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 1em6_1_B DATA FIRST_RESID 22 DATA SEQUENCE ENVAELKKSF NRHLHFTLVK DRNVATTRDY YFALAHTVRD HLVGRWIRTQ DATA SEQUENCE QHYYDKCPKR VYYLSLEFYM GRTLQNTMIN LGLQNACDEA IYQLGLDIEE DATA SEQUENCE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY EYGIFNQKIR DATA SEQUENCE DGWQVEEADD WLRYGNPWEK SRPEFMLPVH FYGKVEHTNT GTKWIDTQVV DATA SEQUENCE LALPYDTPVP GYMNNTVNTM RLWSARAPXX XXXXXXXXGD YIQAVLDRNL DATA SEQUENCE AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF KASXXXXXXX DATA SEQUENCE XXTVFDAFPD QVAIQLNDTH PALAIPELMR IFVDIEKLPW SKAWELTQKT DATA SEQUENCE FAYTNHTVLP EALERWPVDL VEKLLPRHLE IIYEINQKHL DRIVALFPKD DATA SEQUENCE VDRLRRMSLI EEEGSKRINM AHLCIVGSHA VNGVAKIHSD IVKTKVFKDF DATA SEQUENCE SELEPDKFQN KTNGITPRRW LLLCNPGLAE LIAEKIGEDY VKDLSQLTKL DATA SEQUENCE HSFLGDDVFL RELAKVKQEN KLKFSQFLET EYKVKINPSS MFDVQVKRIH DATA SEQUENCE EYKRQLLNCL HVITMYNRIK KDPXXXFVPR TVIIGGKAAP GYHMAKMIIK DATA SEQUENCE LITSVADVVN NDPMVGSKLK VIFLENYRVS LAEKVIPATD LSEQISTAGT DATA SEQUENCE EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENLFIF GMRIDDVAAL DATA SEQUENCE DKKGYEAKEY YEALPELKLV IDQIDNGFFS PKQPDLFKDI INMLFYHDRF DATA SEQUENCE KVFADYEAYV KCQDKVSQLY MNPKAWNTMV LKNIAASGKF SSDRTIKEYA DATA SEQUENCE QNIWNVEPS 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 22 E HA 0.000 nan 4.350 nan 0.000 0.291 22 E C 0.000 176.645 176.600 0.075 0.000 1.382 22 E CA 0.000 56.495 56.400 0.158 0.000 0.976 22 E CB 0.000 29.782 29.700 0.136 0.000 0.812 23 N N -2.073 116.671 118.700 0.073 0.000 2.362 23 N HA 0.377 5.118 4.740 0.001 0.000 0.299 23 N C 0.856 176.394 175.510 0.047 0.000 1.170 23 N CA -0.838 52.240 53.050 0.046 0.000 0.825 23 N CB 1.491 40.002 38.487 0.039 0.000 1.299 23 N HN -0.157 nan 8.380 nan 0.000 0.502 24 V N 0.189 120.123 119.914 0.033 0.000 2.282 24 V HA -0.301 3.820 4.120 0.001 0.000 0.249 24 V C 2.457 178.573 176.094 0.037 0.000 1.057 24 V CA 2.571 64.889 62.300 0.030 0.000 1.032 24 V CB -1.500 30.338 31.823 0.024 0.000 0.645 24 V HN 0.897 nan 8.190 nan 0.000 0.447 25 A N -0.447 122.394 122.820 0.036 0.000 1.883 25 A HA -0.221 4.099 4.320 0.001 0.000 0.217 25 A C 2.223 179.840 177.584 0.055 0.000 1.186 25 A CA 1.840 53.899 52.037 0.037 0.000 0.624 25 A CB -0.439 18.579 19.000 0.030 0.000 0.822 25 A HN 0.544 nan 8.150 nan 0.000 0.444 26 E N -0.063 120.177 120.200 0.066 0.000 2.107 26 E HA -0.074 4.276 4.350 0.001 0.000 0.191 26 E C 2.061 178.736 176.600 0.125 0.000 0.982 26 E CA 0.702 57.154 56.400 0.086 0.000 0.809 26 E CB -0.406 29.345 29.700 0.086 0.000 0.756 26 E HN 0.677 nan 8.360 nan 0.000 0.459 27 L N 0.804 122.105 121.223 0.129 0.000 2.083 27 L HA -0.173 4.167 4.340 0.001 0.000 0.209 27 L C 2.427 179.404 176.870 0.178 0.000 1.083 27 L CA 1.186 56.125 54.840 0.165 0.000 0.752 27 L CB -0.258 41.864 42.059 0.106 0.000 0.899 27 L HN 0.047 nan 8.230 nan 0.000 0.433 28 K N 0.532 121.001 120.400 0.115 0.000 2.062 28 K HA -0.174 4.147 4.320 0.001 0.000 0.205 28 K C 2.131 178.836 176.600 0.174 0.000 1.051 28 K CA 1.406 57.757 56.287 0.107 0.000 0.941 28 K CB -0.079 32.438 32.500 0.029 0.000 0.719 28 K HN 0.388 nan 8.250 nan 0.000 0.440 29 K N 0.579 121.058 120.400 0.132 0.000 2.097 29 K HA -0.066 4.255 4.320 0.001 0.000 0.205 29 K C 2.239 178.929 176.600 0.150 0.000 1.050 29 K CA 1.710 58.069 56.287 0.119 0.000 0.938 29 K CB -0.227 32.320 32.500 0.078 0.000 0.718 29 K HN -0.119 nan 8.250 nan 0.000 0.442 30 S N 0.160 115.968 115.700 0.180 0.000 2.383 30 S HA -0.149 4.322 4.470 0.001 0.000 0.227 30 S C 1.662 176.434 174.600 0.288 0.000 1.026 30 S CA 0.739 59.056 58.200 0.195 0.000 0.981 30 S CB -0.496 62.850 63.200 0.245 0.000 0.818 30 S HN 0.503 nan 8.310 nan 0.000 0.472 31 F N 3.091 123.150 119.950 0.181 0.000 2.102 31 F HA -0.096 4.432 4.527 0.001 0.000 0.298 31 F C 2.088 177.993 175.800 0.175 0.000 1.105 31 F CA 1.955 60.073 58.000 0.196 0.000 1.239 31 F CB -0.585 38.495 39.000 0.133 0.000 0.991 31 F HN 0.243 nan 8.300 nan 0.000 0.474 32 N N 0.462 119.374 118.700 0.354 0.000 2.223 32 N HA -0.158 4.582 4.740 0.001 0.000 0.185 32 N C 1.987 177.540 175.510 0.072 0.000 1.016 32 N CA 1.117 54.287 53.050 0.200 0.000 0.863 32 N CB -0.459 38.131 38.487 0.173 0.000 0.983 32 N HN 0.339 nan 8.380 nan 0.000 0.429 33 R N -0.061 120.489 120.500 0.083 0.000 2.073 33 R HA -0.038 4.302 4.340 0.001 0.000 0.234 33 R C 1.934 178.282 176.300 0.079 0.000 1.134 33 R CA 1.316 57.477 56.100 0.102 0.000 0.952 33 R CB -0.174 30.165 30.300 0.064 0.000 0.850 33 R HN 0.423 nan 8.270 nan 0.000 0.433 34 H N -0.780 118.316 119.070 0.044 0.000 2.357 34 H HA -0.108 4.448 4.556 0.001 0.000 0.301 34 H C 1.785 177.022 175.328 -0.152 0.000 1.082 34 H CA 1.377 57.387 56.048 -0.064 0.000 1.342 34 H CB 0.068 29.758 29.762 -0.119 0.000 1.389 34 H HN 0.066 nan 8.280 nan 0.000 0.511 35 L N 0.146 121.312 121.223 -0.095 0.000 2.079 35 L HA -0.223 4.117 4.340 0.001 0.000 0.210 35 L C 2.268 179.088 176.870 -0.084 0.000 1.081 35 L CA 1.826 56.582 54.840 -0.139 0.000 0.752 35 L CB -0.631 41.352 42.059 -0.127 0.000 0.896 35 L HN 0.438 nan 8.230 nan 0.000 0.433 36 H N -1.446 117.508 119.070 -0.194 0.000 2.266 36 H HA -0.117 4.440 4.556 0.001 0.000 0.308 36 H C 2.087 177.200 175.328 -0.358 0.000 1.057 36 H CA 2.290 58.135 56.048 -0.338 0.000 1.330 36 H CB -0.165 29.273 29.762 -0.540 0.000 1.400 36 H HN 0.340 nan 8.280 nan 0.000 0.503 37 F N 0.662 120.604 119.950 -0.013 0.000 2.206 37 F HA -0.079 4.449 4.527 0.001 0.000 0.298 37 F C 2.799 178.517 175.800 -0.137 0.000 1.090 37 F CA 1.345 59.287 58.000 -0.096 0.000 1.323 37 F CB -0.516 38.462 39.000 -0.038 0.000 1.028 37 F HN 0.174 nan 8.300 nan 0.000 0.492 38 T N -0.336 114.237 114.554 0.031 0.000 2.939 38 T HA 0.065 4.415 4.350 0.001 0.000 0.254 38 T C 1.774 176.359 174.700 -0.192 0.000 1.041 38 T CA 0.655 62.688 62.100 -0.111 0.000 1.142 38 T CB 0.001 68.747 68.868 -0.204 0.000 0.874 38 T HN -0.027 nan 8.240 nan 0.000 0.452 39 L N 1.055 122.170 121.223 -0.180 0.000 2.554 39 L HA 0.278 4.618 4.340 0.001 0.000 0.225 39 L C 0.694 177.456 176.870 -0.179 0.000 1.104 39 L CA 0.468 55.193 54.840 -0.191 0.000 0.866 39 L CB -0.653 41.306 42.059 -0.167 0.000 1.047 39 L HN 0.076 nan 8.230 nan 0.000 0.468 40 V N 0.461 120.253 119.914 -0.204 0.000 5.961 40 V HA -0.272 3.849 4.120 0.001 0.000 0.311 40 V C 0.339 176.312 176.094 -0.201 0.000 0.552 40 V CA 0.942 63.096 62.300 -0.243 0.000 0.641 40 V CB -2.012 29.698 31.823 -0.188 0.000 0.286 40 V HN 0.388 nan 8.190 nan 0.000 0.939 41 K N 0.725 121.016 120.400 -0.182 0.000 2.495 41 K HA 0.773 5.093 4.320 0.001 0.000 0.268 41 K C -0.459 176.105 176.600 -0.060 0.000 1.008 41 K CA -0.303 55.912 56.287 -0.121 0.000 0.882 41 K CB 2.580 35.002 32.500 -0.129 0.000 1.443 41 K HN 0.508 nan 8.250 nan 0.000 0.447 42 D N -1.396 118.992 120.400 -0.020 0.000 2.533 42 D HA 0.365 5.006 4.640 0.001 0.000 0.247 42 D C 0.664 177.006 176.300 0.070 0.000 1.056 42 D CA -0.696 53.328 54.000 0.041 0.000 1.054 42 D CB 0.893 41.715 40.800 0.037 0.000 1.400 42 D HN 0.120 nan 8.370 nan 0.000 0.533 43 R N -0.285 120.288 120.500 0.122 0.000 2.193 43 R HA 0.009 4.350 4.340 0.001 0.000 0.229 43 R C 1.258 177.634 176.300 0.126 0.000 1.110 43 R CA 1.101 57.312 56.100 0.185 0.000 0.988 43 R CB -0.635 29.761 30.300 0.160 0.000 0.871 43 R HN 0.443 nan 8.270 nan 0.000 0.458 44 N N -0.620 118.120 118.700 0.067 0.000 2.106 44 N HA -0.120 4.620 4.740 0.001 0.000 0.188 44 N C 1.349 176.873 175.510 0.024 0.000 1.029 44 N CA 1.914 54.989 53.050 0.042 0.000 0.848 44 N CB -0.089 38.412 38.487 0.023 0.000 1.007 44 N HN 0.291 nan 8.380 nan 0.000 0.423 45 V N -2.502 117.411 119.914 -0.002 0.000 3.319 45 V HA 0.579 4.700 4.120 0.001 0.000 0.317 45 V C 0.575 176.622 176.094 -0.079 0.000 1.411 45 V CA -0.637 61.645 62.300 -0.031 0.000 1.112 45 V CB -0.325 31.476 31.823 -0.037 0.000 1.031 45 V HN 0.105 nan 8.190 nan 0.000 0.448 46 A N 2.032 124.785 122.820 -0.111 0.000 2.477 46 A HA 0.565 4.886 4.320 0.001 0.000 0.246 46 A C 0.833 178.192 177.584 -0.376 0.000 1.078 46 A CA 0.761 52.615 52.037 -0.305 0.000 0.770 46 A CB -0.066 18.652 19.000 -0.471 0.000 1.011 46 A HN 0.883 nan 8.150 nan 0.000 0.494 47 T N -0.476 113.865 114.554 -0.355 0.000 2.862 47 T HA 0.396 4.747 4.350 0.001 0.000 0.276 47 T C 1.202 175.742 174.700 -0.266 0.000 0.974 47 T CA 0.228 62.196 62.100 -0.220 0.000 0.966 47 T CB 0.753 69.550 68.868 -0.118 0.000 1.072 47 T HN 0.471 nan 8.240 nan 0.000 0.538 48 T N 0.107 114.649 114.554 -0.019 0.000 2.788 48 T HA -0.070 4.280 4.350 0.001 0.000 0.268 48 T C 1.989 176.784 174.700 0.158 0.000 1.044 48 T CA 1.361 63.559 62.100 0.164 0.000 1.139 48 T CB -0.320 68.639 68.868 0.152 0.000 0.867 48 T HN 0.684 nan 8.240 nan 0.000 0.454 49 R N 1.127 121.674 120.500 0.079 0.000 2.081 49 R HA -0.127 4.214 4.340 0.001 0.000 0.235 49 R C 1.914 178.381 176.300 0.279 0.000 1.131 49 R CA 1.713 57.907 56.100 0.156 0.000 0.960 49 R CB -0.260 30.083 30.300 0.072 0.000 0.856 49 R HN 0.274 nan 8.270 nan 0.000 0.436 50 D N -0.358 120.096 120.400 0.091 0.000 2.123 50 D HA -0.200 4.441 4.640 0.001 0.000 0.196 50 D C 1.762 178.111 176.300 0.081 0.000 0.992 50 D CA 1.384 55.402 54.000 0.029 0.000 0.833 50 D CB -0.327 40.337 40.800 -0.227 0.000 0.954 50 D HN 0.301 nan 8.370 nan 0.000 0.455 51 Y N 0.031 120.441 120.300 0.182 0.000 2.181 51 Y HA -0.210 4.341 4.550 0.001 0.000 0.288 51 Y C 2.331 178.393 175.900 0.270 0.000 1.146 51 Y CA 0.361 58.624 58.100 0.272 0.000 1.164 51 Y CB -1.210 37.461 38.460 0.351 0.000 0.982 51 Y HN 0.103 nan 8.280 nan 0.000 0.515 52 Y N -0.446 120.016 120.300 0.271 0.000 2.128 52 Y HA -0.278 4.273 4.550 0.001 0.000 0.284 52 Y C 1.994 177.921 175.900 0.044 0.000 1.154 52 Y CA 1.217 59.382 58.100 0.108 0.000 1.149 52 Y CB -1.121 37.294 38.460 -0.075 0.000 0.976 52 Y HN 0.014 nan 8.280 nan 0.000 0.505 53 F N 0.399 120.180 119.950 -0.283 0.000 2.134 53 F HA -0.125 4.402 4.527 0.001 0.000 0.299 53 F C 2.695 178.357 175.800 -0.230 0.000 1.097 53 F CA 1.510 59.290 58.000 -0.367 0.000 1.264 53 F CB -1.229 37.702 39.000 -0.114 0.000 1.001 53 F HN 0.195 nan 8.300 nan 0.000 0.479 54 A N -0.262 122.538 122.820 -0.032 0.000 1.908 54 A HA -0.192 4.129 4.320 0.001 0.000 0.218 54 A C 2.128 179.637 177.584 -0.124 0.000 1.181 54 A CA 1.754 53.633 52.037 -0.263 0.000 0.627 54 A CB -1.090 17.397 19.000 -0.856 0.000 0.818 54 A HN 0.351 nan 8.150 nan 0.000 0.445 55 L N -0.404 120.882 121.223 0.106 0.000 2.056 55 L HA 0.036 4.377 4.340 0.001 0.000 0.207 55 L C 2.672 179.577 176.870 0.058 0.000 1.078 55 L CA 2.076 57.082 54.840 0.276 0.000 0.749 55 L CB -0.946 41.322 42.059 0.348 0.000 0.901 55 L HN 0.337 nan 8.230 nan 0.000 0.433 56 A N -1.198 121.508 122.820 -0.190 0.000 1.883 56 A HA -0.274 4.047 4.320 0.001 0.000 0.217 56 A C 2.290 179.624 177.584 -0.417 0.000 1.186 56 A CA 1.928 53.763 52.037 -0.338 0.000 0.624 56 A CB -1.072 17.417 19.000 -0.851 0.000 0.822 56 A HN 0.678 nan 8.150 nan 0.000 0.444 57 H N -0.729 118.074 119.070 -0.446 0.000 2.353 57 H HA -0.086 4.471 4.556 0.001 0.000 0.300 57 H C 2.337 177.431 175.328 -0.390 0.000 1.090 57 H CA 1.903 57.599 56.048 -0.588 0.000 1.327 57 H CB -0.355 28.764 29.762 -1.072 0.000 1.383 57 H HN 0.486 nan 8.280 nan 0.000 0.508 58 T N 0.588 115.114 114.554 -0.047 0.000 2.746 58 T HA -0.097 4.254 4.350 0.001 0.000 0.267 58 T C 2.394 177.276 174.700 0.304 0.000 1.039 58 T CA 1.199 63.452 62.100 0.256 0.000 1.142 58 T CB -0.345 68.726 68.868 0.339 0.000 0.866 58 T HN 0.078 nan 8.240 nan 0.000 0.444 59 V N 1.120 121.157 119.914 0.205 0.000 2.323 59 V HA -0.087 4.034 4.120 0.001 0.000 0.244 59 V C 2.599 178.874 176.094 0.301 0.000 1.041 59 V CA 1.479 63.912 62.300 0.221 0.000 1.025 59 V CB -0.572 31.391 31.823 0.234 0.000 0.656 59 V HN 0.329 nan 8.190 nan 0.000 0.451 60 R N 0.195 120.827 120.500 0.219 0.000 2.103 60 R HA -0.226 4.115 4.340 0.001 0.000 0.242 60 R C 2.005 178.416 176.300 0.185 0.000 1.142 60 R CA 2.101 58.316 56.100 0.191 0.000 0.960 60 R CB -0.392 29.822 30.300 -0.143 0.000 0.858 60 R HN 0.508 nan 8.270 nan 0.000 0.439 61 D N -0.485 120.026 120.400 0.186 0.000 2.182 61 D HA -0.158 4.483 4.640 0.001 0.000 0.201 61 D C 1.494 177.837 176.300 0.072 0.000 0.986 61 D CA 1.331 55.416 54.000 0.140 0.000 0.847 61 D CB -0.311 40.574 40.800 0.143 0.000 0.942 61 D HN 0.473 nan 8.370 nan 0.000 0.467 62 H N -0.553 118.579 119.070 0.103 0.000 2.546 62 H HA 0.130 4.686 4.556 0.001 0.000 0.277 62 H C 1.958 177.326 175.328 0.066 0.000 1.004 62 H CA 0.375 56.469 56.048 0.077 0.000 1.231 62 H CB 0.015 29.815 29.762 0.064 0.000 1.382 62 H HN 0.136 nan 8.280 nan 0.000 0.580 63 L N -0.292 121.038 121.223 0.180 0.000 2.202 63 L HA -0.065 4.275 4.340 0.001 0.000 0.205 63 L C 2.365 179.343 176.870 0.180 0.000 1.083 63 L CA 0.480 55.391 54.840 0.119 0.000 0.790 63 L CB -0.252 41.842 42.059 0.058 0.000 0.942 63 L HN 0.258 nan 8.230 nan 0.000 0.452 64 V N -1.405 118.636 119.914 0.211 0.000 2.231 64 V HA -0.226 3.895 4.120 0.001 0.000 0.250 64 V C 2.352 178.553 176.094 0.178 0.000 1.058 64 V CA 2.220 64.668 62.300 0.246 0.000 1.022 64 V CB -1.924 29.997 31.823 0.163 0.000 0.640 64 V HN 0.383 nan 8.190 nan 0.000 0.445 65 G N 0.041 108.901 108.800 0.100 0.000 2.553 65 G HA2 -0.321 3.639 3.960 0.001 0.000 0.218 65 G HA3 -0.321 3.639 3.960 0.001 0.000 0.218 65 G C 1.767 176.712 174.900 0.074 0.000 1.195 65 G CA 1.284 46.420 45.100 0.060 0.000 0.779 65 G HN 0.545 nan 8.290 nan 0.000 0.577 66 R N -1.499 119.051 120.500 0.083 0.000 2.152 66 R HA -0.082 4.258 4.340 0.001 0.000 0.232 66 R C 2.239 178.624 176.300 0.142 0.000 1.117 66 R CA 1.070 57.211 56.100 0.069 0.000 0.981 66 R CB -0.289 30.034 30.300 0.038 0.000 0.870 66 R HN 0.539 nan 8.270 nan 0.000 0.451 67 W N 1.199 122.480 121.300 -0.032 0.000 2.379 67 W HA -0.049 4.611 4.660 0.001 0.000 0.307 67 W C 1.622 178.114 176.519 -0.046 0.000 1.200 67 W CA 0.864 58.187 57.345 -0.036 0.000 1.297 67 W CB -0.621 28.836 29.460 -0.006 0.000 1.140 67 W HN -0.048 nan 8.180 nan 0.000 0.507 68 I N 0.370 120.997 120.570 0.096 0.000 2.179 68 I HA -0.343 3.827 4.170 0.001 0.000 0.242 68 I C 2.615 178.714 176.117 -0.030 0.000 1.088 68 I CA 1.535 62.805 61.300 -0.050 0.000 1.357 68 I CB -0.586 37.392 38.000 -0.037 0.000 1.051 68 I HN -0.091 nan 8.210 nan 0.000 0.409 69 R N 0.003 120.503 120.500 -0.000 0.000 2.081 69 R HA -0.119 4.222 4.340 0.001 0.000 0.235 69 R C 2.329 178.595 176.300 -0.055 0.000 1.131 69 R CA 1.865 57.955 56.100 -0.016 0.000 0.960 69 R CB -0.646 29.643 30.300 -0.017 0.000 0.856 69 R HN 0.354 nan 8.270 nan 0.000 0.436 70 T N 1.189 115.690 114.554 -0.087 0.000 2.708 70 T HA -0.135 4.216 4.350 0.001 0.000 0.266 70 T C 1.805 176.210 174.700 -0.491 0.000 1.037 70 T CA 1.114 63.049 62.100 -0.275 0.000 1.146 70 T CB -0.090 68.671 68.868 -0.178 0.000 0.865 70 T HN 0.182 nan 8.240 nan 0.000 0.435 71 Q N 0.691 120.364 119.800 -0.213 0.000 2.167 71 Q HA -0.051 4.290 4.340 0.001 0.000 0.202 71 Q C 2.317 178.323 176.000 0.010 0.000 0.970 71 Q CA 1.119 56.875 55.803 -0.079 0.000 0.855 71 Q CB -0.460 28.267 28.738 -0.019 0.000 0.911 71 Q HN 0.485 nan 8.270 nan 0.000 0.438 72 Q N 0.253 120.048 119.800 -0.008 0.000 2.079 72 Q HA -0.182 4.159 4.340 0.001 0.000 0.200 72 Q C 1.911 177.992 176.000 0.134 0.000 0.974 72 Q CA 1.960 57.805 55.803 0.069 0.000 0.840 72 Q CB -0.450 28.311 28.738 0.038 0.000 0.898 72 Q HN 0.540 nan 8.270 nan 0.000 0.430 73 H N -0.814 118.228 119.070 -0.047 0.000 2.352 73 H HA -0.174 4.382 4.556 0.001 0.000 0.299 73 H C 1.187 176.584 175.328 0.115 0.000 1.097 73 H CA 2.233 58.268 56.048 -0.021 0.000 1.311 73 H CB -0.343 29.343 29.762 -0.128 0.000 1.377 73 H HN 0.353 nan 8.280 nan 0.000 0.504 74 Y N -0.965 119.340 120.300 0.008 0.000 2.224 74 Y HA -0.193 4.358 4.550 0.001 0.000 0.289 74 Y C 2.476 178.373 175.900 -0.006 0.000 1.146 74 Y CA 1.130 59.209 58.100 -0.036 0.000 1.182 74 Y CB -1.386 37.145 38.460 0.118 0.000 0.983 74 Y HN 0.380 nan 8.280 nan 0.000 0.524 75 Y N 1.081 121.454 120.300 0.122 0.000 2.200 75 Y HA -0.177 4.374 4.550 0.002 0.000 0.290 75 Y C 1.873 177.777 175.900 0.006 0.000 1.137 75 Y CA 1.749 59.887 58.100 0.062 0.000 1.163 75 Y CB -0.293 38.201 38.460 0.056 0.000 0.988 75 Y HN 0.020 nan 8.280 nan 0.000 0.518 76 D N 0.160 120.551 120.400 -0.015 0.000 2.084 76 D HA -0.144 4.497 4.640 0.001 0.000 0.196 76 D C 1.859 178.058 176.300 -0.169 0.000 0.985 76 D CA 1.522 55.460 54.000 -0.103 0.000 0.826 76 D CB -0.269 40.552 40.800 0.036 0.000 0.978 76 D HN 0.158 nan 8.370 nan 0.000 0.456 77 K N 0.219 120.499 120.400 -0.199 0.000 2.418 77 K HA 0.071 4.392 4.320 0.001 0.000 0.195 77 K C 0.093 176.604 176.600 -0.149 0.000 1.035 77 K CA 0.050 56.222 56.287 -0.191 0.000 1.003 77 K CB -0.318 31.984 32.500 -0.330 0.000 0.793 77 K HN 0.069 nan 8.250 nan 0.000 0.494 78 C N 1.964 121.175 119.300 -0.147 0.000 3.886 78 C HA -0.117 4.344 4.460 0.001 0.000 0.295 78 C C -2.016 172.931 174.990 -0.071 0.000 1.411 78 C CA -0.235 58.720 59.018 -0.105 0.000 2.059 78 C CB -2.199 25.458 27.740 -0.139 0.000 1.329 78 C HN 0.465 nan 8.230 nan 0.000 0.670 79 P HA 0.161 nan 4.420 nan 0.000 0.272 79 P C -0.129 177.121 177.300 -0.082 0.000 1.240 79 P CA 0.131 63.193 63.100 -0.063 0.000 0.791 79 P CB 0.582 32.250 31.700 -0.054 0.000 0.978 80 K N 1.776 122.134 120.400 -0.070 0.000 2.448 80 K HA 0.037 4.358 4.320 0.001 0.000 0.278 80 K C 0.105 176.611 176.600 -0.157 0.000 1.009 80 K CA 0.028 56.264 56.287 -0.085 0.000 0.995 80 K CB 0.282 32.750 32.500 -0.052 0.000 0.917 80 K HN 0.343 nan 8.250 nan 0.000 0.481 81 R N 2.221 122.602 120.500 -0.199 0.000 2.428 81 R HA 0.333 4.673 4.340 0.001 0.000 0.294 81 R C -0.880 175.126 176.300 -0.491 0.000 1.000 81 R CA -0.881 55.008 56.100 -0.351 0.000 0.960 81 R CB 1.704 31.767 30.300 -0.395 0.000 1.076 81 R HN 0.274 nan 8.270 nan 0.000 0.475 82 V N 3.819 123.392 119.914 -0.568 0.000 2.398 82 V HA 0.275 4.396 4.120 0.001 0.000 0.286 82 V C -1.086 174.667 176.094 -0.567 0.000 1.026 82 V CA -0.664 61.248 62.300 -0.647 0.000 0.868 82 V CB 0.991 32.288 31.823 -0.877 0.000 0.982 82 V HN 0.598 nan 8.190 nan 0.000 0.443 83 Y N 4.039 124.264 120.300 -0.125 0.000 2.402 83 Y HA 0.401 4.951 4.550 0.001 0.000 0.332 83 Y C -0.377 175.618 175.900 0.159 0.000 0.960 83 Y CA -0.849 57.319 58.100 0.113 0.000 1.228 83 Y CB 1.090 39.575 38.460 0.042 0.000 1.120 83 Y HN 0.631 nan 8.280 nan 0.000 0.491 84 Y N 4.893 125.373 120.300 0.300 0.000 2.556 84 Y HA 0.344 4.895 4.550 0.001 0.000 0.352 84 Y C -0.761 175.436 175.900 0.496 0.000 1.006 84 Y CA -0.920 57.382 58.100 0.337 0.000 1.277 84 Y CB 0.282 38.950 38.460 0.347 0.000 1.136 84 Y HN 0.544 nan 8.280 nan 0.000 0.523 85 L N 5.662 126.988 121.223 0.171 0.000 2.261 85 L HA 0.493 4.833 4.340 0.001 0.000 0.289 85 L C -0.494 176.452 176.870 0.127 0.000 1.059 85 L CA 0.197 55.191 54.840 0.256 0.000 0.816 85 L CB 0.527 42.697 42.059 0.185 0.000 1.191 85 L HN 0.527 nan 8.230 nan 0.000 0.431 86 S N 4.426 120.299 115.700 0.288 0.000 2.546 86 S HA 0.459 4.930 4.470 0.001 0.000 0.274 86 S C 0.363 175.124 174.600 0.268 0.000 1.121 86 S CA -0.774 57.501 58.200 0.125 0.000 0.887 86 S CB 1.106 64.184 63.200 -0.202 0.000 1.094 86 S HN 0.580 nan 8.310 nan 0.000 0.474 87 L N 2.200 123.583 121.223 0.268 0.000 2.554 87 L HA 0.355 4.696 4.340 0.001 0.000 0.226 87 L C 0.266 177.372 176.870 0.393 0.000 1.137 87 L CA 1.217 56.280 54.840 0.372 0.000 0.863 87 L CB -0.883 41.404 42.059 0.379 0.000 0.985 87 L HN 0.715 nan 8.230 nan 0.000 0.451 88 E N -1.072 119.231 120.200 0.171 0.000 2.314 88 E HA 0.415 4.765 4.350 0.001 0.000 0.272 88 E C -1.527 174.932 176.600 -0.235 0.000 0.884 88 E CA -0.455 56.009 56.400 0.107 0.000 0.753 88 E CB 2.153 31.878 29.700 0.042 0.000 1.213 88 E HN -0.168 nan 8.360 nan 0.000 0.432 89 F N 1.927 121.988 119.950 0.185 0.000 2.902 89 F HA 0.163 4.690 4.527 0.001 0.000 0.368 89 F C -0.905 174.982 175.800 0.145 0.000 1.202 89 F CA -0.720 57.375 58.000 0.160 0.000 1.109 89 F CB 0.931 40.018 39.000 0.145 0.000 1.418 89 F HN 0.492 nan 8.300 nan 0.000 0.527 90 Y N 5.052 125.407 120.300 0.090 0.000 2.667 90 Y HA 0.189 4.740 4.550 0.001 0.000 0.340 90 Y C 1.129 177.044 175.900 0.026 0.000 1.303 90 Y CA -0.852 57.261 58.100 0.020 0.000 1.769 90 Y CB 0.217 38.673 38.460 -0.007 0.000 1.804 90 Y HN 0.528 nan 8.280 nan 0.000 0.451 91 M N 0.827 120.544 119.600 0.195 0.000 2.319 91 M HA 0.084 4.564 4.480 0.001 0.000 0.265 91 M C 1.587 177.856 176.300 -0.052 0.000 1.068 91 M CA 1.082 56.416 55.300 0.056 0.000 1.118 91 M CB -1.233 31.388 32.600 0.035 0.000 1.395 91 M HN 0.650 nan 8.290 nan 0.000 0.435 92 G N 1.134 109.905 108.800 -0.049 0.000 2.562 92 G HA2 -0.269 3.691 3.960 0.001 0.000 0.250 92 G HA3 -0.269 3.691 3.960 0.001 0.000 0.250 92 G C -0.272 174.571 174.900 -0.094 0.000 1.269 92 G CA -0.333 44.699 45.100 -0.114 0.000 0.919 92 G HN 0.438 nan 8.290 nan 0.000 0.574 93 R N -0.736 119.687 120.500 -0.128 0.000 2.500 93 R HA 0.598 4.939 4.340 0.001 0.000 0.275 93 R C 1.116 177.283 176.300 -0.222 0.000 1.051 93 R CA 0.180 56.214 56.100 -0.110 0.000 1.088 93 R CB 0.898 31.144 30.300 -0.090 0.000 1.063 93 R HN 0.532 nan 8.270 nan 0.000 0.511 94 T N 1.131 115.484 114.554 -0.334 0.000 3.018 94 T HA 0.057 4.408 4.350 0.001 0.000 0.246 94 T C 1.702 175.973 174.700 -0.716 0.000 1.026 94 T CA -0.189 61.491 62.100 -0.700 0.000 1.081 94 T CB 0.118 68.151 68.868 -1.392 0.000 0.970 94 T HN 0.377 nan 8.240 nan 0.000 0.475 95 L N 1.373 122.372 121.223 -0.373 0.000 1.965 95 L HA -0.287 4.053 4.340 0.001 0.000 0.226 95 L C 2.695 179.508 176.870 -0.096 0.000 1.083 95 L CA 2.046 56.862 54.840 -0.040 0.000 0.790 95 L CB -0.443 41.813 42.059 0.330 0.000 0.898 95 L HN 0.329 nan 8.230 nan 0.000 0.439 96 Q N -0.514 119.243 119.800 -0.072 0.000 2.096 96 Q HA -0.270 4.070 4.340 0.001 0.000 0.204 96 Q C 2.035 177.955 176.000 -0.133 0.000 0.982 96 Q CA 1.994 57.748 55.803 -0.081 0.000 0.850 96 Q CB -0.155 28.535 28.738 -0.080 0.000 0.901 96 Q HN 0.541 nan 8.270 nan 0.000 0.422 97 N N -0.926 117.653 118.700 -0.200 0.000 2.166 97 N HA -0.137 4.604 4.740 0.001 0.000 0.186 97 N C 1.317 176.712 175.510 -0.192 0.000 1.019 97 N CA 1.741 54.664 53.050 -0.211 0.000 0.856 97 N CB 0.088 38.415 38.487 -0.267 0.000 0.993 97 N HN 0.204 nan 8.380 nan 0.000 0.426 98 T N 1.240 115.641 114.554 -0.255 0.000 2.812 98 T HA -0.005 4.345 4.350 0.001 0.000 0.264 98 T C 2.099 176.727 174.700 -0.121 0.000 1.042 98 T CA 0.925 62.890 62.100 -0.224 0.000 1.140 98 T CB -0.039 68.627 68.868 -0.335 0.000 0.870 98 T HN 0.245 nan 8.240 nan 0.000 0.445 99 M N 0.404 119.948 119.600 -0.093 0.000 2.108 99 M HA -0.024 4.457 4.480 0.001 0.000 0.261 99 M C 2.256 178.522 176.300 -0.058 0.000 1.066 99 M CA 1.673 56.936 55.300 -0.063 0.000 1.107 99 M CB -0.626 31.951 32.600 -0.037 0.000 1.356 99 M HN 0.213 nan 8.290 nan 0.000 0.406 100 I N 0.386 120.929 120.570 -0.044 0.000 2.179 100 I HA -0.293 3.878 4.170 0.001 0.000 0.242 100 I C 1.782 177.922 176.117 0.039 0.000 1.088 100 I CA 1.235 62.540 61.300 0.008 0.000 1.357 100 I CB -0.571 37.439 38.000 0.016 0.000 1.051 100 I HN 0.317 nan 8.210 nan 0.000 0.409 101 N N 0.421 119.137 118.700 0.025 0.000 2.381 101 N HA -0.105 4.635 4.740 0.001 0.000 0.182 101 N C 1.290 176.719 175.510 -0.134 0.000 1.025 101 N CA 0.928 53.983 53.050 0.010 0.000 0.888 101 N CB -0.076 38.418 38.487 0.012 0.000 0.965 101 N HN 0.164 nan 8.380 nan 0.000 0.438 102 L N -0.708 120.451 121.223 -0.105 0.000 2.607 102 L HA 0.328 4.669 4.340 0.001 0.000 0.228 102 L C 0.989 177.791 176.870 -0.113 0.000 1.123 102 L CA 0.115 54.894 54.840 -0.102 0.000 0.890 102 L CB -0.638 41.384 42.059 -0.062 0.000 1.103 102 L HN 0.203 nan 8.230 nan 0.000 0.468 103 G N 0.034 108.760 108.800 -0.122 0.000 2.295 103 G HA2 -0.280 3.681 3.960 0.001 0.000 0.287 103 G HA3 -0.280 3.681 3.960 0.001 0.000 0.287 103 G C 0.537 175.389 174.900 -0.079 0.000 1.055 103 G CA 0.488 45.525 45.100 -0.105 0.000 0.922 103 G HN 0.245 nan 8.290 nan 0.000 0.503 104 L N -0.663 120.511 121.223 -0.082 0.000 2.817 104 L HA 0.315 4.656 4.340 0.001 0.000 0.248 104 L C 2.390 179.221 176.870 -0.065 0.000 1.133 104 L CA 1.362 56.144 54.840 -0.096 0.000 0.935 104 L CB 0.052 42.010 42.059 -0.168 0.000 1.266 104 L HN 0.478 nan 8.230 nan 0.000 0.535 105 Q N 0.354 120.127 119.800 -0.046 0.000 2.045 105 Q HA -0.265 4.076 4.340 0.001 0.000 0.206 105 Q C 1.568 177.554 176.000 -0.024 0.000 0.991 105 Q CA 2.597 58.382 55.803 -0.029 0.000 0.851 105 Q CB 0.116 28.840 28.738 -0.023 0.000 0.911 105 Q HN 0.524 nan 8.270 nan 0.000 0.418 106 N N 0.050 118.735 118.700 -0.024 0.000 2.142 106 N HA -0.111 4.630 4.740 0.001 0.000 0.186 106 N C 1.577 177.076 175.510 -0.019 0.000 1.023 106 N CA 1.371 54.408 53.050 -0.022 0.000 0.852 106 N CB -0.330 38.144 38.487 -0.021 0.000 0.998 106 N HN 0.379 nan 8.380 nan 0.000 0.424 107 A N 0.162 122.970 122.820 -0.021 0.000 1.902 107 A HA -0.140 4.181 4.320 0.001 0.000 0.217 107 A C 2.349 179.926 177.584 -0.011 0.000 1.181 107 A CA 1.159 53.187 52.037 -0.015 0.000 0.623 107 A CB -1.084 17.904 19.000 -0.020 0.000 0.818 107 A HN 0.466 nan 8.150 nan 0.000 0.443 108 C N -0.584 118.704 119.300 -0.020 0.000 2.446 108 C HA -0.074 4.387 4.460 0.001 0.000 0.277 108 C C 2.391 177.378 174.990 -0.006 0.000 1.275 108 C CA 1.016 60.029 59.018 -0.009 0.000 1.727 108 C CB -1.198 26.541 27.740 -0.003 0.000 2.010 108 C HN 0.610 nan 8.230 nan 0.000 0.486 109 D N 0.573 120.971 120.400 -0.004 0.000 2.116 109 D HA -0.154 4.486 4.640 0.001 0.000 0.193 109 D C 2.069 178.383 176.300 0.023 0.000 0.998 109 D CA 1.568 55.570 54.000 0.002 0.000 0.836 109 D CB -0.469 40.323 40.800 -0.014 0.000 0.951 109 D HN 0.504 nan 8.370 nan 0.000 0.449 110 E N 0.640 120.852 120.200 0.019 0.000 2.047 110 E HA -0.074 4.277 4.350 0.001 0.000 0.191 110 E C 1.891 178.531 176.600 0.067 0.000 0.987 110 E CA 1.449 57.885 56.400 0.060 0.000 0.799 110 E CB -0.442 29.278 29.700 0.033 0.000 0.752 110 E HN 0.154 nan 8.360 nan 0.000 0.449 111 A N 1.059 123.883 122.820 0.007 0.000 1.873 111 A HA -0.194 4.127 4.320 0.001 0.000 0.218 111 A C 2.229 179.736 177.584 -0.128 0.000 1.193 111 A CA 1.816 53.826 52.037 -0.044 0.000 0.629 111 A CB -0.786 18.190 19.000 -0.039 0.000 0.826 111 A HN 0.360 nan 8.150 nan 0.000 0.447 112 I N -1.486 119.000 120.570 -0.140 0.000 2.286 112 I HA -0.221 3.950 4.170 0.001 0.000 0.248 112 I C 2.408 178.444 176.117 -0.136 0.000 1.115 112 I CA 1.603 62.766 61.300 -0.228 0.000 1.392 112 I CB -1.527 36.387 38.000 -0.144 0.000 1.065 112 I HN 0.594 nan 8.210 nan 0.000 0.418 113 Y N 2.237 122.456 120.300 -0.135 0.000 2.145 113 Y HA -0.266 4.285 4.550 0.001 0.000 0.286 113 Y C 2.671 178.508 175.900 -0.104 0.000 1.145 113 Y CA 1.836 59.876 58.100 -0.100 0.000 1.148 113 Y CB -0.553 37.867 38.460 -0.066 0.000 0.981 113 Y HN 0.224 nan 8.280 nan 0.000 0.507 114 Q N -0.152 119.521 119.800 -0.212 0.000 2.291 114 Q HA -0.112 4.229 4.340 0.001 0.000 0.206 114 Q C 1.816 177.654 176.000 -0.271 0.000 0.976 114 Q CA 1.302 56.936 55.803 -0.281 0.000 0.875 114 Q CB -0.134 28.544 28.738 -0.099 0.000 0.927 114 Q HN 0.523 nan 8.270 nan 0.000 0.450 115 L N -0.778 120.281 121.223 -0.274 0.000 2.591 115 L HA 0.147 4.487 4.340 0.001 0.000 0.228 115 L C 0.974 177.676 176.870 -0.279 0.000 1.133 115 L CA 0.215 54.889 54.840 -0.277 0.000 0.880 115 L CB -0.021 41.792 42.059 -0.409 0.000 1.033 115 L HN 0.325 nan 8.230 nan 0.000 0.450 116 G N 0.730 109.347 108.800 -0.305 0.000 2.176 116 G HA2 -0.267 3.693 3.960 0.001 0.000 0.252 116 G HA3 -0.267 3.693 3.960 0.001 0.000 0.252 116 G C -0.060 174.715 174.900 -0.208 0.000 1.024 116 G CA 0.077 45.023 45.100 -0.256 0.000 0.755 116 G HN 0.263 nan 8.290 nan 0.000 0.507 117 L N -0.513 120.576 121.223 -0.223 0.000 2.319 117 L HA 0.612 4.952 4.340 0.001 0.000 0.267 117 L C -0.461 176.370 176.870 -0.064 0.000 1.011 117 L CA -1.175 53.555 54.840 -0.182 0.000 0.818 117 L CB 1.786 43.653 42.059 -0.319 0.000 1.316 117 L HN 0.087 nan 8.230 nan 0.000 0.432 118 D N 1.412 121.805 120.400 -0.011 0.000 2.396 118 D HA 0.169 4.810 4.640 0.001 0.000 0.225 118 D C 0.685 177.012 176.300 0.045 0.000 1.121 118 D CA -0.074 53.948 54.000 0.037 0.000 0.853 118 D CB 1.272 42.101 40.800 0.049 0.000 1.043 118 D HN 0.487 nan 8.370 nan 0.000 0.500 119 I N 3.092 123.688 120.570 0.043 0.000 2.454 119 I HA -0.179 3.991 4.170 0.001 0.000 0.254 119 I C 1.836 177.996 176.117 0.071 0.000 1.156 119 I CA 1.046 62.381 61.300 0.058 0.000 1.433 119 I CB 0.244 38.270 38.000 0.043 0.000 1.082 119 I HN 0.529 nan 8.210 nan 0.000 0.432 120 E N 0.713 120.947 120.200 0.057 0.000 2.072 120 E HA -0.314 4.037 4.350 0.001 0.000 0.191 120 E C 2.095 178.734 176.600 0.065 0.000 0.985 120 E CA 1.378 57.810 56.400 0.054 0.000 0.801 120 E CB -0.104 29.624 29.700 0.047 0.000 0.750 120 E HN 0.582 nan 8.360 nan 0.000 0.452 121 E N -0.062 120.182 120.200 0.073 0.000 2.106 121 E HA -0.205 4.145 4.350 0.001 0.000 0.192 121 E C 1.994 178.652 176.600 0.096 0.000 0.984 121 E CA 0.783 57.231 56.400 0.081 0.000 0.806 121 E CB 0.042 29.792 29.700 0.085 0.000 0.750 121 E HN 0.209 nan 8.360 nan 0.000 0.458 122 L N 1.463 122.765 121.223 0.131 0.000 2.017 122 L HA -0.161 4.180 4.340 0.001 0.000 0.208 122 L C 2.223 179.188 176.870 0.159 0.000 1.073 122 L CA 1.837 56.799 54.840 0.202 0.000 0.745 122 L CB -0.569 41.646 42.059 0.259 0.000 0.894 122 L HN 0.150 nan 8.230 nan 0.000 0.432 123 E N -0.766 119.509 120.200 0.124 0.000 2.160 123 E HA -0.209 4.142 4.350 0.001 0.000 0.195 123 E C 1.893 178.469 176.600 -0.040 0.000 0.991 123 E CA 0.873 57.314 56.400 0.069 0.000 0.810 123 E CB -0.035 29.701 29.700 0.060 0.000 0.742 123 E HN 0.380 nan 8.360 nan 0.000 0.466 124 E N 0.351 120.542 120.200 -0.014 0.000 2.409 124 E HA -0.117 4.233 4.350 0.001 0.000 0.198 124 E C 1.803 178.356 176.600 -0.079 0.000 1.024 124 E CA 0.361 56.750 56.400 -0.019 0.000 0.861 124 E CB 0.103 29.827 29.700 0.040 0.000 0.788 124 E HN 0.310 nan 8.360 nan 0.000 0.521 125 I N 0.879 121.344 120.570 -0.175 0.000 2.439 125 I HA -0.132 4.039 4.170 0.001 0.000 0.251 125 I C 1.322 177.168 176.117 -0.452 0.000 1.139 125 I CA 0.438 61.575 61.300 -0.271 0.000 1.438 125 I CB -0.652 37.176 38.000 -0.288 0.000 1.085 125 I HN 0.127 nan 8.210 nan 0.000 0.427 126 E N 2.652 122.425 120.200 -0.712 0.000 2.415 126 E HA -0.066 4.285 4.350 0.001 0.000 0.263 126 E C -0.114 176.412 176.600 -0.124 0.000 0.995 126 E CA -0.094 55.971 56.400 -0.558 0.000 0.915 126 E CB 0.660 30.125 29.700 -0.392 0.000 0.951 126 E HN 0.107 nan 8.360 nan 0.000 0.449 127 E N 3.561 123.783 120.200 0.037 0.000 2.366 127 E HA 0.078 4.429 4.350 0.001 0.000 0.266 127 E C -0.799 175.905 176.600 0.173 0.000 1.051 127 E CA -0.213 56.281 56.400 0.157 0.000 0.884 127 E CB 0.831 30.701 29.700 0.283 0.000 1.006 127 E HN 0.524 nan 8.360 nan 0.000 0.417 128 D N 0.513 120.984 120.400 0.118 0.000 2.372 128 D HA 0.211 4.851 4.640 0.001 0.000 0.243 128 D C -0.400 175.920 176.300 0.033 0.000 1.121 128 D CA 0.095 54.129 54.000 0.055 0.000 0.898 128 D CB 0.695 41.508 40.800 0.021 0.000 1.202 128 D HN 0.384 nan 8.370 nan 0.000 0.428 129 A N 2.083 124.870 122.820 -0.055 0.000 2.910 129 A HA 0.485 4.805 4.320 0.001 0.000 0.316 129 A C 0.860 178.284 177.584 -0.267 0.000 1.493 129 A CA -0.571 51.239 52.037 -0.378 0.000 1.150 129 A CB -0.269 18.604 19.000 -0.212 0.000 1.159 129 A HN 0.533 nan 8.150 nan 0.000 0.526 130 G N 1.620 110.247 108.800 -0.289 0.000 3.541 130 G HA2 0.415 4.376 3.960 0.001 0.000 0.253 130 G HA3 0.415 4.376 3.960 0.001 0.000 0.253 130 G C 0.285 175.020 174.900 -0.275 0.000 1.017 130 G CA -0.271 44.772 45.100 -0.095 0.000 1.832 130 G HN 0.673 nan 8.290 nan 0.000 0.649 131 L N 1.453 122.554 121.223 -0.205 0.000 2.939 131 L HA 0.397 4.737 4.340 0.001 0.000 0.239 131 L C 1.012 177.847 176.870 -0.058 0.000 1.325 131 L CA -0.264 54.544 54.840 -0.053 0.000 1.170 131 L CB -0.313 41.828 42.059 0.136 0.000 1.538 131 L HN 0.332 nan 8.230 nan 0.000 0.452 132 G N -0.988 107.564 108.800 -0.413 0.000 2.677 132 G HA2 0.236 4.197 3.960 0.001 0.000 0.291 132 G HA3 0.236 4.197 3.960 0.001 0.000 0.291 132 G C -0.402 173.957 174.900 -0.902 0.000 1.435 132 G CA -0.496 44.286 45.100 -0.529 0.000 0.826 132 G HN 0.058 nan 8.290 nan 0.000 0.491 133 N N -1.131 117.270 118.700 -0.499 0.000 2.387 133 N HA 0.394 5.135 4.740 0.001 0.000 0.176 133 N C 1.211 176.628 175.510 -0.156 0.000 1.022 133 N CA 1.230 54.089 53.050 -0.318 0.000 0.883 133 N CB 0.686 39.130 38.487 -0.071 0.000 1.019 133 N HN 0.854 nan 8.380 nan 0.000 0.435 134 G N -1.246 107.562 108.800 0.013 0.000 2.725 134 G HA2 0.221 4.181 3.960 0.001 0.000 0.098 134 G HA3 0.221 4.181 3.960 0.001 0.000 0.098 134 G C 0.713 175.761 174.900 0.247 0.000 1.188 134 G CA -0.063 45.216 45.100 0.299 0.000 1.237 134 G HN 0.127 nan 8.290 nan 0.000 0.596 135 G N 0.451 109.323 108.800 0.121 0.000 2.529 135 G HA2 -0.185 3.776 3.960 0.001 0.000 0.219 135 G HA3 -0.185 3.776 3.960 0.001 0.000 0.219 135 G C 1.903 176.795 174.900 -0.013 0.000 1.177 135 G CA 1.656 46.779 45.100 0.038 0.000 0.773 135 G HN 0.848 nan 8.290 nan 0.000 0.573 136 L N 0.611 121.804 121.223 -0.049 0.000 1.989 136 L HA -0.003 4.338 4.340 0.001 0.000 0.211 136 L C 2.923 179.718 176.870 -0.124 0.000 1.071 136 L CA 2.216 56.946 54.840 -0.183 0.000 0.749 136 L CB -0.677 41.255 42.059 -0.211 0.000 0.890 136 L HN 0.273 nan 8.230 nan 0.000 0.431 137 G N -0.866 107.917 108.800 -0.029 0.000 2.408 137 G HA2 -0.313 3.648 3.960 0.001 0.000 0.217 137 G HA3 -0.313 3.648 3.960 0.001 0.000 0.217 137 G C 1.624 176.578 174.900 0.091 0.000 1.150 137 G CA 0.746 45.845 45.100 -0.002 0.000 0.776 137 G HN 0.304 nan 8.290 nan 0.000 0.542 138 R N 0.050 120.652 120.500 0.171 0.000 2.115 138 R HA 0.110 4.450 4.340 0.001 0.000 0.226 138 R C 2.276 178.562 176.300 -0.024 0.000 1.100 138 R CA 0.796 56.961 56.100 0.108 0.000 0.980 138 R CB -0.820 29.504 30.300 0.040 0.000 0.875 138 R HN 0.338 nan 8.270 nan 0.000 0.445 139 L N 0.066 121.201 121.223 -0.147 0.000 2.083 139 L HA 0.066 4.407 4.340 0.001 0.000 0.209 139 L C 2.005 178.526 176.870 -0.581 0.000 1.083 139 L CA 2.071 56.671 54.840 -0.399 0.000 0.752 139 L CB -0.772 41.020 42.059 -0.444 0.000 0.899 139 L HN 0.230 nan 8.230 nan 0.000 0.433 140 A N -0.551 122.072 122.820 -0.328 0.000 1.930 140 A HA -0.057 4.263 4.320 0.001 0.000 0.217 140 A C 2.444 180.026 177.584 -0.004 0.000 1.175 140 A CA 1.612 53.490 52.037 -0.264 0.000 0.627 140 A CB -1.060 17.738 19.000 -0.337 0.000 0.815 140 A HN 0.554 nan 8.150 nan 0.000 0.443 141 A N -0.911 121.957 122.820 0.080 0.000 1.873 141 A HA -0.160 4.161 4.320 0.001 0.000 0.215 141 A C 2.306 179.958 177.584 0.114 0.000 1.186 141 A CA 1.655 53.790 52.037 0.163 0.000 0.616 141 A CB -1.284 17.803 19.000 0.145 0.000 0.823 141 A HN 0.590 nan 8.150 nan 0.000 0.442 142 C N -1.413 117.947 119.300 0.100 0.000 2.425 142 C HA -0.063 4.398 4.460 0.001 0.000 0.277 142 C C 2.436 177.583 174.990 0.261 0.000 1.280 142 C CA 0.582 59.703 59.018 0.171 0.000 1.744 142 C CB -1.629 26.230 27.740 0.199 0.000 1.989 142 C HN 0.599 nan 8.230 nan 0.000 0.491 143 F N 1.254 121.175 119.950 -0.050 0.000 2.134 143 F HA -0.070 4.458 4.527 0.001 0.000 0.299 143 F C 2.255 178.004 175.800 -0.085 0.000 1.097 143 F CA 1.001 58.928 58.000 -0.122 0.000 1.264 143 F CB -1.418 37.358 39.000 -0.373 0.000 1.001 143 F HN 0.195 nan 8.300 nan 0.000 0.479 144 L N -0.393 120.916 121.223 0.145 0.000 2.042 144 L HA -0.257 4.084 4.340 0.001 0.000 0.210 144 L C 2.141 179.033 176.870 0.038 0.000 1.076 144 L CA 1.974 56.860 54.840 0.077 0.000 0.749 144 L CB -0.788 41.326 42.059 0.091 0.000 0.893 144 L HN 0.107 nan 8.230 nan 0.000 0.432 145 D N -0.510 119.920 120.400 0.050 0.000 2.117 145 D HA -0.158 4.483 4.640 0.001 0.000 0.197 145 D C 2.207 178.529 176.300 0.036 0.000 0.987 145 D CA 1.393 55.406 54.000 0.020 0.000 0.829 145 D CB 0.230 41.036 40.800 0.011 0.000 0.961 145 D HN 0.093 nan 8.370 nan 0.000 0.460 146 S N -0.636 115.103 115.700 0.064 0.000 2.368 146 S HA -0.098 4.372 4.470 0.001 0.000 0.224 146 S C 2.019 176.637 174.600 0.030 0.000 1.029 146 S CA 0.870 59.099 58.200 0.049 0.000 0.988 146 S CB -0.215 63.018 63.200 0.056 0.000 0.838 146 S HN 0.342 nan 8.310 nan 0.000 0.462 147 M N 1.119 120.731 119.600 0.021 0.000 2.159 147 M HA -0.097 4.384 4.480 0.001 0.000 0.263 147 M C 2.459 178.767 176.300 0.013 0.000 1.063 147 M CA 1.439 56.747 55.300 0.015 0.000 1.110 147 M CB -0.573 32.017 32.600 -0.015 0.000 1.374 147 M HN 0.395 nan 8.290 nan 0.000 0.411 148 A N -0.239 122.585 122.820 0.007 0.000 1.929 148 A HA -0.099 4.222 4.320 0.001 0.000 0.216 148 A C 2.172 179.773 177.584 0.028 0.000 1.176 148 A CA 1.876 53.919 52.037 0.010 0.000 0.628 148 A CB -0.974 18.013 19.000 -0.021 0.000 0.816 148 A HN 0.416 nan 8.150 nan 0.000 0.444 149 T N -0.013 114.562 114.554 0.035 0.000 2.915 149 T HA -0.031 4.320 4.350 0.001 0.000 0.269 149 T C 1.213 175.943 174.700 0.050 0.000 1.071 149 T CA 1.039 63.172 62.100 0.056 0.000 1.132 149 T CB -0.176 68.740 68.868 0.080 0.000 0.878 149 T HN 0.179 nan 8.240 nan 0.000 0.479 150 L N 0.498 121.749 121.223 0.046 0.000 2.612 150 L HA 0.370 4.711 4.340 0.001 0.000 0.230 150 L C 1.760 178.664 176.870 0.056 0.000 1.140 150 L CA 0.328 55.196 54.840 0.047 0.000 0.896 150 L CB -0.927 41.160 42.059 0.047 0.000 1.065 150 L HN 0.400 nan 8.230 nan 0.000 0.447 151 G N -0.052 108.785 108.800 0.063 0.000 2.225 151 G HA2 -0.286 3.675 3.960 0.001 0.000 0.267 151 G HA3 -0.286 3.675 3.960 0.001 0.000 0.267 151 G C 0.327 175.298 174.900 0.117 0.000 1.024 151 G CA 0.235 45.395 45.100 0.099 0.000 0.784 151 G HN 0.301 nan 8.290 nan 0.000 0.507 152 L N -0.179 121.078 121.223 0.056 0.000 2.395 152 L HA 0.578 4.919 4.340 0.001 0.000 0.269 152 L C 1.293 178.059 176.870 -0.174 0.000 1.133 152 L CA -0.257 54.569 54.840 -0.024 0.000 0.812 152 L CB 1.406 43.457 42.059 -0.014 0.000 1.125 152 L HN 0.256 nan 8.230 nan 0.000 0.452 153 A N 2.883 125.438 122.820 -0.442 0.000 3.026 153 A HA 0.536 4.857 4.320 0.001 0.000 0.272 153 A C 0.363 177.616 177.584 -0.550 0.000 1.782 153 A CA -0.163 51.250 52.037 -1.041 0.000 1.451 153 A CB -0.721 17.585 19.000 -1.158 0.000 1.081 153 A HN 0.705 nan 8.150 nan 0.000 0.611 154 A N 1.176 123.738 122.820 -0.430 0.000 2.325 154 A HA 0.813 5.134 4.320 0.001 0.000 0.333 154 A C -0.936 176.424 177.584 -0.373 0.000 1.155 154 A CA -0.431 51.421 52.037 -0.308 0.000 0.814 154 A CB 0.731 19.599 19.000 -0.220 0.000 1.206 154 A HN 0.611 nan 8.150 nan 0.000 0.482 155 Y N -0.168 120.052 120.300 -0.133 0.000 2.457 155 Y HA 0.548 5.099 4.550 0.001 0.000 0.343 155 Y C 0.746 176.737 175.900 0.150 0.000 0.994 155 Y CA -0.514 57.598 58.100 0.020 0.000 1.031 155 Y CB 2.603 41.164 38.460 0.169 0.000 1.246 155 Y HN 0.854 nan 8.280 nan 0.000 0.449 156 G N 1.729 110.616 108.800 0.146 0.000 2.343 156 G HA2 0.500 4.461 3.960 0.001 0.000 0.319 156 G HA3 0.500 4.461 3.960 0.001 0.000 0.319 156 G C -1.941 172.941 174.900 -0.030 0.000 1.126 156 G CA -0.349 44.840 45.100 0.148 0.000 0.889 156 G HN 0.520 nan 8.290 nan 0.000 0.457 157 Y N 1.163 121.678 120.300 0.358 0.000 2.331 157 Y HA 0.615 5.166 4.550 0.001 0.000 0.334 157 Y C 0.748 176.962 175.900 0.522 0.000 0.960 157 Y CA 0.108 58.412 58.100 0.340 0.000 1.130 157 Y CB 2.574 41.262 38.460 0.379 0.000 1.164 157 Y HN 0.871 nan 8.280 nan 0.000 0.458 158 G N 2.532 111.648 108.800 0.525 0.000 2.815 158 G HA2 0.618 4.578 3.960 0.001 0.000 0.305 158 G HA3 0.618 4.578 3.960 0.001 0.000 0.305 158 G C -1.725 173.427 174.900 0.419 0.000 1.277 158 G CA -0.828 44.632 45.100 0.600 0.000 0.795 158 G HN 0.416 nan 8.290 nan 0.000 0.528 159 I N 0.489 121.203 120.570 0.241 0.000 2.441 159 I HA 0.426 4.597 4.170 0.001 0.000 0.295 159 I C 0.298 176.319 176.117 -0.160 0.000 0.994 159 I CA -0.738 60.578 61.300 0.025 0.000 1.144 159 I CB 2.224 40.037 38.000 -0.311 0.000 1.314 159 I HN 0.389 nan 8.210 nan 0.000 0.445 160 R N 6.171 126.679 120.500 0.013 0.000 2.891 160 R HA 0.227 4.568 4.340 0.001 0.000 0.248 160 R C -1.250 175.107 176.300 0.094 0.000 1.439 160 R CA -0.448 55.702 56.100 0.083 0.000 1.288 160 R CB -0.088 30.237 30.300 0.041 0.000 1.212 160 R HN 0.392 nan 8.270 nan 0.000 0.605 161 Y N 1.977 122.449 120.300 0.287 0.000 2.511 161 Y HA -0.041 4.510 4.550 0.001 0.000 0.332 161 Y C 1.396 177.497 175.900 0.334 0.000 1.177 161 Y CA -0.088 58.169 58.100 0.261 0.000 1.422 161 Y CB 0.756 39.344 38.460 0.213 0.000 1.271 161 Y HN 0.492 nan 8.280 nan 0.000 0.550 162 E N 1.873 122.262 120.200 0.315 0.000 2.208 162 E HA -0.138 4.213 4.350 0.001 0.000 0.193 162 E C -0.674 175.872 176.600 -0.089 0.000 0.988 162 E CA 1.030 57.429 56.400 -0.002 0.000 0.828 162 E CB -0.126 29.439 29.700 -0.224 0.000 0.763 162 E HN 0.583 nan 8.360 nan 0.000 0.478 163 Y N -0.218 120.321 120.300 0.400 0.000 2.326 163 Y HA 0.516 5.067 4.550 0.001 0.000 0.329 163 Y C 0.964 176.964 175.900 0.167 0.000 0.973 163 Y CA -0.678 57.603 58.100 0.301 0.000 1.162 163 Y CB 1.859 40.418 38.460 0.166 0.000 1.147 163 Y HN -0.149 nan 8.280 nan 0.000 0.456 164 G N 1.705 110.606 108.800 0.168 0.000 2.504 164 G HA2 0.286 4.247 3.960 0.001 0.000 0.257 164 G HA3 0.286 4.247 3.960 0.001 0.000 0.257 164 G C -0.519 174.339 174.900 -0.070 0.000 1.451 164 G CA -0.706 44.346 45.100 -0.080 0.000 1.059 164 G HN 0.600 nan 8.290 nan 0.000 0.550 165 I N 1.148 121.604 120.570 -0.190 0.000 2.741 165 I HA 0.193 4.364 4.170 0.001 0.000 0.288 165 I C 0.622 176.632 176.117 -0.178 0.000 1.192 165 I CA -1.139 60.020 61.300 -0.235 0.000 1.426 165 I CB -0.565 37.205 38.000 -0.384 0.000 1.367 165 I HN 0.340 nan 8.210 nan 0.000 0.563 166 F N 5.442 125.395 119.950 0.005 0.000 2.650 166 F HA 0.121 4.648 4.527 0.001 0.000 0.355 166 F C 0.369 176.213 175.800 0.073 0.000 1.163 166 F CA -0.404 57.622 58.000 0.042 0.000 1.374 166 F CB -0.463 38.550 39.000 0.021 0.000 1.065 166 F HN 0.547 nan 8.300 nan 0.000 0.616 167 N N 1.909 120.771 118.700 0.269 0.000 2.488 167 N HA 0.079 4.820 4.740 0.001 0.000 0.274 167 N C -0.919 174.821 175.510 0.383 0.000 1.111 167 N CA -0.656 52.519 53.050 0.208 0.000 0.974 167 N CB 0.687 39.291 38.487 0.194 0.000 1.089 167 N HN 0.693 nan 8.380 nan 0.000 0.465 168 Q N 2.823 122.807 119.800 0.307 0.000 2.271 168 Q HA 0.278 4.619 4.340 0.001 0.000 0.258 168 Q C -1.147 175.031 176.000 0.296 0.000 0.936 168 Q CA -0.408 55.639 55.803 0.408 0.000 0.909 168 Q CB 0.813 29.803 28.738 0.421 0.000 1.253 168 Q HN 0.426 nan 8.270 nan 0.000 0.440 169 K N 3.308 123.865 120.400 0.261 0.000 2.340 169 K HA 0.543 4.864 4.320 0.001 0.000 0.244 169 K C -0.902 175.818 176.600 0.200 0.000 0.973 169 K CA -1.049 55.367 56.287 0.214 0.000 0.828 169 K CB 1.564 34.162 32.500 0.164 0.000 1.226 169 K HN 0.563 nan 8.250 nan 0.000 0.437 170 I N 2.603 123.291 120.570 0.196 0.000 2.382 170 I HA 0.335 4.506 4.170 0.001 0.000 0.286 170 I C -0.613 175.592 176.117 0.148 0.000 1.002 170 I CA -0.729 60.663 61.300 0.153 0.000 1.135 170 I CB 1.238 39.316 38.000 0.130 0.000 1.288 170 I HN 0.406 nan 8.210 nan 0.000 0.448 171 R N 3.615 124.200 120.500 0.142 0.000 2.439 171 R HA 0.337 4.678 4.340 0.001 0.000 0.310 171 R C -0.218 176.192 176.300 0.185 0.000 0.955 171 R CA -0.587 55.596 56.100 0.138 0.000 0.853 171 R CB 0.439 30.804 30.300 0.108 0.000 1.171 171 R HN 0.562 nan 8.270 nan 0.000 0.449 172 D N 2.434 122.922 120.400 0.147 0.000 2.708 172 D HA -0.194 4.447 4.640 0.001 0.000 0.236 172 D C 0.836 177.210 176.300 0.124 0.000 1.146 172 D CA 2.125 56.221 54.000 0.161 0.000 0.662 172 D CB -0.932 40.005 40.800 0.227 0.000 1.059 172 D HN 0.906 nan 8.370 nan 0.000 0.428 173 G N -2.321 106.479 108.800 0.000 0.000 2.234 173 G HA2 -0.333 3.628 3.960 0.001 0.000 0.260 173 G HA3 -0.333 3.628 3.960 0.001 0.000 0.260 173 G C 0.259 174.970 174.900 -0.314 0.000 0.987 173 G CA 0.481 45.455 45.100 -0.211 0.000 0.625 173 G HN 0.349 nan 8.290 nan 0.000 0.532 174 W N 0.822 122.072 121.300 -0.085 0.000 2.509 174 W HA 0.679 5.340 4.660 0.001 0.000 0.351 174 W C 0.632 177.101 176.519 -0.084 0.000 1.107 174 W CA -0.829 56.458 57.345 -0.097 0.000 1.264 174 W CB 0.683 30.105 29.460 -0.063 0.000 1.312 174 W HN 0.256 nan 8.180 nan 0.000 0.608 175 Q N 1.323 121.229 119.800 0.176 0.000 2.332 175 Q HA 0.407 4.748 4.340 0.001 0.000 0.263 175 Q C -1.270 174.798 176.000 0.112 0.000 0.979 175 Q CA 0.072 55.952 55.803 0.128 0.000 0.885 175 Q CB 0.910 29.724 28.738 0.126 0.000 1.218 175 Q HN 0.455 nan 8.270 nan 0.000 0.405 176 V N 3.998 123.974 119.914 0.104 0.000 2.588 176 V HA 0.283 4.404 4.120 0.001 0.000 0.304 176 V C -1.062 175.052 176.094 0.032 0.000 1.042 176 V CA -0.792 61.532 62.300 0.040 0.000 0.877 176 V CB 2.119 33.978 31.823 0.061 0.000 0.996 176 V HN 0.874 nan 8.190 nan 0.000 0.425 177 E N 2.956 123.092 120.200 -0.106 0.000 2.242 177 E HA 0.616 4.967 4.350 0.001 0.000 0.275 177 E C -0.724 175.878 176.600 0.002 0.000 1.002 177 E CA -0.414 55.897 56.400 -0.148 0.000 0.841 177 E CB 1.441 30.764 29.700 -0.629 0.000 1.109 177 E HN 0.608 nan 8.360 nan 0.000 0.394 178 E N 0.800 121.085 120.200 0.142 0.000 2.256 178 E HA 0.490 4.841 4.350 0.001 0.000 0.268 178 E C -1.117 175.576 176.600 0.155 0.000 0.877 178 E CA -1.121 55.349 56.400 0.116 0.000 0.757 178 E CB 1.968 31.747 29.700 0.131 0.000 1.183 178 E HN 0.598 nan 8.360 nan 0.000 0.418 179 A N 2.533 125.398 122.820 0.075 0.000 2.567 179 A HA -0.048 4.273 4.320 0.001 0.000 0.240 179 A C 0.117 177.843 177.584 0.237 0.000 1.053 179 A CA 0.331 52.411 52.037 0.071 0.000 0.755 179 A CB -0.090 18.832 19.000 -0.129 0.000 0.978 179 A HN 0.612 nan 8.150 nan 0.000 0.507 180 D N 2.319 122.926 120.400 0.346 0.000 2.564 180 D HA 0.232 4.872 4.640 0.001 0.000 0.226 180 D C -0.675 175.925 176.300 0.500 0.000 1.149 180 D CA -0.482 53.731 54.000 0.354 0.000 0.994 180 D CB 0.252 41.201 40.800 0.249 0.000 1.029 180 D HN 0.448 nan 8.370 nan 0.000 0.517 181 D N 3.112 123.765 120.400 0.422 0.000 2.522 181 D HA -0.031 4.610 4.640 0.001 0.000 0.218 181 D C 1.293 177.644 176.300 0.086 0.000 1.149 181 D CA -0.913 53.182 54.000 0.158 0.000 0.981 181 D CB -0.222 40.627 40.800 0.081 0.000 1.041 181 D HN 0.528 nan 8.370 nan 0.000 0.518 182 W N 2.091 123.365 121.300 -0.044 0.000 2.525 182 W HA 0.005 4.666 4.660 0.001 0.000 0.259 182 W C 0.117 176.619 176.519 -0.029 0.000 1.253 182 W CA -0.190 57.150 57.345 -0.008 0.000 1.262 182 W CB -0.847 28.639 29.460 0.042 0.000 1.122 182 W HN 0.212 nan 8.180 nan 0.000 0.607 183 L N 0.977 121.733 121.223 -0.779 0.000 2.607 183 L HA 0.173 4.514 4.340 0.001 0.000 0.228 183 L C 2.617 179.242 176.870 -0.408 0.000 1.123 183 L CA -0.087 54.300 54.840 -0.756 0.000 0.890 183 L CB -0.658 40.837 42.059 -0.942 0.000 1.103 183 L HN -0.137 nan 8.230 nan 0.000 0.468 184 R N 0.995 121.258 120.500 -0.394 0.000 2.133 184 R HA -0.244 4.097 4.340 0.001 0.000 0.245 184 R C 1.395 177.468 176.300 -0.378 0.000 1.137 184 R CA 2.234 58.060 56.100 -0.458 0.000 0.947 184 R CB -0.352 29.503 30.300 -0.741 0.000 0.865 184 R HN 0.284 nan 8.270 nan 0.000 0.437 185 Y N -0.799 119.532 120.300 0.052 0.000 2.457 185 Y HA 0.426 4.977 4.550 0.001 0.000 0.263 185 Y C 0.726 176.684 175.900 0.097 0.000 1.164 185 Y CA 0.087 58.254 58.100 0.112 0.000 1.274 185 Y CB 0.259 38.883 38.460 0.273 0.000 1.097 185 Y HN 0.364 nan 8.280 nan 0.000 0.523 186 G N 1.292 110.151 108.800 0.098 0.000 2.712 186 G HA2 -0.189 3.771 3.960 0.001 0.000 0.686 186 G HA3 -0.189 3.771 3.960 0.001 0.000 0.686 186 G C -1.246 173.736 174.900 0.137 0.000 1.181 186 G CA -0.969 44.156 45.100 0.041 0.000 0.762 186 G HN 0.284 nan 8.290 nan 0.000 0.641 187 N N 2.048 120.755 118.700 0.012 0.000 2.511 187 N HA 0.606 5.346 4.740 0.001 0.000 0.249 187 N C -0.453 175.074 175.510 0.028 0.000 0.971 187 N CA -2.043 51.041 53.050 0.057 0.000 0.938 187 N CB 1.947 40.386 38.487 -0.081 0.000 1.131 187 N HN 0.244 nan 8.380 nan 0.000 0.505 188 P HA -0.006 nan 4.420 nan 0.000 0.229 188 P C 0.289 177.281 177.300 -0.512 0.000 1.160 188 P CA 0.758 63.602 63.100 -0.427 0.000 0.777 188 P CB 0.030 31.287 31.700 -0.739 0.000 0.814 189 W N 1.906 123.238 121.300 0.053 0.000 3.345 189 W HA 0.125 4.786 4.660 0.001 0.000 0.282 189 W C 0.794 177.357 176.519 0.073 0.000 1.302 189 W CA -0.565 56.801 57.345 0.035 0.000 1.724 189 W CB 0.075 29.567 29.460 0.053 0.000 1.104 189 W HN 0.083 nan 8.180 nan 0.000 0.694 190 E N 0.712 121.065 120.200 0.254 0.000 2.256 190 E HA 0.557 4.907 4.350 0.001 0.000 0.267 190 E C -1.016 175.738 176.600 0.257 0.000 0.892 190 E CA -1.268 55.302 56.400 0.283 0.000 0.775 190 E CB 1.953 31.831 29.700 0.297 0.000 1.207 190 E HN -0.300 nan 8.360 nan 0.000 0.420 191 K N 1.570 122.136 120.400 0.276 0.000 2.502 191 K HA 0.213 4.534 4.320 0.001 0.000 0.254 191 K C -1.099 175.516 176.600 0.025 0.000 0.947 191 K CA -0.578 55.807 56.287 0.164 0.000 0.834 191 K CB 1.618 34.228 32.500 0.184 0.000 1.112 191 K HN 0.664 nan 8.250 nan 0.000 0.427 192 S N 4.037 119.648 115.700 -0.148 0.000 2.562 192 S HA 0.336 4.806 4.470 0.001 0.000 0.281 192 S C -0.102 174.331 174.600 -0.279 0.000 1.333 192 S CA -0.551 57.314 58.200 -0.558 0.000 1.052 192 S CB 0.651 63.450 63.200 -0.669 0.000 0.884 192 S HN 0.510 nan 8.310 nan 0.000 0.506 193 R N 2.686 123.029 120.500 -0.261 0.000 2.724 193 R HA 0.288 4.629 4.340 0.001 0.000 0.284 193 R C -2.024 174.242 176.300 -0.056 0.000 1.481 193 R CA -2.359 53.696 56.100 -0.074 0.000 1.652 193 R CB 0.240 30.590 30.300 0.083 0.000 1.175 193 R HN 0.579 nan 8.270 nan 0.000 0.613 194 P HA -0.244 nan 4.420 nan 0.000 0.216 194 P C 0.968 178.227 177.300 -0.068 0.000 1.153 194 P CA 1.390 64.447 63.100 -0.072 0.000 0.858 194 P CB 0.325 31.977 31.700 -0.081 0.000 0.789 195 E N -0.309 119.787 120.200 -0.172 0.000 2.331 195 E HA -0.167 4.183 4.350 0.001 0.000 0.199 195 E C 0.916 177.307 176.600 -0.348 0.000 1.008 195 E CA 0.985 57.206 56.400 -0.299 0.000 0.843 195 E CB -0.912 28.509 29.700 -0.466 0.000 0.761 195 E HN 0.270 nan 8.360 nan 0.000 0.507 196 F N 0.798 120.763 119.950 0.024 0.000 2.641 196 F HA 0.347 4.875 4.527 0.001 0.000 0.302 196 F C 1.092 177.005 175.800 0.187 0.000 1.098 196 F CA -0.576 57.478 58.000 0.090 0.000 1.318 196 F CB -0.079 38.966 39.000 0.074 0.000 1.035 196 F HN -0.086 nan 8.300 nan 0.000 0.551 197 M N 1.358 121.117 119.600 0.267 0.000 2.252 197 M HA 0.217 4.698 4.480 0.001 0.000 0.329 197 M C -0.892 175.543 176.300 0.226 0.000 1.101 197 M CA 0.904 56.368 55.300 0.273 0.000 1.117 197 M CB 0.434 33.129 32.600 0.159 0.000 1.563 197 M HN 0.051 nan 8.290 nan 0.000 0.445 198 L N 5.632 126.961 121.223 0.176 0.000 2.393 198 L HA 0.672 5.013 4.340 0.001 0.000 0.260 198 L C -2.425 174.415 176.870 -0.050 0.000 1.002 198 L CA -1.945 52.911 54.840 0.027 0.000 0.818 198 L CB 2.449 44.451 42.059 -0.094 0.000 1.369 198 L HN 0.536 nan 8.230 nan 0.000 0.412 199 P HA 0.348 nan 4.420 nan 0.000 0.292 199 P C -1.316 175.805 177.300 -0.297 0.000 1.283 199 P CA -0.484 62.514 63.100 -0.170 0.000 0.835 199 P CB 2.380 33.975 31.700 -0.174 0.000 1.017 200 V N 3.784 123.499 119.914 -0.333 0.000 2.604 200 V HA 0.338 4.459 4.120 0.001 0.000 0.305 200 V C 0.169 175.944 176.094 -0.532 0.000 1.043 200 V CA -0.616 61.452 62.300 -0.387 0.000 0.888 200 V CB 1.563 33.226 31.823 -0.267 0.000 0.995 200 V HN 0.612 nan 8.190 nan 0.000 0.429 201 H N 3.630 122.494 119.070 -0.344 0.000 2.499 201 H HA 0.644 5.200 4.556 0.001 0.000 0.340 201 H C -1.335 173.642 175.328 -0.587 0.000 1.148 201 H CA -0.208 55.545 56.048 -0.491 0.000 1.215 201 H CB 1.941 31.163 29.762 -0.900 0.000 1.529 201 H HN 0.456 nan 8.280 nan 0.000 0.510 202 F N -0.063 119.916 119.950 0.048 0.000 2.613 202 F HA 0.217 4.745 4.527 0.001 0.000 0.314 202 F C -0.002 175.916 175.800 0.197 0.000 1.075 202 F CA -0.607 57.456 58.000 0.105 0.000 0.945 202 F CB 0.902 39.885 39.000 -0.028 0.000 1.310 202 F HN 0.621 nan 8.300 nan 0.000 0.467 203 Y N 0.361 120.967 120.300 0.510 0.000 2.887 203 Y HA -0.101 4.450 4.550 0.001 0.000 0.467 203 Y C 1.553 177.713 175.900 0.432 0.000 1.191 203 Y CA 1.080 59.399 58.100 0.364 0.000 2.539 203 Y CB -1.787 36.808 38.460 0.224 0.000 1.225 203 Y HN 1.231 nan 8.280 nan 0.000 0.630 204 G N 0.478 109.556 108.800 0.464 0.000 2.601 204 G HA2 -0.139 3.822 3.960 0.001 0.000 0.252 204 G HA3 -0.139 3.822 3.960 0.001 0.000 0.252 204 G C -0.578 174.533 174.900 0.352 0.000 1.294 204 G CA 0.609 45.891 45.100 0.304 0.000 0.912 204 G HN 0.854 nan 8.290 nan 0.000 0.574 205 K N -1.908 118.689 120.400 0.330 0.000 2.555 205 K HA 0.629 4.949 4.320 0.001 0.000 0.279 205 K C -0.531 176.197 176.600 0.213 0.000 0.986 205 K CA -0.728 55.698 56.287 0.232 0.000 0.880 205 K CB 2.133 34.710 32.500 0.128 0.000 1.474 205 K HN 0.681 nan 8.250 nan 0.000 0.433 206 V N 1.235 121.180 119.914 0.052 0.000 2.617 206 V HA 0.438 4.558 4.120 0.001 0.000 0.298 206 V C -0.525 175.464 176.094 -0.175 0.000 1.048 206 V CA -0.400 61.844 62.300 -0.093 0.000 0.964 206 V CB 1.427 33.128 31.823 -0.203 0.000 1.004 206 V HN 0.792 nan 8.190 nan 0.000 0.466 207 E N 1.239 121.263 120.200 -0.294 0.000 2.287 207 E HA 0.341 4.691 4.350 0.001 0.000 0.274 207 E C -1.246 175.154 176.600 -0.334 0.000 0.896 207 E CA -0.656 55.605 56.400 -0.232 0.000 0.788 207 E CB 0.967 30.622 29.700 -0.076 0.000 1.244 207 E HN 0.812 nan 8.360 nan 0.000 0.408 208 H N 3.566 122.646 119.070 0.016 0.000 2.652 208 H HA 0.123 4.679 4.556 0.001 0.000 0.233 208 H C 0.392 175.726 175.328 0.011 0.000 1.762 208 H CA -0.050 56.004 56.048 0.010 0.000 1.285 208 H CB -0.150 29.611 29.762 -0.001 0.000 1.668 208 H HN 0.526 nan 8.280 nan 0.000 0.550 209 T N -1.631 112.963 114.554 0.066 0.000 2.701 209 T HA 0.014 4.365 4.350 0.001 0.000 0.303 209 T C 1.358 176.091 174.700 0.055 0.000 1.030 209 T CA -0.489 61.640 62.100 0.050 0.000 1.010 209 T CB 0.984 69.868 68.868 0.028 0.000 1.007 209 T HN 0.493 nan 8.240 nan 0.000 0.532 210 N N -0.008 118.716 118.700 0.040 0.000 2.512 210 N HA -0.037 4.704 4.740 0.001 0.000 0.183 210 N C 1.133 176.663 175.510 0.034 0.000 1.073 210 N CA 0.971 54.042 53.050 0.035 0.000 0.911 210 N CB -0.138 38.364 38.487 0.026 0.000 0.964 210 N HN 0.832 nan 8.380 nan 0.000 0.447 211 T N -1.685 112.889 114.554 0.033 0.000 3.206 211 T HA 0.463 4.813 4.350 0.001 0.000 0.253 211 T C 0.777 175.499 174.700 0.038 0.000 1.042 211 T CA -0.207 61.913 62.100 0.032 0.000 0.931 211 T CB 0.564 69.448 68.868 0.026 0.000 1.029 211 T HN 0.284 nan 8.240 nan 0.000 0.564 212 G N 0.724 109.553 108.800 0.048 0.000 2.541 212 G HA2 0.042 4.003 3.960 0.001 0.000 0.686 212 G HA3 0.042 4.003 3.960 0.001 0.000 0.686 212 G C -0.559 174.383 174.900 0.069 0.000 1.286 212 G CA -0.799 44.338 45.100 0.061 0.000 0.894 212 G HN 0.342 nan 8.290 nan 0.000 0.575 213 T N 1.585 116.194 114.554 0.091 0.000 2.907 213 T HA 0.529 4.880 4.350 0.001 0.000 0.298 213 T C 0.316 175.017 174.700 0.003 0.000 1.017 213 T CA 0.208 62.347 62.100 0.066 0.000 1.118 213 T CB 0.680 69.634 68.868 0.143 0.000 0.948 213 T HN 0.578 nan 8.240 nan 0.000 0.531 214 K N 1.611 121.982 120.400 -0.050 0.000 2.443 214 K HA 0.257 4.577 4.320 0.001 0.000 0.252 214 