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 2zb2_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 RLWSARAPNX 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 KDPKKLFVPR 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 0.000 176.622 176.600 0.037 0.000 1.382 22 E CA 0.000 56.414 56.400 0.023 0.000 0.976 22 E CB 0.000 29.713 29.700 0.023 0.000 0.812 23 N N 0.262 118.988 118.700 0.043 0.000 2.226 23 N HA -0.079 4.658 4.740 -0.006 0.000 0.244 23 N C 1.180 176.729 175.510 0.065 0.000 1.449 23 N CA 1.065 54.156 53.050 0.068 0.000 1.568 23 N CB 0.145 38.681 38.487 0.081 0.000 1.272 23 N HN 0.232 nan 8.380 nan 0.000 0.782 24 V N -0.382 119.560 119.914 0.045 0.000 2.287 24 V HA -0.050 4.066 4.120 -0.006 0.000 0.248 24 V C 2.352 178.474 176.094 0.047 0.000 1.053 24 V CA 2.299 64.624 62.300 0.042 0.000 1.027 24 V CB -1.296 30.546 31.823 0.032 0.000 0.646 24 V HN 0.198 nan 8.190 nan 0.000 0.447 25 A N -0.612 122.234 122.820 0.044 0.000 1.969 25 A HA -0.122 4.194 4.320 -0.006 0.000 0.218 25 A C 2.286 179.906 177.584 0.060 0.000 1.169 25 A CA 1.559 53.621 52.037 0.043 0.000 0.635 25 A CB -0.538 18.482 19.000 0.033 0.000 0.810 25 A HN 0.560 nan 8.150 nan 0.000 0.445 26 E N 0.052 120.296 120.200 0.072 0.000 2.112 26 E HA -0.036 4.310 4.350 -0.006 0.000 0.190 26 E C 1.968 178.645 176.600 0.128 0.000 0.979 26 E CA 0.615 57.069 56.400 0.089 0.000 0.814 26 E CB -0.210 29.544 29.700 0.091 0.000 0.762 26 E HN 0.656 nan 8.360 nan 0.000 0.460 27 L N 0.434 121.742 121.223 0.141 0.000 2.093 27 L HA -0.160 4.176 4.340 -0.006 0.000 0.208 27 L C 2.483 179.468 176.870 0.193 0.000 1.085 27 L CA 1.115 56.066 54.840 0.185 0.000 0.755 27 L CB -0.176 41.969 42.059 0.143 0.000 0.904 27 L HN 0.002 nan 8.230 nan 0.000 0.435 28 K N -0.434 120.040 120.400 0.124 0.000 2.025 28 K HA -0.142 4.175 4.320 -0.006 0.000 0.207 28 K C 2.227 178.929 176.600 0.170 0.000 1.049 28 K CA 0.803 57.153 56.287 0.105 0.000 0.933 28 K CB -0.042 32.476 32.500 0.031 0.000 0.714 28 K HN 0.011 nan 8.250 nan 0.000 0.438 29 K N 0.922 121.399 120.400 0.129 0.000 2.057 29 K HA -0.080 4.236 4.320 -0.006 0.000 0.207 29 K C 2.295 178.983 176.600 0.147 0.000 1.049 29 K CA 1.069 57.426 56.287 0.117 0.000 0.931 29 K CB -0.261 32.285 32.500 0.077 0.000 0.714 29 K HN -0.000 nan 8.250 nan 0.000 0.440 30 S N 0.214 116.014 115.700 0.167 0.000 2.368 30 S HA -0.150 4.317 4.470 -0.006 0.000 0.225 30 S C 1.881 176.637 174.600 0.260 0.000 1.030 30 S CA 1.056 59.356 58.200 0.168 0.000 0.999 30 S CB -0.375 62.950 63.200 0.208 0.000 0.844 30 S HN 0.354 nan 8.310 nan 0.000 0.459 31 F N 3.115 123.171 119.950 0.175 0.000 2.095 31 F HA -0.111 4.413 4.527 -0.005 0.000 0.298 31 F C 2.115 178.024 175.800 0.182 0.000 1.104 31 F CA 1.974 60.096 58.000 0.202 0.000 1.232 31 F CB -0.591 38.496 39.000 0.145 0.000 0.987 31 F HN 0.257 nan 8.300 nan 0.000 0.475 32 N N 0.444 119.375 118.700 0.384 0.000 2.166 32 N HA -0.181 4.556 4.740 -0.006 0.000 0.186 32 N C 2.009 177.591 175.510 0.121 0.000 1.019 32 N CA 1.189 54.382 53.050 0.237 0.000 0.856 32 N CB -0.524 38.072 38.487 0.182 0.000 0.993 32 N HN 0.300 nan 8.380 nan 0.000 0.426 33 R N 0.156 120.726 120.500 0.117 0.000 2.091 33 R HA -0.090 4.247 4.340 -0.006 0.000 0.238 33 R C 1.923 178.305 176.300 0.137 0.000 1.136 33 R CA 1.527 57.714 56.100 0.144 0.000 0.959 33 R CB -0.172 30.152 30.300 0.041 0.000 0.856 33 R HN 0.459 nan 8.270 nan 0.000 0.437 34 H N -1.245 117.866 119.070 0.069 0.000 2.372 34 H HA -0.067 4.485 4.556 -0.006 0.000 0.301 34 H C 1.743 176.994 175.328 -0.128 0.000 1.065 34 H CA 1.170 57.188 56.048 -0.050 0.000 1.364 34 H CB 0.093 29.776 29.762 -0.131 0.000 1.406 34 H HN 0.082 nan 8.280 nan 0.000 0.521 35 L N 0.242 121.433 121.223 -0.052 0.000 2.042 35 L HA -0.218 4.118 4.340 -0.006 0.000 0.210 35 L C 2.255 179.114 176.870 -0.019 0.000 1.076 35 L CA 1.825 56.613 54.840 -0.087 0.000 0.749 35 L CB -0.672 41.359 42.059 -0.047 0.000 0.893 35 L HN 0.425 nan 8.230 nan 0.000 0.432 36 H N -1.552 117.457 119.070 -0.102 0.000 2.260 36 H HA -0.133 4.419 4.556 -0.006 0.000 0.304 36 H C 2.109 177.314 175.328 -0.205 0.000 1.059 36 H CA 2.303 58.228 56.048 -0.205 0.000 1.305 36 H CB -0.134 29.415 29.762 -0.355 0.000 1.388 36 H HN 0.346 nan 8.280 nan 0.000 0.496 37 F N 0.619 120.548 119.950 -0.035 0.000 2.206 37 F HA -0.095 4.429 4.527 -0.005 0.000 0.298 37 F C 2.752 178.476 175.800 -0.126 0.000 1.090 37 F CA 1.436 59.375 58.000 -0.102 0.000 1.323 37 F CB -0.385 38.592 39.000 -0.039 0.000 1.028 37 F HN 0.175 nan 8.300 nan 0.000 0.492 38 T N -0.727 113.866 114.554 0.065 0.000 3.031 38 T HA 0.104 4.451 4.350 -0.006 0.000 0.254 38 T C 1.688 176.284 174.700 -0.173 0.000 1.060 38 T CA 0.555 62.604 62.100 -0.084 0.000 1.135 38 T CB 0.156 68.925 68.868 -0.165 0.000 0.896 38 T HN -0.030 nan 8.240 nan 0.000 0.472 39 L N 0.929 122.063 121.223 -0.149 0.000 2.638 39 L HA 0.305 4.642 4.340 -0.006 0.000 0.232 39 L C 0.619 177.407 176.870 -0.137 0.000 1.099 39 L CA 0.415 55.166 54.840 -0.149 0.000 0.883 39 L CB -0.358 41.626 42.059 -0.125 0.000 1.136 39 L HN 0.050 nan 8.230 nan 0.000 0.492 40 V N 0.563 120.377 119.914 -0.167 0.000 5.961 40 V HA -0.275 3.842 4.120 -0.006 0.000 0.311 40 V C 0.384 176.385 176.094 -0.156 0.000 0.552 40 V CA 0.992 63.165 62.300 -0.211 0.000 0.641 40 V CB -2.012 29.713 31.823 -0.164 0.000 0.286 40 V HN 0.390 nan 8.190 nan 0.000 0.939 41 K N 0.863 121.189 120.400 -0.123 0.000 2.469 41 K HA 0.796 5.113 4.320 -0.006 0.000 0.268 41 K C -0.600 176.010 176.600 0.016 0.000 1.027 41 K CA -0.321 55.930 56.287 -0.061 0.000 0.893 41 K CB 2.614 35.066 32.500 -0.080 0.000 1.460 41 K HN 0.504 nan 8.250 nan 0.000 0.449 42 D N -1.090 119.334 120.400 0.040 0.000 2.559 42 D HA 0.308 4.944 4.640 -0.006 0.000 0.250 42 D C 0.459 176.831 176.300 0.121 0.000 1.135 42 D CA -0.641 53.414 54.000 0.091 0.000 0.955 42 D CB 0.877 41.720 40.800 0.071 0.000 1.442 42 D HN 0.114 nan 8.370 nan 0.000 0.471 43 R N 0.161 120.759 120.500 0.164 0.000 2.355 43 R HA -0.042 4.295 4.340 -0.006 0.000 0.219 43 R C 0.313 176.714 176.300 0.168 0.000 1.107 43 R CA 0.652 56.886 56.100 0.223 0.000 1.021 43 R CB -0.920 29.476 30.300 0.160 0.000 0.852 43 R HN 0.486 nan 8.270 nan 0.000 0.475 44 N N -0.886 117.874 118.700 0.100 0.000 2.454 44 N HA -0.058 4.679 4.740 -0.006 0.000 0.177 44 N C 1.166 176.703 175.510 0.045 0.000 1.049 44 N CA 0.661 53.752 53.050 0.068 0.000 0.887 44 N CB 0.557 39.071 38.487 0.044 0.000 1.095 44 N HN 0.103 nan 8.380 nan 0.000 0.446 45 V N -2.403 117.525 119.914 0.024 0.000 3.214 45 V HA 0.654 4.771 4.120 -0.006 0.000 0.330 45 V C 0.227 176.292 176.094 -0.048 0.000 1.403 45 V CA -0.741 61.555 62.300 -0.007 0.000 1.143 45 V CB -0.359 31.456 31.823 -0.014 0.000 1.098 45 V HN 0.065 nan 8.190 nan 0.000 0.463 46 A N 1.725 124.504 122.820 -0.068 0.000 2.320 46 A HA 0.688 5.005 4.320 -0.006 0.000 0.287 46 A C 0.726 178.110 177.584 -0.334 0.000 1.181 46 A CA 0.407 52.296 52.037 -0.248 0.000 0.831 46 A CB 0.287 19.064 19.000 -0.373 0.000 1.102 46 A HN 0.781 nan 8.150 nan 0.000 0.513 47 T N -0.113 114.252 114.554 -0.316 0.000 2.816 47 T HA 0.301 4.647 4.350 -0.006 0.000 0.282 47 T C 1.269 175.799 174.700 -0.283 0.000 0.993 47 T CA 0.396 62.368 62.100 -0.214 0.000 0.994 47 T CB 0.535 69.321 68.868 -0.136 0.000 1.025 47 T HN 0.464 nan 8.240 nan 0.000 0.529 48 T N 0.194 114.718 114.554 -0.050 0.000 2.788 48 T HA -0.101 4.246 4.350 -0.006 0.000 0.268 48 T C 2.007 176.740 174.700 0.055 0.000 1.044 48 T CA 1.485 63.652 62.100 0.112 0.000 1.139 48 T CB -0.345 68.586 68.868 0.105 0.000 0.867 48 T HN 0.676 nan 8.240 nan 0.000 0.454 49 R N 0.976 121.441 120.500 -0.057 0.000 2.091 49 R HA -0.135 4.202 4.340 -0.006 0.000 0.238 49 R C 1.988 178.246 176.300 -0.069 0.000 1.136 49 R CA 1.748 57.779 56.100 -0.115 0.000 0.959 49 R CB -0.255 29.926 30.300 -0.199 0.000 0.856 49 R HN 0.297 nan 8.270 nan 0.000 0.437 50 D N -0.417 119.927 120.400 -0.094 0.000 2.104 50 D HA -0.204 4.433 4.640 -0.006 0.000 0.194 50 D C 1.782 178.061 176.300 -0.035 0.000 0.994 50 D CA 1.423 55.378 54.000 -0.075 0.000 0.830 50 D CB -0.364 40.269 40.800 -0.278 0.000 0.959 50 D HN 0.299 nan 8.370 nan 0.000 0.452 51 Y N -0.011 120.363 120.300 0.123 0.000 2.181 51 Y HA -0.215 4.331 4.550 -0.006 0.000 0.288 51 Y C 2.331 178.361 175.900 0.217 0.000 1.146 51 Y CA 0.408 58.651 58.100 0.239 0.000 1.164 51 Y CB -1.236 37.429 38.460 0.341 0.000 0.982 51 Y HN 0.108 nan 8.280 nan 0.000 0.515 52 Y N -0.338 120.074 120.300 0.187 0.000 2.097 52 Y HA -0.279 4.268 4.550 -0.006 0.000 0.282 52 Y C 2.050 177.998 175.900 0.082 0.000 1.152 52 Y CA 1.186 59.334 58.100 0.081 0.000 1.136 52 Y CB -1.099 37.287 38.460 -0.122 0.000 0.975 52 Y HN -0.000 nan 8.280 nan 0.000 0.498 53 F N 0.490 120.278 119.950 -0.271 0.000 2.095 53 F HA -0.179 4.345 4.527 -0.005 0.000 0.298 53 F C 2.729 178.362 175.800 -0.277 0.000 1.104 53 F CA 1.379 59.165 58.000 -0.356 0.000 1.232 53 F CB -1.464 37.453 39.000 -0.138 0.000 0.987 53 F HN 0.204 nan 8.300 nan 0.000 0.475 54 A N -0.307 122.460 122.820 -0.088 0.000 1.902 54 A HA -0.167 4.150 4.320 -0.006 0.000 0.217 54 A C 2.157 179.624 177.584 -0.194 0.000 1.181 54 A CA 1.666 53.518 52.037 -0.308 0.000 0.623 54 A CB -1.097 17.457 19.000 -0.743 0.000 0.818 54 A HN 0.352 nan 8.150 nan 0.000 0.443 55 L N -0.334 120.907 121.223 0.030 0.000 2.056 55 L HA 0.034 4.370 4.340 -0.006 0.000 0.207 55 L C 2.616 179.542 176.870 0.094 0.000 1.078 55 L CA 2.126 57.121 54.840 0.259 0.000 0.749 55 L CB -0.930 41.358 42.059 0.383 0.000 0.901 55 L HN 0.320 nan 8.230 nan 0.000 0.433 56 A N -1.240 121.514 122.820 -0.110 0.000 1.908 56 A HA -0.260 4.057 4.320 -0.006 0.000 0.218 56 A C 2.282 179.653 177.584 -0.355 0.000 1.181 56 A CA 1.856 53.770 52.037 -0.205 0.000 0.627 56 A CB -1.059 17.583 19.000 -0.597 0.000 0.818 56 A HN 0.694 nan 8.150 nan 0.000 0.445 57 H N -0.758 118.042 119.070 -0.450 0.000 2.357 57 H HA -0.085 4.467 4.556 -0.006 0.000 0.301 57 H C 2.324 177.443 175.328 -0.348 0.000 1.082 57 H CA 1.873 57.565 56.048 -0.593 0.000 1.342 57 H CB -0.229 28.881 29.762 -1.088 0.000 1.389 57 H HN 0.491 nan 8.280 nan 0.000 0.511 58 T N 0.572 115.116 114.554 -0.018 0.000 2.708 58 T HA -0.101 4.245 4.350 -0.006 0.000 0.266 58 T C 2.397 177.290 174.700 0.321 0.000 1.037 58 T CA 1.238 63.509 62.100 0.284 0.000 1.146 58 T CB -0.414 68.671 68.868 0.361 0.000 0.865 58 T HN 0.073 nan 8.240 nan 0.000 0.435 59 V N 1.330 121.400 119.914 0.259 0.000 2.358 59 V HA -0.106 4.010 4.120 -0.006 0.000 0.246 59 V C 2.603 178.893 176.094 0.327 0.000 1.047 59 V CA 1.530 64.007 62.300 0.295 0.000 1.035 59 V CB -0.598 31.395 31.823 0.283 0.000 0.658 59 V HN 0.349 nan 8.190 nan 0.000 0.452 60 R N 0.076 120.710 120.500 0.224 0.000 2.127 60 R HA -0.205 4.131 4.340 -0.006 0.000 0.238 60 R C 1.930 178.324 176.300 0.157 0.000 1.134 60 R CA 1.856 58.064 56.100 0.178 0.000 0.975 60 R CB -0.320 29.855 30.300 -0.208 0.000 0.865 60 R HN 0.487 nan 8.270 nan 0.000 0.447 61 D N -0.351 120.139 120.400 0.150 0.000 2.178 61 D HA -0.139 4.498 4.640 -0.006 0.000 0.201 61 D C 1.359 177.690 176.300 0.052 0.000 0.980 61 D CA 1.248 55.307 54.000 0.098 0.000 0.842 61 D CB -0.249 40.603 40.800 0.086 0.000 0.948 61 D HN 0.454 nan 8.370 nan 0.000 0.472 62 H N -0.572 118.560 119.070 0.103 0.000 2.559 62 H HA 0.125 4.678 4.556 -0.005 0.000 0.273 62 H C 1.874 177.245 175.328 0.071 0.000 1.000 62 H CA 0.353 56.449 56.048 0.079 0.000 1.195 62 H CB 0.078 29.882 29.762 0.070 0.000 1.368 62 H HN 0.126 nan 8.280 nan 0.000 0.592 63 L N -0.347 120.986 121.223 0.183 0.000 2.298 63 L HA -0.058 4.279 4.340 -0.006 0.000 0.209 63 L C 2.304 179.289 176.870 0.191 0.000 1.084 63 L CA 0.364 55.284 54.840 0.133 0.000 0.816 63 L CB -0.114 41.991 42.059 0.077 0.000 0.967 63 L HN 0.265 nan 8.230 nan 0.000 0.460 64 V N -1.776 118.261 119.914 0.206 0.000 2.252 64 V HA -0.207 3.909 4.120 -0.006 0.000 0.249 64 V C 2.344 178.540 176.094 0.170 0.000 1.056 64 V CA 2.175 64.615 62.300 0.232 0.000 1.022 64 V CB -1.922 29.986 31.823 0.142 0.000 0.641 64 V HN 0.383 nan 8.190 nan 0.000 0.445 65 G N 0.110 108.971 108.800 0.101 0.000 2.514 65 G HA2 -0.293 3.663 3.960 -0.006 0.000 0.217 65 G HA3 -0.293 3.663 3.960 -0.006 0.000 0.217 65 G C 1.778 176.723 174.900 0.076 0.000 1.198 65 G CA 1.176 46.315 45.100 0.064 0.000 0.780 65 G HN 0.535 nan 8.290 nan 0.000 0.565 66 R N -1.534 119.020 120.500 0.089 0.000 2.148 66 R HA -0.043 4.293 4.340 -0.006 0.000 0.227 66 R C 2.203 178.588 176.300 0.142 0.000 1.103 66 R CA 0.856 57.000 56.100 0.073 0.000 0.983 66 R CB -0.254 30.073 30.300 0.044 0.000 0.874 66 R HN 0.527 nan 8.270 nan 0.000 0.451 67 W N 1.144 122.422 121.300 -0.036 0.000 2.409 67 W HA -0.004 4.654 4.660 -0.003 0.000 0.299 67 W C 1.494 177.978 176.519 -0.058 0.000 1.203 67 W CA 0.745 58.062 57.345 -0.046 0.000 1.298 67 W CB -0.392 29.059 29.460 -0.016 0.000 1.127 67 W HN -0.056 nan 8.180 nan 0.000 0.528 68 I N -0.067 120.556 120.570 0.088 0.000 2.252 68 I HA -0.278 3.889 4.170 -0.006 0.000 0.245 68 I C 2.694 178.785 176.117 -0.043 0.000 1.102 68 I CA 1.411 62.671 61.300 -0.067 0.000 1.385 68 I CB -0.638 37.333 38.000 -0.048 0.000 1.064 68 I HN -0.121 nan 8.210 nan 0.000 0.414 69 R N 0.549 121.046 120.500 -0.006 0.000 2.070 69 R HA -0.157 4.180 4.340 -0.006 0.000 0.233 69 R C 2.395 178.660 176.300 -0.059 0.000 1.137 69 R CA 2.258 58.346 56.100 -0.021 0.000 0.945 69 R CB -0.349 29.941 30.300 -0.016 0.000 0.845 69 R HN 0.238 nan 8.270 nan 0.000 0.430 70 T N 1.192 115.692 114.554 -0.090 0.000 2.635 70 T HA -0.192 4.155 4.350 -0.006 0.000 0.267 70 T C 1.783 176.160 174.700 -0.539 0.000 1.040 70 T CA 1.455 63.387 62.100 -0.281 0.000 1.156 70 T CB -0.218 68.524 68.868 -0.210 0.000 0.863 70 T HN 0.284 nan 8.240 nan 0.000 0.430 71 Q N 0.608 120.240 119.800 -0.279 0.000 2.124 71 Q HA -0.093 4.244 4.340 -0.006 0.000 0.202 71 Q C 2.371 178.352 176.000 -0.032 0.000 0.977 71 Q CA 1.342 57.050 55.803 -0.158 0.000 0.850 71 Q CB -0.588 28.119 28.738 -0.052 0.000 0.901 71 Q HN 0.501 nan 8.270 nan 0.000 0.429 72 Q N 0.150 119.935 119.800 -0.026 0.000 2.124 72 Q HA -0.186 4.151 4.340 -0.006 0.000 0.202 72 Q C 1.868 177.961 176.000 0.154 0.000 0.977 72 Q CA 1.889 57.728 55.803 0.060 0.000 0.850 72 Q CB -0.427 28.328 28.738 0.029 0.000 0.901 72 Q HN 0.536 nan 8.270 nan 0.000 0.429 73 H N -0.886 118.168 119.070 -0.027 0.000 2.387 73 H HA -0.143 4.409 4.556 -0.006 0.000 0.299 73 H C 0.983 176.423 175.328 0.187 0.000 1.090 73 H CA 1.928 57.993 56.048 0.029 0.000 1.332 73 H CB -0.234 29.496 29.762 -0.054 0.000 1.386 73 H HN 0.340 nan 8.280 nan 0.000 0.516 74 Y N -1.155 119.163 120.300 0.029 0.000 2.293 74 Y HA -0.147 4.399 4.550 -0.006 0.000 0.291 74 Y C 2.325 178.246 175.900 0.035 0.000 1.137 74 Y CA 0.891 58.979 58.100 -0.021 0.000 1.202 74 Y CB -1.287 37.237 38.460 0.108 0.000 0.990 74 Y HN 0.356 nan 8.280 nan 0.000 0.537 75 Y N 1.079 121.464 120.300 0.141 0.000 2.220 75 Y HA -0.160 4.386 4.550 -0.005 0.000 0.291 75 Y C 1.811 177.730 175.900 0.031 0.000 1.129 75 Y CA 1.734 59.881 58.100 0.079 0.000 1.161 75 Y CB -0.180 38.320 38.460 0.066 0.000 0.997 75 Y HN 0.018 nan 8.280 nan 0.000 0.522 76 D N -0.074 120.368 120.400 0.070 0.000 2.137 76 D HA -0.126 4.511 4.640 -0.006 0.000 0.202 76 D C 1.750 177.999 176.300 -0.085 0.000 0.970 76 D CA 1.214 55.198 54.000 -0.027 0.000 0.837 76 D CB -0.191 40.670 40.800 0.102 0.000 0.981 76 D HN 0.333 nan 8.370 nan 0.000 0.475 77 K N 0.237 120.567 120.400 -0.117 0.000 2.400 77 K HA 0.038 4.354 4.320 -0.006 0.000 0.194 77 K C 0.006 176.535 176.600 -0.117 0.000 1.033 77 K CA 0.060 56.265 56.287 -0.136 0.000 1.021 77 K CB 0.311 32.645 32.500 -0.277 0.000 0.808 77 K HN -0.044 nan 8.250 nan 0.000 0.505 78 C N 2.657 121.891 119.300 -0.111 0.000 3.409 78 C HA -0.090 4.366 4.460 -0.006 0.000 0.273 78 C C -2.139 172.802 174.990 -0.082 0.000 1.375 78 C CA -0.474 58.490 59.018 -0.089 0.000 2.175 78 C CB -1.866 25.806 27.740 -0.112 0.000 1.410 78 C HN 0.465 nan 8.230 nan 0.000 0.550 79 P HA 0.236 nan 4.420 nan 0.000 0.279 79 P C -0.305 176.921 177.300 -0.123 0.000 1.252 79 P CA -0.197 62.839 63.100 -0.107 0.000 0.811 79 P CB 0.659 32.280 31.700 -0.131 0.000 1.035 80 K N 2.274 122.613 120.400 -0.102 0.000 2.484 80 K HA 0.005 4.322 4.320 -0.006 0.000 0.280 80 K C 0.194 176.681 176.600 -0.187 0.000 1.013 80 K CA 0.126 56.344 56.287 -0.115 0.000 1.029 80 K CB 0.265 32.718 32.500 -0.078 0.000 0.902 80 K HN 0.366 nan 8.250 nan 0.000 0.481 81 R N 2.393 122.759 120.500 -0.223 0.000 2.457 81 R HA 0.316 4.653 4.340 -0.006 0.000 0.284 81 R C -0.711 175.293 176.300 -0.493 0.000 1.024 81 R CA -0.908 54.980 56.100 -0.355 0.000 1.025 81 R CB 1.468 31.546 30.300 -0.369 0.000 1.063 81 R HN 0.271 nan 8.270 nan 0.000 0.493 82 V N 3.351 122.907 119.914 -0.597 0.000 2.435 82 V HA 0.282 4.398 4.120 -0.006 0.000 0.290 82 V C -1.057 174.686 176.094 -0.585 0.000 1.030 82 V CA -0.723 61.151 62.300 -0.709 0.000 0.881 82 V CB 1.026 32.240 31.823 -1.015 0.000 0.983 82 V HN 0.589 nan 8.190 nan 0.000 0.445 83 Y N 3.700 123.928 120.300 -0.119 0.000 2.388 83 Y HA 0.400 4.946 4.550 -0.006 0.000 0.328 83 Y C -0.430 175.585 175.900 0.192 0.000 0.963 83 Y CA -0.866 57.303 58.100 0.114 0.000 1.240 83 Y CB 1.192 39.665 38.460 0.021 0.000 1.118 83 Y HN 0.644 nan 8.280 nan 0.000 0.484 84 Y N 4.919 125.412 120.300 0.322 0.000 2.600 84 Y HA 0.318 4.864 4.550 -0.006 0.000 0.351 84 Y C -0.652 175.542 175.900 0.490 0.000 1.042 84 Y CA -0.992 57.325 58.100 0.361 0.000 1.333 84 Y CB 0.149 38.828 38.460 0.365 0.000 1.172 84 Y HN 0.547 nan 8.280 nan 0.000 0.517 85 L N 5.312 126.629 121.223 0.158 0.000 2.278 85 L HA 0.438 4.775 4.340 -0.006 0.000 0.287 85 L C -0.383 176.544 176.870 0.095 0.000 1.072 85 L CA 0.303 55.284 54.840 0.235 0.000 0.819 85 L CB 0.392 42.560 42.059 0.182 0.000 1.176 85 L HN 0.524 nan 8.230 nan 0.000 0.435 86 S N 4.505 120.372 115.700 0.279 0.000 2.536 86 S HA 0.435 4.902 4.470 -0.006 0.000 0.271 86 S C 0.394 175.181 174.600 0.312 0.000 1.134 86 S CA -0.781 57.505 58.200 0.144 0.000 0.897 86 S CB 1.050 64.144 63.200 -0.178 0.000 1.094 86 S HN 0.580 nan 8.310 nan 0.000 0.473 87 L N 2.405 123.808 121.223 0.300 0.000 2.552 87 L HA 0.338 4.675 4.340 -0.006 0.000 0.227 87 L C 0.394 177.521 176.870 0.430 0.000 1.146 87 L CA 1.270 56.347 54.840 0.396 0.000 0.858 87 L CB -0.904 41.392 42.059 0.395 0.000 0.969 87 L HN 0.713 nan 8.230 nan 0.000 0.451 88 E N -1.229 119.110 120.200 0.232 0.000 2.340 88 E HA 0.412 4.759 4.350 -0.006 0.000 0.273 88 E C -1.503 175.024 176.600 -0.122 0.000 0.891 88 E CA -0.480 56.024 56.400 0.173 0.000 0.757 88 E CB 2.217 31.957 29.700 0.068 0.000 1.231 88 E HN -0.167 nan 8.360 nan 0.000 0.439 89 F N 1.867 121.935 119.950 0.196 0.000 3.094 89 F HA 0.149 4.673 4.527 -0.005 0.000 0.385 89 F C -0.938 174.965 175.800 0.172 0.000 1.231 89 F CA -0.661 57.443 58.000 0.174 0.000 1.207 89 F CB 0.807 39.901 39.000 0.157 0.000 1.703 89 F HN 0.482 nan 8.300 nan 0.000 0.610 90 Y N 4.726 125.082 120.300 0.095 0.000 2.532 90 Y HA 0.138 4.684 4.550 -0.006 0.000 0.337 90 Y C 1.207 177.123 175.900 0.026 0.000 1.274 90 Y CA -0.580 57.537 58.100 0.029 0.000 1.817 90 Y CB 0.188 38.650 38.460 0.003 0.000 1.769 90 Y HN 0.502 nan 8.280 nan 0.000 0.447 91 M N 0.707 120.395 119.600 0.146 0.000 2.288 91 M HA 0.095 4.572 4.480 -0.006 0.000 0.266 91 M C 1.568 177.807 176.300 -0.102 0.000 1.072 91 M CA 1.111 56.423 55.300 0.019 0.000 1.132 91 M CB -1.143 31.466 32.600 0.016 0.000 1.386 91 M HN 0.629 nan 8.290 nan 0.000 0.432 92 G N 1.090 109.810 108.800 -0.132 0.000 2.593 92 G HA2 -0.250 3.706 3.960 -0.006 0.000 0.237 92 G HA3 -0.250 3.706 3.960 -0.006 0.000 0.237 92 G C -0.375 174.445 174.900 -0.134 0.000 1.312 92 G CA -0.470 44.522 45.100 -0.179 0.000 0.896 92 G HN 0.428 nan 8.290 nan 0.000 0.574 93 R N -0.651 119.759 120.500 -0.149 0.000 2.459 93 R HA 0.587 4.924 4.340 -0.006 0.000 0.281 93 R C 1.110 177.274 176.300 -0.225 0.000 1.050 93 R CA 0.195 56.225 56.100 -0.116 0.000 1.055 93 R CB 0.915 31.163 30.300 -0.087 0.000 1.045 93 R HN 0.531 nan 8.270 nan 0.000 0.495 94 T N 1.449 115.795 114.554 -0.347 0.000 3.034 94 T HA 0.051 4.398 4.350 -0.006 0.000 0.248 94 T C 1.721 175.990 174.700 -0.718 0.000 1.040 94 T CA -0.132 61.553 62.100 -0.693 0.000 1.107 94 T CB 0.117 68.190 68.868 -1.326 0.000 0.932 94 T HN 0.390 nan 8.240 nan 0.000 0.474 95 L N 1.297 122.274 121.223 -0.410 0.000 1.952 95 L HA -0.287 4.049 4.340 -0.006 0.000 0.231 95 L C 2.756 179.569 176.870 -0.095 0.000 1.088 95 L CA 1.945 56.745 54.840 -0.067 0.000 0.802 95 L CB -0.432 41.828 42.059 0.334 0.000 0.903 95 L HN 0.296 nan 8.230 nan 0.000 0.439 96 Q N -0.499 119.271 119.800 -0.050 0.000 2.112 96 Q HA -0.294 4.043 4.340 -0.006 0.000 0.206 96 Q C 2.032 177.960 176.000 -0.120 0.000 0.987 96 Q CA 2.145 57.911 55.803 -0.062 0.000 0.858 96 Q CB -0.225 28.475 28.738 -0.063 0.000 0.905 96 Q HN 0.533 nan 8.270 nan 0.000 0.420 97 N N -0.845 117.742 118.700 -0.189 0.000 2.149 97 N HA -0.145 4.592 4.740 -0.006 0.000 0.188 97 N C 1.374 176.775 175.510 -0.182 0.000 1.019 97 N CA 1.781 54.707 53.050 -0.206 0.000 0.857 97 N CB 0.046 38.376 38.487 -0.262 0.000 0.997 97 N HN 0.198 nan 8.380 nan 0.000 0.426 98 T N 1.311 115.723 114.554 -0.237 0.000 2.812 98 T HA -0.001 4.346 4.350 -0.006 0.000 0.264 98 T C 2.098 176.742 174.700 -0.093 0.000 1.042 98 T CA 0.953 62.935 62.100 -0.198 0.000 1.140 98 T CB -0.038 68.653 68.868 -0.295 0.000 0.870 98 T HN 0.254 nan 8.240 nan 0.000 0.445 99 M N 0.447 120.008 119.600 -0.065 0.000 2.108 99 M HA -0.038 4.438 4.480 -0.006 0.000 0.261 99 M C 2.242 178.524 176.300 -0.029 0.000 1.066 99 M CA 1.679 56.959 55.300 -0.033 0.000 1.107 99 M CB -0.655 31.940 32.600 -0.008 0.000 1.356 99 M HN 0.229 nan 8.290 nan 0.000 0.406 100 I N 0.321 120.878 120.570 -0.021 0.000 2.252 100 I HA -0.265 3.901 4.170 -0.006 0.000 0.245 100 I C 1.519 177.696 176.117 0.100 0.000 1.102 100 I CA 1.137 62.456 61.300 0.031 0.000 1.385 100 I CB -0.588 37.419 38.000 0.012 0.000 1.064 100 I HN 0.318 nan 8.210 nan 0.000 0.414 101 N N 0.378 119.124 118.700 0.076 0.000 2.550 101 N HA -0.052 4.685 4.740 -0.006 0.000 0.186 101 N C 1.040 176.508 175.510 -0.070 0.000 1.110 101 N CA 0.728 53.836 53.050 0.096 0.000 0.912 101 N CB 0.116 38.644 38.487 0.067 0.000 0.968 101 N HN 0.175 nan 8.380 nan 0.000 0.448 102 L N -1.004 120.180 121.223 -0.066 0.000 2.766 102 L HA 0.371 4.707 4.340 -0.006 0.000 0.242 102 L C 0.951 177.764 176.870 -0.094 0.000 1.136 102 L CA -0.061 54.728 54.840 -0.084 0.000 0.933 102 L CB -0.402 41.622 42.059 -0.058 0.000 1.241 102 L HN 0.140 nan 8.230 nan 0.000 0.522 103 G N 0.460 109.208 108.800 -0.087 0.000 2.323 103 G HA2 -0.299 3.658 3.960 -0.006 0.000 0.292 103 G HA3 -0.299 3.658 3.960 -0.006 0.000 0.292 103 G C 0.616 175.477 174.900 -0.066 0.000 1.040 103 G CA 0.677 45.733 45.100 -0.073 0.000 0.942 103 G HN 0.275 nan 8.290 nan 0.000 0.506 104 L N -0.860 120.323 121.223 -0.067 0.000 2.920 104 L HA 0.359 4.695 4.340 -0.006 0.000 0.257 104 L C 2.336 179.178 176.870 -0.047 0.000 1.150 104 L CA 1.435 56.224 54.840 -0.085 0.000 0.959 104 L CB 0.049 42.017 42.059 -0.151 0.000 1.321 104 L HN 0.444 nan 8.230 nan 0.000 0.555 105 Q N -0.137 119.648 119.800 -0.026 0.000 2.061 105 Q HA -0.233 4.104 4.340 -0.006 0.000 0.204 105 Q C 1.547 177.543 176.000 -0.006 0.000 0.984 105 Q CA 2.458 58.255 55.803 -0.009 0.000 0.846 105 Q CB 0.034 28.769 28.738 -0.006 0.000 0.902 105 Q HN 0.617 nan 8.270 nan 0.000 0.421 106 N N -0.587 118.107 118.700 -0.010 0.000 2.244 106 N HA -0.129 4.607 4.740 -0.006 0.000 0.183 106 N C 1.635 177.141 175.510 -0.007 0.000 1.016 106 N CA 0.753 53.797 53.050 -0.011 0.000 0.866 106 N CB -0.080 38.399 38.487 -0.012 0.000 0.980 106 N HN 0.281 nan 8.380 nan 0.000 0.430 107 A N 0.262 123.076 122.820 -0.010 0.000 1.929 107 A HA -0.093 4.224 4.320 -0.006 0.000 0.216 107 A C 2.355 179.944 177.584 0.008 0.000 1.176 107 A CA 0.826 52.861 52.037 -0.003 0.000 0.628 107 A CB -0.738 18.254 19.000 -0.013 0.000 0.816 107 A HN 0.425 nan 8.150 nan 0.000 0.444 108 C N -0.373 118.931 119.300 0.007 0.000 2.446 108 C HA -0.058 4.398 4.460 -0.006 0.000 0.277 108 C C 2.322 177.329 174.990 0.028 0.000 1.275 108 C CA 0.970 60.005 59.018 0.028 0.000 1.727 108 C CB -1.140 26.626 27.740 0.043 0.000 2.010 108 C HN 0.608 nan 8.230 nan 0.000 0.486 109 D N 0.696 121.110 120.400 0.023 0.000 2.149 109 D HA -0.147 4.489 4.640 -0.006 0.000 0.198 109 D C 2.062 178.388 176.300 0.044 0.000 0.990 109 D CA 1.423 55.439 54.000 0.026 0.000 0.839 109 D CB -0.449 40.353 40.800 0.004 0.000 0.948 109 D HN 0.505 nan 8.370 nan 0.000 0.460 110 E N 0.598 120.819 120.200 0.036 0.000 2.106 110 E HA -0.036 4.311 4.350 -0.006 0.000 0.192 110 E C 1.843 178.493 176.600 0.083 0.000 0.984 110 E CA 1.241 57.683 56.400 0.071 0.000 0.806 110 E CB -0.321 29.402 29.700 0.040 0.000 0.750 110 E HN 0.157 nan 8.360 nan 0.000 0.458 111 A N 1.003 123.840 122.820 0.028 0.000 1.858 111 A HA -0.145 4.172 4.320 -0.006 0.000 0.216 111 A C 2.166 179.686 177.584 -0.106 0.000 1.190 111 A CA 1.612 53.635 52.037 -0.023 0.000 0.617 111 A CB -0.691 18.303 19.000 -0.010 0.000 0.827 111 A HN 0.332 nan 8.150 nan 0.000 0.443 112 I N -1.269 119.236 120.570 -0.109 0.000 2.286 112 I HA -0.221 3.946 4.170 -0.006 0.000 0.248 112 I C 2.389 178.436 176.117 -0.117 0.000 1.115 112 I CA 1.523 62.709 61.300 -0.190 0.000 1.392 112 I CB -1.528 36.417 38.000 -0.092 0.000 1.065 112 I HN 0.593 nan 8.210 nan 0.000 0.418 113 Y N 2.167 122.397 120.300 -0.118 0.000 2.145 113 Y HA -0.241 4.305 4.550 -0.006 0.000 0.286 113 Y C 2.693 178.535 175.900 -0.096 0.000 1.145 113 Y CA 1.774 59.821 58.100 -0.089 0.000 1.148 113 Y CB -0.477 37.949 38.460 -0.055 0.000 0.981 113 Y HN 0.200 nan 8.280 nan 0.000 0.507 114 Q N -0.116 119.558 119.800 -0.211 0.000 2.226 114 Q HA -0.142 4.194 4.340 -0.006 0.000 0.204 114 Q C 1.981 177.817 176.000 -0.273 0.000 0.975 114 Q CA 1.560 57.198 55.803 -0.274 0.000 0.866 114 Q CB -0.168 28.518 28.738 -0.087 0.000 0.915 114 Q HN 0.519 nan 8.270 nan 0.000 0.440 115 L N -0.830 120.233 121.223 -0.267 0.000 2.599 115 L HA 0.086 4.423 4.340 -0.006 0.000 0.230 115 L C 1.136 177.838 176.870 -0.281 0.000 1.141 115 L CA 0.428 55.103 54.840 -0.275 0.000 0.877 115 L CB -0.015 41.804 42.059 -0.400 0.000 1.009 115 L HN 0.371 nan 8.230 nan 0.000 0.447 116 G N 0.110 108.727 108.800 -0.306 0.000 2.143 116 G HA2 -0.258 3.698 3.960 -0.006 0.000 0.249 116 G HA3 -0.258 3.698 3.960 -0.006 0.000 0.249 116 G C 0.094 174.866 174.900 -0.214 0.000 0.981 116 G CA -0.088 44.855 45.100 -0.261 0.000 0.665 116 G HN 0.230 nan 8.290 nan 0.000 0.528 117 L N 0.145 121.229 121.223 -0.232 0.000 2.352 117 L HA 0.542 4.879 4.340 -0.006 0.000 0.269 117 L C -0.039 176.794 176.870 -0.062 0.000 1.034 117 L CA -1.020 53.711 54.840 -0.182 0.000 0.806 117 L CB 1.329 43.214 42.059 -0.291 0.000 1.244 117 L HN 0.071 nan 8.230 nan 0.000 0.447 118 D N 1.562 121.956 120.400 -0.010 0.000 2.411 118 D HA 0.075 4.711 4.640 -0.006 0.000 0.225 118 D C 0.798 177.132 176.300 0.056 0.000 1.156 118 D CA -0.267 53.757 54.000 0.041 0.000 0.874 118 D CB 1.327 42.157 40.800 0.050 0.000 1.034 118 D HN 0.439 nan 8.370 nan 0.000 0.502 119 I N 4.005 124.611 120.570 0.059 0.000 2.194 119 I HA -0.221 3.946 4.170 -0.006 0.000 0.246 119 I C 1.988 178.155 176.117 0.083 0.000 1.093 119 I CA 1.513 62.857 61.300 0.073 0.000 1.355 119 I CB -0.004 38.033 38.000 0.061 0.000 1.046 119 I HN 0.483 nan 8.210 nan 0.000 0.413 120 E N 0.367 120.607 120.200 0.067 0.000 2.077 120 E HA -0.321 4.025 4.350 -0.006 0.000 0.193 120 E C 2.150 178.791 176.600 0.069 0.000 