802 177.097 176.300 -0.009 0.000 1.131 618 M CA 1.044 56.336 55.300 -0.013 0.000 1.046 618 M CB 0.486 33.066 32.600 -0.035 0.000 1.532 618 M HN 0.151 nan 8.290 nan 0.000 0.497 619 G N 0.953 109.769 108.800 0.026 0.000 2.137 619 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.237 619 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.237 619 G C 0.063 175.028 174.900 0.109 0.000 1.002 619 G CA 0.104 45.231 45.100 0.045 0.000 0.702 619 G HN 0.963 nan 8.290 nan 0.000 0.515 620 A N -0.721 122.184 122.820 0.142 0.000 2.256 620 A HA 0.899 5.218 4.320 -0.002 0.000 0.318 620 A C 0.179 177.949 177.584 0.309 0.000 1.103 620 A CA -0.330 51.859 52.037 0.253 0.000 0.860 620 A CB 1.026 20.122 19.000 0.159 0.000 1.182 620 A HN 0.418 nan 8.150 nan 0.000 0.501 621 E N -0.007 120.425 120.200 0.387 0.000 2.343 621 E HA 0.372 4.721 4.350 -0.002 0.000 0.278 621 E C -1.663 175.107 176.600 0.282 0.000 0.910 621 E CA -0.520 56.042 56.400 0.270 0.000 0.757 621 E CB 1.916 31.731 29.700 0.191 0.000 1.218 621 E HN 0.543 nan 8.360 nan 0.000 0.435 622 L N 2.836 124.177 121.223 0.196 0.000 2.276 622 L HA 0.500 4.839 4.340 -0.002 0.000 0.286 622 L C 0.194 177.164 176.870 0.167 0.000 1.061 622 L CA -0.417 54.553 54.840 0.217 0.000 0.807 622 L CB 0.458 42.609 42.059 0.154 0.000 1.177 622 L HN 0.229 nan 8.230 nan 0.000 0.429 623 R N 4.229 124.873 120.500 0.239 0.000 2.561 623 R HA 0.428 4.767 4.340 -0.002 0.000 0.297 623 R C -2.608 173.790 176.300 0.163 0.000 0.969 623 R CA -1.940 54.215 56.100 0.091 0.000 0.879 623 R CB 2.231 32.426 30.300 -0.176 0.000 1.178 623 R HN 0.339 nan 8.270 nan 0.000 0.445 624 P HA 0.005 nan 4.420 nan 0.000 0.267 624 P C -0.899 176.456 177.300 0.092 0.000 1.205 624 P CA 0.158 63.315 63.100 0.095 0.000 0.765 624 P CB 0.734 32.455 31.700 0.036 0.000 0.828 625 H N 1.000 120.067 119.070 -0.006 0.000 2.567 625 H HA 0.141 4.696 4.556 -0.002 0.000 0.345 625 H C 1.454 176.762 175.328 -0.033 0.000 1.169 625 H CA -0.459 55.534 56.048 -0.091 0.000 1.227 625 H CB 1.454 31.023 29.762 -0.323 0.000 1.607 625 H HN 0.435 nan 8.280 nan 0.000 0.534 626 E N 0.730 120.799 120.200 -0.217 0.000 2.338 626 E HA -0.174 4.176 4.350 -0.002 0.000 0.197 626 E C 0.514 177.149 176.600 0.059 0.000 1.007 626 E CA 1.135 57.487 56.400 -0.079 0.000 0.849 626 E CB -0.007 29.612 29.700 -0.135 0.000 0.774 626 E HN 0.697 nan 8.360 nan 0.000 0.506 627 D N 0.670 121.196 120.400 0.209 0.000 2.378 627 D HA -0.023 4.616 4.640 -0.002 0.000 0.227 627 D C 1.425 177.813 176.300 0.148 0.000 1.012 627 D CA 0.836 54.959 54.000 0.206 0.000 0.905 627 D CB -0.021 40.949 40.800 0.283 0.000 0.895 627 D HN 0.363 nan 8.370 nan 0.000 0.532 628 G N -0.303 108.575 108.800 0.131 0.000 2.179 628 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.260 628 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.260 628 G C 0.421 175.393 174.900 0.119 0.000 0.977 628 G CA 0.734 45.894 45.100 0.100 0.000 0.641 628 G HN 0.888 nan 8.290 nan 0.000 0.533 629 T N -1.676 112.983 114.554 0.174 0.000 2.930 629 T HA 0.773 5.122 4.350 -0.002 0.000 0.290 629 T C 0.099 174.960 174.700 0.268 0.000 1.052 629 T CA -0.999 61.214 62.100 0.188 0.000 1.017 629 T CB 2.355 71.332 68.868 0.182 0.000 1.137 629 T HN 0.493 nan 8.240 nan 0.000 0.511 630 L N 1.668 123.033 121.223 0.236 0.000 2.334 630 L HA 0.463 4.803 4.340 -0.002 0.000 0.277 630 L C 0.452 177.549 176.870 0.378 0.000 1.075 630 L CA -0.821 54.183 54.840 0.274 0.000 0.804 630 L CB 0.731 42.896 42.059 0.177 0.000 1.174 630 L HN 0.685 nan 8.230 nan 0.000 0.438 631 H N 2.999 122.202 119.070 0.222 0.000 2.569 631 H HA 0.383 4.938 4.556 -0.002 0.000 0.357 631 H C -0.902 174.619 175.328 0.321 0.000 1.153 631 H CA -0.908 55.267 56.048 0.212 0.000 1.193 631 H CB 3.018 32.915 29.762 0.226 0.000 1.602 631 H HN 0.388 nan 8.280 nan 0.000 0.523 632 L N 3.144 124.546 121.223 0.299 0.000 2.264 632 L HA 0.239 4.578 4.340 -0.002 0.000 0.289 632 L C -1.393 175.726 176.870 0.414 0.000 1.044 632 L CA -0.504 54.534 54.840 0.330 0.000 0.807 632 L CB 0.314 42.480 42.059 0.179 0.000 1.192 632 L HN 0.497 nan 8.230 nan 0.000 0.425 633 W N 5.704 127.223 121.300 0.365 0.000 2.627 633 W HA 0.672 5.331 4.660 -0.002 0.000 0.339 633 W C -0.444 176.425 176.519 0.584 0.000 1.058 633 W CA -0.542 57.102 57.345 0.500 0.000 1.223 633 W CB 1.532 31.262 29.460 0.450 0.000 1.389 633 W HN 0.322 nan 8.180 nan 0.000 0.541 634 K N 2.300 123.176 120.400 0.793 0.000 2.578 634 K HA 0.347 4.666 4.320 -0.002 0.000 0.269 634 K C -2.995 173.617 176.600 0.020 0.000 0.941 634 K CA -1.716 54.763 56.287 0.321 0.000 0.847 634 K CB 2.100 34.711 32.500 0.185 0.000 1.397 634 K HN -0.024 nan 8.250 nan 0.000 0.422 635 P HA 0.143 nan 4.420 nan 0.000 0.271 635 P C -1.594 175.627 177.300 -0.132 0.000 1.226 635 P CA -0.083 62.712 63.100 -0.509 0.000 0.765 635 P CB 1.174 32.466 31.700 -0.680 0.000 0.835 636 A N 3.507 126.311 122.820 -0.027 0.000 2.401 636 A HA 0.482 4.801 4.320 -0.002 0.000 0.310 636 A C -0.454 177.120 177.584 -0.017 0.000 1.075 636 A CA -0.813 51.256 52.037 0.052 0.000 0.746 636 A CB 1.003 20.127 19.000 0.206 0.000 1.277 636 A HN 0.299 nan 8.150 nan 0.000 0.425 637 V N 2.894 122.798 119.914 -0.017 0.000 2.726 637 V HA -0.109 4.010 4.120 -0.002 0.000 0.304 637 V C 0.946 176.983 176.094 -0.096 0.000 1.115 637 V CA 0.823 63.093 62.300 -0.049 0.000 1.264 637 V CB -0.045 31.762 31.823 -0.025 0.000 0.867 637 V HN 0.901 nan 8.190 nan 0.000 0.498 638 M N 6.477 125.975 119.600 -0.170 0.000 2.251 638 M HA 0.349 4.828 4.480 -0.002 0.000 0.346 638 M C 0.060 176.104 176.300 -0.427 0.000 1.499 638 M CA 0.430 55.532 55.300 -0.329 0.000 1.128 638 M CB 0.214 32.541 32.600 -0.455 0.000 1.809 638 M HN 0.942 nan 8.290 nan 0.000 0.464 639 S N 3.878 119.399 115.700 -0.298 0.000 2.547 639 S HA 0.348 4.817 4.470 -0.002 0.000 0.270 639 S C 0.175 174.763 174.600 -0.020 0.000 1.150 639 S CA -1.090 57.050 58.200 -0.100 0.000 0.850 639 S CB 1.651 64.851 63.200 -0.000 0.000 1.118 639 S HN 0.746 nan 8.310 nan 0.000 0.461 640 K N 1.622 122.092 120.400 0.118 0.000 2.063 640 K HA -0.127 4.192 4.320 -0.002 0.000 0.208 640 K C 2.236 178.872 176.600 0.059 0.000 1.048 640 K CA 2.343 58.697 56.287 0.112 0.000 0.928 640 K CB -0.913 31.685 32.500 0.164 0.000 0.713 640 K HN 0.825 nan 8.250 nan 0.000 0.442 641 S N 0.954 116.687 115.700 0.054 0.000 2.353 641 S HA -0.106 4.363 4.470 -0.002 0.000 0.222 641 S C 1.786 176.387 174.600 0.001 0.000 1.035 641 S CA 0.894 59.113 58.200 0.031 0.000 1.025 641 S CB -0.271 62.948 63.200 0.033 0.000 0.902 641 S HN 0.167 nan 8.310 nan 0.000 0.440 642 K N 1.321 121.711 120.400 -0.016 0.000 2.360 642 K HA 0.013 4.332 4.320 -0.002 0.000 0.201 642 K C 1.538 178.091 176.600 -0.078 0.000 1.046 642 K CA 0.779 57.034 56.287 -0.054 0.000 0.940 642 K CB -1.225 31.238 32.500 -0.063 0.000 0.748 642 K HN 0.753 nan 8.250 nan 0.000 0.465 643 G N 2.899 111.671 108.800 -0.047 0.000 2.198 643 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.260 643 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.260 643 G C 0.191 175.059 174.900 -0.052 0.000 1.025 643 G CA 0.729 45.806 45.100 -0.038 0.000 0.769 643 G HN 0.494 nan 8.290 nan 0.000 0.507 644 N N -0.274 118.382 118.700 -0.074 0.000 2.197 644 N HA 0.320 5.059 4.740 -0.002 0.000 0.228 644 N C 0.938 176.382 175.510 -0.110 0.000 1.212 644 N CA 0.378 53.387 53.050 -0.069 0.000 0.883 644 N CB 0.033 38.472 38.487 -0.080 0.000 1.107 644 N HN 0.679 nan 8.380 nan 0.000 0.519 645 G N 0.160 108.882 108.800 -0.130 0.000 2.442 645 G HA2 0.409 4.368 3.960 -0.002 0.000 0.249 645 G HA3 0.409 4.368 3.960 -0.002 0.000 0.249 645 G C -0.666 174.159 174.900 -0.125 0.000 1.263 645 G CA -0.299 44.681 45.100 -0.201 0.000 0.846 645 G HN 0.078 nan 8.290 nan 0.000 0.555 646 V N 4.970 124.747 119.914 -0.227 0.000 2.294 646 V HA 0.169 4.288 4.120 -0.002 0.000 0.272 646 V C 0.010 176.028 176.094 -0.127 0.000 1.027 646 V CA -0.866 61.286 62.300 -0.246 0.000 0.823 646 V CB 0.954 32.347 31.823 -0.716 0.000 1.030 646 V HN 0.625 nan 8.190 nan 0.000 0.457 647 M N 4.178 123.791 119.600 0.021 0.000 2.228 647 M HA 0.178 4.657 4.480 -0.002 0.000 0.351 647 M C 1.315 177.677 176.300 0.103 0.000 1.233 647 M CA 0.142 55.491 55.300 0.081 0.000 1.129 647 M CB 0.546 33.202 32.600 0.094 0.000 1.604 647 M HN 0.328 nan 8.290 nan 0.000 0.457 648 V N 3.669 123.645 119.914 0.103 0.000 2.233 648 V HA -0.234 3.885 4.120 -0.002 0.000 0.247 648 V C 2.260 178.463 176.094 0.183 0.000 1.050 648 V CA 2.613 65.000 62.300 0.145 0.000 1.010 648 V CB -1.408 30.496 31.823 0.134 0.000 0.637 648 V HN 1.099 nan 8.190 nan 0.000 0.444 649 G N 0.597 109.475 108.800 0.130 0.000 2.553 649 G HA2 -0.251 3.709 3.960 -0.002 0.000 0.218 649 G HA3 -0.251 3.709 3.960 -0.002 0.000 0.218 649 G C -0.152 174.822 174.900 0.124 0.000 1.195 649 G CA 1.479 46.646 45.100 0.111 0.000 0.779 649 G HN 0.524 nan 8.290 nan 0.000 0.577 650 P HA -0.084 nan 4.420 nan 0.000 0.215 650 P C 1.669 179.061 177.300 0.154 0.000 1.157 650 P CA 0.761 63.935 63.100 0.123 0.000 0.868 650 P CB -0.163 31.610 31.700 0.123 0.000 0.788 651 F N 0.227 120.235 119.950 0.098 0.000 2.095 651 F HA -0.207 4.319 4.527 -0.002 0.000 0.298 651 F C 2.008 177.897 175.800 0.148 0.000 1.104 651 F CA 1.429 59.515 58.000 0.143 0.000 1.232 651 F CB -0.814 38.278 39.000 0.154 0.000 0.987 651 F HN -0.321 nan 8.300 nan 0.000 0.475 652 V N 0.661 120.760 119.914 0.307 0.000 2.490 652 V HA -0.318 3.801 4.120 -0.002 0.000 0.250 652 V C 2.433 178.555 176.094 0.048 0.000 1.061 652 V CA 2.239 64.654 62.300 0.190 0.000 1.064 652 V CB -0.761 31.185 31.823 0.205 0.000 0.670 652 V HN 0.333 nan 8.190 nan 0.000 0.461 653 K N -0.060 120.369 120.400 0.049 0.000 2.097 653 K HA -0.204 4.115 4.320 -0.002 0.000 0.205 653 K C 2.211 178.811 176.600 -0.000 0.000 1.050 653 K CA 1.730 58.036 56.287 0.032 0.000 0.938 653 K CB -0.011 32.515 32.500 0.043 0.000 0.718 653 K HN 0.566 nan 8.250 nan 0.000 0.442 654 E N -0.887 119.284 120.200 -0.049 0.000 2.250 654 E HA -0.111 4.238 4.350 -0.002 0.000 0.192 654 E C 1.289 177.839 176.600 -0.084 0.000 0.986 654 E CA 0.550 56.913 56.400 -0.062 0.000 0.849 654 E CB 0.450 30.110 29.700 -0.066 0.000 0.797 654 E HN 0.246 nan 8.360 nan 0.000 0.482 655 Q N -0.769 118.884 119.800 -0.246 0.000 2.345 655 Q HA 0.408 4.747 4.340 -0.002 0.000 0.176 655 Q C 0.552 176.466 176.000 -0.142 0.000 0.723 655 Q CA 0.808 56.495 55.803 -0.194 0.000 0.743 655 Q CB 0.786 29.122 28.738 -0.670 0.000 1.260 655 Q HN 0.169 nan 8.270 nan 0.000 0.535 656 G N -0.928 107.804 108.800 -0.113 0.000 2.355 656 G HA2 0.420 4.379 3.960 -0.002 0.000 0.296 656 G HA3 0.420 4.379 3.960 -0.002 0.000 0.296 656 G C -0.196 174.790 174.900 0.143 0.000 1.507 656 G CA -0.069 45.017 45.100 -0.022 0.000 0.823 656 G HN 0.279 nan 8.290 nan 0.000 0.569 657 A N -0.011 122.853 122.820 0.073 0.000 1.841 657 A HA 0.092 4.411 4.320 -0.002 0.000 0.214 657 A C 1.891 179.598 177.584 0.205 0.000 1.195 657 A CA 2.503 54.627 52.037 0.145 0.000 0.611 657 A CB -0.532 18.476 19.000 0.012 0.000 0.835 657 A HN 0.577 nan 8.150 nan 0.000 0.443 658 D N 0.004 120.508 120.400 0.173 0.000 2.149 658 D HA -0.127 4.512 4.640 -0.002 0.000 0.198 658 D C 1.808 178.211 176.300 0.171 0.000 0.990 658 D CA 1.096 55.231 54.000 0.226 0.000 0.839 658 D CB -0.333 40.612 40.800 0.243 0.000 0.948 658 D HN 0.522 nan 8.370 nan 0.000 0.460 659 I N 1.012 121.651 120.570 0.116 0.000 2.179 659 I HA -0.262 3.907 4.170 -0.002 0.000 0.242 659 I C 2.474 178.733 176.117 0.237 0.000 1.088 659 I CA 1.092 62.441 61.300 0.081 0.000 1.357 659 I CB -0.150 37.779 38.000 -0.118 0.000 1.051 659 I HN -0.071 nan 8.210 nan 0.000 0.409 660 A N 0.818 123.870 122.820 0.387 0.000 1.877 660 A HA -0.208 4.111 4.320 -0.002 0.000 0.216 660 A C 2.379 180.133 177.584 0.284 0.000 1.186 660 A CA 1.530 53.794 52.037 0.378 0.000 0.620 660 A CB -0.583 18.653 19.000 0.393 0.000 0.822 660 A HN 0.298 nan 8.150 nan 0.000 0.443 661 R N -0.503 120.152 120.500 0.258 0.000 2.083 661 R HA -0.111 4.228 4.340 -0.002 0.000 0.237 661 R C 1.957 178.388 176.300 0.219 0.000 1.137 661 R CA 1.598 57.837 56.100 0.231 0.000 0.951 661 R CB -0.479 29.952 30.300 0.218 0.000 0.851 661 R HN 0.439 nan 8.270 nan 0.000 0.434 662 I N 0.745 121.438 120.570 0.205 0.000 2.286 662 I HA -0.209 3.960 4.170 -0.002 0.000 0.248 662 I C 2.082 178.298 176.117 0.165 0.000 1.115 662 I CA 1.582 62.998 61.300 0.194 0.000 1.392 662 I CB -1.351 36.770 38.000 0.202 0.000 1.065 662 I HN 0.209 nan 8.210 nan 0.000 0.418 663 T N 1.535 116.146 114.554 0.094 0.000 2.684 663 T HA -0.139 4.210 4.350 -0.002 0.000 0.267 663 T C 2.083 176.789 174.700 0.011 0.000 1.036 663 T CA 1.410 63.481 62.100 -0.048 0.000 1.148 663 T CB -0.207 68.416 68.868 -0.409 0.000 0.863 663 T HN 0.222 nan 8.240 nan 0.000 0.436 664 I N 0.494 121.140 120.570 0.127 0.000 2.163 664 I HA -0.089 4.080 4.170 -0.002 0.000 0.240 664 I C 2.232 178.446 176.117 0.162 0.000 1.081 664 I CA 1.163 62.573 61.300 0.184 0.000 1.353 664 I CB -0.333 37.812 38.000 0.241 0.000 1.054 664 I HN 0.174 nan 8.210 nan 0.000 0.407 665 L N -0.573 120.774 121.223 0.206 0.000 2.191 665 L HA -0.213 4.126 4.340 -0.002 0.000 0.212 665 L C 2.295 179.309 176.870 0.240 0.000 1.103 665 L CA 1.194 56.183 54.840 0.248 0.000 0.769 665 L CB -0.424 41.824 42.059 0.313 0.000 0.908 665 L HN 0.253 nan 8.230 nan 0.000 0.438 666 F N 0.124 120.090 119.950 0.026 0.000 2.746 666 F HA 0.247 4.774 4.527 -0.001 0.000 0.297 666 F C 2.226 178.011 175.800 -0.025 0.000 1.113 666 F CA 0.141 58.122 58.000 -0.031 0.000 1.367 666 F CB -0.112 38.837 39.000 -0.086 0.000 1.111 666 F HN -0.064 nan 8.300 nan 0.000 0.590 667 A N 0.998 123.773 122.820 -0.074 0.000 1.917 667 A HA 0.309 4.628 4.320 -0.002 0.000 0.219 667 A C 1.261 178.719 177.584 -0.211 0.000 1.182 667 A CA 1.544 