K C -1.411 175.221 176.600 0.052 0.000 0.933 214 K CA -0.818 55.469 56.287 0.001 0.000 0.792 214 K CB 1.962 34.458 32.500 -0.006 0.000 1.185 214 K HN 0.520 nan 8.250 nan 0.000 0.425 215 W N 6.900 128.116 121.300 -0.140 0.000 2.311 215 W HA 0.369 5.030 4.660 0.001 0.000 0.317 215 W C -0.735 175.713 176.519 -0.118 0.000 1.065 215 W CA -1.326 55.940 57.345 -0.133 0.000 1.364 215 W CB -0.156 29.216 29.460 -0.147 0.000 1.233 215 W HN 0.583 nan 8.180 nan 0.000 0.409 216 I N 1.880 122.507 120.570 0.094 0.000 3.133 216 I HA 0.532 4.702 4.170 0.001 0.000 0.311 216 I C 0.073 176.169 176.117 -0.034 0.000 1.072 216 I CA -0.915 60.361 61.300 -0.041 0.000 1.015 216 I CB 1.905 39.902 38.000 -0.004 0.000 1.233 216 I HN 0.220 nan 8.210 nan 0.000 0.473 217 D N 0.840 121.218 120.400 -0.038 0.000 2.811 217 D HA -0.160 4.481 4.640 0.001 0.000 0.231 217 D C 0.288 176.590 176.300 0.004 0.000 1.157 217 D CA 1.400 55.400 54.000 -0.000 0.000 0.716 217 D CB -1.627 39.194 40.800 0.036 0.000 1.077 217 D HN 0.984 nan 8.370 nan 0.000 0.428 218 T N -2.678 111.823 114.554 -0.089 0.000 2.849 218 T HA 0.397 4.747 4.350 0.001 0.000 0.284 218 T C 0.457 175.196 174.700 0.065 0.000 1.004 218 T CA -0.770 61.287 62.100 -0.072 0.000 1.021 218 T CB 2.066 70.685 68.868 -0.415 0.000 1.013 218 T HN -0.112 nan 8.240 nan 0.000 0.527 219 Q N 0.695 120.599 119.800 0.174 0.000 2.235 219 Q HA 0.544 4.884 4.340 0.001 0.000 0.250 219 Q C -0.724 175.372 176.000 0.160 0.000 0.909 219 Q CA -0.611 55.310 55.803 0.197 0.000 0.910 219 Q CB 1.961 30.894 28.738 0.324 0.000 1.223 219 Q HN 0.592 nan 8.270 nan 0.000 0.432 220 V N 2.146 122.112 119.914 0.086 0.000 2.513 220 V HA 0.499 4.620 4.120 0.001 0.000 0.299 220 V C -0.257 175.881 176.094 0.074 0.000 1.035 220 V CA -0.714 61.572 62.300 -0.023 0.000 0.889 220 V CB 2.098 33.855 31.823 -0.109 0.000 0.988 220 V HN 0.479 nan 8.190 nan 0.000 0.440 221 V N 5.756 125.738 119.914 0.112 0.000 2.588 221 V HA 0.476 4.596 4.120 0.001 0.000 0.304 221 V C -0.210 175.987 176.094 0.171 0.000 1.042 221 V CA -0.578 61.840 62.300 0.195 0.000 0.877 221 V CB 1.921 33.961 31.823 0.361 0.000 0.996 221 V HN 0.635 nan 8.190 nan 0.000 0.425 222 L N 3.693 125.018 121.223 0.170 0.000 2.350 222 L HA 0.730 5.070 4.340 0.001 0.000 0.275 222 L C 0.477 177.546 176.870 0.332 0.000 1.099 222 L CA -0.327 54.617 54.840 0.173 0.000 0.808 222 L CB 1.330 43.471 42.059 0.137 0.000 1.149 222 L HN 0.747 nan 8.230 nan 0.000 0.442 223 A N 3.973 126.959 122.820 0.276 0.000 2.267 223 A HA 0.563 4.883 4.320 0.001 0.000 0.315 223 A C -0.910 177.010 177.584 0.560 0.000 1.297 223 A CA -0.442 51.833 52.037 0.395 0.000 0.865 223 A CB 0.883 19.728 19.000 -0.258 0.000 1.165 223 A HN 0.505 nan 8.150 nan 0.000 0.513 224 L N 5.887 127.460 121.223 0.583 0.000 2.265 224 L HA 0.598 4.939 4.340 0.001 0.000 0.289 224 L C -2.422 174.671 176.870 0.372 0.000 1.033 224 L CA -2.063 53.026 54.840 0.414 0.000 0.814 224 L CB 1.244 43.484 42.059 0.302 0.000 1.203 224 L HN 0.394 nan 8.230 nan 0.000 0.423 225 P HA 0.207 nan 4.420 nan 0.000 0.284 225 P C -1.744 175.410 177.300 -0.245 0.000 1.253 225 P CA -0.105 62.746 63.100 -0.414 0.000 0.800 225 P CB 0.635 31.772 31.700 -0.938 0.000 0.961 226 Y N 0.716 120.892 120.300 -0.207 0.000 2.350 226 Y HA 0.294 4.845 4.550 0.001 0.000 0.338 226 Y C 0.276 176.133 175.900 -0.072 0.000 0.961 226 Y CA -0.529 57.533 58.100 -0.063 0.000 1.100 226 Y CB 1.651 40.117 38.460 0.010 0.000 1.179 226 Y HN 0.222 nan 8.280 nan 0.000 0.454 227 D N 2.034 122.516 120.400 0.137 0.000 2.193 227 D HA 0.363 5.003 4.640 0.001 0.000 0.244 227 D C -0.670 175.845 176.300 0.359 0.000 1.064 227 D CA -0.204 53.924 54.000 0.212 0.000 0.845 227 D CB 1.855 42.805 40.800 0.250 0.000 1.148 227 D HN 0.372 nan 8.370 nan 0.000 0.464 228 T N 3.375 118.060 114.554 0.218 0.000 2.824 228 T HA 0.451 4.801 4.350 0.001 0.000 0.282 228 T C -2.515 172.061 174.700 -0.207 0.000 0.993 228 T CA -1.451 60.692 62.100 0.072 0.000 0.967 228 T CB 2.035 70.936 68.868 0.055 0.000 0.960 228 T HN 0.179 nan 8.240 nan 0.000 0.441 229 P HA 0.283 nan 4.420 nan 0.000 0.275 229 P C -0.969 176.003 177.300 -0.546 0.000 1.227 229 P CA -0.364 62.055 63.100 -1.136 0.000 0.781 229 P CB 0.864 31.668 31.700 -1.493 0.000 0.906 230 V N 5.307 124.953 119.914 -0.447 0.000 2.289 230 V HA 0.244 4.365 4.120 0.001 0.000 0.272 230 V C -1.995 173.965 176.094 -0.222 0.000 1.026 230 V CA -1.912 60.232 62.300 -0.260 0.000 0.807 230 V CB 1.308 33.030 31.823 -0.167 0.000 1.044 230 V HN 0.550 nan 8.190 nan 0.000 0.443 231 P HA 0.228 nan 4.420 nan 0.000 0.281 231 P C 0.385 177.635 177.300 -0.082 0.000 1.252 231 P CA 0.370 63.380 63.100 -0.149 0.000 0.778 231 P CB 1.650 33.258 31.700 -0.153 0.000 0.895 232 G N 2.732 111.502 108.800 -0.051 0.000 2.572 232 G HA2 0.130 4.091 3.960 0.001 0.000 0.261 232 G HA3 0.130 4.091 3.960 0.001 0.000 0.261 232 G C -1.129 173.782 174.900 0.018 0.000 1.197 232 G CA -0.414 44.684 45.100 -0.003 0.000 0.870 232 G HN 0.485 nan 8.290 nan 0.000 0.548 233 Y N 2.198 122.460 120.300 -0.063 0.000 2.531 233 Y HA 0.220 4.771 4.550 0.001 0.000 0.347 233 Y C 1.004 176.867 175.900 -0.062 0.000 1.024 233 Y CA -0.824 57.233 58.100 -0.071 0.000 1.306 233 Y CB 0.193 38.607 38.460 -0.075 0.000 1.149 233 Y HN 0.464 nan 8.280 nan 0.000 0.527 234 M N 5.476 124.724 119.600 -0.587 0.000 2.259 234 M HA -0.352 4.129 4.480 0.001 0.000 0.188 234 M C -0.270 175.884 176.300 -0.243 0.000 0.665 234 M CA 1.630 56.634 55.300 -0.493 0.000 0.464 234 M CB -2.080 30.064 32.600 -0.761 0.000 1.063 234 M HN 0.910 nan 8.290 nan 0.000 0.912 235 N N -1.814 116.798 118.700 -0.147 0.000 2.110 235 N HA 0.138 4.879 4.740 0.001 0.000 0.230 235 N C 0.346 175.816 175.510 -0.067 0.000 1.353 235 N CA -0.013 52.985 53.050 -0.086 0.000 0.807 235 N CB 0.591 39.050 38.487 -0.046 0.000 1.244 235 N HN 0.272 nan 8.380 nan 0.000 0.504 236 N N 0.154 118.813 118.700 -0.069 0.000 2.929 236 N HA -0.177 4.564 4.740 0.001 0.000 0.234 236 N C -0.339 175.142 175.510 -0.048 0.000 0.908 236 N CA 2.118 55.136 53.050 -0.054 0.000 0.993 236 N CB -1.501 36.950 38.487 -0.060 0.000 1.075 236 N HN 0.722 nan 8.380 nan 0.000 0.603 237 T N -0.738 113.792 114.554 -0.040 0.000 2.837 237 T HA 0.631 4.982 4.350 0.001 0.000 0.285 237 T C -0.268 174.415 174.700 -0.027 0.000 0.984 237 T CA -0.457 61.628 62.100 -0.024 0.000 1.049 237 T CB 1.787 70.668 68.868 0.022 0.000 0.947 237 T HN -0.050 nan 8.240 nan 0.000 0.472 238 V N 5.847 125.752 119.914 -0.015 0.000 2.447 238 V HA 0.400 4.520 4.120 0.001 0.000 0.292 238 V C 0.204 176.296 176.094 -0.003 0.000 1.021 238 V CA -0.968 61.283 62.300 -0.081 0.000 0.850 238 V CB 1.138 32.876 31.823 -0.141 0.000 1.005 238 V HN 1.007 nan 8.190 nan 0.000 0.426 239 N N 1.987 120.650 118.700 -0.062 0.000 2.476 239 N HA 0.605 5.346 4.740 0.001 0.000 0.287 239 N C -0.462 175.040 175.510 -0.014 0.000 1.262 239 N CA -0.623 52.416 53.050 -0.019 0.000 0.980 239 N CB 1.052 39.486 38.487 -0.089 0.000 1.163 239 N HN 0.567 nan 8.380 nan 0.000 0.592 240 T N 0.943 115.480 114.554 -0.028 0.000 2.841 240 T HA 0.362 4.712 4.350 0.001 0.000 0.283 240 T C -0.785 173.887 174.700 -0.046 0.000 1.000 240 T CA -0.486 61.677 62.100 0.105 0.000 0.977 240 T CB 1.124 70.164 68.868 0.286 0.000 0.979 240 T HN 0.329 nan 8.240 nan 0.000 0.446 241 M N 3.639 123.191 119.600 -0.080 0.000 2.072 241 M HA 0.513 4.994 4.480 0.001 0.000 0.331 241 M C -0.600 175.563 176.300 -0.229 0.000 1.004 241 M CA -0.747 54.413 55.300 -0.234 0.000 0.952 241 M CB 0.786 33.209 32.600 -0.296 0.000 1.511 241 M HN 0.475 nan 8.290 nan 0.000 0.422 242 R N 4.864 125.126 120.500 -0.397 0.000 2.246 242 R HA 0.539 4.880 4.340 0.001 0.000 0.332 242 R C -1.938 174.081 176.300 -0.468 0.000 0.974 242 R CA -0.573 55.239 56.100 -0.480 0.000 0.837 242 R CB 0.823 30.676 30.300 -0.745 0.000 1.145 242 R HN 0.630 nan 8.270 nan 0.000 0.467 243 L N 5.321 126.369 121.223 -0.292 0.000 2.307 243 L HA 0.482 4.822 4.340 0.001 0.000 0.284 243 L C -0.968 175.847 176.870 -0.091 0.000 1.023 243 L CA -0.662 54.113 54.840 -0.107 0.000 0.810 243 L CB 1.164 43.239 42.059 0.026 0.000 1.231 243 L HN 0.612 nan 8.230 nan 0.000 0.423 244 W N 2.016 123.438 121.300 0.204 0.000 2.417 244 W HA 0.609 5.270 4.660 0.001 0.000 0.317 244 W C 0.489 177.259 176.519 0.418 0.000 1.121 244 W CA -0.353 57.156 57.345 0.274 0.000 1.208 244 W CB 1.556 31.050 29.460 0.055 0.000 1.253 244 W HN 0.474 nan 8.180 nan 0.000 0.533 245 S N 2.286 118.392 115.700 0.677 0.000 2.472 245 S HA 0.805 5.276 4.470 0.001 0.000 0.303 245 S C -0.364 174.561 174.600 0.542 0.000 1.099 245 S CA -0.704 57.780 58.200 0.473 0.000 1.077 245 S CB 0.685 64.094 63.200 0.347 0.000 1.031 245 S HN 0.560 nan 8.310 nan 0.000 0.487 246 A N 3.674 126.623 122.820 0.215 0.000 2.363 246 A HA 0.785 5.106 4.320 0.001 0.000 0.270 246 A C -0.021 177.644 177.584 0.135 0.000 1.121 246 A CA -0.412 51.663 52.037 0.063 0.000 0.800 246 A CB 0.320 19.097 19.000 -0.372 0.000 1.052 246 A HN 0.765 nan 8.150 nan 0.000 0.493 247 R N 0.841 121.446 120.500 0.176 0.000 2.604 247 R HA 0.615 4.956 4.340 0.001 0.000 0.281 247 R C -0.323 176.043 176.300 0.110 0.000 1.020 247 R CA 0.138 56.320 56.100 0.137 0.000 0.899 247 R CB 1.736 32.134 30.300 0.164 0.000 1.205 247 R HN 1.030 nan 8.270 nan 0.000 0.450 248 A N 5.286 128.152 122.820 0.077 0.000 2.462 248 A HA 0.427 4.748 4.320 0.001 0.000 0.243 248 A C -1.846 175.776 177.584 0.062 0.000 1.076 248 A CA -0.832 51.243 52.037 0.062 0.000 0.773 248 A CB -0.422 18.603 19.000 0.041 0.000 1.010 248 A HN 0.614 nan 8.150 nan 0.000 0.493 261 D N -0.773 119.666 120.400 0.067 0.000 2.117 261 D HA -0.088 4.552 4.640 0.001 0.000 0.198 261 D C 1.933 178.275 176.300 0.070 0.000 0.982 261 D CA 1.883 55.917 54.000 0.056 0.000 0.828 261 D CB -0.187 40.649 40.800 0.060 0.000 0.967 261 D HN 0.266 nan 8.370 nan 0.000 0.464 262 Y N 0.524 120.828 120.300 0.006 0.000 2.145 262 Y HA -0.159 4.391 4.550 0.001 0.000 0.286 262 Y C 2.041 177.946 175.900 0.008 0.000 1.145 262 Y CA 1.379 59.483 58.100 0.007 0.000 1.148 262 Y CB -0.538 37.926 38.460 0.007 0.000 0.981 262 Y HN -0.066 nan 8.280 nan 0.000 0.507 263 I N 0.848 121.336 120.570 -0.136 0.000 2.163 263 I HA -0.314 3.857 4.170 0.001 0.000 0.243 263 I C 2.518 178.521 176.117 -0.190 0.000 1.085 263 I CA 1.444 62.612 61.300 -0.220 0.000 1.347 263 I CB -1.006 36.981 38.000 -0.020 0.000 1.044 263 I HN 0.318 nan 8.210 nan 0.000 0.408 264 Q N 0.085 119.825 119.800 -0.098 0.000 2.096 264 Q HA -0.181 4.160 4.340 0.001 0.000 0.204 264 Q C 2.440 178.384 176.000 -0.094 0.000 0.982 264 Q CA 1.963 57.723 55.803 -0.072 0.000 0.850 264 Q CB -0.620 28.097 28.738 -0.034 0.000 0.901 264 Q HN 0.581 nan 8.270 nan 0.000 0.422 265 A N 0.079 122.830 122.820 -0.114 0.000 1.908 265 A HA -0.149 4.171 4.320 0.001 0.000 0.218 265 A C 2.426 179.926 177.584 -0.141 0.000 1.181 265 A CA 1.729 53.704 52.037 -0.104 0.000 0.627 265 A CB -0.667 18.284 19.000 -0.082 0.000 0.818 265 A HN 0.228 nan 8.150 nan 0.000 0.445 266 V N -0.405 119.357 119.914 -0.254 0.000 2.270 266 V HA -0.206 3.915 4.120 0.001 0.000 0.245 266 V C 2.474 178.495 176.094 -0.123 0.000 1.043 266 V CA 1.781 63.947 62.300 -0.223 0.000 1.014 266 V CB -0.786 30.826 31.823 -0.350 0.000 0.645 266 V HN 0.469 nan 8.190 nan 0.000 0.447 267 L N 0.216 121.370 121.223 -0.115 0.000 2.079 267 L HA -0.195 4.145 4.340 0.001 0.000 0.210 267 L C 2.070 178.914 176.870 -0.043 0.000 1.081 267 L CA 1.825 56.627 54.840 -0.064 0.000 0.752 267 L CB -1.171 40.856 42.059 -0.054 0.000 0.896 267 L HN 0.344 nan 8.230 nan 0.000 0.433 268 D N -0.771 119.601 120.400 -0.048 0.000 2.351 268 D HA -0.136 4.505 4.640 0.001 0.000 0.216 268 D C 2.221 178.510 176.300 -0.019 0.000 0.968 268 D CA 0.455 54.438 54.000 -0.029 0.000 0.899 268 D CB -0.066 40.716 40.800 -0.029 0.000 0.907 268 D HN 0.314 nan 8.370 nan 0.000 0.514 269 R N 0.420 120.906 120.500 -0.022 0.000 2.193 269 R HA -0.052 4.288 4.340 0.001 0.000 0.229 269 R C 1.616 177.918 176.300 0.003 0.000 1.110 269 R CA 0.510 56.607 56.100 -0.005 0.000 0.988 269 R CB -0.041 30.255 30.300 -0.006 0.000 0.871 269 R HN 0.153 nan 8.270 nan 0.000 0.458 270 N N 0.911 119.611 118.700 -0.000 0.000 2.205 270 N HA -0.158 4.583 4.740 0.001 0.000 0.186 270 N C 1.742 177.256 175.510 0.006 0.000 1.015 270 N CA 1.071 54.127 53.050 0.009 0.000 0.862 270 N CB -0.186 38.306 38.487 0.009 0.000 0.986 270 N HN 0.246 nan 8.380 nan 0.000 0.429 271 L N 0.617 121.839 121.223 -0.000 0.000 2.012 271 L HA -0.162 4.179 4.340 0.001 0.000 0.210 271 L C 2.450 179.310 176.870 -0.017 0.000 1.073 271 L CA 1.467 56.305 54.840 -0.005 0.000 0.748 271 L CB -0.613 41.444 42.059 -0.003 0.000 0.891 271 L HN 0.133 nan 8.230 nan 0.000 0.431 272 A N -0.204 122.611 122.820 -0.008 0.000 1.930 272 A HA -0.198 4.123 4.320 0.001 0.000 0.217 272 A C 2.108 179.666 177.584 -0.043 0.000 1.175 272 A CA 1.543 53.570 52.037 -0.017 0.000 0.627 272 A CB -0.420 18.597 19.000 0.028 0.000 0.815 272 A HN 0.467 nan 8.150 nan 0.000 0.443 273 E N -0.185 120.006 120.200 -0.014 0.000 2.347 273 E HA -0.089 4.262 4.350 0.001 0.000 0.196 273 E C 1.388 177.980 176.600 -0.014 0.000 1.008 273 E CA 0.569 56.962 56.400 -0.012 0.000 0.852 273 E CB -0.248 29.467 29.700 0.025 0.000 0.783 273 E HN 0.725 nan 8.360 nan 0.000 0.505 274 N N 0.524 119.218 118.700 -0.010 0.000 2.453 274 N HA -0.087 4.654 4.740 0.001 0.000 0.183 274 N C 1.617 177.130 175.510 0.004 0.000 1.041 274 N CA 0.252 53.312 53.050 0.017 0.000 0.900 274 N CB 0.032 38.528 38.487 0.015 0.000 0.961 274 N HN 0.145 nan 8.380 nan 0.000 0.443 275 I N 0.453 120.968 120.570 -0.091 0.000 2.163 275 I HA -0.249 3.922 4.170 0.001 0.000 0.243 275 I C 1.778 177.848 176.117 -0.080 0.000 1.085 275 I CA 1.177 62.385 61.300 -0.152 0.000 1.347 275 I CB -0.242 37.519 38.000 -0.399 0.000 1.044 275 I HN 0.184 nan 8.210 nan 0.000 0.408 276 S N -0.284 115.345 115.700 -0.118 0.000 2.583 276 S HA 0.173 4.644 4.470 0.001 0.000 0.239 276 S C 1.461 176.186 174.600 0.207 0.000 0.966 276 S CA -0.514 57.705 58.200 0.032 0.000 0.973 276 S CB 0.225 63.412 63.200 -0.023 0.000 0.794 276 S HN 0.214 nan 8.310 nan 0.000 0.463 277 R N 1.765 122.393 120.500 0.214 0.000 2.062 277 R HA 0.148 4.488 4.340 0.001 0.000 0.229 277 R C 0.145 176.695 176.300 0.418 0.000 1.128 277 R CA 1.427 57.697 56.100 0.285 0.000 0.960 277 R CB -0.237 30.191 30.300 0.214 0.000 0.855 277 R HN 0.425 nan 8.270 nan 0.000 0.432 278 V N 0.636 120.750 119.914 0.333 0.000 2.841 278 V HA 0.334 4.455 4.120 0.001 0.000 0.310 278 V C -0.972 175.084 176.094 -0.063 0.000 1.090 278 V CA -1.480 60.932 62.300 0.187 0.000 0.930 278 V CB 1.711 33.535 31.823 0.001 0.000 1.014 278 V HN 0.092 nan 8.190 nan 0.000 0.425 279 L N 3.391 124.343 121.223 -0.452 0.000 2.360 279 L HA 0.465 4.806 4.340 0.001 0.000 0.276 279 L C -0.601 176.086 176.870 -0.305 0.000 1.121 279 L CA 0.263 54.577 54.840 -0.877 0.000 0.845 279 L CB 0.076 41.605 42.059 -0.882 0.000 1.143 279 L HN 0.614 nan 8.230 nan 0.000 0.452 280 Y N 7.212 127.398 120.300 -0.190 0.000 2.605 280 Y HA 0.178 4.729 4.550 0.001 0.000 0.336 280 Y C -1.330 174.550 175.900 -0.034 0.000 1.111 280 Y CA -1.325 56.746 58.100 -0.047 0.000 1.422 280 Y CB 0.297 38.757 38.460 -0.001 0.000 1.193 280 Y HN 0.579 nan 8.280 nan 0.000 0.526 281 P HA -0.043 nan 4.420 nan 0.000 0.269 281 P C -1.052 176.368 177.300 0.199 0.000 1.461 281 P CA 0.279 63.468 63.100 0.148 0.000 0.809 281 P CB -0.208 31.663 31.700 0.286 0.000 1.503 282 N N 0.832 119.659 118.700 0.212 0.000 2.438 282 N HA 0.211 4.951 4.740 0.001 0.000 0.282 282 N C -0.502 175.148 175.510 0.233 0.000 1.037 282 N CA -0.512 52.694 53.050 0.259 0.000 0.942 282 N CB 1.110 39.799 38.487 0.338 0.000 1.136 282 N HN -0.019 nan 8.380 nan 0.000 0.481 283 D N 1.930 122.497 120.400 0.279 0.000 2.425 283 D HA 0.182 4.822 4.640 0.001 0.000 0.240 283 D C -0.781 175.742 176.300 0.373 0.000 1.080 283 D CA -0.393 53.772 54.000 0.276 0.000 0.836 283 D CB 0.345 41.299 40.800 0.256 0.000 1.125 283 D HN 0.560 nan 8.370 nan 0.000 0.525 284 N N 2.314 121.201 118.700 0.311 0.000 2.725 284 N HA -0.259 4.482 4.740 0.001 0.000 0.251 284 N C -1.426 174.332 175.510 0.413 0.000 1.031 284 N CA 0.676 53.906 53.050 0.299 0.000 0.720 284 N CB -1.026 37.600 38.487 0.232 0.000 0.930 284 N HN 0.338 nan 8.380 nan 0.000 0.543 285 F N 0.570 120.627 119.950 0.179 0.000 2.623 285 F HA 0.457 4.985 4.527 0.001 0.000 0.323 285 F C -1.577 174.298 175.800 0.125 0.000 1.158 285 F CA -1.369 56.706 58.000 0.125 0.000 1.030 285 F CB 0.854 39.877 39.000 0.038 0.000 1.280 285 F HN -0.048 nan 8.300 nan 0.000 0.474 286 F N 6.102 125.601 119.950 -0.752 0.000 2.411 286 F HA 0.479 5.007 4.527 0.001 0.000 0.355 286 F C -0.404 174.870 175.800 -0.876 0.000 1.117 286 F CA -0.287 57.325 58.000 -0.647 0.000 1.139 286 F CB 0.812 39.507 39.000 -0.508 0.000 1.120 286 F HN 0.590 nan 8.300 nan 0.000 0.493 287 E N 3.917 123.391 120.200 -1.209 0.000 2.141 287 E HA 0.324 4.674 4.350 0.001 0.000 0.259 287 E C 0.186 175.985 176.600 -1.336 0.000 0.883 287 E CA -0.595 55.235 56.400 -0.950 0.000 0.744 287 E CB 1.016 30.571 29.700 -0.242 0.000 1.150 287 E HN 0.948 nan 8.360 nan 0.000 0.420 288 G N 5.119 113.036 108.800 -1.471 0.000 3.392 288 G HA2 -0.024 3.936 3.960 0.001 0.000 0.247 288 G HA3 -0.024 3.936 3.960 0.001 0.000 0.247 288 G C 0.224 175.011 174.900 -0.189 0.000 1.161 288 G CA -0.135 44.300 45.100 -1.109 0.000 1.739 288 G HN 0.229 nan 8.290 nan 0.000 0.619 289 K N 0.501 120.842 120.400 -0.098 0.000 2.218 289 K HA 0.087 4.407 4.320 0.001 0.000 0.276 289 K C 1.091 177.819 176.600 0.213 0.000 1.022 289 K CA -0.358 55.982 56.287 0.088 0.000 0.946 289 K CB 1.917 34.485 32.500 0.113 0.000 1.000 289 K HN 0.483 nan 8.250 nan 0.000 0.468 290 E N 2.278 122.577 120.200 0.165 0.000 2.118 290 E HA -0.220 4.130 4.350 0.001 0.000 0.195 290 E C 1.537 178.150 176.600 0.022 0.000 0.992 290 E CA 0.931 57.384 56.400 0.088 0.000 0.804 290 E CB 0.124 29.874 29.700 0.083 0.000 0.741 290 E HN 0.438 nan 8.360 nan 0.000 0.458 291 L N 1.278 122.553 121.223 0.087 0.000 2.083 291 L HA -0.141 4.200 4.340 0.001 0.000 0.209 291 L C 2.442 179.365 176.870 0.088 0.000 1.083 291 L CA 1.852 56.754 54.840 0.104 0.000 0.752 291 L CB -0.580 41.617 42.059 0.231 0.000 0.899 291 L HN 0.039 nan 8.230 nan 0.000 0.433 292 R N -0.433 120.043 120.500 -0.041 0.000 2.081 292 R HA -0.171 4.170 4.340 0.001 0.000 0.235 292 R C 2.139 178.417 176.300 -0.036 0.000 1.131 292 R CA 1.998 57.967 56.100 -0.218 0.000 0.960 292 R CB -1.106 28.839 30.300 -0.591 0.000 0.856 292 R HN 0.414 nan 8.270 nan 0.000 0.436 293 L N 0.925 122.042 121.223 -0.176 0.000 2.131 293 L HA -0.084 4.256 4.340 0.001 0.000 0.210 293 L C 1.699 178.471 176.870 -0.165 0.000 1.092 293 L CA 1.869 56.387 54.840 -0.537 0.000 0.759 293 L CB -0.368 41.080 42.059 -1.018 0.000 0.903 293 L HN 0.174 nan 8.230 nan 0.000 0.435 294 K N -0.930 119.424 120.400 -0.077 0.000 2.057 294 K HA -0.191 4.130 4.320 0.001 0.000 0.207 294 K C 2.066 178.805 176.600 0.230 0.000 1.049 294 K CA 1.844 58.141 56.287 0.016 0.000 0.931 294 K CB -0.195 32.141 32.500 -0.274 0.000 0.714 294 K HN 0.528 nan 8.250 nan 0.000 0.440 295 Q N 0.700 120.604 119.800 0.173 0.000 2.084 295 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 295 Q C 1.996 178.186 176.000 0.318 0.000 0.978 295 Q CA 1.402 57.376 55.803 0.284 0.000 0.844 295 Q CB -0.062 28.865 28.738 0.315 0.000 0.898 295 Q HN 0.391 nan 8.270 nan 0.000 0.426 296 E N 0.068 120.396 120.200 0.213 0.000 2.058 296 E HA -0.228 4.123 4.350 0.001 0.000 0.194 296 E C 1.842 178.532 176.600 0.151 0.000 0.997 296 E CA 1.214 57.718 56.400 0.174 0.000 0.801 296 E CB -0.255 29.507 29.700 0.104 0.000 0.746 296 E HN 0.341 nan 8.360 nan 0.000 0.450 297 Y N 0.830 121.154 120.300 0.040 0.000 2.200 297 Y HA -0.220 4.331 4.550 0.001 0.000 0.290 297 Y C 2.028 177.948 175.900 0.033 0.000 1.137 297 Y CA 1.011 59.090 58.100 -0.035 0.000 1.163 297 Y CB -0.489 37.932 38.460 -0.066 0.000 0.988 297 Y HN 0.006 nan 8.280 nan 0.000 0.518 298 F N -0.148 119.784 119.950 -0.030 0.000 2.025 298 F HA -0.286 4.242 4.527 0.001 0.000 0.297 298 F C 2.529 178.172 175.800 -0.260 0.000 1.132 298 F CA 2.278 60.219 58.000 -0.098 0.000 1.191 298 F CB -1.216 37.885 39.000 0.169 0.000 0.963 298 F HN -0.075 nan 8.300 nan 0.000 0.481 299 V N -0.308 119.538 119.914 -0.114 0.000 2.407 299 V HA -0.221 3.900 4.120 0.001 0.000 0.248 299 V C 2.237 178.144 176.094 -0.312 0.000 1.055 299 V CA 1.953 64.131 62.300 -0.203 0.000 1.049 299 V CB -0.444 31.487 31.823 0.180 0.000 0.662 299 V HN 0.312 nan 8.190 nan 0.000 0.455 300 V N 0.256 120.017 119.914 -0.254 0.000 2.307 300 V HA -0.185 3.936 4.120 0.001 0.000 0.245 300 V C 2.769 178.602 176.094 -0.435 0.000 1.045 300 V CA 2.155 64.301 62.300 -0.257 0.000 1.024 300 V CB -0.951 30.783 31.823 -0.148 0.000 0.651 300 V HN 0.656 nan 8.190 nan 0.000 0.449 301 A N -0.267 122.123 122.820 -0.716 0.000 1.873 301 A HA -0.088 4.233 4.320 0.001 0.000 0.215 301 A C 2.405 179.591 177.584 -0.664 0.000 1.186 301 A CA 2.043 53.646 52.037 -0.723 0.000 0.616 301 A CB -0.821 17.519 19.000 -1.100 0.000 0.823 301 A HN 0.563 nan 8.150 nan 0.000 0.442 302 A N -0.976 121.278 122.820 -0.944 0.000 1.877 302 A HA -0.080 4.240 4.320 0.001 0.000 0.216 302 A C 2.327 179.333 177.584 -0.963 0.000 1.186 302 A CA 2.351 53.623 52.037 -1.274 0.000 0.620 302 A CB -1.349 16.244 19.000 -2.345 0.000 0.822 302 A HN 0.428 nan 8.150 nan 0.000 0.443 303 T N 0.614 114.731 114.554 -0.729 0.000 2.622 303 T HA -0.134 4.216 4.350 0.001 0.000 0.266 303 T C 1.859 176.248 174.700 -0.518 0.000 1.047 303 T CA 1.568 63.369 62.100 -0.499 0.000 1.159 303 T CB -0.484 68.122 68.868 -0.436 0.000 0.863 303 T HN 0.347 nan 8.240 nan 0.000 0.422 304 L N 0.739 121.721 121.223 -0.400 0.000 2.012 304 L HA -0.215 4.126 4.340 0.001 0.000 0.210 304 L C 2.994 179.718 176.870 -0.244 0.000 1.073 304 L CA 1.577 56.236 54.840 -0.301 0.000 0.748 304 L CB -0.622 41.307 42.059 -0.217 0.000 0.891 304 L HN 0.380 nan 8.230 nan 0.000 0.431 305 Q N -0.473 119.182 119.800 -0.241 0.000 2.061 305 Q HA -0.277 4.064 4.340 0.001 0.000 0.204 305 Q C 1.895 177.851 176.000 -0.073 0.000 0.984 305 Q CA 2.004 57.722 55.803 -0.141 0.000 0.846 305 Q CB -0.203 28.439 28.738 -0.160 0.000 0.902 305 Q HN 0.416 nan 8.270 nan 0.000 0.421 306 D N 0.457 120.803 120.400 -0.090 0.000 2.149 306 D HA -0.135 4.506 4.640 0.001 0.000 0.198 306 D C 1.652 177.915 176.300 -0.061 0.000 0.990 306 D CA 0.977 54.998 54.000 0.035 0.000 0.839 306 D CB -0.065 40.906 40.800 0.285 0.000 0.948 306 D HN 0.189 nan 8.370 nan 0.000 0.460 307 I N 0.173 120.602 120.570 -0.235 0.000 2.252 307 I HA -0.218 3.952 4.170 0.001 0.000 0.245 307 I C 2.099 178.251 176.117 0.059 0.000 1.102 307 I CA 0.349 61.467 61.300 -0.302 0.000 1.385 307 I CB -0.109 37.518 38.000 -0.621 0.000 1.064 307 I HN 0.098 nan 8.210 nan 0.000 0.414 308 I N 0.807 121.447 120.570 0.118 0.000 2.127 308 I HA -0.311 3.860 4.170 0.001 0.000 0.241 308 I C 2.692 179.000 176.117 0.319 0.000 1.075 308 I CA 1.567 63.052 61.300 0.309 0.000 1.334 308 I CB -1.341 36.767 38.000 0.180 0.000 1.040 308 I HN 0.338 nan 8.210 nan 0.000 0.405 309 R N 1.236 121.850 120.500 0.190 0.000 2.096 309 R HA -0.250 4.091 4.340 0.001 0.000 0.240 309 R C 2.485 178.891 176.300 0.176 0.000 1.139 309 R CA 2.239 58.446 56.100 0.178 0.000 0.952 309 R CB -0.363 30.034 30.300 0.162 0.000 0.854 309 R HN 0.225 nan 8.270 nan 0.000 0.436 310 R N -0.554 120.036 120.500 0.150 0.000 2.096 310 R HA -0.177 4.164 4.340 0.001 0.000 0.235 310 R C 2.197 178.608 176.300 0.185 0.000 1.127 310 R CA 1.780 57.964 56.100 0.139 0.000 0.968 310 R CB -0.503 29.845 30.300 0.080 0.000 0.861 310 R HN 0.340 nan 8.270 nan 0.000 0.440 311 F N 1.583 121.604 119.950 0.118 0.000 2.102 311 F HA -0.147 4.380 4.527 0.001 0.000 0.298 311 F C 1.653 177.495 175.800 0.070 0.000 1.105 311 F CA 1.712 59.786 58.000 0.123 0.000 1.239 311 F CB -0.091 39.082 39.000 0.287 0.000 0.991 311 F HN -0.087 nan 8.300 nan 0.000 0.474 312 K N 0.106 120.509 120.400 0.004 0.000 2.147 312 K HA -0.070 4.251 4.320 0.001 0.000 0.205 312 K C 2.085 178.618 176.600 -0.112 0.000 1.049 312 K CA 1.051 57.253 56.287 -0.141 0.000 0.936 312 K CB -0.480 32.045 32.500 0.041 0.000 0.722 312 K HN 0.355 nan 8.250 nan 0.000 0.446 313 A N 1.271 124.092 122.820 0.001 0.000 2.206 313 A HA 0.025 4.345 4.320 0.001 0.000 0.211 313 A C 0.985 178.629 177.584 0.100 0.000 1.158 313 A CA 0.313 52.391 52.037 0.069 0.000 0.761 313 A CB -0.102 18.977 19.000 0.132 0.000 0.801 313 A HN 0.099 nan 8.150 nan 0.000 0.473 325 V N 0.361 120.301 119.914 0.042 0.000 2.358 325 V HA 0.086 4.206 4.120 0.001 0.000 0.246 325 V C 1.825 177.938 176.094 0.032 0.000 1.047 325 V CA 1.605 63.881 62.300 -0.041 0.000 1.035 325 V CB -1.275 30.423 31.823 -0.208 0.000 0.658 325 V HN 0.440 nan 8.190 nan 0.000 0.452 326 F N 1.121 121.137 119.950 0.110 0.000 2.816 326 F HA 0.129 4.656 4.527 0.001 0.000 0.302 326 F C 1.961 177.723 175.800 -0.063 0.000 1.178 326 F CA 0.490 58.471 58.000 -0.033 0.000 1.421 326 F CB -0.720 38.022 39.000 -0.430 0.000 1.114 326 F HN 0.151 nan 8.300 nan 0.000 0.573 327 D N 0.563 121.039 120.400 0.127 0.000 2.178 327 D HA -0.128 4.513 4.640 0.001 0.000 0.201 327 D C 2.177 178.535 176.300 0.097 0.000 0.980 327 D CA 1.255 55.299 54.000 0.073 0.000 0.842 327 D CB 0.007 40.839 40.800 0.053 0.000 0.948 327 D HN 0.327 nan 8.370 nan 0.000 0.472 328 A N -0.388 122.537 122.820 0.174 0.000 2.275 328 A HA 0.063 4.383 4.320 0.001 0.000 0.212 328 A C 1.607 179.284 177.584 0.155 0.000 1.201 328 A CA -0.338 51.807 52.037 0.181 0.000 0.843 328 A CB -0.486 18.651 19.000 0.228 0.000 0.873 328 A HN 0.080 nan 8.150 nan 0.000 0.492 329 F N 2.080 121.919 119.950 -0.184 0.000 2.043 329 F HA -0.127 4.400 4.527 0.001 0.000 0.297 329 F C -0.803 174.873 175.800 -0.206 0.000 1.121 329 F CA 2.405 60.090 58.000 -0.524 0.000 1.199 329 F CB -0.964 37.767 39.000 -0.447 0.000 0.968 329 F HN 0.181 nan 8.300 nan 0.000 0.478 330 P HA -0.130 nan 4.420 nan 0.000 0.221 330 P C 0.772 178.002 177.300 -0.116 0.000 1.145 330 P CA 1.803 64.849 63.100 -0.090 0.000 0.795 330 P CB -0.077 31.613 31.700 -0.017 0.000 0.775 331 D N -1.577 118.780 120.400 -0.071 0.000 2.349 331 D HA -0.009 4.631 4.640 0.001 0.000 0.215 331 D C 1.636 177.908 176.300 -0.046 0.000 1.016 331 D CA 0.691 54.666 54.000 -0.042 0.000 0.870 331 D CB 0.189 40.987 40.800 -0.004 0.000 0.917 331 D HN 0.227 nan 8.370 nan 0.000 0.524 332 Q N -0.065 119.682 119.800 -0.089 0.000 2.280 332 Q HA 0.165 4.506 4.340 0.001 0.000 0.244 332 Q C -0.153 175.744 176.000 -0.173 0.000 0.847 332 Q CA 0.263 56.030 55.803 -0.060 0.000 0.945 332 Q CB 2.508 31.323 28.738 0.128 0.000 1.115 332 Q HN 0.036 nan 8.270 nan 0.000 0.513 333 V N 0.582 120.286 119.914 -0.350 0.000 2.686 333 V HA 0.784 4.905 4.120 0.001 0.000 0.306 333 V C -1.040 174.896 176.094 -0.263 0.000 1.065 333 V CA -0.957 61.116 62.300 -0.378 0.000 0.894 333 V CB 1.860 33.139 31.823 -0.908 0.000 1.004 333 V HN 0.090 nan 8.190 nan 0.000 0.424 334 A N 5.571 128.307 122.820 -0.139 0.000 2.359 334 A HA 0.923 5.244 4.320 0.001 0.000 0.303 334 A C -1.081 176.473 177.584 -0.050 0.000 1.066 334 A CA -0.426 51.569 52.037 -0.070 0.000 0.730 334 A CB 1.096 20.071 19.000 -0.041 0.000 1.211 334 A HN 0.758 nan 8.150 nan 0.000 0.439 335 I N 1.974 122.532 120.570 -0.020 0.000 2.410 335 I HA 0.279 4.450 4.170 0.001 0.000 0.286 335 I C -0.397 175.853 176.117 0.223 0.000 1.009 335 I CA -0.666 60.677 61.300 0.072 