0.989 120 E CA 1.669 58.106 56.400 0.061 0.000 0.800 120 E CB -0.201 29.531 29.700 0.053 0.000 0.746 120 E HN 0.716 nan 8.360 nan 0.000 0.452 121 E N -0.118 120.127 120.200 0.074 0.000 2.160 121 E HA -0.200 4.147 4.350 -0.006 0.000 0.195 121 E C 2.104 178.758 176.600 0.090 0.000 0.991 121 E CA 0.770 57.216 56.400 0.077 0.000 0.810 121 E CB 0.071 29.818 29.700 0.079 0.000 0.742 121 E HN 0.129 nan 8.360 nan 0.000 0.466 122 L N 1.245 122.545 121.223 0.128 0.000 2.072 122 L HA -0.091 4.246 4.340 -0.006 0.000 0.205 122 L C 2.070 179.037 176.870 0.161 0.000 1.079 122 L CA 1.618 56.575 54.840 0.195 0.000 0.752 122 L CB -0.475 41.749 42.059 0.276 0.000 0.906 122 L HN 0.134 nan 8.230 nan 0.000 0.436 123 E N -0.634 119.644 120.200 0.130 0.000 2.153 123 E HA -0.193 4.153 4.350 -0.006 0.000 0.194 123 E C 1.701 178.277 176.600 -0.040 0.000 0.988 123 E CA 0.716 57.166 56.400 0.084 0.000 0.811 123 E CB -0.073 29.672 29.700 0.074 0.000 0.746 123 E HN 0.401 nan 8.360 nan 0.000 0.466 124 E N 0.504 120.690 120.200 -0.024 0.000 2.418 124 E HA -0.097 4.250 4.350 -0.006 0.000 0.197 124 E C 1.821 178.358 176.600 -0.104 0.000 1.026 124 E CA 0.343 56.721 56.400 -0.037 0.000 0.862 124 E CB 0.123 29.834 29.700 0.019 0.000 0.799 124 E HN 0.300 nan 8.360 nan 0.000 0.518 125 I N 0.838 121.277 120.570 -0.219 0.000 2.439 125 I HA -0.113 4.054 4.170 -0.006 0.000 0.251 125 I C 1.284 177.097 176.117 -0.507 0.000 1.139 125 I CA 0.383 61.481 61.300 -0.336 0.000 1.438 125 I CB -0.595 37.171 38.000 -0.390 0.000 1.085 125 I HN 0.116 nan 8.210 nan 0.000 0.427 126 E N 2.664 122.421 120.200 -0.739 0.000 2.415 126 E HA -0.068 4.279 4.350 -0.006 0.000 0.263 126 E C -0.168 176.375 176.600 -0.094 0.000 0.995 126 E CA -0.045 56.057 56.400 -0.496 0.000 0.915 126 E CB 0.639 30.183 29.700 -0.261 0.000 0.951 126 E HN 0.102 nan 8.360 nan 0.000 0.449 127 E N 3.670 123.915 120.200 0.075 0.000 2.331 127 E HA 0.097 4.444 4.350 -0.006 0.000 0.272 127 E C -0.769 175.941 176.600 0.183 0.000 1.036 127 E CA -0.407 56.094 56.400 0.168 0.000 0.864 127 E CB 0.907 30.780 29.700 0.290 0.000 1.035 127 E HN 0.510 nan 8.360 nan 0.000 0.408 128 D N 0.818 121.278 120.400 0.099 0.000 2.399 128 D HA 0.168 4.804 4.640 -0.006 0.000 0.241 128 D C -0.297 175.991 176.300 -0.020 0.000 1.133 128 D CA 0.072 54.082 54.000 0.017 0.000 0.890 128 D CB 0.700 41.474 40.800 -0.042 0.000 1.201 128 D HN 0.380 nan 8.370 nan 0.000 0.432 129 A N 1.947 124.691 122.820 -0.127 0.000 2.923 129 A HA 0.476 4.793 4.320 -0.006 0.000 0.306 129 A C 0.951 178.361 177.584 -0.291 0.000 1.542 129 A CA -0.492 51.262 52.037 -0.472 0.000 1.225 129 A CB -0.366 18.422 19.000 -0.353 0.000 1.147 129 A HN 0.483 nan 8.150 nan 0.000 0.542 130 G N 1.550 110.201 108.800 -0.248 0.000 3.541 130 G HA2 0.401 4.357 3.960 -0.006 0.000 0.253 130 G HA3 0.401 4.357 3.960 -0.006 0.000 0.253 130 G C 0.321 175.196 174.900 -0.041 0.000 1.017 130 G CA -0.290 44.844 45.100 0.058 0.000 1.832 130 G HN 0.682 nan 8.290 nan 0.000 0.649 131 L N 1.348 122.548 121.223 -0.038 0.000 2.939 131 L HA 0.386 4.723 4.340 -0.006 0.000 0.239 131 L C 1.074 177.981 176.870 0.061 0.000 1.325 131 L CA -0.268 54.623 54.840 0.085 0.000 1.170 131 L CB -0.379 41.810 42.059 0.217 0.000 1.538 131 L HN 0.307 nan 8.230 nan 0.000 0.452 132 G N -1.260 107.377 108.800 -0.271 0.000 2.684 132 G HA2 0.237 4.193 3.960 -0.006 0.000 0.290 132 G HA3 0.237 4.193 3.960 -0.006 0.000 0.290 132 G C -0.165 174.158 174.900 -0.962 0.000 1.425 132 G CA -0.438 44.326 45.100 -0.560 0.000 0.822 132 G HN -0.062 nan 8.290 nan 0.000 0.482 133 N N -0.753 117.573 118.700 -0.623 0.000 2.499 133 N HA 0.277 5.014 4.740 -0.006 0.000 0.182 133 N C 0.793 176.131 175.510 -0.285 0.000 1.034 133 N CA 1.274 54.091 53.050 -0.389 0.000 0.882 133 N CB 1.158 39.596 38.487 -0.083 0.000 1.125 133 N HN 1.142 nan 8.380 nan 0.000 0.436 134 G N -1.443 107.259 108.800 -0.163 0.000 2.277 134 G HA2 0.371 4.328 3.960 -0.006 0.000 0.272 134 G HA3 0.371 4.328 3.960 -0.006 0.000 0.272 134 G C 0.316 175.283 174.900 0.111 0.000 1.692 134 G CA -0.107 45.095 45.100 0.170 0.000 0.926 134 G HN 0.407 nan 8.290 nan 0.000 0.720 135 G N 0.559 109.432 108.800 0.121 0.000 5.452 135 G HA2 -0.230 3.727 3.960 -0.006 0.000 0.310 135 G HA3 -0.230 3.727 3.960 -0.006 0.000 0.310 135 G C 1.640 176.516 174.900 -0.039 0.000 1.392 135 G CA 1.340 46.457 45.100 0.028 0.000 0.942 135 G HN 2.117 nan 8.290 nan 0.000 0.776 136 L N 2.111 123.275 121.223 -0.099 0.000 1.956 136 L HA 0.225 4.561 4.340 -0.006 0.000 0.216 136 L C 2.957 179.735 176.870 -0.154 0.000 1.073 136 L CA 3.641 58.334 54.840 -0.246 0.000 0.762 136 L CB -1.171 40.711 42.059 -0.295 0.000 0.889 136 L HN 0.878 nan 8.230 nan 0.000 0.433 137 G N -1.593 107.157 108.800 -0.082 0.000 2.471 137 G HA2 -0.286 3.670 3.960 -0.006 0.000 0.219 137 G HA3 -0.286 3.670 3.960 -0.006 0.000 0.219 137 G C 1.714 176.649 174.900 0.059 0.000 1.125 137 G CA 0.754 45.824 45.100 -0.050 0.000 0.775 137 G HN 0.360 nan 8.290 nan 0.000 0.548 138 R N -0.213 120.360 120.500 0.122 0.000 2.200 138 R HA 0.218 4.555 4.340 -0.006 0.000 0.208 138 R C 2.154 178.442 176.300 -0.020 0.000 1.033 138 R CA 0.435 56.615 56.100 0.133 0.000 1.000 138 R CB -0.634 29.758 30.300 0.154 0.000 0.906 138 R HN 0.325 nan 8.270 nan 0.000 0.462 139 L N -0.118 121.008 121.223 -0.161 0.000 2.156 139 L HA 0.175 4.512 4.340 -0.006 0.000 0.208 139 L C 1.936 178.425 176.870 -0.634 0.000 1.095 139 L CA 1.812 56.382 54.840 -0.450 0.000 0.770 139 L CB -0.566 41.193 42.059 -0.500 0.000 0.914 139 L HN 0.207 nan 8.230 nan 0.000 0.439 140 A N -0.427 122.182 122.820 -0.351 0.000 1.873 140 A HA -0.074 4.243 4.320 -0.006 0.000 0.215 140 A C 2.453 180.011 177.584 -0.042 0.000 1.186 140 A CA 1.636 53.497 52.037 -0.294 0.000 0.616 140 A CB -1.142 17.651 19.000 -0.346 0.000 0.823 140 A HN 0.519 nan 8.150 nan 0.000 0.442 141 A N -0.775 122.076 122.820 0.052 0.000 1.858 141 A HA -0.206 4.111 4.320 -0.006 0.000 0.216 141 A C 2.319 179.964 177.584 0.101 0.000 1.190 141 A CA 1.781 53.903 52.037 0.141 0.000 0.617 141 A CB -1.398 17.679 19.000 0.129 0.000 0.827 141 A HN 0.615 nan 8.150 nan 0.000 0.443 142 C N -1.459 117.892 119.300 0.085 0.000 2.413 142 C HA -0.082 4.374 4.460 -0.006 0.000 0.277 142 C C 2.440 177.580 174.990 0.250 0.000 1.265 142 C CA 0.624 59.732 59.018 0.151 0.000 1.752 142 C CB -1.670 26.175 27.740 0.175 0.000 1.998 142 C HN 0.594 nan 8.230 nan 0.000 0.489 143 F N 1.038 120.955 119.950 -0.055 0.000 2.146 143 F HA -0.042 4.482 4.527 -0.006 0.000 0.298 143 F C 2.261 178.021 175.800 -0.068 0.000 1.096 143 F CA 0.886 58.816 58.000 -0.116 0.000 1.275 143 F CB -1.393 37.390 39.000 -0.361 0.000 1.008 143 F HN 0.188 nan 8.300 nan 0.000 0.480 144 L N -0.294 121.024 121.223 0.158 0.000 1.989 144 L HA -0.270 4.066 4.340 -0.006 0.000 0.211 144 L C 2.434 179.337 176.870 0.056 0.000 1.071 144 L CA 2.037 56.938 54.840 0.102 0.000 0.749 144 L CB -0.767 41.370 42.059 0.130 0.000 0.890 144 L HN 0.168 nan 8.230 nan 0.000 0.431 145 D N -0.533 119.901 120.400 0.056 0.000 2.149 145 D HA -0.173 4.463 4.640 -0.006 0.000 0.198 145 D C 2.083 178.408 176.300 0.042 0.000 0.990 145 D CA 1.522 55.537 54.000 0.025 0.000 0.839 145 D CB 0.352 41.155 40.800 0.005 0.000 0.948 145 D HN 0.224 nan 8.370 nan 0.000 0.460 146 S N -0.326 115.414 115.700 0.068 0.000 2.371 146 S HA -0.027 4.439 4.470 -0.006 0.000 0.224 146 S C 2.111 176.733 174.600 0.037 0.000 1.029 146 S CA 0.610 58.844 58.200 0.056 0.000 0.978 146 S CB -0.021 63.218 63.200 0.065 0.000 0.833 146 S HN 0.331 nan 8.310 nan 0.000 0.466 147 M N 0.894 120.510 119.600 0.026 0.000 2.175 147 M HA -0.067 4.409 4.480 -0.006 0.000 0.264 147 M C 2.415 178.726 176.300 0.018 0.000 1.063 147 M CA 1.331 56.641 55.300 0.017 0.000 1.119 147 M CB -0.528 32.064 32.600 -0.013 0.000 1.377 147 M HN 0.374 nan 8.290 nan 0.000 0.415 148 A N -0.083 122.747 122.820 0.017 0.000 1.930 148 A HA -0.101 4.215 4.320 -0.006 0.000 0.217 148 A C 2.177 179.783 177.584 0.036 0.000 1.175 148 A CA 1.910 53.958 52.037 0.019 0.000 0.627 148 A CB -0.959 18.035 19.000 -0.009 0.000 0.815 148 A HN 0.424 nan 8.150 nan 0.000 0.443 149 T N 0.112 114.694 114.554 0.046 0.000 2.821 149 T HA -0.049 4.298 4.350 -0.006 0.000 0.267 149 T C 1.328 176.063 174.700 0.058 0.000 1.046 149 T CA 1.249 63.389 62.100 0.067 0.000 1.139 149 T CB -0.219 68.705 68.868 0.093 0.000 0.871 149 T HN 0.213 nan 8.240 nan 0.000 0.454 150 L N 0.547 121.801 121.223 0.053 0.000 2.599 150 L HA 0.340 4.676 4.340 -0.006 0.000 0.230 150 L C 1.864 178.769 176.870 0.057 0.000 1.141 150 L CA 0.581 55.452 54.840 0.052 0.000 0.877 150 L CB -0.929 41.160 42.059 0.050 0.000 1.009 150 L HN 0.449 nan 8.230 nan 0.000 0.447 151 G N -0.618 108.221 108.800 0.065 0.000 2.153 151 G HA2 -0.280 3.677 3.960 -0.006 0.000 0.252 151 G HA3 -0.280 3.677 3.960 -0.006 0.000 0.252 151 G C 0.387 175.348 174.900 0.102 0.000 0.994 151 G CA 0.155 45.313 45.100 0.097 0.000 0.698 151 G HN 0.286 nan 8.290 nan 0.000 0.521 152 L N 0.060 121.307 121.223 0.041 0.000 2.436 152 L HA 0.536 4.872 4.340 -0.006 0.000 0.265 152 L C 1.389 178.147 176.870 -0.187 0.000 1.168 152 L CA -0.053 54.758 54.840 -0.050 0.000 0.815 152 L CB 1.100 43.133 42.059 -0.044 0.000 1.109 152 L HN 0.266 nan 8.230 nan 0.000 0.462 153 A N 2.591 125.129 122.820 -0.470 0.000 3.063 153 A HA 0.551 4.867 4.320 -0.006 0.000 0.263 153 A C 0.305 177.558 177.584 -0.551 0.000 1.736 153 A CA -0.198 51.233 52.037 -1.010 0.000 1.408 153 A CB -0.702 17.548 19.000 -1.250 0.000 1.108 153 A HN 0.683 nan 8.150 nan 0.000 0.621 154 A N 0.914 123.480 122.820 -0.423 0.000 2.325 154 A HA 0.810 5.126 4.320 -0.006 0.000 0.333 154 A C -0.911 176.455 177.584 -0.364 0.000 1.155 154 A CA -0.415 51.429 52.037 -0.322 0.000 0.814 154 A CB 0.675 19.531 19.000 -0.241 0.000 1.206 154 A HN 0.595 nan 8.150 nan 0.000 0.482 155 Y N -0.193 120.044 120.300 -0.105 0.000 2.477 155 Y HA 0.567 5.114 4.550 -0.006 0.000 0.347 155 Y C 0.733 176.791 175.900 0.263 0.000 0.981 155 Y CA -0.563 57.598 58.100 0.102 0.000 1.033 155 Y CB 2.637 41.263 38.460 0.277 0.000 1.245 155 Y HN 0.843 nan 8.280 nan 0.000 0.455 156 G N 1.555 110.547 108.800 0.319 0.000 2.372 156 G HA2 0.520 4.476 3.960 -0.006 0.000 0.323 156 G HA3 0.520 4.476 3.960 -0.006 0.000 0.323 156 G C -2.030 172.983 174.900 0.187 0.000 1.152 156 G CA -0.412 44.926 45.100 0.397 0.000 0.906 156 G HN 0.463 nan 8.290 nan 0.000 0.460 157 Y N 1.124 121.667 120.300 0.404 0.000 2.328 157 Y HA 0.643 5.189 4.550 -0.006 0.000 0.336 157 Y C 0.784 176.961 175.900 0.462 0.000 0.960 157 Y CA 0.020 58.322 58.100 0.337 0.000 1.134 157 Y CB 2.502 41.203 38.460 0.402 0.000 1.166 157 Y HN 0.826 nan 8.280 nan 0.000 0.464 158 G N 2.430 111.473 108.800 0.406 0.000 2.911 158 G HA2 0.656 4.613 3.960 -0.006 0.000 0.299 158 G HA3 0.656 4.613 3.960 -0.006 0.000 0.299 158 G C -1.671 173.457 174.900 0.381 0.000 1.283 158 G CA -0.864 44.544 45.100 0.513 0.000 0.805 158 G HN 0.430 nan 8.290 nan 0.000 0.548 159 I N 0.536 121.234 120.570 0.213 0.000 2.404 159 I HA 0.392 4.559 4.170 -0.006 0.000 0.293 159 I C 0.381 176.396 176.117 -0.170 0.000 0.992 159 I CA -0.676 60.637 61.300 0.021 0.000 1.149 159 I CB 2.145 39.965 38.000 -0.300 0.000 1.315 159 I HN 0.388 nan 8.210 nan 0.000 0.446 160 R N 6.504 127.028 120.500 0.039 0.000 3.266 160 R HA 0.191 4.528 4.340 -0.006 0.000 0.224 160 R C -1.131 175.253 176.300 0.140 0.000 1.525 160 R CA -0.455 55.714 56.100 0.115 0.000 1.364 160 R CB -0.178 30.191 30.300 0.115 0.000 1.276 160 R HN 0.380 nan 8.270 nan 0.000 0.660 161 Y N 1.315 121.796 120.300 0.301 0.000 2.632 161 Y HA -0.120 4.427 4.550 -0.005 0.000 0.329 161 Y C 1.572 177.671 175.900 0.333 0.000 1.174 161 Y CA 0.259 58.525 58.100 0.276 0.000 1.469 161 Y CB 0.637 39.247 38.460 0.251 0.000 1.242 161 Y HN 0.574 nan 8.280 nan 0.000 0.540 162 E N 2.219 122.589 120.200 0.284 0.000 2.268 162 E HA -0.153 4.194 4.350 -0.006 0.000 0.195 162 E C -0.852 175.670 176.600 -0.129 0.000 0.995 162 E CA 0.833 57.205 56.400 -0.047 0.000 0.836 162 E CB 0.160 29.675 29.700 -0.309 0.000 0.763 162 E HN 0.631 nan 8.360 nan 0.000 0.491 163 Y N -0.870 119.679 120.300 0.414 0.000 2.329 163 Y HA 0.471 5.018 4.550 -0.005 0.000 0.328 163 Y C 0.637 176.681 175.900 0.239 0.000 0.992 163 Y CA -0.626 57.675 58.100 0.335 0.000 1.151 163 Y CB 1.857 40.431 38.460 0.190 0.000 1.150 163 Y HN -0.061 nan 8.280 nan 0.000 0.450 164 G N 1.684 110.656 108.800 0.286 0.000 2.531 164 G HA2 0.335 4.292 3.960 -0.006 0.000 0.253 164 G HA3 0.335 4.292 3.960 -0.006 0.000 0.253 164 G C -0.514 174.407 174.900 0.035 0.000 1.439 164 G CA -0.754 44.375 45.100 0.049 0.000 1.056 164 G HN 0.614 nan 8.290 nan 0.000 0.555 165 I N 0.848 121.380 120.570 -0.064 0.000 2.752 165 I HA 0.198 4.365 4.170 -0.006 0.000 0.289 165 I C 0.536 176.606 176.117 -0.077 0.000 1.197 165 I CA -0.882 60.352 61.300 -0.110 0.000 1.432 165 I CB -0.187 37.672 38.000 -0.235 0.000 1.359 165 I HN 0.339 nan 8.210 nan 0.000 0.571 166 F N 5.569 125.542 119.950 0.038 0.000 2.602 166 F HA 0.192 4.716 4.527 -0.006 0.000 0.367 166 F C 0.423 176.273 175.800 0.083 0.000 1.126 166 F CA -0.527 57.506 58.000 0.055 0.000 1.321 166 F CB -0.572 38.441 39.000 0.022 0.000 1.094 166 F HN 0.516 nan 8.300 nan 0.000 0.594 167 N N 2.446 121.288 118.700 0.236 0.000 2.513 167 N HA 0.032 4.768 4.740 -0.006 0.000 0.268 167 N C -0.779 174.929 175.510 0.331 0.000 1.180 167 N CA -0.561 52.596 53.050 0.178 0.000 0.948 167 N CB 0.606 39.195 38.487 0.169 0.000 1.083 167 N HN 0.708 nan 8.380 nan 0.000 0.455 168 Q N 2.668 122.624 119.800 0.261 0.000 2.293 168 Q HA 0.251 4.587 4.340 -0.006 0.000 0.261 168 Q C -1.217 174.942 176.000 0.266 0.000 0.960 168 Q CA -0.641 55.384 55.803 0.370 0.000 0.882 168 Q CB 0.813 29.776 28.738 0.376 0.000 1.275 168 Q HN 0.336 nan 8.270 nan 0.000 0.445 169 K N 3.557 124.097 120.400 0.233 0.000 2.328 169 K HA 0.526 4.842 4.320 -0.006 0.000 0.246 169 K C -0.730 175.967 176.600 0.162 0.000 0.955 169 K CA -0.901 55.489 56.287 0.171 0.000 0.817 169 K CB 1.638 34.210 32.500 0.120 0.000 1.208 169 K HN 0.632 nan 8.250 nan 0.000 0.432 170 I N 2.386 123.041 120.570 0.142 0.000 2.354 170 I HA 0.292 4.458 4.170 -0.006 0.000 0.286 170 I C -0.171 176.002 176.117 0.093 0.000 1.007 170 I CA -0.723 60.643 61.300 0.111 0.000 1.167 170 I CB 1.201 39.271 38.000 0.118 0.000 1.320 170 I HN 0.393 nan 8.210 nan 0.000 0.458 171 R N 4.787 125.351 120.500 0.106 0.000 2.480 171 R HA 0.335 4.671 4.340 -0.006 0.000 0.306 171 R C -0.118 176.273 176.300 0.153 0.000 0.958 171 R CA -0.165 55.995 56.100 0.100 0.000 0.861 171 R CB 0.476 30.823 30.300 0.077 0.000 1.171 171 R HN 0.573 nan 8.270 nan 0.000 0.445 172 D N 3.312 123.784 120.400 0.120 0.000 2.751 172 D HA -0.184 4.453 4.640 -0.006 0.000 0.233 172 D C 0.761 177.153 176.300 0.153 0.000 1.149 172 D CA 2.405 56.496 54.000 0.152 0.000 0.682 172 D CB -1.050 39.875 40.800 0.209 0.000 1.068 172 D HN 0.977 nan 8.370 nan 0.000 0.429 173 G N -2.328 106.492 108.800 0.035 0.000 2.304 173 G HA2 -0.343 3.613 3.960 -0.006 0.000 0.252 173 G HA3 -0.343 3.613 3.960 -0.006 0.000 0.252 173 G C 0.300 175.063 174.900 -0.229 0.000 1.014 173 G CA 0.473 45.491 45.100 -0.138 0.000 0.619 173 G HN 0.340 nan 8.290 nan 0.000 0.525 174 W N 1.213 122.463 121.300 -0.084 0.000 2.436 174 W HA 0.677 5.334 4.660 -0.006 0.000 0.347 174 W C 0.692 177.153 176.519 -0.096 0.000 1.136 174 W CA -0.690 56.591 57.345 -0.107 0.000 1.286 174 W CB 0.574 29.990 29.460 -0.073 0.000 1.253 174 W HN 0.289 nan 8.180 nan 0.000 0.617 175 Q N 1.297 121.191 119.800 0.156 0.000 2.332 175 Q HA 0.405 4.741 4.340 -0.006 0.000 0.263 175 Q C -1.212 174.852 176.000 0.106 0.000 0.979 175 Q CA 0.050 55.922 55.803 0.115 0.000 0.885 175 Q CB 0.869 29.676 28.738 0.116 0.000 1.218 175 Q HN 0.449 nan 8.270 nan 0.000 0.405 176 V N 3.709 123.681 119.914 0.097 0.000 2.656 176 V HA 0.309 4.426 4.120 -0.006 0.000 0.307 176 V C -1.095 175.019 176.094 0.033 0.000 1.051 176 V CA -0.832 61.487 62.300 0.033 0.000 0.893 176 V CB 2.171 34.020 31.823 0.044 0.000 0.999 176 V HN 0.864 nan 8.190 nan 0.000 0.426 177 E N 2.690 122.834 120.200 -0.094 0.000 2.191 177 E HA 0.613 4.959 4.350 -0.006 0.000 0.278 177 E C -0.769 175.823 176.600 -0.013 0.000 0.972 177 E CA -0.407 55.912 56.400 -0.136 0.000 0.804 177 E CB 1.583 30.932 29.700 -0.586 0.000 1.110 177 E HN 0.626 nan 8.360 nan 0.000 0.394 178 E N 0.803 121.073 120.200 0.117 0.000 2.288 178 E HA 0.605 4.951 4.350 -0.006 0.000 0.268 178 E C -0.993 175.670 176.600 0.105 0.000 0.885 178 E CA -1.324 55.125 56.400 0.082 0.000 0.767 178 E CB 1.965 31.727 29.700 0.102 0.000 1.220 178 E HN 0.564 nan 8.360 nan 0.000 0.427 179 A N 1.719 124.553 122.820 0.024 0.000 2.511 179 A HA 0.043 4.360 4.320 -0.006 0.000 0.242 179 A C -0.090 177.593 177.584 0.165 0.000 1.069 179 A CA 0.087 52.116 52.037 -0.014 0.000 0.763 179 A CB 0.023 18.885 19.000 -0.230 0.000 1.001 179 A HN 0.615 nan 8.150 nan 0.000 0.498 180 D N 2.064 122.637 120.400 0.288 0.000 2.518 180 D HA 0.231 4.868 4.640 -0.006 0.000 0.230 180 D C -0.756 175.874 176.300 0.551 0.000 1.138 180 D CA -0.513 53.698 54.000 0.351 0.000 0.964 180 D CB 0.288 41.257 40.800 0.280 0.000 1.011 180 D HN 0.422 nan 8.370 nan 0.000 0.517 181 D N 3.351 124.026 120.400 0.457 0.000 2.558 181 D HA -0.033 4.603 4.640 -0.006 0.000 0.221 181 D C 1.394 177.766 176.300 0.121 0.000 1.143 181 D CA -0.842 53.331 54.000 0.288 0.000 1.010 181 D CB -0.403 40.546 40.800 0.249 0.000 1.068 181 D HN 0.560 nan 8.370 nan 0.000 0.511 182 W N 1.453 122.765 121.300 0.020 0.000 2.421 182 W HA -0.061 4.595 4.660 -0.006 0.000 0.270 182 W C 0.192 176.708 176.519 -0.005 0.000 1.233 182 W CA -0.056 57.304 57.345 0.023 0.000 1.226 182 W CB -0.830 28.673 29.460 0.072 0.000 1.121 182 W HN 0.184 nan 8.180 nan 0.000 0.579 183 L N 0.983 121.742 121.223 -0.774 0.000 2.592 183 L HA 0.147 4.484 4.340 -0.006 0.000 0.227 183 L C 2.738 179.373 176.870 -0.392 0.000 1.127 183 L CA 0.063 54.456 54.840 -0.745 0.000 0.884 183 L CB -0.677 40.848 42.059 -0.890 0.000 1.065 183 L HN -0.064 nan 8.230 nan 0.000 0.457 184 R N 0.958 121.242 120.500 -0.359 0.000 2.115 184 R HA -0.234 4.103 4.340 -0.006 0.000 0.239 184 R C 1.339 177.490 176.300 -0.248 0.000 1.133 184 R CA 2.175 58.047 56.100 -0.380 0.000 0.935 184 R CB -0.227 29.690 30.300 -0.638 0.000 0.853 184 R HN 0.259 nan 8.270 nan 0.000 0.433 185 Y N -0.072 120.265 120.300 0.060 0.000 2.470 185 Y HA 0.385 4.932 4.550 -0.006 0.000 0.284 185 Y C 0.811 176.790 175.900 0.132 0.000 1.188 185 Y CA 0.113 58.303 58.100 0.150 0.000 1.269 185 Y CB 0.086 38.729 38.460 0.306 0.000 1.094 185 Y HN 0.460 nan 8.280 nan 0.000 0.518 186 G N 1.439 110.288 108.800 0.081 0.000 2.712 186 G HA2 -0.217 3.740 3.960 -0.006 0.000 0.686 186 G HA3 -0.217 3.740 3.960 -0.006 0.000 0.686 186 G C -1.076 173.859 174.900 0.058 0.000 1.321 186 G CA -0.705 44.380 45.100 -0.024 0.000 0.813 186 G HN 0.407 nan 8.290 nan 0.000 0.599 187 N N 1.411 120.084 118.700 -0.046 0.000 2.483 187 N HA 0.619 5.356 4.740 -0.006 0.000 0.267 187 N C -0.599 174.903 175.510 -0.013 0.000 0.998 187 N CA -1.876 51.210 53.050 0.059 0.000 0.918 187 N CB 2.209 40.675 38.487 -0.034 0.000 1.215 187 N HN 0.246 nan 8.380 nan 0.000 0.500 188 P HA 0.016 nan 4.420 nan 0.000 0.229 188 P C 0.264 177.236 177.300 -0.548 0.000 1.160 188 P CA 0.704 63.514 63.100 -0.483 0.000 0.777 188 P CB 0.039 31.276 31.700 -0.772 0.000 0.814 189 W N 2.118 123.450 121.300 0.054 0.000 3.292 189 W HA 0.116 4.773 4.660 -0.006 0.000 0.263 189 W C 0.756 177.319 176.519 0.073 0.000 1.318 189 W CA -0.491 56.879 57.345 0.041 0.000 1.663 189 W CB -0.112 29.390 29.460 0.070 0.000 1.114 189 W HN 0.117 nan 8.180 nan 0.000 0.706 190 E N 0.587 120.918 120.200 0.219 0.000 2.288 190 E HA 0.557 4.903 4.350 -0.006 0.000 0.268 190 E C -1.023 175.716 176.600 0.231 0.000 0.885 190 E CA -1.291 55.260 56.400 0.252 0.000 0.767 190 E CB 1.923 31.775 29.700 0.253 0.000 1.220 190 E HN -0.269 nan 8.360 nan 0.000 0.427 191 K N 1.696 122.255 120.400 0.265 0.000 2.579 191 K HA 0.208 4.524 4.320 -0.006 0.000 0.250 191 K C -1.098 175.534 176.600 0.054 0.000 0.952 191 K CA -0.558 55.828 56.287 0.165 0.000 0.857 191 K CB 1.586 34.177 32.500 0.152 0.000 1.123 191 K HN 0.661 nan 8.250 nan 0.000 0.433 192 S N 4.089 119.746 115.700 -0.070 0.000 2.549 192 S HA 0.263 4.729 4.470 -0.006 0.000 0.286 192 S C -0.115 174.328 174.600 -0.262 0.000 1.314 192 S CA -0.446 57.451 58.200 -0.505 0.000 1.062 192 S CB 0.515 63.370 63.200 -0.575 0.000 0.865 192 S HN 0.491 nan 8.310 nan 0.000 0.498 193 R N 3.464 123.810 120.500 -0.258 0.000 2.575 193 R HA 0.299 4.635 4.340 -0.006 0.000 0.281 193 R C -1.893 174.377 176.300 -0.050 0.000 1.272 193 R CA -2.471 53.592 56.100 -0.062 0.000 1.417 193 R CB 0.443 30.784 30.300 0.067 0.000 1.121 193 R HN 0.590 nan 8.270 nan 0.000 0.583 194 P HA -0.216 nan 4.420 nan 0.000 0.215 194 P C 0.892 178.140 177.300 -0.087 0.000 1.153 194 P CA 1.267 64.317 63.100 -0.084 0.000 0.853 194 P CB 0.338 31.985 31.700 -0.087 0.000 0.788 195 E N -0.194 119.895 120.200 -0.185 0.000 2.396 195 E HA -0.163 4.183 4.350 -0.006 0.000 0.200 195 E C 0.760 177.092 176.600 -0.447 0.000 1.023 195 E CA 0.949 57.139 56.400 -0.350 0.000 0.857 195 E CB -0.911 28.472 29.700 -0.529 0.000 0.775 195 E HN 0.290 nan 8.360 nan 0.000 0.525 196 F N 0.749 120.702 119.950 0.005 0.000 2.647 196 F HA 0.352 4.878 4.527 -0.002 0.000 0.300 196 F C 1.068 176.958 175.800 0.150 0.000 1.106 196 F CA -0.538 57.502 58.000 0.067 0.000 1.313 196 F CB 0.023 39.055 39.000 0.054 0.000 1.007 196 F HN -0.107 nan 8.300 nan 0.000 0.536 197 M N 1.340 121.070 119.600 0.216 0.000 2.252 197 M HA 0.255 4.731 4.480 -0.006 0.000 0.321 197 M C -0.766 175.652 176.300 0.196 0.000 1.070 197 M CA 0.864 56.300 55.300 0.227 0.000 1.143 197 M CB 0.543 33.219 32.600 0.126 0.000 1.498 197 M HN 0.073 nan 8.290 nan 0.000 0.445 198 L N 4.468 125.784 121.223 0.156 0.000 2.424 198 L HA 0.646 4.983 4.340 -0.006 0.000 0.258 198 L C -2.476 174.370 176.870 -0.041 0.000 0.995 198 L CA -1.892 52.967 54.840 0.032 0.000 0.821 198 L CB 2.435 44.463 42.059 -0.052 0.000 1.383 198 L HN 0.510 nan 8.230 nan 0.000 0.410 199 P HA 0.374 nan 4.420 nan 0.000 0.292 199 P C -1.342 175.775 177.300 -0.305 0.000 1.283 199 P CA -0.503 62.496 63.100 -0.168 0.000 0.835 199 P CB 2.428 34.022 31.700 -0.177 0.000 1.017 200 V N 3.566 123.292 119.914 -0.313 0.000 2.604 200 V HA 0.345 4.462 4.120 -0.006 0.000 0.305 200 V C 0.164 175.973 176.094 -0.474 0.000 1.043 200 V CA -0.629 61.454 62.300 -0.362 0.000 0.888 200 V CB 1.622 33.345 31.823 -0.167 0.000 0.995 200 V HN 0.615 nan 8.190 nan 0.000 0.429 201 H N 3.365 122.257 119.070 -0.296 0.000 2.499 201 H HA 0.655 5.207 4.556 -0.006 0.000 0.340 201 H C -1.399 173.603 175.328 -0.543 0.000 1.148 201 H CA -0.288 55.515 56.048 -0.409 0.000 1.215 201 H CB 1.890 31.179 29.762 -0.788 0.000 1.529 201 H HN 0.470 nan 8.280 nan 0.000 0.510 202 F N 0.455 120.468 119.950 0.105 0.000 2.591 202 F HA 0.210 4.733 4.527 -0.006 0.000 0.309 202 F C -0.253 175.705 175.800 0.263 0.000 1.098 202 F CA -0.562 57.537 58.000 0.165 0.000 0.937 202 F CB 0.987 40.075 39.000 0.146 0.000 1.250 202 F HN 0.613 nan 8.300 nan 0.000 0.447 203 Y N 0.523 121.099 120.300 0.460 0.000 2.896 203 Y HA -0.052 4.495 4.550 -0.006 0.000 0.466 203 Y C 1.496 177.632 175.900 0.393 0.000 1.198 203 Y CA 0.789 59.090 58.100 0.336 0.000 2.512 203 Y CB -1.824 36.762 38.460 0.210 0.000 1.232 203 Y HN 1.287 nan 8.280 nan 0.000 0.632 204 G N 0.485 109.543 108.800 0.430 0.000 2.645 204 G HA2 0.108 4.065 3.960 -0.006 0.000 0.246 204 G HA3 0.108 4.065 3.960 -0.006 0.000 0.246 204 G C -0.944 174.167 174.900 0.352 0.000 1.322 204 G CA 0.235 45.502 45.100 0.278 0.000 0.898 204 G HN 0.679 nan 8.290 nan 0.000 0.573 205 K N -1.156 119.436 120.400 0.320 0.000 2.522 205 K HA 0.681 4.998 4.320 -0.006 0.000 0.275 205 K C -0.035 176.699 176.600 0.224 0.000 1.006 205 K CA -0.111 56.316 56.287 0.234 0.000 0.890 205 K CB 1.523 34.101 32.500 0.130 0.000 1.475 205 K HN 1.555 nan 8.250 nan 0.000 0.441 206 V N -1.862 118.089 119.914 0.060 0.000 2.481 206 V HA 0.593 4.709 4.120 -0.006 0.000 0.286 206 V C -0.222 175.773 176.094 -0.165 0.000 1.042 206 V CA -0.374 61.873 62.300 -0.089 0.000 0.928 206 V CB 1.433 33.121 31.823 -0.225 0.000 0.986 206 V HN 0.753 nan 8.190 nan 0.000 0.462 207 E N 3.190 123.254 120.200 -0.228 0.000 2.373 207 E HA 0.336 4.682 4.350 -0.006 0.000 0.251 207 E C -1.026 175.443 176.600 -0.217 0.000 0.923 207 E CA -0.688 55.612 56.400 -0.166 0.000 0.798 207 E CB 0.714 30.387 29.700 -0.046 0.000 1.303 207 E HN 0.948 nan 8.360 nan 0.000 0.412 208 H N 2.540 121.623 119.070 0.023 0.000 2.722 208 H HA 0.214 4.766 4.556 -0.006 0.000 0.328 208 H C 0.428 175.765 175.328 0.014 0.000 1.067 208 H CA 0.360 56.417 56.048 0.014 0.000 1.447 208 H CB 1.297 31.061 29.762 0.003 0.000 1.469 208 H HN 0.558 nan 8.280 nan 0.000 0.544 209 T N -0.948 113.673 114.554 0.112 0.000 2.778 209 T HA 0.100 4.447 4.350 -0.006 0.000 0.293 209 T C 0.914 175.650 174.700 0.060 0.000 1.144 209 T CA -1.104 61.037 62.100 0.069 0.000 1.010 209 T CB 0.857 69.751 68.868 0.042 0.000 1.325 209 T HN 0.471 nan 8.240 nan 0.000 0.515 210 N N -0.300 118.425 118.700 0.042 0.000 2.575 210 N HA 0.019 4.756 4.740 -0.006 0.000 0.192 210 N C 1.148 176.678 175.510 0.032 0.000 1.200 210 N CA 0.731 53.801 53.050 0.033 0.000 0.897 210 N CB -0.513 37.989 38.487 0.025 0.000 0.990 210 N HN 0.824 nan 8.380 nan 0.000 0.449 211 T N -5.327 109.249 114.554 0.036 0.000 3.054 211 T HA 0.591 4.937 4.350 -0.006 0.000 0.255 211 T C 0.872 175.596 174.700 0.040 0.000 1.035 211 T CA -0.057 62.063 62.100 0.033 0.000 0.941 211 T CB 0.296 69.181 68.868 0.029 0.000 1.026 211 T HN 0.435 nan 8.240 nan 0.000 0.533 212 G N 0.726 109.556 108.800 0.050 0.000 2.265 212 G HA2 0.171 4.127 3.960 -0.006 0.000 0.246 212 G HA3 0.171 4.127 3.960 -0.006 0.000 0.246 212 G C -0.980 173.967 174.900 0.079 0.000 1.299 212 G CA -0.483 44.654 45.100 0.062 0.000 1.117 212 G HN 0.368 nan 8.290 nan 0.000 0.485 213 T N 1.634 116.235 114.554 0.079 0.000 2.797 213 T HA 0.638 4.985 4.350 -0.006 0.000 0.279 213 T C -0.232 174.480 174.700 0.019 0.000 0.991 213 T CA -0.329 61.811 62.100 0.066 0.000 0.979 213 T CB 1.339 70.275 68.868 0.112 0.000 0.943 213 T HN 0.571 nan 8.240 nan 0.000 0.444 214 K N 1.805 122.196 120.400 -0.015 0.000 2.292 214 K HA 0.346 4.663 4.320 -0.006 0.000 0.257 214 K C -1.334 175.304 176.600 0.064 0.000 0.940 214 K CA -0.861 55.437 56.287 0.018 0.000 0.811 214 K CB 1.917 34.421 32.500 0.006 0.000 1.120 214 K HN 0.486 nan 8.250 nan 0.000 0.428 215 W N 6.934 128.157 121.300 -0.128 0.000 2.283 215 W HA 0.370 5.027 4.660 -0.005 0.000 0.317 215 W C -0.864 175.583 176.519 -0.120 0.000 1.042 215 W CA -1.372 55.897 57.345 -0.127 0.000 1.348 215 W CB -0.144 29.238 29.460 -0.129 0.000 1.216 215 W HN 0.577 nan 8.180 nan 0.000 0.404 216 I N 1.549 122.161 120.570 0.071 0.000 3.133 216 I HA 0.582 4.749 4.170 -0.006 0.000 0.311 216 I C -0.109 175.976 176.117 -0.053 0.000 1.072 216 I CA -1.011 60.249 61.300 -0.067 0.000 1.015 216 I CB 1.912 39.900 38.000 -0.019 0.000 1.233 216 I HN 0.275 nan 8.210 nan 0.000 0.473 217 D N 0.666 121.031 120.400 -0.057 0.000 2.800 217 D HA -0.149 4.488 4.640 -0.006 0.000 0.232 217 D C 0.005 176.300 176.300 -0.009 0.000 1.137 217 D CA 1.517 55.509 54.000 -0.013 0.000 0.718 217 D CB -1.282 39.534 40.800 0.026 0.000 1.084 217 D HN 1.048 nan 8.370 nan 0.000 0.432 218 T N -3.080 111.418 114.554 -0.093 0.000 2.902 218 T HA 0.532 4.879 4.350 -0.006 0.000 0.280 218 T C 0.265 175.005 174.700 0.067 0.000 0.992 218 T CA -0.960 61.103 62.100 -0.061 0.000 1.015 218 T CB 1.959 70.588 68.868 -0.399 0.000 1.044 218 T HN -0.096 nan 8.240 nan 0.000 0.520 219 Q N 0.923 120.831 119.800 0.181 0.000 2.243 219 Q HA 0.535 4.872 4.340 -0.006 0.000 0.252 219 Q C -0.659 175.470 176.000 0.214 0.000 0.909 219 Q CA -0.577 55.345 55.803 0.198 0.000 0.922 219 Q CB 1.941 30.840 28.738 0.268 0.000 1.215 219 Q HN 0.588 nan 8.270 nan 0.000 0.427 220 V N 2.279 122.270 119.914 0.129 0.000 2.547 220 V HA 0.548 4.665 4.120 -0.006 0.000 0.299 220 V C -0.181 175.982 176.094 0.116 0.000 1.040 220 V CA -0.650 61.675 62.300 0.041 0.000 0.913 220 V CB 2.103 33.900 31.823 -0.042 0.000 0.992 220 V HN 0.497 nan 8.190 nan 0.000 0.449 221 V N 5.316 125.322 119.914 0.154 0.000 2.760 221 V HA 0.475 4.592 4.120 -0.006 0.000 0.309 221 V C -0.404 175.808 176.094 0.197 0.000 1.077 221 V CA -0.598 61.831 62.300 0.216 0.000 0.910 221 V CB 2.021 34.062 31.823 0.365 0.000 1.008 221 V HN 0.623 nan 8.190 nan 0.000 0.424 222 L N 3.464 124.799 121.223 0.187 0.000 2.334 222 L HA 0.790 5.127 4.340 -0.006 0.000 0.277 222 L C 0.416 177.489 176.870 0.339 0.000 1.075 222 L CA -0.432 54.521 54.840 0.187 0.000 0.804 222 L CB 1.474 43.617 42.059 0.141 0.000 1.174 222 L HN 0.758 nan 8.230 nan 0.000 0.438 223 A N 3.831 126.813 122.820 0.271 0.000 2.273 223 A HA 0.601 4.918 4.320 -0.006 0.000 0.315 223 A C -0.941 176.947 177.584 0.507 0.000 1.256 223 A CA -0.418 51.850 52.037 0.385 0.000 0.851 223 A CB 0.987 19.849 19.000 -0.230 0.000 1.172 223 A HN 0.500 nan 8.150 nan 0.000 0.508 224 L N 5.946 127.494 121.223 0.542 0.000 2.295 224 L HA 0.524 4.861 4.340 -0.006 0.000 0.281 224 L C -2.377 174.652 176.870 0.266 0.000 1.018 224 L CA -2.218 52.826 54.840 0.341 0.000 0.841 224 L CB 1.400 43.598 42.059 0.232 0.000 1.218 224 L HN 0.427 nan 8.230 nan 0.000 0.424 225 P HA 0.135 nan 4.420 nan 0.000 0.275 225 P C -1.628 175.457 177.300 -0.358 0.000 1.227 225 P CA 0.059 62.861 63.100 -0.497 0.000 0.781 225 P CB 0.480 31.549 31.700 -1.051 0.000 0.906 226 Y N 1.091 121.250 120.300 -0.235 0.000 2.326 226 Y HA 0.268 4.816 4.550 -0.004 0.000 0.331 226 Y C 0.370 176.205 175.900 -0.108 0.000 0.962 226 Y CA -0.437 57.608 58.100 -0.091 0.000 1.167 226 Y CB 1.363 39.819 38.460 -0.006 0.000 1.148 226 Y HN 0.247 nan 8.280 nan 0.000 0.463 227 D N 1.906 122.354 120.400 0.080 0.000 2.210 227 D HA 0.413 5.049 4.640 -0.006 0.000 0.249 227 D C -0.562 175.922 176.300 0.305 0.000 1.062 227 D CA -0.074 54.018 54.000 0.153 0.000 0.891 227 D CB 1.693 42.610 40.800 0.194 0.000 1.186 227 D HN 0.368 nan 8.370 nan 0.000 0.432 228 T N 2.795 117.478 114.554 0.214 0.000 2.881 228 T HA 0.436 4.783 4.350 -0.006 0.000 0.290 228 T C -2.628 171.965 174.700 -0.178 0.000 1.000 228 T CA -1.340 60.809 62.100 0.083 0.000 0.978 228 T CB 2.227 71.132 68.868 0.061 0.000 0.997 228 T HN 0.189 nan 8.240 nan 0.000 0.443 229 P HA 0.342 nan 4.420 nan 0.000 0.279 229 P C -0.991 176.000 177.300 -0.516 0.000 1.239 229 P CA -0.406 62.037 63.100 -1.095 0.000 0.789 229 P CB 0.947 31.646 31.700 -1.668 0.000 0.933 230 V N 5.402 125.073 119.914 -0.405 0.000 2.284 230 V HA 0.255 4.371 4.120 -0.006 0.000 0.274 230 V C -1.965 174.005 176.094 -0.206 0.000 1.023 230 V CA -2.032 60.129 62.300 -0.233 0.000 0.808 230 V CB 1.298 33.041 31.823 -0.134 0.000 1.035 230 V HN 0.548 nan 8.190 nan 0.000 0.445 231 P HA 0.201 nan 4.420 nan 0.000 0.276 231 P C 0.389 177.648 177.300 -0.068 0.000 1.243 231 P CA 0.396 63.414 63.100 -0.136 0.000 0.768 231 P CB 1.508 33.129 31.700 -0.132 0.000 0.856 232 G N 2.920 111.695 108.800 -0.042 0.000 2.539 232 G HA2 0.112 4.068 3.960 -0.006 0.000 0.258 232 G HA3 0.112 4.068 3.960 -0.006 0.000 0.258 232 G C -1.071 173.846 174.900 0.029 0.000 1.202 232 G CA -0.402 44.701 45.100 0.006 0.000 0.851 232 G HN 0.490 nan 8.290 nan 0.000 0.556 233 Y N 2.795 123.064 120.300 -0.052 0.000 2.637 233 Y HA 0.203 4.750 4.550 -0.006 0.000 0.350 233 Y C 1.026 176.896 175.900 -0.050 0.000 1.069 233 Y CA -0.861 57.204 58.100 -0.060 0.000 1.397 233 Y CB 0.079 38.501 38.460 -0.063 0.000 1.163 233 Y HN 0.482 nan 8.280 nan 0.000 0.527 234 M N 5.466 124.734 119.600 -0.553 0.000 2.303 234 M HA -0.349 4.127 4.480 -0.006 0.000 0.189 234 M C -0.354 175.792 176.300 -0.256 0.000 0.688 234 M CA 1.618 56.623 55.300 -0.493 0.000 0.479 234 M CB -2.057 30.062 32.600 -0.801 0.000 1.094 234 M HN 0.908 nan 8.290 nan 0.000 0.907 235 N N -1.696 116.916 118.700 -0.146 0.000 2.261 235 N HA 0.167 4.904 4.740 -0.006 0.000 0.241 235 N C 0.373 175.850 175.510 -0.055 0.000 1.374 235 N CA -0.077 52.924 53.050 -0.081 0.000 0.802 235 N CB 0.595 39.057 38.487 -0.042 0.000 1.339 235 N HN 0.303 nan 8.380 nan 0.000 0.498 236 N N -0.184 118.479 118.700 -0.061 0.000 2.946 236 N HA -0.196 4.541 4.740 -0.006 0.000 0.228 236 N C -0.157 175.333 175.510 -0.033 0.000 0.873 236 N CA 2.172 55.196 53.050 -0.044 0.000 1.029 236 N CB -1.274 37.185 38.487 -0.048 0.000 1.047 236 N HN 0.675 nan 8.380 nan 0.000 0.612 237 T N 0.472 115.011 114.554 -0.025 0.000 2.882 237 T HA 0.604 4.950 4.350 -0.006 0.000 0.287 237 T C -0.309 174.376 174.700 -0.026 0.000 0.992 237 T CA -0.386 61.706 62.100 -0.012 0.000 1.076 237 T CB 1.566 70.456 68.868 0.037 0.000 0.961 237 T HN -0.031 nan 8.240 nan 0.000 0.490 238 V N 5.839 125.736 119.914 -0.028 0.000 2.524 238 V HA 0.398 4.515 4.120 -0.006 0.000 0.297 238 V C 0.129 176.189 176.094 -0.057 0.000 1.035 238 V CA -1.032 61.205 62.300 -0.105 0.000 0.867 238 V CB 1.421 33.134 31.823 -0.184 0.000 1.004 238 V HN 1.009 nan 8.190 nan 0.000 0.426 239 N N 1.753 120.401 118.700 -0.087 0.000 2.476 239 N HA 0.619 5.355 4.740 -0.006 0.000 0.287 239 N C -0.505 174.995 175.510 -0.016 0.000 1.262 239 N CA -0.633 52.397 53.050 -0.033 0.000 0.980 239 N CB 1.004 39.445 38.487 -0.076 0.000 1.163 239 N HN 0.597 nan 8.380 nan 0.000 0.592 240 T N 0.973 115.530 114.554 0.005 0.000 2.841 240 T HA 0.346 4.693 4.350 -0.006 0.000 0.283 240 T C -0.788 173.924 174.700 0.021 0.000 1.000 240 T CA -0.470 61.718 62.100 0.146 0.000 0.977 240 T CB 1.044 70.113 68.868 0.336 0.000 0.979 240 T HN 0.329 nan 8.240 nan 0.000 0.446 241 M N 3.840 123.421 119.600 -0.032 0.000 2.044 241 M HA 0.495 4.972 4.480 -0.006 0.000 0.333 241 M C -0.468 175.697 176.300 -0.225 0.000 1.004 241 M CA -0.755 54.441 55.300 -0.173 0.000 0.954 241 M CB 0.618 33.078 32.600 -0.233 0.000 1.468 241 M HN 0.456 nan 8.290 nan 0.000 0.414 242 R N 4.607 124.863 120.500 -0.407 0.000 2.207 242 R HA 0.514 4.850 4.340 -0.006 0.000 0.334 242 R C -1.862 174.101 176.300 -0.562 0.000 1.013 242 R CA -0.530 55.228 56.100 -0.570 0.000 0.858 242 R CB 0.750 30.483 30.300 -0.946 0.000 1.094 242 R HN 0.646 nan 8.270 nan 0.000 0.457 243 L N 5.771 126.772 121.223 -0.370 0.000 2.313 243 L HA 0.468 4.804 4.340 -0.006 0.000 0.283 243 L C -1.074 175.735 176.870 -0.101 0.000 1.013 243 L CA -0.543 54.200 54.840 -0.161 0.000 0.816 243 L CB 1.137 43.187 42.059 -0.016 0.000 1.236 243 L HN 0.623 nan 8.230 nan 0.000 0.419 244 W N 2.366 123.775 121.300 0.181 0.000 2.438 244 W HA 0.644 5.300 4.660 -0.007 0.000 0.324 244 W C 0.224 176.998 176.519 0.425 0.000 1.119 244 W CA -0.439 57.070 57.345 0.274 0.000 1.221 244 W CB 1.540 31.061 29.460 0.103 0.000 1.253 244 W HN 0.565 nan 8.180 nan 0.000 0.555 245 S N 1.413 117.542 115.700 0.715 0.000 2.521 245 S HA 0.851 5.318 4.470 -0.006 0.000 0.295 245 S C -0.624 174.292 174.600 0.525 0.000 1.098 245 S CA -1.085 57.414 58.200 0.497 0.000 0.999 245 S CB 1.508 64.924 63.200 0.361 0.000 1.034 245 S HN 0.723 nan 8.310 nan 0.000 0.483 246 A N 3.524 126.450 122.820 0.177 0.000 2.354 246 A HA 0.796 5.112 4.320 -0.006 0.000 0.269 246 A C 0.046 177.705 177.584 0.125 0.000 1.109 246 A CA -0.633 51.441 52.037 0.062 0.000 0.800 246 A CB 0.278 19.043 19.000 -0.391 0.000 1.045 246 A HN 0.773 nan 8.150 nan 0.000 0.489 247 R N 0.512 121.110 120.500 0.163 0.000 2.651 247 R HA 0.601 4.938 4.340 -0.006 0.000 0.278 247 R C -0.565 175.794 176.300 0.099 0.000 1.010 247 R CA -0.463 55.711 56.100 0.123 0.000 0.896 247 R CB 1.825 32.213 30.300 0.145 0.000 1.211 247 R HN 0.882 nan 8.270 nan 0.000 0.456 248 A N 4.186 127.046 122.820 0.067 0.000 2.401 248 A HA 0.502 4.818 4.320 -0.006 0.000 0.259 248 A C -1.852 175.766 177.584 0.056 0.000 1.103 248 A CA -1.069 51.000 52.037 0.054 0.000 0.789 248 A CB -0.188 18.832 19.000 0.033 0.000 1.035 248 A HN 0.388 nan 8.150 nan 0.000 0.491 249 P HA 0.112 nan 4.420 nan 0.000 0.274 249 P C -0.467 176.857 177.300 0.039 0.000 1.231 249 P CA -0.315 62.812 63.100 0.046 0.000 0.790 249 P CB 0.662 32.386 31.700 0.041 0.000 0.951 261 D N 0.066 120.512 120.400 0.075 0.000 2.265 261 D HA -0.151 4.486 4.640 -0.006 0.000 0.208 261 D C 1.574 177.924 176.300 0.083 0.000 0.977 261 D CA 0.912 54.948 54.000 0.061 0.000 0.871 261 D CB 0.260 41.094 40.800 0.057 0.000 0.925 261 D HN 0.494 nan 8.370 nan 0.000 0.485 262 Y N 1.083 121.385 120.300 0.004 0.000 2.184 262 Y HA -0.140 4.406 4.550 -0.006 0.000 0.290 262 Y C 2.193 178.097 175.900 0.006 0.000 1.129 262 Y CA 1.060 59.163 58.100 0.005 0.000 1.144 262 Y CB -0.356 38.107 38.460 0.005 0.000 0.995 262 Y HN -0.140 nan 8.280 nan 0.000 0.513 263 I N 0.684 121.163 120.570 -0.152 0.000 2.099 263 I HA -0.317 3.849 4.170 -0.006 0.000 0.239 263 I C 2.394 178.391 176.117 -0.200 0.000 1.066 263 I CA 1.848 63.004 61.300 -0.242 0.000 1.324 263 I CB -1.532 36.443 38.000 -0.043 0.000 1.037 263 I HN 0.311 nan 8.210 nan 0.000 0.401 264 Q N 1.080 120.821 119.800 -0.097 0.000 2.152 264 Q HA -0.157 4.180 4.340 -0.006 0.000 0.206 264 Q C 2.174 178.121 176.000 -0.088 0.000 0.985 264 Q CA 2.342 58.102 55.803 -0.071 0.000 0.863 264 Q CB -0.394 28.325 28.738 -0.032 0.000 0.904 264 Q HN 0.505 nan 8.270 nan 0.000 0.422 265 A N -1.068 121.687 122.820 -0.108 0.000 1.930 265 A HA -0.081 4.236 4.320 -0.006 0.000 0.217 265 A C 2.222 179.725 177.584 -0.134 0.000 1.175 265 A CA 1.450 53.430 52.037 -0.094 0.000 0.627 265 A CB -0.510 18.455 19.000 -0.059 0.000 0.815 265 A HN 0.261 nan 8.150 nan 0.000 0.443 266 V N -0.535 119.229 119.914 -0.249 0.000 2.453 266 V HA -0.156 3.961 4.120 -0.006 0.000 0.247 266 V C 2.420 178.435 176.094 -0.132 0.000 1.048 266 V CA 1.524 63.686 62.300 -0.231 0.000 1.049 266 V CB -0.573 31.015 31.823 -0.392 0.000 0.672 266 V HN 0.458 nan 8.190 nan 0.000 0.457 267 L N -0.115 121.034 121.223 -0.122 0.000 2.093 267 L HA -0.096 4.240 4.340 -0.006 0.000 0.208 267 L C 2.010 178.851 176.870 -0.048 0.000 1.085 267 L CA 1.705 56.503 54.840 -0.071 0.000 0.755 267 L CB -0.875 41.148 42.059 -0.061 0.000 0.904 267 L HN 0.292 nan 8.230 nan 0.000 0.435 268 D N -0.559 119.810 120.400 -0.051 0.000 2.384 268 D HA -0.130 4.507 4.640 -0.006 0.000 0.222 268 D C 2.136 178.421 176.300 -0.026 0.000 0.976 268 D CA 0.466 54.446 54.000 -0.034 0.000 0.915 268 D CB -0.047 40.733 40.800 -0.033 0.000 0.896 268 D HN 0.279 nan 8.370 nan 0.000 0.523 269 R N 0.379 120.862 120.500 -0.029 0.000 2.241 269 R HA -0.036 4.300 4.340 -0.006 0.000 0.224 269 R C 1.515 177.812 176.300 -0.006 0.000 1.101 269 R CA 0.405 56.496 56.100 -0.014 0.000 0.995 269 R CB 0.010 30.302 30.300 -0.014 0.000 0.870 269 R HN 0.126 nan 8.270 nan 0.000 0.463 270 N N 0.764 119.459 118.700 -0.008 0.000 2.223 270 N HA -0.129 4.608 4.740 -0.006 0.000 0.185 270 N C 1.679 177.188 175.510 -0.001 0.000 1.016 270 N CA 0.981 54.032 53.050 0.002 0.000 0.863 270 N CB -0.129 38.361 38.487 0.004 0.000 0.983 270 N HN 0.229 nan 8.380 nan 0.000 0.429 271 L N 0.603 121.821 121.223 -0.008 0.000 1.989 271 L HA -0.164 4.172 4.340 -0.006 0.000 0.211 271 L C 2.465 179.317 176.870 -0.030 0.000 1.071 271 L CA 1.490 56.322 54.840 -0.014 0.000 0.749 271 L CB -0.703 41.346 42.059 -0.016 0.000 0.890 271 L HN 0.121 nan 8.230 nan 0.000 0.431 272 A N -0.013 122.792 122.820 -0.025 0.000 1.883 272 A HA -0.232 4.084 4.320 -0.006 0.000 0.217 272 A C 2.111 179.662 177.584 -0.055 0.000 1.186 272 A CA 1.837 53.852 52.037 -0.037 0.000 0.624 272 A CB -0.541 18.463 19.000 0.007 0.000 0.822 272 A HN 0.485 nan 8.150 nan 0.000 0.444 273 E N -0.302 119.884 120.200 -0.023 0.000 2.418 273 E HA -0.082 4.265 4.350 -0.006 0.000 0.197 273 E C 1.370 177.955 176.600 -0.024 0.000 1.026 273 E CA 0.454 56.843 56.400 -0.018 0.000 0.862 273 E CB -0.260 29.449 29.700 0.015 0.000 0.799 273 E HN 0.706 nan 8.360 nan 0.000 0.518 274 N N 0.362 119.048 118.700 -0.022 0.000 2.512 274 N HA -0.046 4.690 4.740 -0.006 0.000 0.183 274 N C 1.542 177.047 175.510 -0.009 0.000 1.073 274 N CA 0.115 53.170 53.050 0.008 0.000 0.911 274 N CB 0.101 38.597 38.487 0.015 0.000 0.964 274 N HN 0.152 nan 8.380 nan 0.000 0.447 275 I N 0.296 120.799 120.570 -0.112 0.000 2.286 275 I HA -0.210 3.957 4.170 -0.006 0.000 0.248 275 I C 1.492 177.534 176.117 -0.125 0.000 1.115 275 I CA 1.083 62.273 61.300 -0.183 0.000 1.392 275 I CB -0.053 37.693 38.000 -0.423 0.000 1.065 275 I HN 0.141 nan 8.210 nan 0.000 0.418 276 S N -0.683 114.942 115.700 -0.125 0.000 2.588 276 S HA 0.234 4.700 4.470 -0.006 0.000 0.245 276 S C 1.332 176.053 174.600 0.200 0.000 1.021 276 S CA -0.652 57.563 58.200 0.025 0.000 1.006 276 S CB 0.353 63.514 63.200 -0.065 0.000 0.830 276 S HN 0.172 nan 8.310 nan 0.000 0.468 277 R N 1.908 122.535 120.500 0.210 0.000 2.057 277 R HA 0.158 4.494 4.340 -0.006 0.000 0.229 277 R C 0.308 176.853 176.300 0.409 0.000 1.136 277 R CA 1.568 57.829 56.100 0.268 0.000 0.952 277 R CB -0.325 30.105 30.300 0.216 0.000 0.848 277 R HN 0.446 nan 8.270 nan 0.000 0.430 278 V N 0.263 120.393 119.914 0.360 0.000 2.962 278 V HA 0.382 4.498 4.120 -0.006 0.000 0.313 278 V C -0.854 175.251 176.094 0.019 0.000 1.099 278 V CA -1.497 60.950 62.300 0.245 0.000 0.971 278 V CB 1.728 33.594 31.823 0.071 0.000 1.028 278 V HN 0.124 nan 8.190 nan 0.000 0.430 279 L N 2.291 123.272 121.223 -0.403 0.000 2.326 279 L HA 0.560 4.897 4.340 -0.006 0.000 0.278 279 L C -0.752 175.982 176.870 -0.226 0.000 1.092 279 L CA 0.083 54.379 54.840 -0.906 0.000 0.810 279 L CB 0.575 42.043 42.059 -0.984 0.000 1.153 279 L HN 0.617 nan 8.230 nan 0.000 0.439 280 Y N 6.398 126.591 120.300 -0.178 0.000 2.496 280 Y HA 0.227 4.773 4.550 -0.006 0.000 0.334 280 Y C -1.501 174.397 175.900 -0.004 0.000 1.080 280 Y CA -1.654 56.430 58.100 -0.026 0.000 1.355 280 Y CB 0.336 38.812 38.460 0.027 0.000 1.193 280 Y HN 0.542 nan 8.280 nan 0.000 0.523 281 P HA -0.002 nan 4.420 nan 0.000 0.254 281 P C -0.904 176.525 177.300 0.215 0.000 1.631 281 P CA 0.196 63.396 63.100 0.167 0.000 0.861 281 P CB 0.001 31.882 31.700 0.302 0.000 1.663 282 N N 1.269 120.110 118.700 0.236 0.000 2.408 282 N HA 0.195 4.931 4.740 -0.006 0.000 0.280 282 N C -0.822 174.862 175.510 0.290 0.000 1.002 282 N CA -0.122 53.105 53.050 0.295 0.000 0.907 282 N CB 1.583 40.300 38.487 0.382 0.000 1.161 282 N HN 0.092 nan 8.380 nan 0.000 0.488 283 D N 0.700 121.307 120.400 0.346 0.000 2.193 283 D HA 0.242 4.878 4.640 -0.006 0.000 0.244 283 D C -0.522 176.041 176.300 0.438 0.000 1.064 283 D CA -0.316 53.902 54.000 0.364 0.000 0.845 283 D CB 0.432 41.484 40.800 0.421 0.000 1.148 283 D HN 0.369 nan 8.370 nan 0.000 0.464 284 N N 2.165 121.042 118.700 0.295 0.000 2.699 284 N HA -0.249 4.488 4.740 -0.006 0.000 0.256 284 N C -1.526 174.190 175.510 0.344 0.000 0.993 284 N CA 0.748 53.934 53.050 0.226 0.000 0.759 284 N CB -0.783 37.745 38.487 0.069 0.000 0.906 284 N HN 0.314 nan 8.380 nan 0.000 0.541 285 F N 0.469 120.519 119.950 0.168 0.000 2.622 285 F HA 0.449 4.973 4.527 -0.006 0.000 0.318 285 F C -1.580 174.314 175.800 0.156 0.000 1.135 285 F CA -1.422 56.656 58.000 0.130 0.000 1.015 285 F CB 0.907 39.956 39.000 0.080 0.000 1.275 285 F HN -0.041 nan 8.300 nan 0.000 0.457 286 F N 5.744 125.189 119.950 -0.841 0.000 2.410 286 F HA 0.524 5.048 4.527 -0.006 0.000 0.349 286 F C -0.527 174.781 175.800 -0.819 0.000 1.117 286 F CA -0.409 57.196 58.000 -0.659 0.000 1.104 286 F CB 0.954 39.631 39.000 -0.539 0.000 1.122 286 F HN 0.576 nan 8.300 nan 0.000 0.483 287 E N 3.855 123.470 120.200 -0.975 0.000 2.207 287 E HA 0.329 4.676 4.350 -0.006 0.000 0.250 287 E C 0.131 176.106 176.600 -1.042 0.000 0.890 287 E CA -0.606 55.352 56.400 -0.737 0.000 0.749 287 E CB 0.931 30.597 29.700 -0.057 0.000 1.193 287 E HN 0.948 nan 8.360 nan 0.000 0.423 288 G N 5.034 113.008 108.800 -1.376 0.000 3.180 288 G HA2 -0.032 3.924 3.960 -0.006 0.000 0.252 288 G HA3 -0.032 3.924 3.960 -0.006 0.000 0.252 288 G C 0.098 174.933 174.900 -0.108 0.000 0.871 288 G CA -0.055 44.480 45.100 -0.942 0.000 1.979 288 G HN 0.183 nan 8.290 nan 0.000 0.624 289 K N 0.545 120.960 120.400 0.027 0.000 2.172 289 K HA 0.155 4.471 4.320 -0.006 0.000 0.276 289 K C 1.032 177.781 176.600 0.248 0.000 1.013 289 K CA -0.544 55.842 56.287 0.165 0.000 0.913 289 K CB 2.129 34.758 32.500 0.215 0.000 1.055 289 K HN 0.473 nan 8.250 nan 0.000 0.461 290 E N 2.082 122.396 120.200 0.190 0.000 2.070 290 E HA -0.244 4.102 4.350 -0.006 0.000 0.197 290 E C 1.534 178.163 176.600 0.049 0.000 1.004 290 E CA 1.238 57.702 56.400 0.108 0.000 0.805 290 E CB 0.101 29.861 29.700 0.101 0.000 0.744 290 E HN 0.412 nan 8.360 nan 0.000 0.451 291 L N 1.363 122.648 121.223 0.104 0.000 2.079 291 L HA -0.188 4.149 4.340 -0.006 0.000 0.210 291 L C 2.416 179.325 176.870 0.065 0.000 1.081 291 L CA 1.964 56.867 54.840 0.105 0.000 0.752 291 L CB -0.635 41.555 42.059 0.219 0.000 0.896 291 L HN 0.052 nan 8.230 nan 0.000 0.433 292 R N -0.542 119.920 120.500 -0.063 0.000 2.075 292 R HA -0.155 4.181 4.340 -0.006 0.000 0.232 292 R C 2.121 178.381 176.300 -0.067 0.000 1.126 292 R CA 1.887 57.830 56.100 -0.262 0.000 0.963 292 R CB -1.069 28.845 30.300 -0.645 0.000 0.858 292 R HN 0.417 nan 8.270 nan 0.000 0.435 293 L N 0.979 122.101 121.223 -0.169 0.000 2.046 293 L HA -0.083 4.254 4.340 -0.006 0.000 0.208 293 L C 1.665 178.457 176.870 -0.129 0.000 1.077 293 L CA 1.916 56.468 54.840 -0.480 0.000 0.747 293 L CB -0.439 41.102 42.059 -0.863 0.000 0.896 293 L HN 0.169 nan 8.230 nan 0.000 0.432 294 K N -0.899 119.489 120.400 -0.021 0.000 2.097 294 K HA -0.201 4.116 4.320 -0.006 0.000 0.206 294 K C 2.056 178.827 176.600 0.285 0.000 1.049 294 K CA 1.829 58.205 56.287 0.149 0.000 0.933 294 K CB -0.180 32.225 32.500 -0.158 0.000 0.717 294 K HN 0.555 nan 8.250 nan 0.000 0.442 295 Q N 0.674 120.583 119.800 0.182 0.000 2.046 295 Q HA -0.167 4.170 4.340 -0.006 0.000 0.200 295 Q C 1.977 178.163 176.000 0.310 0.000 0.975 295 Q CA 1.353 57.320 55.803 0.274 0.000 0.836 295 Q CB -0.059 28.842 28.738 0.271 0.000 0.896 295 Q HN 0.392 nan 8.270 nan 0.000 0.428 296 E N 0.156 120.474 120.200 0.197 0.000 2.058 296 E HA -0.235 4.112 4.350 -0.006 0.000 0.194 296 E C 1.840 178.524 176.600 0.140 0.000 0.997 296 E CA 1.282 57.776 56.400 0.156 0.000 0.801 296 E CB -0.258 29.490 29.700 0.080 0.000 0.746 296 E HN 0.325 nan 8.360 nan 0.000 0.450 297 Y N 0.881 121.191 120.300 0.017 0.000 2.163 297 Y HA -0.236 4.311 4.550 -0.006 0.000 0.288 297 Y C 2.049 177.960 175.900 0.019 0.000 1.136 297 Y CA 1.115 59.178 58.100 -0.062 0.000 1.147 297 Y CB -0.579 37.806 38.460 -0.125 0.000 0.987 297 Y HN 0.009 nan 8.280 nan 0.000 0.509 298 F N 0.031 119.983 119.950 0.004 0.000 2.032 298 F HA -0.338 4.185 4.527 -0.006 0.000 0.297 298 F C 2.532 178.186 175.800 -0.243 0.000 1.125 298 F CA 2.401 60.369 58.000 -0.053 0.000 1.202 298 F CB -1.276 37.827 39.000 0.171 0.000 0.958 298 F HN -0.061 nan 8.300 nan 0.000 0.491 299 V N -0.340 119.505 119.914 -0.115 0.000 2.490 299 V HA -0.216 3.900 4.120 -0.006 0.000 0.250 299 V C 2.211 178.105 176.094 -0.334 0.000 1.061 299 V CA 1.793 63.947 62.300 -0.243 0.000 1.064 299 V CB -0.386 31.531 31.823 0.156 0.000 0.670 299 V HN 0.326 nan 8.190 nan 0.000 0.461 300 V N 0.075 119.820 119.914 -0.282 0.000 2.358 300 V HA -0.152 3.964 4.120 -0.006 0.000 0.246 300 V C 2.690 178.518 176.094 -0.443 0.000 1.047 300 V CA 1.960 64.095 62.300 -0.276 0.000 1.035 300 V CB -0.825 30.901 31.823 -0.162 0.000 0.658 300 V HN 0.640 nan 8.190 nan 0.000 0.452 301 A N -0.034 122.358 122.820 -0.713 0.000 1.841 301 A HA -0.096 4.221 4.320 -0.006 0.000 0.214 301 A C 2.446 179.651 177.584 -0.633 0.000 1.195 301 A CA 2.076 53.698 52.037 -0.691 0.000 0.611 301 A CB -1.012 17.411 19.000 -0.962 0.000 0.835 301 A HN 0.547 nan 8.150 nan 0.000 0.443 302 A N -0.867 121.408 122.820 -0.909 0.000 1.873 302 A HA -0.161 4.156 4.320 -0.006 0.000 0.218 302 A C 2.339 179.383 177.584 -0.900 0.000 1.193 302 A CA 2.663 53.974 52.037 -1.209 0.000 0.629 302 A CB -1.572 16.081 19.000 -2.244 0.000 0.826 302 A HN 0.456 nan 8.150 nan 0.000 0.447 303 T N 0.623 114.748 114.554 -0.715 0.000 2.607 303 T HA -0.146 4.200 4.350 -0.006 0.000 0.267 303 T C 1.827 176.246 174.700 -0.468 0.000 1.049 303 T CA 1.510 63.357 62.100 -0.422 0.000 1.162 303 T CB -0.384 68.263 68.868 -0.370 0.000 0.863 303 T HN 0.228 nan 8.240 nan 0.000 0.424 304 L N 1.206 122.202 121.223 -0.377 0.000 2.042 304 L HA -0.155 4.181 4.340 -0.006 0.000 0.210 304 L C 2.675 179.407 176.870 -0.230 0.000 1.076 304 L CA 1.851 56.516 54.840 -0.291 0.000 0.749 304 L CB -1.327 40.600 42.059 -0.221 0.000 0.893 304 L HN 0.471 nan 8.230 nan 0.000 0.432 305 Q N -0.635 119.031 119.800 -0.223 0.000 2.061 305 Q HA -0.259 4.077 4.340 -0.006 0.000 0.204 305 Q C 1.911 177.887 176.000 -0.040 0.000 0.984 305 Q CA 1.913 57.644 55.803 -0.120 0.000 0.846 305 Q CB -0.147 28.507 28.738 -0.141 0.000 0.902 305 Q HN 0.406 nan 8.270 nan 0.000 0.421 306 D N 0.425 120.803 120.400 -0.037 0.000 2.149 306 D HA -0.127 4.509 4.640 -0.006 0.000 0.198 306 D C 1.634 177.922 176.300 -0.020 0.000 0.990 306 D CA 0.934 54.986 54.000 0.085 0.000 0.839 306 D CB -0.033 40.966 40.800 0.330 0.000 0.948 306 D HN 0.182 nan 8.370 nan 0.000 0.460 307 I N 0.174 120.626 120.570 -0.197 0.000 2.252 307 I HA -0.211 3.956 4.170 -0.006 0.000 0.245 307 I C 2.024 178.188 176.117 0.079 0.000 1.102 307 I CA 0.386 61.525 61.300 -0.268 0.000 1.385 307 I CB -0.079 37.580 38.000 -0.569 0.000 1.064 307 I HN 0.099 nan 8.210 nan 0.000 0.414 308 I N 0.777 121.424 120.570 0.128 0.000 2.286 308 I HA -0.269 3.898 4.170 -0.006 0.000 0.248 308 I C 2.651 178.965 176.117 0.327 0.000 1.115 308 I CA 1.436 62.927 61.300 0.318 0.000 1.392 308 I CB -1.222 36.902 38.000 0.207 0.000 1.065 308 I HN 0.335 nan 8.210 nan 0.000 0.418 309 R N 1.298 121.918 120.500 0.200 0.000 2.070 309 R HA -0.195 4.142 4.340 -0.006 0.000 0.233 309 R C 2.518 178.926 176.300 0.180 0.000 1.137 309 R CA 1.661 57.872 56.100 0.186 0.000 0.945 309 R CB -0.325 30.082 30.300 0.178 0.000 0.845 309 R HN 0.161 nan 8.270 nan 0.000 0.430 310 R N -0.488 120.106 120.500 0.157 0.000 2.091 310 R HA -0.186 4.151 4.340 -0.006 0.000 0.238 310 R C 2.179 178.589 176.300 0.182 0.000 1.136 310 R CA 1.834 58.021 56.100 0.145 0.000 0.959 310 R CB -0.471 29.883 30.300 0.090 0.000 0.856 310 R HN 0.343 nan 8.270 nan 0.000 0.437 311 F N 1.536 121.548 119.950 0.102 0.000 2.134 311 F HA -0.141 4.383 4.527 -0.005 0.000 0.299 311 F C 1.653 177.477 175.800 0.040 0.000 1.097 311 F CA 1.644 59.703 58.000 0.098 0.000 1.264 311 F CB -0.014 39.135 39.000 0.247 0.000 1.001 311 F HN -0.097 nan 8.300 nan 0.000 0.479 312 K N -0.080 120.270 120.400 -0.083 0.000 2.217 312 K HA 0.070 4.387 4.320 -0.006 0.000 0.202 312 K C 1.878 178.393 176.600 -0.141 0.000 1.051 312 K CA 0.818 56.971 56.287 -0.225 0.000 0.952 312 K CB -0.285 32.207 32.500 -0.013 0.000 0.736 312 K HN 0.315 nan 8.250 nan 0.000 0.453 313 A N 0.978 123.789 122.820 -0.016 0.000 2.251 313 A HA 0.108 4.425 4.320 -0.006 0.000 0.209 313 A C 0.628 178.277 177.584 0.109 0.000 1.187 313 A CA 0.080 52.156 52.037 0.065 0.000 0.823 313 A CB 0.092 19.175 19.000 0.138 0.000 0.846 313 A HN 0.035 nan 8.150 nan 0.000 0.486 325 V N 1.720 121.629 119.914 -0.008 0.000 2.215 325 V HA -0.101 4.016 4.120 -0.006 0.000 0.249 325 V C 2.161 178.346 176.094 0.152 0.000 1.054 325 V CA 2.526 64.793 62.300 -0.056 0.000 1.012 325 V CB -1.333 30.317 31.823 -0.288 0.000 0.639 325 V HN 0.501 nan 8.190 nan 0.000 0.448 326 F N 0.706 120.809 119.950 0.254 0.000 2.481 326 F HA -0.171 4.352 4.527 -0.006 0.000 0.297 326 F C 2.065 177.848 175.800 -0.028 0.000 1.095 326 F CA 1.339 59.363 58.000 0.040 0.000 1.465 326 F CB -0.749 38.029 39.000 -0.369 0.000 1.098 326 F HN 0.212 nan 8.300 nan 0.000 0.585 327 D N 0.335 120.826 120.400 0.150 0.000 2.182 327 D HA -0.151 4.486 4.640 -0.006 0.000 0.201 327 D C 2.182 178.543 176.300 0.102 0.000 0.986 327 D CA 1.328 55.376 54.000 0.081 0.000 0.847 327 D CB -0.252 40.581 40.800 0.055 0.000 0.942 327 D HN 0.265 nan 8.370 nan 0.000 0.467 328 A N -0.804 122.122 122.820 0.177 0.000 2.275 328 A HA 0.077 4.394 4.320 -0.006 0.000 0.212 328 A C 1.644 179.324 177.584 0.160 0.000 1.201 328 A CA -0.277 51.861 52.037 0.169 0.000 0.843 328 A CB -0.678 18.438 19.000 0.194 0.000 0.873 328 A HN 0.166 nan 8.150 nan 0.000 0.492 329 F N 2.063 121.943 119.950 -0.116 0.000 2.063 329 F HA -0.146 4.377 4.527 -0.006 0.000 0.298 329 F C -0.855 174.833 175.800 -0.187 0.000 1.109 329 F CA 2.453 60.201 58.000 -0.421 0.000 1.212 329 F CB -0.906 37.831 39.000 -0.439 0.000 0.973 329 F HN 0.188 nan 8.300 nan 0.000 0.480 330 P HA -0.110 nan 4.420 nan 0.000 0.225 330 P C 0.534 177.745 177.300 -0.148 0.000 1.148 330 P CA 1.644 64.670 63.100 -0.123 0.000 0.779 330 P CB -0.054 31.616 31.700 -0.050 0.000 0.780 331 D N -1.648 118.693 120.400 -0.098 0.000 2.349 331 D HA 0.039 4.675 4.640 -0.006 0.000 0.214 331 D C 1.497 177.753 176.300 -0.073 0.000 1.063 331 D CA 0.475 54.436 54.000 -0.066 0.000 0.847 331 D CB 0.361 41.148 40.800 -0.022 0.000 0.933 331 D HN 0.200 nan 8.370 nan 0.000 0.513 332 Q N -0.215 119.506 119.800 -0.132 0.000 2.210 332 Q HA 0.175 4.512 4.340 -0.006 0.000 0.252 332 Q C -0.013 175.864 176.000 -0.205 0.000 0.811 332 Q CA 0.332 56.073 55.803 -0.103 0.000 0.953 332 Q CB 2.529 31.299 28.738 0.054 0.000 1.136 332 Q HN 0.031 nan 8.270 nan 0.000 0.491 333 V N 0.581 120.258 119.914 -0.396 0.000 2.735 333 V HA 0.838 4.954 4.120 -0.006 0.000 0.310 333 V C -1.009 174.907 176.094 -0.296 0.000 1.061 333 V CA -0.937 61.120 62.300 -0.406 0.000 0.913 333 V CB 1.934 33.196 31.823 -0.934 0.000 1.005 333 V HN 0.100 nan 8.190 nan 0.000 0.428 334 A N 5.151 127.877 122.820 -0.158 0.000 2.414 334 A HA 0.835 5.151 4.320 -0.006 0.000 0.286 334 A C -1.079 176.497 177.584 -0.014 0.000 1.073 334 A CA -0.315 51.670 52.037 -0.088 0.000 0.727 334 A CB 0.812 19.740 19.000 -0.120 0.000 1.215 334 A HN 0.737 nan 8.150 nan 0.000 0.430 335 I N 2.190 122.791 120.570 0.051 0.000 2.354 335 I HA 0.272 4.439 4.170 -0.006 0.000 0.286 335 I C -0.047 176.267 176.117 0.329 0.000 1.007 335 I CA -0.618 60.787 61.300 0.174 0.000 1.167 335 I CB 1.744 39.802 38.000 0.096 0.000 1.320 335 I HN 0.705 nan 8.210 nan 0.000 0.458 336 Q N 6.787 126.775 119.800 0.314 0.000 2.294 336 Q HA 0.419 4.756 4.340 -0.006 0.000 0.257 336 Q C -1.117 174.973 176.000 0.150 0.000 0.955 336 Q CA -0.089 55.934 55.803 0.366 0.000 0.936 336 Q CB 1.071 30.152 28.738 0.573 0.000 1.188 336 Q HN 0.574 nan 8.270 nan 0.000 0.420 337 L N 4.139 125.478 121.223 0.194 0.000 2.261 337 L HA 0.331 4.668 4.340 -0.006 0.000 0.289 337 L C 0.067 176.995 176.870 0.096 0.000 1.059 337 L CA -0.670 54.241 54.840 0.119 0.000 0.816 337 L CB 0.487 42.631 42.059 0.142 0.000 1.191 337 L HN 0.593 nan 8.230 nan 0.000 0.431 338 N N 4.959 123.631 118.700 -0.047 0.000 2.448 338 N HA 0.053 4.790 4.740 -0.006 0.000 0.250 338 N C -0.094 175.473 175.510 0.095 0.000 1.136 338 N CA 0.497 53.573 53.050 0.044 0.000 0.953 338 N CB 0.024 38.435 38.487 -0.126 0.000 1.251 338 N HN 0.654 nan 8.380 nan 0.000 0.502 339 D N 0.221 120.774 120.400 0.254 0.000 4.658 339 D HA -0.226 4.411 4.640 -0.006 0.000 0.304 339 D C 0.029 176.464 176.300 