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 3opy_1_E DATA FIRST_RESID 5 DATA SEQUENCE SISDLSFTSF VTNDDNLFEE TFNFYTKLGF HATRSYVKXN RSDFELTGIS DATA SEQUENCE XDSIKEIWLE SFPLSEVVEA XXGRELRKPL QESVGYESEA LLGYXPYQXG DATA SEQUENCE GVVIKLRLSN XXXEKNNDLP GEVTFFTASI DKLKAKLIEI GAEIIPSKXX DATA SEQUENCE LVEFSTRDPM GDVISFSSYP SLXSKKITSP DFXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXEGKKKIA IITSGGDAPG MNAAVRAVTR AGIFYGCKVY ACYEGYTGLV DATA SEQUENCE KGGDMLKELQ WQDVRGLLSI GGTIIGTARC KEFRERWGRL QACYNMVSNG DATA SEQUENCE IDALVVCGGD GSLTGADLFR KEWPELIKEX XXXXXXXKEQ YETHRNLTIV DATA SEQUENCE GLVGSIDNDM CGTDSTIGAY SSLERIIELV DYIDATAASH SRAFVVEVMG DATA SEQUENCE RHCGWLGLMS GIATGADYIF IPERPPSESN WKDDLKKVCL RHREKGRRKT DATA SEQUENCE TVIVAEGAID DQLNPITSEE VKDVLVEIGL DTRITRLGHV QRGGAPCAFD DATA SEQUENCE RFLATVQGVD AVRAVLESTP AIPSPVISIL ENKIVRQPLV ESVAQTKTVS DATA SEQUENCE AAIEAKDFDK ALQLRDQEFA TSYENFLSVS KYDDGSYLVP ESSRLNIAII DATA SEQUENCE HVGAPTSALN PATRVATLNS LAKGHRVFAI RNGFAGLIRH GAVRELNWID DATA SEQUENCE VEDWHNTGGS EIGTNRSLPS DDMGTVAYYF QQYKFDGLII IGGFEAFTAL DATA SEQUENCE YELDAARAQY PIFNIPMCCL PATVSNNVPG TEYSLGSDTC LNTLSGYCDA DATA SEQUENCE VKQSASXSRR RTFVVEVQGG YSGYLASYAG LITGALAVYT PENPINLQTV DATA SEQUENCE QEDIELLTRT YEEDDXXXRS GKIFIHNEKA SKVYTTDLIA AIIGEAGKGR DATA SEQUENCE FESRTAVPGH VQQGKSPSSI DRVNACRLAI KCCNFIEDAN FQVKHNANLS DATA SEQUENCE ADERHLRFFY DDGVKTSAVS GKSSVIDDNT SVVIGIQGSE VTFTPVKQLW DATA SEQUENCE ENETHHKWXX XXNVHWEQLN IVSDLLSGRL SIRTT 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.592 174.600 -0.014 0.000 1.055 5 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 5 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 6 I N 1.015 121.574 120.570 -0.018 0.000 2.396 6 I HA 0.937 5.106 4.170 -0.001 0.000 0.289 6 I C 1.576 177.684 176.117 -0.015 0.000 1.056 6 I CA -0.040 61.249 61.300 -0.019 0.000 1.365 6 I CB -0.294 37.691 38.000 -0.026 0.000 1.407 6 I HN 0.845 nan 8.210 nan 0.000 0.509 7 S N 2.904 118.599 115.700 -0.008 0.000 2.343 7 S HA 0.022 4.492 4.470 -0.001 0.000 0.219 7 S C 1.163 175.764 174.600 0.002 0.000 1.033 7 S CA 2.112 60.313 58.200 0.001 0.000 1.014 7 S CB -0.049 63.159 63.200 0.013 0.000 0.915 7 S HN 0.916 nan 8.310 nan 0.000 0.435 8 D N -2.941 117.459 120.400 0.000 0.000 3.557 8 D HA 0.562 5.202 4.640 -0.001 0.000 0.331 8 D C -1.418 174.872 176.300 -0.016 0.000 1.442 8 D CA 0.320 54.321 54.000 0.000 0.000 0.971 8 D CB 0.597 41.410 40.800 0.022 0.000 1.423 8 D HN 0.443 nan 8.370 nan 0.000 0.604 9 L N 0.559 121.774 121.223 -0.013 0.000 2.307 9 L HA 0.622 4.962 4.340 -0.001 0.000 0.284 9 L C 1.300 178.149 176.870 -0.034 0.000 1.023 9 L CA -0.207 54.607 54.840 -0.044 0.000 0.810 9 L CB 1.056 43.096 42.059 -0.032 0.000 1.231 