0.000 1.111 335 I CB 1.991 39.960 38.000 -0.051 0.000 1.262 335 I HN 0.681 nan 8.210 nan 0.000 0.443 336 Q N 6.648 126.570 119.800 0.202 0.000 2.296 336 Q HA 0.432 4.773 4.340 0.001 0.000 0.257 336 Q C -1.107 174.944 176.000 0.086 0.000 0.942 336 Q CA -0.116 55.841 55.803 0.257 0.000 0.939 336 Q CB 1.104 30.075 28.738 0.387 0.000 1.198 336 Q HN 0.572 nan 8.270 nan 0.000 0.429 337 L N 4.112 125.437 121.223 0.171 0.000 2.295 337 L HA 0.294 4.635 4.340 0.001 0.000 0.288 337 L C 0.179 177.112 176.870 0.104 0.000 1.079 337 L CA -0.587 54.323 54.840 0.116 0.000 0.830 337 L CB 0.304 42.437 42.059 0.123 0.000 1.200 337 L HN 0.576 nan 8.230 nan 0.000 0.438 338 N N 4.539 123.215 118.700 -0.041 0.000 2.549 338 N HA 0.028 4.768 4.740 0.001 0.000 0.267 338 N C -0.160 175.397 175.510 0.079 0.000 1.182 338 N CA 0.548 53.620 53.050 0.037 0.000 1.019 338 N CB -0.178 38.222 38.487 -0.146 0.000 1.380 338 N HN 0.595 nan 8.380 nan 0.000 0.505 339 D N -0.287 120.281 120.400 0.280 0.000 6.122 339 D HA -0.220 4.421 4.640 0.001 0.000 0.318 339 D C 0.464 176.826 176.300 0.103 0.000 2.527 339 D CA 1.408 55.528 54.000 0.199 0.000 1.441 339 D CB -0.585 40.046 40.800 -0.282 0.000 1.140 339 D HN 0.471 nan 8.370 nan 0.000 1.272 340 T N -2.148 112.416 114.554 0.017 0.000 3.113 340 T HA 0.028 4.379 4.350 0.001 0.000 0.256 340 T C 1.714 176.462 174.700 0.080 0.000 1.131 340 T CA 1.779 63.848 62.100 -0.053 0.000 1.074 340 T CB -0.573 68.250 68.868 -0.075 0.000 0.944 340 T HN 0.534 nan 8.240 nan 0.000 0.516 341 H N 2.608 121.746 119.070 0.114 0.000 2.394 341 H HA -0.029 4.528 4.556 0.001 0.000 0.297 341 H C -0.790 174.603 175.328 0.109 0.000 1.113 341 H CA 1.151 57.287 56.048 0.147 0.000 1.277 341 H CB -0.789 29.069 29.762 0.161 0.000 1.370 341 H HN 0.470 nan 8.280 nan 0.000 0.506 342 P HA 0.242 nan 4.420 nan 0.000 0.262 342 P C 0.603 177.877 177.300 -0.043 0.000 1.651 342 P CA 0.422 63.567 63.100 0.075 0.000 1.119 342 P CB 0.581 32.334 31.700 0.087 0.000 1.552 343 A N 0.945 123.724 122.820 -0.068 0.000 1.948 343 A HA -0.175 4.145 4.320 0.001 0.000 0.220 343 A C 2.059 179.524 177.584 -0.199 0.000 1.177 343 A CA 1.336 53.261 52.037 -0.186 0.000 0.636 343 A CB -1.528 17.374 19.000 -0.164 0.000 0.815 343 A HN 0.232 nan 8.150 nan 0.000 0.449 344 L N -0.867 120.282 121.223 -0.123 0.000 2.349 344 L HA -0.223 4.118 4.340 0.001 0.000 0.220 344 L C 2.889 179.697 176.870 -0.103 0.000 1.130 344 L CA 0.613 55.384 54.840 -0.116 0.000 0.791 344 L CB -0.492 41.507 42.059 -0.100 0.000 0.918 344 L HN 0.476 nan 8.230 nan 0.000 0.444 345 A N 0.240 122.960 122.820 -0.166 0.000 2.019 345 A HA -0.177 4.144 4.320 0.001 0.000 0.219 345 A C 2.186 179.592 177.584 -0.298 0.000 1.164 345 A CA 1.361 53.303 52.037 -0.158 0.000 0.644 345 A CB -0.458 18.480 19.000 -0.104 0.000 0.805 345 A HN 0.385 nan 8.150 nan 0.000 0.449 346 I N 0.294 120.541 120.570 -0.538 0.000 2.133 346 I HA -0.128 4.042 4.170 0.001 0.000 0.238 346 I C -0.332 175.736 176.117 -0.082 0.000 1.074 346 I CA 1.406 62.432 61.300 -0.457 0.000 1.342 346 I CB -0.922 36.835 38.000 -0.405 0.000 1.053 346 I HN 0.235 nan 8.210 nan 0.000 0.404 347 P HA -0.172 nan 4.420 nan 0.000 0.223 347 P C 1.196 178.523 177.300 0.046 0.000 1.151 347 P CA 1.463 64.585 63.100 0.036 0.000 0.787 347 P CB 0.059 31.800 31.700 0.068 0.000 0.788 348 E N 0.500 120.780 120.200 0.133 0.000 2.072 348 E HA -0.141 4.210 4.350 0.001 0.000 0.190 348 E C 1.948 178.517 176.600 -0.052 0.000 0.982 348 E CA 0.656 57.170 56.400 0.189 0.000 0.803 348 E CB -1.276 28.563 29.700 0.232 0.000 0.755 348 E HN 0.010 nan 8.360 nan 0.000 0.453 349 L N -0.012 121.147 121.223 -0.106 0.000 2.046 349 L HA -0.101 4.239 4.340 0.001 0.000 0.208 349 L C 2.132 178.692 176.870 -0.516 0.000 1.077 349 L CA 1.764 56.374 54.840 -0.383 0.000 0.747 349 L CB -0.544 41.380 42.059 -0.226 0.000 0.896 349 L HN 0.225 nan 8.230 nan 0.000 0.432 350 M N -0.777 118.689 119.600 -0.224 0.000 2.086 350 M HA -0.213 4.267 4.480 0.001 0.000 0.261 350 M C 2.455 178.669 176.300 -0.143 0.000 1.067 350 M CA 1.592 56.800 55.300 -0.153 0.000 1.116 350 M CB -1.202 31.340 32.600 -0.096 0.000 1.348 350 M HN 0.337 nan 8.290 nan 0.000 0.407 351 R N 0.452 120.860 120.500 -0.153 0.000 2.091 351 R HA -0.146 4.195 4.340 0.001 0.000 0.238 351 R C 2.094 178.328 176.300 -0.110 0.000 1.136 351 R CA 1.534 57.545 56.100 -0.149 0.000 0.959 351 R CB -0.275 29.878 30.300 -0.246 0.000 0.856 351 R HN 0.325 nan 8.270 nan 0.000 0.437 352 I N -0.165 120.304 120.570 -0.168 0.000 2.179 352 I HA -0.289 3.882 4.170 0.001 0.000 0.242 352 I C 2.121 178.164 176.117 -0.123 0.000 1.088 352 I CA 1.457 62.655 61.300 -0.170 0.000 1.357 352 I CB -0.388 37.440 38.000 -0.286 0.000 1.051 352 I HN 0.201 nan 8.210 nan 0.000 0.409 353 F N 0.220 119.976 119.950 -0.323 0.000 2.095 353 F HA -0.246 4.282 4.527 0.002 0.000 0.298 353 F C 2.479 178.130 175.800 -0.249 0.000 1.104 353 F CA 0.931 58.682 58.000 -0.415 0.000 1.232 353 F CB -0.226 38.520 39.000 -0.423 0.000 0.987 353 F HN -0.114 nan 8.300 nan 0.000 0.475 354 V N -0.247 119.692 119.914 0.042 0.000 2.283 354 V HA -0.222 3.898 4.120 0.001 0.000 0.239 354 V C 1.645 177.761 176.094 0.037 0.000 1.035 354 V CA 1.815 64.138 62.300 0.039 0.000 1.018 354 V CB -0.509 31.358 31.823 0.073 0.000 0.658 354 V HN 0.178 nan 8.190 nan 0.000 0.459 355 D N -0.214 120.199 120.400 0.023 0.000 2.219 355 D HA -0.027 4.613 4.640 0.001 0.000 0.205 355 D C 1.915 178.229 176.300 0.023 0.000 0.970 355 D CA 1.292 55.308 54.000 0.026 0.000 0.851 355 D CB 0.180 40.988 40.800 0.014 0.000 0.943 355 D HN 0.425 nan 8.370 nan 0.000 0.488 356 I N 0.275 120.852 120.570 0.012 0.000 2.899 356 I HA -0.032 4.138 4.170 0.001 0.000 0.257 356 I C 1.563 177.699 176.117 0.032 0.000 1.115 356 I CA 0.222 61.534 61.300 0.021 0.000 1.451 356 I CB 0.226 38.235 38.000 0.016 0.000 1.251 356 I HN -0.249 nan 8.210 nan 0.000 0.456 357 E N 1.330 121.534 120.200 0.007 0.000 2.502 357 E HA -0.036 4.315 4.350 0.001 0.000 0.194 357 E C 0.043 176.653 176.600 0.016 0.000 1.062 357 E CA 0.115 56.526 56.400 0.017 0.000 0.867 357 E CB 0.061 29.671 29.700 -0.150 0.000 0.888 357 E HN 0.196 nan 8.360 nan 0.000 0.510 358 K N 0.092 120.502 120.400 0.017 0.000 3.020 358 K HA -0.197 4.123 4.320 0.001 0.000 0.266 358 K C 0.101 176.708 176.600 0.012 0.000 1.067 358 K CA 0.522 56.824 56.287 0.026 0.000 0.780 358 K CB -2.455 30.068 32.500 0.039 0.000 1.220 358 K HN 0.283 nan 8.250 nan 0.000 0.483 359 L N 1.793 122.997 121.223 -0.031 0.000 2.417 359 L HA 0.243 4.584 4.340 0.001 0.000 0.268 359 L C -1.245 175.624 176.870 -0.001 0.000 1.158 359 L CA -1.832 52.972 54.840 -0.060 0.000 0.819 359 L CB 0.140 42.073 42.059 -0.211 0.000 1.112 359 L HN -0.099 nan 8.230 nan 0.000 0.458 360 P HA -0.081 nan 4.420 nan 0.000 0.271 360 P C 0.132 177.513 177.300 0.135 0.000 1.218 360 P CA -0.264 62.890 63.100 0.091 0.000 0.780 360 P CB 0.782 32.529 31.700 0.079 0.000 0.901 361 W N 3.091 124.408 121.300 0.030 0.000 2.302 361 W HA -0.307 4.353 4.660 0.001 0.000 0.320 361 W C 2.680 179.269 176.519 0.116 0.000 1.241 361 W CA 3.474 60.852 57.345 0.056 0.000 1.264 361 W CB -1.000 28.464 29.460 0.008 0.000 1.154 361 W HN 0.501 nan 8.180 nan 0.000 0.483 362 S N -0.007 115.924 115.700 0.385 0.000 2.359 362 S HA -0.349 4.122 4.470 0.001 0.000 0.223 362 S C 1.838 176.545 174.600 0.180 0.000 1.039 362 S CA 1.789 60.176 58.200 0.312 0.000 1.042 362 S CB -0.915 62.422 63.200 0.227 0.000 0.915 362 S HN 0.222 nan 8.310 nan 0.000 0.439 363 K N 2.446 122.897 120.400 0.085 0.000 2.026 363 K HA 0.131 4.451 4.320 0.001 0.000 0.208 363 K C 2.281 178.835 176.600 -0.077 0.000 1.048 363 K CA 1.656 57.940 56.287 -0.005 0.000 0.929 363 K CB -1.288 31.185 32.500 -0.045 0.000 0.713 363 K HN 0.428 nan 8.250 nan 0.000 0.439 364 A N 0.570 123.326 122.820 -0.106 0.000 1.883 364 A HA -0.207 4.113 4.320 0.001 0.000 0.217 364 A C 2.300 179.903 177.584 0.032 0.000 1.186 364 A CA 1.640 53.617 52.037 -0.100 0.000 0.624 364 A CB -1.310 17.655 19.000 -0.058 0.000 0.822 364 A HN 0.713 nan 8.150 nan 0.000 0.444 365 W N 1.401 122.518 121.300 -0.305 0.000 2.338 365 W HA -0.271 4.390 4.660 0.001 0.000 0.304 365 W C 2.184 178.658 176.519 -0.076 0.000 1.212 365 W CA 1.988 59.154 57.345 -0.299 0.000 1.264 365 W CB -0.015 29.205 29.460 -0.399 0.000 1.142 365 W HN 0.727 nan 8.180 nan 0.000 0.512 366 E N 0.398 120.560 120.200 -0.062 0.000 2.072 366 E HA -0.245 4.106 4.350 0.001 0.000 0.191 366 E C 2.204 178.726 176.600 -0.131 0.000 0.985 366 E CA 1.661 57.980 56.400 -0.135 0.000 0.801 366 E CB -1.176 28.511 29.700 -0.023 0.000 0.750 366 E HN 0.277 nan 8.360 nan 0.000 0.452 367 L N 1.075 122.257 121.223 -0.069 0.000 2.046 367 L HA -0.157 4.184 4.340 0.001 0.000 0.208 367 L C 2.580 179.498 176.870 0.081 0.000 1.077 367 L CA 1.720 56.563 54.840 0.005 0.000 0.747 367 L CB -0.803 41.206 42.059 -0.083 0.000 0.896 367 L HN 0.305 nan 8.230 nan 0.000 0.432 368 T N -0.823 113.762 114.554 0.053 0.000 2.622 368 T HA -0.261 4.089 4.350 0.001 0.000 0.266 368 T C 1.881 176.568 174.700 -0.022 0.000 1.047 368 T CA 1.472 63.597 62.100 0.042 0.000 1.159 368 T CB -0.260 68.592 68.868 -0.026 0.000 0.863 368 T HN 0.365 nan 8.240 nan 0.000 0.422 369 Q N 0.620 120.239 119.800 -0.301 0.000 2.152 369 Q HA -0.117 4.224 4.340 0.001 0.000 0.206 369 Q C 2.355 178.373 176.000 0.031 0.000 0.985 369 Q CA 1.331 57.004 55.803 -0.218 0.000 0.863 369 Q CB -0.165 28.336 28.738 -0.394 0.000 0.904 369 Q HN 0.462 nan 8.270 nan 0.000 0.422 370 K N -0.488 119.894 120.400 -0.029 0.000 2.211 370 K HA -0.057 4.263 4.320 0.001 0.000 0.203 370 K C 1.972 178.582 176.600 0.018 0.000 1.050 370 K CA 1.303 57.558 56.287 -0.054 0.000 0.945 370 K CB 0.125 32.571 32.500 -0.090 0.000 0.732 370 K HN 0.169 nan 8.250 nan 0.000 0.451 371 T N 0.473 115.035 114.554 0.013 0.000 2.852 371 T HA 0.029 4.379 4.350 0.001 0.000 0.256 371 T C 0.509 175.131 174.700 -0.129 0.000 1.038 371 T CA 0.771 62.793 62.100 -0.130 0.000 1.141 371 T CB -0.049 68.635 68.868 -0.306 0.000 0.869 371 T HN -0.049 nan 8.240 nan 0.000 0.439 372 F N 1.256 121.281 119.950 0.126 0.000 2.375 372 F HA 0.607 5.134 4.527 0.001 0.000 0.333 372 F C 0.428 176.232 175.800 0.007 0.000 1.104 372 F CA -1.118 56.926 58.000 0.074 0.000 1.149 372 F CB 0.779 39.774 39.000 -0.008 0.000 1.190 372 F HN 0.019 nan 8.300 nan 0.000 0.533 373 A N 2.586 125.549 122.820 0.239 0.000 2.422 373 A HA 0.613 4.934 4.320 0.001 0.000 0.302 373 A C -2.209 175.484 177.584 0.181 0.000 1.041 373 A CA -0.584 51.473 52.037 0.033 0.000 0.708 373 A CB 1.017 20.060 19.000 0.071 0.000 1.257 373 A HN 0.658 nan 8.150 nan 0.000 0.414 374 Y N 1.401 121.654 120.300 -0.078 0.000 2.364 374 Y HA 0.680 5.231 4.550 0.001 0.000 0.340 374 Y C -0.468 175.391 175.900 -0.067 0.000 0.975 374 Y CA -0.704 57.350 58.100 -0.077 0.000 1.089 374 Y CB 1.891 40.248 38.460 -0.170 0.000 1.192 374 Y HN 0.533 nan 8.280 nan 0.000 0.454 375 T N 7.058 121.458 114.554 -0.257 0.000 2.758 375 T HA 0.214 4.565 4.350 0.001 0.000 0.285 375 T C -0.706 173.538 174.700 -0.761 0.000 0.981 375 T CA -0.778 61.054 62.100 -0.446 0.000 0.965 375 T CB 0.206 69.016 68.868 -0.096 0.000 0.927 375 T HN 0.641 nan 8.240 nan 0.000 0.448 376 N N 2.090 120.313 118.700 -0.794 0.000 2.426 376 N HA 0.142 4.883 4.740 0.001 0.000 0.275 376 N C -0.296 175.126 175.510 -0.147 0.000 1.019 376 N CA -0.219 52.603 53.050 -0.379 0.000 0.941 376 N CB 0.768 39.144 38.487 -0.186 0.000 1.123 376 N HN 0.635 nan 8.380 nan 0.000 0.486 377 H N 0.027 119.145 119.070 0.081 0.000 2.784 377 H HA 0.156 4.713 4.556 0.001 0.000 0.273 377 H C -0.023 175.277 175.328 -0.047 0.000 1.112 377 H CA -0.247 55.788 56.048 -0.022 0.000 1.162 377 H CB 0.614 30.363 29.762 -0.022 0.000 1.586 377 H HN 0.517 nan 8.280 nan 0.000 0.548 378 T N -2.155 112.518 114.554 0.198 0.000 2.925 378 T HA 0.455 4.806 4.350 0.001 0.000 0.285 378 T C 0.807 175.607 174.700 0.167 0.000 1.021 378 T CA -0.186 61.999 62.100 0.141 0.000 1.042 378 T CB 2.193 71.154 68.868 0.155 0.000 1.037 378 T HN 0.050 nan 8.240 nan 0.000 0.481 379 V N 1.608 121.551 119.914 0.047 0.000 3.161 379 V HA 0.354 4.474 4.120 0.001 0.000 0.228 379 V C -0.265 175.821 176.094 -0.013 0.000 1.415 379 V CA -0.277 62.040 62.300 0.029 0.000 1.285 379 V CB -0.064 31.758 31.823 -0.003 0.000 1.100 379 V HN 0.742 nan 8.190 nan 0.000 0.478 380 L N 3.593 124.787 121.223 -0.049 0.000 2.499 380 L HA 0.267 4.608 4.340 0.001 0.000 0.273 380 L C -0.992 175.904 176.870 0.043 0.000 1.195 380 L CA -0.619 54.226 54.840 0.009 0.000 0.882 380 L CB 0.034 42.101 42.059 0.014 0.000 1.133 380 L HN 0.281 nan 8.230 nan 0.000 0.483 381 P HA -0.168 nan 4.420 nan 0.000 0.220 381 P C 0.941 178.265 177.300 0.040 0.000 1.148 381 P CA 1.114 64.231 63.100 0.028 0.000 0.803 381 P CB 0.241 31.955 31.700 0.024 0.000 0.782 382 E N 0.458 120.717 120.200 0.099 0.000 2.347 382 E HA -0.049 4.302 4.350 0.001 0.000 0.196 382 E C 1.746 178.379 176.600 0.054 0.000 1.008 382 E CA 0.998 57.464 56.400 0.110 0.000 0.852 382 E CB -0.846 29.025 29.700 0.286 0.000 0.783 382 E HN 0.187 nan 8.360 nan 0.000 0.505 383 A N 1.302 124.178 122.820 0.094 0.000 2.132 383 A HA 0.145 4.465 4.320 0.001 0.000 0.213 383 A C 1.233 178.839 177.584 0.038 0.000 1.154 383 A CA -0.199 51.899 52.037 0.101 0.000 0.753 383 A CB -0.054 19.022 19.000 0.126 0.000 0.826 383 A HN 0.126 nan 8.150 nan 0.000 0.469 384 L N 1.359 122.564 121.223 -0.031 0.000 2.499 384 L HA 0.090 4.431 4.340 0.001 0.000 0.273 384 L C 0.440 177.036 176.870 -0.456 0.000 1.195 384 L CA 0.621 55.377 54.840 -0.140 0.000 0.882 384 L CB -0.002 41.990 42.059 -0.113 0.000 1.133 384 L HN 0.428 nan 8.230 nan 0.000 0.483 385 E N 4.481 124.324 120.200 -0.595 0.000 2.105 385 E HA 0.223 4.574 4.350 0.001 0.000 0.285 385 E C -0.587 175.378 176.600 -1.059 0.000 1.055 385 E CA -0.314 55.300 56.400 -1.310 0.000 0.843 385 E CB 0.497 29.806 29.700 -0.652 0.000 1.067 385 E HN 0.382 nan 8.360 nan 0.000 0.398 386 R N 4.668 124.339 120.500 -1.382 0.000 2.576 386 R HA 0.170 4.510 4.340 0.001 0.000 0.283 386 R C -1.415 174.647 176.300 -0.398 0.000 1.493 386 R CA -0.609 55.135 56.100 -0.593 0.000 1.170 386 R CB 0.730 30.834 30.300 -0.328 0.000 1.189 386 R HN 0.448 nan 8.270 nan 0.000 0.542 387 W N 4.946 126.178 121.300 -0.113 0.000 2.304 387 W HA 0.191 4.851 4.660 0.001 0.000 0.313 387 W C -1.718 174.815 176.519 0.022 0.000 1.323 387 W CA -1.872 55.498 57.345 0.041 0.000 1.223 387 W CB 0.517 29.984 29.460 0.012 0.000 1.237 387 W HN 0.230 nan 8.180 nan 0.000 0.535 388 P HA -0.069 nan 4.420 nan 0.000 0.267 388 P C 0.731 178.128 177.300 0.161 0.000 1.205 388 P CA 0.224 63.430 63.100 0.176 0.000 0.765 388 P CB 1.345 33.138 31.700 0.155 0.000 0.828 389 V N 2.830 122.812 119.914 0.113 0.000 2.380 389 V HA -0.262 3.859 4.120 0.001 0.000 0.251 389 V C 1.885 178.027 176.094 0.080 0.000 1.063 389 V CA 2.201 64.549 62.300 0.079 0.000 1.055 389 V CB -1.080 30.811 31.823 0.113 0.000 0.657 389 V HN 0.497 nan 8.190 nan 0.000 0.455 390 D N -0.416 120.042 120.400 0.097 0.000 2.144 390 D HA -0.146 4.494 4.640 0.001 0.000 0.199 390 D C 1.903 178.256 176.300 0.089 0.000 0.984 390 D CA 1.058 55.112 54.000 0.091 0.000 0.834 390 D CB -0.284 40.569 40.800 0.090 0.000 0.955 390 D HN 0.361 nan 8.370 nan 0.000 0.465 391 L N 0.373 121.659 121.223 0.105 0.000 2.027 391 L HA -0.116 4.224 4.340 0.001 0.000 0.206 391 L C 2.227 179.114 176.870 0.027 0.000 1.074 391 L CA 1.262 56.162 54.840 0.100 0.000 0.745 391 L CB -0.475 41.684 42.059 0.168 0.000 0.898 391 L HN -0.112 nan 8.230 nan 0.000 0.433 392 V N -0.227 119.686 119.914 -0.002 0.000 2.343 392 V HA -0.309 3.812 4.120 0.001 0.000 0.247 392 V C 2.575 178.618 176.094 -0.085 0.000 1.051 392 V CA 1.997 64.236 62.300 -0.103 0.000 1.036 392 V CB -0.686 31.067 31.823 -0.118 0.000 0.654 392 V HN 0.588 nan 8.190 nan 0.000 0.451 393 E N 0.297 120.482 120.200 -0.024 0.000 2.085 393 E HA -0.296 4.054 4.350 0.001 0.000 0.194 393 E C 2.345 178.969 176.600 0.039 0.000 0.994 393 E CA 1.719 58.120 56.400 0.001 0.000 0.801 393 E CB -0.093 29.639 29.700 0.052 0.000 0.743 393 E HN 0.582 nan 8.360 nan 0.000 0.453 394 K N 0.077 120.526 120.400 0.082 0.000 2.062 394 K HA -0.154 4.167 4.320 0.001 0.000 0.205 394 K C 2.253 178.980 176.600 0.212 0.000 1.051 394 K CA 0.940 57.331 56.287 0.174 0.000 0.941 394 K CB -0.048 32.575 32.500 0.205 0.000 0.719 394 K HN 0.128 nan 8.250 nan 0.000 0.440 395 L N 0.590 121.829 121.223 0.027 0.000 2.102 395 L HA 0.049 4.389 4.340 0.001 0.000 0.202 395 L C 0.348 177.176 176.870 -0.071 0.000 1.076 395 L CA 1.204 55.932 54.840 -0.187 0.000 0.761 395 L CB 0.205 42.114 42.059 -0.251 0.000 0.921 395 L HN 0.106 nan 8.230 nan 0.000 0.444 396 L N 1.454 122.581 121.223 -0.160 0.000 2.637 396 L HA 0.324 4.665 4.340 0.001 0.000 0.241 396 L C -1.662 175.008 176.870 -0.332 0.000 1.398 396 L CA -1.180 53.471 54.840 -0.315 0.000 0.895 396 L CB -0.124 41.618 42.059 -0.528 0.000 1.183 396 L HN 0.056 nan 8.230 nan 0.000 0.497 397 P HA -0.244 nan 4.420 nan 0.000 0.216 397 P C 1.523 178.607 177.300 -0.360 0.000 1.157 397 P CA 1.405 64.368 63.100 -0.229 0.000 0.880 397 P CB 0.490 32.129 31.700 -0.102 0.000 0.791 398 R N -0.441 119.636 120.500 -0.705 0.000 2.096 398 R HA -0.144 4.197 4.340 0.001 0.000 0.235 398 R C 2.582 178.545 176.300 -0.563 0.000 1.127 398 R CA 1.521 57.228 56.100 -0.656 0.000 0.968 398 R CB -1.310 28.416 30.300 -0.956 0.000 0.861 398 R HN 0.310 nan 8.270 nan 0.000 0.440 399 H N -0.375 118.366 119.070 -0.548 0.000 2.389 399 H HA -0.086 4.471 4.556 0.001 0.000 0.299 399 H C 1.844 176.992 175.328 -0.301 0.000 1.081 399 H CA 1.497 57.310 56.048 -0.391 0.000 1.345 399 H CB -0.059 29.430 29.762 -0.455 0.000 1.393 399 H HN 0.186 nan 8.280 nan 0.000 0.520 400 L N 1.746 122.844 121.223 -0.208 0.000 2.017 400 L HA -0.148 4.192 4.340 0.001 0.000 0.208 400 L C 2.152 178.870 176.870 -0.254 0.000 1.073 400 L CA 1.608 56.278 54.840 -0.284 0.000 0.745 400 L CB -0.480 41.442 42.059 -0.229 0.000 0.894 400 L HN 0.139 nan 8.230 nan 0.000 0.432 401 E N -0.309 119.833 120.200 -0.097 0.000 2.038 401 E HA -0.265 4.086 4.350 0.001 0.000 0.195 401 E C 2.255 178.861 176.600 0.011 0.000 1.000 401 E CA 1.933 58.354 56.400 0.034 0.000 0.803 401 E CB -0.325 29.392 29.700 0.028 0.000 0.750 401 E HN 0.568 nan 8.360 nan 0.000 0.448 402 I N 0.938 121.481 120.570 -0.044 0.000 2.335 402 I HA -0.277 3.893 4.170 0.001 0.000 0.251 402 I C 2.325 178.461 176.117 0.031 0.000 1.129 402 I CA 0.991 62.310 61.300 0.031 0.000 1.402 402 I CB -0.226 37.754 38.000 -0.032 0.000 1.069 402 I HN 0.137 nan 8.210 nan 0.000 0.424 403 I N -0.667 119.862 120.570 -0.069 0.000 2.286 403 I HA -0.278 3.893 4.170 0.001 0.000 0.245 403 I C 2.415 178.506 176.117 -0.044 0.000 1.104 403 I CA 1.263 62.508 61.300 -0.093 0.000 1.397 403 I CB -0.357 37.523 38.000 -0.200 0.000 1.072 403 I HN 0.113 nan 8.210 nan 0.000 0.417 404 Y N 1.077 121.364 120.300 -0.021 0.000 2.181 404 Y HA -0.279 4.271 4.550 0.001 0.000 0.288 404 Y C 2.587 178.443 175.900 -0.073 0.000 1.146 404 Y CA 1.560 59.639 58.100 -0.035 0.000 1.164 404 Y CB -0.734 37.699 38.460 -0.046 0.000 0.982 404 Y HN 0.183 nan 8.280 nan 0.000 0.515 405 E N 0.467 120.702 120.200 0.059 0.000 2.031 405 E HA -0.176 4.175 4.350 0.001 0.000 0.193 405 E C 2.102 178.605 176.600 -0.162 0.000 0.994 405 E CA 1.619 57.933 56.400 -0.144 0.000 0.800 405 E CB -0.578 28.994 29.700 -0.214 0.000 0.752 405 E HN 0.461 nan 8.360 nan 0.000 0.447 406 I N 0.675 121.247 120.570 0.002 0.000 2.118 406 I HA -0.325 3.846 4.170 0.001 0.000 0.241 406 I C 2.324 178.438 176.117 -0.004 0.000 1.070 406 I CA 1.545 62.813 61.300 -0.053 0.000 1.327 406 I CB -0.490 37.449 38.000 -0.102 0.000 1.034 406 I HN 0.228 nan 8.210 nan 0.000 0.405 407 N N 0.547 119.287 118.700 0.067 0.000 2.149 407 N HA -0.263 4.478 4.740 0.001 0.000 0.188 407 N C 1.783 177.374 175.510 0.134 0.000 1.019 407 N CA 1.468 54.617 53.050 0.165 0.000 0.857 407 N CB -0.123 38.477 38.487 0.189 0.000 0.997 407 N HN 0.236 nan 8.380 nan 0.000 0.426 408 Q N 0.974 120.794 119.800 0.033 0.000 2.002 408 Q HA -0.053 4.287 4.340 0.001 0.000 0.204 408 Q C 1.525 177.495 176.000 -0.049 0.000 0.988 408 Q CA 1.850 57.633 55.803 -0.033 0.000 0.843 408 Q CB -0.161 28.510 28.738 -0.111 0.000 0.908 408 Q HN 0.324 nan 8.270 nan 0.000 0.420 409 K N -1.026 119.313 120.400 -0.102 0.000 2.283 409 K HA -0.179 4.142 4.320 0.001 0.000 0.202 409 K C 2.015 178.651 176.600 0.059 0.000 1.048 409 K CA 1.151 57.394 56.287 -0.074 0.000 0.948 409 K CB -0.242 32.160 32.500 -0.163 0.000 0.742 409 K HN 0.410 nan 8.250 nan 0.000 0.458 410 H N 1.177 120.251 119.070 0.008 0.000 2.343 410 H HA 0.045 4.601 4.556 0.001 0.000 0.303 410 H C 1.751 177.113 175.328 0.057 0.000 1.068 410 H CA 1.252 57.347 56.048 0.078 0.000 1.359 410 H CB -0.110 29.721 29.762 0.115 0.000 1.402 410 H HN -0.004 nan 8.280 nan 0.000 0.515 411 L N 0.112 121.266 121.223 -0.115 0.000 2.156 411 L HA -0.096 4.245 4.340 0.001 0.000 0.208 411 L C 1.793 178.601 176.870 -0.103 0.000 1.095 411 L CA 1.020 55.753 54.840 -0.178 0.000 0.770 411 L CB -0.271 41.753 42.059 -0.058 0.000 0.914 411 L HN 0.308 nan 8.230 nan 0.000 0.439 412 D N 0.054 120.420 120.400 -0.057 0.000 2.178 412 D HA -0.188 4.452 4.640 0.001 0.000 0.201 412 D C 2.229 178.514 176.300 -0.024 0.000 0.980 412 D CA 0.921 54.898 54.000 -0.039 0.000 0.842 412 D CB -0.031 40.746 40.800 -0.038 0.000 0.948 412 D HN 0.098 nan 8.370 nan 0.000 0.472 413 R N 0.607 121.096 120.500 -0.019 0.000 2.073 413 R HA -0.041 4.300 4.340 0.001 0.000 0.229 413 R C 1.996 178.305 176.300 0.015 0.000 1.120 413 R CA 0.734 56.842 56.100 0.014 0.000 0.967 413 R CB -0.701 29.638 30.300 0.063 0.000 0.862 413 R HN 0.048 nan 8.270 nan 0.000 0.436 414 I N 0.454 121.005 120.570 -0.032 0.000 2.163 414 I HA -0.217 3.953 4.170 0.001 0.000 0.240 414 I C 2.273 178.472 176.117 0.137 0.000 1.081 414 I CA 1.432 62.772 61.300 0.066 0.000 1.353 414 I CB -0.674 37.256 38.000 -0.117 0.000 1.054 414 I HN 0.140 nan 8.210 nan 0.000 0.407 415 V N -0.605 119.329 119.914 0.035 0.000 2.380 415 V HA -0.278 3.843 4.120 0.001 0.000 0.251 415 V C 2.498 178.604 176.094 0.021 0.000 1.063 415 V CA 1.785 64.106 62.300 0.035 0.000 1.055 415 V CB -1.946 29.876 31.823 -0.002 0.000 0.657 415 V HN 0.342 nan 8.190 nan 0.000 0.455 416 A N 0.576 123.395 122.820 -0.002 0.000 1.933 416 A HA 0.023 4.344 4.320 0.001 0.000 0.218 416 A C 2.245 179.775 177.584 -0.090 0.000 1.175 416 A CA 2.130 54.147 52.037 -0.034 0.000 0.628 416 A CB -0.567 18.418 19.000 -0.026 0.000 0.814 416 A HN 0.610 nan 8.150 nan 0.000 0.444 417 L N -2.639 118.511 121.223 -0.123 0.000 2.209 417 L HA 0.113 4.453 4.340 0.001 0.000 0.207 417 L C -0.031 176.386 176.870 -0.754 0.000 1.094 417 L CA 0.430 55.009 54.840 -0.434 0.000 0.790 417 L CB 0.003 41.773 42.059 -0.481 0.000 0.932 417 L HN 0.351 nan 8.230 nan 0.000 0.447 418 F N -1.151 118.773 119.950 -0.043 0.000 2.622 418 F HA 0.346 4.874 4.527 0.001 0.000 0.338 418 F C -1.820 173.956 175.800 -0.040 0.000 1.334 418 F CA -1.994 55.982 58.000 -0.041 0.000 1.179 418 F CB 0.187 39.157 39.000 -0.051 0.000 1.471 418 F HN -0.238 nan 8.300 nan 0.000 0.576 419 P HA -0.200 nan 4.420 nan 0.000 0.217 419 P C 1.157 178.481 177.300 0.040 0.000 1.148 419 P CA 1.632 64.750 63.100 0.029 0.000 0.834 419 P CB 0.350 32.047 31.700 -0.004 0.000 0.783 420 K N -1.821 118.613 120.400 0.056 0.000 2.276 420 K HA 0.045 4.366 4.320 0.001 0.000 0.198 420 K C 0.637 177.264 176.600 0.045 0.000 1.052 420 K CA 0.274 56.586 56.287 0.042 0.000 0.984 420 K CB -0.656 31.865 32.500 0.035 0.000 0.836 420 K HN -0.017 nan 8.250 nan 0.000 0.490 421 D N 1.405 121.851 120.400 0.076 0.000 2.385 421 D HA -0.048 4.592 4.640 0.001 0.000 0.260 421 D C 1.080 177.378 176.300 -0.002 0.000 1.326 421 D CA -0.018 54.000 54.000 0.030 0.000 1.023 421 D CB 0.642 41.448 40.800 0.011 0.000 1.083 421 D HN -0.013 nan 8.370 nan 0.000 0.517 422 V N 1.477 121.388 119.914 -0.006 0.000 2.407 422 V HA -0.094 4.027 4.120 0.001 0.000 0.245 422 V C 1.892 177.972 176.094 -0.024 0.000 1.041 422 V CA 1.330 63.623 62.300 -0.012 0.000 1.040 422 V CB -0.512 31.308 31.823 -0.004 0.000 0.671 422 V HN 0.299 nan 8.190 nan 0.000 0.455 423 D N 0.829 121.213 120.400 -0.027 0.000 2.182 423 D HA -0.239 4.401 4.640 0.001 0.000 0.201 423 D C 2.161 178.431 176.300 -0.051 0.000 0.986 423 D CA 1.679 55.663 54.000 -0.028 0.000 0.847 423 D CB -0.231 40.553 40.800 -0.026 0.000 0.942 423 D HN 0.495 nan 8.370 nan 0.000 0.467 424 R N 0.156 120.600 120.500 -0.094 0.000 2.083 424 R HA -0.104 4.237 4.340 0.001 0.000 0.237 424 R C 2.330 178.546 176.300 -0.140 0.000 1.137 424 R CA 1.385 57.383 56.100 -0.170 0.000 0.951 424 R CB -0.804 29.332 30.300 -0.274 0.000 0.851 424 R HN 0.264 nan 8.270 nan 0.000 0.434 425 L N 0.351 121.518 121.223 -0.095 0.000 1.970 425 L HA -0.221 4.120 4.340 0.001 0.000 0.212 425 L C 2.611 179.477 176.870 -0.006 0.000 1.071 425 L CA 2.185 56.986 54.840 -0.066 0.000 0.751 425 L CB -0.603 41.433 42.059 -0.038 0.000 0.889 425 L HN 0.319 nan 8.230 nan 0.000 0.432 426 R N -0.099 120.410 120.500 0.016 0.000 2.280 426 R HA -0.113 4.227 4.340 0.001 0.000 0.207 426 R C 2.041 178.400 176.300 0.099 0.000 1.043 426 R CA 1.015 57.151 56.100 0.061 0.000 1.006 426 R CB -0.482 29.845 30.300 0.046 0.000 0.885 426 R HN 0.205 nan 8.270 nan 0.000 0.467 427 R N -0.182 120.357 120.500 0.064 0.000 2.161 427 R HA 0.255 4.595 4.340 0.001 0.000 0.213 427 R C 1.413 177.822 176.300 0.181 0.000 1.055 427 R CA 1.071 57.235 56.100 0.107 0.000 0.996 427 R CB 0.140 30.452 30.300 0.020 0.000 0.901 427 R HN 0.285 nan 8.270 nan 0.000 0.456 428 M N -0.460 119.171 119.600 0.053 0.000 2.371 428 M HA 0.124 4.605 4.480 0.001 0.000 0.246 428 M C 0.465 176.970 176.300 0.341 0.000 1.103 428 M CA -0.128 55.167 55.300 -0.009 0.000 1.010 428 M CB 1.108 33.480 32.600 -0.380 0.000 1.457 428 M HN -0.091 nan 8.290 nan 0.000 0.486 429 S N 0.880 116.777 115.700 0.328 0.000 2.572 429 S HA 0.212 4.683 4.470 0.001 0.000 0.279 429 S C 1.050 175.926 174.600 0.459 0.000 1.341 429 S CA -0.396 58.019 58.200 0.358 0.000 1.043 429 S CB 0.708 64.042 63.200 0.224 0.000 0.887 429 S HN 0.404 nan 8.310 nan 0.000 0.516 430 L N 2.857 124.285 121.223 0.342 0.000 2.478 430 L HA 0.177 4.518 4.340 0.001 0.000 0.223 430 L C -0.328 176.633 176.870 0.151 0.000 1.140 430 L CA 0.426 55.413 54.840 0.244 0.000 0.842 430 L CB -0.316 41.825 42.059 0.136 0.000 0.953 430 L HN 0.512 nan 8.230 nan 0.000 0.452 431 I N -0.011 120.664 120.570 0.176 0.000 2.406 431 I HA 0.135 4.305 4.170 0.001 0.000 0.290 431 I C 0.032 176.225 176.117 0.127 0.000 0.999 431 I CA -0.428 60.957 61.300 0.141 0.000 1.124 431 I CB 1.775 39.897 38.000 0.203 0.000 1.289 431 I HN 0.058 nan 8.210 nan 0.000 0.441 432 E N 5.825 126.077 120.200 0.087 0.000 2.145 432 E HA 0.433 4.784 4.350 0.001 0.000 0.270 432 E C -0.952 175.688 176.600 0.066 0.000 0.906 432 E CA -0.652 55.791 56.400 0.072 0.000 0.761 432 E CB 1.244 30.970 29.700 0.043 0.000 1.116 432 E HN 0.587 nan 8.360 nan 0.000 0.408 433 E N 2.908 123.146 120.200 0.064 0.000 2.947 433 E HA 0.141 4.492 4.350 0.001 0.000 0.229 433 E C -0.823 175.803 176.600 0.043 0.000 1.158 433 E CA -0.506 55.928 56.400 0.057 0.000 1.441 433 E CB 0.033 29.769 29.700 0.059 0.000 1.414 433 E HN 0.383 nan 8.360 nan 0.000 0.432 434 E N 1.193 121.416 120.200 0.039 0.000 2.201 434 E HA 0.327 4.678 4.350 0.001 0.000 0.272 434 E C 0.266 176.884 176.600 0.031 0.000 1.228 434 E CA -0.117 56.302 56.400 0.032 0.000 1.305 434 E CB 