0.226 0.000 2.363 339 D CA 1.429 55.565 54.000 0.227 0.000 1.179 339 D CB -0.446 40.208 40.800 -0.244 0.000 1.091 339 D HN 0.541 nan 8.370 nan 0.000 1.274 340 T N -2.024 112.620 114.554 0.150 0.000 3.169 340 T HA 0.101 4.448 4.350 -0.006 0.000 0.250 340 T C 1.574 176.377 174.700 0.172 0.000 1.111 340 T CA 1.218 63.354 62.100 0.059 0.000 1.010 340 T CB -0.494 68.370 68.868 -0.007 0.000 0.984 340 T HN 0.462 nan 8.240 nan 0.000 0.537 341 H N 2.413 121.565 119.070 0.138 0.000 2.352 341 H HA 0.003 4.556 4.556 -0.006 0.000 0.299 341 H C -0.775 174.623 175.328 0.115 0.000 1.097 341 H CA 0.903 57.045 56.048 0.157 0.000 1.311 341 H CB -0.546 29.317 29.762 0.168 0.000 1.377 341 H HN 0.442 nan 8.280 nan 0.000 0.504 342 P HA 0.227 nan 4.420 nan 0.000 0.262 342 P C 0.566 177.845 177.300 -0.035 0.000 1.651 342 P CA 0.368 63.519 63.100 0.084 0.000 1.119 342 P CB 0.566 32.321 31.700 0.092 0.000 1.552 343 A N 0.930 123.721 122.820 -0.048 0.000 1.986 343 A HA -0.174 4.143 4.320 -0.006 0.000 0.220 343 A C 2.061 179.534 177.584 -0.184 0.000 1.171 343 A CA 1.307 53.246 52.037 -0.164 0.000 0.640 343 A CB -1.499 17.419 19.000 -0.137 0.000 0.811 343 A HN 0.237 nan 8.150 nan 0.000 0.451 344 L N -0.902 120.254 121.223 -0.112 0.000 2.349 344 L HA -0.230 4.107 4.340 -0.006 0.000 0.220 344 L C 2.920 179.742 176.870 -0.080 0.000 1.130 344 L CA 0.607 55.389 54.840 -0.095 0.000 0.791 344 L CB -0.519 41.495 42.059 -0.075 0.000 0.918 344 L HN 0.485 nan 8.230 nan 0.000 0.444 345 A N 0.466 123.190 122.820 -0.159 0.000 1.940 345 A HA -0.193 4.123 4.320 -0.006 0.000 0.219 345 A C 2.183 179.609 177.584 -0.263 0.000 1.176 345 A CA 1.466 53.404 52.037 -0.165 0.000 0.631 345 A CB -0.468 18.429 19.000 -0.172 0.000 0.814 345 A HN 0.366 nan 8.150 nan 0.000 0.446 346 I N 0.354 120.594 120.570 -0.551 0.000 2.113 346 I HA -0.154 4.012 4.170 -0.006 0.000 0.238 346 I C -0.354 175.733 176.117 -0.050 0.000 1.070 346 I CA 1.624 62.676 61.300 -0.413 0.000 1.332 346 I CB -1.058 36.707 38.000 -0.392 0.000 1.044 346 I HN 0.252 nan 8.210 nan 0.000 0.402 347 P HA -0.171 nan 4.420 nan 0.000 0.226 347 P C 1.182 178.486 177.300 0.007 0.000 1.153 347 P CA 1.436 64.544 63.100 0.013 0.000 0.777 347 P CB 0.039 31.759 31.700 0.032 0.000 0.794 348 E N 0.396 120.659 120.200 0.105 0.000 2.107 348 E HA -0.129 4.217 4.350 -0.006 0.000 0.191 348 E C 1.868 178.430 176.600 -0.064 0.000 0.982 348 E CA 0.597 57.090 56.400 0.156 0.000 0.809 348 E CB -1.168 28.645 29.700 0.187 0.000 0.756 348 E HN 0.045 nan 8.360 nan 0.000 0.459 349 L N -0.158 121.000 121.223 -0.110 0.000 2.156 349 L HA 0.001 4.338 4.340 -0.006 0.000 0.208 349 L C 1.960 178.530 176.870 -0.499 0.000 1.095 349 L CA 1.462 56.063 54.840 -0.399 0.000 0.770 349 L CB -0.350 41.535 42.059 -0.291 0.000 0.914 349 L HN 0.199 nan 8.230 nan 0.000 0.439 350 M N -0.899 118.568 119.600 -0.222 0.000 2.200 350 M HA -0.140 4.336 4.480 -0.006 0.000 0.265 350 M C 2.395 178.603 176.300 -0.153 0.000 1.066 350 M CA 1.327 56.525 55.300 -0.171 0.000 1.127 350 M CB -1.054 31.461 32.600 -0.143 0.000 1.379 350 M HN 0.316 nan 8.290 nan 0.000 0.420 351 R N 0.565 120.959 120.500 -0.178 0.000 2.073 351 R HA -0.104 4.233 4.340 -0.006 0.000 0.234 351 R C 2.097 178.331 176.300 -0.110 0.000 1.134 351 R CA 1.394 57.392 56.100 -0.169 0.000 0.952 351 R CB -0.202 29.930 30.300 -0.279 0.000 0.850 351 R HN 0.280 nan 8.270 nan 0.000 0.433 352 I N 0.008 120.484 120.570 -0.156 0.000 2.142 352 I HA -0.297 3.870 4.170 -0.006 0.000 0.240 352 I C 2.151 178.214 176.117 -0.089 0.000 1.078 352 I CA 1.512 62.727 61.300 -0.142 0.000 1.343 352 I CB -0.412 37.441 38.000 -0.246 0.000 1.046 352 I HN 0.216 nan 8.210 nan 0.000 0.405 353 F N 0.267 120.018 119.950 -0.331 0.000 2.091 353 F HA -0.273 4.250 4.527 -0.006 0.000 0.299 353 F C 2.465 178.116 175.800 -0.249 0.000 1.103 353 F CA 1.021 58.772 58.000 -0.414 0.000 1.228 353 F CB -0.228 38.510 39.000 -0.437 0.000 0.984 353 F HN -0.079 nan 8.300 nan 0.000 0.477 354 V N -0.830 119.102 119.914 0.030 0.000 2.500 354 V HA -0.175 3.941 4.120 -0.006 0.000 0.243 354 V C 1.488 177.602 176.094 0.034 0.000 1.039 354 V CA 1.550 63.868 62.300 0.031 0.000 1.053 354 V CB -0.390 31.473 31.823 0.067 0.000 0.695 354 V HN 0.190 nan 8.190 nan 0.000 0.463 355 D N -0.011 120.400 120.400 0.018 0.000 2.183 355 D HA 0.075 4.711 4.640 -0.006 0.000 0.205 355 D C 1.994 178.310 176.300 0.026 0.000 0.962 355 D CA 1.175 55.191 54.000 0.026 0.000 0.849 355 D CB 0.288 41.098 40.800 0.017 0.000 0.978 355 D HN 0.387 nan 8.370 nan 0.000 0.488 356 I N 0.482 121.062 120.570 0.017 0.000 2.810 356 I HA -0.021 4.146 4.170 -0.006 0.000 0.262 356 I C 1.663 177.803 176.117 0.038 0.000 1.131 356 I CA 0.432 61.750 61.300 0.029 0.000 1.453 356 I CB 0.271 38.289 38.000 0.029 0.000 1.161 356 I HN -0.232 nan 8.210 nan 0.000 0.444 357 E N 0.927 121.134 120.200 0.012 0.000 2.474 357 E HA 0.008 4.354 4.350 -0.006 0.000 0.194 357 E C 0.063 176.670 176.600 0.012 0.000 1.041 357 E CA 0.101 56.511 56.400 0.018 0.000 0.874 357 E CB 0.224 29.846 29.700 -0.130 0.000 0.914 357 E HN 0.175 nan 8.360 nan 0.000 0.498 358 K N 0.323 120.727 120.400 0.008 0.000 3.071 358 K HA -0.182 4.134 4.320 -0.006 0.000 0.265 358 K C -0.046 176.554 176.600 0.000 0.000 1.060 358 K CA 0.449 56.747 56.287 0.017 0.000 0.767 358 K CB -2.447 30.073 32.500 0.033 0.000 1.241 358 K HN 0.235 nan 8.250 nan 0.000 0.486 359 L N 0.627 121.824 121.223 -0.044 0.000 2.399 359 L HA 0.328 4.664 4.340 -0.006 0.000 0.266 359 L C -1.597 175.268 176.870 -0.009 0.000 1.114 359 L CA -2.125 52.672 54.840 -0.071 0.000 0.804 359 L CB 0.290 42.214 42.059 -0.225 0.000 1.146 359 L HN -0.154 nan 8.230 nan 0.000 0.451 360 P HA -0.023 nan 4.420 nan 0.000 0.272 360 P C -0.176 177.202 177.300 0.130 0.000 1.223 360 P CA -0.235 62.916 63.100 0.085 0.000 0.784 360 P CB 0.498 32.244 31.700 0.076 0.000 0.923 361 W N 2.085 123.398 121.300 0.023 0.000 2.321 361 W HA -0.263 4.394 4.660 -0.006 0.000 0.306 361 W C 2.479 179.063 176.519 0.108 0.000 1.217 361 W CA 2.890 60.263 57.345 0.047 0.000 1.257 361 W CB -0.851 28.609 29.460 0.000 0.000 1.145 361 W HN 0.446 nan 8.180 nan 0.000 0.509 362 S N 0.041 115.946 115.700 0.340 0.000 2.359 362 S HA -0.327 4.139 4.470 -0.006 0.000 0.222 362 S C 1.883 176.579 174.600 0.160 0.000 1.038 362 S CA 1.734 60.099 58.200 0.276 0.000 1.051 362 S CB -0.877 62.443 63.200 0.199 0.000 0.944 362 S HN 0.181 nan 8.310 nan 0.000 0.433 363 K N 2.244 122.685 120.400 0.068 0.000 2.026 363 K HA 0.144 4.461 4.320 -0.006 0.000 0.208 363 K C 2.310 178.862 176.600 -0.081 0.000 1.048 363 K CA 1.551 57.827 56.287 -0.018 0.000 0.929 363 K CB -1.265 31.197 32.500 -0.062 0.000 0.713 363 K HN 0.448 nan 8.250 nan 0.000 0.439 364 A N 0.660 123.414 122.820 -0.110 0.000 1.859 364 A HA -0.230 4.087 4.320 -0.006 0.000 0.217 364 A C 2.268 179.872 177.584 0.032 0.000 1.198 364 A CA 1.753 53.743 52.037 -0.078 0.000 0.629 364 A CB -1.457 17.509 19.000 -0.057 0.000 0.830 364 A HN 0.720 nan 8.150 nan 0.000 0.446 365 W N 0.891 121.999 121.300 -0.319 0.000 2.325 365 W HA -0.234 4.423 4.660 -0.006 0.000 0.299 365 W C 2.084 178.549 176.519 -0.091 0.000 1.215 365 W CA 2.079 59.237 57.345 -0.312 0.000 1.244 365 W CB -0.037 29.187 29.460 -0.393 0.000 1.140 365 W HN 0.667 nan 8.180 nan 0.000 0.523 366 E N 0.628 120.799 120.200 -0.047 0.000 2.031 366 E HA -0.259 4.087 4.350 -0.006 0.000 0.193 366 E C 2.281 178.796 176.600 -0.141 0.000 0.994 366 E CA 1.862 58.187 56.400 -0.125 0.000 0.800 366 E CB -0.835 28.850 29.700 -0.026 0.000 0.752 366 E HN 0.340 nan 8.360 nan 0.000 0.447 367 L N 0.769 121.950 121.223 -0.070 0.000 2.131 367 L HA -0.147 4.190 4.340 -0.006 0.000 0.210 367 L C 2.724 179.616 176.870 0.037 0.000 1.092 367 L CA 1.485 56.327 54.840 0.004 0.000 0.759 367 L CB -0.655 41.407 42.059 0.004 0.000 0.903 367 L HN 0.206 nan 8.230 nan 0.000 0.435 368 T N -0.685 113.869 114.554 0.001 0.000 2.674 368 T HA -0.240 4.107 4.350 -0.006 0.000 0.265 368 T C 1.906 176.563 174.700 -0.072 0.000 1.039 368 T CA 1.430 63.515 62.100 -0.025 0.000 1.150 368 T CB -0.221 68.642 68.868 -0.007 0.000 0.864 368 T HN 0.394 nan 8.240 nan 0.000 0.427 369 Q N 0.596 120.219 119.800 -0.295 0.000 2.170 369 Q HA -0.068 4.268 4.340 -0.006 0.000 0.203 369 Q C 2.235 178.193 176.000 -0.071 0.000 0.976 369 Q CA 1.141 56.809 55.803 -0.226 0.000 0.858 369 Q CB -0.161 28.330 28.738 -0.412 0.000 0.907 369 Q HN 0.462 nan 8.270 nan 0.000 0.433 370 K N -0.485 119.825 120.400 -0.149 0.000 2.365 370 K HA -0.023 4.294 4.320 -0.006 0.000 0.199 370 K C 1.732 178.198 176.600 -0.223 0.000 1.045 370 K CA 1.095 57.236 56.287 -0.243 0.000 0.962 370 K CB 0.274 32.669 32.500 -0.175 0.000 0.759 370 K HN 0.115 nan 8.250 nan 0.000 0.469 371 T N 0.071 114.549 114.554 -0.126 0.000 2.983 371 T HA 0.111 4.458 4.350 -0.006 0.000 0.250 371 T C 0.408 175.032 174.700 -0.127 0.000 1.037 371 T CA 0.434 62.415 62.100 -0.198 0.000 1.142 371 T CB 0.031 68.698 68.868 -0.335 0.000 0.876 371 T HN -0.060 nan 8.240 nan 0.000 0.455 372 F N 1.415 121.441 119.950 0.127 0.000 2.371 372 F HA 0.613 5.137 4.527 -0.006 0.000 0.329 372 F C 0.451 176.372 175.800 0.202 0.000 1.107 372 F CA -1.059 57.025 58.000 0.140 0.000 1.137 372 F CB 0.794 39.818 39.000 0.040 0.000 1.214 372 F HN 0.036 nan 8.300 nan 0.000 0.536 373 A N 2.382 125.443 122.820 0.401 0.000 2.455 373 A HA 0.599 4.916 4.320 -0.006 0.000 0.300 373 A C -2.251 175.476 177.584 0.237 0.000 1.040 373 A CA -0.559 51.596 52.037 0.196 0.000 0.697 373 A CB 1.083 20.222 19.000 0.231 0.000 1.265 373 A HN 0.658 nan 8.150 nan 0.000 0.407 374 Y N 1.116 121.391 120.300 -0.041 0.000 2.429 374 Y HA 0.731 5.278 4.550 -0.006 0.000 0.342 374 Y C -0.465 175.399 175.900 -0.059 0.000 1.004 374 Y CA -0.682 57.380 58.100 -0.063 0.000 1.075 374 Y CB 2.124 40.485 38.460 -0.165 0.000 1.214 374 Y HN 0.554 nan 8.280 nan 0.000 0.455 375 T N 6.835 121.151 114.554 -0.398 0.000 2.786 375 T HA 0.237 4.583 4.350 -0.006 0.000 0.283 375 T C -0.864 173.268 174.700 -0.946 0.000 0.992 375 T CA -0.848 60.932 62.100 -0.534 0.000 0.954 375 T CB 0.368 69.166 68.868 -0.117 0.000 0.934 375 T HN 0.661 nan 8.240 nan 0.000 0.440 376 N N 1.708 119.876 118.700 -0.888 0.000 2.498 376 N HA 0.144 4.880 4.740 -0.006 0.000 0.287 376 N C 0.018 175.329 175.510 -0.331 0.000 1.097 376 N CA -0.267 52.482 53.050 -0.502 0.000 0.973 376 N CB 0.765 39.149 38.487 -0.172 0.000 1.153 376 N HN 0.672 nan 8.380 nan 0.000 0.472 377 H N 0.812 119.903 119.070 0.036 0.000 3.058 377 H HA 0.173 4.725 4.556 -0.006 0.000 0.266 377 H C -0.200 175.067 175.328 -0.102 0.000 1.135 377 H CA -0.052 55.961 56.048 -0.058 0.000 1.174 377 H CB 1.068 30.800 29.762 -0.049 0.000 1.581 377 H HN 0.542 nan 8.280 nan 0.000 0.553 378 T N 0.185 114.823 114.554 0.141 0.000 2.827 378 T HA 0.249 4.595 4.350 -0.006 0.000 0.328 378 T C 0.292 175.092 174.700 0.168 0.000 1.598 378 T CA -0.343 61.807 62.100 0.085 0.000 1.043 378 T CB 1.252 70.141 68.868 0.034 0.000 1.447 378 T HN -0.059 nan 8.240 nan 0.000 0.491 379 V N 1.406 121.371 119.914 0.084 0.000 3.477 379 V HA 0.542 4.658 4.120 -0.006 0.000 0.297 379 V C 0.598 176.686 176.094 -0.010 0.000 1.433 379 V CA -0.100 62.228 62.300 0.046 0.000 1.052 379 V CB -0.374 31.471 31.823 0.037 0.000 0.895 379 V HN 0.687 nan 8.190 nan 0.000 0.438 380 L N 2.125 123.332 121.223 -0.026 0.000 2.418 380 L HA 0.247 4.583 4.340 -0.006 0.000 0.274 380 L C -1.155 175.722 176.870 0.012 0.000 1.135 380 L CA -1.164 53.670 54.840 -0.010 0.000 0.870 380 L CB 0.714 42.754 42.059 -0.032 0.000 1.154 380 L HN 0.055 nan 8.230 nan 0.000 0.462 381 P HA -0.214 nan 4.420 nan 0.000 0.217 381 P C 1.169 178.475 177.300 0.009 0.000 1.148 381 P CA 1.037 64.134 63.100 -0.004 0.000 0.828 381 P CB 0.101 31.796 31.700 -0.007 0.000 0.783 382 E N -0.393 119.841 120.200 0.057 0.000 2.478 382 E HA -0.046 4.300 4.350 -0.006 0.000 0.198 382 E C 1.349 177.948 176.600 -0.000 0.000 1.046 382 E CA 1.104 57.543 56.400 0.066 0.000 0.870 382 E CB -0.637 29.206 29.700 0.238 0.000 0.818 382 E HN 0.187 nan 8.360 nan 0.000 0.527 383 A N 1.071 123.915 122.820 0.040 0.000 2.303 383 A HA 0.280 4.596 4.320 -0.006 0.000 0.217 383 A C 1.053 178.648 177.584 0.019 0.000 1.205 383 A CA -0.383 51.688 52.037 0.057 0.000 0.875 383 A CB 0.032 19.084 19.000 0.087 0.000 0.910 383 A HN 0.126 nan 8.150 nan 0.000 0.501 384 L N 1.471 122.665 121.223 -0.048 0.000 2.331 384 L HA 0.233 4.570 4.340 -0.006 0.000 0.278 384 L C -0.166 176.453 176.870 -0.418 0.000 1.106 384 L CA -0.307 54.456 54.840 -0.128 0.000 0.824 384 L CB 0.876 42.878 42.059 -0.094 0.000 1.142 384 L HN 0.273 nan 8.230 nan 0.000 0.443 385 E N 4.481 124.348 120.200 -0.554 0.000 2.223 385 E HA 0.239 4.586 4.350 -0.006 0.000 0.282 385 E C -0.656 175.353 176.600 -0.984 0.000 1.046 385 E CA -0.224 55.429 56.400 -1.245 0.000 0.857 385 E CB 0.719 29.960 29.700 -0.765 0.000 1.055 385 E HN 0.436 nan 8.360 nan 0.000 0.409 386 R N 3.928 123.655 120.500 -1.289 0.000 2.576 386 R HA 0.198 4.535 4.340 -0.006 0.000 0.283 386 R C -1.230 174.831 176.300 -0.398 0.000 1.493 386 R CA -0.620 55.151 56.100 -0.548 0.000 1.170 386 R CB 0.719 30.844 30.300 -0.290 0.000 1.189 386 R HN 0.428 nan 8.270 nan 0.000 0.542 387 W N 3.857 125.084 121.300 -0.122 0.000 2.287 387 W HA 0.279 4.936 4.660 -0.005 0.000 0.313 387 W C -1.971 174.568 176.519 0.034 0.000 1.267 387 W CA -2.113 55.261 57.345 0.048 0.000 1.201 387 W CB 0.530 29.996 29.460 0.009 0.000 1.196 387 W HN 0.234 nan 8.180 nan 0.000 0.536 388 P HA -0.063 nan 4.420 nan 0.000 0.267 388 P C 0.810 178.203 177.300 0.156 0.000 1.205 388 P CA 0.136 63.349 63.100 0.187 0.000 0.765 388 P CB 0.774 32.577 31.700 0.172 0.000 0.828 389 V N 2.783 122.763 119.914 0.109 0.000 2.324 389 V HA -0.278 3.838 4.120 -0.006 0.000 0.250 389 V C 1.640 177.774 176.094 0.068 0.000 1.060 389 V CA 2.049 64.392 62.300 0.072 0.000 1.042 389 V CB -0.908 30.975 31.823 0.099 0.000 0.650 389 V HN 0.565 nan 8.190 nan 0.000 0.450 390 D N -0.305 120.147 120.400 0.086 0.000 2.133 390 D HA -0.173 4.464 4.640 -0.006 0.000 0.195 390 D C 1.948 178.294 176.300 0.076 0.000 0.997 390 D CA 1.232 55.281 54.000 0.081 0.000 0.840 390 D CB -0.292 40.559 40.800 0.085 0.000 0.947 390 D HN 0.331 nan 8.370 nan 0.000 0.452 391 L N 0.311 121.589 121.223 0.091 0.000 2.005 391 L HA -0.130 4.206 4.340 -0.006 0.000 0.207 391 L C 2.328 179.200 176.870 0.004 0.000 1.072 391 L CA 1.176 56.064 54.840 0.080 0.000 0.744 391 L CB -0.379 41.769 42.059 0.148 0.000 0.895 391 L HN -0.098 nan 8.230 nan 0.000 0.433 392 V N -0.636 119.265 119.914 -0.023 0.000 2.490 392 V HA -0.274 3.842 4.120 -0.006 0.000 0.250 392 V C 2.483 178.510 176.094 -0.112 0.000 1.061 392 V CA 1.793 64.019 62.300 -0.123 0.000 1.064 392 V CB -0.661 31.079 31.823 -0.138 0.000 0.670 392 V HN 0.549 nan 8.190 nan 0.000 0.461 393 E N 1.090 121.264 120.200 -0.043 0.000 2.072 393 E HA -0.269 4.078 4.350 -0.006 0.000 0.191 393 E C 2.180 178.788 176.600 0.013 0.000 0.985 393 E CA 1.584 57.973 56.400 -0.018 0.000 0.801 393 E CB 0.044 29.766 29.700 0.037 0.000 0.750 393 E HN 0.807 nan 8.360 nan 0.000 0.452 394 K N -0.426 120.004 120.400 0.050 0.000 2.314 394 K HA -0.033 4.283 4.320 -0.006 0.000 0.198 394 K C 1.953 178.620 176.600 0.112 0.000 1.045 394 K CA 0.530 56.896 56.287 0.132 0.000 0.988 394 K CB 0.050 32.662 32.500 0.187 0.000 0.783 394 K HN 0.060 nan 8.250 nan 0.000 0.484 395 L N 0.341 121.519 121.223 -0.075 0.000 2.121 395 L HA 0.211 4.548 4.340 -0.006 0.000 0.200 395 L C 0.166 176.934 176.870 -0.170 0.000 1.077 395 L CA 1.062 55.722 54.840 -0.300 0.000 0.766 395 L CB 0.276 42.147 42.059 -0.314 0.000 0.931 395 L HN 0.144 nan 8.230 nan 0.000 0.452 396 L N 1.883 122.955 121.223 -0.252 0.000 2.679 396 L HA 0.343 4.679 4.340 -0.006 0.000 0.238 396 L C -1.711 174.933 176.870 -0.378 0.000 1.330 396 L CA -1.296 53.292 54.840 -0.419 0.000 0.935 396 L CB -0.038 41.612 42.059 -0.681 0.000 1.243 396 L HN 0.089 nan 8.230 nan 0.000 0.484 397 P HA -0.202 nan 4.420 nan 0.000 0.215 397 P C 1.502 178.581 177.300 -0.367 0.000 1.153 397 P CA 1.127 64.078 63.100 -0.247 0.000 0.853 397 P CB 0.515 32.153 31.700 -0.103 0.000 0.788 398 R N -0.079 120.001 120.500 -0.700 0.000 2.115 398 R HA -0.153 4.184 4.340 -0.006 0.000 0.230 398 R C 2.196 178.187 176.300 -0.515 0.000 1.111 398 R CA 1.639 57.364 56.100 -0.625 0.000 0.976 398 R CB -1.530 28.230 30.300 -0.900 0.000 0.870 398 R HN 0.241 nan 8.270 nan 0.000 0.445 399 H N -0.774 117.964 119.070 -0.554 0.000 2.462 399 H HA 0.012 4.565 4.556 -0.006 0.000 0.292 399 H C 1.413 176.546 175.328 -0.324 0.000 1.049 399 H CA 1.268 57.078 56.048 -0.397 0.000 1.334 399 H CB 0.000 29.490 29.762 -0.454 0.000 1.404 399 H HN 0.128 nan 8.280 nan 0.000 0.544 400 L N 1.027 122.103 121.223 -0.246 0.000 2.093 400 L HA -0.087 4.249 4.340 -0.006 0.000 0.208 400 L C 1.684 178.317 176.870 -0.395 0.000 1.085 400 L CA 1.651 56.268 54.840 -0.372 0.000 0.755 400 L CB -0.295 41.570 42.059 -0.324 0.000 0.904 400 L HN 0.228 nan 8.230 nan 0.000 0.435 401 E N -0.470 119.643 120.200 -0.145 0.000 2.106 401 E HA -0.186 4.161 4.350 -0.006 0.000 0.192 401 E C 2.243 178.857 176.600 0.023 0.000 0.984 401 E CA 1.468 57.898 56.400 0.049 0.000 0.806 401 E CB -0.147 29.589 29.700 0.060 0.000 0.750 401 E HN 0.560 nan 8.360 nan 0.000 0.458 402 I N 0.848 121.386 120.570 -0.054 0.000 2.353 402 I HA -0.222 3.945 4.170 -0.006 0.000 0.248 402 I C 2.257 178.396 176.117 0.036 0.000 1.119 402 I CA 0.912 62.225 61.300 0.023 0.000 1.417 402 I CB -0.143 37.821 38.000 -0.060 0.000 1.078 402 I HN 0.086 nan 8.210 nan 0.000 0.421 403 I N -0.432 120.096 120.570 -0.071 0.000 2.353 403 I HA -0.278 3.889 4.170 -0.006 0.000 0.248 403 I C 2.417 178.530 176.117 -0.007 0.000 1.119 403 I CA 1.270 62.525 61.300 -0.074 0.000 1.417 403 I CB -0.372 37.523 38.000 -0.175 0.000 1.078 403 I HN 0.120 nan 8.210 nan 0.000 0.421 404 Y N 1.276 121.567 120.300 -0.016 0.000 2.145 404 Y HA -0.217 4.330 4.550 -0.006 0.000 0.286 404 Y C 2.665 178.523 175.900 -0.070 0.000 1.145 404 Y CA 0.915 58.996 58.100 -0.032 0.000 1.148 404 Y CB -0.747 37.686 38.460 -0.046 0.000 0.981 404 Y HN 0.126 nan 8.280 nan 0.000 0.507 405 E N 0.303 120.545 120.200 0.070 0.000 2.033 405 E HA -0.236 4.111 4.350 -0.006 0.000 0.199 405 E C 2.367 178.866 176.600 -0.168 0.000 1.011 405 E CA 1.764 58.072 56.400 -0.153 0.000 0.815 405 E CB -0.665 28.916 29.700 -0.198 0.000 0.755 405 E HN 0.450 nan 8.360 nan 0.000 0.451 406 I N 1.307 121.892 120.570 0.024 0.000 2.145 406 I HA -0.352 3.815 4.170 -0.006 0.000 0.244 406 I C 2.410 178.529 176.117 0.004 0.000 1.075 406 I CA 1.462 62.744 61.300 -0.031 0.000 1.332 406 I CB -0.467 37.489 38.000 -0.073 0.000 1.033 406 I HN 0.126 nan 8.210 nan 0.000 0.410 407 N N 0.631 119.375 118.700 0.072 0.000 2.025 407 N HA -0.271 4.466 4.740 -0.006 0.000 0.194 407 N C 1.825 177.414 175.510 0.131 0.000 1.044 407 N CA 1.699 54.845 53.050 0.161 0.000 0.851 407 N CB -0.226 38.370 38.487 0.181 0.000 1.036 407 N HN 0.210 nan 8.380 nan 0.000 0.422 408 Q N 0.707 120.529 119.800 0.037 0.000 2.077 408 Q HA -0.140 4.197 4.340 -0.006 0.000 0.206 408 Q C 1.603 177.576 176.000 -0.046 0.000 0.989 408 Q CA 1.817 57.604 55.803 -0.026 0.000 0.853 408 Q CB -0.127 28.553 28.738 -0.096 0.000 0.907 408 Q HN 0.224 nan 8.270 nan 0.000 0.418 409 K N -0.781 119.561 120.400 -0.097 0.000 2.097 409 K HA -0.191 4.125 4.320 -0.006 0.000 0.206 409 K C 2.137 178.762 176.600 0.043 0.000 1.049 409 K CA 1.595 57.830 56.287 -0.087 0.000 0.933 409 K CB -0.547 31.839 32.500 -0.190 0.000 0.717 409 K HN 0.482 nan 8.250 nan 0.000 0.442 410 H N 1.033 120.108 119.070 0.008 0.000 2.326 410 H HA -0.019 4.534 4.556 -0.006 0.000 0.301 410 H C 1.745 177.116 175.328 0.073 0.000 1.081 410 H CA 1.237 57.339 56.048 0.089 0.000 1.334 410 H CB 0.006 29.851 29.762 0.138 0.000 1.385 410 H HN -0.071 nan 8.280 nan 0.000 0.504 411 L N 0.751 121.942 121.223 -0.053 0.000 2.156 411 L HA -0.110 4.227 4.340 -0.006 0.000 0.208 411 L C 1.684 178.500 176.870 -0.089 0.000 1.095 411 L CA 1.393 56.164 54.840 -0.115 0.000 0.770 411 L CB -1.058 40.991 42.059 -0.016 0.000 0.914 411 L HN 0.391 nan 8.230 nan 0.000 0.439 412 D N -0.390 119.975 120.400 -0.058 0.000 2.149 412 D HA -0.210 4.426 4.640 -0.006 0.000 0.198 412 D C 2.286 178.555 176.300 -0.052 0.000 0.990 412 D CA 0.874 54.843 54.000 -0.051 0.000 0.839 412 D CB 0.127 40.897 40.800 -0.051 0.000 0.948 412 D HN 0.117 nan 8.370 nan 0.000 0.460 413 R N 0.772 121.242 120.500 -0.051 0.000 2.066 413 R HA -0.054 4.282 4.340 -0.006 0.000 0.232 413 R C 2.145 178.401 176.300 -0.074 0.000 1.131 413 R CA 0.762 56.838 56.100 -0.040 0.000 0.955 413 R CB -0.539 29.771 30.300 0.017 0.000 0.851 413 R HN 0.044 nan 8.270 nan 0.000 0.432 414 I N 0.403 120.908 120.570 -0.108 0.000 2.208 414 I HA -0.226 3.941 4.170 -0.006 0.000 0.245 414 I C 2.250 178.369 176.117 0.004 0.000 1.097 414 I CA 1.150 62.425 61.300 -0.042 0.000 1.363 414 I CB -1.246 36.689 38.000 -0.110 0.000 1.051 414 I HN 0.020 nan 8.210 nan 0.000 0.413 415 V N 1.592 121.489 119.914 -0.028 0.000 2.261 415 V HA -0.241 3.875 4.120 -0.006 0.000 0.246 415 V C 2.781 178.843 176.094 -0.053 0.000 1.047 415 V CA 1.885 64.175 62.300 -0.017 0.000 1.015 415 V CB -1.269 30.538 31.823 -0.026 0.000 0.642 415 V HN 0.489 nan 8.190 nan 0.000 0.446 416 A N -1.029 121.745 122.820 -0.077 0.000 2.186 416 A HA -0.069 4.248 4.320 -0.006 0.000 0.219 416 A C 2.117 179.595 177.584 -0.176 0.000 1.159 416 A CA 1.539 53.517 52.037 -0.098 0.000 0.680 416 A CB -0.388 18.567 19.000 -0.076 0.000 0.787 416 A HN 0.563 nan 8.150 nan 0.000 0.467 417 L N -3.315 117.739 121.223 -0.282 0.000 2.500 417 L HA 0.291 4.627 4.340 -0.006 0.000 0.219 417 L C -0.255 176.067 176.870 -0.912 0.000 1.057 417 L CA 0.233 54.693 54.840 -0.633 0.000 0.854 417 L CB 0.417 41.987 42.059 -0.815 0.000 1.078 417 L HN 0.346 nan 8.230 nan 0.000 0.480 418 F N 0.168 120.094 119.950 -0.041 0.000 2.794 418 F HA 0.305 4.829 4.527 -0.006 0.000 0.353 418 F C -1.816 173.960 175.800 -0.039 0.000 1.371 418 F CA -1.325 56.652 58.000 -0.039 0.000 1.173 418 F CB 0.641 39.612 39.000 -0.049 0.000 1.693 418 F HN -0.186 nan 8.300 nan 0.000 0.606 419 P HA -0.078 nan 4.420 nan 0.000 0.236 419 P C 0.442 177.765 177.300 0.039 0.000 1.172 419 P CA 1.079 64.198 63.100 0.031 0.000 0.759 419 P CB 0.308 32.007 31.700 -0.002 0.000 0.843 420 K N -1.171 119.267 120.400 0.063 0.000 2.474 420 K HA 0.060 4.376 4.320 -0.006 0.000 0.202 420 K C 0.588 177.206 176.600 0.031 0.000 1.248 420 K CA -0.171 56.140 56.287 0.039 0.000 0.946 420 K CB 0.187 32.708 32.500 0.035 0.000 1.102 420 K HN -0.107 nan 8.250 nan 0.000 0.541 421 D N 2.330 122.756 120.400 0.044 0.000 2.489 421 D HA 0.002 4.638 4.640 -0.006 0.000 0.237 421 D C 0.916 177.215 176.300 -0.003 0.000 1.212 421 D CA 0.060 54.059 54.000 -0.001 0.000 1.058 421 D CB 0.577 41.346 40.800 -0.051 0.000 1.098 421 D HN -0.159 nan 8.370 nan 0.000 0.509 422 V N 2.440 122.353 119.914 -0.002 0.000 2.515 422 V HA -0.210 3.907 4.120 -0.006 0.000 0.250 422 V C 2.052 178.141 176.094 -0.007 0.000 1.058 422 V CA 1.513 63.813 62.300 -0.001 0.000 1.064 422 V CB -0.478 31.346 31.823 0.000 0.000 0.675 422 V HN 0.425 nan 8.190 nan 0.000 0.461 423 D N 0.211 120.601 120.400 -0.017 0.000 2.218 423 D HA -0.205 4.432 4.640 -0.006 0.000 0.204 423 D C 2.261 178.543 176.300 -0.030 0.000 0.976 423 D CA 1.057 55.046 54.000 -0.018 0.000 0.853 423 D CB -0.084 40.701 40.800 -0.026 0.000 0.939 423 D HN 0.313 nan 8.370 nan 0.000 0.481 424 R N -0.364 120.103 120.500 -0.056 0.000 2.096 424 R HA -0.020 4.317 4.340 -0.006 0.000 0.235 424 R C 2.272 178.536 176.300 -0.059 0.000 1.127 424 R CA 0.861 56.905 56.100 -0.093 0.000 0.968 424 R CB -0.256 29.960 30.300 -0.141 0.000 0.861 424 R HN 0.233 nan 8.270 nan 0.000 0.440 425 L N 0.593 121.801 121.223 -0.025 0.000 1.989 425 L HA -0.230 4.106 4.340 -0.006 0.000 0.211 425 L C 2.673 179.566 176.870 0.038 0.000 1.071 425 L CA 2.118 56.957 54.840 -0.003 0.000 0.749 425 L CB -0.545 41.517 42.059 0.005 0.000 0.890 425 L HN 0.336 nan 8.230 nan 0.000 0.431 426 R N -0.001 120.526 120.500 0.045 0.000 2.148 426 R HA -0.119 4.218 4.340 -0.006 0.000 0.223 426 R C 2.163 178.535 176.300 0.121 0.000 1.088 426 R CA 0.955 57.103 56.100 0.080 0.000 0.985 426 R CB -0.357 29.978 30.300 0.059 0.000 0.880 426 R HN 0.201 nan 8.270 nan 0.000 0.451 427 R N -0.064 120.490 120.500 0.089 0.000 2.236 427 R HA 0.176 4.512 4.340 -0.006 0.000 0.208 427 R C 1.532 177.953 176.300 0.202 0.000 1.036 427 R CA 1.172 57.350 56.100 0.130 0.000 1.001 427 R CB 0.127 30.451 30.300 0.041 0.000 0.896 427 R HN 0.318 nan 8.270 nan 0.000 0.464 428 M N -1.026 118.644 119.600 0.116 0.000 2.331 428 M HA 0.109 4.586 4.480 -0.006 0.000 0.266 428 M C 0.574 177.130 176.300 0.427 0.000 1.055 428 M CA -0.148 55.205 55.300 0.087 0.000 1.048 428 M CB 1.042 33.498 32.600 -0.240 0.000 1.460 428 M HN -0.096 nan 8.290 nan 0.000 0.519 429 S N 1.030 116.948 115.700 0.363 0.000 2.573 429 S HA 0.165 4.632 4.470 -0.006 0.000 0.277 429 S C 0.896 175.758 174.600 0.437 0.000 1.346 429 S CA -0.303 58.117 58.200 0.366 0.000 1.034 429 S CB 0.625 63.965 63.200 0.233 0.000 0.879 429 S HN 0.408 nan 8.310 nan 0.000 0.528 430 L N 2.490 123.906 121.223 0.322 0.000 2.591 430 L HA 0.277 4.613 4.340 -0.006 0.000 0.228 430 L C -0.543 176.420 176.870 0.154 0.000 1.133 430 L CA 0.131 55.112 54.840 0.234 0.000 0.880 430 L CB -0.367 41.776 42.059 0.141 0.000 1.033 430 L HN 0.480 nan 8.230 nan 0.000 0.450 431 I N -0.558 120.117 120.570 0.175 0.000 2.410 431 I HA 0.149 4.315 4.170 -0.006 0.000 0.286 431 I C 0.160 176.349 176.117 0.119 0.000 1.009 431 I CA -0.288 61.094 61.300 0.137 0.000 1.111 431 I CB 1.705 39.812 38.000 0.179 0.000 1.262 431 I HN -0.052 nan 8.210 nan 0.000 0.443 432 E N 6.196 126.445 120.200 0.081 0.000 1.865 432 E HA 0.081 4.428 4.350 -0.006 0.000 0.269 432 E C 0.421 177.060 176.600 0.066 0.000 1.177 432 E CA -0.150 56.289 56.400 0.066 0.000 0.932 432 E CB 0.547 30.265 29.700 0.031 0.000 1.066 432 E HN 0.413 nan 8.360 nan 0.000 0.405 433 E N 2.305 122.548 120.200 0.071 0.000 2.273 433 E HA -0.192 4.154 4.350 -0.006 0.000 0.198 433 E C 0.270 176.899 176.600 0.049 0.000 1.002 433 E CA 0.782 57.219 56.400 0.061 0.000 0.828 433 E CB -0.279 29.454 29.700 0.054 0.000 0.747 433 E HN 0.663 nan 8.360 nan 0.000 0.491 434 E N 0.222 120.449 120.200 0.045 0.000 2.485 434 E HA 0.002 4.349 4.350 -0.006 0.000 0.266 434 E C 1.406 178.029 176.600 0.038 0.000 1.090 434 E CA 0.265 56.688 56.400 0.037 0.000 0.987 434 E CB 0.125 29.844 29.700 0.033 0.000 0.974 434 E HN 0.005 nan 8.360 nan 0.000 0.455 435 G N 2.474 111.294 108.800 0.033 0.000 3.697 435 G HA2 -0.472 3.484 3.960 -0.006 0.000 0.307 435 G HA3 -0.472 3.484 3.960 -0.006 0.000 0.307 435 G C 0.682 175.606 174.900 0.040 0.000 1.169 435 G CA 1.350 46.470 45.100 0.034 0.000 1.169 435 G HN 0.713 nan 8.290 nan 0.000 1.307 436 S N 1.062 116.788 115.700 0.043 0.000 2.415 436 S HA 0.447 4.914 4.470 -0.006 0.000 0.313 436 S C 0.239 174.873 174.600 0.058 0.000 1.067 436 S CA -0.388 57.843 58.200 0.052 0.000 1.099 436 S CB 0.196 63.428 63.200 0.053 0.000 0.991 436 S HN 0.387 nan 8.310 nan 0.000 0.491 437 K N 4.201 124.640 120.400 0.065 0.000 2.405 437 K HA 0.034 4.350 4.320 -0.006 0.000 0.276 437 K C 0.351 177.000 176.600 0.081 0.000 1.099 437 K CA 0.628 56.961 56.287 0.076 0.000 1.120 437 K CB 0.221 32.776 32.500 0.091 0.000 0.877 437 K HN 0.550 nan 8.250 nan 0.000 0.472 438 R N 2.338 122.879 120.500 0.068 0.000 2.902 438 R HA 0.535 4.871 4.340 -0.006 0.000 0.258 438 R C -0.184 176.146 176.300 0.050 0.000 1.071 438 R CA -0.960 55.178 56.100 0.063 0.000 1.024 438 