9 L HN 0.422 nan 8.230 nan 0.000 0.423 10 S N 1.560 117.210 115.700 -0.082 0.000 2.336 10 S HA 0.401 4.871 4.470 -0.001 0.000 0.216 10 S C 0.390 175.041 174.600 0.084 0.000 1.032 10 S CA 1.780 59.979 58.200 -0.002 0.000 0.973 10 S CB -0.123 63.088 63.200 0.019 0.000 0.888 10 S HN 1.554 nan 8.310 nan 0.000 0.455 11 F N -0.828 119.046 119.950 -0.127 0.000 2.807 11 F HA 0.566 5.092 4.527 -0.001 0.000 0.316 11 F C -0.844 174.850 175.800 -0.177 0.000 1.162 11 F CA -0.902 56.991 58.000 -0.178 0.000 0.910 11 F CB 1.080 39.910 39.000 -0.284 0.000 1.314 11 F HN -0.056 nan 8.300 nan 0.000 0.454 12 T N -0.556 113.978 114.554 -0.033 0.000 2.823 12 T HA 0.654 5.003 4.350 -0.001 0.000 0.279 12 T C -0.882 173.678 174.700 -0.233 0.000 0.998 12 T CA -0.518 61.457 62.100 -0.209 0.000 0.994 12 T CB 1.473 70.212 68.868 -0.214 0.000 0.960 12 T HN 0.984 nan 8.240 nan 0.000 0.448 13 S N 2.298 117.884 115.700 -0.190 0.000 2.454 13 S HA 0.713 5.182 4.470 -0.001 0.000 0.306 13 S C -1.546 173.036 174.600 -0.031 0.000 1.100 13 S CA -0.785 57.377 58.200 -0.063 0.000 1.087 13 S CB 0.008 63.302 63.200 0.156 0.000 1.019 13 S HN 0.536 nan 8.310 nan 0.000 0.480 14 F N 4.106 124.128 119.950 0.121 0.000 2.445 14 F HA 0.459 4.986 4.527 -0.001 0.000 0.348 14 F C -0.153 175.737 175.800 0.150 0.000 1.125 14 F CA -1.207 56.865 58.000 0.120 0.000 0.983 14 F CB 1.454 40.524 39.000 0.116 0.000 1.198 14 F HN 0.225 nan 8.300 nan 0.000 0.436 15 V N 2.755 122.853 119.914 0.307 0.000 2.427 15 V HA 0.903 5.022 4.120 -0.001 0.000 0.286 15 V C 0.348 176.553 176.094 0.186 0.000 1.034 15 V CA -0.350 62.084 62.300 0.224 0.000 0.893 15 V CB 0.928 32.847 31.823 0.160 0.000 0.982 15 V HN 0.956 nan 8.190 nan 0.000 0.452 16 T N 0.938 115.601 114.554 0.182 0.000 2.906 16 T HA 0.443 4.793 4.350 -0.001 0.000 0.295 16 T C 0.646 175.397 174.700 0.085 0.000 1.061 16 T CA -0.681 61.503 62.100 0.141 0.000 1.000 16 T CB 1.421 70.406 68.868 0.194 0.000 1.103 16 T HN 0.489 nan 8.240 nan 0.000 0.486 17 N N 0.257 118.993 118.700 0.059 0.000 2.439 17 N HA -0.015 4.724 4.740 -0.001 0.000 0.176 17 N C -0.440 175.085 175.510 0.025 0.000 1.029 17 N CA 0.247 53.314 53.050 0.029 0.000 0.886 17 N CB 0.410 38.912 38.487 0.025 0.000 1.057 17 N HN 0.680 nan 8.380 nan 0.000 0.437 18 D N 0.973 121.402 120.400 0.049 0.000 2.317 18 D HA 0.010 4.649 4.640 -0.001 0.000 0.252 18 D C 0.466 176.822 176.300 0.093 0.000 1.174 18 D CA -0.059 53.974 54.000 0.055 0.000 0.866 18 D CB 1.306 42.139 40.800 0.054 0.000 1.127 18 D HN 0.136 nan 8.370 nan 0.000 0.467 19 D N 2.869 123.310 120.400 0.068 0.000 2.144 19 D HA -0.158 4.481 4.640 -0.001 0.000 0.200 19 D C 1.170 177.582 176.300 0.186 0.000 0.978 19 D CA 0.956 55.021 54.000 0.108 0.000 0.833 19 