53.488 52.037 -0.154 0.000 0.633 667 A CB -0.900 18.075 19.000 -0.041 0.000 0.819 667 A HN 0.605 nan 8.150 nan 0.000 0.448 668 A N -3.279 119.451 122.820 -0.149 0.000 2.490 668 A HA 0.576 4.895 4.320 -0.002 0.000 0.292 668 A C -3.210 174.330 177.584 -0.073 0.000 1.047 668 A CA -1.027 50.931 52.037 -0.131 0.000 0.632 668 A CB -0.265 18.680 19.000 -0.091 0.000 1.323 668 A HN -0.035 nan 8.150 nan 0.000 0.448 669 P HA 0.224 nan 4.420 nan 0.000 0.267 669 P C -2.011 175.271 177.300 -0.031 0.000 1.200 669 P CA -0.621 62.458 63.100 -0.036 0.000 0.772 669 P CB 0.302 31.977 31.700 -0.042 0.000 0.855 670 P HA -0.203 nan 4.420 nan 0.000 0.216 670 P C 1.298 178.559 177.300 -0.065 0.000 1.150 670 P CA 1.397 64.469 63.100 -0.047 0.000 0.837 670 P CB -0.217 31.468 31.700 -0.025 0.000 0.786 671 E N -0.904 119.276 120.200 -0.033 0.000 2.347 671 E HA -0.071 4.278 4.350 -0.002 0.000 0.196 671 E C 0.174 176.738 176.600 -0.060 0.000 1.008 671 E CA 0.755 57.126 56.400 -0.049 0.000 0.852 671 E CB -0.806 28.874 29.700 -0.034 0.000 0.783 671 E HN 0.228 nan 8.360 nan 0.000 0.505 672 N N 2.140 120.807 118.700 -0.054 0.000 2.493 672 N HA 0.080 4.819 4.740 -0.002 0.000 0.275 672 N C -0.325 175.151 175.510 -0.055 0.000 1.186 672 N CA -0.434 52.584 53.050 -0.053 0.000 0.978 672 N CB 0.851 39.309 38.487 -0.049 0.000 1.184 672 N HN 0.235 nan 8.380 nan 0.000 0.487 673 E N 0.043 120.212 120.200 -0.052 0.000 2.392 673 E HA 0.383 4.732 4.350 -0.002 0.000 0.259 673 E C -0.382 176.193 176.600 -0.042 0.000 1.108 673 E CA -0.403 55.968 56.400 -0.049 0.000 0.916 673 E CB 0.684 30.354 29.700 -0.050 0.000 0.989 673 E HN 0.576 nan 8.360 nan 0.000 0.432 674 M N -0.697 118.886 119.600 -0.029 0.000 2.575 674 M HA 0.585 5.064 4.480 -0.002 0.000 0.284 674 M C -1.662 174.644 176.300 0.009 0.000 1.253 674 M CA -1.258 54.035 55.300 -0.012 0.000 0.861 674 M CB 2.248 34.852 32.600 0.006 0.000 1.733 674 M HN 0.258 nan 8.290 nan 0.000 0.462 675 V N 1.914 121.842 119.914 0.024 0.000 2.384 675 V HA 0.346 4.465 4.120 -0.002 0.000 0.287 675 V C -0.948 175.239 176.094 0.154 0.000 1.020 675 V CA -0.344 61.989 62.300 0.055 0.000 0.850 675 V CB 1.568 33.394 31.823 0.005 0.000 0.987 675 V HN 0.904 nan 8.190 nan 0.000 0.436 676 W N 6.252 127.566 121.300 0.024 0.000 2.356 676 W HA 0.481 5.140 4.660 -0.002 0.000 0.311 676 W C -0.084 176.516 176.519 0.134 0.000 1.328 676 W CA 0.061 57.437 57.345 0.052 0.000 1.251 676 W CB 1.223 30.688 29.460 0.007 0.000 1.280 676 W HN 0.749 nan 8.180 nan 0.000 0.524 677 T N 1.800 116.269 114.554 -0.142 0.000 2.906 677 T HA 0.157 4.506 4.350 -0.002 0.000 0.295 677 T C 0.399 175.039 174.700 -0.101 0.000 1.075 677 T CA -0.605 61.519 62.100 0.039 0.000 1.005 677 T CB 2.132 71.075 68.868 0.125 0.000 1.136 677 T HN 0.388 nan 8.240 nan 0.000 0.498 678 E N 0.202 120.445 120.200 0.071 0.000 2.204 678 E HA -0.098 4.251 4.350 -0.002 0.000 0.194 678 E C 1.800 178.434 176.600 0.057 0.000 0.989 678 E CA 1.149 57.608 56.400 0.099 0.000 0.824 678 E CB -0.162 29.617 29.700 0.132 0.000 0.756 678 E HN 0.640 nan 8.360 nan 0.000 0.477 679 E N -0.622 119.597 120.200 0.031 0.000 2.106 679 E HA -0.082 4.267 4.350 -0.002 0.000 0.192 679 E C 1.931 178.552 176.600 0.035 0.000 0.984 679 E CA 1.133 57.554 56.400 0.035 0.000 0.806 679 E CB -0.492 29.225 29.700 0.028 0.000 0.750 679 E HN 0.408 nan 8.360 nan 0.000 0.458 680 G N 0.490 109.273 108.800 -0.029 0.000 2.403 680 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.216 680 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.216 680 G C 1.835 176.712 174.900 -0.037 0.000 1.154 680 G CA 0.743 45.813 45.100 -0.050 0.000 0.784 680 G HN 0.177 nan 8.290 nan 0.000 0.538 681 V N 0.581 120.449 119.914 -0.076 0.000 2.295 681 V HA -0.190 3.929 4.120 -0.002 0.000 0.246 681 V C 3.000 179.274 176.094 0.300 0.000 1.049 681 V CA 1.838 64.201 62.300 0.105 0.000 1.024 681 V CB -0.358 31.618 31.823 0.255 0.000 0.648 681 V HN 0.280 nan 8.190 nan 0.000 0.447 682 Q N 0.191 120.144 119.800 0.255 0.000 2.167 682 Q HA -0.095 4.244 4.340 -0.002 0.000 0.202 682 Q C 2.399 178.556 176.000 0.262 0.000 0.970 682 Q CA 1.726 57.698 55.803 0.281 0.000 0.855 682 Q CB -0.886 27.940 28.738 0.145 0.000 0.911 682 Q HN 0.685 nan 8.270 nan 0.000 0.438 683 G N 0.637 109.548 108.800 0.186 0.000 2.408 683 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.217 683 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.217 683 G C 1.550 176.566 174.900 0.194 0.000 1.150 683 G CA 1.050 46.249 45.100 0.165 0.000 0.776 683 G HN 0.449 nan 8.290 nan 0.000 0.542 684 A N 0.086 123.026 122.820 0.201 0.000 1.873 684 A HA -0.007 4.312 4.320 -0.002 0.000 0.215 684 A C 2.165 179.898 177.584 0.247 0.000 1.186 684 A CA 1.337 53.493 52.037 0.199 0.000 0.616 684 A CB -0.731 18.349 19.000 0.133 0.000 0.823 684 A HN 0.493 nan 8.150 nan 0.000 0.442 685 W N -0.315 121.094 121.300 0.182 0.000 2.335 685 W HA -0.171 4.488 4.660 -0.002 0.000 0.311 685 W C 2.694 179.307 176.519 0.156 0.000 1.213 685 W CA 1.964 59.425 57.345 0.193 0.000 1.274 685 W CB -0.128 29.429 29.460 0.161 0.000 1.148 685 W HN 0.260 nan 8.180 nan 0.000 0.498 686 R N -0.782 119.962 120.500 0.407 0.000 2.083 686 R HA -0.228 4.111 4.340 -0.002 0.000 0.237 686 R C 2.243 178.692 176.300 0.249 0.000 1.137 686 R CA 2.007 58.269 56.100 0.269 0.000 0.951 686 R CB -0.890 29.523 30.300 0.189 0.000 0.851 686 R HN 0.178 nan 8.270 nan 0.000 0.434 687 F N 0.993 120.979 119.950 0.060 0.000 2.102 687 F HA -0.126 4.400 4.527 -0.001 0.000 0.298 687 F C 1.651 177.456 175.800 0.009 0.000 1.105 687 F CA 1.449 59.449 58.000 0.000 0.000 1.239 687 F CB -0.438 38.514 39.000 -0.080 0.000 0.991 687 F HN -0.032 nan 8.300 nan 0.000 0.474 688 L N 0.061 121.169 121.223 -0.191 0.000 2.093 688 L HA -0.227 4.112 4.340 -0.002 0.000 0.208 688 L C 2.266 178.944 176.870 -0.320 0.000 1.085 688 L CA 1.122 55.672 54.840 -0.483 0.000 0.755 688 L CB -0.910 40.779 42.059 -0.617 0.000 0.904 688 L HN 0.143 nan 8.230 nan 0.000 0.435 689 N N 0.492 119.207 118.700 0.025 0.000 2.120 689 N HA -0.151 4.588 4.740 -0.002 0.000 0.188 689 N C 1.936 177.558 175.510 0.186 0.000 1.024 689 N CA 1.239 54.415 53.050 0.210 0.000 0.852 689 N CB -0.181 38.489 38.487 0.305 0.000 1.003 689 N HN 0.297 nan 8.380 nan 0.000 0.424 690 R N 0.211 120.787 120.500 0.125 0.000 2.115 690 R HA 0.115 4.454 4.340 -0.002 0.000 0.230 690 R C 2.155 178.562 176.300 0.179 0.000 1.111 690 R CA 0.572 56.778 56.100 0.176 0.000 0.976 690 R CB -0.116 30.251 30.300 0.113 0.000 0.870 690 R HN 0.258 nan 8.270 nan 0.000 0.445 691 I N -0.625 119.932 120.570 -0.022 0.000 2.233 691 I HA -0.285 3.884 4.170 -0.002 0.000 0.243 691 I C 2.152 178.262 176.117 -0.012 0.000 1.093 691 I CA 1.146 62.382 61.300 -0.106 0.000 1.380 691 I CB -0.276 37.568 38.000 -0.260 0.000 1.067 691 I HN 0.122 nan 8.210 nan 0.000 0.413 692 Y N 1.755 122.014 120.300 -0.069 0.000 2.145 692 Y HA -0.270 4.279 4.550 -0.002 0.000 0.286 692 Y C 2.818 178.807 175.900 0.147 0.000 1.145 692 Y CA 1.704 59.827 58.100 0.038 0.000 1.148 692 Y CB -0.275 38.257 38.460 0.119 0.000 0.981 692 Y HN -0.041 nan 8.280 nan 0.000 0.507 693 R N 0.020 120.744 120.500 0.374 0.000 2.081 693 R HA -0.223 4.116 4.340 -0.002 0.000 0.235 693 R C 2.380 178.780 176.300 0.167 0.000 1.131 693 R CA 1.625 57.916 56.100 0.318 0.000 0.960 693 R CB -0.249 30.253 30.300 0.336 0.000 0.856 693 R HN 0.213 nan 8.270 nan 0.000 0.436 694 R N 0.295 120.849 120.500 0.090 0.000 2.080 694 R HA -0.088 4.251 4.340 -0.002 0.000 0.236 694 R C 2.069 178.338 176.300 -0.052 0.000 1.137 694 R CA 1.986 57.997 56.100 -0.148 0.000 0.943 694 R CB -0.755 29.345 30.300 -0.332 0.000 0.846 694 R HN 0.147 nan 8.270 nan 0.000 0.431 695 V N 0.700 120.601 119.914 -0.022 0.000 2.453 695 V HA -0.106 4.013 4.120 -0.002 0.000 0.247 695 V C 2.368 178.611 176.094 0.249 0.000 1.048 695 V CA 1.724 64.074 62.300 0.084 0.000 1.049 695 V CB -0.948 30.890 31.823 0.025 0.000 0.672 695 V HN 0.516 nan 8.190 nan 0.000 0.457 696 A N -0.082 122.845 122.820 0.177 0.000 1.902 696 A HA -0.277 4.042 4.320 -0.002 0.000 0.217 696 A C 2.278 179.946 177.584 0.140 0.000 1.181 696 A CA 2.010 54.173 52.037 0.211 0.000 0.623 696 A CB -0.515 18.555 19.000 0.117 0.000 0.818 696 A HN 0.613 nan 8.150 nan 0.000 0.443 697 E N -0.408 119.860 120.200 0.114 0.000 2.153 697 E HA -0.196 4.153 4.350 -0.002 0.000 0.194 697 E C 0.366 177.003 176.600 0.062 0.000 0.988 697 E CA 1.367 57.813 56.400 0.077 0.000 0.811 697 E CB -0.004 29.730 29.700 0.057 0.000 0.746 697 E HN 0.520 nan 8.360 nan 0.000 0.466 698 D N -0.608 119.845 120.400 0.090 0.000 2.363 698 D HA 0.022 4.661 4.640 -0.002 0.000 0.214 698 D C 1.318 177.699 176.300 0.135 0.000 1.093 698 D CA -0.085 53.970 54.000 0.091 0.000 0.837 698 D CB 0.057 40.937 40.800 0.133 0.000 0.948 698 D HN 0.136 nan 8.370 nan 0.000 0.507 699 R N 1.333 121.951 120.500 0.196 0.000 2.094 699 R HA -0.196 4.143 4.340 -0.002 0.000 0.239 699 R C 1.908 178.319 176.300 0.185 0.000 1.137 699 R CA 1.581 57.862 56.100 0.302 0.000 0.943 699 R CB 0.068 30.443 30.300 0.124 0.000 0.850 699 R HN 0.130 nan 8.270 nan 0.000 0.433 700 E N -0.499 119.740 120.200 0.065 0.000 2.058 700 E HA -0.218 4.131 4.350 -0.002 0.000 0.194 700 E C 1.804 178.422 176.600 0.029 0.000 0.997 700 E CA 1.393 57.807 56.400 0.024 0.000 0.801 700 E CB -0.151 29.546 29.700 -0.004 0.000 0.746 700 E HN 0.504 nan 8.360 nan 0.000 0.450 701 A N 0.840 123.675 122.820 0.026 0.000 1.902 701 A HA -0.140 4.179 4.320 -0.002 0.000 0.217 701 A C 2.210 179.796 177.584 0.003 0.000 1.181 701 A CA 1.093 53.135 52.037 0.008 0.000 0.623 701 A CB -0.673 18.326 19.000 -0.002 0.000 0.818 701 A HN 0.314 nan 8.150 nan 0.000 0.443 702 L N -0.644 120.579 121.223 -0.000 0.000 2.079 702 L HA -0.205 4.134 4.340 -0.002 0.000 0.210 702 L C 2.535 179.348 176.870 -0.095 0.000 1.081 702 L CA 1.090 55.858 54.840 -0.121 0.000 0.752 702 L CB -0.487 41.334 42.059 -0.395 0.000 0.896 702 L HN 0.386 nan 8.230 nan 0.000 0.433 703 L N -0.153 121.096 121.223 0.044 0.000 2.083 703 L HA -0.206 4.133 4.340 -0.002 0.000 0.209 703 L C 2.237 179.099 176.870 -0.013 0.000 1.083 703 L CA 1.398 56.265 54.840 0.045 0.000 0.752 703 L CB -0.425 41.666 42.059 0.053 0.000 0.899 703 L HN 0.434 nan 8.230 nan 0.000 0.433 704 E N -1.443 118.750 120.200 -0.011 0.000 2.437 704 E HA 0.071 4.420 4.350 -0.002 0.000 0.189 704 E C -0.083 176.509 176.600 -0.013 0.000 1.054 704 E CA -0.041 56.351 56.400 -0.013 0.000 0.874 704 E CB 0.003 29.697 29.700 -0.010 0.000 1.011 704 E HN 0.192 nan 8.360 nan 0.000 0.474 705 T N 0.540 115.081 114.554 -0.022 0.000 2.855 705 T HA 0.297 4.646 4.350 -0.002 0.000 0.281 705 T C -0.560 174.138 174.700 -0.004 0.000 1.007 705 T CA -0.702 61.392 62.100 -0.009 0.000 1.009 705 T CB 1.891 70.755 68.868 -0.006 0.000 0.983 705 T HN 0.048 nan 8.240 nan 0.000 0.455 706 S N 0.559 116.275 115.700 0.027 0.000 2.616 706 S HA 0.558 5.027 4.470 -0.002 0.000 0.277 706 S C 1.350 176.005 174.600 0.092 0.000 1.234 706 S CA -0.439 57.792 58.200 0.052 0.000 1.028 706 S CB 0.782 64.016 63.200 0.057 0.000 0.988 706 S HN 0.889 nan 8.310 nan 0.000 0.522 707 G N 1.849 110.727 108.800 0.131 0.000 3.042 707 G HA2 0.218 4.177 3.960 -0.002 0.000 0.212 707 G HA3 0.218 4.177 3.960 -0.002 0.000 0.212 707 G C -0.024 175.039 174.900 0.273 0.000 1.166 707 G CA -0.059 45.157 45.100 0.194 0.000 0.767 707 G HN 0.603 nan 8.290 nan 0.000 0.546 708 V N 1.841 121.865 119.914 0.184 0.000 2.488 708 V HA 0.586 4.706 4.120 -0.002 0.000 0.277 708 V C -0.143 176.074 176.094 0.206 0.000 1.046 708 V CA -0.225 62.145 62.300 0.116 0.000 0.986 708 V CB -0.213 31.639 31.823 0.049 0.000 0.989 708 V HN 0.346 nan 8.190 nan 0.000 0.475 709 F N 2.444 122.389 119.950 -0.009 0.000 2.779 709 F HA 0.727 5.253 4.527 -0.002 0.000 0.316 709 F C -0.939 174.826 175.800 -0.058 0.000 1.164 709 F CA -1.521 56.460 58.000 -0.031 0.000 0.924 709 F CB 2.008 40.985 39.000 -0.037 0.000 1.348 709 F HN 0.283 nan 8.300 nan 0.000 0.467 710 Q N 1.572 121.400 119.800 0.046 0.000 2.394 710 Q HA 0.686 5.025 4.340 -0.002 0.000 0.259 710 Q C 0.548 176.550 176.000 0.004 0.000 1.021 710 Q CA 0.070 55.825 55.803 -0.081 0.000 0.805 710 Q CB 1.652 30.373 28.738 -0.029 0.000 1.226 710 Q HN 0.960 nan 8.270 nan 0.000 0.476 711 A N 3.810 126.526 122.820 -0.175 0.000 1.903 711 A HA -0.264 4.055 4.320 -0.002 0.000 0.219 711 A C 1.449 178.947 177.584 -0.143 0.000 1.191 711 A CA 2.121 54.003 52.037 -0.260 0.000 0.638 711 A CB -0.351 18.327 19.000 -0.537 0.000 0.823 711 A HN 0.827 nan 8.150 nan 0.000 0.451 712 E N -0.177 119.969 120.200 -0.089 0.000 2.153 712 E HA -0.013 4.336 4.350 -0.002 0.000 0.194 712 E C 1.947 178.536 176.600 -0.017 0.000 0.988 712 E CA 1.191 57.567 56.400 -0.041 0.000 0.811 712 E CB -0.377 29.304 29.700 -0.031 0.000 0.746 712 E HN 0.619 nan 8.360 nan 0.000 0.466 713 A N 0.297 123.113 122.820 -0.007 0.000 2.238 713 A HA 0.101 4.420 4.320 -0.002 0.000 0.208 713 A C 0.619 178.213 177.584 0.017 0.000 1.177 713 A CA 0.004 52.047 52.037 0.010 0.000 0.804 713 A CB -0.274 18.738 19.000 0.020 0.000 0.823 713 A HN 0.099 nan 8.150 nan 0.000 0.482 714 L N 0.933 122.162 121.223 0.010 0.000 2.397 714 L HA 0.330 4.669 4.340 -0.002 0.000 0.271 714 L C 0.453 177.334 176.870 0.019 0.000 1.148 714 L CA -0.286 54.559 54.840 0.007 0.000 0.825 714 L CB 0.715 42.761 42.059 -0.022 0.000 1.117 714 L HN 0.590 nan 8.230 nan 0.000 0.456 715 E N 1.013 121.228 120.200 0.025 0.000 2.445 715 E HA 0.692 5.042 4.350 -0.002 0.000 0.273 715 E C 0.280 176.904 176.600 0.039 0.000 0.961 715 E CA -0.565 55.853 56.400 0.030 0.000 0.807 715 E CB 1.345 31.056 29.700 0.018 0.000 1.362 715 E HN 0.611 nan 8.360 nan 0.000 0.453 716 G N 1.511 110.333 108.800 0.037 0.000 2.627 716 G HA2 -0.434 3.525 3.960 -0.002 0.000 0.312 716 G HA3 -0.434 3.525 