R CB 1.322 31.641 30.300 0.031 0.000 1.184 438 R HN 0.406 nan 8.270 nan 0.000 0.492 439 I N 1.467 122.063 120.570 0.045 0.000 2.330 439 I HA 0.150 4.317 4.170 -0.006 0.000 0.289 439 I C -0.172 175.926 176.117 -0.033 0.000 1.001 439 I CA -0.673 60.641 61.300 0.024 0.000 1.193 439 I CB 1.359 39.380 38.000 0.035 0.000 1.345 439 I HN 0.414 nan 8.210 nan 0.000 0.461 440 N N 7.820 126.482 118.700 -0.063 0.000 2.549 440 N HA 0.056 4.792 4.740 -0.006 0.000 0.267 440 N C 0.961 176.390 175.510 -0.135 0.000 1.182 440 N CA -0.238 52.711 53.050 -0.168 0.000 1.019 440 N CB 0.722 39.011 38.487 -0.331 0.000 1.380 440 N HN 0.544 nan 8.380 nan 0.000 0.505 441 M N 1.834 121.357 119.600 -0.127 0.000 2.195 441 M HA -0.160 4.317 4.480 -0.006 0.000 0.260 441 M C 2.003 178.173 176.300 -0.216 0.000 1.066 441 M CA 0.959 56.188 55.300 -0.117 0.000 1.089 441 M CB -1.701 30.869 32.600 -0.049 0.000 1.377 441 M HN 0.551 nan 8.290 nan 0.000 0.411 442 A N -0.347 122.352 122.820 -0.202 0.000 1.883 442 A HA -0.201 4.116 4.320 -0.006 0.000 0.217 442 A C 2.018 179.425 177.584 -0.296 0.000 1.186 442 A CA 1.787 53.677 52.037 -0.245 0.000 0.624 442 A CB -1.268 17.779 19.000 0.078 0.000 0.822 442 A HN 0.637 nan 8.150 nan 0.000 0.444 443 H N -1.668 117.239 119.070 -0.271 0.000 2.421 443 H HA -0.089 4.463 4.556 -0.006 0.000 0.298 443 H C 2.035 177.163 175.328 -0.333 0.000 1.087 443 H CA 0.961 56.785 56.048 -0.373 0.000 1.330 443 H CB 0.021 29.735 29.762 -0.079 0.000 1.388 443 H HN 0.431 nan 8.280 nan 0.000 0.526 444 L N 0.519 121.671 121.223 -0.120 0.000 2.056 444 L HA -0.139 4.197 4.340 -0.006 0.000 0.207 444 L C 2.172 178.904 176.870 -0.230 0.000 1.078 444 L CA 1.374 56.136 54.840 -0.129 0.000 0.749 444 L CB -0.747 41.244 42.059 -0.113 0.000 0.901 444 L HN 0.274 nan 8.230 nan 0.000 0.433 445 C N -0.367 118.685 119.300 -0.412 0.000 2.425 445 C HA -0.092 4.365 4.460 -0.006 0.000 0.277 445 C C 2.725 177.461 174.990 -0.423 0.000 1.280 445 C CA 0.779 59.462 59.018 -0.559 0.000 1.744 445 C CB -0.913 26.103 27.740 -1.206 0.000 1.989 445 C HN 0.590 nan 8.230 nan 0.000 0.491 446 I N 1.521 121.818 120.570 -0.455 0.000 2.315 446 I HA -0.150 4.016 4.170 -0.006 0.000 0.248 446 I C 2.407 178.403 176.117 -0.202 0.000 1.117 446 I CA 1.722 62.786 61.300 -0.393 0.000 1.404 446 I CB -0.433 37.193 38.000 -0.625 0.000 1.071 446 I HN 0.333 nan 8.210 nan 0.000 0.419 447 V N -1.770 118.068 119.914 -0.126 0.000 2.788 447 V HA 0.157 4.273 4.120 -0.006 0.000 0.251 447 V C 1.973 178.116 176.094 0.082 0.000 1.068 447 V CA 1.345 63.687 62.300 0.071 0.000 1.090 447 V CB -1.162 30.731 31.823 0.117 0.000 0.710 447 V HN 0.356 nan 8.190 nan 0.000 0.467 448 G N -0.024 108.782 108.800 0.010 0.000 3.233 448 G HA2 0.377 4.334 3.960 -0.006 0.000 0.227 448 G HA3 0.377 4.334 3.960 -0.006 0.000 0.227 448 G C 0.302 175.145 174.900 -0.094 0.000 1.175 448 G CA 0.483 45.508 45.100 -0.125 0.000 0.781 448 G HN 0.528 nan 8.290 nan 0.000 0.542 449 S N -0.344 115.312 115.700 -0.074 0.000 2.536 449 S HA 0.323 4.790 4.470 -0.006 0.000 0.287 449 S C 0.582 175.174 174.600 -0.014 0.000 1.101 449 S CA -0.728 57.484 58.200 0.020 0.000 0.950 449 S CB 1.364 64.555 63.200 -0.014 0.000 1.056 449 S HN 0.482 nan 8.310 nan 0.000 0.481 450 H N 0.025 119.067 119.070 -0.047 0.000 2.551 450 H HA 0.489 5.042 4.556 -0.006 0.000 0.266 450 H C 0.165 175.450 175.328 -0.072 0.000 0.964 450 H CA 0.319 56.331 56.048 -0.059 0.000 1.180 450 H CB 0.089 29.827 29.762 -0.039 0.000 1.408 450 H HN 0.544 nan 8.280 nan 0.000 0.563 451 A N 1.016 123.466 122.820 -0.617 0.000 2.455 451 A HA 0.580 4.897 4.320 -0.006 0.000 0.300 451 A C -1.345 176.003 177.584 -0.394 0.000 1.040 451 A CA -0.576 51.141 52.037 -0.534 0.000 0.697 451 A CB 2.257 20.858 19.000 -0.665 0.000 1.265 451 A HN 0.090 nan 8.150 nan 0.000 0.407 452 V N 3.808 123.444 119.914 -0.464 0.000 2.656 452 V HA 0.606 4.722 4.120 -0.006 0.000 0.307 452 V C -0.691 175.175 176.094 -0.381 0.000 1.051 452 V CA -0.745 61.264 62.300 -0.485 0.000 0.893 452 V CB 1.929 33.205 31.823 -0.912 0.000 0.999 452 V HN 1.047 nan 8.190 nan 0.000 0.426 453 N N 2.675 121.177 118.700 -0.331 0.000 2.284 453 N HA 0.619 5.356 4.740 -0.006 0.000 0.289 453 N C -0.396 175.009 175.510 -0.176 0.000 1.179 453 N CA -0.337 52.582 53.050 -0.218 0.000 0.774 453 N CB 2.823 41.171 38.487 -0.232 0.000 1.548 453 N HN 0.677 nan 8.380 nan 0.000 0.473 454 G N -0.870 107.896 108.800 -0.056 0.000 2.613 454 G HA2 0.462 4.418 3.960 -0.006 0.000 0.303 454 G HA3 0.462 4.418 3.960 -0.006 0.000 0.303 454 G C 0.542 175.528 174.900 0.144 0.000 1.312 454 G CA -0.456 44.714 45.100 0.117 0.000 1.036 454 G HN 0.691 nan 8.290 nan 0.000 0.513 455 V N -3.837 116.231 119.914 0.257 0.000 3.176 455 V HA 0.713 4.829 4.120 -0.006 0.000 0.332 455 V C 0.374 176.550 176.094 0.137 0.000 1.414 455 V CA 0.156 62.538 62.300 0.136 0.000 1.133 455 V CB -0.668 31.203 31.823 0.079 0.000 1.088 455 V HN 1.473 nan 8.190 nan 0.000 0.473 456 A N -0.460 122.461 122.820 0.169 0.000 2.583 456 A HA 0.548 4.864 4.320 -0.006 0.000 0.298 456 A C 0.401 178.061 177.584 0.127 0.000 1.055 456 A CA -0.292 51.829 52.037 0.140 0.000 0.714 456 A CB 1.096 20.169 19.000 0.121 0.000 1.277 456 A HN 0.038 nan 8.150 nan 0.000 0.406 457 K N 0.984 121.437 120.400 0.088 0.000 2.032 457 K HA -0.226 4.091 4.320 -0.006 0.000 0.218 457 K C 1.767 178.396 176.600 0.050 0.000 1.054 457 K CA 2.225 58.545 56.287 0.055 0.000 0.941 457 K CB -0.286 32.240 32.500 0.044 0.000 0.720 457 K HN 0.718 nan 8.250 nan 0.000 0.449 458 I N 0.635 121.241 120.570 0.060 0.000 2.208 458 I HA -0.356 3.811 4.170 -0.006 0.000 0.245 458 I C 2.559 178.713 176.117 0.062 0.000 1.097 458 I CA 1.824 63.152 61.300 0.047 0.000 1.363 458 I CB -0.145 37.880 38.000 0.043 0.000 1.051 458 I HN 0.286 nan 8.210 nan 0.000 0.413 459 H N 0.361 119.435 119.070 0.007 0.000 2.326 459 H HA -0.117 4.435 4.556 -0.006 0.000 0.301 459 H C 2.279 177.618 175.328 0.020 0.000 1.081 459 H CA 2.253 58.305 56.048 0.007 0.000 1.334 459 H CB -0.295 29.472 29.762 0.009 0.000 1.385 459 H HN 0.281 nan 8.280 nan 0.000 0.504 460 S N 0.018 115.646 115.700 -0.120 0.000 2.399 460 S HA -0.179 4.288 4.470 -0.006 0.000 0.231 460 S C 1.902 176.445 174.600 -0.095 0.000 1.022 460 S CA 1.149 59.263 58.200 -0.143 0.000 0.983 460 S CB -0.290 62.898 63.200 -0.021 0.000 0.803 460 S HN 0.634 nan 8.310 nan 0.000 0.480 461 D N 1.385 121.748 120.400 -0.062 0.000 2.117 461 D HA -0.093 4.544 4.640 -0.006 0.000 0.197 461 D C 1.813 178.066 176.300 -0.078 0.000 0.987 461 D CA 0.988 54.957 54.000 -0.051 0.000 0.829 461 D CB -0.061 40.722 40.800 -0.028 0.000 0.961 461 D HN 0.377 nan 8.370 nan 0.000 0.460 462 I N 0.445 120.958 120.570 -0.095 0.000 2.353 462 I HA -0.199 3.967 4.170 -0.006 0.000 0.248 462 I C 2.604 178.644 176.117 -0.128 0.000 1.119 462 I CA 0.310 61.550 61.300 -0.101 0.000 1.417 462 I CB -0.061 37.893 38.000 -0.076 0.000 1.078 462 I HN -0.077 nan 8.210 nan 0.000 0.421 463 V N 1.210 121.026 119.914 -0.164 0.000 2.307 463 V HA -0.292 3.825 4.120 -0.006 0.000 0.245 463 V C 2.531 178.652 176.094 0.044 0.000 1.045 463 V CA 1.985 64.275 62.300 -0.018 0.000 1.024 463 V CB -0.659 31.150 31.823 -0.023 0.000 0.651 463 V HN 0.418 nan 8.190 nan 0.000 0.449 464 K N 0.519 120.868 120.400 -0.084 0.000 1.984 464 K HA -0.184 4.132 4.320 -0.006 0.000 0.209 464 K C 2.236 178.677 176.600 -0.264 0.000 1.046 464 K CA 2.108 58.214 56.287 -0.302 0.000 0.934 464 K CB -0.370 32.040 32.500 -0.150 0.000 0.717 464 K HN 0.610 nan 8.250 nan 0.000 0.438 465 T N -1.492 112.973 114.554 -0.149 0.000 3.043 465 T HA 0.082 4.428 4.350 -0.006 0.000 0.263 465 T C 1.786 176.426 174.700 -0.100 0.000 1.094 465 T CA 0.344 62.375 62.100 -0.115 0.000 1.127 465 T CB 0.360 69.179 68.868 -0.080 0.000 0.905 465 T HN 0.019 nan 8.240 nan 0.000 0.490 466 K N 0.665 121.000 120.400 -0.108 0.000 2.324 466 K HA 0.324 4.640 4.320 -0.006 0.000 0.222 466 K C 2.243 178.755 176.600 -0.146 0.000 1.107 466 K CA 0.736 56.959 56.287 -0.108 0.000 0.873 466 K CB -0.415 32.026 32.500 -0.098 0.000 1.270 466 K HN 0.214 nan 8.250 nan 0.000 0.456 467 V N 1.239 121.014 119.914 -0.231 0.000 2.287 467 V HA -0.186 3.931 4.120 -0.006 0.000 0.248 467 V C 1.264 177.043 176.094 -0.525 0.000 1.053 467 V CA 1.694 63.713 62.300 -0.468 0.000 1.027 467 V CB -0.412 30.973 31.823 -0.729 0.000 0.646 467 V HN 0.171 nan 8.190 nan 0.000 0.447 468 F N -0.540 119.433 119.950 0.039 0.000 2.928 468 F HA 0.368 4.892 4.527 -0.005 0.000 0.337 468 F C 1.466 177.253 175.800 -0.021 0.000 1.259 468 F CA -0.361 57.722 58.000 0.139 0.000 1.267 468 F CB 0.030 39.136 39.000 0.177 0.000 0.986 468 F HN -0.103 nan 8.300 nan 0.000 0.507 469 K N 0.745 121.165 120.400 0.034 0.000 2.103 469 K HA -0.183 4.134 4.320 -0.006 0.000 0.207 469 K C 1.220 177.792 176.600 -0.046 0.000 1.048 469 K CA 1.974 58.229 56.287 -0.054 0.000 0.930 469 K CB 0.067 32.525 32.500 -0.071 0.000 0.716 469 K HN 0.208 nan 8.250 nan 0.000 0.444 470 D N -0.185 120.187 120.400 -0.046 0.000 2.178 470 D HA -0.152 4.485 4.640 -0.006 0.000 0.201 470 D C 1.628 177.787 176.300 -0.235 0.000 0.980 470 D CA 1.136 55.017 54.000 -0.198 0.000 0.842 470 D CB -0.137 40.473 40.800 -0.318 0.000 0.948 470 D HN 0.256 nan 8.370 nan 0.000 0.472 471 F N 1.162 121.152 119.950 0.068 0.000 2.219 471 F HA -0.072 4.451 4.527 -0.006 0.000 0.294 471 F C 2.701 178.596 175.800 0.158 0.000 1.086 471 F CA 0.755 58.855 58.000 0.167 0.000 1.330 471 F CB -0.496 38.676 39.000 0.288 0.000 1.047 471 F HN -0.096 nan 8.300 nan 0.000 0.495 472 S N -0.121 115.617 115.700 0.062 0.000 2.399 472 S HA -0.191 4.275 4.470 -0.006 0.000 0.231 472 S C 1.754 176.382 174.600 0.047 0.000 1.022 472 S CA 1.251 59.402 58.200 -0.083 0.000 0.983 472 S CB -0.676 62.263 63.200 -0.435 0.000 0.803 472 S HN 0.452 nan 8.310 nan 0.000 0.480 473 E N 1.080 121.291 120.200 0.019 0.000 2.058 473 E HA -0.089 4.258 4.350 -0.006 0.000 0.194 473 E C 2.082 178.744 176.600 0.103 0.000 0.997 473 E CA 1.372 57.792 56.400 0.033 0.000 0.801 473 E CB -0.294 29.394 29.700 -0.021 0.000 0.746 473 E HN 0.475 nan 8.360 nan 0.000 0.450 474 L N 0.445 121.751 121.223 0.138 0.000 2.072 474 L HA -0.098 4.238 4.340 -0.006 0.000 0.205 474 L C 0.511 177.490 176.870 0.182 0.000 1.079 474 L CA 1.127 56.075 54.840 0.179 0.000 0.752 474 L CB 0.304 42.480 42.059 0.196 0.000 0.906 474 L HN 0.005 nan 8.230 nan 0.000 0.436 475 E N -0.450 119.886 120.200 0.228 0.000 3.568 475 E HA 0.118 4.465 4.350 -0.006 0.000 0.213 475 E C -1.796 174.957 176.600 0.254 0.000 1.197 475 E CA -1.395 55.142 56.400 0.228 0.000 1.126 475 E CB 0.853 30.706 29.700 0.256 0.000 1.285 475 E HN 0.216 nan 8.360 nan 0.000 0.418 476 P HA -0.225 nan 4.420 nan 0.000 0.215 476 P C 0.604 178.005 177.300 0.167 0.000 1.157 476 P CA 1.299 64.491 63.100 0.153 0.000 0.874 476 P CB 0.383 32.137 31.700 0.091 0.000 0.790 477 D N 0.221 120.696 120.400 0.124 0.000 2.182 477 D HA -0.171 4.465 4.640 -0.006 0.000 0.201 477 D C 2.042 178.390 176.300 0.081 0.000 0.986 477 D CA 1.060 55.113 54.000 0.088 0.000 0.847 477 D CB -0.318 40.522 40.800 0.066 0.000 0.942 477 D HN 0.345 nan 8.370 nan 0.000 0.467 478 K N 0.232 120.694 120.400 0.104 0.000 2.020 478 K HA -0.161 4.156 4.320 -0.006 0.000 0.212 478 K C 0.353 176.877 176.600 -0.126 0.000 1.050 478 K CA 0.744 57.020 56.287 -0.019 0.000 0.929 478 K CB -0.149 32.331 32.500 -0.033 0.000 0.714 478 K HN -0.080 nan 8.250 nan 0.000 0.443 479 F N 1.983 121.917 119.950 -0.027 0.000 2.504 479 F HA 0.144 4.668 4.527 -0.005 0.000 0.369 479 F C 0.520 176.277 175.800 -0.072 0.000 1.082 479 F CA 0.171 58.140 58.000 -0.051 0.000 1.216 479 F CB 0.946 39.937 39.000 -0.015 0.000 1.108 479 F HN 0.169 nan 8.300 nan 0.000 0.554 480 Q N 1.608 121.409 119.800 0.001 0.000 2.892 480 Q HA 0.414 4.750 4.340 -0.006 0.000 0.307 480 Q C -0.980 174.980 176.000 -0.066 0.000 1.039 480 Q CA -1.297 54.474 55.803 -0.055 0.000 0.792 480 Q CB 2.664 31.311 28.738 -0.151 0.000 1.504 480 Q HN 0.619 nan 8.270 nan 0.000 0.487 481 N N 0.427 119.072 118.700 -0.092 0.000 2.225 481 N HA 0.281 5.018 4.740 -0.006 0.000 0.298 481 N C -1.646 173.783 175.510 -0.134 0.000 1.076 481 N CA -0.410 52.594 53.050 -0.076 0.000 0.792 481 N CB 1.212 39.682 38.487 -0.027 0.000 1.498 481 N HN 0.297 nan 8.380 nan 0.000 0.474 482 K N 2.645 122.979 120.400 -0.110 0.000 2.764 482 K HA 0.182 4.499 4.320 -0.006 0.000 0.239 482 K C -0.951 175.683 176.600 0.057 0.000 1.048 482 K CA -0.487 55.723 56.287 -0.129 0.000 1.057 482 K CB 1.079 33.321 32.500 -0.430 0.000 1.251 482 K HN 0.547 nan 8.250 nan 0.000 0.524 483 T N 2.081 116.680 114.554 0.076 0.000 2.908 483 T HA 0.017 4.364 4.350 -0.006 0.000 0.301 483 T C 0.866 175.700 174.700 0.223 0.000 1.019 483 T CA 0.521 62.711 62.100 0.149 0.000 1.152 483 T CB 0.257 69.216 68.868 0.153 0.000 0.966 483 T HN 0.357 nan 8.240 nan 0.000 0.540 484 N N 0.440 119.282 118.700 0.236 0.000 2.260 484 N HA 0.417 5.154 4.740 -0.006 0.000 0.230 484 N C 0.484 176.169 175.510 0.292 0.000 1.323 484 N CA -0.099 53.109 53.050 0.264 0.000 0.897 484 N CB 0.363 38.944 38.487 0.157 0.000 1.146 484 N HN 0.762 nan 8.380 nan 0.000 0.460 485 G N -0.777 108.192 108.800 0.282 0.000 2.649 485 G HA2 0.592 4.548 3.960 -0.006 0.000 0.290 485 G HA3 0.592 4.548 3.960 -0.006 0.000 0.290 485 G C -1.500 173.516 174.900 0.194 0.000 1.426 485 G CA -0.714 44.548 45.100 0.271 0.000 0.794 485 G HN 0.610 nan 8.290 nan 0.000 0.483 486 I N -2.355 118.325 120.570 0.184 0.000 2.865 486 I HA 0.749 4.916 4.170 -0.006 0.000 0.302 486 I C -0.398 175.874 176.117 0.258 0.000 1.140 486 I CA -0.910 60.495 61.300 0.176 0.000 1.021 486 I CB 2.449 40.449 38.000 -0.000 0.000 1.233 486 I HN 0.514 nan 8.210 nan 0.000 0.427 487 T N 4.596 119.353 114.554 0.338 0.000 2.794 487 T HA 0.368 4.715 4.350 -0.006 0.000 0.296 487 T C -1.413 173.393 174.700 0.176 0.000 0.949 487 T CA -1.624 60.596 62.100 0.200 0.000 1.101 487 T CB 0.786 69.713 68.868 0.100 0.000 0.905 487 T HN 0.653 nan 8.240 nan 0.000 0.516 488 P HA 0.067 nan 4.420 nan 0.000 0.242 488 P C 0.966 178.222 177.300 -0.073 0.000 1.197 488 P CA 0.211 63.345 63.100 0.057 0.000 0.765 488 P CB 0.405 32.137 31.700 0.053 0.000 0.936 489 R N 0.644 121.047 120.500 -0.161 0.000 2.051 489 R HA 0.026 4.362 4.340 -0.006 0.000 0.225 489 R C 2.708 178.856 176.300 -0.253 0.000 1.155 489 R CA 1.528 57.467 56.100 -0.269 0.000 0.945 489 R CB -1.141 28.989 30.300 -0.283 0.000 0.840 489 R HN 0.047 nan 8.270 nan 0.000 0.432 490 R N -0.824 119.474 120.500 -0.337 0.000 2.092 490 R HA -0.093 4.244 4.340 -0.006 0.000 0.231 490 R C 0.693 176.572 176.300 -0.701 0.000 1.119 490 R CA 1.438 57.175 56.100 -0.605 0.000 0.970 490 R CB -0.159 29.627 30.300 -0.857 0.000 0.864 490 R HN 0.280 nan 8.270 nan 0.000 0.440 491 W N 0.140 121.382 121.300 -0.096 0.000 3.305 491 W HA 0.314 4.971 4.660 -0.006 0.000 0.392 491 W C 0.909 177.385 176.519 -0.071 0.000 1.121 491 W CA -0.613 56.674 57.345 -0.096 0.000 1.909 491 W CB 0.501 29.905 29.460 -0.093 0.000 1.065 491 W HN 0.166 nan 8.180 nan 0.000 0.714 492 L N -2.124 119.140 121.223 0.067 0.000 1.848 492 L HA 0.048 4.384 4.340 -0.006 0.000 0.113 492 L C 1.861 178.737 176.870 0.010 0.000 1.456 492 L CA 0.059 54.939 54.840 0.066 0.000 1.065 492 L CB -0.694 41.432 42.059 0.112 0.000 2.149 492 L HN -0.180 nan 8.230 nan 0.000 0.462 493 L N 1.053 122.257 121.223 -0.032 0.000 2.042 493 L HA -0.249 4.087 4.340 -0.006 0.000 0.210 493 L C 2.455 179.280 176.870 -0.074 0.000 1.076 493 L CA 1.158 55.965 54.840 -0.055 0.000 0.749 493 L CB -0.518 41.462 42.059 -0.132 0.000 0.893 493 L HN 0.432 nan 8.230 nan 0.000 0.432 494 L N 0.910 122.057 121.223 -0.127 0.000 1.993 494 L HA -0.166 4.170 4.340 -0.006 0.000 0.206 494 L C 2.842 179.636 176.870 -0.126 0.000 1.074 494 L CA 2.444 57.194 54.840 -0.150 0.000 0.746 494 L CB -0.843 41.065 42.059 -0.251 0.000 0.896 494 L HN 0.575 nan 8.230 nan 0.000 0.435 495 C N -0.439 118.776 119.300 -0.142 0.000 2.456 495 C HA 0.073 4.529 4.460 -0.006 0.000 0.279 495 C C 1.290 176.257 174.990 -0.037 0.000 1.427 495 C CA 0.019 58.981 59.018 -0.093 0.000 1.778 495 C CB -1.242 26.458 27.740 -0.066 0.000 1.842 495 C HN 0.667 nan 8.230 nan 0.000 0.531 496 N N 0.985 119.672 118.700 -0.021 0.000 2.703 496 N HA 0.252 4.989 4.740 -0.006 0.000 0.283 496 N C -1.620 173.892 175.510 0.003 0.000 1.851 496 N CA -1.514 51.535 53.050 -0.002 0.000 0.826 496 N CB 0.665 39.160 38.487 0.014 0.000 1.239 496 N HN 0.255 nan 8.380 nan 0.000 0.495 497 P HA -0.124 nan 4.420 nan 0.000 0.216 497 P C 1.383 178.689 177.300 0.009 0.000 1.150 497 P CA 1.190 64.292 63.100 0.003 0.000 0.843 497 P CB 0.224 31.921 31.700 -0.005 0.000 0.787 498 G N 0.736 109.537 108.800 0.001 0.000 2.459 498 G HA2 -0.236 3.720 3.960 -0.006 0.000 0.217 498 G HA3 -0.236 3.720 3.960 -0.006 0.000 0.217 498 G C 1.695 176.589 174.900 -0.010 0.000 1.183 498 G CA 0.464 45.561 45.100 -0.006 0.000 0.776 498 G HN 0.253 nan 8.290 nan 0.000 0.552 499 L N 0.518 121.736 121.223 -0.008 0.000 2.046 499 L HA -0.029 4.307 4.340 -0.006 0.000 0.208 499 L C 3.294 180.163 176.870 -0.001 0.000 1.077 499 L CA 1.513 56.343 54.840 -0.018 0.000 0.747 499 L CB -0.397 41.657 42.059 -0.009 0.000 0.896 499 L HN 0.330 nan 8.230 nan 0.000 0.432 500 A N -0.224 122.622 122.820 0.043 0.000 1.883 500 A HA -0.312 4.004 4.320 -0.006 0.000 0.217 500 A C 2.163 179.819 177.584 0.120 0.000 1.186 500 A CA 1.999 54.111 52.037 0.125 0.000 0.624 500 A CB -0.688 18.402 19.000 0.149 0.000 0.822 500 A HN 0.604 nan 8.150 nan 0.000 0.444 501 E N -0.272 119.969 120.200 0.069 0.000 2.085 501 E HA -0.205 4.142 4.350 -0.006 0.000 0.194 501 E C 1.985 178.605 176.600 0.033 0.000 0.994 501 E CA 1.211 57.644 56.400 0.055 0.000 0.801 501 E CB -0.249 29.467 29.700 0.026 0.000 0.743 501 E HN 0.589 nan 8.360 nan 0.000 0.453 502 L N 0.710 121.935 121.223 0.003 0.000 1.989 502 L HA -0.233 4.104 4.340 -0.006 0.000 0.211 502 L C 2.481 179.341 176.870 -0.017 0.000 1.071 502 L CA 1.534 56.365 54.840 -0.014 0.000 0.749 502 L CB -0.290 41.739 42.059 -0.050 0.000 0.890 502 L HN 0.327 nan 8.230 nan 0.000 0.431 503 I N -0.153 120.378 120.570 -0.065 0.000 2.127 503 I HA -0.318 3.848 4.170 -0.006 0.000 0.241 503 I C 2.783 178.827 176.117 -0.121 0.000 1.075 503 I CA 1.357 62.540 61.300 -0.195 0.000 1.334 503 I CB -0.553 37.140 38.000 -0.512 0.000 1.040 503 I HN 0.313 nan 8.210 nan 0.000 0.405 504 A N -0.040 122.818 122.820 0.064 0.000 1.978 504 A HA -0.264 4.052 4.320 -0.006 0.000 0.220 504 A C 2.152 179.794 177.584 0.098 0.000 1.170 504 A CA 1.810 53.979 52.037 0.219 0.000 0.636 504 A CB -0.642 18.525 19.000 0.279 0.000 0.810 504 A HN 0.478 nan 8.150 nan 0.000 0.448 505 E N -1.241 118.988 120.200 0.048 0.000 2.511 505 E HA -0.056 4.291 4.350 -0.006 0.000 0.196 505 E C 1.059 177.661 176.600 0.004 0.000 1.066 505 E CA 0.470 56.888 56.400 0.029 0.000 0.871 505 E CB 0.183 29.895 29.700 0.020 0.000 0.863 505 E HN 0.322 nan 8.360 nan 0.000 0.520 506 K N -0.983 119.398 120.400 -0.032 0.000 2.511 506 K HA 0.168 4.484 4.320 -0.006 0.000 0.206 506 K C 1.426 178.061 176.600 0.059 0.000 1.333 506 K CA 0.371 56.613 56.287 -0.074 0.000 0.957 506 K CB 0.900 33.124 32.500 -0.459 0.000 1.172 506 K HN 0.218 nan 8.250 nan 0.000 0.547 507 I N -3.802 116.796 120.570 0.046 0.000 4.442 507 I HA 0.437 4.604 4.170 -0.006 0.000 0.331 507 I C 0.461 176.654 176.117 0.126 0.000 1.364 507 I CA -0.193 61.167 61.300 0.100 0.000 1.207 507 I CB 1.252 39.301 38.000 0.081 0.000 1.298 507 I HN 0.055 nan 8.210 nan 0.000 0.463 508 G N 2.113 110.997 108.800 0.141 0.000 2.566 508 G HA2 -0.168 3.788 3.960 -0.006 0.000 0.599 508 G HA3 -0.168 3.788 3.960 -0.006 0.000 0.599 508 G C -0.191 174.867 174.900 0.264 0.000 1.292 508 G CA 0.089 45.286 45.100 0.162 0.000 0.922 508 G HN 0.372 nan 8.290 nan 0.000 0.514 509 E N -0.423 119.868 120.200 0.152 0.000 2.276 509 E HA 0.065 4.412 4.350 -0.006 0.000 0.193 509 E C 1.638 178.195 176.600 -0.071 0.000 0.983 509 E CA 0.479 56.899 56.400 0.033 0.000 0.861 509 E CB 0.059 29.767 29.700 0.014 0.000 0.817 509 E HN 0.452 nan 8.360 nan 0.000 0.485 510 D N 1.116 121.546 120.400 0.050 0.000 2.218 510 D HA -0.256 4.381 4.640 -0.006 0.000 0.194 510 D C 1.735 178.057 176.300 0.036 0.000 1.007 510 D CA 1.435 55.464 54.000 0.048 0.000 0.879 510 D CB -0.483 40.369 40.800 0.086 0.000 0.918 510 D HN 0.476 nan 8.370 nan 0.000 0.449 511 Y N 0.054 120.377 120.300 0.038 0.000 2.465 511 Y HA -0.174 4.372 4.550 -0.005 0.000 0.289 511 Y C 2.066 177.973 175.900 0.013 0.000 1.150 511 Y CA 1.083 59.199 58.100 0.027 0.000 1.293 511 Y CB -1.038 37.437 38.460 0.025 0.000 0.977 511 Y HN 0.036 nan 8.280 nan 0.000 0.556 512 V N -0.241 119.334 119.914 -0.565 0.000 2.270 512 V HA -0.172 3.945 4.120 -0.006 0.000 0.245 512 V C 1.801 177.790 176.094 -0.175 0.000 1.043 512 V CA 1.910 63.928 62.300 -0.471 0.000 1.014 512 V CB -0.727 30.773 31.823 -0.538 0.000 0.645 512 V HN 0.363 nan 8.190 nan 0.000 0.447 513 K N 0.528 120.897 120.400 -0.051 0.000 2.417 513 K HA 0.181 4.498 4.320 -0.006 0.000 0.196 513 K C 0.006 176.624 176.600 0.030 0.000 1.023 513 K CA 0.631 56.936 56.287 0.029 0.000 1.122 513 K CB 0.150 32.700 32.500 0.083 0.000 0.850 513 K HN 0.560 nan 8.250 nan 0.000 0.521 514 D N 0.505 120.923 120.400 0.031 0.000 3.036 514 D HA 0.017 4.653 4.640 -0.006 0.000 0.244 514 D C 0.240 176.591 176.300 0.084 0.000 1.337 514 D CA -0.257 53.774 54.000 0.051 0.000 0.829 514 D CB 0.240 41.071 40.800 0.051 0.000 1.478 514 D HN -0.145 nan 8.370 nan 0.000 0.570 515 L N 1.464 122.739 121.223 0.088 0.000 2.263 515 L HA -0.098 4.238 4.340 -0.006 0.000 0.216 515 L C 2.130 179.062 176.870 0.103 0.000 1.111 515 L CA 1.893 56.812 54.840 0.132 0.000 0.773 515 L CB -0.620 41.509 42.059 0.115 0.000 0.906 515 L HN 0.391 nan 8.230 nan 0.000 0.439 516 S N -1.137 114.602 115.700 0.064 0.000 2.402 516 S HA -0.237 4.230 4.470 -0.006 0.000 0.233 516 S C 1.796 176.434 174.600 0.064 0.000 1.030 516 S CA 1.140 59.365 58.200 0.043 0.000 1.003 516 S CB -0.251 62.962 63.200 0.023 0.000 0.813 516 S HN 0.569 nan 8.310 nan 0.000 0.477 517 Q N 0.576 120.429 119.800 0.088 0.000 2.541 517 Q HA 0.122 4.458 4.340 -0.006 0.000 0.215 517 Q C 1.793 177.848 176.000 0.093 0.000 0.977 517 Q CA 0.336 56.197 55.803 0.097 0.000 0.934 517 Q CB -0.507 28.304 28.738 0.123 0.000 0.988 517 Q HN 0.593 nan 8.270 nan 0.000 0.521 518 L N 0.552 121.822 121.223 0.078 0.000 2.376 518 L HA -0.121 4.216 4.340 -0.006 0.000 0.219 518 L C 2.227 179.107 176.870 0.015 0.000 1.133 518 L CA 1.370 56.221 54.840 0.019 0.000 0.816 518 L CB -0.621 41.444 42.059 0.011 0.000 0.933 518 L HN 0.280 nan 8.230 nan 0.000 0.449 519 T N -3.433 111.165 114.554 0.074 0.000 2.929 519 T HA -0.201 4.146 4.350 -0.006 0.000 0.271 519 T C 1.676 176.490 174.700 0.189 0.000 1.085 519 T CA 0.826 63.031 62.100 0.176 0.000 1.125 519 T CB -0.232 68.757 68.868 0.202 0.000 0.874 519 T HN 0.297 nan 8.240 nan 0.000 0.494 520 K N 0.976 121.435 120.400 0.099 0.000 2.281 520 K HA 0.098 4.414 4.320 -0.006 0.000 0.203 520 K C 1.861 178.522 176.600 0.102 0.000 1.046 520 K CA 0.879 57.215 56.287 0.082 0.000 0.938 520 K CB -0.502 32.046 32.500 0.080 0.000 0.737 520 K HN 0.394 nan 8.250 nan 0.000 0.458 521 L N 0.262 121.528 121.223 0.072 0.000 2.642 521 L HA -0.141 4.196 4.340 -0.006 0.000 0.236 521 L C 1.409 178.301 176.870 0.037 0.000 1.169 521 L CA 0.760 55.657 54.840 0.096 0.000 0.851 521 L CB -0.555 41.460 42.059 -0.074 0.000 0.968 521 L HN 0.267 nan 8.230 nan 0.000 0.453 522 H N -1.583 117.501 119.070 0.024 0.000 2.502 522 H HA -0.037 4.516 4.556 -0.006 0.000 0.283 522 H C 2.332 177.583 175.328 -0.129 0.000 1.015 522 H CA 0.980 57.014 56.048 -0.024 0.000 1.298 522 H CB 0.288 30.028 29.762 -0.035 0.000 1.411 522 H HN 0.231 nan 8.280 nan 0.000 0.556 523 S N 0.184 115.753 115.700 -0.218 0.000 2.469 523 S HA -0.106 4.361 4.470 -0.006 0.000 0.238 523 S C 0.675 174.885 174.600 -0.649 0.000 0.998 523 S CA 0.848 58.738 58.200 -0.517 0.000 0.957 523 S CB -0.150 62.564 63.200 -0.811 0.000 0.764 523 S HN 0.367 nan 8.310 nan 0.000 0.514 524 F N 0.375 120.209 119.950 -0.193 0.000 2.664 524 F HA 0.427 4.951 4.527 -0.006 0.000 0.303 524 F C 1.284 177.052 175.800 -0.054 0.000 1.092 524 F CA -0.511 57.357 58.000 -0.219 0.000 1.305 524 F CB -0.641 37.967 39.000 -0.653 0.000 1.054 524 F HN 0.038 nan 8.300 nan 0.000 0.565 525 L N 0.296 121.585 121.223 0.109 0.000 2.189 525 L HA -0.194 4.143 4.340 -0.006 0.000 0.214 525 L C 2.419 179.360 176.870 0.119 0.000 1.097 525 L CA 1.611 56.529 54.840 0.129 0.000 0.764 525 L CB -0.657 41.462 42.059 0.099 0.000 0.900 525 L HN 0.432 nan 8.230 nan 0.000 0.436 526 G N -2.102 106.752 108.800 0.090 0.000 2.656 526 G HA2 -0.128 3.829 3.960 -0.006 0.000 0.211 526 G HA3 -0.128 3.829 3.960 -0.006 0.000 0.211 526 G C 0.345 175.309 174.900 0.106 0.000 1.137 526 G CA -0.242 44.905 45.100 0.077 0.000 0.802 526 G HN 0.199 nan 8.290 nan 0.000 0.527 527 D N 1.208 121.700 120.400 0.153 0.000 2.368 527 D HA 0.070 4.707 4.640 -0.006 0.000 0.268 527 D C 0.482 176.903 176.300 0.201 0.000 1.298 527 D CA -0.149 53.965 54.000 0.190 0.000 0.938 527 D CB 0.723 41.691 40.800 0.281 0.000 1.101 527 D HN 0.030 nan 8.370 nan 0.000 0.509 528 D N 2.681 123.157 120.400 0.127 0.000 2.224 528 D HA -0.106 4.531 4.640 -0.006 0.000 0.205 528 D C 2.022 178.371 176.300 0.081 0.000 0.965 528 D CA 0.473 54.528 54.000 0.092 0.000 0.852 528 D CB 0.301 41.135 40.800 0.057 0.000 0.947 528 D HN 0.278 nan 8.370 nan 0.000 0.494 529 V N 0.475 120.450 119.914 0.102 0.000 2.427 529 V HA -0.185 3.932 4.120 -0.006 0.000 0.248 529 V C 1.949 178.095 176.094 0.087 0.000 1.051 529 V CA 1.038 63.385 62.300 0.079 0.000 1.048 529 V CB -0.493 31.382 31.823 0.087 0.000 0.666 529 V HN 0.152 nan 8.190 nan 0.000 0.456 530 F N 0.303 120.255 119.950 0.004 0.000 2.234 530 F HA -0.073 4.450 4.527 -0.006 0.000 0.299 530 F C 1.941 177.719 175.800 -0.037 0.000 1.087 530 F CA 1.440 59.413 58.000 -0.045 0.000 1.340 530 F CB -0.138 38.829 39.000 -0.055 0.000 1.031 530 F HN 0.023 nan 8.300 nan 0.000 0.500 531 L N -0.167 121.023 121.223 -0.055 0.000 2.156 531 L HA -0.127 4.210 4.340 -0.006 0.000 0.208 531 L C 2.534 179.308 176.870 -0.160 0.000 1.095 531 L CA 1.083 55.841 54.840 -0.138 0.000 0.770 531 L CB -0.571 41.500 42.059 0.020 0.000 0.914 531 L HN 0.063 nan 8.230 nan 0.000 0.439 532 R N 0.105 120.542 120.500 -0.104 0.000 2.075 532 R HA -0.139 4.197 4.340 -0.006 0.000 0.232 532 R C 2.109 178.326 176.300 -0.138 0.000 1.126 532 R CA 1.154 57.198 56.100 -0.093 0.000 0.963 532 R CB -0.198 30.071 30.300 -0.052 0.000 0.858 532 R HN 0.398 nan 8.270 nan 0.000 0.435 533 E N 0.622 120.712 120.200 -0.184 0.000 2.106 533 E HA -0.188 4.159 4.350 -0.006 0.000 0.192 533 E C 1.870 178.297 176.600 -0.287 0.000 0.984 533 E CA 0.814 57.090 56.400 -0.207 0.000 0.806 533 E CB -0.031 29.553 29.700 -0.193 0.000 0.750 533 E HN 0.093 nan 8.360 nan 0.000 0.458 534 L N 0.799 121.749 121.223 -0.455 0.000 2.027 534 L HA -0.099 4.238 4.340 -0.006 0.000 0.206 534 L C 2.175 178.924 176.870 -0.202 0.000 1.074 534 L CA 1.999 56.588 54.840 -0.419 0.000 0.745 534 L CB -0.558 41.170 42.059 -0.552 0.000 0.898 534 L HN 0.028 nan 8.230 nan 0.000 0.433 535 A N -0.624 122.100 122.820 -0.159 0.000 1.930 535 A HA -0.227 4.089 4.320 -0.006 0.000 0.217 535 A C 2.312 179.843 177.584 -0.089 0.000 1.175 535 A CA 1.806 53.788 52.037 -0.092 0.000 0.627 535 A CB -0.588 18.361 19.000 -0.086 0.000 0.815 535 A HN 0.438 nan 8.150 nan 0.000 0.443 536 K N 0.145 120.485 120.400 -0.100 0.000 2.026 536 K HA -0.071 4.246 4.320 -0.006 0.000 0.208 536 K C 1.660 178.220 176.600 -0.068 0.000 1.048 536 K CA 1.956 58.196 56.287 -0.078 0.000 0.929 536 K CB -0.877 31.578 32.500 -0.075 0.000 0.713 536 K HN 0.168 nan 8.250 nan 0.000 0.439 537 V N 1.223 121.089 119.914 -0.080 0.000 2.255 537 V HA -0.266 3.850 4.120 -0.006 0.000 0.247 537 V C 2.402 178.471 176.094 -0.041 0.000 1.051 537 V CA 2.292 64.556 62.300 -0.060 0.000 1.018 537 V CB -0.627 31.151 31.823 -0.075 0.000 0.641 537 V HN 0.407 nan 8.190 nan 0.000 0.445 538 K N -0.192 120.182 120.400 -0.043 0.000 2.103 538 K HA -0.205 4.112 4.320 -0.006 0.000 0.207 538 K C 2.200 178.771 176.600 -0.048 0.000 1.048 538 K CA 1.541 57.813 56.287 -0.025 0.000 0.930 538 K CB -0.427 32.073 32.500 0.000 0.000 0.716 538 K HN 0.329 nan 8.250 nan 0.000 0.444 539 Q N 0.472 120.235 119.800 -0.061 0.000 2.050 539 Q HA -0.170 4.166 4.340 -0.006 0.000 0.202 539 Q C 1.989 177.964 176.000 -0.042 0.000 0.980 539 Q CA 1.838 57.598 55.803 -0.072 0.000 0.840 539 Q CB -0.355 28.343 28.738 -0.067 0.000 0.898 539 Q HN 0.420 nan 8.270 nan 0.000 0.424 540 E N 0.785 120.971 120.200 -0.024 0.000 2.153 540 E HA -0.139 4.207 4.350 -0.006 0.000 0.194 540 E C 1.358 177.975 176.600 0.028 0.000 0.988 540 E CA 1.536 57.937 56.400 0.001 0.000 0.811 540 E CB -0.221 29.477 29.700 -0.003 0.000 0.746 540 E HN 0.448 nan 8.360 nan 0.000 0.466 541 N N -0.387 118.326 118.700 0.023 0.000 2.171 541 N HA -0.094 4.642 4.740 -0.006 0.000 0.184 541 N C 1.634 177.216 175.510 0.120 0.000 1.021 541 N CA 1.153 54.236 53.050 0.056 0.000 0.854 541 N CB -0.035 38.468 38.487 0.027 0.000 0.994 541 N HN 0.076 nan 8.380 nan 0.000 0.426 542 K N 0.576 121.004 120.400 0.046 0.000 2.097 542 K HA -0.097 4.220 4.320 -0.006 0.000 0.206 542 K C 1.878 178.576 176.600 0.162 0.000 1.049 542 K CA 0.769 57.081 56.287 0.041 0.000 0.933 542 K CB -0.116 32.159 32.500 -0.375 0.000 0.717 542 K HN 0.071 nan 8.250 nan 0.000 0.442 543 L N 1.692 122.967 121.223 0.086 0.000 2.109 543 L HA -0.106 4.231 4.340 -0.006 0.000 0.207 543 L C 2.213 179.168 176.870 0.142 0.000 1.086 543 L CA 1.670 56.571 54.840 0.101 0.000 0.760 543 L CB -0.181 41.909 42.059 0.051 0.000 0.910 543 L HN -0.007 nan 8.230 nan 0.000 0.437 544 K N -1.656 118.834 120.400 0.151 0.000 2.211 544 K HA -0.209 4.108 4.320 -0.006 0.000 0.203 544 K C 1.982 178.736 176.600 0.258 0.000 1.050 544 K CA 1.364 57.751 56.287 0.167 0.000 0.945 544 K CB -0.155 32.426 32.500 0.135 0.000 0.732 544 K HN 0.312 nan 8.250 nan 0.000 0.451 545 F N 0.400 120.447 119.950 0.161 0.000 2.473 545 F HA 0.114 4.638 4.527 -0.006 0.000 0.294 545 F C 1.845 177.831 175.800 0.310 0.000 1.103 545 F CA 0.538 58.669 58.000 0.220 0.000 1.442 545 F CB 0.054 39.176 39.000 0.205 0.000 1.097 545 F HN -0.097 nan 8.300 nan 0.000 0.547 546 S N 0.268 116.087 115.700 0.198 0.000 2.368 546 S HA -0.202 4.264 4.470 -0.006 0.000 0.224 546 S C 1.867 176.485 174.600 0.030 0.000 1.029 546 S CA 1.326 59.590 58.200 0.107 0.000 0.988 546 S CB -0.328 63.003 63.200 0.219 0.000 0.838 546 S HN 0.508 nan 8.310 nan 0.000 0.462 547 Q N -0.400 119.447 119.800 0.077 0.000 2.170 547 Q HA -0.118 4.218 4.340 -0.006 0.000 0.203 547 Q C 1.841 177.865 176.000 0.040 0.000 0.976 547 Q CA 1.298 57.136 55.803 0.059 0.000 0.858 547 Q CB -0.268 28.519 28.738 0.081 0.000 0.907 547 Q HN 0.619 nan 8.270 nan 0.000 0.433 548 F N 0.840 120.730 119.950 -0.099 0.000 2.146 548 F HA -0.140 4.384 4.527 -0.006 0.000 0.298 548 F C 1.622 177.340 175.800 -0.136 0.000 1.096 548 F CA 1.106 59.038 58.000 -0.113 0.000 1.275 548 F CB 0.034 38.955 39.000 -0.132 0.000 1.008 548 F HN -0.050 nan 8.300 nan 0.000 0.480 549 L N -0.094 121.058 121.223 -0.118 0.000 2.376 549 L HA -0.090 4.246 4.340 -0.006 0.000 0.219 549 L C 1.856 178.740 176.870 0.022 0.000 1.133 549 L CA 1.010 55.834 54.840 -0.028 0.000 0.816 549 L CB -0.524 41.438 42.059 -0.162 0.000 0.933 549 L HN 0.235 nan 8.230 nan 0.000 0.449 550 E N -0.789 119.382 120.200 -0.048 0.000 2.364 550 E HA -0.068 4.279 4.350 -0.006 0.000 0.196 550 E C 1.862 178.415 176.600 -0.079 0.000 0.990 550 E CA 1.111 57.494 56.400 -0.029 0.000 0.886 550 E CB 0.230 29.925 29.700 -0.009 0.000 0.866 550 E HN 0.439 nan 8.360 nan 0.000 0.493 551 T N -1.764 112.702 114.554 -0.146 0.000 3.129 551 T HA 0.087 4.434 4.350 -0.006 0.000 0.251 551 T C 1.459 175.996 174.700 -0.271 0.000 1.117 551 T CA 0.481 62.479 62.100 -0.170 0.000 1.034 551 T CB 0.345 69.118 68.868 -0.159 0.000 0.968 551 T HN -0.062 nan 8.240 nan 0.000 0.526 552 E N -0.546 119.431 120.200 -0.372 0.000 2.357 552 E HA 0.304 4.651 4.350 -0.006 0.000 0.202 552 E C -0.697 175.528 176.600 -0.625 0.000 0.855 552 E CA -0.065 55.978 56.400 -0.595 0.000 1.048 552 E CB 0.525 29.659 29.700 -0.943 0.000 1.037 552 E HN 0.598 nan 8.360 nan 0.000 0.499 553 Y N 0.572 120.788 120.300 -0.141 0.000 2.496 553 Y HA 0.326 4.872 4.550 -0.006 0.000 0.331 553 Y C 1.290 177.149 175.900 -0.067 0.000 1.140 553 Y CA -0.672 57.379 58.100 -0.083 0.000 1.166 553 Y CB 1.051 39.467 38.460 -0.073 0.000 1.249 553 Y HN -0.205 nan 8.280 nan 0.000 0.479 554 K N 1.049 121.515 120.400 0.111 0.000 1.973 554 K HA -0.082 4.234 4.320 -0.006 0.000 0.212 554 K C 0.535 177.161 176.600 0.044 0.000 1.047 554 K CA 1.252 57.569 56.287 0.049 0.000 0.937 554 K CB -0.373 32.151 32.500 0.040 0.000 0.721 554 K HN 0.627 nan 8.250 nan 0.000 0.440 555 V N 1.097 121.040 119.914 0.048 0.000 3.233 555 V HA -0.120 3.997 4.120 -0.006 0.000 0.290 555 V C -0.129 175.976 176.094 0.018 0.000 1.275 555 V CA 0.262 62.575 62.300 0.021 0.000 1.375 555 V CB 0.099 31.920 31.823 -0.004 0.000 0.980 555 V HN 0.391 nan 8.190 nan 0.000 0.521 556 K N 3.729 124.136 120.400 0.013 0.000 2.274 556 K HA 0.550 4.866 4.320 -0.006 0.000 0.262 556 K C -0.796 175.817 176.600 0.022 0.000 0.961 556 K CA -0.966 55.333 56.287 0.019 0.000 0.833 556 K CB 1.146 33.657 32.500 0.019 0.000 1.102 556 K HN 0.721 nan 8.250 nan 0.000 0.436 557 I N 3.271 123.862 120.570 0.035 0.000 2.428 557 I HA 0.087 4.253 4.170 -0.006 0.000 0.289 557 I C 0.376 176.551 176.117 0.097 0.000 1.019 557 I CA -0.523 60.815 61.300 0.063 0.000 1.351 557 I CB 0.883 38.940 38.000 0.094 0.000 1.412 557 I HN 0.681 nan 8.210 nan 0.000 0.513 558 N N 8.909 127.680 118.700 0.119 0.000 2.415 558 N HA 0.171 4.907 4.740 -0.006 0.000 0.246 558 N C -1.640 173.967 175.510 0.162 0.000 1.078 558 N CA -1.675 51.444 53.050 0.116 0.000 0.942 558 N CB 1.429 39.978 38.487 0.104 0.000 1.140 558 N HN 0.321 nan 8.380 nan 0.000 0.501 559 P HA -0.085 nan 4.420 nan 0.000 0.225 559 P C 0.676 177.985 177.300 0.016 0.000 1.148 559 P CA 0.865 64.012 63.100 0.077 0.000 0.779 559 P CB 0.270 31.999 31.700 0.048 0.000 0.780 560 S N -1.586 114.137 115.700 0.039 0.000 2.556 560 S HA 0.085 4.552 4.470 -0.006 0.000 0.216 560 S C 1.073 175.710 174.600 0.063 0.000 0.970 560 S CA -0.287 57.927 58.200 0.022 0.000 0.912 560 S CB -0.864 62.348 63.200 0.020 0.000 0.790 560 S HN 0.237 nan 8.310 nan 0.000 0.504 561 S N 1.615 117.372 115.700 0.094 0.000 2.600 561 S HA 0.431 4.898 4.470 -0.006 0.000 0.265 561 S C 0.023 174.642 174.600 0.032 0.000 1.325 561 S CA -0.789 57.470 58.200 0.098 0.000 1.002 561 S CB 0.226 63.524 63.200 0.163 0.000 0.921 561 S HN 0.489 nan 8.310 nan 0.000 0.554 562 M N 2.197 121.678 119.600 -0.198 0.000 2.146 562 M HA 0.342 4.819 4.480 -0.006 0.000 0.357 562 M C -1.677 174.613 176.300 -0.016 0.000 1.261 562 M CA -0.477 54.474 55.300 -0.582 0.000 1.106 562 M CB -0.022 31.799 32.600 -1.298 0.000 1.612 562 M HN 0.675 nan 8.290 nan 0.000 0.470 563 F N 3.780 123.601 119.950 -0.216 0.000 2.423 563 F HA 0.194 4.718 4.527 -0.006 0.000 0.356 563 F C 0.376 176.112 175.800 -0.107 0.000 1.170 563 F CA -0.825 57.121 58.000 -0.089 0.000 1.163 563 F CB -0.289 38.720 39.000 0.016 0.000 1.318 563 F HN 0.454 nan 8.300 nan 0.000 0.569 564 D N 3.982 124.381 120.400 -0.002 0.000 2.380 564 D HA 0.337 4.973 4.640 -0.006 0.000 0.230 564 D C -0.876 175.365 176.300 -0.098 0.000 1.154 564 D CA -0.007 53.952 54.000 -0.069 0.000 0.859 564 D CB 0.995 41.747 40.800 -0.079 0.000 1.045 564 D HN 0.279 nan 8.370 nan 0.000 0.495 565 V N 1.770 121.601 119.914 -0.139 0.000 2.823 565 V HA 0.633 4.750 4.120 -0.006 0.000 0.312 565 V C -1.260 174.687 176.094 -0.246 0.000 1.072 565 V CA -0.791 61.408 62.300 -0.169 0.000 0.937 565 V CB 1.977 33.741 31.823 -0.099 0.000 1.013 565 V HN 0.499 nan 8.190 nan 0.000 0.430 566 Q N 3.071 122.741 119.800 -0.216 0.000 2.303 566 Q HA 0.699 5.035 4.340 -0.006 0.000 0.267 566 Q C -1.563 174.270 176.000 -0.278 0.000 1.011 566 Q CA -0.646 55.022 55.803 -0.226 0.000 0.740 566 Q CB 2.061 30.689 28.738 -0.184 0.000 1.250 566 Q HN 1.265 nan 8.270 nan 0.000 0.458 567 V N 1.568 121.310 119.914 -0.286 0.000 2.525 567 V HA 0.867 4.984 4.120 -0.006 0.000 0.299 567 V C -0.952 174.858 176.094 -0.475 0.000 1.034 567 V CA -0.590 61.346 62.300 -0.606 0.000 0.863 567 V CB 1.197 32.428 31.823 -0.988 0.000 0.999 567 V HN 0.865 nan 8.190 nan 0.000 0.423 568 K N 2.510 122.683 120.400 -0.379 0.000 3.138 568 K HA 0.463 4.779 4.320 -0.006 0.000 0.309 568 K C -1.218 175.372 176.600 -0.016 0.000 1.090 568 K CA -1.247 55.007 56.287 -0.054 0.000 0.816 568 K CB 0.825 33.297 32.500 -0.045 0.000 1.476 568 K HN 0.417 nan 8.250 nan 0.000 0.380 569 R N 0.733 121.276 120.500 0.072 0.000 2.756 569 R HA 0.168 4.505 4.340 -0.006 0.000 0.264 569 R C 0.283 176.495 176.300 -0.146 0.000 1.026 569 R CA -0.336 55.770 56.100 0.010 0.000 1.121 569 R CB -0.201 30.150 30.300 0.085 0.000 0.999 569 R HN 0.486 nan 8.270 nan 0.000 0.449 570 I N 4.807 125.228 120.570 -0.249 0.000 2.363 570 I HA 0.136 4.303 4.170 -0.006 0.000 0.292 570 I C 0.687 176.452 176.117 -0.586 0.000 1.075 570 I CA 0.368 61.482 61.300 -0.311 0.000 1.333 570 I CB -0.307 37.578 38.000 -0.192 0.000 1.415 570 I HN 0.268 nan 8.210 nan 0.000 0.502 571 H N 4.416 123.346 119.070 -0.232 0.000 2.928 571 H HA 0.303 4.856 4.556 -0.006 0.000 0.371 571 H C 0.359 175.533 175.328 -0.257 0.000 1.186 571 H CA -0.535 55.400 56.048 -0.188 0.000 1.134 571 H CB 1.974 31.556 29.762 -0.300 0.000 1.824 571 H HN 0.459 nan 8.280 nan 0.000 0.554 572 E N 0.657 120.875 120.200 0.030 0.000 2.208 572 E HA -0.150 4.196 4.350 -0.006 0.000 0.193 572 E C 1.393 177.810 176.600 -0.306 0.000 0.988 572 E CA 0.906 57.293 56.400 -0.023 0.000 0.828 572 E CB 0.112 29.966 29.700 0.255 0.000 0.763 572 E HN 0.534 nan 8.360 nan 0.000 0.478 573 Y N 1.029 120.846 120.300 -0.804 0.000 2.314 573 Y HA 0.043 4.590 4.550 -0.006 0.000 0.293 573 Y C 1.567 177.189 175.900 -0.465 0.000 1.129 573 Y CA 0.853 58.227 58.100 -1.210 0.000 1.201 573 Y CB -0.114 37.511 38.460 -1.391 0.000 0.999 573 Y HN -0.241 nan 8.280 nan 0.000 0.541 574 K N 0.769 120.673 120.400 -0.827 0.000 2.365 574 K HA 0.031 4.347 4.320 -0.006 0.000 0.199 574 K C -0.028 176.394 176.600 -0.297 0.000 1.045 574 K CA 0.663 56.601 56.287 -0.581 0.000 0.962 574 K CB -0.082 32.078 32.500 -0.566 0.000 0.759 574 K HN 0.277 nan 8.250 nan 0.000 0.469 575 R N 0.554 120.900 120.500 -0.256 0.000 3.146 575 R HA -0.218 4.118 4.340 -0.006 0.000 0.250 575 R C 0.082 176.290 176.300 -0.154 0.000 0.912 575 R CA 0.115 56.114 56.100 -0.168 0.000 0.633 575 R CB -1.809 28.411 30.300 -0.134 0.000 1.180 575 R HN 0.282 nan 8.270 nan 0.000 0.464 576 Q N 0.467 120.179 119.800 -0.147 0.000 2.369 576 Q HA 0.057 4.393 4.340 -0.006 0.000 0.206 576 Q C 2.038 177.986 176.000 -0.087 0.000 0.963 576 Q CA 0.991 56.723 55.803 -0.119 0.000 0.894 576 Q CB 0.138 28.810 28.738 -0.109 0.000 0.965 576 Q HN 0.590 nan 8.270 nan 0.000 0.475 577 L N -0.512 120.659 121.223 -0.086 0.000 2.017 577 L HA -0.201 4.135 4.340 -0.006 0.000 0.208 577 L C 1.977 178.845 176.870 -0.003 0.000 1.073 577 L CA 0.819 55.624 54.840 -0.058 0.000 0.745 577 L CB -0.377 41.649 42.059 -0.055 0.000 0.894 577 L HN 0.330 nan 8.230 nan 0.000 0.432 578 L N 0.226 121.439 121.223 -0.016 0.000 2.043 578 L HA -0.301 4.036 4.340 -0.006 0.000 0.212 578 L C 2.057 178.997 176.870 0.117 0.000 1.075 578 L CA 2.127 56.982 54.840 0.026 0.000 0.752 578 L CB -0.992 40.967 42.059 -0.168 0.000 0.891 578 L HN 0.346 nan 8.230 nan 0.000 0.432 579 N N -1.950 116.772 118.700 0.037 0.000 2.188 579 N HA -0.243 4.494 4.740 -0.006 0.000 0.184 579 N C 2.102 177.720 175.510 0.180 0.000 1.018 579 N CA 1.219 54.382 53.050 0.188 0.000 0.858 579 N CB -0.201 38.318 38.487 0.053 0.000 0.989 579 N HN 0.556 nan 8.380 nan 0.000 0.426 580 C N 0.547 119.882 119.300 0.058 0.000 2.435 580 C HA 0.065 4.522 4.460 -0.006 0.000 0.279 580 C C 2.408 177.410 174.990 0.019 0.000 1.321 580 C CA 0.276 59.282 59.018 -0.021 0.000 1.752 580 C CB -1.271 26.404 27.740 -0.109 0.000 1.959 580 C HN 0.487 nan 8.230 nan 0.000 0.500 581 L N -0.512 120.787 121.223 0.128 0.000 2.291 581 L HA -0.094 4.243 4.340 -0.006 0.000 0.214 581 L C 2.654 179.714 176.870 0.317 0.000 1.120 581 L CA 1.399 56.360 54.840 0.200 0.000 0.799 581 L CB -1.005 41.217 42.059 0.271 0.000 0.925 581 L HN 0.589 nan 8.230 nan 0.000 0.446 582 H N -0.085 119.115 119.070 0.216 0.000 2.372 582 H HA -0.077 4.475 4.556 -0.006 0.000 0.301 582 H C 2.212 177.584 175.328 0.073 0.000 1.065 582 H CA 1.383 57.506 56.048 0.126 0.000 1.364 582 H CB 0.513 30.312 29.762 0.062 0.000 1.406 582 H HN 0.080 nan 8.280 nan 0.000 0.521 583 V N 1.670 121.548 119.914 -0.060 0.000 2.343 583 V HA -0.268 3.848 4.120 -0.006 0.000 0.247 583 V C 2.752 178.821 176.094 -0.042 0.000 1.051 583 V CA 1.785 64.010 62.300 -0.124 0.000 1.036 583 V CB -0.482 31.291 31.823 -0.084 0.000 0.654 583 V HN 0.397 nan 8.190 nan 0.000 0.451 584 I N -0.168 120.403 120.570 0.001 0.000 2.315 584 I HA -0.209 3.957 4.170 -0.006 0.000 0.248 584 I C 2.474 178.691 176.117 0.167 0.000 1.117 584 I CA 1.659 63.032 61.300 0.122 0.000 1.404 584 I CB -0.676 37.393 38.000 0.115 0.000 1.071 584 I HN 0.308 nan 8.210 nan 0.000 0.419 585 T N 0.838 115.456 114.554 0.107 0.000 2.821 585 T HA -0.120 4.227 4.350 -0.006 0.000 0.267 585 T C 1.943 176.669 174.700 0.043 0.000 1.046 585 T CA 1.319 63.480 62.100 0.103 0.000 1.139 585 T CB -0.120 68.843 68.868 0.159 0.000 0.871 585 T HN 0.258 nan 8.240 nan 0.000 0.454 586 M N -0.315 119.270 119.600 -0.026 0.000 2.132 586 M HA -0.041 4.435 4.480 -0.006 0.000 0.263 586 M C 2.188 178.472 176.300 -0.026 0.000 1.065 586 M CA 1.565 56.890 55.300 0.042 0.000 1.122 586 M CB -0.523 32.121 32.600 0.073 0.000 1.365 586 M HN 0.247 nan 8.290 nan 0.000 0.411 587 Y N 2.200 122.435 120.300 -0.107 0.000 2.030 587 Y HA -0.323 4.224 4.550 -0.006 0.000 0.274 587 Y C 2.215 178.059 175.900 -0.093 0.000 1.153 587 Y CA 1.971 60.009 58.100 -0.103 0.000 1.115 587 Y CB -0.717 37.757 38.460 0.023 0.000 0.969 587 Y HN 0.266 nan 8.280 nan 0.000 0.488 588 N N 0.562 119.235 118.700 -0.045 0.000 2.091 588 N HA -0.231 4.506 4.740 -0.006 0.000 0.193 588 N C 1.908 177.304 175.510 -0.189 0.000 1.021 588 N CA 2.041 54.992 53.050 -0.166 0.000 0.862 588 N CB -0.494 37.969 38.487 -0.041 0.000 1.018 588 N HN 0.487 nan 8.380 nan 0.000 0.429 589 R N 0.513 120.945 120.500 -0.114 0.000 2.081 589 R HA 0.017 4.354 4.340 -0.006 0.000 0.235 589 R C 2.362 178.573 176.300 -0.148 0.000 1.131 589 R CA 0.882 56.933 56.100 -0.083 0.000 0.960 589 R CB -0.297 30.012 30.300 0.015 0.000 0.856 589 R HN 0.278 nan 8.270 nan 0.000 0.436 590 I N 0.877 121.283 120.570 -0.274 0.000 2.252 590 I HA -0.270 3.896 4.170 -0.006 0.000 0.245 590 I C 2.159 178.109 176.117 -0.280 0.000 1.102 590 I CA 1.408 62.509 61.300 -0.332 0.000 1.385 590 I CB -0.208 37.476 38.000 -0.527 0.000 1.064 590 I HN 0.133 nan 8.210 nan 0.000 0.414 591 K N 0.776 120.961 120.400 -0.359 0.000 2.057 591 K HA -0.202 4.115 4.320 -0.006 0.000 0.206 591 K C 2.177 178.664 176.600 -0.188 0.000 1.050 591 K CA 1.124 57.232 56.287 -0.299 0.000 0.935 591 K CB -0.126 32.130 32.500 -0.405 0.000 0.715 591 K HN 0.201 nan 8.250 nan 0.000 0.439 592 K N 0.829 121.126 120.400 -0.172 0.000 2.026 592 K HA -0.155 4.162 4.320 -0.006 0.000 0.208 592 K C 0.445 176.995 176.600 -0.084 0.000 1.048 592 K CA 1.482 57.703 56.287 -0.111 0.000 0.929 592 K CB 0.194 32.638 32.500 -0.094 0.000 0.713 592 K HN -0.062 nan 8.250 nan 0.000 0.439 593 D N 0.299 120.649 120.400 -0.083 0.000 2.502 593 D HA 0.147 4.783 4.640 -0.006 0.000 0.301 593 D C -2.304 173.958 176.300 -0.064 0.000 1.202 593 D CA -1.829 52.138 54.000 -0.056 0.000 0.878 593 D CB 1.332 42.114 40.800 -0.032 0.000 1.062 593 D HN 0.127 nan 8.370 nan 0.000 0.499 594 P HA -0.003 nan 4.420 nan 0.000 0.288 594 P C 0.514 177.785 177.300 -0.048 0.000 1.448 594 P CA 0.526 63.577 63.100 -0.081 0.000 0.764 594 P CB -0.187 31.464 31.700 -0.082 0.000 1.472 595 K N -0.962 119.420 120.400 -0.029 0.000 2.603 595 K HA 0.098 4.414 4.320 -0.006 0.000 0.216 595 K C 0.680 177.284 176.600 0.008 0.000 1.562 595 K CA -0.134 56.147 56.287 -0.010 0.000 1.012 595 K CB -0.136 32.357 32.500 -0.012 0.000 1.280 595 K HN 0.134 nan 8.250 nan 0.000 0.620 596 K N 1.400 121.808 120.400 0.013 0.000 2.382 596 K HA 0.261 4.577 4.320 -0.006 0.000 0.275 596 K C -0.521 176.120 176.600 0.069 0.000 1.009 596 K CA -0.600 55.708 56.287 0.034 0.000 0.970 596 K CB 0.292 32.815 32.500 0.038 0.000 0.934 596 K HN 0.061 nan 8.250 nan 0.000 0.479 597 L N 5.565 126.823 121.223 0.057 0.000 2.678 597 L HA 0.071 4.408 4.340 -0.006 0.000 0.276 597 L C -0.414 176.515 176.870 0.099 0.000 1.142 597 L CA 0.854 55.733 54.840 0.065 0.000 0.961 597 L CB -1.178 40.897 42.059 0.026 0.000 1.291 597 L HN 0.443 nan 8.230 nan 0.000 0.476 598 F N 3.738 123.673 119.950 -0.025 0.000 2.411 598 F HA 0.414 4.937 4.527 -0.006 0.000 0.352 598 F C 0.179 175.962 175.800 -0.027 0.000 1.123 598 F CA -0.825 57.155 58.000 -0.033 0.000 1.044 598 F CB 1.164 40.139 39.000 -0.041 0.000 1.135 598 F HN 0.041 nan 8.300 nan 0.000 0.461 599 V N 9.231 128.862 119.914 -0.472 0.000 2.403 599 V HA 0.123 4.240 4.120 -0.006 0.000 0.265 599 V C -1.656 174.250 176.094 -0.312 0.000 1.034 599 V CA -1.349 60.772 62.300 -0.300 0.000 1.036 599 V CB -0.325 31.324 31.823 -0.290 0.000 1.032 599 V HN 0.595 nan 8.190 nan 0.000 0.478 600 P HA 0.094 nan 4.420 nan 0.000 0.266 600 P C -0.433 176.875 177.300 0.013 0.000 1.193 600 P CA 0.191 63.382 63.100 0.152 0.000 0.770 600 P CB 0.795 32.574 31.700 0.131 0.000 0.836 601 R N 0.633 121.188 120.500 0.092 0.000 2.668 601 R HA 0.448 4.784 4.340 -0.006 0.000 0.272 601 R C -0.702 175.612 176.300 0.023 0.000 1.019 601 R CA -0.665 55.437 56.100 0.003 0.000 0.894 601 R CB 2.006 32.283 30.300 -0.038 0.000 1.228 601 R HN 0.314 nan 8.270 nan 0.000 0.460 602 T N 2.054 116.600 114.554 -0.013 0.000 3.042 602 T HA 0.194 4.541 4.350 -0.006 0.000 0.356 602 T C -0.178 174.406 174.700 -0.193 0.000 1.233 602 T CA -0.404 61.607 62.100 -0.148 0.000 1.038 602 T CB 0.636 69.258 68.868 -0.410 0.000 1.089 602 T HN 0.148 nan 8.240 nan 0.000 0.531 603 V N 5.576 125.411 119.914 -0.131 0.000 2.470 603 V HA 0.326 4.443 4.120 -0.006 0.000 0.276 603 V C 0.268 176.263 176.094 -0.165 0.000 1.040 603 V CA -0.249 61.979 62.300 -0.120 0.000 1.008 603 V CB 0.209 31.989 31.823 -0.071 0.000 0.990 603 V HN 0.734 nan 8.190 nan 0.000 0.477 604 I N 6.774 127.239 120.570 -0.175 0.000 2.382 604 I HA 0.508 4.674 4.170 -0.006 0.000 0.286 604 I C -0.416 175.576 176.117 -0.208 0.000 1.002 604 I CA -0.209 60.975 61.300 -0.194 0.000 1.135 604 I CB 1.511 39.416 38.000 -0.158 0.000 1.288 604 I HN 0.422 nan 8.210 nan 0.000 0.448 605 I N 5.115 125.529 120.570 -0.260 0.000 2.465 605 I HA 0.747 4.914 4.170 -0.006 0.000 0.291 605 I C 0.195 175.941 176.117 -0.618 0.000 1.014 605 I CA -0.420 60.682 61.300 -0.330 0.000 1.093 605 I CB 2.177 40.050 38.000 -0.212 0.000 1.267 605 I HN 0.668 nan 8.210 nan 0.000 0.431 606 G N 2.968 111.385 108.800 -0.639 0.000 2.698 606 G HA2 0.789 4.746 3.960 -0.006 0.000 0.293 606 G HA3 0.789 4.746 3.960 -0.006 0.000 0.293 606 G C -1.089 173.476 174.900 -0.559 0.000 1.437 606 G CA -0.606 44.006 45.100 -0.813 0.000 0.852 606 G HN 0.986 nan 8.290 nan 0.000 0.499 607 G N -0.345 108.271 108.800 -0.307 0.000 2.352 607 G HA2 0.429 4.386 3.960 -0.006 0.000 0.305 607 G HA3 0.429 4.386 3.960 -0.006 0.000 0.305 607 G C -1.237 173.758 174.900 0.159 0.000 1.537 607 G CA -1.023 44.075 45.100 -0.003 0.000 0.959 607 G HN 0.613 nan 8.290 nan 0.000 0.668 608 K N -0.239 120.260 120.400 0.165 0.000 2.098 608 K HA 0.763 5.079 4.320 -0.006 0.000 0.261 608 K C 0.222 176.931 176.600 0.182 0.000 0.987 608 K CA -0.161 56.250 56.287 0.207 0.000 0.916 608 K CB 1.971 34.493 32.500 0.036 0.000 1.039 608 K HN 0.876 nan 8.250 nan 0.000 0.455 609 A N 1.091 124.073 122.820 0.270 0.000 2.337 609 A HA 0.639 4.955 4.320 -0.006 0.000 0.329 609 A C -0.654 177.081 177.584 0.253 0.000 1.146 609 A CA -0.784 51.337 52.037 0.140 0.000 0.800 609 A CB 1.179 20.206 19.000 0.045 0.000 1.220 609 A HN 0.744 nan 8.150 nan 0.000 0.472 610 A N 3.849 126.799 122.820 0.217 0.000 2.491 610 A HA 0.508 4.824 4.320 -0.006 0.000 0.261 610 A C -1.323 176.332 177.584 0.119 0.000 1.101 610 A CA -0.997 51.172 52.037 0.220 0.000 0.772 610 A CB -0.396 18.726 19.000 0.204 0.000 1.043 610 A HN 0.604 nan 8.150 nan 0.000 0.501 611 P HA -0.241 nan 4.420 nan 0.000 0.222 611 P C 1.410 178.704 177.300 -0.010 0.000 1.155 611 P CA 2.304 65.351 63.100 -0.088 0.000 0.890 611 P CB 0.190 31.786 31.700 -0.174 0.000 0.790 612 G N -3.705 105.106 108.800 0.017 0.000 3.088 612 G HA2 -0.108 3.849 3.960 -0.006 0.000 0.212 612 G HA3 -0.108 3.849 3.960 -0.006 0.000 0.212 612 G C -0.232 174.697 174.900 0.048 0.000 1.173 612 G CA -0.043 45.069 45.100 0.020 0.000 0.779 612 G HN 0.185 nan 8.290 nan 0.000 0.540 613 Y N 1.494 121.749 120.300 -0.075 0.000 2.535 613 Y HA 0.322 4.869 4.550 -0.006 0.000 0.349 613 Y C 1.258 177.171 175.900 0.022 0.000 0.992 613 Y CA -2.009 56.040 58.100 -0.084 0.000 1.248 613 Y CB 0.300 38.692 38.460 -0.115 0.000 1.124 613 Y HN 0.317 nan 8.280 nan 0.000 0.520 614 H N 3.889 123.123 119.070 0.273 0.000 2.326 614 H HA -0.152 4.400 4.556 -0.006 0.000 0.301 614 H C 1.935 177.330 175.328 0.112 0.000 1.081 614 H CA 2.604 58.744 56.048 0.154 0.000 1.334 614 H CB 0.252 30.090 29.762 0.127 0.000 1.385 614 H HN 0.628 nan 8.280 nan 0.000 0.504 615 M N 0.428 120.052 119.600 0.040 0.000 2.159 615 M HA -0.016 4.461 4.480 -0.006 0.000 0.263 615 M C 2.326 178.423 176.300 -0.338 0.000 1.063 615 M CA 1.771 56.993 55.300 -0.131 0.000 1.110 615 M CB -0.815 31.844 32.600 0.099 0.000 1.374 615 M HN 0.382 nan 8.290 nan 0.000 0.411 616 A N -0.227 122.166 122.820 -0.713 0.000 1.902 616 A HA -0.200 4.116 4.320 -0.006 0.000 0.217 616 A C 2.207 179.606 177.584 -0.309 0.000 1.181 616 A CA 1.938 53.554 52.037 -0.700 0.000 0.623 616 A CB -0.642 17.699 19.000 -1.098 0.000 0.818 616 A HN 0.589 nan 8.150 nan 0.000 0.443 617 K N -1.131 119.154 120.400 -0.191 0.000 2.148 617 K HA -0.041 4.275 4.320 -0.006 0.000 0.204 617 K C 2.007 178.599 176.600 -0.014 0.000 1.050 617 K CA 1.216 57.484 56.287 -0.032 0.000 0.942 617 K CB -0.226 32.327 32.500 0.089 0.000 0.724 617 K HN 0.357 nan 8.250 nan 0.000 0.446 618 M N 0.687 120.229 119.600 -0.096 0.000 2.132 618 M HA -0.105 4.372 4.480 -0.006 0.000 0.263 618 M C 2.208 178.473 176.300 -0.059 0.000 1.065 618 M CA 1.478 56.757 55.300 -0.036 0.000 1.122 618 M CB -0.711 31.827 32.600 -0.102 0.000 1.365 618 M HN 0.134 nan 8.290 nan 0.000 0.411 619 I N -0.094 120.399 120.570 -0.129 0.000 2.286 619 I HA -0.309 3.858 4.170 -0.006 0.000 0.248 619 I C 2.323 178.332 176.117 -0.180 0.000 1.115 619 I CA 1.122 62.330 61.300 -0.153 0.000 1.392 619 I CB -0.277 37.625 38.000 -0.163 0.000 1.065 619 I HN 0.204 nan 8.210 nan 0.000 0.418 620 I N 0.598 121.048 120.570 -0.201 0.000 2.252 620 I HA -0.291 3.876 4.170 -0.006 0.000 0.245 620 I C 2.591 178.435 176.117 -0.456 0.000 1.102 620 I CA 1.153 62.245 61.300 -0.346 0.000 1.385 620 I CB -0.316 37.438 38.000 -0.409 0.000 1.064 620 I HN 0.152 nan 8.210 nan 0.000 0.414 621 K N 1.682 121.824 120.400 -0.431 0.000 2.057 621 K HA -0.163 4.154 4.320 -0.006 0.000 0.207 621 K C 2.028 178.441 176.600 -0.311 0.000 1.049 621 K CA 1.478 57.403 56.287 -0.604 0.000 0.931 621 K CB -0.592 31.245 32.500 -1.104 0.000 0.714 621 K HN 0.246 nan 8.250 nan 0.000 0.440 622 L N 0.352 121.427 121.223 -0.247 0.000 1.970 622 L HA -0.188 4.148 4.340 -0.006 0.000 0.212 622 L C 2.225 178.830 176.870 -0.443 0.000 1.071 622 L CA 1.879 56.374 54.840 -0.575 0.000 0.751 622 L CB -0.353 41.315 42.059 -0.652 0.000 0.889 622 L HN 0.254 nan 8.230 nan 0.000 0.432 623 I N 0.040 120.419 120.570 -0.318 0.000 2.185 623 I HA -0.363 3.803 4.170 -0.006 0.000 0.246 623 I C 2.493 178.488 176.117 -0.203 0.000 1.088 623 I CA 2.057 63.227 61.300 -0.216 0.000 1.347 623 I CB -0.693 37.291 38.000 -0.026 0.000 1.041 623 I HN 0.515 nan 8.210 nan 0.000 0.415 624 T N -3.323 111.086 114.554 -0.241 0.000 3.055 624 T HA 0.012 4.358 4.350 -0.006 0.000 0.265 624 T C 1.816 176.413 174.700 -0.172 0.000 1.111 624 T CA 1.037 63.019 62.100 -0.196 0.000 1.118 624 T CB -0.055 68.657 68.868 -0.260 0.000 0.909 624 T HN 0.185 nan 8.240 nan 0.000 0.501 625 S N 0.950 116.534 115.700 -0.193 0.000 2.377 625 S HA 0.054 4.521 4.470 -0.006 0.000 0.223 625 S C 2.169 176.697 174.600 -0.120 0.000 1.030 625 S CA 0.721 58.865 58.200 -0.093 0.000 0.970 625 S CB -0.355 62.863 63.200 0.030 0.000 0.830 625 S HN 0.380 nan 8.310 nan 0.000 0.473 626 V N 2.425 122.122 119.914 -0.362 0.000 2.261 626 V HA -0.194 3.923 4.120 -0.006 0.000 0.246 626 V C 2.731 178.677 176.094 -0.246 0.000 1.047 626 V CA 1.729 63.711 62.300 -0.531 0.000 1.015 626 V CB -1.338 30.045 31.823 -0.734 0.000 0.642 626 V HN 0.516 nan 8.190 nan 0.000 0.446 627 A N 0.151 122.852 122.820 -0.199 0.000 1.884 627 A HA -0.352 3.964 4.320 -0.006 0.000 0.219 627 A C 1.991 179.520 177.584 -0.092 0.000 1.197 627 A CA 2.469 54.429 52.037 -0.129 0.000 0.637 627 A CB -0.945 17.996 19.000 -0.098 0.000 0.827 627 A HN 0.549 nan 8.150 nan 0.000 0.450 628 D N -0.729 119.627 120.400 -0.074 0.000 2.190 628 D HA -0.098 4.539 4.640 -0.006 0.000 0.200 628 D C 1.898 178.171 176.300 -0.045 0.000 0.992 628 D CA 1.377 55.350 54.000 -0.045 0.000 0.854 628 D CB -0.258 40.520 40.800 -0.036 0.000 0.936 628 D HN 0.244 nan 8.370 nan 0.000 0.462 629 V N -0.028 119.858 119.914 -0.047 0.000 2.788 629 V HA -0.102 4.015 4.120 -0.006 0.000 0.251 629 V C 2.335 178.340 176.094 -0.150 0.000 1.068 629 V CA 0.662 62.918 62.300 -0.073 0.000 1.090 629 V CB 0.275 32.125 31.823 0.045 0.000 0.710 629 V HN 0.055 nan 8.190 nan 0.000 0.467 630 V N 0.297 120.110 119.914 -0.168 0.000 2.599 630 V HA -0.055 4.061 4.120 -0.006 0.000 0.245 630 V C 2.093 178.193 176.094 0.010 0.000 1.046 630 V CA 1.354 63.589 62.300 -0.107 0.000 1.065 630 V CB -0.613 31.145 31.823 -0.107 0.000 0.703 630 V HN 0.540 nan 8.190 nan 0.000 0.464 631 N N 1.078 119.766 118.700 -0.020 0.000 2.396 631 N HA -0.061 4.675 4.740 -0.006 0.000 0.180 631 N C 1.175 176.691 175.510 0.010 0.000 1.028 631 N CA 0.855 53.902 53.050 -0.005 0.000 0.893 631 N CB -0.249 38.226 38.487 -0.020 0.000 0.967 631 N HN 0.483 nan 8.380 nan 0.000 0.440 632 N N 0.719 119.425 118.700 0.011 0.000 2.230 632 N HA -0.031 4.706 4.740 -0.006 0.000 0.202 632 N C -0.456 175.075 175.510 0.035 0.000 1.119 632 N CA 0.064 53.123 53.050 0.015 0.000 0.851 632 N CB 0.577 39.064 38.487 -0.001 0.000 0.990 632 N HN 0.153 nan 8.380 nan 0.000 0.497 633 D N 2.304 122.748 120.400 0.074 0.000 2.339 633 D HA 0.109 4.746 4.640 -0.006 0.000 0.241 633 D C -1.304 175.037 176.300 0.068 0.000 1.183 633 D CA -1.850 52.218 54.000 0.113 0.000 0.859 633 D CB 1.931 42.896 40.800 0.275 0.000 1.067 633 D HN 0.055 nan 8.370 nan 0.000 0.484 634 P HA -0.163 nan 4.420 nan 0.000 0.220 634 P C 1.437 178.740 177.300 0.003 0.000 1.148 634 P CA 0.503 63.614 63.100 0.017 0.000 0.803 634 P CB 0.331 32.037 31.700 0.011 0.000 0.782 635 M N -0.617 