D CB 0.269 41.090 40.800 0.036 0.000 0.961 19 D HN 0.294 nan 8.370 nan 0.000 0.470 20 N N 0.179 118.949 118.700 0.117 0.000 2.166 20 N HA -0.133 4.607 4.740 -0.001 0.000 0.186 20 N C 1.968 177.545 175.510 0.111 0.000 1.019 20 N CA 0.619 53.730 53.050 0.102 0.000 0.856 20 N CB -0.291 38.233 38.487 0.062 0.000 0.993 20 N HN 0.339 nan 8.380 nan 0.000 0.426 21 L N -0.266 121.025 121.223 0.113 0.000 2.093 21 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 21 L C 2.248 179.209 176.870 0.153 0.000 1.085 21 L CA 0.732 55.630 54.840 0.097 0.000 0.755 21 L CB -0.337 41.769 42.059 0.078 0.000 0.904 21 L HN 0.036 nan 8.230 nan 0.000 0.435 22 F N 1.170 121.162 119.950 0.069 0.000 2.075 22 F HA -0.280 4.247 4.527 -0.001 0.000 0.297 22 F C 2.452 178.340 175.800 0.148 0.000 1.113 22 F CA 2.007 60.069 58.000 0.104 0.000 1.218 22 F CB -0.043 39.003 39.000 0.078 0.000 0.984 22 F HN -0.030 nan 8.300 nan 0.000 0.472 23 E N 0.392 120.689 120.200 0.161 0.000 2.110 23 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 23 E C 2.064 178.750 176.600 0.143 0.000 0.988 23 E CA 1.618 58.083 56.400 0.109 0.000 0.804 23 E CB -0.208 29.601 29.700 0.182 0.000 0.745 23 E HN 0.579 nan 8.360 nan 0.000 0.458 24 E N -1.039 119.223 120.200 0.102 0.000 2.204 24 E HA -0.110 4.239 4.350 -0.001 0.000 0.194 24 E C 1.728 178.360 176.600 0.054 0.000 0.989 24 E CA 1.388 57.830 56.400 0.070 0.000 0.824 24 E CB 0.104 29.825 29.700 0.036 0.000 0.756 24 E HN 0.219 nan 8.360 nan 0.000 0.477 25 T N 0.677 115.258 114.554 0.045 0.000 2.812 25 T HA -0.116 4.234 4.350 -0.001 0.000 0.264 25 T C 1.461 176.280 174.700 0.199 0.000 1.042 25 T CA 0.751 62.890 62.100 0.065 0.000 1.140 25 T CB -0.303 68.618 68.868 0.090 0.000 0.870 25 T HN 0.199 nan 8.240 nan 0.000 0.445 26 F N 2.867 122.790 119.950 -0.045 0.000 2.069 26 F HA -0.143 4.384 4.527 -0.001 0.000 0.298 26 F C 1.814 177.640 175.800 0.043 0.000 1.113 26 F CA 1.476 59.448 58.000 -0.046 0.000 1.214 26 F CB -0.816 38.046 39.000 -0.229 0.000 0.978 26 F HN 0.118 nan 8.300 nan 0.000 0.474 27 N N -0.687 117.937 118.700 -0.127 0.000 2.289 27 N HA -0.198 4.542 4.740 -0.001 0.000 0.184 27 N C 1.796 177.234 175.510 -0.119 0.000 1.016 27 N CA 1.224 54.150 53.050 -0.206 0.000 0.872 27 N CB -0.452 38.023 38.487 -0.019 0.000 0.973 27 N HN 0.412 nan 8.380 nan 0.000 0.433 28 F N 0.688 120.515 119.950 -0.205 0.000 2.075 28 F HA -0.186 4.340 4.527 -0.001 0.000 0.297 28 F C 1.515 177.140 175.800 -0.293 0.000 1.113 28 F CA 1.385 59.221 58.000 -0.273 0.000 1.218 28 F CB -0.341 38.428 39.000 -0.386 0.000 0.984 28 F HN 0.005 nan 8.300 nan 0.000 0.472 29 Y N 0.395 120.632 120.300 -0.105 0.000 2.373 29 Y HA -0.094 4.456 4.550 -0.001 0.000 0.293 29 Y C 2.611 178.440 175.900 -0.117 0.000 1.129 29 Y CA 1.447 59.426 58.100 -0.202 0.000 1.226 29 Y CB -1.314 36.923 38.460 -0.371 0.000 1.000 29 Y HN 0.031 nan 8.280 nan 0.000 0.549 30 T N -0.038 114.435 114.554 -0.135 0.000 2.746 30 T HA -0.191 4.159 4.350 -0.001 0.000 0.267 30 T C 1.755 176.349 174.700 -0.178 0.000 1.039 30 T CA 1.640 63.595 62.100 -0.240 0.000 1.142 30 T CB -0.174 68.387 68.868 -0.512 0.000 0.866 30 T HN 0.288 nan 8.240 nan 0.000 0.444 31 K N 0.604 120.894 120.400 -0.184 0.000 2.211 31 K HA 0.131 4.451 4.320 -0.001 0.000 0.203 31 K C 1.639 178.150 176.600 -0.148 0.000 1.050 31 K CA 0.697 56.887 56.287 -0.161 0.000 0.945 31 K CB -0.108 32.291 32.500 -0.168 0.000 0.732 31 K HN 0.299 nan 8.250 nan 0.000 0.451 32 L N -0.368 120.770 121.223 -0.142 0.000 2.611 32 L HA 0.145 4.485 4.340 -0.001 0.000 0.229 32 L C 0.844 177.724 176.870 0.017 0.000 1.137 32 L CA 0.153 54.953 54.840 -0.068 0.000 0.901 32 L CB 0.312 42.309 42.059 -0.103 0.000 1.098 32 L HN 0.426 nan 8.230 nan 0.000 0.456 33 G N -0.851 107.931 108.800 -0.030 0.000 2.163 33 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.213 33 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.213 33 G C 0.033 174.826 174.900 -0.179 0.000 0.991 33 G CA -0.668 44.370 45.100 -0.102 0.000 0.653 33 G HN 0.134 nan 8.290 nan 0.000 0.518 34 F N 1.752 121.617 119.950 -0.141 0.000 2.375 34 F HA 0.627 5.154 4.527 -0.001 0.000 0.333 34 F C 1.068 176.730 175.800 -0.230 0.000 1.104 34 F CA -0.224 57.723 58.000 -0.090 0.000 1.149 34 F CB 0.940 39.911 39.000 -0.048 0.000 1.190 34 F HN 0.054 nan 8.300 nan 0.000 0.533 35 H N 1.362 120.569 119.070 0.229 0.000 2.609 35 H HA 0.467 5.022 4.556 -0.001 0.000 0.344 35 H C -0.701 174.779 175.328 0.253 0.000 1.040 35 H CA -1.000 55.189 56.048 0.235 0.000 1.216 35 H CB 1.743 31.710 29.762 0.342 0.000 1.529 35 H HN 0.695 nan 8.280 nan 0.000 0.519 36 A N 2.796 125.830 122.820 0.357 0.000 2.395 36 A HA 0.182 4.501 4.320 -0.001 0.000 0.286 36 A C 1.012 178.766 177.584 0.283 0.000 1.193 36 A CA -0.219 52.021 52.037 0.339 0.000 0.852 36 A CB -0.063 19.173 19.000 0.394 0.000 1.118 36 A HN 0.792 nan 8.150 nan 0.000 0.524 37 T N 1.728 116.437 114.554 0.259 0.000 3.031 37 T HA 0.137 4.487 4.350 -0.001 0.000 0.254 37 T C 0.963 175.754 174.700 0.151 0.000 1.060 37 T CA 0.762 62.998 62.100 0.226 0.000 1.135 37 T CB 0.046 69.052 68.868 0.230 0.000 0.896 37 T HN 0.655 nan 8.240 nan 0.000 0.472 38 R N 1.431 122.006 120.500 0.125 0.000 2.621 38 R HA 0.502 4.841 4.340 -0.001 0.000 0.284 38 R C -1.508 174.718 176.300 -0.122 0.000 0.998 38 R CA -0.382 55.683 56.100 -0.058 0.000 0.895 38 R CB 1.693 31.843 30.300 -0.250 0.000 1.195 38 R HN 0.279 nan 8.270 nan 0.000 0.450 39 S N 2.463 118.082 115.700 -0.135 