3.960 -0.002 0.000 0.312 716 G C 0.691 175.630 174.900 0.066 0.000 1.299 716 G CA 0.790 45.912 45.100 0.037 0.000 0.989 716 G HN 0.620 nan 8.290 nan 0.000 0.547 717 K N 0.120 120.557 120.400 0.061 0.000 2.209 717 K HA -0.084 4.235 4.320 -0.002 0.000 0.204 717 K C 2.171 178.923 176.600 0.252 0.000 1.048 717 K CA 1.552 57.914 56.287 0.124 0.000 0.940 717 K CB -0.233 32.287 32.500 0.033 0.000 0.729 717 K HN 0.472 nan 8.250 nan 0.000 0.451 718 D N 0.127 120.655 120.400 0.212 0.000 2.117 718 D HA -0.167 4.472 4.640 -0.002 0.000 0.197 718 D C 1.840 178.220 176.300 0.133 0.000 0.987 718 D CA 1.115 55.243 54.000 0.213 0.000 0.829 718 D CB -0.054 40.803 40.800 0.096 0.000 0.961 718 D HN 0.133 nan 8.370 nan 0.000 0.460 719 R N 0.651 121.221 120.500 0.116 0.000 2.115 719 R HA -0.067 4.272 4.340 -0.002 0.000 0.226 719 R C 2.035 178.447 176.300 0.186 0.000 1.100 719 R CA 0.960 57.142 56.100 0.136 0.000 0.980 719 R CB 0.079 30.436 30.300 0.095 0.000 0.875 719 R HN 0.164 nan 8.270 nan 0.000 0.445 720 E N 0.211 120.508 120.200 0.162 0.000 2.072 720 E HA -0.213 4.136 4.350 -0.002 0.000 0.191 720 E C 1.853 178.562 176.600 0.182 0.000 0.985 720 E CA 1.022 57.518 56.400 0.160 0.000 0.801 720 E CB -0.001 29.785 29.700 0.144 0.000 0.750 720 E HN 0.261 nan 8.360 nan 0.000 0.452 721 L N 0.359 121.694 121.223 0.186 0.000 2.046 721 L HA -0.175 4.164 4.340 -0.002 0.000 0.208 721 L C 2.243 179.211 176.870 0.164 0.000 1.077 721 L CA 1.727 56.647 54.840 0.134 0.000 0.747 721 L CB -0.797 41.203 42.059 -0.097 0.000 0.896 721 L HN 0.240 nan 8.230 nan 0.000 0.432 722 Y N 0.226 120.554 120.300 0.047 0.000 2.165 722 Y HA -0.162 4.387 4.550 -0.002 0.000 0.286 722 Y C 2.267 178.271 175.900 0.173 0.000 1.155 722 Y CA 1.843 60.002 58.100 0.097 0.000 1.164 722 Y CB -0.835 37.692 38.460 0.112 0.000 0.978 722 Y HN 0.221 nan 8.280 nan 0.000 0.513 723 G N -0.168 108.745 108.800 0.188 0.000 2.421 723 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.216 723 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.216 723 G C 1.704 176.634 174.900 0.050 0.000 1.171 723 G CA 0.947 46.108 45.100 0.102 0.000 0.775 723 G HN 0.372 nan 8.290 nan 0.000 0.543 724 K N -0.405 120.056 120.400 0.100 0.000 2.097 724 K HA -0.007 4.312 4.320 -0.002 0.000 0.206 724 K C 2.361 178.909 176.600 -0.086 0.000 1.049 724 K CA 0.874 57.231 56.287 0.116 0.000 0.933 724 K CB -0.258 32.418 32.500 0.294 0.000 0.717 724 K HN 0.279 nan 8.250 nan 0.000 0.442 725 L N 0.731 121.862 121.223 -0.154 0.000 1.994 725 L HA -0.192 4.147 4.340 -0.002 0.000 0.208 725 L C 1.844 178.365 176.870 -0.581 0.000 1.071 725 L CA 2.010 56.495 54.840 -0.593 0.000 0.745 725 L CB -0.543 41.288 42.059 -0.382 0.000 0.892 725 L HN 0.172 nan 8.230 nan 0.000 0.431 726 H N -0.550 118.318 119.070 -0.336 0.000 2.428 726 H HA -0.038 4.517 4.556 -0.002 0.000 0.296 726 H C 2.112 177.340 175.328 -0.167 0.000 1.062 726 H CA 1.503 57.405 56.048 -0.242 0.000 1.350 726 H CB 0.105 29.705 29.762 -0.270 0.000 1.403 726 H HN 0.510 nan 8.280 nan 0.000 0.533 727 E N -0.397 119.767 120.200 -0.059 0.000 2.106 727 E HA -0.130 4.219 4.350 -0.002 0.000 0.192 727 E C 1.848 178.395 176.600 -0.089 0.000 0.984 727 E CA 1.533 57.911 56.400 -0.036 0.000 0.806 727 E CB 0.010 29.706 29.700 -0.005 0.000 0.750 727 E HN 0.410 nan 8.360 nan 0.000 0.458 728 T N 1.808 116.237 114.554 -0.209 0.000 2.777 728 T HA -0.136 4.213 4.350 -0.002 0.000 0.266 728 T C 1.857 176.429 174.700 -0.214 0.000 1.040 728 T CA 0.785 62.732 62.100 -0.254 0.000 1.141 728 T CB -0.238 68.295 68.868 -0.559 0.000 0.868 728 T HN 0.037 nan 8.240 nan 0.000 0.444 729 L N 1.591 122.656 121.223 -0.263 0.000 2.042 729 L HA -0.028 4.311 4.340 -0.002 0.000 0.210 729 L C 2.303 179.159 176.870 -0.025 0.000 1.076 729 L CA 1.888 56.614 54.840 -0.190 0.000 0.749 729 L CB -0.562 41.344 42.059 -0.255 0.000 0.893 729 L HN 0.107 nan 8.230 nan 0.000 0.432 730 K N -0.485 119.909 120.400 -0.009 0.000 2.026 730 K HA -0.207 4.112 4.320 -0.002 0.000 0.208 730 K C 2.163 178.787 176.600 0.041 0.000 1.048 730 K CA 1.630 57.944 56.287 0.045 0.000 0.929 730 K CB -0.088 32.435 32.500 0.038 0.000 0.713 730 K HN 0.326 nan 8.250 nan 0.000 0.439 731 K N 0.263 120.669 120.400 0.009 0.000 2.032 731 K HA -0.120 4.199 4.320 -0.002 0.000 0.209 731 K C 2.071 178.681 176.600 0.017 0.000 1.048 731 K CA 1.597 57.889 56.287 0.010 0.000 0.927 731 K CB -0.122 32.375 32.500 -0.004 0.000 0.712 731 K HN 0.006 nan 8.250 nan 0.000 0.441 732 V N 1.252 121.177 119.914 0.018 0.000 2.358 732 V HA -0.235 3.884 4.120 -0.002 0.000 0.246 732 V C 2.173 178.307 176.094 0.066 0.000 1.047 732 V CA 2.085 64.414 62.300 0.049 0.000 1.035 732 V CB -0.620 31.243 31.823 0.067 0.000 0.658 732 V HN 0.408 nan 8.190 nan 0.000 0.452 733 T N -0.215 114.431 114.554 0.153 0.000 2.708 733 T HA -0.191 4.158 4.350 -0.002 0.000 0.266 733 T C 1.784 176.490 174.700 0.010 0.000 1.037 733 T CA 1.707 63.894 62.100 0.145 0.000 1.146 733 T CB -0.240 68.847 68.868 0.365 0.000 0.865 733 T HN 0.606 nan 8.240 nan 0.000 0.435 734 E N 0.814 121.041 120.200 0.044 0.000 2.152 734 E HA -0.113 4.236 4.350 -0.002 0.000 0.192 734 E C 1.907 178.506 176.600 -0.002 0.000 0.983 734 E CA 0.842 57.258 56.400 0.026 0.000 0.818 734 E CB -0.089 29.632 29.700 0.034 0.000 0.758 734 E HN 0.400 nan 8.360 nan 0.000 0.467 735 D N 0.898 121.298 120.400 0.000 0.000 2.144 735 D HA -0.094 4.546 4.640 -0.002 0.000 0.200 735 D C 2.047 178.376 176.300 0.047 0.000 0.978 735 D CA 0.683 54.698 54.000 0.025 0.000 0.833 735 D CB -0.067 40.761 40.800 0.048 0.000 0.961 735 D HN 0.137 nan 8.370 nan 0.000 0.470 736 L N 0.800 121.973 121.223 -0.083 0.000 2.027 736 L HA -0.132 4.207 4.340 -0.002 0.000 0.206 736 L C 2.247 179.072 176.870 -0.074 0.000 1.074 736 L CA 1.140 55.853 54.840 -0.212 0.000 0.745 736 L CB -0.251 41.137 42.059 -1.120 0.000 0.898 736 L HN -0.005 nan 8.230 nan 0.000 0.433 737 E N -0.128 120.023 120.200 -0.082 0.000 2.204 737 E HA -0.147 4.202 4.350 -0.002 0.000 0.194 737 E C 1.823 178.398 176.600 -0.041 0.000 0.989 737 E CA 0.943 57.363 56.400 0.032 0.000 0.824 737 E CB -0.058 29.689 29.700 0.079 0.000 0.756 737 E HN 0.473 nan 8.360 nan 0.000 0.477 738 A N 0.495 123.279 122.820 -0.059 0.000 2.275 738 A HA 0.183 4.502 4.320 -0.002 0.000 0.212 738 A C 1.081 178.534 177.584 -0.218 0.000 1.201 738 A CA -0.126 51.845 52.037 -0.109 0.000 0.843 738 A CB -0.203 18.759 19.000 -0.063 0.000 0.873 738 A HN 0.275 nan 8.150 nan 0.000 0.492 739 L N -1.771 119.299 121.223 -0.255 0.000 4.291 739 L HA -0.217 4.122 4.340 -0.002 0.000 0.413 739 L C 0.269 176.888 176.870 -0.418 0.000 1.162 739 L CA 0.384 54.840 54.840 -0.639 0.000 0.961 739 L CB -1.549 39.789 42.059 -1.201 0.000 2.095 739 L HN 0.465 nan 8.230 nan 0.000 0.838 740 R N 0.292 120.755 120.500 -0.061 0.000 4.071 740 R HA 0.205 4.544 4.340 -0.002 0.000 0.220 740 R C 0.874 177.332 176.300 0.263 0.000 1.614 