118.982 119.600 -0.001 0.000 2.374 635 M HA -0.057 4.420 4.480 -0.006 0.000 0.264 635 M C 1.747 178.009 176.300 -0.063 0.000 1.067 635 M CA 1.248 56.526 55.300 -0.037 0.000 1.103 635 M CB -0.866 31.699 32.600 -0.058 0.000 1.402 635 M HN -0.249 nan 8.290 nan 0.000 0.444 636 V N -1.440 118.453 119.914 -0.035 0.000 2.795 636 V HA 0.267 4.383 4.120 -0.006 0.000 0.243 636 V C 1.857 177.927 176.094 -0.040 0.000 1.069 636 V CA 0.758 63.021 62.300 -0.062 0.000 1.089 636 V CB -1.179 30.655 31.823 0.018 0.000 0.756 636 V HN 0.594 nan 8.190 nan 0.000 0.471 637 G N 1.655 110.452 108.800 -0.006 0.000 2.684 637 G HA2 -0.448 3.508 3.960 -0.006 0.000 0.332 637 G HA3 -0.448 3.508 3.960 -0.006 0.000 0.332 637 G C 1.208 176.111 174.900 0.006 0.000 1.306 637 G CA 1.459 46.559 45.100 0.001 0.000 1.002 637 G HN 1.012 nan 8.290 nan 0.000 0.545 638 S N 0.252 115.960 115.700 0.013 0.000 2.607 638 S HA 0.154 4.620 4.470 -0.006 0.000 0.224 638 S C 1.775 176.402 174.600 0.045 0.000 0.969 638 S CA 1.486 59.704 58.200 0.030 0.000 0.927 638 S CB 0.163 63.385 63.200 0.036 0.000 0.772 638 S HN 0.685 nan 8.310 nan 0.000 0.533 639 K N -0.151 120.261 120.400 0.021 0.000 2.031 639 K HA 0.194 4.511 4.320 -0.006 0.000 0.205 639 K C -0.004 176.648 176.600 0.087 0.000 1.049 639 K CA 0.711 57.026 56.287 0.046 0.000 0.939 639 K CB -0.059 32.363 32.500 -0.131 0.000 0.717 639 K HN 0.365 nan 8.250 nan 0.000 0.438 640 L N 1.062 122.288 121.223 0.005 0.000 2.476 640 L HA 0.308 4.645 4.340 -0.006 0.000 0.269 640 L C -1.802 175.072 176.870 0.007 0.000 0.965 640 L CA -0.459 54.401 54.840 0.033 0.000 0.845 640 L CB 1.690 43.742 42.059 -0.012 0.000 1.259 640 L HN -0.226 nan 8.230 nan 0.000 0.403 641 K N 4.080 124.475 120.400 -0.009 0.000 2.316 641 K HA 0.772 5.089 4.320 -0.006 0.000 0.251 641 K C -1.410 175.141 176.600 -0.083 0.000 0.934 641 K CA -0.676 55.584 56.287 -0.046 0.000 0.802 641 K CB 2.702 35.169 32.500 -0.055 0.000 1.171 641 K HN 0.378 nan 8.250 nan 0.000 0.426 642 V N 3.836 123.690 119.914 -0.099 0.000 2.604 642 V HA 0.580 4.697 4.120 -0.006 0.000 0.305 642 V C -0.304 175.699 176.094 -0.151 0.000 1.043 642 V CA -0.851 61.377 62.300 -0.120 0.000 0.888 642 V CB 1.917 33.673 31.823 -0.111 0.000 0.995 642 V HN 0.610 nan 8.190 nan 0.000 0.429 643 I N 3.997 124.453 120.570 -0.190 0.000 2.571 643 I HA 0.379 4.545 4.170 -0.006 0.000 0.289 643 I C -1.338 174.657 176.117 -0.203 0.000 1.115 643 I CA -0.392 60.741 61.300 -0.279 0.000 1.045 643 I CB 2.384 40.111 38.000 -0.455 0.000 1.238 643 I HN 0.556 nan 8.210 nan 0.000 0.424 644 F N 7.419 127.227 119.950 -0.238 0.000 2.375 644 F HA 0.400 4.923 4.527 -0.006 0.000 0.362 644 F C -0.241 175.509 175.800 -0.083 0.000 1.129 644 F CA -0.670 57.253 58.000 -0.128 0.000 1.154 644 F CB 0.816 39.775 39.000 -0.069 0.000 1.205 644 F HN 0.307 nan 8.300 nan 0.000 0.513 645 L N 7.004 127.999 121.223 -0.380 0.000 2.456 645 L HA 0.164 4.500 4.340 -0.006 0.000 0.277 645 L C -0.018 176.896 176.870 0.073 0.000 1.124 645 L CA 0.305 55.111 54.840 -0.058 0.000 0.880 645 L CB -0.144 41.895 42.059 -0.034 0.000 1.192 645 L HN 0.566 nan 8.230 nan 0.000 0.463 646 E N 3.988 124.423 120.200 0.392 0.000 2.383 646 E HA 0.010 4.357 4.350 -0.006 0.000 0.264 646 E C 0.511 177.302 176.600 0.318 0.000 1.050 646 E CA -0.179 56.464 56.400 0.406 0.000 0.896 646 E CB 0.252 30.189 29.700 0.394 0.000 0.982 646 E HN 0.607 nan 8.360 nan 0.000 0.424 647 N N 1.736 120.610 118.700 0.290 0.000 2.714 647 N HA -0.259 4.478 4.740 -0.006 0.000 0.253 647 N C -1.308 174.310 175.510 0.181 0.000 1.024 647 N CA 0.369 53.540 53.050 0.201 0.000 0.726 647 N CB -1.416 37.178 38.487 0.178 0.000 0.908 647 N HN 0.471 nan 8.380 nan 0.000 0.542 648 Y N 1.432 121.766 120.300 0.057 0.000 2.717 648 Y HA 0.175 4.721 4.550 -0.005 0.000 0.330 648 Y C 1.141 177.050 175.900 0.016 0.000 1.217 648 Y CA 0.665 58.777 58.100 0.020 0.000 1.506 648 Y CB 0.323 38.767 38.460 -0.027 0.000 1.268 648 Y HN 0.413 nan 8.280 nan 0.000 0.561 649 R N 2.427 122.566 120.500 -0.603 0.000 2.762 649 R HA 0.489 4.826 4.340 -0.006 0.000 0.271 649 R C -0.417 175.505 176.300 -0.630 0.000 1.038 649 R CA -0.567 55.226 56.100 -0.511 0.000 0.906 649 R CB 0.297 30.478 30.300 -0.199 0.000 1.259 649 R HN 0.350 nan 8.270 nan 0.000 0.457 650 V N 1.014 120.577 119.914 -0.585 0.000 2.233 650 V HA -0.295 3.821 4.120 -0.006 0.000 0.247 650 V C 2.534 178.480 176.094 -0.246 0.000 1.050 650 V CA 2.830 64.877 62.300 -0.421 0.000 1.010 650 V CB -0.900 30.634 31.823 -0.483 0.000 0.637 650 V HN 0.936 nan 8.190 nan 0.000 0.444 651 S N 0.151 115.714 115.700 -0.229 0.000 2.419 651 S HA -0.163 4.304 4.470 -0.006 0.000 0.233 651 S C 1.866 176.381 174.600 -0.141 0.000 1.016 651 S CA 1.701 59.796 58.200 -0.174 0.000 0.974 651 S CB -0.504 62.621 63.200 -0.125 0.000 0.786 651 S HN 0.408 nan 8.310 nan 0.000 0.492 652 L N 1.492 122.627 121.223 -0.146 0.000 2.270 652 L HA 0.437 4.774 4.340 -0.006 0.000 0.210 652 L C 2.509 179.340 176.870 -0.065 0.000 1.104 652 L CA 1.154 55.932 54.840 -0.104 0.000 0.804 652 L CB -1.006 41.037 42.059 -0.026 0.000 0.937 652 L HN 0.322 nan 8.230 nan 0.000 0.450 653 A N -0.672 122.087 122.820 -0.101 0.000 2.015 653 A HA -0.170 4.147 4.320 -0.006 0.000 0.219 653 A C 2.061 179.703 177.584 0.096 0.000 1.163 653 A CA 1.503 53.568 52.037 0.046 0.000 0.646 653 A CB -0.498 18.483 19.000 -0.031 0.000 0.806 653 A HN 0.595 nan 8.150 nan 0.000 0.448 654 E N -0.235 120.015 120.200 0.084 0.000 2.338 654 E HA -0.131 4.215 4.350 -0.006 0.000 0.197 654 E C 1.721 178.283 176.600 -0.064 0.000 1.007 654 E CA 0.998 57.415 56.400 0.028 0.000 0.849 654 E CB -0.016 29.590 29.700 -0.157 0.000 0.774 654 E HN 0.622 nan 8.360 nan 0.000 0.506 655 K N 0.181 120.506 120.400 -0.124 0.000 2.121 655 K HA 0.029 4.346 4.320 -0.006 0.000 0.203 655 K C 2.211 178.548 176.600 -0.439 0.000 1.041 655 K CA 0.444 56.620 56.287 -0.186 0.000 0.969 655 K CB -0.129 32.261 32.500 -0.183 0.000 0.799 655 K HN -0.057 nan 8.250 nan 0.000 0.456 656 V N 2.218 121.782 119.914 -0.583 0.000 2.358 656 V HA -0.188 3.929 4.120 -0.006 0.000 0.246 656 V C 1.984 177.838 176.094 -0.400 0.000 1.047 656 V CA 1.399 63.144 62.300 -0.926 0.000 1.035 656 V CB -0.229 31.295 31.823 -0.499 0.000 0.658 656 V HN 0.253 nan 8.190 nan 0.000 0.452 657 I N 0.608 121.034 120.570 -0.240 0.000 2.091 657 I HA -0.182 3.985 4.170 -0.006 0.000 0.239 657 I C -0.174 175.897 176.117 -0.078 0.000 1.061 657 I CA 2.122 63.272 61.300 -0.250 0.000 1.317 657 I CB -1.657 36.029 38.000 -0.522 0.000 1.031 657 I HN 0.359 nan 8.210 nan 0.000 0.401 658 P HA -0.133 nan 4.420 nan 0.000 0.223 658 P C 0.634 177.937 177.300 0.004 0.000 1.144 658 P CA 1.259 64.349 63.100 -0.017 0.000 0.783 658 P CB 0.001 31.688 31.700 -0.022 0.000 0.771 659 A N -1.219 121.579 122.820 -0.036 0.000 2.423 659 A HA 0.211 4.527 4.320 -0.006 0.000 0.246 659 A C 0.917 178.596 177.584 0.160 0.000 1.278 659 A CA 0.257 52.312 52.037 0.030 0.000 0.903 659 A CB -0.787 18.210 19.000 -0.004 0.000 0.997 659 A HN 0.236 nan 8.150 nan 0.000 0.510 660 T N -3.352 111.316 114.554 0.191 0.000 2.925 660 T HA 0.434 4.780 4.350 -0.006 0.000 0.285 660 T C -0.079 174.763 174.700 0.237 0.000 1.021 660 T CA -0.398 61.859 62.100 0.263 0.000 1.042 660 T CB 1.541 70.569 68.868 0.267 0.000 1.037 660 T HN 0.099 nan 8.240 nan 0.000 0.481 661 D N 0.921 121.466 120.400 0.242 0.000 2.490 661 D HA 0.145 4.782 4.640 -0.006 0.000 0.244 661 D C 0.197 176.752 176.300 0.425 0.000 0.979 661 D CA 0.341 54.573 54.000 0.386 0.000 0.924 661 D CB 0.371 41.329 40.800 0.263 0.000 1.075 661 D HN 0.351 nan 8.370 nan 0.000 0.488 662 L N 0.740 122.079 121.223 0.192 0.000 2.333 662 L HA 0.354 4.690 4.340 -0.006 0.000 0.280 662 L C -0.656 176.105 176.870 -0.181 0.000 1.004 662 L CA -0.473 54.406 54.840 0.065 0.000 0.820 662 L CB 2.055 44.135 42.059 0.035 0.000 1.247 662 L HN -0.265 nan 8.230 nan 0.000 0.416 663 S N 3.942 119.464 115.700 -0.297 0.000 2.442 663 S HA 0.474 4.940 4.470 -0.006 0.000 0.297 663 S C -0.582 173.802 174.600 -0.360 0.000 1.131 663 S CA -0.676 57.138 58.200 -0.644 0.000 1.092 663 S CB 0.525 63.231 63.200 -0.823 0.000 0.998 663 S HN 0.634 nan 8.310 nan 0.000 0.478 664 E N 3.741 123.734 120.200 -0.345 0.000 2.152 664 E HA 0.235 4.582 4.350 -0.006 0.000 0.285 664 E C -0.491 176.024 176.600 -0.141 0.000 1.043 664 E CA -0.316 55.986 56.400 -0.164 0.000 0.839 664 E CB 1.068 30.687 29.700 -0.135 0.000 1.069 664 E HN 0.593 nan 8.360 nan 0.000 0.399 665 Q N 2.650 122.414 119.800 -0.059 0.000 3.048 665 Q HA 0.233 4.570 4.340 -0.006 0.000 0.337 665 Q C 0.612 176.602 176.000 -0.016 0.000 0.845 665 Q CA -0.085 55.687 55.803 -0.050 0.000 0.942 665 Q CB 0.120 28.830 28.738 -0.047 0.000 1.454 665 Q HN 0.610 nan 8.270 nan 0.000 0.392 666 I N -1.687 118.866 120.570 -0.028 0.000 3.850 666 I HA 0.245 4.411 4.170 -0.006 0.000 0.333 666 I C 0.459 176.527 176.117 -0.082 0.000 1.511 666 I CA -0.546 60.747 61.300 -0.013 0.000 1.199 666 I CB 0.050 38.035 38.000 -0.024 0.000 1.217 666 I HN -0.054 nan 8.210 nan 0.000 0.423 667 S N 0.448 116.103 115.700 -0.075 0.000 2.576 667 S HA 0.189 4.656 4.470 -0.006 0.000 0.272 667 S C 0.584 175.163 174.600 -0.035 0.000 1.352 667 S CA -0.415 57.764 58.200 -0.036 0.000 1.021 667 S CB 0.330 63.571 63.200 0.068 0.000 0.887 667 S HN 0.417 nan 8.310 nan 0.000 0.542 668 T N 2.135 116.701 114.554 0.020 0.000 2.928 668 T HA 0.404 4.751 4.350 -0.006 0.000 0.305 668 T C 0.657 175.355 174.700 -0.003 0.000 1.035 668 T CA 0.104 62.215 62.100 0.018 0.000 1.145 668 T CB 0.143 69.094 68.868 0.138 0.000 0.963 668 T HN 0.991 nan 8.240 nan 0.000 0.545 669 A N 2.305 125.094 122.820 -0.050 0.000 2.553 669 A HA 0.463 4.779 4.320 -0.006 0.000 0.258 669 A C 1.618 179.190 177.584 -0.020 0.000 1.069 669 A CA 0.260 52.267 52.037 -0.050 0.000 0.767 669 A CB -1.129 17.830 19.000 -0.069 0.000 0.997 669 A HN 1.688 nan 8.150 nan 0.000 0.512 670 G N 1.701 110.494 108.800 -0.012 0.000 2.179 670 G HA2 -0.252 3.705 3.960 -0.006 0.000 0.220 670 G HA3 -0.252 3.705 3.960 -0.006 0.000 0.220 670 G C 0.927 175.818 174.900 -0.014 0.000 0.990 670 G CA 1.000 46.099 45.100 -0.002 0.000 0.646 670 G HN 1.802 nan 8.290 nan 0.000 0.517 671 T N -2.255 112.277 114.554 -0.037 0.000 3.010 671 T HA 0.309 4.655 4.350 -0.006 0.000 0.252 671 T C 0.699 175.240 174.700 -0.264 0.000 1.047 671 T CA 0.867 62.860 62.100 -0.178 0.000 1.140 671 T CB 0.341 69.097 68.868 -0.188 0.000 0.885 671 T HN 0.179 nan 8.240 nan 0.000 0.464 672 E N 1.657 121.821 120.200 -0.060 0.000 2.105 672 E HA 0.520 4.867 4.350 -0.006 0.000 0.285 672 E C 1.089 177.640 176.600 -0.080 0.000 1.055 672 E CA -0.033 56.364 56.400 -0.006 0.000 0.843 672 E CB 1.344 31.089 29.700 0.075 0.000 1.067 672 E HN 0.460 nan 8.360 nan 0.000 0.398 673 A N 3.058 125.756 122.820 -0.203 0.000 1.940 673 A HA -0.193 4.124 4.320 -0.006 0.000 0.219 673 A C 1.855 179.306 177.584 -0.221 0.000 1.176 673 A CA 2.336 54.082 52.037 -0.486 0.000 0.631 673 A CB 0.178 18.597 19.000 -0.968 0.000 0.814 673 A HN 0.574 nan 8.150 nan 0.000 0.446 674 S N -4.322 111.315 115.700 -0.105 0.000 4.997 674 S HA 0.428 4.895 4.470 -0.006 0.000 0.169 674 S C 0.588 175.175 174.600 -0.022 0.000 1.122 674 S CA 1.308 59.491 58.200 -0.028 0.000 1.305 674 S CB -0.316 62.887 63.200 0.005 0.000 1.806 674 S HN 2.293 nan 8.310 nan 0.000 0.547 675 G N 0.460 109.251 108.800 -0.015 0.000 2.721 675 G HA2 -0.010 3.946 3.960 -0.006 0.000 0.686 675 G HA3 -0.010 3.946 3.960 -0.006 0.000 0.686 675 G C 0.247 175.117 174.900 -0.049 0.000 1.236 675 G CA 0.440 45.527 45.100 -0.021 0.000 0.786 675 G HN 1.431 nan 8.290 nan 0.000 0.616 676 T N -1.753 112.758 114.554 -0.072 0.000 2.966 676 T HA 0.385 4.732 4.350 -0.006 0.000 0.254 676 T C 2.341 176.920 174.700 -0.202 0.000 0.961 676 T CA 1.243 63.269 62.100 -0.124 0.000 0.915 676 T CB 0.423 69.217 68.868 -0.122 0.000 1.186 676 T HN 1.852 nan 8.240 nan 0.000 0.505 677 G N 2.992 111.698 108.800 -0.158 0.000 2.422 677 G HA2 -0.224 3.733 3.960 -0.006 0.000 0.218 677 G HA3 -0.224 3.733 3.960 -0.006 0.000 0.218 677 G C 1.471 176.366 174.900 -0.009 0.000 1.146 677 G CA 1.047 46.047 45.100 -0.168 0.000 0.769 677 G HN 0.823 nan 8.290 nan 0.000 0.547 678 N N 0.006 118.710 118.700 0.007 0.000 2.223 678 N HA -0.103 4.633 4.740 -0.006 0.000 0.185 678 N C 2.182 177.650 175.510 -0.071 0.000 1.016 678 N CA 1.087 54.149 53.050 0.020 0.000 0.863 678 N CB -0.321 38.119 38.487 -0.078 0.000 0.983 678 N HN 0.330 nan 8.380 nan 0.000 0.429 679 M N 0.683 120.173 119.600 -0.183 0.000 2.200 679 M HA 0.001 4.477 4.480 -0.006 0.000 0.265 679 M C 1.977 178.190 176.300 -0.146 0.000 1.066 679 M CA 1.296 56.463 55.300 -0.223 0.000 1.127 679 M CB -0.033 32.448 32.600 -0.198 0.000 1.379 679 M HN 0.100 nan 8.290 nan 0.000 0.420 680 K N 0.192 120.434 120.400 -0.263 0.000 2.026 680 K HA -0.105 4.212 4.320 -0.006 0.000 0.208 680 K C 1.700 178.148 176.600 -0.254 0.000 1.048 680 K CA 1.455 57.510 56.287 -0.386 0.000 0.929 680 K CB -0.248 31.765 32.500 -0.810 0.000 0.713 680 K HN 0.190 nan 8.250 nan 0.000 0.439 681 F N 1.044 120.911 119.950 -0.139 0.000 2.146 681 F HA -0.148 4.376 4.527 -0.005 0.000 0.298 681 F C 2.627 178.397 175.800 -0.049 0.000 1.096 681 F CA 1.035 58.987 58.000 -0.079 0.000 1.275 681 F CB -0.276 38.677 39.000 -0.078 0.000 1.008 681 F HN 0.007 nan 8.300 nan 0.000 0.480 682 M N -0.037 119.636 119.600 0.122 0.000 2.108 682 M HA -0.235 4.242 4.480 -0.006 0.000 0.261 682 M C 2.113 178.451 176.300 0.064 0.000 1.066 682 M CA 1.738 57.075 55.300 0.062 0.000 1.107 682 M CB -0.313 32.289 32.600 0.003 0.000 1.356 682 M HN 0.296 nan 8.290 nan 0.000 0.406 683 L N 0.040 121.299 121.223 0.060 0.000 2.291 683 L HA -0.122 4.215 4.340 -0.006 0.000 0.214 683 L C 1.275 178.179 176.870 0.058 0.000 1.120 683 L CA 0.873 55.755 54.840 0.070 0.000 0.799 683 L CB -0.357 41.756 42.059 0.090 0.000 0.925 683 L HN 0.431 nan 8.230 nan 0.000 0.446 684 N N -0.111 118.622 118.700 0.056 0.000 2.270 684 N HA 0.059 4.795 4.740 -0.006 0.000 0.198 684 N C 0.868 176.420 175.510 0.070 0.000 1.117 684 N CA 0.863 53.945 53.050 0.054 0.000 0.845 684 N CB 0.849 39.356 38.487 0.034 0.000 0.980 684 N HN 0.403 nan 8.380 nan 0.000 0.486 685 G N 0.414 109.259 108.800 0.075 0.000 2.141 685 G HA2 -0.148 3.808 3.960 -0.006 0.000 0.195 685 G HA3 -0.148 3.808 3.960 -0.006 0.000 0.195 685 G C -0.115 174.863 174.900 0.131 0.000 1.012 685 G CA 0.059 45.207 45.100 0.079 0.000 0.696 685 G HN 0.503 nan 8.290 nan 0.000 0.508 686 A N -0.411 122.493 122.820 0.140 0.000 2.337 686 A HA 0.921 5.237 4.320 -0.006 0.000 0.331 686 A C 0.230 177.838 177.584 0.040 0.000 1.137 686 A CA -0.684 51.447 52.037 0.157 0.000 0.807 686 A CB 1.245 20.365 19.000 0.199 0.000 1.250 686 A HN 0.691 nan 8.150 nan 0.000 0.468 687 L N 0.493 121.706 121.223 -0.018 0.000 2.399 687 L HA 0.512 4.849 4.340 -0.006 0.000 0.265 687 L C 0.087 176.952 176.870 -0.007 0.000 1.089 687 L CA -0.419 54.361 54.840 -0.101 0.000 0.802 687 L CB 1.775 43.657 42.059 -0.296 0.000 1.180 687 L HN 0.713 nan 8.230 nan 0.000 0.454 688 T N 2.421 117.001 114.554 0.044 0.000 2.807 688 T HA 0.505 4.851 4.350 -0.006 0.000 0.279 688 T C -0.563 174.234 174.700 0.162 0.000 0.993 688 T CA -0.268 61.857 62.100 0.042 0.000 0.970 688 T CB 1.658 70.527 68.868 0.002 0.000 0.950 688 T HN 0.344 nan 8.240 nan 0.000 0.441 689 I N 2.540 123.181 120.570 0.119 0.000 2.378 689 I HA 0.761 4.928 4.170 -0.006 0.000 0.291 689 I C 0.038 176.317 176.117 0.270 0.000 0.992 689 I CA 0.112 61.546 61.300 0.223 0.000 1.154 689 I CB 0.766 38.810 38.000 0.073 0.000 1.315 689 I HN 0.823 nan 8.210 nan 0.000 0.448 690 G N 3.798 112.846 108.800 0.414 0.000 2.356 690 G HA2 0.364 4.321 3.960 -0.006 0.000 0.294 690 G HA3 0.364 4.321 3.960 -0.006 0.000 0.294 690 G C -0.918 173.903 174.900 -0.131 0.000 1.423 690 G CA -0.182 45.058 45.100 0.234 0.000 0.806 690 G HN 0.643 nan 8.290 nan 0.000 0.527 691 T N -1.594 112.748 114.554 -0.353 0.000 2.824 691 T HA 0.544 4.891 4.350 -0.006 0.000 0.277 691 T C 0.851 175.426 174.700 -0.207 0.000 0.975 691 T CA -0.645 61.182 62.100 -0.456 0.000 0.966 691 T CB 1.062 69.675 68.868 -0.425 0.000 1.054 691 T HN 0.298 nan 8.240 nan 0.000 0.533 692 M N 2.472 121.969 119.600 -0.172 0.000 3.706 692 M HA 0.308 4.784 4.480 -0.006 0.000 0.204 692 M C -0.441 175.817 176.300 -0.070 0.000 1.455 692 M CA -0.101 55.145 55.300 -0.091 0.000 1.659 692 M CB -1.740 30.818 32.600 -0.071 0.000 1.076 692 M HN 0.694 nan 8.290 nan 0.000 0.577 693 D N -0.523 119.837 120.400 -0.067 0.000 2.419 693 D HA 0.676 5.312 4.640 -0.006 0.000 0.234 693 D C 0.876 177.165 176.300 -0.019 0.000 1.014 693 D CA 0.678 54.655 54.000 -0.039 0.000 0.919 693 D CB 1.763 42.537 40.800 -0.043 0.000 1.366 693 D HN 0.540 nan 8.370 nan 0.000 0.490 694 G N 1.391 110.192 108.800 0.002 0.000 2.661 694 G HA2 -0.299 3.658 3.960 -0.006 0.000 0.327 694 G HA3 -0.299 3.658 3.960 -0.006 0.000 0.327 694 G C 1.036 175.946 174.900 0.017 0.000 1.320 694 G CA 1.379 46.485 45.100 0.010 0.000 0.997 694 G HN 0.978 nan 8.290 nan 0.000 0.543 695 A N -0.379 122.440 122.820 -0.002 0.000 2.168 695 A HA 0.083 4.400 4.320 -0.006 0.000 0.215 695 A C 2.136 179.682 177.584 -0.063 0.000 1.152 695 A CA 1.867 53.900 52.037 -0.006 0.000 0.716 695 A CB -0.437 18.528 19.000 -0.058 0.000 0.794 695 A HN 0.603 nan 8.150 nan 0.000 0.465 696 N N 0.561 119.221 118.700 -0.066 0.000 2.094 696 N HA -0.157 4.580 4.740 -0.006 0.000 0.191 696 N C 1.660 177.155 175.510 -0.025 0.000 1.023 696 N CA 1.654 54.663 53.050 -0.069 0.000 0.857 696 N CB -0.636 37.817 38.487 -0.057 0.000 1.013 696 N HN 0.279 nan 8.380 nan 0.000 0.426 697 V N 1.539 121.453 119.914 0.000 0.000 2.255 697 V HA -0.233 3.884 4.120 -0.006 0.000 0.247 697 V C 1.979 178.114 176.094 0.069 0.000 1.051 697 V CA 1.745 64.059 62.300 0.023 0.000 1.018 697 V CB -0.575 31.263 31.823 0.025 0.000 0.641 697 V HN 0.379 nan 8.190 nan 0.000 0.445 698 E N -0.607 119.668 120.200 0.124 0.000 2.204 698 E HA -0.206 4.140 4.350 -0.006 0.000 0.195 698 E C 2.151 178.977 176.600 0.378 0.000 0.990 698 E CA 1.239 57.780 56.400 0.235 0.000 0.821 698 E CB -0.215 29.679 29.700 0.324 0.000 0.750 698 E HN 0.570 nan 8.360 nan 0.000 0.477 699 M N 0.272 120.016 119.600 0.240 0.000 2.156 699 M HA -0.093 4.383 4.480 -0.006 0.000 0.264 699 M C 2.476 178.857 176.300 0.135 0.000 1.067 699 M CA 1.308 56.716 55.300 0.180 0.000 1.131 699 M CB -0.101 32.412 32.600 -0.144 0.000 1.368 699 M HN 0.126 nan 8.290 nan 0.000 0.416 700 A N 0.422 123.281 122.820 0.066 0.000 1.902 700 A HA -0.190 4.127 4.320 -0.006 0.000 0.217 700 A C 1.914 179.527 177.584 0.049 0.000 1.181 700 A CA 1.747 53.804 52.037 0.033 0.000 0.623 700 A CB -0.717 18.288 19.000 0.009 0.000 0.818 700 A HN 0.536 nan 8.150 nan 0.000 0.443 701 E N -0.295 119.947 120.200 0.071 0.000 2.038 701 E HA -0.215 4.131 4.350 -0.006 0.000 0.195 701 E C 1.999 178.633 176.600 0.057 0.000 1.000 701 E CA 1.349 57.783 56.400 0.056 0.000 0.803 701 E CB -0.223 29.514 29.700 0.060 0.000 0.750 701 E HN 0.581 nan 8.360 nan 0.000 0.448 702 E N 0.395 120.654 120.200 0.099 0.000 2.047 702 E HA -0.121 4.225 4.350 -0.006 0.000 0.191 702 E C 1.936 178.589 176.600 0.088 0.000 0.987 702 E CA 1.163 57.614 56.400 0.085 0.000 0.799 702 E CB -0.203 29.568 29.700 0.118 0.000 0.752 702 E HN 0.246 nan 8.360 nan 0.000 0.449 703 A N 0.304 123.182 122.820 0.098 0.000 2.081 703 A HA 0.370 4.686 4.320 -0.006 0.000 0.214 703 A C 1.038 178.642 177.584 0.034 0.000 1.158 703 A CA 1.055 53.136 52.037 0.074 0.000 0.724 703 A CB 0.142 19.175 19.000 0.055 0.000 0.826 703 A HN 0.262 nan 8.150 nan 0.000 0.463 704 G N -0.549 108.262 108.800 0.018 0.000 3.367 704 G HA2 -0.075 3.882 3.960 -0.006 0.000 0.686 704 G HA3 -0.075 3.882 3.960 -0.006 0.000 0.686 704 G C 0.057 174.938 174.900 -0.032 0.000 1.146 704 G CA 0.199 45.295 45.100 -0.008 0.000 0.913 704 G HN 0.272 nan 8.290 nan 0.000 0.554 705 E N 0.669 120.850 120.200 -0.031 0.000 2.114 705 E HA -0.253 4.094 4.350 -0.006 0.000 0.199 705 E C 2.335 178.882 176.600 -0.089 0.000 1.008 705 E CA 2.017 58.390 56.400 -0.046 0.000 0.810 705 E CB 0.018 29.699 29.700 -0.032 0.000 0.739 705 E HN 0.828 nan 8.360 nan 0.000 0.456 706 E N -0.284 119.861 120.200 -0.091 0.000 2.265 706 E HA -0.184 4.163 4.350 -0.006 0.000 0.196 706 E C 1.218 177.690 176.600 -0.214 0.000 0.996 706 E CA 0.861 57.181 56.400 -0.134 0.000 0.832 706 E CB -0.181 29.463 29.700 -0.093 0.000 0.756 706 E HN 0.190 nan 8.360 nan 0.000 0.491 707 N N 0.258 118.852 118.700 -0.177 0.000 2.383 707 N HA 0.139 4.875 4.740 -0.006 0.000 0.192 707 N C -0.671 174.675 175.510 -0.273 0.000 1.141 707 N CA 0.318 53.241 53.050 -0.211 0.000 0.851 707 N CB 0.416 38.837 38.487 -0.110 0.000 0.976 707 N HN 0.117 nan 8.380 nan 0.000 0.465 708 L N -0.459 120.590 121.223 -0.290 0.000 2.388 708 L HA 0.409 4.746 4.340 -0.006 0.000 0.264 708 L C -0.578 176.105 176.870 -0.312 0.000 0.998 708 L CA -0.537 54.163 54.840 -0.233 0.000 0.817 708 L CB 1.549 43.560 42.059 -0.079 0.000 1.338 708 L HN -0.146 nan 8.230 nan 0.000 0.414 709 F N 3.557 123.501 119.950 -0.009 0.000 2.605 709 F HA 0.310 4.833 4.527 -0.006 0.000 0.352 709 F C 0.262 176.145 175.800 0.138 0.000 1.236 709 F CA -0.336 57.687 58.000 0.039 0.000 1.267 709 F CB -0.262 38.744 39.000 0.011 0.000 1.632 709 F HN 0.093 nan 8.300 nan 0.000 0.639 710 I N 3.060 123.740 120.570 0.183 0.000 2.638 710 I HA 0.269 4.436 4.170 -0.006 0.000 0.286 710 I C 0.096 176.376 176.117 0.271 0.000 1.088 710 I CA -0.449 60.948 61.300 0.161 0.000 1.397 710 I CB 0.235 38.254 38.000 0.032 0.000 1.414 710 I HN 0.375 nan 8.210 nan 0.000 0.566 711 F N 1.823 121.806 119.950 0.055 0.000 2.831 711 F HA 0.782 5.306 4.527 -0.006 0.000 0.318 711 F C 0.139 175.966 175.800 0.046 0.000 1.174 711 F CA -0.380 57.656 58.000 0.060 0.000 0.918 711 F CB 0.804 39.858 39.000 0.090 0.000 1.364 711 F HN 0.809 nan 8.300 nan 0.000 0.475 712 G N 1.007 109.864 108.800 0.096 0.000 2.806 712 G HA2 -0.146 3.811 3.960 -0.006 0.000 0.236 712 G HA3 -0.146 3.811 3.960 -0.006 0.000 0.236 712 G C -0.550 174.298 174.900 -0.086 0.000 1.387 712 G CA -0.345 44.736 45.100 -0.033 0.000 0.884 712 G HN 0.975 nan 8.290 nan 0.000 0.560 713 M N 0.083 119.648 119.600 -0.059 0.000 2.240 713 M HA 0.343 4.820 4.480 -0.006 0.000 0.317 713 M C 1.220 177.471 176.300 -0.083 0.000 1.087 713 M CA 0.645 55.919 55.300 -0.043 0.000 1.176 713 M CB 0.251 32.836 32.600 -0.026 0.000 1.439 713 M HN 0.609 nan 8.290 nan 0.000 0.452 714 R N 0.622 121.091 120.500 -0.051 0.000 2.943 714 R HA 0.543 4.880 4.340 -0.006 0.000 0.246 714 R C 1.119 177.396 176.300 -0.038 0.000 1.201 714 R CA -0.971 55.097 56.100 -0.053 0.000 1.056 714 R CB 0.913 31.190 30.300 -0.038 0.000 1.243 714 R HN 0.646 nan 8.270 nan 0.000 0.498 715 I N 1.084 121.635 120.570 -0.032 0.000 2.280 715 I HA -0.468 3.699 4.170 -0.006 0.000 0.226 715 I C 1.427 177.531 176.117 -0.021 0.000 0.970 715 I CA 1.744 63.029 61.300 -0.025 0.000 1.279 715 I CB -0.508 37.480 38.000 -0.020 0.000 0.984 715 I HN 0.563 nan 8.210 nan 0.000 0.382 716 D N 0.997 121.388 120.400 -0.015 0.000 2.149 716 D HA -0.203 4.434 4.640 -0.006 0.000 0.194 716 D C 1.804 178.102 176.300 -0.003 0.000 1.001 716 D CA 1.667 55.662 54.000 -0.009 0.000 0.849 716 D CB -0.658 40.139 40.800 -0.005 0.000 0.939 716 D HN 0.451 nan 8.370 nan 0.000 0.449 717 D N 0.011 120.410 120.400 -0.002 0.000 2.182 717 D HA -0.097 4.540 4.640 -0.006 0.000 0.201 717 D C 2.205 178.508 176.300 0.004 0.000 0.986 717 D CA 0.504 54.510 54.000 0.010 0.000 0.847 717 D CB -0.080 40.727 40.800 0.011 0.000 0.942 717 D HN 0.161 nan 8.370 nan 0.000 0.467 718 V N 1.355 121.259 119.914 -0.017 0.000 2.548 718 V HA -0.128 3.989 4.120 -0.006 0.000 0.249 718 V C 2.544 178.621 176.094 -0.028 0.000 1.055 718 V CA 1.414 63.693 62.300 -0.035 0.000 1.065 718 V CB -0.592 31.202 31.823 -0.049 0.000 0.681 718 V HN 0.150 nan 8.190 nan 0.000 0.462 719 A N 0.467 123.276 122.820 -0.018 0.000 1.873 719 A HA -0.070 4.247 4.320 -0.006 0.000 0.215 719 A C 2.407 179.992 177.584 0.002 0.000 1.186 719 A CA 1.899 53.927 52.037 -0.014 0.000 0.616 719 A CB -0.837 18.155 19.000 -0.014 0.000 0.823 719 A HN 0.549 nan 8.150 nan 0.000 0.442 720 A N -1.085 121.742 122.820 0.012 0.000 2.070 720 A HA 0.023 4.340 4.320 -0.006 0.000 0.220 720 A C 2.006 179.617 177.584 0.046 0.000 1.159 720 A CA 1.651 53.704 52.037 0.027 0.000 0.656 720 A CB -0.397 18.621 19.000 0.030 0.000 0.800 720 A HN 0.606 nan 8.150 nan 0.000 0.453 721 L N -1.028 120.224 121.223 0.048 0.000 2.375 721 L HA 0.143 4.480 4.340 -0.006 0.000 0.215 721 L C 1.234 178.151 176.870 0.079 0.000 1.108 721 L CA 1.791 56.682 54.840 0.086 0.000 0.830 721 L CB -0.220 41.892 42.059 0.088 0.000 0.959 721 L HN 0.278 nan 8.230 nan 0.000 0.457 722 D N -1.283 119.136 120.400 0.032 0.000 2.305 722 D HA -0.104 4.532 4.640 -0.006 0.000 0.206 722 D C 1.999 178.319 176.300 0.033 0.000 0.974 722 D CA 0.411 54.424 54.000 0.022 0.000 0.871 722 D CB 0.390 41.179 40.800 -0.019 0.000 0.947 722 D HN 0.082 nan 8.370 nan 0.000 0.516 723 K N 1.046 121.465 120.400 0.033 0.000 2.021 723 K HA -0.027 4.290 4.320 -0.006 0.000 0.205 723 K C 1.818 178.445 176.600 0.044 0.000 1.047 723 K CA 1.120 57.425 56.287 0.030 0.000 0.943 723 K CB -0.044 32.471 32.500 0.024 0.000 0.725 723 K HN -0.128 nan 8.250 nan 0.000 0.439 724 K N -0.503 119.931 120.400 0.058 0.000 2.211 724 K HA -0.031 4.285 4.320 -0.006 0.000 0.203 724 K C -0.353 176.297 176.600 0.082 0.000 1.050 724 K CA 1.096 57.423 56.287 0.067 0.000 0.945 724 K CB -0.198 32.349 32.500 0.078 0.000 0.732 724 K HN 0.374 nan 8.250 nan 0.000 0.451 725 G N 0.467 109.328 108.800 0.102 0.000 3.209 725 G HA2 -0.252 3.704 3.960 -0.006 0.000 0.686 725 G HA3 -0.252 3.704 3.960 -0.006 0.000 0.686 725 G C -1.340 173.675 174.900 0.192 0.000 1.065 725 G CA -0.359 44.815 45.100 0.124 0.000 0.812 725 G HN 0.267 nan 8.290 nan 0.000 0.573 726 Y N 1.827 122.164 120.300 0.061 0.000 2.359 726 Y HA 0.589 5.136 4.550 -0.006 0.000 0.334 726 Y C 0.328 176.294 175.900 0.110 0.000 1.058 726 Y CA -0.747 57.403 58.100 0.083 0.000 1.244 726 Y CB 1.679 40.152 38.460 0.022 0.000 1.187 726 Y HN 0.667 nan 8.280 nan 0.000 0.510 727 E N 4.501 124.549 120.200 -0.253 0.000 2.402 727 E HA 0.511 4.857 4.350 -0.006 0.000 0.244 727 E C 0.044 176.448 176.600 -0.327 0.000 0.945 727 E CA 0.084 56.348 56.400 -0.226 0.000 0.774 727 E CB 0.792 30.481 29.700 -0.019 0.000 1.296 727 E HN 0.729 nan 8.360 nan 0.000 0.414 728 A N 4.889 127.364 122.820 -0.575 0.000 1.972 728 A HA -0.200 4.116 4.320 -0.006 0.000 0.219 728 A C 1.776 179.500 177.584 0.234 0.000 1.169 728 A CA 1.737 53.620 52.037 -0.258 0.000 0.635 728 A CB -0.399 18.360 19.000 -0.401 0.000 0.810 728 A HN 0.618 nan 8.150 nan 0.000 0.446 729 K N -0.016 120.525 120.400 0.235 0.000 2.280 729 K HA -0.134 4.183 4.320 -0.006 0.000 0.202 729 K C 1.377 178.170 176.600 0.321 0.000 1.047 729 K CA 1.622 58.157 56.287 0.412 0.000 0.942 729 K CB -0.264 32.416 32.500 0.300 0.000 0.739 729 K HN 0.544 nan 8.250 nan 0.000 0.457 730 E N 0.114 120.423 120.200 0.180 0.000 2.150 730 E HA -0.137 4.209 4.350 -0.006 0.000 0.193 730 E C 1.355 177.946 176.600 -0.016 0.000 0.985 730 E CA 1.111 57.532 56.400 0.035 0.000 0.814 730 E CB -0.108 29.534 29.700 -0.096 0.000 0.752 730 E HN 0.453 nan 8.360 nan 0.000 0.466 731 Y N -1.293 119.059 120.300 0.086 0.000 2.337 731 Y HA -0.152 4.395 4.550 -0.006 0.000 0.293 731 Y C 2.033 177.903 175.900 -0.050 0.000 1.123 731 Y CA 0.834 58.965 58.100 0.052 0.000 1.201 731 Y CB -0.348 38.185 38.460 0.121 0.000 1.011 731 Y HN 0.152 nan 8.280 nan 0.000 0.545 732 Y N 1.219 121.515 120.300 -0.006 0.000 2.242 732 Y HA -0.213 4.333 