0.525 30.242 29.700 0.029 0.000 1.381 434 E HN 0.548 nan 8.360 nan 0.000 0.475 435 G N 1.788 110.607 108.800 0.032 0.000 3.038 435 G HA2 -0.130 3.831 3.960 0.001 0.000 0.241 435 G HA3 -0.130 3.831 3.960 0.001 0.000 0.241 435 G C -0.046 174.876 174.900 0.037 0.000 0.968 435 G CA -0.237 44.883 45.100 0.032 0.000 0.949 435 G HN 0.567 nan 8.290 nan 0.000 0.394 436 S N -0.204 115.522 115.700 0.043 0.000 3.880 436 S HA -0.134 4.336 4.470 0.001 0.000 0.658 436 S C 0.566 175.200 174.600 0.058 0.000 0.597 436 S CA 0.899 59.130 58.200 0.052 0.000 1.420 436 S CB -0.612 62.616 63.200 0.048 0.000 0.821 436 S HN 1.106 nan 8.310 nan 0.000 0.914 437 K N 2.545 122.986 120.400 0.068 0.000 2.436 437 K HA 0.312 4.633 4.320 0.001 0.000 0.275 437 K C 0.778 177.427 176.600 0.081 0.000 0.999 437 K CA 0.007 56.341 56.287 0.079 0.000 0.980 437 K CB 0.417 32.980 32.500 0.104 0.000 0.919 437 K HN 0.704 nan 8.250 nan 0.000 0.484 438 R N 1.475 122.015 120.500 0.068 0.000 2.836 438 R HA 0.512 4.853 4.340 0.001 0.000 0.269 438 R C -0.804 175.519 176.300 0.040 0.000 1.010 438 R CA -0.968 55.169 56.100 0.060 0.000 0.930 438 R CB 0.824 31.145 30.300 0.035 0.000 1.218 438 R HN 0.380 nan 8.270 nan 0.000 0.473 439 I N 1.717 122.309 120.570 0.038 0.000 2.315 439 I HA 0.143 4.314 4.170 0.001 0.000 0.291 439 I C -0.049 176.038 176.117 -0.050 0.000 1.006 439 I CA -0.803 60.502 61.300 0.008 0.000 1.265 439 I CB 1.293 39.301 38.000 0.013 0.000 1.387 439 I HN 0.538 nan 8.210 nan 0.000 0.475 440 N N 7.750 126.399 118.700 -0.084 0.000 2.448 440 N HA 0.080 4.821 4.740 0.001 0.000 0.250 440 N C 0.800 176.213 175.510 -0.162 0.000 1.136 440 N CA -0.283 52.650 53.050 -0.195 0.000 0.953 440 N CB 0.826 39.084 38.487 -0.381 0.000 1.251 440 N HN 0.541 nan 8.380 nan 0.000 0.502 441 M N 2.126 121.632 119.600 -0.156 0.000 2.213 441 M HA -0.107 4.374 4.480 0.001 0.000 0.263 441 M C 1.938 178.090 176.300 -0.247 0.000 1.062 441 M CA 0.832 56.045 55.300 -0.146 0.000 1.105 441 M CB -1.596 30.954 32.600 -0.084 0.000 1.385 441 M HN 0.587 nan 8.290 nan 0.000 0.417 442 A N -0.479 122.203 122.820 -0.230 0.000 1.902 442 A HA -0.184 4.137 4.320 0.001 0.000 0.217 442 A C 2.009 179.384 177.584 -0.349 0.000 1.181 442 A CA 1.594 53.458 52.037 -0.289 0.000 0.623 442 A CB -1.167 17.860 19.000 0.045 0.000 0.818 442 A HN 0.601 nan 8.150 nan 0.000 0.443 443 H N -1.513 117.370 119.070 -0.312 0.000 2.353 443 H HA -0.122 4.435 4.556 0.001 0.000 0.300 443 H C 2.094 177.234 175.328 -0.314 0.000 1.090 443 H CA 1.153 56.983 56.048 -0.363 0.000 1.327 443 H CB -0.039 29.693 29.762 -0.051 0.000 1.383 443 H HN 0.433 nan 8.280 nan 0.000 0.508 444 L N 0.652 121.809 121.223 -0.110 0.000 2.046 444 L HA -0.170 4.170 4.340 0.001 0.000 0.208 444 L C 2.209 178.942 176.870 -0.229 0.000 1.077 444 L CA 1.456 56.220 54.840 -0.126 0.000 0.747 444 L CB -0.714 41.272 42.059 -0.121 0.000 0.896 444 L HN 0.301 nan 8.230 nan 0.000 0.432 445 C N -0.514 118.529 119.300 -0.428 0.000 2.440 445 C HA -0.074 4.387 4.460 0.001 0.000 0.278 445 C C 2.711 177.451 174.990 -0.416 0.000 1.295 445 C CA 0.706 59.368 59.018 -0.594 0.000 1.738 445 C CB -0.899 26.044 27.740 -1.327 0.000 1.987 445 C HN 0.594 nan 8.230 nan 0.000 0.492 446 I N 1.595 121.914 120.570 -0.418 0.000 2.202 446 I HA -0.160 4.010 4.170 0.001 0.000 0.242 446 I C 2.507 178.528 176.117 -0.159 0.000 1.091 446 I CA 1.891 62.993 61.300 -0.329 0.000 1.368 446 I CB -0.533 37.110 38.000 -0.595 0.000 1.058 446 I HN 0.324 nan 8.210 nan 0.000 0.410 447 V N -1.363 118.498 119.914 -0.089 0.000 2.871 447 V HA 0.077 4.198 4.120 0.001 0.000 0.256 447 V C 1.967 178.139 176.094 0.129 0.000 1.082 447 V CA 1.591 63.949 62.300 0.096 0.000 1.105 447 V CB -1.206 30.677 31.823 0.100 0.000 0.713 447 V HN 0.390 nan 8.190 nan 0.000 0.473 448 G N -0.251 108.557 108.800 0.012 0.000 3.042 448 G HA2 0.328 4.289 3.960 0.001 0.000 0.212 448 G HA3 0.328 4.289 3.960 0.001 0.000 0.212 448 G C 0.439 175.246 174.900 -0.155 0.000 1.166 448 G CA 0.542 45.555 45.100 -0.145 0.000 0.767 448 G HN 0.550 nan 8.290 nan 0.000 0.546 449 S N -0.599 115.043 115.700 -0.097 0.000 2.566 449 S HA 0.356 4.826 4.470 0.001 0.000 0.298 449 S C 0.678 175.247 174.600 -0.051 0.000 1.083 449 S CA -0.696 57.486 58.200 -0.029 0.000 0.978 449 S CB 1.334 64.509 63.200 -0.042 0.000 1.073 449 S HN 0.486 nan 8.310 nan 0.000 0.491 450 H N -0.431 118.624 119.070 -0.024 0.000 2.563 450 H HA 0.525 5.082 4.556 0.001 0.000 0.264 450 H C 0.129 175.420 175.328 -0.061 0.000 0.957 450 H CA 0.204 56.227 56.048 -0.042 0.000 1.173 450 H CB 0.177 29.925 29.762 -0.023 0.000 1.420 450 H HN 0.512 nan 8.280 nan 0.000 0.551 451 A N 1.150 123.662 122.820 -0.514 0.000 2.455 451 A HA 0.560 4.881 4.320 0.001 0.000 0.300 451 A C -1.371 175.989 177.584 -0.373 0.000 1.040 451 A CA -0.577 51.215 52.037 -0.409 0.000 0.697 451 A CB 2.303 21.042 19.000 -0.435 0.000 1.265 451 A HN 0.096 nan 8.150 nan 0.000 0.407 452 V N 4.085 123.722 119.914 -0.461 0.000 2.531 452 V HA 0.563 4.684 4.120 0.001 0.000 0.301 452 V C -0.716 175.134 176.094 -0.408 0.000 1.034 452 V CA -0.756 61.228 62.300 -0.527 0.000 0.865 452 V CB 1.830 33.097 31.823 -0.926 0.000 0.995 452 V HN 1.025 nan 8.190 nan 0.000 0.424 453 N N 3.034 121.524 118.700 -0.349 0.000 2.262 453 N HA 0.618 5.358 4.740 0.001 0.000 0.295 453 N C -0.320 175.076 175.510 -0.190 0.000 1.161 453 N CA -0.358 52.553 53.050 -0.232 0.000 0.767 453 N CB 2.863 41.193 38.487 -0.262 0.000 1.499 453 N HN 0.646 nan 8.380 nan 0.000 0.476 454 G N -0.809 107.946 108.800 -0.075 0.000 2.531 454 G HA2 0.438 4.399 3.960 0.001 0.000 0.313 454 G HA3 0.438 4.399 3.960 0.001 0.000 0.313 454 G C 0.631 175.621 174.900 0.150 0.000 1.238 454 G CA -0.491 44.658 45.100 0.083 0.000 0.994 454 G HN 0.658 nan 8.290 nan 0.000 0.493 455 V N -3.724 116.370 119.914 0.301 0.000 3.214 455 V HA 0.703 4.824 4.120 0.001 0.000 0.330 455 V C 0.430 176.612 176.094 0.147 0.000 1.403 455 V CA 0.185 62.576 62.300 0.153 0.000 1.143 455 V CB -0.772 31.108 31.823 0.095 0.000 1.098 455 V HN 1.467 nan 8.190 nan 0.000 0.463 456 A N -0.452 122.469 122.820 0.168 0.000 2.583 456 A HA 0.533 4.853 4.320 0.001 0.000 0.298 456 A C 0.409 178.066 177.584 0.121 0.000 1.055 456 A CA -0.272 51.846 52.037 0.136 0.000 0.714 456 A CB 0.983 20.051 19.000 0.113 0.000 1.277 456 A HN 0.053 nan 8.150 nan 0.000 0.406 457 K N 1.043 121.493 120.400 0.084 0.000 2.032 457 K HA -0.236 4.084 4.320 0.001 0.000 0.218 457 K C 1.736 178.364 176.600 0.046 0.000 1.054 457 K CA 2.235 58.554 56.287 0.052 0.000 0.941 457 K CB -0.299 32.227 32.500 0.043 0.000 0.720 457 K HN 0.708 nan 8.250 nan 0.000 0.449 458 I N 0.604 121.208 120.570 0.057 0.000 2.208 458 I HA -0.348 3.822 4.170 0.001 0.000 0.245 458 I C 2.560 178.712 176.117 0.058 0.000 1.097 458 I CA 1.797 63.124 61.300 0.044 0.000 1.363 458 I CB -0.115 37.910 38.000 0.040 0.000 1.051 458 I HN 0.281 nan 8.210 nan 0.000 0.413 459 H N 0.173 119.243 119.070 -0.001 0.000 2.333 459 H HA -0.089 4.468 4.556 0.001 0.000 0.302 459 H C 2.292 177.623 175.328 0.006 0.000 1.075 459 H CA 2.113 58.159 56.048 -0.003 0.000 1.348 459 H CB -0.223 29.539 29.762 0.000 0.000 1.393 459 H HN 0.245 nan 8.280 nan 0.000 0.509 460 S N -0.209 115.430 115.700 -0.101 0.000 2.399 460 S HA -0.170 4.300 4.470 0.001 0.000 0.231 460 S C 1.743 176.285 174.600 -0.097 0.000 1.022 460 S CA 1.396 59.518 58.200 -0.131 0.000 0.983 460 S CB -0.317 62.870 63.200 -0.020 0.000 0.803 460 S HN 0.656 nan 8.310 nan 0.000 0.480 461 D N 1.439 121.799 120.400 -0.066 0.000 2.097 461 D HA -0.047 4.594 4.640 0.001 0.000 0.197 461 D C 1.768 178.013 176.300 -0.092 0.000 0.984 461 D CA 1.033 54.998 54.000 -0.058 0.000 0.826 461 D CB -0.273 40.507 40.800 -0.034 0.000 0.973 461 D HN 0.352 nan 8.370 nan 0.000 0.460 462 I N -0.151 120.355 120.570 -0.108 0.000 2.208 462 I HA -0.246 3.924 4.170 0.001 0.000 0.245 462 I C 2.419 178.433 176.117 -0.171 0.000 1.097 462 I CA 0.611 61.838 61.300 -0.122 0.000 1.363 462 I CB -0.198 37.745 38.000 -0.095 0.000 1.051 462 I HN 0.029 nan 8.210 nan 0.000 0.413 463 V N 1.025 120.809 119.914 -0.218 0.000 2.295 463 V HA -0.320 3.801 4.120 0.001 0.000 0.246 463 V C 2.518 178.584 176.094 -0.046 0.000 1.049 463 V CA 2.110 64.334 62.300 -0.126 0.000 1.024 463 V CB -0.655 31.111 31.823 -0.095 0.000 0.648 463 V HN 0.435 nan 8.190 nan 0.000 0.447 464 K N 0.347 120.680 120.400 -0.112 0.000 1.991 464 K HA -0.169 4.152 4.320 0.001 0.000 0.207 464 K C 2.213 178.636 176.600 -0.296 0.000 1.045 464 K CA 2.002 58.092 56.287 -0.328 0.000 0.937 464 K CB -0.381 32.021 32.500 -0.162 0.000 0.720 464 K HN 0.604 nan 8.250 nan 0.000 0.438 465 T N -1.240 113.211 114.554 -0.171 0.000 3.067 465 T HA 0.034 4.385 4.350 0.001 0.000 0.261 465 T C 1.668 176.299 174.700 -0.114 0.000 1.110 465 T CA 0.510 62.533 62.100 -0.127 0.000 1.113 465 T CB 0.387 69.205 68.868 -0.085 0.000 0.917 465 T HN 0.092 nan 8.240 nan 0.000 0.499 466 K N 0.591 120.910 120.400 -0.135 0.000 2.448 466 K HA 0.256 4.576 4.320 0.001 0.000 0.220 466 K C 2.071 178.565 176.600 -0.178 0.000 1.259 466 K CA 0.744 56.954 56.287 -0.129 0.000 0.810 466 K CB -0.275 32.156 32.500 -0.114 0.000 1.540 466 K HN 0.197 nan 8.250 nan 0.000 0.434 467 V N 1.373 121.113 119.914 -0.291 0.000 2.287 467 V HA -0.168 3.953 4.120 0.001 0.000 0.248 467 V C 1.261 176.986 176.094 -0.616 0.000 1.053 467 V CA 1.719 63.693 62.300 -0.544 0.000 1.027 467 V CB -0.441 30.865 31.823 -0.861 0.000 0.646 467 V HN 0.213 nan 8.190 nan 0.000 0.447 468 F N -0.556 119.393 119.950 -0.002 0.000 2.893 468 F HA 0.352 4.880 4.527 0.001 0.000 0.340 468 F C 1.455 177.232 175.800 -0.039 0.000 1.300 468 F CA -0.325 57.721 58.000 0.078 0.000 1.227 468 F CB 0.140 39.169 39.000 0.047 0.000 1.044 468 F HN -0.104 nan 8.300 nan 0.000 0.512 469 K N 0.814 121.237 120.400 0.038 0.000 2.009 469 K HA -0.184 4.137 4.320 0.001 0.000 0.210 469 K C 1.359 177.951 176.600 -0.013 0.000 1.049 469 K CA 2.086 58.347 56.287 -0.042 0.000 0.929 469 K CB 0.031 32.496 32.500 -0.057 0.000 0.714 469 K HN 0.209 nan 8.250 nan 0.000 0.440 470 D N -0.151 120.247 120.400 -0.002 0.000 2.190 470 D HA -0.181 4.460 4.640 0.001 0.000 0.200 470 D C 1.742 177.934 176.300 -0.181 0.000 0.992 470 D CA 1.261 55.160 54.000 -0.169 0.000 0.854 470 D CB -0.174 40.439 40.800 -0.311 0.000 0.936 470 D HN 0.247 nan 8.370 nan 0.000 0.462 471 F N 1.199 121.170 119.950 0.036 0.000 2.179 471 F HA -0.082 4.445 4.527 0.001 0.000 0.292 471 F C 2.765 178.651 175.800 0.144 0.000 1.089 471 F CA 0.865 58.951 58.000 0.143 0.000 1.295 471 F CB -0.781 38.384 39.000 0.275 0.000 1.041 471 F HN -0.092 nan 8.300 nan 0.000 0.487 472 S N 0.095 115.840 115.700 0.075 0.000 2.399 472 S HA -0.208 4.263 4.470 0.001 0.000 0.231 472 S C 1.681 176.315 174.600 0.057 0.000 1.022 472 S CA 1.418 59.568 58.200 -0.083 0.000 0.983 472 S CB -0.773 62.100 63.200 -0.545 0.000 0.803 472 S HN 0.500 nan 8.310 nan 0.000 0.480 473 E N 1.328 121.546 120.200 0.030 0.000 2.153 473 E HA -0.022 4.329 4.350 0.001 0.000 0.194 473 E C 2.004 178.670 176.600 0.109 0.000 0.988 473 E CA 1.235 57.665 56.400 0.050 0.000 0.811 473 E CB -0.358 29.352 29.700 0.018 0.000 0.746 473 E HN 0.561 nan 8.360 nan 0.000 0.466 474 L N 0.262 121.568 121.223 0.138 0.000 2.162 474 L HA 0.008 4.348 4.340 0.001 0.000 0.205 474 L C 0.704 177.683 176.870 0.182 0.000 1.086 474 L CA 0.812 55.757 54.840 0.175 0.000 0.778 474 L CB 0.046 42.215 42.059 0.184 0.000 0.928 474 L HN -0.024 nan 8.230 nan 0.000 0.446 475 E N -0.676 119.659 120.200 0.225 0.000 3.108 475 E HA 0.160 4.511 4.350 0.001 0.000 0.228 475 E C -1.975 174.783 176.600 0.263 0.000 1.176 475 E CA -1.485 55.055 56.400 0.233 0.000 0.881 475 E CB 1.393 31.252 29.700 0.265 0.000 1.354 475 E HN 0.016 nan 8.360 nan 0.000 0.400 476 P HA -0.214 nan 4.420 nan 0.000 0.212 476 P C 0.794 178.206 177.300 0.187 0.000 1.178 476 P CA 1.139 64.335 63.100 0.159 0.000 0.915 476 P CB 0.258 32.017 31.700 0.098 0.000 0.788 477 D N -0.697 119.785 120.400 0.135 0.000 2.315 477 D HA -0.185 4.455 4.640 0.001 0.000 0.211 477 D C 1.779 178.140 176.300 0.102 0.000 0.977 477 D CA 0.940 55.003 54.000 0.104 0.000 0.894 477 D CB -0.273 40.572 40.800 0.075 0.000 0.910 477 D HN 0.346 nan 8.370 nan 0.000 0.490 478 K N -0.063 120.422 120.400 0.141 0.000 2.057 478 K HA -0.100 4.221 4.320 0.001 0.000 0.206 478 K C 0.320 176.840 176.600 -0.132 0.000 1.050 478 K CA 0.429 56.721 56.287 0.008 0.000 0.935 478 K CB 0.057 32.544 32.500 -0.021 0.000 0.715 478 K HN -0.107 nan 8.250 nan 0.000 0.439 479 F N 1.879 121.828 119.950 -0.002 0.000 2.412 479 F HA 0.242 4.770 4.527 0.001 0.000 0.348 479 F C 0.393 176.160 175.800 -0.056 0.000 1.102 479 F CA -0.058 57.922 58.000 -0.033 0.000 1.196 479 F CB 1.227 40.225 39.000 -0.003 0.000 1.144 479 F HN 0.080 nan 8.300 nan 0.000 0.541 480 Q N 1.313 121.121 119.800 0.014 0.000 2.683 480 Q HA 0.372 4.713 4.340 0.001 0.000 0.302 480 Q C -1.196 174.765 176.000 -0.066 0.000 1.042 480 Q CA -1.284 54.491 55.803 -0.046 0.000 0.773 480 Q CB 2.989 31.644 28.738 -0.139 0.000 1.508 480 Q HN 0.639 nan 8.270 nan 0.000 0.459 481 N N 0.584 119.229 118.700 -0.091 0.000 2.238 481 N HA 0.284 5.024 4.740 0.001 0.000 0.302 481 N C -1.534 173.889 175.510 -0.145 0.000 1.072 481 N CA -0.395 52.608 53.050 -0.078 0.000 0.792 481 N CB 1.198 39.668 38.487 -0.028 0.000 1.425 481 N HN 0.298 nan 8.380 nan 0.000 0.478 482 K N 2.723 123.044 120.400 -0.132 0.000 2.723 482 K HA 0.179 4.500 4.320 0.001 0.000 0.229 482 K C -0.972 175.657 176.600 0.048 0.000 1.022 482 K CA -0.472 55.710 56.287 -0.174 0.000 1.045 482 K CB 1.188 33.342 32.500 -0.577 0.000 1.227 482 K HN 0.552 nan 8.250 nan 0.000 0.516 483 T N 2.193 116.791 114.554 0.072 0.000 2.902 483 T HA 0.045 4.396 4.350 0.001 0.000 0.301 483 T C 0.823 175.665 174.700 0.237 0.000 1.012 483 T CA 0.421 62.613 62.100 0.153 0.000 1.151 483 T CB 0.195 69.156 68.868 0.155 0.000 0.946 483 T HN 0.368 nan 8.240 nan 0.000 0.542 484 N N 0.716 119.571 118.700 0.258 0.000 2.237 484 N HA 0.348 5.089 4.740 0.001 0.000 0.222 484 N C 0.473 176.173 175.510 0.316 0.000 1.311 484 N CA 0.016 53.244 53.050 0.298 0.000 0.880 484 N CB 0.326 38.921 38.487 0.179 0.000 1.106 484 N HN 0.759 nan 8.380 nan 0.000 0.435 485 G N -0.737 108.251 108.800 0.314 0.000 2.649 485 G HA2 0.579 4.539 3.960 0.001 0.000 0.290 485 G HA3 0.579 4.539 3.960 0.001 0.000 0.290 485 G C -1.419 173.607 174.900 0.210 0.000 1.426 485 G CA -0.746 44.525 45.100 0.286 0.000 0.794 485 G HN 0.600 nan 8.290 nan 0.000 0.483 486 I N -2.155 118.522 120.570 0.179 0.000 2.785 486 I HA 0.764 4.934 4.170 0.001 0.000 0.302 486 I C -0.230 176.038 176.117 0.252 0.000 1.069 486 I CA -0.948 60.447 61.300 0.157 0.000 1.045 486 I CB 2.467 40.445 38.000 -0.036 0.000 1.236 486 I HN 0.495 nan 8.210 nan 0.000 0.429 487 T N 4.303 119.065 114.554 0.347 0.000 2.794 487 T HA 0.362 4.713 4.350 0.001 0.000 0.296 487 T C -1.438 173.370 174.700 0.180 0.000 0.949 487 T CA -1.650 60.573 62.100 0.205 0.000 1.101 487 T CB 0.794 69.729 68.868 0.111 0.000 0.905 487 T HN 0.651 nan 8.240 nan 0.000 0.516 488 P HA 0.084 nan 4.420 nan 0.000 0.245 488 P C 0.910 178.159 177.300 -0.085 0.000 1.212 488 P CA 0.170 63.295 63.100 0.042 0.000 0.774 488 P CB 0.410 32.130 31.700 0.033 0.000 0.999 489 R N 0.570 120.973 120.500 -0.162 0.000 2.046 489 R HA 0.074 4.415 4.340 0.001 0.000 0.223 489 R C 2.703 178.856 176.300 -0.245 0.000 1.179 489 R CA 1.403 57.348 56.100 -0.259 0.000 0.952 489 R CB -1.226 28.926 30.300 -0.248 0.000 0.843 489 R HN -0.006 nan 8.270 nan 0.000 0.439 490 R N -0.671 119.629 120.500 -0.333 0.000 2.081 490 R HA -0.128 4.212 4.340 0.001 0.000 0.235 490 R C 0.986 176.877 176.300 -0.680 0.000 1.131 490 R CA 1.753 57.494 56.100 -0.599 0.000 0.960 490 R CB -0.244 29.530 30.300 -0.877 0.000 0.856 490 R HN 0.296 nan 8.270 nan 0.000 0.436 491 W N 0.107 121.344 121.300 -0.105 0.000 3.438 491 W HA 0.176 4.836 4.660 0.001 0.000 0.322 491 W C 1.174 177.642 176.519 -0.085 0.000 1.261 491 W CA -0.626 56.654 57.345 -0.107 0.000 1.788 491 W CB 0.438 29.837 29.460 -0.101 0.000 1.065 491 W HN 0.209 nan 8.180 nan 0.000 0.715 492 L N -1.723 119.519 121.223 0.033 0.000 1.719 492 L HA 0.086 4.427 4.340 0.001 0.000 0.119 492 L C 1.703 178.565 176.870 -0.013 0.000 1.421 492 L CA 0.363 55.226 54.840 0.037 0.000 1.093 492 L CB -0.916 41.195 42.059 0.086 0.000 2.237 492 L HN -0.113 nan 8.230 nan 0.000 0.465 493 L N 1.143 122.334 121.223 -0.052 0.000 2.042 493 L HA -0.223 4.118 4.340 0.001 0.000 0.210 493 L C 2.567 179.390 176.870 -0.078 0.000 1.076 493 L CA 1.216 56.018 54.840 -0.063 0.000 0.749 493 L CB -0.664 41.318 42.059 -0.129 0.000 0.893 493 L HN 0.401 nan 8.230 nan 0.000 0.432 494 L N 1.008 122.152 121.223 -0.131 0.000 1.982 494 L HA -0.167 4.174 4.340 0.001 0.000 0.206 494 L C 2.888 179.675 176.870 -0.139 0.000 1.078 494 L CA 2.456 57.203 54.840 -0.155 0.000 0.749 494 L CB -0.954 40.955 42.059 -0.249 0.000 0.894 494 L HN 0.576 nan 8.230 nan 0.000 0.436 495 C N -0.312 118.889 119.300 -0.165 0.000 2.432 495 C HA 0.034 4.495 4.460 0.001 0.000 0.282 495 C C 1.324 176.277 174.990 -0.062 0.000 1.388 495 C CA 0.144 59.089 59.018 -0.121 0.000 1.777 495 C CB -1.261 26.412 27.740 -0.111 0.000 1.882 495 C HN 0.680 nan 8.230 nan 0.000 0.520 496 N N 1.094 119.769 118.700 -0.042 0.000 2.733 496 N HA 0.276 5.017 4.740 0.001 0.000 0.271 496 N C -1.635 173.867 175.510 -0.013 0.000 1.720 496 N CA -1.690 51.347 53.050 -0.021 0.000 0.803 496 N CB 0.739 39.222 38.487 -0.006 0.000 1.208 496 N HN 0.277 nan 8.380 nan 0.000 0.498 497 P HA -0.075 nan 4.420 nan 0.000 0.218 497 P C 1.374 178.674 177.300 -0.001 0.000 1.148 497 P CA 0.987 64.083 63.100 -0.008 0.000 0.822 497 P CB 0.265 31.955 31.700 -0.015 0.000 0.784 498 G N 0.828 109.622 108.800 -0.010 0.000 2.446 498 G HA2 -0.231 3.729 3.960 0.001 0.000 0.217 498 G HA3 -0.231 3.729 3.960 0.001 0.000 0.217 498 G C 1.681 176.571 174.900 -0.018 0.000 1.168 498 G CA 0.381 45.472 45.100 -0.016 0.000 0.771 498 G HN 0.241 nan 8.290 nan 0.000 0.551 499 L N 0.481 121.693 121.223 -0.018 0.000 2.056 499 L HA -0.010 4.331 4.340 0.001 0.000 0.207 499 L C 3.312 180.179 176.870 -0.005 0.000 1.078 499 L CA 1.404 56.230 54.840 -0.024 0.000 0.749 499 L CB -0.392 41.656 42.059 -0.019 0.000 0.901 499 L HN 0.333 nan 8.230 nan 0.000 0.433 500 A N -0.337 122.503 122.820 0.034 0.000 1.908 500 A HA -0.306 4.014 4.320 0.001 0.000 0.218 500 A C 2.171 179.824 177.584 0.115 0.000 1.181 500 A CA 2.048 54.153 52.037 0.113 0.000 0.627 500 A CB -0.606 18.460 19.000 0.110 0.000 0.818 500 A HN 0.583 nan 8.150 nan 0.000 0.445 501 E N -0.395 119.841 120.200 0.059 0.000 2.051 501 E HA -0.160 4.191 4.350 0.001 0.000 0.192 501 E C 2.011 178.631 176.600 0.034 0.000 0.991 501 E CA 0.988 57.417 56.400 0.049 0.000 0.799 501 E CB -0.216 29.497 29.700 0.022 0.000 0.748 501 E HN 0.561 nan 8.360 nan 0.000 0.449 502 L N 0.922 122.150 121.223 0.009 0.000 2.012 502 L HA -0.217 4.123 4.340 0.001 0.000 0.210 502 L C 2.434 179.307 176.870 0.005 0.000 1.073 502 L CA 1.467 56.310 54.840 0.005 0.000 0.748 502 L CB -0.309 41.731 42.059 -0.031 0.000 0.891 502 L HN 0.335 nan 8.230 nan 0.000 0.431 503 I N -0.206 120.338 120.570 -0.044 0.000 2.226 503 I HA -0.288 3.883 4.170 0.001 0.000 0.245 503 I C 2.785 178.831 176.117 -0.118 0.000 1.100 503 I CA 1.158 62.354 61.300 -0.173 0.000 1.374 503 I CB -0.482 37.267 38.000 -0.418 0.000 1.057 503 I HN 0.295 nan 8.210 nan 0.000 0.413 504 A N 0.615 123.469 122.820 0.056 0.000 1.908 504 A HA -0.241 4.080 4.320 0.001 0.000 0.218 504 A C 2.144 179.775 177.584 0.079 0.000 1.181 504 A CA 1.824 53.970 52.037 0.182 0.000 0.627 504 A CB -0.612 18.513 19.000 0.209 0.000 0.818 504 A HN 0.471 nan 8.150 nan 0.000 0.445 505 E N -0.564 119.658 120.200 0.038 0.000 2.268 505 E HA -0.119 4.232 4.350 0.001 0.000 0.195 505 E C 1.720 178.322 176.600 0.004 0.000 0.995 505 E CA 0.919 57.335 56.400 0.027 0.000 0.836 505 E CB 0.058 29.774 29.700 0.026 0.000 0.763 505 E HN 0.370 nan 8.360 nan 0.000 0.491 506 K N 0.199 120.555 120.400 -0.073 0.000 2.242 506 K HA 0.099 4.420 4.320 0.001 0.000 0.200 506 K C 1.913 178.501 176.600 -0.020 0.000 1.050 506 K CA 0.690 56.879 56.287 -0.163 0.000 0.981 506 K CB 0.597 32.664 32.500 -0.721 0.000 0.795 506 K HN 0.293 nan 8.250 nan 0.000 0.477 507 I N -3.933 116.619 120.570 -0.030 0.000 4.310 507 I HA 0.377 4.548 4.170 0.001 0.000 0.328 507 I C 0.394 176.565 176.117 0.090 0.000 1.406 507 I CA -0.270 61.055 61.300 0.042 0.000 1.174 507 I CB 0.924 38.925 38.000 0.002 0.000 1.279 507 I HN 0.079 nan 8.210 nan 0.000 0.471 508 G N 2.096 110.959 108.800 0.105 0.000 2.685 508 G HA2 -0.198 3.762 3.960 0.001 0.000 0.387 508 G HA3 -0.198 3.762 3.960 0.001 0.000 0.387 508 G C -0.178 174.855 174.900 0.221 0.000 1.324 508 G CA 0.089 45.266 45.100 0.128 0.000 0.878 508 G HN 0.448 nan 8.290 nan 0.000 0.527 509 E N -0.362 119.918 120.200 0.133 0.000 2.501 509 E HA 0.132 4.483 4.350 0.001 0.000 0.201 509 E C 0.989 177.542 176.600 -0.079 0.000 1.016 509 E CA 0.063 56.480 56.400 0.029 0.000 0.920 509 E CB 0.270 29.967 29.700 -0.004 0.000 1.023 509 E HN 0.431 nan 8.360 nan 0.000 0.474 510 D N 0.627 121.054 120.400 0.046 0.000 2.182 510 D HA -0.198 4.443 4.640 0.001 0.000 0.201 510 D C 1.689 177.993 176.300 0.007 0.000 0.986 510 D CA 0.994 55.011 54.000 0.028 0.000 0.847 510 D CB -0.206 40.633 40.800 0.065 0.000 0.942 510 D HN 0.464 nan 8.370 nan 0.000 0.467 511 Y N 0.279 120.582 120.300 0.006 0.000 2.333 511 Y HA -0.176 4.374 4.550 0.001 0.000 0.290 511 Y C 2.119 178.002 175.900 -0.028 0.000 1.144 511 Y CA 0.972 59.065 58.100 -0.010 0.000 1.228 511 Y CB -1.142 37.308 38.460 -0.018 0.000 0.985 511 Y HN -0.025 nan 8.280 nan 0.000 0.542 512 V N -0.311 119.137 119.914 -0.777 0.000 2.332 512 V HA -0.253 3.868 4.120 0.001 0.000 0.248 512 V C 1.966 177.894 176.094 -0.276 0.000 1.055 512 V CA 2.253 64.182 62.300 -0.618 0.000 1.038 512 V CB -0.761 30.651 31.823 -0.684 0.000 0.651 512 V HN 0.426 nan 8.190 nan 0.000 0.450 513 K N 0.002 120.328 120.400 -0.123 0.000 2.379 513 K HA 0.126 4.447 4.320 0.001 0.000 0.194 513 K C 0.282 176.880 176.600 -0.003 0.000 1.031 513 K CA 0.687 56.962 56.287 -0.019 0.000 1.037 513 K CB 0.250 32.778 32.500 0.047 0.000 0.824 513 K HN 0.537 nan 8.250 nan 0.000 0.516 514 D N 0.634 121.036 120.400 0.003 0.000 2.405 514 D HA 0.049 4.689 4.640 0.001 0.000 0.264 514 D C 0.268 176.605 176.300 0.062 0.000 1.240 514 D CA -0.306 53.711 54.000 0.028 0.000 0.893 514 D CB 0.826 41.644 40.800 0.031 0.000 1.198 514 D HN -0.173 nan 8.370 nan 0.000 0.514 515 L N 2.454 123.714 121.223 0.062 0.000 2.261 515 L HA -0.123 4.217 4.340 0.001 0.000 0.216 515 L C 2.214 179.122 176.870 0.063 0.000 1.114 515 L CA 2.020 56.920 54.840 0.100 0.000 0.777 515 L CB -0.595 41.513 42.059 0.082 0.000 0.910 515 L HN 0.475 nan 8.230 nan 0.000 0.440 516 S N -1.914 113.802 115.700 0.027 0.000 2.440 516 S HA -0.233 4.237 4.470 0.001 0.000 0.238 516 S C 1.751 176.361 174.600 0.018 0.000 1.010 516 S CA 0.828 59.030 58.200 0.004 0.000 0.972 516 S CB -0.523 62.673 63.200 -0.007 0.000 0.774 516 S HN 0.534 nan 8.310 nan 0.000 0.501 517 Q N 0.969 120.798 119.800 0.049 0.000 2.439 517 Q HA 0.151 4.492 4.340 0.001 0.000 0.211 517 Q C 1.999 178.011 176.000 0.019 0.000 0.978 517 Q CA 0.557 56.393 55.803 0.055 0.000 0.897 517 Q CB -0.678 28.123 28.738 0.105 0.000 0.956 517 Q HN 0.622 nan 8.270 nan 0.000 0.483 518 L N 0.786 122.003 121.223 -0.010 0.000 2.265 518 L HA -0.159 4.182 4.340 0.001 0.000 0.215 518 L C 2.345 179.126 176.870 -0.147 0.000 1.117 518 L CA 1.531 56.309 54.840 -0.103 0.000 0.782 518 L CB -0.806 41.195 42.059 -0.097 0.000 0.914 518 L HN 0.313 nan 8.230 nan 0.000 0.441 519 T N -3.347 111.141 114.554 -0.110 0.000 2.897 519 T HA -0.221 4.129 4.350 0.001 0.000 0.271 519 T C 1.675 176.315 174.700 -0.099 0.000 1.084 519 T CA 0.930 62.937 62.100 -0.156 0.000 1.123 519 T CB -0.255 68.633 68.868 0.035 0.000 0.865 519 T HN 0.323 nan 8.240 nan 0.000 0.496 520 K N 0.826 121.204 120.400 -0.037 0.000 2.280 520 K HA 0.116 4.437 4.320 0.001 0.000 0.202 520 K C 2.037 178.671 176.600 0.056 0.000 1.047 520 K CA 0.849 57.151 56.287 0.024 0.000 0.942 520 K CB -0.455 32.067 32.500 0.036 0.000 0.739 520 K HN 0.399 nan 8.250 nan 0.000 0.457 521 L N -0.028 121.164 121.223 -0.052 0.000 2.353 521 L HA -0.182 4.159 4.340 0.001 0.000 0.220 521 L C 1.806 178.734 176.870 0.097 0.000 1.133 521 L CA 1.097 55.916 54.840 -0.035 0.000 0.798 521 L CB -0.591 41.362 42.059 -0.176 0.000 0.922 521 L HN 0.322 nan 8.230 nan 0.000 0.445 522 H N -1.194 117.917 119.070 0.069 0.000 2.489 522 H HA -0.124 4.433 4.556 0.001 0.000 0.295 522 H C 2.302 177.627 175.328 -0.005 0.000 1.082 522 H CA 1.023 57.094 56.048 0.037 0.000 1.295 522 H CB 0.205 29.972 29.762 0.008 0.000 1.380 522 H HN 0.267 nan 8.280 nan 0.000 0.548 523 S N 0.072 115.803 115.700 0.053 0.000 2.507 523 S HA -0.082 4.389 4.470 0.001 0.000 0.235 523 S C 0.613 174.949 174.600 -0.440 0.000 0.988 523 S CA 0.699 58.763 58.200 -0.227 0.000 0.944 523 S CB -0.038 62.923 63.200 -0.397 0.000 0.762 523 S HN 0.322 nan 8.310 nan 0.000 0.526 524 F N 0.481 120.347 119.950 -0.140 0.000 2.639 524 F HA 0.414 4.941 4.527 0.001 0.000 0.302 524 F C 1.273 177.079 175.800 0.009 0.000 1.097 524 F CA -0.461 57.442 58.000 -0.161 0.000 1.294 524 F CB -0.525 38.130 39.000 -0.575 0.000 1.027 524 F HN 0.066 nan 8.300 nan 0.000 0.550 525 L N -0.109 121.204 121.223 0.151 0.000 2.127 525 L HA -0.171 4.170 4.340 0.001 0.000 0.211 525 L C 2.430 179.374 176.870 0.122 0.000 1.089 525 L CA 1.685 56.615 54.840 0.151 0.000 0.757 525 L CB -0.695 41.426 42.059 0.103 0.000 0.899 525 L HN 0.393 nan 8.230 nan 0.000 0.434 526 G N -2.184 106.664 108.800 0.080 0.000 2.887 526 G HA2 -0.117 3.843 3.960 0.001 0.000 0.211 526 G HA3 -0.117 3.843 3.960 0.001 0.000 0.211 526 G C 0.349 175.305 174.900 0.093 0.000 1.152 526 G CA -0.247 44.892 45.100 0.065 0.000 0.769 526 G HN 0.155 nan 8.290 nan 0.000 0.541 527 D N 1.208 121.694 120.400 0.144 0.000 2.357 527 D HA 0.069 4.710 4.640 0.001 0.000 0.265 527 D C 0.664 177.098 176.300 0.223 0.000 1.334 527 D CA -0.079 54.040 54.000 0.199 0.000 0.984 527 D CB 0.376 41.372 40.800 0.325 0.000 1.077 527 D HN 0.166 nan 8.370 nan 0.000 0.514 528 D N 2.020 122.502 120.400 0.138 0.000 2.123 528 D HA -0.166 4.475 4.640 0.001 0.000 0.196 528 D C 2.080 178.441 176.300 0.100 0.000 0.992 528 D CA 0.928 54.989 54.000 0.102 0.000 0.833 528 D CB 0.374 41.212 40.800 0.063 0.000 0.954 528 D HN 0.266 nan 8.370 nan 0.000 0.455 529 V N 0.464 120.451 119.914 0.120 0.000 2.295 529 V HA -0.249 3.872 4.120 0.001 0.000 0.246 529 V C 1.940 178.105 176.094 0.118 0.000 1.049 529 V CA 1.422 63.785 62.300 0.103 0.000 1.024 529 V CB -0.583 31.310 31.823 0.115 0.000 0.648 529 V HN 0.203 nan 8.190 nan 0.000 0.447 530 F N 0.283 120.270 119.950 0.062 0.000 2.102 530 F HA -0.172 4.356 4.527 0.001 0.000 0.298 530 F C 2.126 177.930 175.800 0.006 0.000 1.105 530 F CA 1.540 59.554 58.000 0.024 0.000 1.239 530 F CB -0.329 38.713 39.000 0.070 0.000 0.991 530 F HN -0.008 nan 8.300 nan 0.000 0.474 531 L N 0.262 121.482 121.223 -0.005 0.000 2.127 531 L HA -0.207 4.134 4.340 0.001 0.000 0.211 531 L C 2.503 179.278 176.870 -0.159 0.000 1.089 531 L CA 1.644 56.421 54.840 -0.106 0.000 0.757 531 L CB -1.468 40.619 42.059 0.047 0.000 0.899 531 L HN 0.219 nan 8.230 nan 0.000 0.434 532 R N -0.257 120.179 120.500 -0.106 0.000 2.093 532 R HA -0.092 4.249 4.340 0.001 0.000 0.224 532 R C 2.196 178.409 176.300 -0.144 0.000 