740 R CA -0.542 55.580 56.100 0.036 0.000 1.505 740 R CB 0.054 30.367 30.300 0.022 0.000 1.384 740 R HN 0.070 nan 8.270 nan 0.000 0.758 741 F N 1.505 121.514 119.950 0.098 0.000 2.171 741 F HA -0.225 4.301 4.527 -0.001 0.000 0.300 741 F C 2.302 178.154 175.800 0.087 0.000 1.090 741 F CA 0.967 59.068 58.000 0.168 0.000 1.293 741 F CB -0.659 38.498 39.000 0.263 0.000 1.013 741 F HN 0.402 nan 8.300 nan 0.000 0.486 742 N N 0.486 119.334 118.700 0.246 0.000 2.142 742 N HA -0.181 4.558 4.740 -0.002 0.000 0.186 742 N C 1.511 177.098 175.510 0.129 0.000 1.023 742 N CA 2.151 55.294 53.050 0.154 0.000 0.852 742 N CB -1.548 36.948 38.487 0.016 0.000 0.998 742 N HN 0.358 nan 8.380 nan 0.000 0.424 743 T N -2.278 112.324 114.554 0.080 0.000 2.951 743 T HA 0.253 4.602 4.350 -0.002 0.000 0.268 743 T C 2.121 176.827 174.700 0.010 0.000 1.073 743 T CA 0.943 63.074 62.100 0.051 0.000 1.134 743 T CB -0.412 68.475 68.868 0.031 0.000 0.884 743 T HN 0.352 nan 8.240 nan 0.000 0.479 744 A N 1.709 124.524 122.820 -0.010 0.000 1.898 744 A HA 0.155 4.474 4.320 -0.002 0.000 0.216 744 A C 2.354 179.748 177.584 -0.316 0.000 1.181 744 A CA 1.133 53.102 52.037 -0.113 0.000 0.620 744 A CB -0.774 18.203 19.000 -0.039 0.000 0.819 744 A HN 0.569 nan 8.150 nan 0.000 0.442 745 I N -0.321 120.002 120.570 -0.412 0.000 2.315 745 I HA -0.250 3.919 4.170 -0.002 0.000 0.248 745 I C 2.935 178.822 176.117 -0.383 0.000 1.117 745 I CA 0.903 61.893 61.300 -0.516 0.000 1.404 745 I CB -0.327 37.416 38.000 -0.429 0.000 1.071 745 I HN 0.370 nan 8.210 nan 0.000 0.419 746 A N 0.894 123.644 122.820 -0.117 0.000 1.902 746 A HA -0.168 4.151 4.320 -0.002 0.000 0.217 746 A C 2.559 180.104 177.584 -0.064 0.000 1.181 746 A CA 1.825 53.843 52.037 -0.031 0.000 0.623 746 A CB -0.760 18.330 19.000 0.150 0.000 0.818 746 A HN 0.423 nan 8.150 nan 0.000 0.443 747 A N -0.358 122.433 122.820 -0.049 0.000 1.933 747 A HA -0.030 4.289 4.320 -0.002 0.000 0.218 747 A C 2.144 179.752 177.584 0.040 0.000 1.175 747 A CA 1.471 53.506 52.037 -0.004 0.000 0.628 747 A CB -0.539 18.447 19.000 -0.023 0.000 0.814 747 A HN 0.481 nan 8.150 nan 0.000 0.444 748 L N -1.349 119.853 121.223 -0.034 0.000 2.109 748 L HA -0.149 4.190 4.340 -0.002 0.000 0.207 748 L C 2.788 179.834 176.870 0.294 0.000 1.086 748 L CA 1.182 56.086 54.840 0.106 0.000 0.760 748 L CB -0.450 41.582 42.059 -0.044 0.000 0.910 748 L HN 0.430 nan 8.230 nan 0.000 0.437 749 M N -0.718 118.861 119.600 -0.035 0.000 2.132 749 M HA -0.213 4.266 4.480 -0.002 0.000 0.263 749 M C 2.172 178.532 176.300 0.100 0.000 1.065 749 M CA 1.615 56.878 55.300 -0.062 0.000 1.122 749 M CB -0.350 31.979 32.600 -0.452 0.000 1.365 749 M HN 0.191 nan 8.290 nan 0.000 0.411 750 E N 0.223 120.477 120.200 0.090 0.000 2.077 750 E HA -0.213 4.136 4.350 -0.002 0.000 0.193 750 E C 1.788 178.521 176.600 0.221 0.000 0.989 750 E CA 1.210 57.687 56.400 0.128 0.000 0.800 750 E CB -0.022 29.744 29.700 0.111 0.000 0.746 750 E HN 0.391 nan 8.360 nan 0.000 0.452 751 F N 0.825 120.858 119.950 0.139 0.000 2.234 751 F HA -0.101 4.425 4.527 -0.002 0.000 0.299 751 F C 1.878 177.792 175.800 0.191 0.000 1.087 751 F CA 0.697 58.798 58.000 0.170 0.000 1.340 751 F CB -0.193 38.931 39.000 0.205 0.000 1.031 751 F HN 0.110 nan 8.300 nan 0.000 0.500 752 L N 0.902 122.241 121.223 0.194 0.000 2.046 752 L HA -0.212 4.127 4.340 -0.002 0.000 0.208 752 L C 2.019 178.950 176.870 0.101 0.000 1.077 752 L CA 1.843 56.698 54.840 0.025 0.000 0.747 752 L CB -1.187 41.008 42.059 0.226 0.000 0.896 752 L HN 0.026 nan 8.230 nan 0.000 0.432 753 N N 0.271 119.043 118.700 0.119 0.000 2.166 753 N HA -0.122 4.617 4.740 -0.002 0.000 0.186 753 N C 1.838 177.402 175.510 0.091 0.000 1.019 753 N CA 1.501 54.620 53.050 0.114 0.000 0.856 753 N CB -0.484 38.042 38.487 0.065 0.000 0.993 753 N HN 0.530 nan 8.380 nan 0.000 0.426 754 A N 0.988 123.810 122.820 0.004 0.000 1.972 754 A HA -0.028 4.291 4.320 -0.002 0.000 0.219 754 A C 2.343 179.877 177.584 -0.085 0.000 1.169 754 A CA 0.785 52.806 52.037 -0.027 0.000 0.635 754 A CB -0.585 18.396 19.000 -0.032 0.000 0.810 754 A HN 0.208 nan 8.150 nan 0.000 0.446 755 L N -2.392 118.687 121.223 -0.240 0.000 2.093 755 L HA -0.173 4.166 4.340 -0.002 0.000 0.208 755 L C 2.518 179.384 176.870 -0.007 0.000 1.085 755 L CA 1.293 56.022 54.840 -0.184 0.000 0.755 755 L CB -0.553 41.283 42.059 -0.371 0.000 0.904 755 L HN 0.457 nan 8.230 nan 0.000 0.435 756 Y N 0.213 120.497 120.300 -0.027 0.000 2.200 756 Y HA -0.199 4.350 4.550 -0.001 0.000 0.290 756 Y C 2.771 178.677 175.900 0.010 0.000 1.137 756 Y CA 1.099 59.200 58.100 0.002 0.000 1.163 756 Y CB 0.009 38.467 38.460 -0.005 0.000 0.988 756 Y HN 0.117 nan 8.280 nan 0.000 0.518 757 E N -0.734 119.569 120.200 0.171 0.000 2.077 757 E HA -0.260 4.089 4.350 -0.002 0.000 0.193 757 E C 1.996 178.638 176.600 0.071 0.000 0.989 757 E CA 1.325 57.786 56.400 0.101 0.000 0.800 757 E CB -0.894 28.859 29.700 0.089 0.000 0.746 757 E HN 0.619 nan 8.360 nan 0.000 0.452 758 Y N 1.931 122.208 120.300 -0.037 0.000 2.128 758 Y HA -0.190 4.359 4.550 -0.002 0.000 0.284 758 Y C 2.081 177.899 175.900 -0.136 0.000 1.154 758 Y CA 1.686 59.744 58.100 -0.070 0.000 1.149 758 Y CB 0.096 38.521 38.460 -0.058 0.000 0.976 758 Y HN -0.131 nan 8.280 nan 0.000 0.505 759 R N 0.936 121.393 120.500 -0.072 0.000 2.328 759 R HA -0.079 4.260 4.340 -0.002 0.000 0.207 759 R C 1.860 178.039 176.300 -0.200 0.000 1.056 759 R CA 0.852 56.809 56.100 -0.239 0.000 1.016 759 R CB -0.283 29.875 30.300 -0.237 0.000 0.872 759 R HN 0.495 nan 8.270 nan 0.000 0.471 760 K N 0.217 120.538 120.400 -0.132 0.000 2.103 760 K HA -0.084 4.235 4.320 -0.002 0.000 0.204 760 K C 1.033 177.547 176.600 -0.144 0.000 1.052 760 K CA 1.220 57.450 56.287 -0.095 0.000 0.945 760 K CB 0.190 32.664 32.500 -0.042 0.000 0.722 760 K HN 0.113 nan 8.250 nan 0.000 0.443 761 D N -0.467 119.804 120.400 -0.214 0.000 2.379 761 D HA 0.029 4.668 4.640 -0.002 0.000 0.218 761 D C 0.546 176.658 176.300 -0.312 0.000 1.006 761 D CA 0.545 54.409 54.000 -0.227 0.000 0.893 761 D CB 0.534 41.214 40.800 -0.201 0.000 1.019 761 D HN -0.034 nan 8.370 nan 0.000 0.503 762 R N 0.997 121.183 120.500 -0.522 0.000 2.832 762 R HA 0.472 4.811 4.340 -0.002 0.000 0.271 762 R C -2.289 173.744 176.300 -0.446 0.000 0.996 762 R CA -1.686 54.076 56.100 -0.564 0.000 0.977 762 R CB 1.531 31.230 30.300 -1.001 0.000 1.168 762 R HN 0.014 nan 8.270 nan 0.000 0.482 763 P HA 0.207 nan 4.420 nan 0.000 0.306 763 P C -0.316 176.864 177.300 -0.199 0.000 1.309 763 P CA -0.534 62.441 63.100 -0.210 0.000 0.759 763 P CB 0.622 32.245 31.700 -0.129 0.000 1.314 764 V N 0.980 120.793 119.914 -0.168 0.000 2.421 764 V HA 0.149 4.268 4.120 -0.002 0.000 0.271 764 V C 1.053 177.160 176.094 0.022 0.000 1.031 764 V CA 0.593 62.835 62.300 -0.095 0.000 1.032 764 V CB -0.574 31.243 31.823 -0.010 0.000 1.009 764 V HN 0.752 nan 8.190 nan 0.000 0.477 765 