4.550 -0.006 0.000 0.291 732 Y C 2.302 178.187 175.900 -0.025 0.000 1.137 732 Y CA 1.935 59.961 58.100 -0.123 0.000 1.181 732 Y CB -0.226 38.278 38.460 0.073 0.000 0.989 732 Y HN 0.224 nan 8.280 nan 0.000 0.527 733 E N -0.357 119.821 120.200 -0.036 0.000 2.170 733 E HA -0.010 4.336 4.350 -0.006 0.000 0.191 733 E C 1.826 178.358 176.600 -0.112 0.000 0.981 733 E CA 0.676 57.006 56.400 -0.117 0.000 0.830 733 E CB -0.164 29.549 29.700 0.021 0.000 0.775 733 E HN 0.469 nan 8.360 nan 0.000 0.470 734 A N 0.536 123.315 122.820 -0.069 0.000 2.251 734 A HA 0.222 4.539 4.320 -0.006 0.000 0.209 734 A C 0.445 178.013 177.584 -0.027 0.000 1.187 734 A CA -0.021 51.985 52.037 -0.053 0.000 0.823 734 A CB 0.116 19.077 19.000 -0.066 0.000 0.846 734 A HN 0.172 nan 8.150 nan 0.000 0.486 735 L N -0.367 120.826 121.223 -0.050 0.000 2.442 735 L HA 0.298 4.635 4.340 -0.006 0.000 0.261 735 L C -2.146 174.683 176.870 -0.069 0.000 1.000 735 L CA -1.846 52.993 54.840 -0.002 0.000 0.882 735 L CB 2.094 44.208 42.059 0.092 0.000 1.207 735 L HN -0.014 nan 8.230 nan 0.000 0.443 736 P HA -0.228 nan 4.420 nan 0.000 0.208 736 P C 1.121 178.391 177.300 -0.049 0.000 1.180 736 P CA 1.388 64.446 63.100 -0.069 0.000 0.935 736 P CB 0.332 32.012 31.700 -0.035 0.000 0.785 737 E N -1.367 118.848 120.200 0.026 0.000 2.301 737 E HA -0.228 4.118 4.350 -0.006 0.000 0.202 737 E C 1.792 178.428 176.600 0.059 0.000 1.017 737 E CA 0.627 57.071 56.400 0.072 0.000 0.831 737 E CB -0.529 29.258 29.700 0.145 0.000 0.742 737 E HN 0.079 nan 8.360 nan 0.000 0.491 738 L N 0.990 122.189 121.223 -0.041 0.000 2.127 738 L HA -0.087 4.250 4.340 -0.006 0.000 0.203 738 L C 2.142 178.864 176.870 -0.248 0.000 1.080 738 L CA 1.695 56.319 54.840 -0.359 0.000 0.768 738 L CB -0.234 41.457 42.059 -0.613 0.000 0.924 738 L HN -0.147 nan 8.230 nan 0.000 0.444 739 K N -0.672 119.576 120.400 -0.253 0.000 2.063 739 K HA -0.242 4.075 4.320 -0.006 0.000 0.208 739 K C 2.135 178.724 176.600 -0.019 0.000 1.048 739 K CA 1.990 58.119 56.287 -0.263 0.000 0.928 739 K CB -0.329 31.874 32.500 -0.494 0.000 0.713 739 K HN 0.307 nan 8.250 nan 0.000 0.442 740 L N 0.919 122.113 121.223 -0.049 0.000 2.017 740 L HA -0.147 4.189 4.340 -0.006 0.000 0.208 740 L C 2.033 178.913 176.870 0.017 0.000 1.073 740 L CA 1.453 56.279 54.840 -0.023 0.000 0.745 740 L CB -0.517 41.512 42.059 -0.050 0.000 0.894 740 L HN 0.014 nan 8.230 nan 0.000 0.432 741 V N 0.011 119.941 119.914 0.028 0.000 2.255 741 V HA -0.323 3.794 4.120 -0.006 0.000 0.247 741 V C 2.557 178.727 176.094 0.128 0.000 1.051 741 V CA 1.951 64.303 62.300 0.085 0.000 1.018 741 V CB -0.727 31.122 31.823 0.044 0.000 0.641 741 V HN 0.383 nan 8.190 nan 0.000 0.445 742 I N 0.158 120.799 120.570 0.118 0.000 2.226 742 I HA -0.191 3.975 4.170 -0.006 0.000 0.245 742 I C 2.323 178.588 176.117 0.247 0.000 1.100 742 I CA 1.626 63.055 61.300 0.213 0.000 1.374 742 I CB -1.363 36.811 38.000 0.289 0.000 1.057 742 I HN 0.361 nan 8.210 nan 0.000 0.413 743 D N 0.573 121.115 120.400 0.237 0.000 2.097 743 D HA -0.183 4.454 4.640 -0.006 0.000 0.195 743 D C 2.264 178.653 176.300 0.147 0.000 0.989 743 D CA 1.058 55.170 54.000 0.187 0.000 0.827 743 D CB -0.173 40.713 40.800 0.144 0.000 0.966 743 D HN 0.431 nan 8.370 nan 0.000 0.456 744 Q N 0.026 119.890 119.800 0.108 0.000 2.096 744 Q HA -0.124 4.213 4.340 -0.006 0.000 0.204 744 Q C 2.471 178.623 176.000 0.252 0.000 0.982 744 Q CA 0.892 56.746 55.803 0.085 0.000 0.850 744 Q CB -0.040 28.647 28.738 -0.085 0.000 0.901 744 Q HN 0.367 nan 8.270 nan 0.000 0.422 745 I N 0.589 121.354 120.570 0.324 0.000 2.252 745 I HA -0.242 3.925 4.170 -0.006 0.000 0.245 745 I C 2.224 178.550 176.117 0.349 0.000 1.102 745 I CA 1.038 62.559 61.300 0.368 0.000 1.385 745 I CB -0.250 37.878 38.000 0.213 0.000 1.064 745 I HN 0.235 nan 8.210 nan 0.000 0.414 746 D N 0.783 121.345 120.400 0.270 0.000 2.224 746 D HA -0.134 4.503 4.640 -0.006 0.000 0.205 746 D C 1.617 178.027 176.300 0.183 0.000 0.965 746 D CA 0.942 55.080 54.000 0.230 0.000 0.852 746 D CB 0.023 40.934 40.800 0.185 0.000 0.947 746 D HN 0.280 nan 8.370 nan 0.000 0.494 747 N N -0.297 118.506 118.700 0.171 0.000 2.424 747 N HA 0.027 4.764 4.740 -0.006 0.000 0.178 747 N C 1.401 176.991 175.510 0.133 0.000 1.060 747 N CA 1.113 54.242 53.050 0.131 0.000 0.901 747 N CB 0.890 39.444 38.487 0.112 0.000 0.979 747 N HN 0.351 nan 8.380 nan 0.000 0.451 748 G N 0.113 109.021 108.800 0.179 0.000 2.175 748 G HA2 -0.252 3.704 3.960 -0.006 0.000 0.182 748 G HA3 -0.252 3.704 3.960 -0.006 0.000 0.182 748 G C 0.570 175.533 174.900 0.106 0.000 1.003 748 G CA -0.019 45.172 45.100 0.151 0.000 0.666 748 G HN 0.288 nan 8.290 nan 0.000 0.506 749 F N 0.688 120.596 119.950 -0.069 0.000 2.202 749 F HA 0.203 4.726 4.527 -0.006 0.000 0.301 749 F C 1.632 177.187 175.800 -0.409 0.000 1.082 749 F CA 1.696 59.521 58.000 -0.291 0.000 1.313 749 F CB -0.018 38.686 39.000 -0.494 0.000 1.024 749 F HN 0.148 nan 8.300 nan 0.000 0.495 750 F N -0.317 119.713 119.950 0.133 0.000 2.639 750 F HA 0.240 4.764 4.527 -0.006 0.000 0.302 750 F C 0.484 176.358 175.800 0.122 0.000 1.097 750 F CA 0.107 58.136 58.000 0.048 0.000 1.294 750 F CB -0.203 38.832 39.000 0.059 0.000 1.027 750 F HN -0.012 nan 8.300 nan 0.000 0.550 751 S N -1.436 114.386 115.700 0.204 0.000 2.835 751 S HA 0.178 4.645 4.470 -0.006 0.000 0.140 751 S C -2.230 172.396 174.600 0.043 0.000 1.131 751 S CA -0.777 57.502 58.200 0.132 0.000 1.110 751 S CB 0.507 63.795 63.200 0.147 0.000 1.683 751 S HN -0.095 nan 8.310 nan 0.000 0.473 752 P HA -0.159 nan 4.420 nan 0.000 0.215 752 P C 0.986 178.282 177.300 -0.007 0.000 1.157 752 P CA 1.480 64.566 63.100 -0.022 0.000 0.874 752 P CB 0.041 31.705 31.700 -0.060 0.000 0.790 753 K N -0.528 119.868 120.400 -0.006 0.000 2.280 753 K HA -0.076 4.240 4.320 -0.006 0.000 0.202 753 K C 1.272 177.872 176.600 0.000 0.000 1.047 753 K CA 1.075 57.361 56.287 -0.001 0.000 0.942 753 K CB -0.269 32.233 32.500 0.004 0.000 0.739 753 K HN 0.393 nan 8.250 nan 0.000 0.457 754 Q N -0.828 118.970 119.800 -0.003 0.000 3.244 754 Q HA 0.175 4.512 4.340 -0.006 0.000 0.249 754 Q C -2.317 173.675 176.000 -0.014 0.000 0.951 754 Q CA -1.456 54.337 55.803 -0.017 0.000 0.740 754 Q CB 1.556 30.270 28.738 -0.039 0.000 1.334 754 Q HN -0.066 nan 8.270 nan 0.000 0.448 755 P HA -0.195 nan 4.420 nan 0.000 0.217 755 P C 0.154 177.489 177.300 0.058 0.000 1.151 755 P CA 1.448 64.574 63.100 0.043 0.000 0.849 755 P CB 0.309 32.031 31.700 0.037 0.000 0.787 756 D N -2.130 118.287 120.400 0.027 0.000 2.559 756 D HA 0.079 4.716 4.640 -0.006 0.000 0.234 756 D C 1.328 177.622 176.300 -0.011 0.000 1.226 756 D CA -0.280 53.744 54.000 0.039 0.000 0.830 756 D CB -0.317 40.506 40.800 0.039 0.000 1.028 756 D HN -0.002 nan 8.370 nan 0.000 0.492 757 L N -0.310 120.839 121.223 -0.124 0.000 2.079 757 L HA -0.085 4.251 4.340 -0.006 0.000 0.210 757 L C 0.894 177.503 176.870 -0.435 0.000 1.081 757 L CA 1.811 56.447 54.840 -0.340 0.000 0.752 757 L CB -0.321 41.363 42.059 -0.625 0.000 0.896 757 L HN -0.081 nan 8.230 nan 0.000 0.433 758 F N -0.920 119.089 119.950 0.098 0.000 2.639 758 F HA 0.234 4.758 4.527 -0.006 0.000 0.300 758 F C 1.937 177.804 175.800 0.112 0.000 1.109 758 F CA -0.182 57.871 58.000 0.090 0.000 1.335 758 F CB -0.696 38.349 39.000 0.076 0.000 1.014 758 F HN 0.021 nan 8.300 nan 0.000 0.537 759 K N 0.791 121.310 120.400 0.197 0.000 2.074 759 K HA -0.219 4.098 4.320 -0.006 0.000 0.209 759 K C 1.369 178.088 176.600 0.200 0.000 1.048 759 K CA 2.093 58.488 56.287 0.180 0.000 0.926 759 K CB -0.024 32.547 32.500 0.119 0.000 0.713 759 K HN 0.105 nan 8.250 nan 0.000 0.444 760 D N 0.626 121.146 120.400 0.201 0.000 2.123 760 D HA -0.167 4.469 4.640 -0.006 0.000 0.196 760 D C 1.894 178.322 176.300 0.212 0.000 0.992 760 D CA 1.199 55.329 54.000 0.216 0.000 0.833 760 D CB -0.118 40.844 40.800 0.272 0.000 0.954 760 D HN 0.335 nan 8.370 nan 0.000 0.455 761 I N 0.662 121.359 120.570 0.212 0.000 2.202 761 I HA -0.211 3.956 4.170 -0.006 0.000 0.242 761 I C 2.204 178.428 176.117 0.177 0.000 1.091 761 I CA 0.468 61.870 61.300 0.169 0.000 1.368 761 I CB -0.078 38.015 38.000 0.155 0.000 1.058 761 I HN -0.027 nan 8.210 nan 0.000 0.410 762 I N 0.932 121.648 120.570 0.244 0.000 2.163 762 I HA -0.293 3.874 4.170 -0.006 0.000 0.243 762 I C 2.284 178.637 176.117 0.393 0.000 1.085 762 I CA 1.624 63.126 61.300 0.336 0.000 1.347 762 I CB -1.552 36.655 38.000 0.345 0.000 1.044 762 I HN 0.345 nan 8.210 nan 0.000 0.408 763 N N 0.423 119.314 118.700 0.319 0.000 2.120 763 N HA -0.181 4.556 4.740 -0.006 0.000 0.188 763 N C 1.855 177.568 175.510 0.337 0.000 1.024 763 N CA 1.110 54.378 53.050 0.364 0.000 0.852 763 N CB -0.286 38.358 38.487 0.262 0.000 1.003 763 N HN 0.306 nan 8.380 nan 0.000 0.424 764 M N 0.300 120.046 119.600 0.244 0.000 2.132 764 M HA -0.075 4.401 4.480 -0.006 0.000 0.263 764 M C 1.578 177.931 176.300 0.089 0.000 1.065 764 M CA 1.124 56.556 55.300 0.221 0.000 1.122 764 M CB -0.515 32.208 32.600 0.205 0.000 1.365 764 M HN -0.010 nan 8.290 nan 0.000 0.411 765 L N 0.155 121.359 121.223 -0.032 0.000 2.191 765 L HA -0.114 4.223 4.340 -0.006 0.000 0.212 765 L C 1.814 178.343 176.870 -0.569 0.000 1.103 765 L CA 1.720 56.327 54.840 -0.388 0.000 0.769 765 L CB -0.836 40.946 42.059 -0.461 0.000 0.908 765 L HN 0.224 nan 8.230 nan 0.000 0.438 766 F N -3.035 116.766 119.950 -0.247 0.000 2.505 766 F HA 0.022 4.546 4.527 -0.006 0.000 0.289 766 F C 1.072 176.415 175.800 -0.761 0.000 1.101 766 F CA 0.574 58.260 58.000 -0.523 0.000 1.446 766 F CB 0.119 38.692 39.000 -0.712 0.000 1.123 766 F HN -0.010 nan 8.300 nan 0.000 0.564 767 Y N -3.664 116.767 120.300 0.218 0.000 2.672 767 Y HA 0.261 4.807 4.550 -0.006 0.000 0.252 767 Y C 0.522 176.560 175.900 0.229 0.000 1.132 767 Y CA -0.223 57.983 58.100 0.178 0.000 1.228 767 Y CB 0.091 38.636 38.460 0.142 0.000 1.310 767 Y HN 0.015 nan 8.280 nan 0.000 0.549 768 H N -0.501 118.663 119.070 0.156 0.000 3.234 768 H HA 0.216 4.768 4.556 -0.006 0.000 0.253 768 H C -1.213 174.147 175.328 0.053 0.000 1.171 768 H CA -0.752 55.364 56.048 0.114 0.000 0.990 768 H CB 0.273 30.113 29.762 0.130 0.000 2.344 768 H HN 0.049 nan 8.280 nan 0.000 0.713 769 D N 1.123 121.534 120.400 0.018 0.000 2.393 769 D HA 0.083 4.719 4.640 -0.006 0.000 0.232 769 D C 0.985 177.147 176.300 -0.230 0.000 1.192 769 D CA -0.378 53.571 54.000 -0.086 0.000 0.882 769 D CB 0.540 41.294 40.800 -0.076 0.000 1.038 769 D HN 0.523 nan 8.370 nan 0.000 0.499 770 R N 2.721 122.930 120.500 -0.485 0.000 2.391 770 R HA 0.127 4.464 4.340 -0.006 0.000 0.249 770 R C -0.142 175.602 176.300 -0.926 0.000 0.957 770 R CA -0.007 55.680 56.100 -0.689 0.000 1.093 770 R CB -0.140 29.701 30.300 -0.765 0.000 1.156 770 R HN 0.265 nan 8.270 nan 0.000 0.526 771 F N 1.429 121.260 119.950 -0.200 0.000 2.735 771 F HA 0.317 4.841 4.527 -0.006 0.000 0.308 771 F C -0.028 175.617 175.800 -0.257 0.000 1.112 771 F CA -1.208 56.690 58.000 -0.170 0.000 1.235 771 F CB 0.675 39.639 39.000 -0.060 0.000 1.027 771 F HN -0.146 nan 8.300 nan 0.000 0.528 772 K N -0.082 120.086 120.400 -0.386 0.000 3.490 772 K HA -0.174 4.143 4.320 -0.006 0.000 0.273 772 K C 1.126 177.590 176.600 -0.226 0.000 0.916 772 K CA 0.414 56.358 56.287 -0.571 0.000 0.718 772 K CB -2.226 29.969 32.500 -0.507 0.000 1.477 772 K HN 0.266 nan 8.250 nan 0.000 0.452 773 V N -0.189 119.631 119.914 -0.157 0.000 2.237 773 V HA -0.251 3.865 4.120 -0.006 0.000 0.245 773 V C 2.189 178.359 176.094 0.127 0.000 1.046 773 V CA 2.279 64.551 62.300 -0.047 0.000 1.007 773 V CB -0.495 31.250 31.823 -0.129 0.000 0.638 773 V HN 0.508 nan 8.190 nan 0.000 0.445 774 F N 0.351 120.274 119.950 -0.044 0.000 2.216 774 F HA -0.151 4.373 4.527 -0.006 0.000 0.300 774 F C 2.501 178.147 175.800 -0.256 0.000 1.085 774 F CA 0.588 58.528 58.000 -0.100 0.000 1.326 774 F CB -0.368 38.541 39.000 -0.151 0.000 1.027 774 F HN 0.186 nan 8.300 nan 0.000 0.497 775 A N -0.654 122.031 122.820 -0.226 0.000 2.067 775 A HA -0.171 4.145 4.320 -0.006 0.000 0.219 775 A C 1.591 179.177 177.584 0.003 0.000 1.158 775 A CA 1.703 53.506 52.037 -0.389 0.000 0.661 775 A CB -0.405 18.435 19.000 -0.267 0.000 0.801 775 A HN 0.257 nan 8.150 nan 0.000 0.452 776 D N -2.851 117.612 120.400 0.104 0.000 2.407 776 D HA 0.054 4.690 4.640 -0.006 0.000 0.208 776 D C 1.228 177.720 176.300 0.321 0.000 1.083 776 D CA -0.001 54.133 54.000 0.223 0.000 0.844 776 D CB -0.038 40.883 40.800 0.203 0.000 0.967 776 D HN 0.503 nan 8.370 nan 0.000 0.506 777 Y N 2.583 122.997 120.300 0.190 0.000 2.040 777 Y HA -0.283 4.263 4.550 -0.006 0.000 0.275 777 Y C 2.261 178.277 175.900 0.193 0.000 1.171 777 Y CA 2.191 60.419 58.100 0.214 0.000 1.123 777 Y CB -0.042 38.523 38.460 0.176 0.000 0.963 777 Y HN -0.077 nan 8.280 nan 0.000 0.493 778 E N -0.319 119.962 120.200 0.134 0.000 2.077 778 E HA -0.223 4.124 4.350 -0.006 0.000 0.193 778 E C 2.252 178.846 176.600 -0.010 0.000 0.989 778 E CA 1.100 57.503 56.400 0.005 0.000 0.800 778 E CB -0.374 29.428 29.700 0.169 0.000 0.746 778 E HN 0.579 nan 8.360 nan 0.000 0.452 779 A N 0.121 123.016 122.820 0.124 0.000 1.969 779 A HA -0.182 4.135 4.320 -0.006 0.000 0.218 779 A C 1.964 179.590 177.584 0.070 0.000 1.169 779 A CA 1.257 53.396 52.037 0.170 0.000 0.635 779 A CB -0.695 18.495 19.000 0.316 0.000 0.810 779 A HN 0.527 nan 8.150 nan 0.000 0.445 780 Y N 0.853 121.028 120.300 -0.210 0.000 2.109 780 Y HA -0.157 4.389 4.550 -0.006 0.000 0.285 780 Y C 2.362 177.882 175.900 -0.634 0.000 1.131 780 Y CA 1.843 59.485 58.100 -0.764 0.000 1.121 780 Y CB -0.658 37.474 38.460 -0.547 0.000 0.987 780 Y HN 0.052 nan 8.280 nan 0.000 0.495 781 V N 0.946 120.487 119.914 -0.622 0.000 2.392 781 V HA -0.311 3.806 4.120 -0.006 0.000 0.249 781 V C 2.443 178.288 176.094 -0.416 0.000 1.059 781 V CA 2.290 64.222 62.300 -0.614 0.000 1.051 781 V CB -0.724 30.793 31.823 -0.511 0.000 0.658 781 V HN 0.310 nan 8.190 nan 0.000 0.455 782 K N -0.796 119.430 120.400 -0.290 0.000 2.057 782 K HA -0.211 4.106 4.320 -0.006 0.000 0.206 782 K C 2.340 178.834 176.600 -0.177 0.000 1.050 782 K CA 1.752 57.938 56.287 -0.167 0.000 0.935 782 K CB -0.423 32.032 32.500 -0.075 0.000 0.715 782 K HN 0.565 nan 8.250 nan 0.000 0.439 783 C N 1.233 120.388 119.300 -0.242 0.000 2.432 783 C HA -0.081 4.376 4.460 -0.006 0.000 0.277 783 C C 2.673 177.465 174.990 -0.331 0.000 1.249 783 C CA 0.826 59.726 59.018 -0.196 0.000 1.725 783 C CB -0.670 26.918 27.740 -0.253 0.000 2.028 783 C HN 0.499 nan 8.230 nan 0.000 0.477 784 Q N 0.462 119.911 119.800 -0.586 0.000 2.152 784 Q HA -0.181 4.156 4.340 -0.006 0.000 0.206 784 Q C 1.767 177.548 176.000 -0.366 0.000 0.985 784 Q CA 1.833 57.264 55.803 -0.620 0.000 0.863 784 Q CB -0.603 27.537 28.738 -0.996 0.000 0.904 784 Q HN 0.722 nan 8.270 nan 0.000 0.422 785 D N 0.396 120.636 120.400 -0.266 0.000 2.117 785 D HA -0.129 4.508 4.640 -0.006 0.000 0.197 785 D C 1.822 178.045 176.300 -0.128 0.000 0.987 785 D CA 0.846 54.746 54.000 -0.167 0.000 0.829 785 D CB 0.089 40.819 40.800 -0.117 0.000 0.961 785 D HN 0.145 nan 8.370 nan 0.000 0.460 786 K N 0.855 121.201 120.400 -0.091 0.000 2.063 786 K HA -0.087 4.229 4.320 -0.006 0.000 0.208 786 K C 2.352 178.935 176.600 -0.028 0.000 1.048 786 K CA 0.417 56.719 56.287 0.026 0.000 0.928 786 K CB -0.821 31.781 32.500 0.169 0.000 0.713 786 K HN 0.119 nan 8.250 nan 0.000 0.442 787 V N 1.705 121.412 119.914 -0.345 0.000 2.255 787 V HA -0.247 3.869 4.120 -0.006 0.000 0.247 787 V C 2.407 178.428 176.094 -0.121 0.000 1.051 787 V CA 2.066 64.031 62.300 -0.558 0.000 1.018 787 V CB -0.642 30.743 31.823 -0.729 0.000 0.641 787 V HN 0.265 nan 8.190 nan 0.000 0.445 788 S N -0.848 114.752 115.700 -0.166 0.000 2.383 788 S HA -0.272 4.194 4.470 -0.006 0.000 0.229 788 S C 1.974 176.562 174.600 -0.019 0.000 1.030 788 S CA 1.606 59.727 58.200 -0.131 0.000 1.002 788 S CB -0.336 62.719 63.200 -0.242 0.000 0.829 788 S HN 0.669 nan 8.310 nan 0.000 0.467 789 Q N 0.294 120.091 119.800 -0.005 0.000 2.002 789 Q HA -0.148 4.188 4.340 -0.006 0.000 0.204 789 Q C 2.290 178.356 176.000 0.110 0.000 0.988 789 Q CA 1.385 57.212 55.803 0.039 0.000 0.843 789 Q CB -0.447 28.319 28.738 0.047 0.000 0.908 789 Q HN 0.366 nan 8.270 nan 0.000 0.420 790 L N -0.170 121.179 121.223 0.209 0.000 2.079 790 L HA -0.203 4.133 4.340 -0.006 0.000 0.210 790 L C 2.146 179.231 176.870 0.358 0.000 1.081 790 L CA 1.631 56.667 54.840 0.326 0.000 0.752 790 L CB -0.596 41.772 42.059 0.514 0.000 0.896 790 L HN 0.205 nan 8.230 nan 0.000 0.433 791 Y N -0.483 119.907 120.300 0.149 0.000 2.256 791 Y HA -0.246 4.300 4.550 -0.006 0.000 0.288 791 Y C 2.300 178.092 175.900 -0.180 0.000 1.155 791 Y CA 1.774 59.744 58.100 -0.217 0.000 1.203 791 Y CB -0.250 37.919 38.460 -0.486 0.000 0.980 791 Y HN 0.220 nan 8.280 nan 0.000 0.530 792 M N -0.584 118.986 119.600 -0.049 0.000 2.630 792 M HA -0.144 4.332 4.480 -0.006 0.000 0.254 792 M C 0.362 176.604 176.300 -0.097 0.000 1.092 792 M CA 1.093 56.340 55.300 -0.089 0.000 1.087 792 M CB -0.235 32.349 32.600 -0.027 0.000 1.453 792 M HN 0.213 nan 8.290 nan 0.000 0.509 793 N N 1.133 119.801 118.700 -0.054 0.000 2.976 793 N HA 0.160 4.896 4.740 -0.006 0.000 0.255 793 N C -1.907 173.598 175.510 -0.007 0.000 1.312 793 N CA -1.654 51.388 53.050 -0.013 0.000 0.897 793 N CB 1.031 39.547 38.487 0.048 0.000 1.184 793 N HN -0.098 nan 8.380 nan 0.000 0.497 794 P HA -0.210 nan 4.420 nan 0.000 0.217 794 P C 0.766 178.087 177.300 0.034 0.000 1.151 794 P CA 1.332 64.376 63.100 -0.093 0.000 0.849 794 P CB 0.424 32.022 31.700 -0.171 0.000 0.787 795 K N 0.387 120.801 120.400 0.023 0.000 2.032 795 K HA -0.076 4.240 4.320 -0.006 0.000 0.209 795 K C 2.379 179.023 176.600 0.074 0.000 1.048 795 K CA 1.985 58.297 56.287 0.042 0.000 0.927 795 K CB -1.386 31.132 32.500 0.029 0.000 0.712 795 K HN 0.123 nan 8.250 nan 0.000 0.441 796 A N 0.029 122.903 122.820 0.089 0.000 1.970 796 A HA -0.110 4.207 4.320 -0.006 0.000 0.216 796 A C 1.992 179.657 177.584 0.135 0.000 1.170 796 A CA 0.837 52.931 52.037 0.096 0.000 0.645 796 A CB -0.762 18.291 19.000 0.090 0.000 0.816 796 A HN 0.554 nan 8.150 nan 0.000 0.447 797 W N 1.592 122.893 121.300 0.001 0.000 2.354 797 W HA -0.158 4.499 4.660 -0.006 0.000 0.315 797 W C 1.327 177.859 176.519 0.022 0.000 1.206 797 W CA 1.855 59.216 57.345 0.027 0.000 1.290 797 W CB -0.507 28.932 29.460 -0.036 0.000 1.152 797 W HN 0.369 nan 8.180 nan 0.000 0.489 798 N N 0.014 118.872 118.700 0.263 0.000 2.381 798 N HA -0.119 4.618 4.740 -0.006 0.000 0.182 798 N C 1.584 177.124 175.510 0.051 0.000 1.025 798 N CA 1.924 55.058 53.050 0.140 0.000 0.888 798 N CB -0.493 38.060 38.487 0.110 0.000 0.965 798 N HN 0.126 nan 8.380 nan 0.000 0.438 799 T N 1.047 115.632 114.554 0.051 0.000 2.857 799 T HA 0.008 4.354 4.350 -0.006 0.000 0.266 799 T C 1.912 176.612 174.700 -0.001 0.000 1.048 799 T CA 0.520 62.649 62.100 0.048 0.000 1.139 799 T CB 0.082 68.981 68.868 0.051 0.000 0.874 799 T HN 0.196 nan 8.240 nan 0.000 0.455 800 M N 0.741 120.301 119.600 -0.066 0.000 2.254 800 M HA -0.048 4.429 4.480 -0.006 0.000 0.265 800 M C 2.036 178.250 176.300 -0.143 0.000 1.066 800 M CA 1.139 56.361 55.300 -0.130 0.000 1.123 800 M CB -0.117 32.349 32.600 -0.223 0.000 1.388 800 M HN 0.053 nan 8.290 nan 0.000 0.425 801 V N 0.794 120.607 119.914 -0.167 0.000 2.343 801 V HA -0.266 3.850 4.120 -0.006 0.000 0.247 801 V C 2.327 178.400 176.094 -0.034 0.000 1.051 801 V CA 1.561 63.791 62.300 -0.115 0.000 1.036 801 V CB -0.885 30.895 31.823 -0.071 0.000 0.654 801 V HN 0.541 nan 8.190 nan 0.000 0.451 802 L N 0.435 121.663 121.223 0.008 0.000 2.012 802 L HA -0.182 4.154 4.340 -0.006 0.000 0.210 802 L C 2.366 179.219 176.870 -0.029 0.000 1.073 802 L CA 1.992 56.865 54.840 0.054 0.000 0.748 802 L CB -0.902 41.253 42.059 0.160 0.000 0.891 802 L HN 0.224 nan 8.230 nan 0.000 0.431 803 K N -0.560 119.825 120.400 -0.026 0.000 2.103 803 K HA -0.170 4.146 4.320 -0.006 0.000 0.207 803 K C 2.041 178.637 176.600 -0.008 0.000 1.048 803 K CA 1.520 57.797 56.287 -0.017 0.000 0.930 803 K CB -0.284 32.235 32.500 0.030 0.000 0.716 803 K HN 0.504 nan 8.250 nan 0.000 0.444 804 N N 0.900 119.589 118.700 -0.018 0.000 2.109 804 N HA -0.088 4.648 4.740 -0.006 0.000 0.188 804 N C 1.985 177.510 175.510 0.025 0.000 1.034 804 N CA 1.116 54.168 53.050 0.004 0.000 0.846 804 N CB -0.080 38.391 38.487 -0.026 0.000 1.010 804 N HN 0.103 nan 8.380 nan 0.000 0.425 805 I N 1.583 122.157 120.570 0.006 0.000 2.163 805 I HA -0.252 3.915 4.170 -0.006 0.000 0.243 805 I C 2.357 178.472 176.117 -0.003 0.000 1.085 805 I CA 1.046 62.355 61.300 0.014 0.000 1.347 805 I CB -0.381 37.623 38.000 0.007 0.000 1.044 805 I HN 0.081 nan 8.210 nan 0.000 0.408 806 A N 0.395 123.173 122.820 -0.071 0.000 2.125 806 A HA 0.020 4.337 4.320 -0.006 0.000 0.219 806 A C 2.205 179.782 177.584 -0.012 0.000 1.156 806 A CA 1.671 53.621 52.037 -0.145 0.000 0.671 806 A CB -0.507 18.175 19.000 -0.530 0.000 0.794 806 A HN 0.478 nan 8.150 nan 0.000 0.459 807 A N -1.383 121.468 122.820 0.052 0.000 2.390 807 A HA 0.365 4.682 4.320 -0.006 0.000 0.232 807 A C 1.902 179.573 177.584 0.145 0.000 1.233 807 A CA 0.813 52.918 52.037 0.114 0.000 0.907 807 A CB -0.201 18.881 19.000 0.136 0.000 0.967 807 A HN 0.310 nan 8.150 nan 0.000 0.512 808 S N 0.236 116.029 115.700 0.155 0.000 2.419 808 S HA -0.070 4.397 4.470 -0.006 0.000 0.233 808 S C 2.144 176.853 174.600 0.180 0.000 1.016 808 S CA 1.024 59.377 58.200 0.255 0.000 0.974 808 S CB -0.451 62.857 63.200 0.180 0.000 0.786 808 S HN 0.794 nan 8.310 nan 0.000 0.492 809 G N 2.426 111.273 108.800 0.079 0.000 2.740 809 G HA2 -0.426 3.530 3.960 -0.006 0.000 0.224 809 G HA3 -0.426 3.530 3.960 -0.006 0.000 0.224 809 G C 1.274 176.136 174.900 -0.063 0.000 1.156 809 G CA 1.748 46.865 45.100 0.028 0.000 0.766 809 G HN 0.558 nan 8.290 nan 0.000 0.623 810 K N -0.245 120.007 120.400 -0.247 0.000 2.103 810 K HA -0.076 4.241 4.320 -0.006 0.000 0.207 810 K C 1.567 177.907 176.600 -0.433 0.000 1.048 810 K CA 1.153 57.175 56.287 -0.442 0.000 0.930 810 K CB -0.306 31.735 32.500 -0.766 0.000 0.716 810 K HN 0.334 nan 8.250 nan 0.000 0.444 811 F N 1.436 121.417 119.950 0.053 0.000 2.716 811 F HA 0.123 4.647 4.527 -0.006 0.000 0.301 811 F C 0.769 176.613 175.800 0.073 0.000 1.210 811 F CA -0.114 57.920 58.000 0.058 0.000 1.422 811 F CB -0.321 38.705 39.000 0.043 0.000 1.073 811 F HN -0.113 nan 8.300 nan 0.000 0.525 812 S N -0.092 115.698 115.700 0.150 0.000 2.537 812 S HA 0.188 4.654 4.470 -0.006 0.000 0.275 812 S C 1.401 176.088 174.600 0.146 0.000 1.272 812 S CA -0.227 58.058 58.200 0.141 0.000 1.050 812 S CB 0.834 64.089 63.200 0.093 0.000 0.961 812 S HN 0.331 nan 8.310 nan 0.000 0.496 813 S N 3.307 119.114 115.700 0.178 0.000 2.474 813 S HA -0.088 4.379 4.470 -0.006 0.000 0.235 813 S C 0.990 175.655 174.600 0.108 0.000 0.997 813 S CA 0.771 59.100 58.200 0.215 0.000 0.949 813 S CB -0.314 63.072 63.200 0.310 0.000 0.766 813 S HN 0.789 nan 8.310 nan 0.000 0.517 814 D N 1.821 122.268 120.400 0.078 0.000 2.117 814 D HA -0.077 4.560 4.640 -0.006 0.000 0.198 814 D C 2.110 178.424 176.300 0.024 0.000 0.982 814 D CA 0.807 54.832 54.000 0.042 0.000 0.828 814 D CB -0.312 40.513 40.800 0.042 0.000 0.967 814 D HN 0.413 nan 8.370 nan 0.000 0.464 815 R N 0.748 121.267 120.500 0.031 0.000 2.075 815 R HA -0.096 4.241 4.340 -0.006 0.000 0.232 815 R C 1.872 178.175 176.300 0.006 0.000 1.126 815 R CA 1.358 57.464 56.100 0.009 0.000 0.963 815 R CB -0.366 29.930 30.300 -0.006 0.000 0.858 815 R HN 0.058 nan 8.270 nan 0.000 0.435 816 T N 1.939 116.518 114.554 0.042 0.000 2.746 816 T HA -0.097 4.250 4.350 -0.006 0.000 0.267 816 T C 1.858 176.564 174.700 0.009 0.000 1.039 816 T CA 1.264 63.407 62.100 0.071 0.000 1.142 816 T CB -0.065 68.924 68.868 0.202 0.000 0.866 816 T HN 0.136 nan 8.240 nan 0.000 0.444 817 I N 1.329 121.831 120.570 -0.114 0.000 2.315 817 I HA -0.071 4.095 4.170 -0.006 0.000 0.248 817 I C 2.285 178.375 176.117 -0.044 0.000 1.117 817 I CA 1.224 62.424 61.300 -0.166 0.000 1.404 817 I CB -0.930 36.986 38.000 -0.140 0.000 1.071 817 I HN 0.299 nan 8.210 nan 0.000 0.419 818 K N 0.946 121.333 120.400 -0.022 0.000 2.032 818 K HA -0.195 4.122 4.320 -0.006 0.000 0.209 818 K C 1.889 178.460 176.600 -0.048 0.000 1.048 818 K CA 1.441 57.721 56.287 -0.011 0.000 0.927 818 K CB -0.156 32.339 32.500 -0.008 0.000 0.712 818 K HN 0.479 nan 8.250 nan 0.000 0.441 819 E N -0.234 119.916 120.200 -0.083 0.000 2.106 819 E HA -0.175 4.172 4.350 -0.006 0.000 0.192 819 E C 1.963 178.402 176.600 -0.268 0.000 0.984 819 E CA 1.056 57.365 56.400 -0.152 0.000 0.806 819 E CB -0.168 29.433 29.700 -0.165 0.000 0.750 819 E HN 0.338 nan 8.360 nan 0.000 0.458 820 Y N 1.093 121.136 120.300 -0.429 0.000 2.133 820 Y HA -0.194 4.353 4.550 -0.006 0.000 0.287 820 Y C 2.593 178.063 175.900 -0.717 0.000 1.134 820 Y CA 1.332 58.941 58.100 -0.818 0.000 1.133 820 Y CB -0.430 37.185 38.460 -1.407 0.000 0.987 820 Y HN 0.026 nan 8.280 nan 0.000 0.502 821 A N -0.325 122.398 122.820 -0.162 0.000 1.908 821 A HA -0.315 4.002 4.320 -0.006 0.000 0.218 821 A C 2.147 179.779 177.584 0.078 0.000 1.181 821 A CA 2.189 54.328 52.037 0.170 0.000 0.627 821 A CB -0.791 18.339 19.000 0.216 0.000 0.818 821 A HN 0.601 nan 8.150 nan 0.000 0.445 822 Q N -0.902 118.891 119.800 -0.012 0.000 2.163 822 Q HA -0.059 4.277 4.340 -0.006 0.000 0.198 822 Q C 1.064 177.042 176.000 -0.036 0.000 0.954 822 Q CA 1.491 57.286 55.803 -0.013 0.000 0.851 822 Q CB -0.001 28.722 28.738 -0.025 0.000 0.928 822 Q HN 0.763 nan 8.270 nan 0.000 0.459 823 N N -1.078 117.562 118.700 -0.101 0.000 2.205 823 N HA 0.247 4.983 4.740 -0.006 0.000 0.201 823 N C 0.661 176.111 175.510 -0.100 0.000 1.128 823 N CA 0.184 53.173 53.050 -0.102 0.000 0.867 823 N CB 0.890 39.290 38.487 -0.145 0.000 0.996 823 N HN 0.211 nan 8.380 nan 0.000 0.503 824 I N -1.874 118.624 120.570 -0.121 0.000 4.193 824 I HA 0.109 4.275 4.170 -0.006 0.000 0.287 824 I C 0.677 176.926 176.117 0.220 0.000 1.175 824 I CA -0.009 61.266 61.300 -0.042 0.000 1.320 824 I CB 0.323 38.140 38.000 -0.305 0.000 1.523 824 I HN 0.105 nan 8.210 nan 0.000 0.450 825 W N 1.556 122.933 121.300 0.128 0.000 2.737 825 W HA 0.227 4.884 4.660 -0.005 0.000 0.262 825 W C 0.793 177.332 176.519 0.034 0.000 1.282 825 W CA 0.173 57.573 57.345 0.092 0.000 1.386 825 W CB -1.077 28.431 29.460 0.080 0.000 1.099 825 W HN 0.299 nan 8.180 nan 0.000 0.621 826 N N 0.658 119.491 118.700 0.222 0.000 2.727 826 N HA -0.189 4.547 4.740 -0.006 0.000 0.251 826 N C -0.880 174.695 175.510 0.107 0.000 1.040 826 N CA 0.450 53.571 53.050 0.118 0.000 0.712 826 N CB -0.881 37.650 38.487 0.073 0.000 0.912 826 N HN -0.063 nan 8.380 nan 0.000 0.545 827 V N -1.694 118.304 119.914 0.140 0.000 2.962 827 V HA 0.762 4.878 4.120 -0.006 0.000 0.313 827 V C -0.264 175.880 176.094 0.084 0.000 1.099 827 V CA -0.906 61.450 62.300 0.094 0.000 0.971 827 V CB 2.022 33.904 31.823 0.097 0.000 1.028 827 V HN 0.229 nan 8.190 nan 0.000 0.430 828 E N 3.870 124.101 120.200 0.051 0.000 2.151 828 E HA 0.548 4.895 4.350 -0.006 0.000 0.275 828 E C -2.635 173.995 176.600 0.051 0.000 0.936 828 E CA -2.563 53.867 56.400 0.049 0.000 0.777 828 E CB 1.745 31.466 29.700 0.037 0.000 1.108 828 E HN 0.696 nan 8.360 nan 0.000 0.401 829 P HA -0.028 nan 4.420 nan 0.000 0.257 829 P C -0.327 177.005 177.300 0.053 0.000 1.227 829 P CA 0.404 63.537 63.100 0.055 0.000 0.981 829 P CB 0.124 31.853 31.700 0.049 0.000 1.044 830 S N 0.000 115.738 115.700 0.063 0.000 2.498 830 S HA 0.000 4.467 4.470 -0.006 0.000 0.327 830 S CA 0.000 58.247 58.200 0.078 0.000 1.107 830 S CB 0.000 63.239 63.200 0.066 0.000 0.593 830 S HN 0.000 nan 8.310 nan 0.000 0.517