1.101 532 R CA 0.790 56.833 56.100 -0.095 0.000 0.979 532 R CB 0.084 30.357 30.300 -0.045 0.000 0.877 532 R HN 0.381 nan 8.270 nan 0.000 0.441 533 E N 0.019 120.102 120.200 -0.196 0.000 2.106 533 E HA -0.203 4.147 4.350 0.001 0.000 0.192 533 E C 1.728 178.151 176.600 -0.295 0.000 0.984 533 E CA 0.923 57.196 56.400 -0.212 0.000 0.806 533 E CB -0.022 29.564 29.700 -0.189 0.000 0.750 533 E HN 0.129 nan 8.360 nan 0.000 0.458 534 L N 0.899 121.835 121.223 -0.477 0.000 2.027 534 L HA -0.087 4.254 4.340 0.001 0.000 0.206 534 L C 2.205 178.950 176.870 -0.209 0.000 1.074 534 L CA 2.001 56.585 54.840 -0.427 0.000 0.745 534 L CB -0.603 41.110 42.059 -0.576 0.000 0.898 534 L HN 0.021 nan 8.230 nan 0.000 0.433 535 A N -0.764 121.957 122.820 -0.165 0.000 1.972 535 A HA -0.246 4.074 4.320 0.001 0.000 0.219 535 A C 2.441 179.970 177.584 -0.092 0.000 1.169 535 A CA 1.870 53.852 52.037 -0.092 0.000 0.635 535 A CB -0.606 18.346 19.000 -0.081 0.000 0.810 535 A HN 0.513 nan 8.150 nan 0.000 0.446 536 K N -0.210 120.128 120.400 -0.104 0.000 2.025 536 K HA -0.086 4.235 4.320 0.001 0.000 0.207 536 K C 1.813 178.367 176.600 -0.076 0.000 1.049 536 K CA 1.531 57.768 56.287 -0.083 0.000 0.933 536 K CB -0.284 32.169 32.500 -0.078 0.000 0.714 536 K HN 0.211 nan 8.250 nan 0.000 0.438 537 V N 1.855 121.716 119.914 -0.088 0.000 2.324 537 V HA -0.279 3.841 4.120 0.001 0.000 0.250 537 V C 2.401 178.462 176.094 -0.056 0.000 1.060 537 V CA 2.157 64.415 62.300 -0.070 0.000 1.042 537 V CB -0.505 31.269 31.823 -0.082 0.000 0.650 537 V HN 0.380 nan 8.190 nan 0.000 0.450 538 K N -0.153 120.212 120.400 -0.058 0.000 2.057 538 K HA -0.182 4.139 4.320 0.001 0.000 0.207 538 K C 2.226 178.777 176.600 -0.081 0.000 1.049 538 K CA 1.461 57.720 56.287 -0.048 0.000 0.931 538 K CB -0.488 32.002 32.500 -0.016 0.000 0.714 538 K HN 0.295 nan 8.250 nan 0.000 0.440 539 Q N 1.045 120.794 119.800 -0.085 0.000 2.061 539 Q HA -0.172 4.169 4.340 0.001 0.000 0.204 539 Q C 1.850 177.808 176.000 -0.071 0.000 0.984 539 Q CA 1.935 57.680 55.803 -0.098 0.000 0.846 539 Q CB -0.119 28.572 28.738 -0.079 0.000 0.902 539 Q HN 0.535 nan 8.270 nan 0.000 0.421 540 E N -0.125 120.047 120.200 -0.046 0.000 2.077 540 E HA -0.177 4.174 4.350 0.001 0.000 0.193 540 E C 1.870 178.470 176.600 -0.000 0.000 0.989 540 E CA 1.139 57.526 56.400 -0.020 0.000 0.800 540 E CB -0.228 29.461 29.700 -0.019 0.000 0.746 540 E HN 0.505 nan 8.360 nan 0.000 0.452 541 N N 0.797 119.491 118.700 -0.011 0.000 2.084 541 N HA -0.159 4.582 4.740 0.001 0.000 0.190 541 N C 1.732 177.276 175.510 0.057 0.000 1.030 541 N CA 0.981 54.041 53.050 0.017 0.000 0.849 541 N CB -0.013 38.468 38.487 -0.010 0.000 1.012 541 N HN 0.047 nan 8.380 nan 0.000 0.423 542 K N 0.427 120.801 120.400 -0.043 0.000 2.097 542 K HA -0.106 4.215 4.320 0.001 0.000 0.206 542 K C 1.816 178.459 176.600 0.071 0.000 1.049 542 K CA 0.769 56.984 56.287 -0.120 0.000 0.933 542 K CB -0.108 32.057 32.500 -0.559 0.000 0.717 542 K HN 0.055 nan 8.250 nan 0.000 0.442 543 L N 1.502 122.747 121.223 0.037 0.000 2.027 543 L HA -0.157 4.184 4.340 0.001 0.000 0.206 543 L C 2.249 179.195 176.870 0.127 0.000 1.074 543 L CA 1.722 56.608 54.840 0.076 0.000 0.745 543 L CB -0.408 41.672 42.059 0.035 0.000 0.898 543 L HN -0.037 nan 8.230 nan 0.000 0.433 544 K N -0.883 119.595 120.400 0.130 0.000 2.057 544 K HA -0.232 4.089 4.320 0.001 0.000 0.207 544 K C 2.071 178.815 176.600 0.239 0.000 1.049 544 K CA 1.666 58.044 56.287 0.152 0.000 0.931 544 K CB -0.726 31.848 32.500 0.123 0.000 0.714 544 K HN 0.204 nan 8.250 nan 0.000 0.440 545 F N 0.674 120.707 119.950 0.140 0.000 2.325 545 F HA -0.008 4.519 4.527 0.001 0.000 0.299 545 F C 1.904 177.887 175.800 0.305 0.000 1.090 545 F CA 1.047 59.170 58.000 0.205 0.000 1.392 545 F CB -0.297 38.825 39.000 0.204 0.000 1.053 545 F HN -0.010 nan 8.300 nan 0.000 0.521 546 S N 0.042 115.902 115.700 0.268 0.000 2.383 546 S HA -0.206 4.264 4.470 0.001 0.000 0.227 546 S C 1.865 176.504 174.600 0.066 0.000 1.026 546 S CA 1.295 59.601 58.200 0.177 0.000 0.981 546 S CB -0.298 63.055 63.200 0.255 0.000 0.818 546 S HN 0.524 nan 8.310 nan 0.000 0.472 547 Q N -0.050 119.804 119.800 0.090 0.000 2.050 547 Q HA -0.139 4.202 4.340 0.001 0.000 0.202 547 Q C 1.903 177.919 176.000 0.027 0.000 0.980 547 Q CA 1.530 57.368 55.803 0.059 0.000 0.840 547 Q CB -0.395 28.392 28.738 0.081 0.000 0.898 547 Q HN 0.560 nan 8.270 nan 0.000 0.424 548 F N 1.641 121.518 119.950 -0.121 0.000 2.043 548 F HA -0.258 4.270 4.527 0.001 0.000 0.297 548 F C 1.904 177.568 175.800 -0.227 0.000 1.121 548 F CA 1.507 59.399 58.000 -0.180 0.000 1.199 548 F CB -0.267 38.568 39.000 -0.275 0.000 0.968 548 F HN -0.041 nan 8.300 nan 0.000 0.478 549 L N -0.029 121.071 121.223 -0.205 0.000 2.042 549 L HA -0.250 4.090 4.340 0.001 0.000 0.210 549 L C 2.433 179.228 176.870 -0.125 0.000 1.076 549 L CA 1.883 56.603 54.840 -0.200 0.000 0.749 549 L CB -0.838 41.107 42.059 -0.190 0.000 0.893 549 L HN 0.270 nan 8.230 nan 0.000 0.432 550 E N -0.471 119.674 120.200 -0.091 0.000 2.072 550 E HA -0.189 4.162 4.350 0.001 0.000 0.191 550 E C 2.183 178.725 176.600 -0.096 0.000 0.985 550 E CA 1.775 58.143 56.400 -0.054 0.000 0.801 550 E CB -0.119 29.569 29.700 -0.020 0.000 0.750 550 E HN 0.593 nan 8.360 nan 0.000 0.452 551 T N -0.411 114.055 114.554 -0.145 0.000 2.915 551 T HA -0.096 4.254 4.350 0.001 0.000 0.269 551 T C 1.642 176.196 174.700 -0.242 0.000 1.071 551 T CA 0.820 62.819 62.100 -0.169 0.000 1.132 551 T CB 0.040 68.808 68.868 -0.166 0.000 0.878 551 T HN -0.023 nan 8.240 nan 0.000 0.479 552 E N -0.316 119.687 120.200 -0.328 0.000 2.140 552 E HA 0.180 4.530 4.350 0.001 0.000 0.191 552 E C -0.374 175.999 176.600 -0.379 0.000 0.973 552 E CA 0.614 56.797 56.400 -0.362 0.000 0.829 552 E CB 0.186 29.619 29.700 -0.446 0.000 0.781 552 E HN 0.590 nan 8.360 nan 0.000 0.466 553 Y N -0.334 119.884 120.300 -0.137 0.000 2.553 553 Y HA 0.241 4.792 4.550 0.001 0.000 0.347 553 Y C 0.176 176.039 175.900 -0.061 0.000 1.019 553 Y CA -1.116 56.938 58.100 -0.077 0.000 1.032 553 Y CB 1.454 39.881 38.460 -0.054 0.000 1.284 553 Y HN -0.402 nan 8.280 nan 0.000 0.466 554 K N 3.664 124.151 120.400 0.145 0.000 2.083 554 K HA 0.361 4.682 4.320 0.001 0.000 0.246 554 K C -1.513 175.140 176.600 0.088 0.000 1.160 554 K CA 0.107 56.441 56.287 0.078 0.000 1.060 554 K CB -1.022 31.512 32.500 0.057 0.000 1.417 554 K HN 0.532 nan 8.250 nan 0.000 0.329 555 V N 0.541 120.493 119.914 0.064 0.000 2.752 555 V HA 0.391 4.512 4.120 0.001 0.000 0.302 555 V C -0.572 175.539 176.094 0.028 0.000 1.133 555 V CA -1.345 60.980 62.300 0.041 0.000 0.919 555 V CB 1.802 33.643 31.823 0.030 0.000 1.026 555 V HN 0.221 nan 8.190 nan 0.000 0.429 556 K N 4.916 125.332 120.400 0.028 0.000 2.316 556 K HA 0.427 4.747 4.320 0.001 0.000 0.289 556 K C -0.661 175.961 176.600 0.037 0.000 1.070 556 K CA -0.521 55.785 56.287 0.032 0.000 0.928 556 K CB 0.918 33.438 32.500 0.032 0.000 1.039 556 K HN 0.756 nan 8.250 nan 0.000 0.480 557 I N 4.074 124.673 120.570 0.049 0.000 2.342 557 I HA 0.061 4.232 4.170 0.001 0.000 0.291 557 I C 0.747 176.930 176.117 0.109 0.000 1.010 557 I CA -0.603 60.740 61.300 0.072 0.000 1.308 557 I CB 0.690 38.751 38.000 0.101 0.000 1.400 557 I HN 0.503 nan 8.210 nan 0.000 0.488 558 N N 9.883 128.654 118.700 0.117 0.000 2.402 558 N HA 0.100 4.841 4.740 0.001 0.000 0.259 558 N C -1.488 174.131 175.510 0.182 0.000 1.167 558 N CA -1.520 51.602 53.050 0.120 0.000 0.949 558 N CB 1.178 39.725 38.487 0.100 0.000 1.212 558 N HN 0.333 nan 8.380 nan 0.000 0.493 559 P HA -0.126 nan 4.420 nan 0.000 0.221 559 P C 0.648 177.976 177.300 0.046 0.000 1.145 559 P CA 1.081 64.247 63.100 0.110 0.000 0.795 559 P CB 0.220 31.958 31.700 0.063 0.000 0.775 560 S N -1.742 113.991 115.700 0.056 0.000 2.556 560 S HA 0.107 4.578 4.470 0.001 0.000 0.216 560 S C 0.946 175.588 174.600 0.069 0.000 0.970 560 S CA -0.377 57.841 58.200 0.029 0.000 0.912 560 S CB -0.843 62.365 63.200 0.014 0.000 0.790 560 S HN 0.220 nan 8.310 nan 0.000 0.504 561 S N 1.859 117.626 115.700 0.113 0.000 2.592 561 S HA 0.454 4.925 4.470 0.001 0.000 0.271 561 S C 0.027 174.666 174.600 0.066 0.000 1.326 561 S CA -0.842 57.411 58.200 0.087 0.000 1.024 561 S CB 0.380 63.659 63.200 0.131 0.000 0.921 561 S HN 0.531 nan 8.310 nan 0.000 0.527 562 M N 2.718 122.166 119.600 -0.253 0.000 2.200 562 M HA 0.295 4.776 4.480 0.001 0.000 0.355 562 M C -1.649 174.653 176.300 0.002 0.000 1.283 562 M CA -0.236 54.717 55.300 -0.578 0.000 1.124 562 M CB -0.196 31.618 32.600 -1.310 0.000 1.625 562 M HN 0.672 nan 8.290 nan 0.000 0.463 563 F N 4.007 123.819 119.950 -0.230 0.000 2.368 563 F HA 0.218 4.746 4.527 0.001 0.000 0.362 563 F C 0.244 175.976 175.800 -0.113 0.000 1.137 563 F CA -0.892 57.049 58.000 -0.098 0.000 1.161 563 F CB -0.062 38.938 39.000 -0.000 0.000 1.265 563 F HN 0.473 nan 8.300 nan 0.000 0.530 564 D N 4.016 124.404 120.400 -0.020 0.000 2.396 564 D HA 0.338 4.979 4.640 0.001 0.000 0.225 564 D C -1.005 175.233 176.300 -0.103 0.000 1.121 564 D CA -0.070 53.881 54.000 -0.082 0.000 0.853 564 D CB 1.045 41.787 40.800 -0.098 0.000 1.043 564 D HN 0.291 nan 8.370 nan 0.000 0.500 565 V N 2.175 122.003 119.914 -0.143 0.000 2.735 565 V HA 0.593 4.714 4.120 0.001 0.000 0.310 565 V C -1.320 174.608 176.094 -0.278 0.000 1.061 565 V CA -0.743 61.454 62.300 -0.171 0.000 0.913 565 V CB 1.927 33.707 31.823 -0.072 0.000 1.005 565 V HN 0.512 nan 8.190 nan 0.000 0.428 566 Q N 3.985 123.646 119.800 -0.232 0.000 2.464 566 Q HA 0.639 4.980 4.340 0.001 0.000 0.256 566 Q C -1.399 174.429 176.000 -0.287 0.000 1.020 566 Q CA -0.621 55.033 55.803 -0.248 0.000 0.716 566 Q CB 1.828 30.450 28.738 -0.192 0.000 1.230 566 Q HN 1.162 nan 8.270 nan 0.000 0.494 567 V N 1.652 121.380 119.914 -0.311 0.000 2.409 567 V HA 0.859 4.980 4.120 0.001 0.000 0.291 567 V C -0.796 174.992 176.094 -0.510 0.000 1.020 567 V CA -0.522 61.383 62.300 -0.659 0.000 0.848 567 V CB 1.038 32.187 31.823 -1.123 0.000 0.990 567 V HN 0.809 nan 8.190 nan 0.000 0.430 568 K N 2.547 122.718 120.400 -0.381 0.000 2.931 568 K HA 0.444 4.765 4.320 0.001 0.000 0.292 568 K C -1.167 175.440 176.600 0.011 0.000 1.077 568 K CA -1.211 55.050 56.287 -0.043 0.000 0.829 568 K CB 0.852 33.313 32.500 -0.065 0.000 1.488 568 K HN 0.389 nan 8.250 nan 0.000 0.358 569 R N 0.935 121.488 120.500 0.088 0.000 2.638 569 R HA 0.136 4.477 4.340 0.001 0.000 0.268 569 R C 0.240 176.558 176.300 0.030 0.000 1.006 569 R CA -0.228 55.932 56.100 0.101 0.000 1.088 569 R CB -0.230 30.156 30.300 0.142 0.000 0.950 569 R HN 0.487 nan 8.270 nan 0.000 0.419 570 I N 4.357 124.959 120.570 0.053 0.000 2.396 570 I HA 0.118 4.289 4.170 0.001 0.000 0.289 570 I C 0.696 176.787 176.117 -0.043 0.000 1.056 570 I CA 0.453 61.739 61.300 -0.023 0.000 1.365 570 I CB -0.177 37.813 38.000 -0.016 0.000 1.407 570 I HN 0.356 nan 8.210 nan 0.000 0.509 571 H N 5.106 124.048 119.070 -0.213 0.000 3.079 571 H HA 0.226 4.783 4.556 0.001 0.000 0.356 571 H C 0.352 175.518 175.328 -0.269 0.000 1.221 571 H CA -0.385 55.572 56.048 -0.153 0.000 1.185 571 H CB 1.806 31.481 29.762 -0.144 0.000 1.882 571 H HN 0.591 nan 8.280 nan 0.000 0.543 572 E N 1.954 122.240 120.200 0.144 0.000 2.110 572 E HA -0.220 4.131 4.350 0.001 0.000 0.193 572 E C 1.303 177.680 176.600 -0.373 0.000 0.988 572 E CA 1.672 58.099 56.400 0.044 0.000 0.804 572 E CB -0.030 29.893 29.700 0.371 0.000 0.745 572 E HN 0.570 nan 8.360 nan 0.000 0.458 573 Y N 0.851 120.622 120.300 -0.881 0.000 2.352 573 Y HA -0.014 4.537 4.550 0.001 0.000 0.292 573 Y C 1.534 177.117 175.900 -0.528 0.000 1.136 573 Y CA 0.849 58.121 58.100 -1.380 0.000 1.227 573 Y CB -0.103 37.554 38.460 -1.338 0.000 0.991 573 Y HN -0.211 nan 8.280 nan 0.000 0.545 574 K N 0.714 120.573 120.400 -0.902 0.000 2.366 574 K HA 0.065 4.386 4.320 0.001 0.000 0.198 574 K C 0.144 176.549 176.600 -0.326 0.000 1.044 574 K CA 0.503 56.407 56.287 -0.637 0.000 0.973 574 K CB -0.030 32.085 32.500 -0.642 0.000 0.767 574 K HN 0.264 nan 8.250 nan 0.000 0.475 575 R N 1.162 121.499 120.500 -0.270 0.000 3.333 575 R HA -0.176 4.164 4.340 0.001 0.000 0.256 575 R C 0.641 176.848 176.300 -0.155 0.000 1.010 575 R CA 0.541 56.540 56.100 -0.168 0.000 0.680 575 R CB -1.682 28.538 30.300 -0.134 0.000 1.102 575 R HN 0.419 nan 8.270 nan 0.000 0.440 576 Q N 0.149 119.860 119.800 -0.148 0.000 2.437 576 Q HA -0.097 4.244 4.340 0.001 0.000 0.210 576 Q C 1.801 177.751 176.000 -0.085 0.000 0.972 576 Q CA 0.842 56.576 55.803 -0.115 0.000 0.903 576 Q CB 0.021 28.700 28.738 -0.099 0.000 0.967 576 Q HN 0.660 nan 8.270 nan 0.000 0.486 577 L N 0.372 121.543 121.223 -0.087 0.000 2.056 577 L HA -0.168 4.173 4.340 0.001 0.000 0.207 577 L C 2.236 179.100 176.870 -0.010 0.000 1.078 577 L CA 0.754 55.555 54.840 -0.064 0.000 0.749 577 L CB -0.180 41.844 42.059 -0.058 0.000 0.901 577 L HN 0.240 nan 8.230 nan 0.000 0.433 578 L N 0.055 121.267 121.223 -0.018 0.000 2.046 578 L HA -0.269 4.072 4.340 0.001 0.000 0.208 578 L C 2.027 178.965 176.870 0.114 0.000 1.077 578 L CA 2.158 57.016 54.840 0.029 0.000 0.747 578 L CB -0.905 41.067 42.059 -0.146 0.000 0.896 578 L HN 0.334 nan 8.230 nan 0.000 0.432 579 N N -1.695 117.021 118.700 0.027 0.000 2.120 579 N HA -0.278 4.463 4.740 0.001 0.000 0.188 579 N C 2.140 177.754 175.510 0.175 0.000 1.024 579 N CA 1.414 54.568 53.050 0.173 0.000 0.852 579 N CB -0.265 38.246 38.487 0.040 0.000 1.003 579 N HN 0.584 nan 8.380 nan 0.000 0.424 580 C N 0.597 119.929 119.300 0.053 0.000 2.429 580 C HA -0.003 4.458 4.460 0.001 0.000 0.277 580 C C 2.555 177.554 174.990 0.016 0.000 1.262 580 C CA 0.358 59.362 59.018 -0.024 0.000 1.733 580 C CB -1.354 26.315 27.740 -0.118 0.000 2.010 580 C HN 0.492 nan 8.230 nan 0.000 0.483 581 L N -0.218 121.072 121.223 0.112 0.000 2.042 581 L HA -0.179 4.161 4.340 0.001 0.000 0.210 581 L C 2.825 179.861 176.870 0.276 0.000 1.076 581 L CA 2.132 57.083 54.840 0.185 0.000 0.749 581 L CB -1.217 41.012 42.059 0.284 0.000 0.893 581 L HN 0.580 nan 8.230 nan 0.000 0.432 582 H N 0.002 119.217 119.070 0.241 0.000 2.387 582 H HA -0.121 4.436 4.556 0.001 0.000 0.299 582 H C 2.179 177.541 175.328 0.057 0.000 1.090 582 H CA 1.759 57.881 56.048 0.122 0.000 1.332 582 H CB 0.339 30.108 29.762 0.012 0.000 1.386 582 H HN 0.112 nan 8.280 nan 0.000 0.516 583 V N 1.521 121.420 119.914 -0.026 0.000 2.295 583 V HA -0.260 3.860 4.120 0.001 0.000 0.246 583 V C 2.863 178.919 176.094 -0.064 0.000 1.049 583 V CA 1.782 64.026 62.300 -0.094 0.000 1.024 583 V CB -0.499 31.293 31.823 -0.051 0.000 0.648 583 V HN 0.372 nan 8.190 nan 0.000 0.447 584 I N -0.062 120.495 120.570 -0.022 0.000 2.226 584 I HA -0.232 3.939 4.170 0.001 0.000 0.245 584 I C 2.541 178.736 176.117 0.130 0.000 1.100 584 I CA 1.795 63.151 61.300 0.093 0.000 1.374 584 I CB -0.774 37.270 38.000 0.074 0.000 1.057 584 I HN 0.314 nan 8.210 nan 0.000 0.413 585 T N 0.962 115.545 114.554 0.050 0.000 2.720 585 T HA -0.201 4.149 4.350 0.001 0.000 0.268 585 T C 1.914 176.565 174.700 -0.082 0.000 1.037 585 T CA 1.516 63.629 62.100 0.021 0.000 1.144 585 T CB -0.194 68.712 68.868 0.064 0.000 0.864 585 T HN 0.283 nan 8.240 nan 0.000 0.444 586 M N -0.406 119.083 119.600 -0.186 0.000 2.175 586 M HA -0.036 4.444 4.480 0.001 0.000 0.264 586 M C 2.194 178.403 176.300 -0.152 0.000 1.063 586 M CA 1.411 56.589 55.300 -0.204 0.000 1.119 586 M CB -0.431 32.040 32.600 -0.214 0.000 1.377 586 M HN 0.273 nan 8.290 nan 0.000 0.415 587 Y N 2.018 122.238 120.300 -0.134 0.000 2.114 587 Y HA -0.236 4.315 4.550 0.001 0.000 0.284 587 Y C 2.081 177.932 175.900 -0.081 0.000 1.143 587 Y CA 1.739 59.796 58.100 -0.072 0.000 1.135 587 Y CB -0.550 37.945 38.460 0.058 0.000 0.980 587 Y HN 0.249 nan 8.280 nan 0.000 0.499 588 N N 0.457 119.053 118.700 -0.173 0.000 2.289 588 N HA -0.140 4.600 4.740 0.001 0.000 0.184 588 N C 1.859 177.206 175.510 -0.272 0.000 1.016 588 N CA 1.338 54.225 53.050 -0.271 0.000 0.872 588 N CB -0.311 38.108 38.487 -0.113 0.000 0.973 588 N HN 0.490 nan 8.380 nan 0.000 0.433 589 R N 0.430 120.785 120.500 -0.241 0.000 2.073 589 R HA 0.131 4.472 4.340 0.001 0.000 0.229 589 R C 2.254 178.375 176.300 -0.298 0.000 1.120 589 R CA 0.687 56.647 56.100 -0.234 0.000 0.967 589 R CB -0.191 29.980 30.300 -0.215 0.000 0.862 589 R HN 0.209 nan 8.270 nan 0.000 0.436 590 I N 1.057 121.388 120.570 -0.398 0.000 2.226 590 I HA -0.265 3.906 4.170 0.001 0.000 0.245 590 I C 2.096 178.025 176.117 -0.312 0.000 1.100 590 I CA 1.155 62.217 61.300 -0.398 0.000 1.374 590 I CB -0.233 37.512 38.000 -0.425 0.000 1.057 590 I HN 0.037 nan 8.210 nan 0.000 0.413 591 K N 1.010 121.172 120.400 -0.397 0.000 2.097 591 K HA -0.194 4.127 4.320 0.001 0.000 0.206 591 K C 2.023 178.488 176.600 -0.225 0.000 1.049 591 K CA 1.289 57.370 56.287 -0.343 0.000 0.933 591 K CB -0.332 31.867 32.500 -0.502 0.000 0.717 591 K HN 0.341 nan 8.250 nan 0.000 0.442 592 K N 0.558 120.829 120.400 -0.216 0.000 2.021 592 K HA -0.095 4.226 4.320 0.001 0.000 0.205 592 K C 0.461 176.988 176.600 -0.121 0.000 1.047 592 K CA 1.188 57.384 56.287 -0.151 0.000 0.943 592 K CB 0.219 32.636 32.500 -0.139 0.000 0.725 592 K HN -0.114 nan 8.250 nan 0.000 0.439 593 D N 1.698 122.019 120.400 -0.132 0.000 2.634 593 D HA 0.199 4.840 4.640 0.001 0.000 0.318 593 D C -2.249 173.988 176.300 -0.105 0.000 1.226 593 D CA -1.857 52.083 54.000 -0.099 0.000 0.899 593 D CB 0.733 41.484 40.800 -0.081 0.000 1.025 593 D HN 0.181 nan 8.370 nan 0.000 0.501 599 V N 8.147 127.590 119.914 -0.785 0.000 2.455 599 V HA 0.341 4.461 4.120 0.001 0.000 0.273 599 V C -1.815 173.614 176.094 -1.108 0.000 1.045 599 V CA -1.188 60.723 62.300 -0.648 0.000 0.976 599 V CB 0.818 32.391 31.823 -0.417 0.000 0.993 599 V HN 0.530 nan 8.190 nan 0.000 0.475 600 P HA 0.375 nan 4.420 nan 0.000 0.275 600 P C -0.904 176.240 177.300 -0.260 0.000 1.228 600 P CA -0.473 62.451 63.100 -0.294 0.000 0.786 600 P CB 0.925 32.605 31.700 -0.034 0.000 0.927 601 R N -0.607 119.823 120.500 -0.116 0.000 2.680 601 R HA 0.643 4.984 4.340 0.001 0.000 0.269 601 R C -1.288 174.988 176.300 -0.040 0.000 1.026 601 R CA -0.828 55.206 56.100 -0.111 0.000 0.889 601 R CB 0.479 30.662 30.300 -0.194 0.000 1.241 601 R HN 0.164 nan 8.270 nan 0.000 0.463 602 T N 1.962 116.466 114.554 -0.084 0.000 2.770 602 T HA 0.281 4.632 4.350 0.001 0.000 0.297 602 T C -0.413 174.164 174.700 -0.205 0.000 0.997 602 T CA -0.551 61.430 62.100 -0.198 0.000 0.949 602 T CB 1.103 69.667 68.868 -0.507 0.000 0.941 602 T HN 0.319 nan 8.240 nan 0.000 0.457 603 V N 6.204 126.041 119.914 -0.127 0.000 2.385 603 V HA 0.407 4.527 4.120 0.001 0.000 0.269 603 V C 0.130 176.151 176.094 -0.122 0.000 1.043 603 V CA -0.554 61.685 62.300 -0.102 0.000 0.906 603 V CB 0.450 32.245 31.823 -0.047 0.000 0.995 603 V HN 0.776 nan 8.190 nan 0.000 0.467 604 I N 6.512 127.002 120.570 -0.134 0.000 2.378 604 I HA 0.531 4.702 4.170 0.001 0.000 0.291 604 I C -0.509 175.512 176.117 -0.161 0.000 0.992 604 I CA -0.331 60.891 61.300 -0.130 0.000 1.154 604 I CB 1.708 39.653 38.000 -0.093 0.000 1.315 604 I HN 0.417 nan 8.210 nan 0.000 0.448 605 I N 5.166 125.613 120.570 -0.204 0.000 2.466 605 I HA 0.654 4.824 4.170 0.001 0.000 0.289 605 I C 0.094 175.841 176.117 -0.617 0.000 1.026 605 I CA -0.355 60.776 61.300 -0.283 0.000 1.078 605 I CB 2.110 40.028 38.000 -0.136 0.000 1.249 605 I HN 0.670 nan 8.210 nan 0.000 0.429 606 G N 3.199 111.614 108.800 -0.641 0.000 2.660 606 G HA2 0.851 4.811 3.960 0.001 0.000 0.294 606 G HA3 0.851 4.811 3.960 0.001 0.000 0.294 606 G C -1.019 173.560 174.900 -0.536 0.000 1.369 606 G CA -0.851 43.742 45.100 -0.844 0.000 0.912 606 G HN 0.944 nan 8.290 nan 0.000 0.479 607 G N -0.322 108.306 108.800 -0.286 0.000 2.358 607 G HA2 0.437 4.397 3.960 0.001 0.000 0.303 607 G HA3 0.437 4.397 3.960 0.001 0.000 0.303 607 G C -1.396 173.624 174.900 0.199 0.000 1.537 607 G CA -1.014 44.104 45.100 0.031 0.000 0.928 607 G HN 0.598 nan 8.290 nan 0.000 0.656 608 K N -0.131 120.394 120.400 0.208 0.000 2.110 608 K HA 0.755 5.075 4.320 0.001 0.000 0.263 608 K C 0.124 176.881 176.600 0.261 0.000 0.975 608 K CA -0.336 56.099 56.287 0.245 0.000 0.895 608 K CB 2.137 34.663 32.500 0.042 0.000 1.060 608 K HN 0.826 nan 8.250 nan 0.000 0.448 609 A N 1.439 124.456 122.820 0.330 0.000 2.324 609 A HA 0.648 4.968 4.320 0.001 0.000 0.330 609 A C -0.481 177.296 177.584 0.322 0.000 1.165 609 A CA -0.740 51.430 52.037 0.223 0.000 0.813 609 A CB 1.091 20.141 19.000 0.084 0.000 1.197 609 A HN 0.778 nan 8.150 nan 0.000 0.484 610 A N 3.585 126.580 122.820 0.291 0.000 2.511 610 A HA 0.470 4.791 4.320 0.001 0.000 0.242 610 A C -1.384 176.280 177.584 0.134 0.000 1.069 610 A CA -0.791 51.404 52.037 0.262 0.000 0.763 610 A CB -0.377 18.747 19.000 0.207 0.000 1.001 610 A HN 0.603 nan 8.150 nan 0.000 0.498 611 P HA -0.183 nan 4.420 nan 0.000 0.216 611 P C 1.375 178.658 177.300 -0.029 0.000 1.154 611 P CA 2.146 65.178 63.100 -0.114 0.000 0.865 611 P CB 0.176 31.753 31.700 -0.204 0.000 0.789 612 G N -3.299 105.501 108.800 -0.000 0.000 3.088 612 G HA2 -0.115 3.846 3.960 0.001 0.000 0.212 612 G HA3 -0.115 3.846 3.960 0.001 0.000 0.212 612 G C -0.197 174.715 174.900 0.019 0.000 1.173 612 G CA -0.022 45.077 45.100 -0.003 0.000 0.779 612 G HN 0.178 nan 8.290 nan 0.000 0.540 613 Y N 1.857 122.085 120.300 -0.119 0.000 2.650 613 Y HA 0.294 4.844 4.550 0.001 0.000 0.343 613 Y C 1.371 177.244 175.900 -0.045 0.000 1.078 613 Y CA -2.068 55.938 58.100 -0.156 0.000 1.356 613 Y CB -0.236 38.106 38.460 -0.197 0.000 1.204 613 Y HN 0.356 nan 8.280 nan 0.000 0.508 614 H N 3.537 122.716 119.070 0.182 0.000 2.265 614 H HA -0.250 4.307 4.556 0.001 0.000 0.295 614 H C 2.000 177.349 175.328 0.035 0.000 1.084 614 H CA 2.989 59.089 56.048 0.087 0.000 1.261 614 H CB 0.153 29.957 29.762 0.070 0.000 1.360 614 H HN 0.598 nan 8.280 nan 0.000 0.487 615 M N 0.336 119.869 119.600 -0.110 0.000 2.149 615 M HA -0.074 4.407 4.480 0.001 0.000 0.261 615 M C 2.386 178.430 176.300 -0.426 0.000 1.064 615 M CA 1.894 57.035 55.300 -0.265 0.000 1.102 615 M CB -0.819 31.756 32.600 -0.042 0.000 1.369 615 M HN 0.417 nan 8.290 nan 0.000 0.408 616 A N -0.456 121.888 122.820 -0.793 0.000 1.902 616 A HA -0.203 4.117 4.320 0.001 0.000 0.217 616 A C 2.214 179.603 177.584 -0.325 0.000 1.181 616 A CA 1.941 53.546 52.037 -0.720 0.000 0.623 616 A CB -0.641 17.720 19.000 -1.065 0.000 0.818 616 A HN 0.579 nan 8.150 nan 0.000 0.443 617 K N -1.212 119.060 120.400 -0.213 0.000 2.097 617 K HA -0.064 4.257 4.320 0.001 0.000 0.205 617 K C 2.022 178.600 176.600 -0.037 0.000 1.050 617 K CA 1.303 57.564 56.287 -0.044 0.000 0.938 617 K CB -0.217 32.332 32.500 0.081 0.000 0.718 617 K HN 0.341 nan 8.250 nan 0.000 0.442 618 M N 0.593 120.125 119.600 -0.112 0.000 2.132 618 M HA -0.099 4.381 4.480 0.001 0.000 0.263 618 M C 2.144 178.363 176.300 -0.136 0.000 1.065 618 M CA 1.485 56.742 55.300 -0.071 0.000 1.122 618 M CB -0.682 31.847 32.600 -0.118 0.000 1.365 618 M HN 0.131 nan 8.290 nan 0.000 0.411 619 I N -0.315 120.141 120.570 -0.189 0.000 2.361 619 I HA -0.304 3.867 4.170 0.001 0.000 0.251 619 I C 2.304 178.276 176.117 -0.242 0.000 1.133 619 I CA 1.001 62.175 61.300 -0.211 0.000 1.413 619 I CB -0.307 37.576 38.000 -0.195 0.000 1.073 619 I HN 0.205 nan 8.210 nan 0.000 0.424 620 I N 0.354 120.767 120.570 -0.262 0.000 2.163 620 I HA -0.269 3.901 4.170 0.001 0.000 0.240 620 I C 2.679 178.480 176.117 -0.527 0.000 1.081 620 I CA 1.155 62.195 61.300 -0.434 0.000 1.353 620 I CB -0.426 37.309 38.000 -0.441 0.000 1.054 620 I HN 0.161 nan 8.210 nan 0.000 0.407 621 K N 1.170 121.276 120.400 -0.491 0.000 2.103 621 K HA -0.182 4.139 4.320 0.001 0.000 0.207 621 K C 2.138 178.522 176.600 -0.360 0.000 1.048 621 K CA 1.348 57.255 56.287 -0.634 0.000 0.930 621 K CB -0.468 31.311 32.500 -1.203 0.000 0.716 621 K HN 0.298 nan 8.250 nan 0.000 0.444 622 L N 0.960 121.974 121.223 -0.347 0.000 1.989 622 L HA -0.212 4.129 4.340 0.001 0.000 0.211 622 L C 2.329 178.895 176.870 -0.507 0.000 1.071 622 L CA 1.554 55.983 54.840 -0.685 0.000 0.749 622 L CB -0.408 41.203 42.059 -0.745 0.000 0.890 622 L HN 0.173 nan 8.230 nan 0.000 0.431 623 I N -0.042 120.302 120.570 -0.377 0.000 2.163 623 I HA -0.334 3.836 4.170 0.001 0.000 0.243 623 I C 2.636 178.598 176.117 -0.258 0.000 1.085 623 I CA 1.896 63.036 61.300 -0.266 0.000 1.347 623 I CB -0.671 37.279 38.000 -0.084 0.000 1.044 623 I HN 0.452 nan 8.210 nan 0.000 0.408 624 T N -2.143 112.219 114.554 -0.319 0.000 2.746 624 T HA -0.122 4.229 4.350 0.001 0.000 0.267 624 T C 2.002 176.572 174.700 -0.217 0.000 1.039 624 T CA 1.536 63.472 62.100 -0.273 0.000 1.142 624 T CB -0.531 68.131 68.868 -0.343 0.000 0.866 624 T HN 0.208 nan 8.240 nan 0.000 0.444 625 S N 1.274 116.847 115.700 -0.212 0.000 2.353 625 S HA -0.076 4.394 4.470 0.001 0.000 0.222 625 S C 2.278 176.796 174.600 -0.137 0.000 1.035 625 S CA 1.292 59.431 58.200 -0.101 0.000 1.025 625 S CB -0.781 62.460 63.200 0.069 0.000 0.902 625 S HN 0.394 nan 8.310 nan 0.000 0.440 626 V N 2.206 121.913 119.914 -0.345 0.000 2.287 626 V HA -0.254 3.867 4.120 0.001 0.000 0.248 626 V C 2.669 178.604 176.094 -0.265 0.000 1.053 626 V CA 1.802 63.802 62.300 -0.501 0.000 1.027 626 V CB -1.296 30.102 31.823 -0.709 0.000 0.646 626 V HN 0.558 nan 8.190 nan 0.000 0.447 627 A N -0.254 122.439 122.820 -0.212 0.000 1.940 627 A HA -0.294 4.027 4.320 0.001 0.000 0.219 627 A C 1.958 179.471 177.584 -0.118 0.000 1.176 627 A CA 2.243 54.191 52.037 -0.148 0.000 0.631 627 A CB -0.724 18.198 19.000 -0.130 0.000 0.814 627 A HN 0.552 nan 8.150 nan 0.000 0.446 628 D N -0.859 119.475 120.400 -0.111 0.000 2.104 628 D HA -0.138 4.503 4.640 0.001 0.000 0.194 628 D C 2.015 178.272 176.300 -0.071 0.000 0.994 628 D CA 1.587 55.541 54.000 -0.077 0.000 0.830 628 D CB -0.365 40.395 40.800 -0.066 0.000 0.959 628 D HN 0.235 nan 8.370 nan 0.000 0.452 629 V N 0.427 120.291 119.914 -0.083 0.000 2.307 629 V HA -0.178 3.942 4.120 0.001 0.000 0.245 629 V C 2.358 178.367 176.094 -0.143 0.000 1.045 629 V CA 2.163 64.392 62.300 -0.120 0.000 1.024 629 V CB -0.385 31.351 31.823 -0.145 0.000 0.651 629 V HN 0.209 nan 8.190 nan 0.000 0.449 630 V N -0.090 119.703 119.914 -0.202 0.000 2.358 630 V HA -0.174 3.947 4.120 0.001 0.000 0.246 630 V C 2.302 178.402 176.094 0.010 0.000 1.047 630 V CA 2.535 64.769 62.300 -0.110 0.000 1.035 630 V CB -1.482 30.284 31.823 -0.096 0.000 0.658 630 V HN 0.602 nan 8.190 nan 0.000 0.452 631 N N 1.606 120.293 118.700 -0.022 0.000 2.309 631 N HA -0.083 4.658 4.740 0.001 0.000 0.182 631 N C 1.525 177.045 175.510 0.016 0.000 1.018 631 N CA 1.629 54.679 53.050 -0.000 0.000 0.876 631 N CB -0.564 37.911 38.487 -0.020 0.000 0.972 631 N HN 0.649 nan 8.380 nan 0.000 0.434 632 N N 0.381 119.087 118.700 0.010 0.000 2.388 632 N HA -0.060 4.680 4.740 0.001 0.000 0.176 632 N C -0.117 175.417 175.510 0.041 0.000 1.062 632 N CA 0.076 53.137 53.050 0.018 0.000 0.895 632 N CB 0.200 38.688 38.487 0.000 0.000 1.018 632 N HN 0.182 nan 8.380 nan 0.000 0.456 633 D N 3.371 123.815 120.400 0.074 0.000 2.389 633 D HA -0.003 4.638 4.640 0.001 0.000 0.263 633 D C -1.244 175.112 176.300 0.093 0.000 1.255 633 D CA -1.285 52.788 54.000 0.122 0.000 0.914 633 D CB 1.562 42.529 40.800 0.278 0.000 1.116 633 D HN 0.123 nan 8.370 nan 0.000 0.502 634 P HA -0.183 nan 4.420 nan 0.000 0.220 634 P C 1.754 179.077 177.300 0.039 0.000 1.148 634 P CA 0.735 63.862 63.100 0.044 0.000 0.803 634 P CB 0.227 31.946 31.700 0.032 0.000 0.782 635 M N 0.493 120.117 119.600 0.040 0.000 2.117 635 M HA -0.114 4.367 4.480 0.001 0.000 