T N 3.329 117.945 114.554 0.103 0.000 2.940 765 T HA 0.502 4.851 4.350 -0.002 0.000 0.288 765 T C -2.025 172.707 174.700 0.052 0.000 1.045 765 T CA -2.190 59.952 62.100 0.070 0.000 1.018 765 T CB 2.135 71.049 68.868 0.077 0.000 1.151 765 T HN 0.250 nan 8.240 nan 0.000 0.529 766 P HA -0.097 nan 4.420 nan 0.000 0.215 766 P C 1.748 178.978 177.300 -0.117 0.000 1.153 766 P CA 0.499 63.614 63.100 0.025 0.000 0.853 766 P CB -0.104 31.664 31.700 0.112 0.000 0.788 767 V N -1.533 118.117 119.914 -0.439 0.000 2.490 767 V HA -0.247 3.872 4.120 -0.002 0.000 0.250 767 V C 2.132 178.030 176.094 -0.327 0.000 1.061 767 V CA 1.637 63.474 62.300 -0.773 0.000 1.064 767 V CB -1.100 30.201 31.823 -0.870 0.000 0.670 767 V HN 0.037 nan 8.190 nan 0.000 0.461 768 Y N 1.395 121.503 120.300 -0.320 0.000 2.220 768 Y HA -0.146 4.403 4.550 -0.002 0.000 0.291 768 Y C 2.680 178.467 175.900 -0.189 0.000 1.129 768 Y CA 2.279 60.193 58.100 -0.311 0.000 1.161 768 Y CB -0.351 37.987 38.460 -0.204 0.000 0.997 768 Y HN 0.230 nan 8.280 nan 0.000 0.522 769 R N -0.647 119.783 120.500 -0.116 0.000 2.091 769 R HA -0.149 4.190 4.340 -0.002 0.000 0.238 769 R C 1.901 178.148 176.300 -0.087 0.000 1.136 769 R CA 2.068 58.084 56.100 -0.140 0.000 0.959 769 R CB -0.475 29.807 30.300 -0.030 0.000 0.856 769 R HN 0.304 nan 8.270 nan 0.000 0.437 770 T N 0.413 114.925 114.554 -0.069 0.000 2.821 770 T HA -0.048 4.301 4.350 -0.002 0.000 0.267 770 T C 1.737 176.287 174.700 -0.250 0.000 1.046 770 T CA 1.163 63.206 62.100 -0.095 0.000 1.139 770 T CB -0.170 68.712 68.868 0.023 0.000 0.871 770 T HN 0.463 nan 8.240 nan 0.000 0.454 771 A N 1.590 124.260 122.820 -0.249 0.000 1.902 771 A HA -0.027 4.292 4.320 -0.002 0.000 0.217 771 A C 2.183 179.743 177.584 -0.039 0.000 1.181 771 A CA 1.009 52.963 52.037 -0.140 0.000 0.623 771 A CB -0.558 18.371 19.000 -0.119 0.000 0.818 771 A HN 0.384 nan 8.150 nan 0.000 0.443 772 I N -0.452 119.983 120.570 -0.226 0.000 2.252 772 I HA -0.173 3.996 4.170 -0.002 0.000 0.245 772 I C 2.506 178.678 176.117 0.093 0.000 1.102 772 I CA 1.558 62.778 61.300 -0.133 0.000 1.385 772 I CB -1.212 36.606 38.000 -0.304 0.000 1.064 772 I HN 0.427 nan 8.210 nan 0.000 0.414 773 R N 0.006 120.534 120.500 0.047 0.000 2.070 773 R HA -0.224 4.115 4.340 -0.002 0.000 0.233 773 R C 2.512 178.887 176.300 0.124 0.000 1.137 773 R CA 1.704 57.738 56.100 -0.108 0.000 0.945 773 R CB -0.296 29.787 30.300 -0.362 0.000 0.845 773 R HN 0.151 nan 8.270 nan 0.000 0.430 774 Y N -0.565 119.663 120.300 -0.121 0.000 2.224 774 Y HA -0.248 4.301 4.550 -0.002 0.000 0.289 774 Y C 2.076 177.877 175.900 -0.164 0.000 1.146 774 Y CA 1.018 58.994 58.100 -0.207 0.000 1.182 774 Y CB -0.982 37.324 38.460 -0.256 0.000 0.983 774 Y HN 0.192 nan 8.280 nan 0.000 0.524 775 Y N 0.117 120.458 120.300 0.068 0.000 2.128 775 Y HA -0.263 4.286 4.550 -0.001 0.000 0.284 775 Y C 2.223 178.141 175.900 0.031 0.000 1.154 775 Y CA 1.687 59.828 58.100 0.070 0.000 1.149 775 Y CB -0.540 37.995 38.460 0.126 0.000 0.976 775 Y HN 0.007 nan 8.280 nan 0.000 0.505 776 L N -0.402 120.964 121.223 0.238 0.000 2.083 776 L HA -0.263 4.076 4.340 -0.002 0.000 0.209 776 L C 2.400 179.234 176.870 -0.059 0.000 1.083 776 L CA 1.478 56.421 54.840 0.171 0.000 0.752 776 L CB -0.661 41.607 42.059 0.347 0.000 0.899 776 L HN 0.321 nan 8.230 nan 0.000 0.433 777 Q N -0.440 119.238 119.800 -0.203 0.000 2.079 777 Q HA -0.164 4.175 4.340 -0.002 0.000 0.200 777 Q C 2.333 178.139 176.000 -0.324 0.000 0.974 777 Q CA 1.420 56.976 55.803 -0.411 0.000 0.840 777 Q CB -0.100 28.298 28.738 -0.566 0.000 0.898 777 Q HN 0.518 nan 8.270 nan 0.000 0.430 778 M N -0.072 119.282 119.600 -0.410 0.000 2.296 778 M HA -0.125 4.354 4.480 -0.002 0.000 0.265 778 M C 1.976 178.314 176.300 0.064 0.000 1.064 778 M CA 0.824 55.953 55.300 -0.285 0.000 1.109 778 M CB -0.062 32.314 32.600 -0.373 0.000 1.396 778 M HN 0.201 nan 8.290 nan 0.000 0.430 779 L N -0.426 120.783 121.223 -0.023 0.000 2.240 779 L HA -0.036 4.303 4.340 -0.002 0.000 0.211 779 L C 2.009 178.984 176.870 0.175 0.000 1.106 779 L CA 1.217 56.134 54.840 0.129 0.000 0.793 779 L CB -0.630 41.453 42.059 0.041 0.000 0.927 779 L HN 0.102 nan 8.230 nan 0.000 0.446 780 F N 1.712 121.590 119.950 -0.119 0.000 2.087 780 F HA -0.187 4.339 4.527 -0.001 0.000 0.299 780 F C -0.608 174.984 175.800 -0.347 0.000 1.100 780 F CA 1.965 59.810 58.000 -0.259 0.000 1.226 780 F CB -1.699 37.061 39.000 -0.400 0.000 0.983 780 F HN 0.184 nan 8.300 nan 0.000 0.479 781 P HA -0.143 nan 4.420 nan 0.000 0.218 781 P C 1.315 178.127 177.300 -0.812 0.000 1.149 781 P CA 1.721 64.341 63.100 -0.799 0.000 0.817 781 P CB -0.192 30.938 31.700 -0.950 0.000 0.785 782 F N -0.641 119.177 119.950 -0.220 0.000 2.188 782 F HA 0.249 4.775 4.527 -0.002 0.000 0.289 782 F C 1.506 177.272 175.800 -0.057 0.000 1.082 782 F CA 0.462 58.386 58.000 -0.126 0.000 1.282 782 F CB -0.963 38.005 39.000 -0.054 0.000 1.060 782 F HN -0.265 nan 8.300 nan 0.000 0.493 783 A N 1.117 124.031 122.820 0.157 0.000 3.105 783 A HA 0.388 4.707 4.320 -0.002 0.000 0.336 783 A C -1.792 175.846 177.584 0.090 0.000 1.042 783 A CA -1.180 50.946 52.037 0.149 0.000 0.851 783 A CB -0.430 18.656 19.000 0.143 0.000 1.068 783 A HN 0.003 nan 8.150 nan 0.000 0.477 784 P HA -0.229 nan 4.420 nan 0.000 0.216 784 P C 0.860 178.287 177.300 0.211 0.000 1.150 784 P CA 1.684 64.622 63.100 -0.271 0.000 0.837 784 P CB 0.066 31.198 31.700 -0.947 0.000 0.786 785 H N -0.395 118.932 119.070 0.428 0.000 2.299 785 H HA -0.070 4.485 4.556 -0.002 0.000 0.302 785 H C 2.112 177.626 175.328 0.310 0.000 1.078 785 H CA 1.158 57.480 56.048 0.457 0.000 1.323 785 H CB -1.178 28.852 29.762 0.447 0.000 1.381 785 H HN 0.022 nan 8.280 nan 0.000 0.498 786 L N 0.859 122.323 121.223 0.401 0.000 2.046 786 L HA -0.092 4.247 4.340 -0.002 0.000 0.208 786 L C 2.349 179.313 176.870 0.156 0.000 1.077 786 L CA 1.801 56.801 54.840 0.267 0.000 0.747 786 L CB -1.075 41.046 42.059 0.103 0.000 0.896 786 L HN 0.288 nan 8.230 nan 0.000 0.432 787 A N -0.683 122.235 122.820 0.163 0.000 1.865 787 A HA -0.284 4.035 4.320 -0.002 0.000 0.217 787 A C 2.283 179.928 177.584 0.100 0.000 1.191 787 A CA 1.890 54.017 52.037 0.151 0.000 0.623 787 A CB -0.874 18.258 19.000 0.220 0.000 0.826 787 A HN 0.531 nan 8.150 nan 0.000 0.444 788 E N -0.292 119.926 120.200 0.031 0.000 2.085 788 E HA -0.217 4.132 4.350 -0.002 0.000 0.194 788 E C 1.925 178.348 176.600 -0.294 0.000 0.994 788 E CA 1.703 57.924 56.400 -0.298 0.000 0.801 788 E CB -0.190 29.080 29.700 -0.717 0.000 0.743 788 E HN 0.624 nan 8.360 nan 0.000 0.453 789 E N 0.069 120.211 120.200 -0.096 0.000 2.031 789 E HA -0.140 4.209 4.350 -0.002 0.000 0.193 789 E C 1.978 178.547 176.600 -0.051 0.000 0.994 789 E CA 1.519 58.088 56.400 0.282 0.000 0.800 789 E CB -0.371 29.593 29.700 0.439 0.000 0.752 789 E HN 0.369 nan 8.360 nan 0.000 0.447 790 L N -0.133 120.923 121.223 -0.278 0.000 2.141 790 L HA -0.117 4.222 4.340 -0.002 0.000 0.209 790 L C 2.476 179.270 176.870 -0.126 0.000 1.094 790 L CA 0.976 55.390 54.840 -0.711 0.000 0.763 790 L CB -0.631 41.158 42.059 -0.450 0.000 0.908 790 L HN 0.422 nan 8.230 nan 0.000 0.437 791 W N 1.248 122.557 121.300 0.015 0.000 2.358 791 W HA -0.230 4.429 4.660 -0.001 0.000 0.303 791 W C 2.047 178.708 176.519 0.236 0.000 1.208 791 W CA 1.629 59.127 57.345 0.255 0.000 1.274 791 W CB -0.322 29.184 29.460 0.076 0.000 1.138 791 W HN 0.281 nan 8.180 nan 0.000 0.515 792 H N -1.451 117.781 119.070 0.270 0.000 2.563 792 H HA -0.096 4.459 4.556 -0.002 0.000 0.272 792 H C 1.430 176.847 175.328 0.149 0.000 1.005 792 H CA 1.482 57.669 56.048 0.232 0.000 1.171 792 H CB -0.713 29.260 29.762 0.352 0.000 1.351 792 H HN 0.114 nan 8.280 nan 0.000 0.602 793 W N -1.050 120.084 121.300 -0.277 0.000 2.658 793 W HA 0.088 4.748 4.660 -0.001 0.000 0.263 793 W C 0.633 176.483 176.519 -1.115 0.000 1.274 793 W CA 0.474 57.360 57.345 -0.766 0.000 1.343 793 W CB -0.349 28.364 29.460 -1.245 0.000 1.106 793 W HN 0.190 nan 8.180 nan 0.000 0.615 794 F N -4.235 115.534 119.950 -0.301 0.000 2.819 794 F HA 0.239 4.765 4.527 -0.002 0.000 0.325 794 F C 0.541 175.628 175.800 -1.188 0.000 1.041 794 F CA -0.689 56.777 58.000 -0.890 0.000 1.184 794 F CB -0.287 37.760 39.000 -1.587 0.000 1.019 794 F HN -0.382 nan 8.300 nan 0.000 0.590 795 W N 2.758 123.841 121.300 -0.361 0.000 2.761 795 W HA 0.328 4.988 4.660 -0.001 0.000 0.340 795 W C -1.809 174.522 176.519 -0.314 0.000 1.072 795 W CA -1.651 55.396 57.345 -0.496 0.000 1.215 795 W CB 1.107 29.861 29.460 -1.177 0.000 1.420 795 W HN -0.306 nan 8.180 nan 0.000 0.519 796 P HA -0.147 nan 4.420 nan 0.000 0.212 796 P C 0.306 177.696 177.300 0.149 0.000 1.180 796 P CA 1.586 64.750 63.100 0.106 0.000 0.906 796 P CB 0.551 32.335 31.700 0.140 0.000 0.782 797 D N -0.243 120.317 120.400 0.267 0.000 2.447 797 D HA 0.112 4.751 4.640 -0.002 0.000 0.265 797 D C 0.509 177.006 176.300 0.328 0.000 1.250 797 D CA -0.165 54.036 54.000 0.334 0.000 1.046 797 D CB 0.227 41.216 40.800 0.315 0.000 1.095 797 D HN 0.013 nan 8.370 nan 0.000 0.555 798 S N -0.677 115.245 115.700 0.369 0.000 2.617 798 S HA 0.126 4.595 4.470 -0.002 0.000 0.269 798 S C 1.449 175.807 174.600 -0.402 0.000 1.292 798 S CA -0.637 57.692 58.200 0.216 0.000 1.010 798 S CB 0.471 63.994 63.200 0.538 0.000 0.944 798 S HN 0.378 nan 8.310 nan 0.000 0.536 799 L N 2.558 123.211 121.223 -0.951 0.000 2.191 799 L HA -0.022 4.317 4.340 -0.002 0.000 0.212 799 L C 1.742 177.899 176.870 -1.188 0.000 1.103 799 L CA 1.139 55.023 54.840 -1.594 0.000 0.769 799 L CB -0.387 40.262 42.059 -2.349 0.000 0.908 799 L HN 0.762 nan 8.230 nan 0.000 0.438 800 F N 0.157 119.543 119.950 -0.941 0.000 2.333 800 F HA -0.200 4.326 4.527 -0.002 0.000 0.300 800 F C 2.232 177.765 175.800 -0.445 0.000 1.083 800 F CA 1.099 58.689 58.000 -0.684 0.000 1.395 800 F CB 0.059 38.383 39.000 -1.128 0.000 1.056 800 F HN 0.143 nan 8.300 nan 0.000 0.529 801 E N -0.684 119.399 120.200 -0.194 0.000 2.447 801 E HA 0.061 4.410 4.350 -0.002 0.000 0.195 801 E C 2.042 178.596 176.600 -0.077 0.000 1.028 801 E CA 0.449 56.830 56.400 -0.031 0.000 0.876 801 E CB 0.054 29.820 29.700 0.110 0.000 0.885 801 E HN 0.319 nan 8.360 nan 0.000 0.500 802 A N 1.385 124.060 122.820 -0.242 0.000 2.119 802 A HA 0.272 4.591 4.320 -0.002 0.000 0.216 802 A C 1.336 178.806 177.584 -0.190 0.000 1.152 802 A CA 0.956 52.857 52.037 -0.227 0.000 0.708 802 A CB -0.464 18.214 19.000 -0.536 0.000 0.805 802 A HN 0.292 nan 8.150 nan 0.000 0.460 803 G N -2.046 106.649 108.800 -0.174 0.000 2.693 803 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.226 803 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.226 803 G C -0.254 174.619 174.900 -0.045 0.000 1.354 803 G CA -0.121 44.931 45.100 -0.079 0.000 0.873 803 G HN 0.877 nan 8.290 nan 0.000 0.562 804 W N 1.102 122.274 121.300 -0.213 0.000 2.520 804 W HA 0.554 5.214 4.660 -0.001 0.000 0.323 804 W C -1.965 174.400 176.519 -0.257 0.000 1.062 804 W CA -1.680 55.538 57.345 -0.212 0.000 1.215 804 W CB 1.610 30.991 29.460 -0.132 0.000 1.340 804 W HN 0.536 nan 8.180 nan 0.000 0.516 805 P HA -0.069 nan 4.420 nan 0.000 0.265 805 P C -0.823 176.195 177.300 -0.469 0.000 1.187 805 P CA 0.642 63.187 63.100 -0.924 0.000 0.766 805 P CB 0.546 31.278 31.700 -1.613 0.000 0.820 806 E N 2.023 122.074 120.200 -0.247 0.000 2.200 806 E HA 0.207 4.556 4.350 -0.002 0.000 0.283 806 E C -0.623 176.038 176.600 0.103 0.000 1.015 806 E CA -0.871 55.519 56.400 -0.016 0.000 0.819 806 E CB 0.474 30.195 29.700 0.036 0.000 1.081 806 E HN 0.260 nan 8.360 nan 0.000 0.397 807 L N 4.629 125.926 121.223 0.123 0.000 2.426 807 L HA 0.136 4.475 4.340 -0.002 0.000 0.271 807 L C -0.312 176.648 176.870 0.152 0.000 1.169 807 L CA 0.394 55.368 54.840 0.223 0.000 0.836 807 L CB 1.023 43.171 42.059 0.149 0.000 1.112 807 L HN 0.457 nan 8.230 nan 0.000 0.465 808 D N 3.719 124.138 120.400 0.032 0.000 2.443 808 D HA 0.088 4.727 4.640 -0.002 0.000 0.221 808 D C 0.629 176.839 176.300 -0.150 0.000 1.097 808 D CA -0.238 53.612 54.000 -0.249 0.000 0.865 808 D CB 0.944 41.286 40.800 -0.763 0.000 1.034 808 D HN 0.604 nan 8.370 nan 0.000 0.511 809 E N 2.808 122.983 120.200 -0.041 0.000 2.070 809 E HA -0.196 4.153 4.350 -0.002 0.000 0.197 809 E C 1.520 178.113 176.600 -0.013 0.000 1.004 809 E CA 1.003 57.397 56.400 -0.010 0.000 0.805 809 E CB 0.178 29.881 29.700 0.007 0.000 0.744 809 E HN 0.460 nan 8.360 nan 0.000 0.451 810 K N 0.667 121.060 120.400 -0.012 0.000 2.103 810 K HA -0.071 4.248 4.320 -0.002 0.000 0.207 810 K C 2.068 178.684 176.600 0.027 0.000 1.048 810 K CA 1.103 57.397 56.287 0.012 0.000 0.930 810 K CB -0.613 31.899 32.500 0.020 0.000 0.716 810 K HN 0.135 nan 8.250 nan 0.000 0.444 811 A N 1.105 123.928 122.820 0.004 0.000 2.076 811 A HA -0.107 4.212 4.320 -0.002 0.000 0.220 811 A C 2.164 179.767 177.584 0.031 0.000 1.160 811 A CA 1.107 53.169 52.037 0.041 0.000 0.653 811 A CB -0.556 18.338 19.000 -0.178 0.000 0.801 811 A HN 0.220 nan 8.150 nan 0.000 0.455 812 L N -0.612 120.619 121.223 0.013 0.000 2.418 812 L HA 0.017 4.356 4.340 -0.002 0.000 0.218 812 L C 0.857 177.749 176.870 0.036 0.000 1.125 812 L CA -0.005 54.852 54.840 0.029 0.000 0.835 812 L CB -0.345 41.729 42.059 0.025 0.000 0.953 812 L HN 0.396 nan 8.230 nan 0.000 0.454 813 E N 0.679 120.900 120.200 0.036 0.000 2.409 813 E HA 0.070 4.419 4.350 -0.002 0.000 0.257 813 E C 0.024 176.650 176.600 0.042 0.000 1.150 813 E CA -0.285 56.136 56.400 0.036 0.000 0.942 813 E CB 0.418 30.138 29.700 0.032 0.000 0.979 813 E HN -0.081 nan 8.360 nan 0.000 0.447 814 K N 0.000 120.422 120.400 0.037 0.000 2.780 814 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 814 K CA 0.000 56.310 56.287 0.039 0.000 0.838 814 K CB 0.000 32.526 32.500 0.043 0.000 1.064 814 K HN 0.000 nan 8.250 nan 0.000 0.543