0.262 635 M C 2.059 178.362 176.300 0.005 0.000 1.065 635 M CA 1.902 57.209 55.300 0.011 0.000 1.114 635 M CB -0.308 32.285 32.600 -0.012 0.000 1.361 635 M HN -0.137 nan 8.290 nan 0.000 0.408 636 V N -1.870 118.065 119.914 0.036 0.000 2.488 636 V HA 0.198 4.319 4.120 0.001 0.000 0.246 636 V C 1.606 177.731 176.094 0.051 0.000 1.046 636 V CA 1.070 63.390 62.300 0.033 0.000 1.053 636 V CB -1.918 29.970 31.823 0.108 0.000 0.679 636 V HN 0.679 nan 8.190 nan 0.000 0.458 637 G N 1.398 110.234 108.800 0.060 0.000 2.652 637 G HA2 -0.434 3.527 3.960 0.001 0.000 0.318 637 G HA3 -0.434 3.527 3.960 0.001 0.000 0.318 637 G C 1.083 176.023 174.900 0.066 0.000 1.295 637 G CA 2.139 47.272 45.100 0.055 0.000 0.999 637 G HN 1.772 nan 8.290 nan 0.000 0.548 638 S N 0.492 116.231 115.700 0.066 0.000 2.660 638 S HA 0.124 4.594 4.470 0.001 0.000 0.223 638 S C 1.810 176.474 174.600 0.108 0.000 0.963 638 S CA 1.444 59.689 58.200 0.075 0.000 0.932 638 S CB 0.187 63.425 63.200 0.064 0.000 0.775 638 S HN 0.587 nan 8.310 nan 0.000 0.531 639 K N 0.445 120.927 120.400 0.138 0.000 2.103 639 K HA 0.238 4.558 4.320 0.001 0.000 0.204 639 K C 0.304 177.107 176.600 0.337 0.000 1.052 639 K CA 0.483 56.926 56.287 0.260 0.000 0.945 639 K CB -0.457 32.168 32.500 0.208 0.000 0.722 639 K HN 0.485 nan 8.250 nan 0.000 0.443 640 L N 0.622 121.964 121.223 0.198 0.000 2.493 640 L HA 0.355 4.696 4.340 0.001 0.000 0.265 640 L C -1.779 175.140 176.870 0.082 0.000 0.954 640 L CA -0.386 54.553 54.840 0.166 0.000 0.844 640 L CB 1.849 44.010 42.059 0.170 0.000 1.302 640 L HN -0.233 nan 8.230 nan 0.000 0.405 641 K N 3.941 124.362 120.400 0.036 0.000 2.427 641 K HA 0.770 5.090 4.320 0.001 0.000 0.252 641 K C -1.541 175.033 176.600 -0.044 0.000 0.931 641 K CA -0.626 55.657 56.287 -0.006 0.000 0.793 641 K CB 2.668 35.157 32.500 -0.019 0.000 1.211 641 K HN 0.391 nan 8.250 nan 0.000 0.426 642 V N 3.888 123.769 119.914 -0.056 0.000 2.540 642 V HA 0.526 4.647 4.120 0.001 0.000 0.302 642 V C -0.429 175.611 176.094 -0.089 0.000 1.035 642 V CA -0.905 61.349 62.300 -0.076 0.000 0.873 642 V CB 1.897 33.671 31.823 -0.081 0.000 0.992 642 V HN 0.537 nan 8.190 nan 0.000 0.428 643 I N 4.278 124.794 120.570 -0.091 0.000 2.533 643 I HA 0.387 4.558 4.170 0.001 0.000 0.290 643 I C -0.868 175.216 176.117 -0.055 0.000 1.056 643 I CA -0.548 60.696 61.300 -0.093 0.000 1.057 643 I CB 1.880 39.827 38.000 -0.088 0.000 1.240 643 I HN 0.608 nan 8.210 nan 0.000 0.423 644 F N 6.786 126.633 119.950 -0.173 0.000 2.350 644 F HA 0.373 4.900 4.527 0.001 0.000 0.365 644 F C 0.017 175.781 175.800 -0.060 0.000 1.122 644 F CA -0.440 57.487 58.000 -0.122 0.000 1.139 644 F CB 0.681 39.596 39.000 -0.141 0.000 1.220 644 F HN 0.325 nan 8.300 nan 0.000 0.499 645 L N 6.871 127.871 121.223 -0.372 0.000 2.565 645 L HA 0.114 4.455 4.340 0.001 0.000 0.275 645 L C 0.180 177.003 176.870 -0.079 0.000 1.137 645 L CA 0.137 54.914 54.840 -0.105 0.000 0.915 645 L CB 0.072 42.106 42.059 -0.042 0.000 1.232 645 L HN 0.659 nan 8.230 nan 0.000 0.473 646 E N 3.749 124.057 120.200 0.179 0.000 2.366 646 E HA -0.030 4.321 4.350 0.001 0.000 0.266 646 E C 0.523 177.280 176.600 0.261 0.000 1.051 646 E CA -0.246 56.325 56.400 0.286 0.000 0.884 646 E CB 0.434 30.340 29.700 0.343 0.000 1.006 646 E HN 0.532 nan 8.360 nan 0.000 0.417 647 N N 1.640 120.495 118.700 0.258 0.000 2.725 647 N HA -0.257 4.484 4.740 0.001 0.000 0.251 647 N C -1.357 174.261 175.510 0.180 0.000 1.031 647 N CA 0.409 53.579 53.050 0.200 0.000 0.720 647 N CB -1.445 37.156 38.487 0.190 0.000 0.930 647 N HN 0.448 nan 8.380 nan 0.000 0.543 648 Y N 1.511 121.844 120.300 0.055 0.000 2.721 648 Y HA 0.168 4.719 4.550 0.001 0.000 0.329 648 Y C 1.097 177.021 175.900 0.040 0.000 1.211 648 Y CA 0.536 58.652 58.100 0.027 0.000 1.512 648 Y CB 0.273 38.718 38.460 -0.025 0.000 1.249 648 Y HN 0.362 nan 8.280 nan 0.000 0.549 649 R N 2.513 122.690 120.500 -0.538 0.000 2.747 649 R HA 0.452 4.793 4.340 0.001 0.000 0.272 649 R C -0.337 175.637 176.300 -0.543 0.000 1.032 649 R CA -0.647 55.199 56.100 -0.423 0.000 0.896 649 R CB 0.368 30.603 30.300 -0.108 0.000 1.253 649 R HN 0.353 nan 8.270 nan 0.000 0.461 650 V N 1.098 120.704 119.914 -0.513 0.000 2.250 650 V HA -0.337 3.783 4.120 0.001 0.000 0.250 650 V C 2.550 178.509 176.094 -0.225 0.000 1.060 650 V CA 3.016 65.090 62.300 -0.376 0.000 1.030 650 V CB -0.871 30.704 31.823 -0.413 0.000 0.643 650 V HN 0.954 nan 8.190 nan 0.000 0.445 651 S N -0.616 114.968 115.700 -0.192 0.000 2.399 651 S HA -0.149 4.321 4.470 0.001 0.000 0.231 651 S C 1.992 176.520 174.600 -0.121 0.000 1.022 651 S CA 1.661 59.772 58.200 -0.149 0.000 0.983 651 S CB -0.509 62.634 63.200 -0.094 0.000 0.803 651 S HN 0.520 nan 8.310 nan 0.000 0.480 652 L N 0.702 121.858 121.223 -0.111 0.000 2.131 652 L HA 0.119 4.460 4.340 0.001 0.000 0.206 652 L C 2.941 179.794 176.870 -0.028 0.000 1.087 652 L CA 1.031 55.839 54.840 -0.053 0.000 0.767 652 L CB -0.775 41.312 42.059 0.047 0.000 0.917 652 L HN 0.480 nan 8.230 nan 0.000 0.441 653 A N 0.004 122.782 122.820 -0.070 0.000 1.940 653 A HA -0.250 4.070 4.320 0.001 0.000 0.219 653 A C 1.930 179.560 177.584 0.077 0.000 1.176 653 A CA 1.706 53.792 52.037 0.082 0.000 0.631 653 A CB -0.466 18.536 19.000 0.003 0.000 0.814 653 A HN 0.534 nan 8.150 nan 0.000 0.446 654 E N -0.373 119.856 120.200 0.048 0.000 2.265 654 E HA -0.177 4.173 4.350 0.001 0.000 0.196 654 E C 1.849 178.392 176.600 -0.094 0.000 0.996 654 E CA 1.231 57.609 56.400 -0.037 0.000 0.832 654 E CB -0.066 29.509 29.700 -0.207 0.000 0.756 654 E HN 0.632 nan 8.360 nan 0.000 0.491 655 K N 0.053 120.373 120.400 -0.133 0.000 2.141 655 K HA 0.031 4.351 4.320 0.001 0.000 0.202 655 K C 2.177 178.509 176.600 -0.446 0.000 1.045 655 K CA 0.404 56.583 56.287 -0.180 0.000 0.971 655 K CB -0.014 32.389 32.500 -0.162 0.000 0.795 655 K HN -0.050 nan 8.250 nan 0.000 0.459 656 V N 2.044 121.595 119.914 -0.605 0.000 2.453 656 V HA -0.157 3.964 4.120 0.001 0.000 0.247 656 V C 1.920 177.752 176.094 -0.437 0.000 1.048 656 V CA 1.302 63.005 62.300 -0.995 0.000 1.049 656 V CB -0.191 31.288 31.823 -0.574 0.000 0.672 656 V HN 0.243 nan 8.190 nan 0.000 0.457 657 I N 0.616 121.013 120.570 -0.288 0.000 2.127 657 I HA -0.152 4.019 4.170 0.001 0.000 0.241 657 I C -0.200 175.836 176.117 -0.136 0.000 1.075 657 I CA 1.822 62.924 61.300 -0.330 0.000 1.334 657 I CB -1.636 36.026 38.000 -0.564 0.000 1.040 657 I HN 0.351 nan 8.210 nan 0.000 0.405 658 P HA -0.136 nan 4.420 nan 0.000 0.223 658 P C 0.719 178.002 177.300 -0.028 0.000 1.144 658 P CA 1.276 64.345 63.100 -0.051 0.000 0.783 658 P CB 0.033 31.702 31.700 -0.052 0.000 0.771 659 A N -1.365 121.421 122.820 -0.057 0.000 2.387 659 A HA 0.184 4.505 4.320 0.001 0.000 0.234 659 A C 0.909 178.550 177.584 0.095 0.000 1.253 659 A CA 0.224 52.257 52.037 -0.008 0.000 0.894 659 A CB -0.817 18.204 19.000 0.035 0.000 0.963 659 A HN 0.230 nan 8.150 nan 0.000 0.508 660 T N -3.282 111.369 114.554 0.161 0.000 2.907 660 T HA 0.424 4.774 4.350 0.001 0.000 0.284 660 T C -0.051 174.793 174.700 0.240 0.000 1.004 660 T CA -0.364 61.894 62.100 0.263 0.000 1.063 660 T CB 1.551 70.630 68.868 0.352 0.000 0.992 660 T HN 0.111 nan 8.240 nan 0.000 0.483 661 D N 1.108 121.655 120.400 0.245 0.000 2.490 661 D HA 0.143 4.784 4.640 0.001 0.000 0.244 661 D C 0.388 176.977 176.300 0.480 0.000 0.979 661 D CA 0.313 54.552 54.000 0.398 0.000 0.924 661 D CB 0.501 41.390 40.800 0.149 0.000 1.075 661 D HN 0.432 nan 8.370 nan 0.000 0.488 662 L N 1.207 122.549 121.223 0.197 0.000 2.319 662 L HA 0.321 4.661 4.340 0.001 0.000 0.281 662 L C -0.697 176.071 176.870 -0.170 0.000 1.005 662 L CA -0.310 54.564 54.840 0.057 0.000 0.828 662 L CB 1.816 43.871 42.059 -0.007 0.000 1.227 662 L HN -0.212 nan 8.230 nan 0.000 0.415 663 S N 4.482 120.015 115.700 -0.277 0.000 2.438 663 S HA 0.316 4.787 4.470 0.001 0.000 0.293 663 S C -0.356 174.011 174.600 -0.389 0.000 1.141 663 S CA -0.679 57.128 58.200 -0.654 0.000 1.080 663 S CB 0.598 63.357 63.200 -0.734 0.000 0.978 663 S HN 0.639 nan 8.310 nan 0.000 0.479 664 E N 4.068 124.031 120.200 -0.396 0.000 2.089 664 E HA 0.203 4.553 4.350 0.001 0.000 0.284 664 E C -0.534 175.962 176.600 -0.174 0.000 1.023 664 E CA -0.387 55.897 56.400 -0.194 0.000 0.819 664 E CB 0.963 30.569 29.700 -0.157 0.000 1.076 664 E HN 0.595 nan 8.360 nan 0.000 0.396 665 Q N 2.776 122.527 119.800 -0.082 0.000 3.122 665 Q HA 0.247 4.587 4.340 0.001 0.000 0.282 665 Q C 0.587 176.564 176.000 -0.039 0.000 0.947 665 Q CA -0.110 55.647 55.803 -0.076 0.000 0.812 665 Q CB 0.252 28.946 28.738 -0.073 0.000 1.333 665 Q HN 0.627 nan 8.270 nan 0.000 0.430 666 I N -1.632 118.907 120.570 -0.052 0.000 3.805 666 I HA 0.259 4.430 4.170 0.001 0.000 0.337 666 I C 0.475 176.532 176.117 -0.099 0.000 1.539 666 I CA -0.600 60.678 61.300 -0.036 0.000 1.176 666 I CB 0.236 38.209 38.000 -0.046 0.000 1.248 666 I HN -0.000 nan 8.210 nan 0.000 0.437 667 S N 0.479 116.122 115.700 -0.095 0.000 2.576 667 S HA 0.164 4.635 4.470 0.001 0.000 0.272 667 S C 0.549 175.126 174.600 -0.038 0.000 1.352 667 S CA -0.289 57.877 58.200 -0.056 0.000 1.021 667 S CB 0.342 63.568 63.200 0.043 0.000 0.887 667 S HN 0.397 nan 8.310 nan 0.000 0.542 668 T N 2.533 117.101 114.554 0.023 0.000 2.888 668 T HA 0.440 4.790 4.350 0.001 0.000 0.301 668 T C 0.726 175.435 174.700 0.014 0.000 1.001 668 T CA 0.188 62.309 62.100 0.034 0.000 1.147 668 T CB 0.152 69.115 68.868 0.158 0.000 0.931 668 T HN 1.021 nan 8.240 nan 0.000 0.541 669 A N 2.725 125.523 122.820 -0.038 0.000 2.591 669 A HA 0.408 4.728 4.320 0.001 0.000 0.244 669 A C 1.673 179.252 177.584 -0.008 0.000 1.031 669 A CA 0.427 52.440 52.037 -0.041 0.000 0.767 669 A CB -0.989 17.977 19.000 -0.056 0.000 0.942 669 A HN 1.736 nan 8.150 nan 0.000 0.514 670 G N 1.462 110.258 108.800 -0.007 0.000 2.175 670 G HA2 -0.259 3.702 3.960 0.001 0.000 0.244 670 G HA3 -0.259 3.702 3.960 0.001 0.000 0.244 670 G C 0.948 175.841 174.900 -0.010 0.000 0.982 670 G CA 1.134 46.236 45.100 0.002 0.000 0.641 670 G HN 2.014 nan 8.290 nan 0.000 0.527 671 T N -2.610 111.929 114.554 -0.024 0.000 3.033 671 T HA 0.334 4.684 4.350 0.001 0.000 0.248 671 T C 0.676 175.204 174.700 -0.287 0.000 1.040 671 T CA 0.810 62.816 62.100 -0.156 0.000 1.133 671 T CB 0.402 69.221 68.868 -0.082 0.000 0.895 671 T HN 0.186 nan 8.240 nan 0.000 0.465 672 E N 1.683 121.847 120.200 -0.059 0.000 2.001 672 E HA 0.540 4.891 4.350 0.001 0.000 0.279 672 E C 1.129 177.679 176.600 -0.085 0.000 1.045 672 E CA -0.069 56.328 56.400 -0.005 0.000 0.833 672 E CB 1.314 31.064 29.700 0.082 0.000 1.077 672 E HN 0.457 nan 8.360 nan 0.000 0.397 673 A N 3.110 125.809 122.820 -0.201 0.000 1.927 673 A HA -0.247 4.074 4.320 0.001 0.000 0.220 673 A C 1.948 179.406 177.584 -0.209 0.000 1.185 673 A CA 2.632 54.414 52.037 -0.425 0.000 0.639 673 A CB 0.122 18.594 19.000 -0.881 0.000 0.820 673 A HN 0.561 nan 8.150 nan 0.000 0.451 674 S N -4.284 111.350 115.700 -0.110 0.000 4.428 674 S HA 0.444 4.915 4.470 0.001 0.000 0.199 674 S C 0.647 175.229 174.600 -0.032 0.000 1.156 674 S CA 1.347 59.525 58.200 -0.036 0.000 1.134 674 S CB -0.186 63.014 63.200 0.000 0.000 1.531 674 S HN 2.322 nan 8.310 nan 0.000 0.551 675 G N 0.334 109.119 108.800 -0.025 0.000 2.721 675 G HA2 -0.013 3.948 3.960 0.001 0.000 0.686 675 G HA3 -0.013 3.948 3.960 0.001 0.000 0.686 675 G C 0.225 175.088 174.900 -0.061 0.000 1.236 675 G CA 0.448 45.527 45.100 -0.034 0.000 0.786 675 G HN 1.366 nan 8.290 nan 0.000 0.616 676 T N -1.952 112.550 114.554 -0.087 0.000 3.051 676 T HA 0.374 4.725 4.350 0.001 0.000 0.254 676 T C 2.341 176.909 174.700 -0.220 0.000 0.916 676 T CA 1.230 63.242 62.100 -0.146 0.000 0.894 676 T CB 0.309 69.083 68.868 -0.157 0.000 1.251 676 T HN 1.868 nan 8.240 nan 0.000 0.517 677 G N 3.078 111.779 108.800 -0.165 0.000 2.422 677 G HA2 -0.234 3.727 3.960 0.001 0.000 0.218 677 G HA3 -0.234 3.727 3.960 0.001 0.000 0.218 677 G C 1.458 176.371 174.900 0.021 0.000 1.146 677 G CA 1.105 46.113 45.100 -0.152 0.000 0.769 677 G HN 0.823 nan 8.290 nan 0.000 0.547 678 N N 0.174 118.883 118.700 0.015 0.000 2.137 678 N HA -0.165 4.575 4.740 0.001 0.000 0.190 678 N C 2.194 177.665 175.510 -0.065 0.000 1.017 678 N CA 1.374 54.430 53.050 0.010 0.000 0.859 678 N CB -0.356 38.074 38.487 -0.094 0.000 1.002 678 N HN 0.347 nan 8.380 nan 0.000 0.428 679 M N 0.659 120.154 119.600 -0.175 0.000 2.200 679 M HA -0.008 4.473 4.480 0.001 0.000 0.265 679 M C 1.974 178.198 176.300 -0.127 0.000 1.066 679 M CA 1.356 56.536 55.300 -0.200 0.000 1.127 679 M CB -0.071 32.423 32.600 -0.177 0.000 1.379 679 M HN 0.115 nan 8.290 nan 0.000 0.420 680 K N 0.172 120.427 120.400 -0.240 0.000 2.057 680 K HA -0.087 4.234 4.320 0.001 0.000 0.207 680 K C 1.713 178.177 176.600 -0.226 0.000 1.049 680 K CA 1.393 57.482 56.287 -0.330 0.000 0.931 680 K CB -0.260 31.816 32.500 -0.708 0.000 0.714 680 K HN 0.169 nan 8.250 nan 0.000 0.440 681 F N 1.195 121.072 119.950 -0.122 0.000 2.134 681 F HA -0.166 4.362 4.527 0.001 0.000 0.299 681 F C 2.653 178.426 175.800 -0.045 0.000 1.097 681 F CA 1.147 59.104 58.000 -0.072 0.000 1.264 681 F CB -0.233 38.721 39.000 -0.078 0.000 1.001 681 F HN 0.005 nan 8.300 nan 0.000 0.479 682 M N -0.052 119.622 119.600 0.123 0.000 2.080 682 M HA -0.237 4.244 4.480 0.001 0.000 0.260 682 M C 2.230 178.566 176.300 0.059 0.000 1.068 682 M CA 1.730 57.067 55.300 0.063 0.000 1.109 682 M CB -0.387 32.218 32.600 0.009 0.000 1.342 682 M HN 0.280 nan 8.290 nan 0.000 0.405 683 L N 0.349 121.603 121.223 0.051 0.000 2.131 683 L HA -0.201 4.140 4.340 0.001 0.000 0.210 683 L C 1.166 178.060 176.870 0.041 0.000 1.092 683 L CA 1.201 56.074 54.840 0.056 0.000 0.759 683 L CB -0.444 41.657 42.059 0.071 0.000 0.903 683 L HN 0.451 nan 8.230 nan 0.000 0.435 684 N N -0.039 118.684 118.700 0.038 0.000 2.313 684 N HA 0.057 4.797 4.740 0.001 0.000 0.207 684 N C 0.905 176.447 175.510 0.052 0.000 1.141 684 N CA 0.849 53.919 53.050 0.033 0.000 0.830 684 N CB 0.747 39.237 38.487 0.005 0.000 1.008 684 N HN 0.440 nan 8.380 nan 0.000 0.481 685 G N 0.289 109.126 108.800 0.060 0.000 2.132 685 G HA2 -0.201 3.760 3.960 0.001 0.000 0.228 685 G HA3 -0.201 3.760 3.960 0.001 0.000 0.228 685 G C -0.004 174.970 174.900 0.123 0.000 1.000 685 G CA 0.107 45.249 45.100 0.070 0.000 0.693 685 G HN 0.531 nan 8.290 nan 0.000 0.515 686 A N -0.274 122.629 122.820 0.139 0.000 2.320 686 A HA 0.886 5.207 4.320 0.001 0.000 0.334 686 A C 0.288 177.896 177.584 0.041 0.000 1.147 686 A CA -0.638 51.501 52.037 0.170 0.000 0.820 686 A CB 1.093 20.247 19.000 0.258 0.000 1.218 686 A HN 0.687 nan 8.150 nan 0.000 0.482 687 L N 0.896 122.095 121.223 -0.040 0.000 2.379 687 L HA 0.449 4.789 4.340 0.001 0.000 0.269 687 L C 0.120 176.987 176.870 -0.005 0.000 1.084 687 L CA -0.372 54.397 54.840 -0.118 0.000 0.802 687 L CB 1.690 43.538 42.059 -0.352 0.000 1.175 687 L HN 0.706 nan 8.230 nan 0.000 0.448 688 T N 3.158 117.738 114.554 0.043 0.000 2.794 688 T HA 0.469 4.820 4.350 0.001 0.000 0.280 688 T C -0.397 174.392 174.700 0.149 0.000 0.987 688 T CA -0.245 61.879 62.100 0.040 0.000 0.993 688 T CB 1.534 70.406 68.868 0.007 0.000 0.939 688 T HN 0.362 nan 8.240 nan 0.000 0.449 689 I N 2.902 123.535 120.570 0.105 0.000 2.382 689 I HA 0.720 4.891 4.170 0.001 0.000 0.286 689 I C 0.023 176.318 176.117 0.296 0.000 1.002 689 I CA 0.059 61.494 61.300 0.226 0.000 1.135 689 I CB 0.358 38.400 38.000 0.070 0.000 1.288 689 I HN 0.801 nan 8.210 nan 0.000 0.448 690 G N 3.959 112.991 108.800 0.386 0.000 2.495 690 G HA2 0.430 4.391 3.960 0.001 0.000 0.294 690 G HA3 0.430 4.391 3.960 0.001 0.000 0.294 690 G C -0.915 173.823 174.900 -0.270 0.000 1.397 690 G CA -0.278 44.924 45.100 0.171 0.000 0.790 690 G HN 0.575 nan 8.290 nan 0.000 0.486 691 T N -1.660 112.621 114.554 -0.456 0.000 2.881 691 T HA 0.557 4.908 4.350 0.001 0.000 0.278 691 T C 0.627 175.177 174.700 -0.250 0.000 0.982 691 T CA -0.693 61.084 62.100 -0.538 0.000 0.989 691 T CB 1.159 69.743 68.868 -0.473 0.000 1.058 691 T HN 0.270 nan 8.240 nan 0.000 0.529 692 M N 2.871 122.352 119.600 -0.198 0.000 3.011 692 M HA 0.358 4.838 4.480 0.001 0.000 0.292 692 M C -0.540 175.709 176.300 -0.085 0.000 1.440 692 M CA -0.065 55.169 55.300 -0.109 0.000 1.552 692 M CB -1.587 30.964 32.600 -0.081 0.000 1.187 692 M HN 0.744 nan 8.290 nan 0.000 0.520 693 D N 0.318 120.671 120.400 -0.078 0.000 2.732 693 D HA 0.667 5.307 4.640 0.001 0.000 0.229 693 D C 0.631 176.912 176.300 -0.033 0.000 1.152 693 D CA 0.699 54.669 54.000 -0.050 0.000 0.854 693 D CB 1.765 42.531 40.800 -0.057 0.000 1.590 693 D HN 0.630 nan 8.370 nan 0.000 0.468 694 G N 1.630 110.425 108.800 -0.009 0.000 2.602 694 G HA2 -0.243 3.717 3.960 0.001 0.000 0.306 694 G HA3 -0.243 3.717 3.960 0.001 0.000 0.306 694 G C 1.057 175.958 174.900 0.002 0.000 1.301 694 G CA 1.118 46.217 45.100 -0.000 0.000 0.974 694 G HN 1.086 nan 8.290 nan 0.000 0.547 695 A N -0.412 122.398 122.820 -0.016 0.000 2.216 695 A HA 0.063 4.384 4.320 0.001 0.000 0.214 695 A C 2.112 179.637 177.584 -0.097 0.000 1.160 695 A CA 1.954 53.974 52.037 -0.027 0.000 0.725 695 A CB -0.482 18.473 19.000 -0.075 0.000 0.784 695 A HN 0.622 nan 8.150 nan 0.000 0.472 696 N N 0.322 118.968 118.700 -0.089 0.000 2.149 696 N HA -0.142 4.598 4.740 0.001 0.000 0.188 696 N C 1.570 177.050 175.510 -0.050 0.000 1.019 696 N CA 1.554 54.548 53.050 -0.093 0.000 0.857 696 N CB -0.531 37.908 38.487 -0.080 0.000 0.997 696 N HN 0.274 nan 8.380 nan 0.000 0.426 697 V N 1.237 121.139 119.914 -0.020 0.000 2.287 697 V HA -0.218 3.903 4.120 0.001 0.000 0.248 697 V C 1.882 178.007 176.094 0.050 0.000 1.053 697 V CA 1.691 63.995 62.300 0.007 0.000 1.027 697 V CB -0.487 31.344 31.823 0.013 0.000 0.646 697 V HN 0.379 nan 8.190 nan 0.000 0.447 698 E N -0.653 119.606 120.200 0.100 0.000 2.208 698 E HA -0.136 4.214 4.350 0.001 0.000 0.193 698 E C 2.181 178.981 176.600 0.334 0.000 0.988 698 E CA 0.981 57.511 56.400 0.218 0.000 0.828 698 E CB -0.178 29.715 29.700 0.321 0.000 0.763 698 E HN 0.551 nan 8.360 nan 0.000 0.478 699 M N 0.400 120.096 119.600 0.160 0.000 2.175 699 M HA -0.119 4.362 4.480 0.001 0.000 0.264 699 M C 2.447 178.814 176.300 0.111 0.000 1.063 699 M CA 1.334 56.696 55.300 0.103 0.000 1.119 699 M CB -0.108 32.385 32.600 -0.178 0.000 1.377 699 M HN 0.143 nan 8.290 nan 0.000 0.415 700 A N 0.445 123.297 122.820 0.054 0.000 1.902 700 A HA -0.179 4.142 4.320 0.001 0.000 0.217 700 A C 1.909 179.522 177.584 0.048 0.000 1.181 700 A CA 1.710 53.765 52.037 0.030 0.000 0.623 700 A CB -0.680 18.323 19.000 0.005 0.000 0.818 700 A HN 0.536 nan 8.150 nan 0.000 0.443 701 E N -0.292 119.949 120.200 0.069 0.000 2.058 701 E HA -0.201 4.150 4.350 0.001 0.000 0.194 701 E C 1.992 178.632 176.600 0.067 0.000 0.997 701 E CA 1.239 57.674 56.400 0.059 0.000 0.801 701 E CB -0.194 29.544 29.700 0.063 0.000 0.746 701 E HN 0.545 nan 8.360 nan 0.000 0.450 702 E N 0.547 120.815 120.200 0.114 0.000 2.028 702 E HA -0.129 4.222 4.350 0.001 0.000 0.191 702 E C 1.915 178.575 176.600 0.101 0.000 0.988 702 E CA 1.275 57.738 56.400 0.105 0.000 0.799 702 E CB -0.218 29.581 29.700 0.165 0.000 0.755 702 E HN 0.249 nan 8.360 nan 0.000 0.447 703 A N 0.126 123.010 122.820 0.108 0.000 2.195 703 A HA 0.393 4.714 4.320 0.001 0.000 0.210 703 A C 0.939 178.547 177.584 0.040 0.000 1.165 703 A CA 0.925 53.014 52.037 0.086 0.000 0.806 703 A CB 0.109 19.154 19.000 0.074 0.000 0.847 703 A HN 0.247 nan 8.150 nan 0.000 0.482 704 G N -0.379 108.435 108.800 0.024 0.000 3.209 704 G HA2 -0.127 3.834 3.960 0.001 0.000 0.686 704 G HA3 -0.127 3.834 3.960 0.001 0.000 0.686 704 G C 0.093 174.977 174.900 -0.026 0.000 1.065 704 G CA 0.138 45.234 45.100 -0.006 0.000 0.812 704 G HN 0.305 nan 8.290 nan 0.000 0.573 705 E N 0.669 120.851 120.200 -0.029 0.000 2.219 705 E HA -0.232 4.118 4.350 0.001 0.000 0.198 705 E C 2.354 178.902 176.600 -0.087 0.000 0.998 705 E CA 1.670 58.043 56.400 -0.045 0.000 0.818 705 E CB 0.121 29.800 29.700 -0.034 0.000 0.741 705 E HN 0.706 nan 8.360 nan 0.000 0.477 706 E N 0.120 120.262 120.200 -0.096 0.000 2.347 706 E HA -0.154 4.197 4.350 0.001 0.000 0.196 706 E C 0.844 177.312 176.600 -0.219 0.000 1.008 706 E CA 0.617 56.929 56.400 -0.147 0.000 0.852 706 E CB -0.194 29.440 29.700 -0.110 0.000 0.783 706 E HN 0.255 nan 8.360 nan 0.000 0.505 707 N N 0.690 119.290 118.700 -0.166 0.000 2.322 707 N HA 0.165 4.906 4.740 0.001 0.000 0.194 707 N C -0.042 175.351 175.510 -0.194 0.000 1.126 707 N CA 0.217 53.158 53.050 -0.181 0.000 0.845 707 N CB 0.888 39.320 38.487 -0.091 0.000 0.976 707 N HN 0.179 nan 8.380 nan 0.000 0.475 708 L N 0.055 121.158 121.223 -0.200 0.000 2.370 708 L HA 0.441 4.781 4.340 0.001 0.000 0.266 708 L C -0.673 176.094 176.870 -0.172 0.000 1.002 708 L CA -0.738 54.040 54.840 -0.103 0.000 0.818 708 L CB 1.538 43.579 42.059 -0.030 0.000 1.325 708 L HN -0.152 nan 8.230 nan 0.000 0.418 709 F N 3.047 123.001 119.950 0.006 0.000 2.541 709 F HA 0.277 4.804 4.527 0.001 0.000 0.351 709 F C 0.617 176.509 175.800 0.154 0.000 1.209 709 F CA -0.325 57.711 58.000 0.059 0.000 1.277 709 F CB 0.078 39.104 39.000 0.043 0.000 1.632 709 F HN 0.131 nan 8.300 nan 0.000 0.619 710 I N 3.185 123.867 120.570 0.186 0.000 2.662 710 I HA 0.316 4.486 4.170 0.001 0.000 0.291 710 I C 0.074 176.343 176.117 0.252 0.000 1.046 710 I CA -0.461 60.923 61.300 0.140 0.000 1.361 710 I CB 0.409 38.416 38.000 0.013 0.000 1.429 710 I HN 0.393 nan 8.210 nan 0.000 0.558 711 F N 1.181 121.167 119.950 0.059 0.000 2.926 711 F HA 0.728 5.256 4.527 0.001 0.000 0.321 711 F C -0.063 175.768 175.800 0.052 0.000 1.168 711 F CA -0.356 57.684 58.000 0.066 0.000 0.890 711 F CB 0.746 39.807 39.000 0.102 0.000 1.357 711 F HN 0.853 nan 8.300 nan 0.000 0.468 712 G N 0.905 109.796 108.800 0.151 0.000 2.796 712 G HA2 -0.082 3.878 3.960 0.001 0.000 0.226 712 G HA3 -0.082 3.878 3.960 0.001 0.000 0.226 712 G C -0.738 174.137 174.900 -0.042 0.000 1.381 712 G CA -0.446 44.676 45.100 0.036 0.000 0.867 712 G HN 0.972 nan 8.290 nan 0.000 0.552 713 M N 0.269 119.855 119.600 -0.024 0.000 2.232 713 M HA 0.385 4.865 4.480 0.001 0.000 0.321 713 M C 1.252 177.515 176.300 -0.061 0.000 1.101 713 M CA 0.429 55.718 55.300 -0.019 0.000 1.181 713 M CB 0.431 33.029 32.600 -0.003 0.000 1.432 713 M HN 0.577 nan 8.290 nan 0.000 0.457 714 R N 0.875 121.353 120.500 -0.037 0.000 2.856 714 R HA 0.455 4.795 4.340 0.001 0.000 0.258 714 R C 1.358 177.642 176.300 -0.028 0.000 1.066 714 R CA -0.734 55.341 56.100 -0.043 0.000 1.045 714 R CB 0.941 31.222 30.300 -0.032 0.000 1.178 714 R HN 0.835 nan 8.270 nan 0.000 0.499 715 I N -0.634 119.920 120.570 -0.026 0.000 2.143 715 I HA -0.363 3.807 4.170 0.001 0.000 0.245 715 I C 1.695 177.805 176.117 -0.012 0.000 1.068 715 I CA 2.146 63.435 61.300 -0.018 0.000 1.326 715 I CB -0.671 37.319 38.000 -0.015 0.000 1.028 715 I HN 0.659 nan 8.210 nan 0.000 0.412 716 D N 0.951 121.346 120.400 -0.008 0.000 2.219 716 D HA -0.226 4.414 4.640 0.001 0.000 0.205 716 D C 1.492 177.795 176.300 0.005 0.000 0.970 716 D CA 1.497 55.495 54.000 -0.002 0.000 0.851 716 D CB -0.599 40.200 40.800 -0.001 0.000 0.943 716 D HN 0.453 nan 8.370 nan 0.000 0.488 717 D N 0.803 121.207 120.400 0.007 0.000 2.117 717 D HA -0.095 4.546 4.640 0.001 0.000 0.198 717 D C 2.384 178.696 176.300 0.019 0.000 0.982 717 D CA 0.671 54.683 54.000 0.020 0.000 0.828 717 D CB -0.271 40.542 40.800 0.021 0.000 0.967 717 D HN 0.150 nan 8.370 nan 0.000 0.464 718 V N 1.420 121.334 119.914 0.000 0.000 2.407 718 V HA -0.225 3.895 4.120 0.001 0.000 0.248 718 V C 2.498 178.589 176.094 -0.005 0.000 1.055 718 V CA 1.706 63.998 62.300 -0.014 0.000 1.049 718 V CB -0.770 31.037 31.823 -0.028 0.000 0.662 718 V HN 0.178 nan 8.190 nan 0.000 0.455 719 A N 0.118 122.937 122.820 -0.002 0.000 1.877 719 A HA -0.139 4.182 4.320 0.001 0.000 0.216 719 A C 2.442 180.036 177.584 0.015 0.000 1.186 719 A CA 2.136 54.174 52.037 0.001 0.000 0.620 719 A CB -0.830 18.169 19.000 -0.002 0.000 0.822 719 A HN 0.571 nan 8.150 nan 0.000 0.443 720 A N -0.770 122.064 122.820 0.024 0.000 1.933 720 A HA -0.031 4.289 4.320 0.001 0.000 0.218 720 A C 2.106 179.723 177.584 0.055 0.000 1.175 720 A CA 1.756 53.815 52.037 0.036 0.000 0.628 720 A CB -0.539 18.484 19.000 0.039 0.000 0.814 720 A HN 0.640 nan 8.150 nan 0.000 0.444 721 L N -0.019 121.244 121.223 0.066 0.000 2.093 721 L HA -0.102 4.239 4.340 0.001 0.000 0.208 721 L C 1.556 178.487 176.870 0.101 0.000 1.085 721 L CA 2.157 57.062 54.840 0.108 0.000 0.755 721 L CB -0.661 41.472 42.059 0.124 0.000 0.904 721 L HN 0.332 nan 8.230 nan 0.000 0.435 722 D N -0.485 119.948 120.400 0.054 0.000 2.117 722 D HA -0.198 4.443 4.640 0.001 0.000 0.198 722 D C 2.025 178.354 176.300 0.048 0.000 0.982 722 D CA 1.011 55.038 54.000 0.044 0.000 0.828 722 D CB 0.163 40.968 40.800 0.009 0.000 0.967 722 D HN 0.197 nan 8.370 nan 0.000 0.464 723 K N 1.850 122.274 120.400 0.040 0.000 1.977 723 K HA -0.188 4.133 4.320 0.001 0.000 0.218 723 K C 1.894 178.521 176.600 0.045 0.000 1.051 723 K CA 1.591 57.899 56.287 0.035 0.000 0.953 723 K CB -0.316 32.203 32.500 0.031 0.000 0.727 723 K HN -0.068 nan 8.250 nan 0.000 0.445 724 K N -0.602 119.832 120.400 0.057 0.000 2.281 724 K HA -0.063 4.257 4.320 0.001 0.000 0.203 724 K C -0.255 176.389 176.600 0.072 0.000 1.046 724 K CA 1.069 57.393 56.287 0.061 0.000 0.938 724 K CB -0.314 32.229 32.500 0.072 0.000 0.737 724 K HN 0.453 nan 8.250 nan 0.000 0.458 725 G N 0.388 109.242 108.800 0.091 0.000 3.190 725 G HA2 -0.268 3.693 3.960 0.001 0.000 0.686 725 G HA3 -0.268 3.693 3.960 0.001 0.000 0.686 725 G C -1.294 173.704 174.900 0.164 0.000 1.033 725 G CA -0.282 44.881 45.100 0.105 0.000 0.797 725 G HN 0.293 nan 8.290 nan 0.000 0.567 726 Y N 1.980 122.306 120.300 0.044 0.000 2.393 726 Y HA 0.581 5.132 4.550 0.001 0.000 0.338 726 Y C 0.415 176.362 175.900 0.078 0.000 1.029 726 Y CA -0.852 57.290 58.100 0.070 0.000 1.239 726 Y CB 1.591 40.066 38.460 0.026 0.000 1.170 726 Y HN 0.636 nan 8.280 nan 0.000 0.515 727 E N 5.150 125.160 120.200 -0.317 0.000 2.376 727 E HA 0.479 4.829 4.350 0.001 0.000 0.236 727 E C 0.504 176.854 176.600 -0.417 0.000 0.962 727 E CA 0.193 56.416 56.400 -0.295 0.000 0.768 727 E CB 0.503 30.152 29.700 -0.085 0.000 1.236 727 E HN 0.794 nan 8.360 nan 0.000 0.431 728 A N 5.142 127.526 122.820 -0.728 0.000 1.903 728 A HA -0.319 4.002 4.320 0.001 0.000 0.219 728 A C 1.830 179.526 177.584 0.186 0.000 1.191 728 A CA 2.221 54.026 52.037 -0.387 0.000 0.638 728 A CB -0.551 18.154 19.000 -0.491 0.000 0.823 728 A HN 0.693 nan 8.150 nan 0.000 0.451 729 K N -0.557 119.961 120.400 0.196 0.000 2.228 729 K HA -0.258 4.063 4.320 0.001 0.000 0.205 729 K C 1.582 178.360 176.600 0.296 0.000 1.045 729 K CA 1.787 58.322 56.287 0.412 0.000 0.931 729 K CB -0.290 32.377 32.500 0.279 0.000 0.727 729 K HN 0.400 nan 8.250 nan 0.000 0.458 730 E N 0.886 121.162 120.200 0.126 0.000 2.033 730 E HA -0.201 4.150 4.350 0.001 0.000 0.199 730 E C 1.801 178.347 176.600 -0.089 0.000 1.011 730 E CA 2.044 58.409 56.400 -0.058 0.000 0.815 730 E CB -0.357 29.176 29.700 -0.278 0.000 0.755 730 E HN 0.525 nan 8.360 nan 0.000 0.451 731 Y N -1.311 119.035 120.300 0.077 0.000 2.242 731 Y HA -0.187 4.363 4.550 0.001 0.000 0.291 731 Y C 2.188 178.042 175.900 -0.078 0.000 1.137 731 Y CA 1.282 59.401 58.100 0.031 0.000 1.181 731 Y CB -0.841 37.673 38.460 0.089 0.000 0.989 731 Y HN 0.219 nan 8.280 nan 0.000 0.527 732 Y N 1.278 121.562 120.300 -0.027 0.000 2.165 732 Y HA -0.270 4.281 4.550 0.001 0.000 0.286 732 Y C 2.086 177.969 175.900 -0.028 0.000 1.155 732 Y CA 1.907 59.931 58.100 -0.126 0.000 1.164 732 Y CB -0.378 38.165 38.460 0.139 0.000 0.978 732 Y HN 0.117 nan 8.280 nan 0.000 0.513 733 E N -0.017 120.114 120.200 -0.115 0.000 2.028 733 E HA -0.027 4.324 4.350 0.001 0.000 0.190 733 E C 2.306 178.803 176.600 -0.172 0.000 0.984 733 E CA 1.334 57.614 56.400 -0.200 0.000 0.800 733 E CB -0.528 29.148 29.700 -0.039 0.000 0.758 733 E HN 0.465 nan 8.360 nan 0.000 0.448 734 A N 0.059 122.816 122.820 -0.104 0.000 2.172 734 A HA 0.014 4.335 4.320 0.001 0.000 0.216 734 A C 0.577 178.130 177.584 -0.051 0.000 1.154 734 A CA 0.601 52.592 52.037 -0.077 0.000 0.701 734 A CB -0.219 18.733 19.000 -0.080 0.000 0.789 734 A HN 0.161 nan 8.150 nan 0.000 0.465 735 L N 0.688 121.871 121.223 -0.066 0.000 2.356 735 L HA 0.256 4.597 4.340 0.001 0.000 0.264 735 L C -1.564 175.250 176.870 -0.094 0.000 1.029 735 L CA -1.900 52.928 54.840 -0.020 0.000 0.897 735 L CB 1.603 43.706 42.059 0.073 0.000 1.256 735 L HN 0.071 nan 8.230 nan 0.000 0.444 736 P HA -0.229 nan 4.420 nan 0.000 0.216 736 P C 0.892 178.149 177.300 -0.071 0.000 1.154 736 P CA 1.544 64.587 63.100 -0.095 0.000 0.865 736 P CB 0.485 32.148 31.700 -0.062 0.000 0.789 737 E N -0.688 119.513 120.200 0.001 0.000 2.110 737 E HA -0.151 4.199 4.350 0.001 0.000 0.193 737 E C 2.156 178.748 176.600 -0.014 0.000 0.988 737 E CA 0.630 57.056 56.400 0.043 0.000 0.804 737 E CB -0.562 29.228 29.700 0.150 0.000 0.745 737 E HN 0.146 nan 8.360 nan 0.000 0.458 738 L N 1.933 123.073 121.223 -0.138 0.000 2.005 738 L HA -0.161 4.179 4.340 0.001 0.000 0.207 738 L C 2.326 179.034 176.870 -0.271 0.000 1.072 738 L CA 1.923 56.458 54.840 -0.508 0.000 0.744 738 L CB -0.458 41.139 42.059 -0.769 0.000 0.895 738 L HN -0.106 nan 8.230 nan 0.000 0.433 739 K N -0.731 119.529 120.400 -0.233 0.000 2.044 739 K HA -0.262 4.058 4.320 0.001 0.000 0.210 739 K C 2.173 178.787 176.600 0.024 0.000 1.049 739 K CA 2.163 58.336 56.287 -0.190 0.000 0.927 739 K CB -0.475 31.712 32.500 -0.521 0.000 0.713 739 K HN 0.328 nan 8.250 nan 0.000 0.443 740 L N 1.162 122.357 121.223 -0.047 0.000 1.970 740 L HA -0.182 4.158 4.340 0.001 0.000 0.212 740 L C 2.142 179.024 176.870 0.020 0.000 1.071 740 L CA 1.600 56.425 54.840 -0.026 0.000 0.751 740 L CB -0.760 41.262 42.059 -0.062 0.000 0.889 740 L HN 0.086 nan 8.230 nan 0.000 0.432 741 V N 0.193 120.119 119.914 0.021 0.000 2.250 741 V HA -0.380 3.740 4.120 0.001 0.000 0.250 741 V C 2.573 178.750 176.094 0.139 0.000 1.060 741 V CA 2.179 64.529 62.300 0.083 0.000 1.030 741 V CB -0.750 31.084 31.823 0.017 0.000 0.643 741 V HN 0.442 nan 8.190 nan 0.000 0.445 742 I N 0.083 120.728 120.570 0.125 0.000 2.179 742 I HA -0.203 3.967 4.170 0.001 0.000 0.242 742 I C 2.365 178.623 176.117 0.236 0.000 1.088 742 I CA 1.736 63.164 61.300 0.214 0.000 1.357 742 I CB -1.524 36.651 38.000 0.291 0.000 1.051 742 I HN 0.382 nan 8.210 nan 0.000 0.409 743 D N 0.682 121.222 120.400 0.233 0.000 2.104 743 D HA -0.212 4.428 4.640 0.001 0.000 0.194 743 D C 2.235 178.619 176.300 0.141 0.000 0.994 743 D CA 1.203 55.309 54.000 0.177 0.000 0.830 743 D CB -0.272 40.610 40.800 0.136 0.000 0.959 743 D HN 0.490 nan 8.370 nan 0.000 0.452 744 Q N 0.268 120.131 119.800 0.105 0.000 2.030 744 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 744 Q C 2.656 178.825 176.000 0.281 0.000 0.986 744 Q CA 1.351 57.201 55.803 0.079 0.000 0.843 744 Q CB -0.317 28.369 28.738 -0.086 0.000 0.904 744 Q HN 0.505 nan 8.270 nan 0.000 0.420 745 I N -1.490 119.321 120.570 0.403 0.000 2.394 745 I HA -0.174 3.997 4.170 0.001 0.000 0.251 745 I C 1.990 178.347 176.117 0.399 0.000 1.136 745 I CA 1.562 63.145 61.300 0.472 0.000 1.425 745 I CB -0.413 37.746 38.000 0.265 0.000 1.079 745 I HN 0.103 nan 8.210 nan 0.000 0.425 746 D N 1.504 122.077 120.400 0.288 0.000 2.234 746 D HA -0.138 4.503 4.640 0.001 0.000 0.205 746 D C 1.637 178.048 176.300 0.184 0.000 0.962 746 D CA 0.882 55.023 54.000 0.234 0.000 0.855 746 D CB 0.054 40.963 40.800 0.181 0.000 0.951 746 D HN 0.382 nan 8.370 nan 0.000 0.500 747 N N -0.266 118.539 118.700 0.175 0.000 2.300 747 N HA 0.034 4.775 4.740 0.001 0.000 0.179 747 N C 1.338 176.927 175.510 0.132 0.000 1.016 747 N CA 1.529 54.658 53.050 0.132 0.000 0.876 747 N CB 0.224 38.781 38.487 0.115 0.000 0.979 747 N HN 0.312 nan 8.380 nan 0.000 0.432 748 G N -1.168 107.741 108.800 0.182 0.000 2.183 748 G HA2 -0.248 3.712 3.960 0.001 0.000 0.168 748 G HA3 -0.248 3.712 3.960 0.001 0.000 0.168 748 G C 0.647 175.609 174.900 0.105 0.000 1.008 748 G CA 0.024 45.212 45.100 0.146 0.000 0.677 748 G HN 0.290 nan 8.290 nan 0.000 0.498 749 F N 0.870 120.781 119.950 -0.066 0.000 2.192 749 F HA 0.147 4.675 4.527 0.001 0.000 0.301 749 F C 1.643 177.217 175.800 -0.377 0.000 1.079 749 F CA 1.804 59.636 58.000 -0.281 0.000 1.303 749 F CB -0.060 38.645 39.000 -0.493 0.000 1.024 749 F HN 0.145 nan 8.300 nan 0.000 0.494 750 F N -0.193 119.816 119.950 0.099 0.000 2.641 750 F HA 0.234 4.762 4.527 0.001 0.000 0.302 750 F C 0.621 176.478 175.800 0.094 0.000 1.098 750 F CA 0.240 58.253 58.000 0.021 0.000 1.318 750 F CB -0.271 38.792 39.000 0.106 0.000 1.035 750 F HN 0.022 nan 8.300 nan 0.000 0.551 751 S N -1.555 114.240 115.700 0.159 0.000 2.730 751 S HA 0.183 4.654 4.470 0.001 0.000 0.150 751 S C -2.179 172.418 174.600 -0.005 0.000 1.139 751 S CA -0.764 57.472 58.200 0.060 0.000 1.155 751 S CB 0.419 63.611 63.200 -0.012 0.000 1.682 751 S HN -0.095 nan 8.310 nan 0.000 0.452 752 P HA -0.159 nan 4.420 nan 0.000 0.216 752 P C 0.943 178.226 177.300 -0.027 0.000 1.153 752 P CA 1.414 64.488 63.100 -0.044 0.000 0.858 752 P CB 0.018 31.671 31.700 -0.079 0.000 0.789 753 K N -0.486 119.897 120.400 -0.028 0.000 2.515 753 K HA -0.058 4.263 4.320 0.001 0.000 0.196 753 K C 1.275 177.864 176.600 -0.018 0.000 1.038 753 K CA 0.616 56.892 56.287 -0.019 0.000 0.967 753 K CB -0.211 32.281 32.500 -0.013 0.000 0.780 753 K HN 0.384 nan 8.250 nan 0.000 0.483 754 Q N -0.567 119.217 119.800 -0.028 0.000 3.853 754 Q HA 0.130 4.471 4.340 0.001 0.000 0.220 754 Q C -2.383 173.585 176.000 -0.052 0.000 0.826 754 Q CA -1.031 54.749 55.803 -0.038 0.000 0.821 754 Q CB 1.192 29.903 28.738 -0.045 0.000 1.546 754 Q HN -0.148 nan 8.270 nan 0.000 0.410 755 P HA -0.212 nan 4.420 nan 0.000 0.218 755 P C 0.352 177.665 177.300 0.022 0.000 1.150 755 P CA 1.695 64.805 63.100 0.015 0.000 0.841 755 P CB 0.210 31.924 31.700 0.024 0.000 0.784 756 D N -2.279 118.118 120.400 -0.005 0.000 2.340 756 D HA -0.006 4.635 4.640 0.001 0.000 0.217 756 D C 1.578 177.856 176.300 -0.036 0.000 1.081 756 D CA -0.247 53.758 54.000 0.009 0.000 0.842 756 D CB -1.026 39.784 40.800 0.017 0.000 0.934 756 D HN 0.006 nan 8.370 nan 0.000 0.511 757 L N 0.105 121.230 121.223 -0.164 0.000 1.997 757 L HA -0.147 4.193 4.340 0.001 0.000 0.216 757 L C 1.048 177.712 176.870 -0.344 0.000 1.074 757 L CA 1.713 56.344 54.840 -0.348 0.000 0.763 757 L CB -0.699 40.919 42.059 -0.735 0.000 0.890 757 L HN -0.028 nan 8.230 nan 0.000 0.434 758 F N -0.421 119.580 119.950 0.085 0.000 2.696 758 F HA 0.148 4.676 4.527 0.001 0.000 0.296 758 F C 1.861 177.720 175.800 0.098 0.000 1.181 758 F CA 0.011 58.055 58.000 0.073 0.000 1.411 758 F CB -0.967 38.070 39.000 0.061 0.000 1.014 758 F HN 0.093 nan 8.300 nan 0.000 0.512 759 K N 1.265 121.780 120.400 0.191 0.000 2.032 759 K HA -0.202 4.118 4.320 0.001 0.000 0.209 759 K C 1.464 178.179 176.600 0.192 0.000 1.048 759 K CA 2.043 58.434 56.287 0.172 0.000 0.927 759 K CB -0.431 32.138 32.500 0.115 0.000 0.712 759 K HN 0.080 nan 8.250 nan 0.000 0.441 760 D N 0.275 120.790 120.400 0.191 0.000 2.149 760 D HA -0.157 4.484 4.640 0.001 0.000 0.198 760 D C 1.969 178.375 176.300 0.178 0.000 0.990 760 D CA 1.537 55.652 54.000 0.192 0.000 0.839 760 D CB -0.158 40.794 40.800 0.254 0.000 0.948 760 D HN 0.346 nan 8.370 nan 0.000 0.460 761 I N 0.622 121.299 120.570 0.178 0.000 2.202 761 I HA -0.211 3.960 4.170 0.001 0.000 0.242 761 I C 2.224 178.440 176.117 0.164 0.000 1.091 761 I CA 0.476 61.856 61.300 0.134 0.000 1.368 761 I CB -0.136 37.927 38.000 0.104 0.000 1.058 761 I HN -0.023 nan 8.210 nan 0.000 0.410 762 I N 1.096 121.805 120.570 0.232 0.000 2.127 762 I HA -0.329 3.842 4.170 0.001 0.000 0.241 762 I C 2.362 178.713 176.117 0.391 0.000 1.075 762 I CA 1.890 63.382 61.300 0.320 0.000 1.334 762 I CB -1.682 36.505 38.000 0.311 0.000 1.040 762 I HN 0.350 nan 8.210 nan 0.000 0.405 763 N N 0.768 119.679 118.700 0.351 0.000 2.069 763 N HA -0.233 4.507 4.740 0.001 0.000 0.191 763 N C 1.926 177.738 175.510 0.505 0.000 1.031 763 N CA 1.535 54.868 53.050 0.471 0.000 0.852 763 N CB -0.240 38.439 38.487 0.321 0.000 1.018 763 N HN 0.177 nan 8.380 nan 0.000 0.423 764 M N -0.135 119.654 119.600 0.315 0.000 2.080 764 M HA -0.108 4.373 4.480 0.001 0.000 0.260 764 M C 1.593 177.979 176.300 0.144 0.000 1.068 764 M CA 1.406 56.867 55.300 0.269 0.000 1.109 764 M CB -0.799 31.897 32.600 0.160 0.000 1.342 764 M HN 0.277 nan 8.290 nan 0.000 0.405 765 L N 0.095 121.313 121.223 -0.008 0.000 2.131 765 L HA -0.134 4.207 4.340 0.001 0.000 0.210 765 L C 1.994 178.514 176.870 -0.583 0.000 1.092 765 L CA 1.777 56.390 54.840 -0.378 0.000 0.759 765 L CB -1.065 40.708 42.059 -0.477 0.000 0.903 765 L HN 0.233 nan 8.230 nan 0.000 0.435 766 F N -2.865 116.934 119.950 -0.252 0.000 2.446 766 F HA -0.045 4.483 4.527 0.001 0.000 0.292 766 F C 1.416 176.798 175.800 -0.698 0.000 1.096 766 F CA 0.854 58.547 58.000 -0.512 0.000 1.438 766 F CB -0.014 38.563 39.000 -0.704 0.000 1.107 766 F HN 0.032 nan 8.300 nan 0.000 0.546 767 Y N -3.442 116.938 120.300 0.134 0.000 2.448 767 Y HA 0.219 4.770 4.550 0.001 0.000 0.257 767 Y C 0.226 175.830 175.900 -0.493 0.000 1.089 767 Y CA -0.158 57.850 58.100 -0.155 0.000 1.245 767 Y CB -0.024 38.310 38.460 -0.210 0.000 1.282 767 Y HN -0.014 nan 8.280 nan 0.000 0.529 768 H N -1.503 117.675 119.070 0.180 0.000 2.885 768 H HA 0.192 4.748 4.556 0.001 0.000 0.237 768 H C -0.934 174.421 175.328 0.046 0.000 1.229 768 H CA -0.818 55.300 56.048 0.116 0.000 0.947 768 H CB 0.292 30.129 29.762 0.125 0.000 2.223 768 H HN -0.055 nan 8.280 nan 0.000 0.628 769 D N 1.250 121.705 120.400 0.092 0.000 2.453 769 D HA 0.087 4.728 4.640 0.001 0.000 0.223 769 D C 0.883 177.094 176.300 -0.149 0.000 1.183 769 D CA -0.215 53.783 54.000 -0.003 0.000 0.933 769 D CB 0.435 41.199 40.800 -0.060 0.000 1.038 769 D HN 0.320 nan 8.370 nan 0.000 0.513 770 R N 1.949 122.252 120.500 -0.329 0.000 2.285 770 R HA -0.046 4.295 4.340 0.001 0.000 0.213 770 R C 0.525 176.316 176.300 -0.848 0.000 1.068 770 R CA 0.792 56.519 56.100 -0.622 0.000 1.004 770 R CB 0.052 29.840 30.300 -0.853 0.000 0.873 770 R HN 0.353 nan 8.270 nan 0.000 0.467 771 F N 1.203 121.105 119.950 -0.081 0.000 2.708 771 F HA 0.232 4.760 4.527 0.001 0.000 0.300 771 F C 0.033 175.695 175.800 -0.230 0.000 1.118 771 F CA -0.985 56.952 58.000 -0.104 0.000 1.307 771 F CB 0.276 39.276 39.000 0.000 0.000 0.986 771 F HN -0.248 nan 8.300 nan 0.000 0.522 772 K N -0.390 119.767 120.400 -0.405 0.000 3.834 772 K HA -0.192 4.129 4.320 0.001 0.000 0.276 772 K C 1.091 177.518 176.600 -0.289 0.000 0.850 772 K CA 0.307 56.152 56.287 -0.736 0.000 0.704 772 K CB -2.142 29.884 32.500 -0.791 0.000 1.644 772 K HN 0.296 nan 8.250 nan 0.000 0.440 773 V N 0.012 119.831 119.914 -0.159 0.000 2.287 773 V HA -0.245 3.875 4.120 0.001 0.000 0.248 773 V C 2.190 178.373 176.094 0.148 0.000 1.053 773 V CA 2.164 64.452 62.300 -0.020 0.000 1.027 773 V CB -0.503 31.289 31.823 -0.052 0.000 0.646 773 V HN 0.549 nan 8.190 nan 0.000 0.447 774 F N 0.188 120.103 119.950 -0.057 0.000 2.234 774 F HA -0.130 4.398 4.527 0.001 0.000 0.299 774 F C 2.479 178.024 175.800 -0.424 0.000 1.087 774 F CA 0.516 58.426 58.000 -0.149 0.000 1.340 774 F CB -0.344 38.557 39.000 -0.165 0.000 1.031 774 F HN 0.193 nan 8.300 nan 0.000 0.500 775 A N -0.555 122.070 122.820 -0.325 0.000 2.070 775 A HA -0.181 4.139 4.320 0.001 0.000 0.220 775 A C 1.457 179.012 177.584 -0.048 0.000 1.159 775 A CA 1.800 53.567 52.037 -0.451 0.000 0.656 775 A CB -0.394 18.473 19.000 -0.222 0.000 0.800 775 A HN 0.248 nan 8.150 nan 0.000 0.453 776 D N -3.105 117.339 120.400 0.073 0.000 2.441 776 D HA 0.077 4.717 4.640 0.001 0.000 0.210 776 D C 1.161 177.634 176.300 0.288 0.000 1.102 776 D CA -0.089 54.037 54.000 0.209 0.000 0.840 776 D CB -0.109 40.826 40.800 0.225 0.000 0.990 776 D HN 0.489 nan 8.370 nan 0.000 0.505 777 Y N 2.515 122.912 120.300 0.163 0.000 2.069 777 Y HA -0.294 4.256 4.550 0.001 0.000 0.278 777 Y C 2.237 178.246 175.900 0.181 0.000 1.175 777 Y CA 2.321 60.540 58.100 0.197 0.000 1.134 777 Y CB 0.030 38.576 38.460 0.144 0.000 0.965 777 Y HN -0.052 nan 8.280 nan 0.000 0.498 778 E N -0.181 120.084 120.200 0.107 0.000 2.031 778 E HA -0.233 4.118 4.350 0.001 0.000 0.193 778 E C 2.332 178.913 176.600 -0.033 0.000 0.994 778 E CA 1.207 57.599 56.400 -0.012 0.000 0.800 778 E CB -0.440 29.364 29.700 0.172 0.000 0.752 778 E HN 0.565 nan 8.360 nan 0.000 0.447 779 A N 0.380 123.263 122.820 0.105 0.000 1.908 779 A HA -0.229 4.092 4.320 0.001 0.000 0.218 779 A C 2.096 179.700 177.584 0.033 0.000 1.181 779 A CA 1.686 53.812 52.037 0.149 0.000 0.627 779 A CB -0.997 18.182 19.000 0.298 0.000 0.818 779 A HN 0.600 nan 8.150 nan 0.000 0.445 780 Y N 0.806 120.966 120.300 -0.234 0.000 2.114 780 Y HA -0.178 4.373 4.550 0.001 0.000 0.284 780 Y C 2.388 177.913 175.900 -0.626 0.000 1.143 780 Y CA 1.777 59.390 58.100 -0.812 0.000 1.135 780 Y CB -0.643 37.452 38.460 -0.608 0.000 0.980 780 Y HN 0.061 nan 8.280 nan 0.000 0.499 781 V N 0.766 120.321 119.914 -0.598 0.000 2.343 781 V HA -0.320 3.801 4.120 0.001 0.000 0.247 781 V C 2.332 178.209 176.094 -0.362 0.000 1.051 781 V CA 2.345 64.313 62.300 -0.552 0.000 1.036 781 V CB -0.645 30.869 31.823 -0.514 0.000 0.654 781 V HN 0.317 nan 8.190 nan 0.000 0.451 782 K N -0.850 119.404 120.400 -0.244 0.000 2.057 782 K HA -0.219 4.102 4.320 0.001 0.000 0.207 782 K C 2.310 178.836 176.600 -0.125 0.000 1.049 782 K CA 1.733 57.946 56.287 -0.125 0.000 0.931 782 K CB -0.609 31.864 32.500 -0.046 0.000 0.714 782 K HN 0.529 nan 8.250 nan 0.000 0.440 783 C N 1.466 120.659 119.300 -0.180 0.000 2.429 783 C HA -0.117 4.344 4.460 0.001 0.000 0.277 783 C C 2.716 177.558 174.990 -0.247 0.000 1.262 783 C CA 0.884 59.833 59.018 -0.116 0.000 1.733 783 C CB -0.650 27.000 27.740 -0.150 0.000 2.010 783 C HN 0.440 nan 8.230 nan 0.000 0.483 784 Q N 0.507 120.002 119.800 -0.510 0.000 2.096 784 Q HA -0.167 4.174 4.340 0.001 0.000 0.204 784 Q C 1.808 177.644 176.000 -0.274 0.000 0.982 784 Q CA 1.875 57.346 55.803 -0.554 0.000 0.850 784 Q CB -0.657 27.525 28.738 -0.927 0.000 0.901 784 Q HN 0.707 nan 8.270 nan 0.000 0.422 785 D N 0.599 120.903 120.400 -0.159 0.000 2.123 785 D HA -0.135 4.505 4.640 0.001 0.000 0.196 785 D C 1.829 178.116 176.300 -0.022 0.000 0.992 785 D CA 1.052 55.019 54.000 -0.054 0.000 0.833 785 D CB -0.037 40.750 40.800 -0.022 0.000 0.954 785 D HN 0.238 nan 8.370 nan 0.000 0.455 786 K N 0.438 120.846 120.400 0.014 0.000 2.103 786 K HA -0.097 4.223 4.320 0.001 0.000 0.207 786 K C 2.215 178.905 176.600 0.151 0.000 1.048 786 K CA 0.579 56.959 56.287 0.156 0.000 0.930 786 K CB -0.073 32.608 32.500 0.302 0.000 0.716 786 K HN -0.013 nan 8.250 nan 0.000 0.444 787 V N 0.842 120.616 119.914 -0.233 0.000 2.295 787 V HA -0.270 3.850 4.120 0.001 0.000 0.246 787 V C 2.147 178.214 176.094 -0.044 0.000 1.049 787 V CA 1.931 63.909 62.300 -0.536 0.000 1.024 787 V CB -0.449 30.930 31.823 -0.740 0.000 0.648 787 V HN 0.270 nan 8.190 nan 0.000 0.447 788 S N -0.820 114.828 115.700 -0.087 0.000 2.370 788 S HA -0.253 4.218 4.470 0.001 0.000 0.226 788 S C 2.035 176.663 174.600 0.047 0.000 1.033 788 S CA 1.382 59.546 58.200 -0.060 0.000 1.011 788 S CB -0.343 62.795 63.200 -0.104 0.000 0.852 788 S HN 0.572 nan 8.310 nan 0.000 0.457 789 Q N 0.569 120.416 119.800 0.079 0.000 2.030 789 Q HA -0.089 4.252 4.340 0.001 0.000 0.204 789 Q C 2.324 178.428 176.000 0.175 0.000 0.986 789 Q CA 1.074 56.942 55.803 0.109 0.000 0.843 789 Q CB -0.954 27.854 28.738 0.116 0.000 0.904 789 Q HN 0.435 nan 8.270 nan 0.000 0.420 790 L N -0.101 121.305 121.223 0.305 0.000 2.042 790 L HA -0.195 4.146 4.340 0.001 0.000 0.210 790 L C 2.256 179.424 176.870 0.496 0.000 1.076 790 L CA 1.636 56.751 54.840 0.459 0.000 0.749 790 L CB -0.819 41.644 42.059 0.675 0.000 0.893 790 L HN 0.175 nan 8.230 nan 0.000 0.432 791 Y N -0.526 119.855 120.300 0.136 0.000 2.315 791 Y HA -0.240 4.311 4.550 0.001 0.000 0.288 791 Y C 2.280 178.023 175.900 -0.262 0.000 1.154 791 Y CA 1.667 59.480 58.100 -0.478 0.000 1.229 791 Y CB -0.254 37.837 38.460 -0.615 0.000 0.980 791 Y HN 0.238 nan 8.280 nan 0.000 0.540 792 M N -0.682 118.886 119.600 -0.053 0.000 2.557 792 M HA -0.130 4.351 4.480 0.001 0.000 0.259 792 M C 0.327 176.575 176.300 -0.087 0.000 1.086 792 M CA 1.071 56.323 55.300 -0.081 0.000 1.096 792 M CB -0.204 32.387 32.600 -0.014 0.000 1.424 792 M HN 0.199 nan 8.290 nan 0.000 0.488 793 N N 0.636 119.312 118.700 -0.041 0.000 2.898 793 N HA 0.172 4.913 4.740 0.001 0.000 0.245 793 N C -2.258 173.253 175.510 0.001 0.000 1.185 793 N CA -1.686 51.362 53.050 -0.003 0.000 0.879 793 N CB 1.154 39.679 38.487 0.063 0.000 1.157 793 N HN -0.218 nan 8.380 nan 0.000 0.503 794 P HA -0.277 nan 4.420 nan 0.000 0.217 794 P C 1.151 178.467 177.300 0.026 0.000 1.158 794 P CA 1.264 64.309 63.100 -0.091 0.000 0.887 794 P CB 0.260 31.880 31.700 -0.133 0.000 0.792 795 K N -0.614 119.801 120.400 0.025 0.000 2.057 795 K HA -0.123 4.198 4.320 0.001 0.000 0.207 795 K C 1.974 178.621 176.600 0.078 0.000 1.049 795 K CA 1.607 57.922 56.287 0.046 0.000 0.931 795 K CB -0.554 31.966 32.500 0.033 0.000 0.714 795 K HN -0.002 nan 8.250 nan 0.000 0.440 796 A N 0.138 123.014 122.820 0.093 0.000 1.897 796 A HA -0.157 4.163 4.320 0.001 0.000 0.215 796 A C 1.875 179.541 177.584 0.136 0.000 1.181 796 A CA 1.040 53.138 52.037 0.101 0.000 0.620 796 A CB -0.899 18.163 19.000 0.103 0.000 0.821 796 A HN 0.585 nan 8.150 nan 0.000 0.443 797 W N 1.283 122.589 121.300 0.008 0.000 2.354 797 W HA -0.141 4.519 4.660 0.001 0.000 0.315 797 W C 2.014 178.552 176.519 0.033 0.000 1.206 797 W CA 1.943 59.309 57.345 0.035 0.000 1.290 797 W CB -0.138 29.304 29.460 -0.031 0.000 1.152 797 W HN 0.349 nan 8.180 nan 0.000 0.489 798 N N -0.927 117.923 118.700 0.250 0.000 2.381 798 N HA -0.108 4.632 4.740 0.001 0.000 0.182 798 N C 1.471 177.022 175.510 0.068 0.000 1.025 798 N CA 1.754 54.886 53.050 0.136 0.000 0.888 798 N CB -0.528 38.014 38.487 0.091 0.000 0.965 798 N HN 0.160 nan 8.380 nan 0.000 0.438 799 T N 1.241 115.835 114.554 0.067 0.000 2.857 799 T HA -0.021 4.329 4.350 0.001 0.000 0.266 799 T C 1.933 176.650 174.700 0.027 0.000 1.048 799 T CA 0.624 62.763 62.100 0.065 0.000 1.139 799 T CB 0.051 68.955 68.868 0.059 0.000 0.874 799 T HN 0.196 nan 8.240 nan 0.000 0.455 800 M N 0.689 120.266 119.600 -0.039 0.000 2.175 800 M HA -0.068 4.412 4.480 0.001 0.000 0.264 800 M C 2.123 178.360 176.300 -0.105 0.000 1.063 800 M CA 1.197 56.436 55.300 -0.102 0.000 1.119 800 M CB -0.181 32.293 32.600 -0.210 0.000 1.377 800 M HN 0.059 nan 8.290 nan 0.000 0.415 801 V N 0.849 120.687 119.914 -0.126 0.000 2.255 801 V HA -0.297 3.824 4.120 0.001 0.000 0.247 801 V C 2.349 178.441 176.094 -0.005 0.000 1.051 801 V CA 1.798 64.047 62.300 -0.084 0.000 1.018 801 V CB -0.941 30.866 31.823 -0.026 0.000 0.641 801 V HN 0.544 nan 8.190 nan 0.000 0.445 802 L N 0.355 121.604 121.223 0.043 0.000 2.043 802 L HA -0.214 4.126 4.340 0.001 0.000 0.212 802 L C 2.365 179.276 176.870 0.067 0.000 1.075 802 L CA 2.011 56.910 54.840 0.098 0.000 0.752 802 L CB -0.864 41.313 42.059 0.196 0.000 0.891 802 L HN 0.266 nan 8.230 nan 0.000 0.432 803 K N -0.734 119.716 120.400 0.082 0.000 2.147 803 K HA -0.127 4.193 4.320 0.001 0.000 0.205 803 K C 1.959 178.604 176.600 0.075 0.000 1.049 803 K CA 1.385 57.747 56.287 0.125 0.000 0.936 803 K CB -0.249 32.316 32.500 0.108 0.000 0.722 803 K HN 0.522 nan 8.250 nan 0.000 0.446 804 N N 0.865 119.582 118.700 0.029 0.000 2.109 804 N HA -0.066 4.675 4.740 0.001 0.000 0.188 804 N C 1.948 177.479 175.510 0.035 0.000 1.034 804 N CA 1.038 54.105 53.050 0.029 0.000 0.846 804 N CB -0.026 38.459 38.487 -0.003 0.000 1.010 804 N HN 0.103 nan 8.380 nan 0.000 0.425 805 I N 1.527 122.106 120.570 0.015 0.000 2.226 805 I HA -0.219 3.952 4.170 0.001 0.000 0.245 805 I C 2.391 178.485 176.117 -0.038 0.000 1.100 805 I CA 0.814 62.116 61.300 0.003 0.000 1.374 805 I CB -0.314 37.684 38.000 -0.004 0.000 1.057 805 I HN 0.081 nan 8.210 nan 0.000 0.413 806 A N 0.459 123.222 122.820 -0.096 0.000 2.121 806 A HA 0.083 4.404 4.320 0.001 0.000 0.218 806 A C 2.172 179.653 177.584 -0.172 0.000 1.154 806 A CA 1.497 53.383 52.037 -0.251 0.000 0.679 806 A CB -0.432 18.203 19.000 -0.610 0.000 0.795 806 A HN 0.435 nan 8.150 nan 0.000 0.458 807 A N -1.098 121.708 122.820 -0.023 0.000 2.423 807 A HA 0.407 4.728 4.320 0.001 0.000 0.246 807 A C 1.765 179.414 177.584 0.108 0.000 1.278 807 A CA 0.717 52.791 52.037 0.061 0.000 0.903 807 A CB -0.231 18.843 19.000 0.125 0.000 0.997 807 A HN 0.291 nan 8.150 nan 0.000 0.510 808 S N -0.049 115.715 115.700 0.106 0.000 2.428 808 S HA -0.014 4.457 4.470 0.001 0.000 0.230 808 S C 2.166 176.834 174.600 0.114 0.000 1.014 808 S CA 0.881 59.207 58.200 0.209 0.000 0.957 808 S CB -0.321 62.969 63.200 0.150 0.000 0.784 808 S HN 0.786 nan 8.310 nan 0.000 0.499 809 G N 2.553 111.362 108.800 0.015 0.000 2.759 809 G HA2 -0.430 3.531 3.960 0.001 0.000 0.224 809 G HA3 -0.430 3.531 3.960 0.001 0.000 0.224 809 G C 1.270 176.096 174.900 -0.123 0.000 1.173 809 G CA 1.759 46.841 45.100 -0.029 0.000 0.770 809 G HN 0.536 nan 8.290 nan 0.000 0.626 810 K N -0.293 119.917 120.400 -0.318 0.000 2.160 810 K HA -0.094 4.227 4.320 0.001 0.000 0.206 810 K C 1.662 177.924 176.600 -0.563 0.000 1.047 810 K CA 1.245 57.215 56.287 -0.528 0.000 0.930 810 K CB -0.278 31.721 32.500 -0.834 0.000 0.720 810 K HN 0.373 nan 8.250 nan 0.000 0.450 811 F N 0.990 120.964 119.950 0.041 0.000 2.725 811 F HA 0.142 4.670 4.527 0.001 0.000 0.303 811 F C 0.880 176.718 175.800 0.063 0.000 1.167 811 F CA -0.186 57.843 58.000 0.048 0.000 1.403 811 F CB -0.148 38.871 39.000 0.032 0.000 1.077 811 F HN -0.130 nan 8.300 nan 0.000 0.537 812 S N 0.155 115.926 115.700 0.119 0.000 2.528 812 S HA 0.121 4.591 4.470 0.001 0.000 0.277 812 S C 1.454 176.133 174.600 0.132 0.000 1.297 812 S CA -0.126 58.146 58.200 0.120 0.000 1.052 812 S CB 0.735 63.977 63.200 0.070 0.000 0.917 812 S HN 0.337 nan 8.310 nan 0.000 0.492 813 S N 3.349 119.155 115.700 0.176 0.000 2.507 813 S HA -0.085 4.386 4.470 0.001 0.000 0.235 813 S C 0.965 175.624 174.600 0.099 0.000 0.988 813 S CA 0.759 59.093 58.200 0.222 0.000 0.944 813 S CB -0.337 63.069 63.200 0.344 0.000 0.762 813 S HN 0.781 nan 8.310 nan 0.000 0.526 814 D N 1.969 122.410 120.400 0.068 0.000 2.117 814 D HA -0.074 4.566 4.640 0.001 0.000 0.198 814 D C 2.090 178.395 176.300 0.008 0.000 0.982 814 D CA 0.869 54.885 54.000 0.028 0.000 0.828 814 D CB -0.343 40.472 40.800 0.025 0.000 0.967 814 D HN 0.389 nan 8.370 nan 0.000 0.464 815 R N 0.678 121.186 120.500 0.014 0.000 2.075 815 R HA -0.098 4.243 4.340 0.001 0.000 0.232 815 R C 1.792 178.088 176.300 -0.007 0.000 1.126 815 R CA 1.425 57.520 56.100 -0.008 0.000 0.963 815 R CB -0.506 29.778 30.300 -0.026 0.000 0.858 815 R HN 0.086 nan 8.270 nan 0.000 0.435 816 T N 2.165 116.738 114.554 0.032 0.000 2.652 816 T HA -0.118 4.233 4.350 0.001 0.000 0.267 816 T C 1.921 176.620 174.700 -0.003 0.000 1.039 816 T CA 1.406 63.546 62.100 0.067 0.000 1.153 816 T CB -0.120 68.872 68.868 0.208 0.000 0.863 816 T HN 0.120 nan 8.240 nan 0.000 0.428 817 I N 1.372 121.853 120.570 -0.149 0.000 2.286 817 I HA -0.119 4.051 4.170 0.001 0.000 0.248 817 I C 2.277 178.346 176.117 -0.081 0.000 1.115 817 I CA 1.448 62.624 61.300 -0.207 0.000 1.392 817 I CB -0.959 36.935 38.000 -0.177 0.000 1.065 817 I HN 0.306 nan 8.210 nan 0.000 0.418 818 K N 0.712 121.086 120.400 -0.043 0.000 2.063 818 K HA -0.209 4.112 4.320 0.001 0.000 0.208 818 K C 1.971 178.529 176.600 -0.070 0.000 1.048 818 K CA 1.580 57.849 56.287 -0.029 0.000 0.928 818 K CB -0.127 32.361 32.500 -0.021 0.000 0.713 818 K HN 0.431 nan 8.250 nan 0.000 0.442 819 E N -0.340 119.801 120.200 -0.098 0.000 2.072 819 E HA -0.191 4.160 4.350 0.001 0.000 0.191 819 E C 1.935 178.368 176.600 -0.278 0.000 0.985 819 E CA 1.195 57.498 56.400 -0.161 0.000 0.801 819 E CB -0.164 29.436 29.700 -0.167 0.000 0.750 819 E HN 0.344 nan 8.360 nan 0.000 0.452 820 Y N 0.986 120.993 120.300 -0.488 0.000 2.145 820 Y HA -0.248 4.303 4.550 0.001 0.000 0.286 820 Y C 2.527 177.880 175.900 -0.911 0.000 1.145 820 Y CA 1.330 58.879 58.100 -0.918 0.000 1.148 820 Y CB -0.387 37.153 38.460 -1.533 0.000 0.981 820 Y HN 0.050 nan 8.280 nan 0.000 0.507 821 A N -0.388 122.224 122.820 -0.347 0.000 1.883 821 A HA -0.286 4.035 4.320 0.001 0.000 0.217 821 A C 2.180 179.774 177.584 0.017 0.000 1.186 821 A CA 2.034 54.102 52.037 0.050 0.000 0.624 821 A CB -0.788 18.311 19.000 0.164 0.000 0.822 821 A HN 0.546 nan 8.150 nan 0.000 0.444 822 Q N -0.698 119.072 119.800 -0.050 0.000 2.083 822 Q HA -0.138 4.203 4.340 0.001 0.000 0.198 822 Q C 0.999 176.968 176.000 -0.052 0.000 0.969 822 Q CA 1.710 57.492 55.803 -0.035 0.000 0.838 822 Q CB -0.042 28.670 28.738 -0.043 0.000 0.900 822 Q HN 0.792 nan 8.270 nan 0.000 0.436 823 N N -1.149 117.481 118.700 -0.116 0.000 2.236 823 N HA 0.220 4.961 4.740 0.001 0.000 0.196 823 N C 0.729 176.182 175.510 -0.096 0.000 1.114 823 N CA 0.156 53.142 53.050 -0.105 0.000 0.859 823 N CB 0.884 39.288 38.487 -0.139 0.000 0.982 823 N HN 0.204 nan 8.380 nan 0.000 0.493 824 I N -1.854 118.640 120.570 -0.126 0.000 3.990 824 I HA 0.098 4.268 4.170 0.001 0.000 0.275 824 I C 0.688 176.947 176.117 0.235 0.000 1.157 824 I CA -0.003 61.282 61.300 -0.026 0.000 1.338 824 I CB 0.268 38.093 38.000 -0.290 0.000 1.588 824 I HN 0.100 nan 8.210 nan 0.000 0.441 825 W N 1.706 123.100 121.300 0.156 0.000 2.658 825 W HA 0.193 4.854 4.660 0.001 0.000 0.263 825 W C 0.756 177.305 176.519 0.051 0.000 1.274 825 W CA 0.234 57.650 57.345 0.117 0.000 1.343 825 W CB -1.162 28.355 29.460 0.095 0.000 1.106 825 W HN 0.333 nan 8.180 nan 0.000 0.615 826 N N 0.385 119.218 118.700 0.221 0.000 2.708 826 N HA -0.181 4.560 4.740 0.001 0.000 0.255 826 N C -1.114 174.471 175.510 0.124 0.000 1.046 826 N CA 0.037 53.157 53.050 0.116 0.000 0.715 826 N CB -0.795 37.731 38.487 0.065 0.000 0.895 826 N HN -0.210 nan 8.380 nan 0.000 0.545 827 V N 0.923 120.936 119.914 0.165 0.000 3.001 827 V HA 0.491 4.611 4.120 0.001 0.000 0.314 827 V C -0.101 176.055 176.094 0.104 0.000 1.099 827 V CA -0.612 61.770 62.300 0.136 0.000 0.989 827 V CB 2.000 33.942 31.823 0.197 0.000 1.040 827 V HN 0.298 nan 8.190 nan 0.000 0.434 828 E N 3.551 123.795 120.200 0.073 0.000 2.199 828 E HA 0.465 4.815 4.350 0.001 0.000 0.265 828 E C -2.667 173.971 176.600 0.064 0.000 0.882 828 E CA -2.204 54.233 56.400 0.062 0.000 0.759 828 E CB 2.251 31.980 29.700 0.047 0.000 1.148 828 E HN 0.430 nan 8.360 nan 0.000 0.412 829 P HA -0.071 nan 4.420 nan 0.000 0.258 829 P C -0.699 176.640 177.300 0.064 0.000 1.187 829 P CA 0.531 63.667 63.100 0.060 0.000 0.767 829 P CB 0.572 32.301 31.700 0.048 0.000 0.770 830 S N 0.000 115.749 115.700 0.082 0.000 2.498 830 S HA 0.000 4.471 4.470 0.001 0.000 0.327 830 S CA 0.000 58.264 58.200 0.107 0.000 1.107 830 S CB 0.000 63.242 63.200 0.071 0.000 0.593 830 S HN 0.000 nan 8.310 nan 0.000 0.517