0.000 2.548 39 S HA 0.554 5.023 4.470 -0.001 0.000 0.286 39 S C -1.473 173.083 174.600 -0.074 0.000 1.098 39 S CA -0.711 57.433 58.200 -0.094 0.000 0.930 39 S CB 1.803 64.974 63.200 -0.048 0.000 1.070 39 S HN 0.588 nan 8.310 nan 0.000 0.480 40 Y N 1.120 121.316 120.300 -0.174 0.000 2.524 40 Y HA 0.789 5.338 4.550 -0.001 0.000 0.347 40 Y C -1.309 174.529 175.900 -0.104 0.000 1.005 40 Y CA -0.871 57.137 58.100 -0.154 0.000 1.025 40 Y CB 1.784 40.130 38.460 -0.191 0.000 1.275 40 Y HN 0.898 nan 8.280 nan 0.000 0.460 41 V N 3.539 122.753 119.914 -1.167 0.000 3.178 41 V HA 0.676 4.796 4.120 -0.001 0.000 0.302 41 V C -0.362 175.140 176.094 -0.986 0.000 1.262 41 V CA -0.267 61.534 62.300 -0.833 0.000 1.030 41 V CB 1.527 33.118 31.823 -0.386 0.000 1.074 41 V HN 1.156 nan 8.190 nan 0.000 0.438 45 R N 0.526 121.024 120.500 -0.004 0.000 2.300 45 R HA 0.318 4.658 4.340 -0.001 0.000 0.199 45 R C 2.038 178.346 176.300 0.013 0.000 0.920 45 R CA 1.313 57.418 56.100 0.009 0.000 1.046 45 R CB -1.177 29.126 30.300 0.006 0.000 0.984 45 R HN 0.670 nan 8.270 nan 0.000 0.493 46 S N 1.074 116.776 115.700 0.004 0.000 2.402 46 S HA -0.045 4.425 4.470 -0.001 0.000 0.229 46 S C 1.048 175.656 174.600 0.013 0.000 1.021 46 S CA 0.575 58.778 58.200 0.004 0.000 0.974 46 S CB -0.134 63.063 63.200 -0.005 0.000 0.800 46 S HN 0.603 nan 8.310 nan 0.000 0.484 47 D N 0.469 120.887 120.400 0.030 0.000 2.533 47 D HA 0.282 4.922 4.640 -0.001 0.000 0.236 47 D C -0.185 176.152 176.300 0.062 0.000 1.137 47 D CA 0.678 54.720 54.000 0.071 0.000 0.867 47 D CB 0.184 41.084 40.800 0.166 0.000 1.170 47 D HN 0.291 nan 8.370 nan 0.000 0.474 48 F N 0.262 120.224 119.950 0.020 0.000 2.396 48 F HA 0.522 5.049 4.527 -0.001 0.000 0.343 48 F C 0.875 176.625 175.800 -0.083 0.000 1.104 48 F CA -0.860 57.124 58.000 -0.026 0.000 1.161 48 F CB 0.307 39.283 39.000 -0.041 0.000 1.146 48 F HN 0.482 nan 8.300 nan 0.000 0.522 49 E N 1.013 121.154 120.200 -0.098 0.000 2.145 49 E HA 0.730 5.080 4.350 -0.001 0.000 0.270 49 E C 0.026 176.565 176.600 -0.102 0.000 0.906 49 E CA 0.126 56.422 56.400 -0.175 0.000 0.761 49 E CB 0.877 30.478 29.700 -0.166 0.000 1.116 49 E HN 2.389 nan 8.360 nan 0.000 0.408 50 L N 0.085 121.253 121.223 -0.091 0.000 2.806 50 L HA 0.881 5.221 4.340 -0.001 0.000 0.242 50 L C 1.603 178.526 176.870 0.089 0.000 1.068 50 L CA 1.536 56.394 54.840 0.029 0.000 0.923 50 L CB -0.694 41.427 42.059 0.103 0.000 1.364 50 L HN 1.208 nan 8.230 nan 0.000 0.511 51 T N -1.890 112.719 114.554 0.092 0.000 2.916 51 T HA 0.659 5.008 4.350 -0.001 0.000 0.298 51 T C 0.473 175.165 174.700 -0.014 0.000 1.031 51 T CA 0.021 62.208 62.100 0.146 0.000 0.993 51 T CB 1.468 70.575 68.868 0.398 0.000 1.045 51 T HN 1.397 nan 8.240 nan 0.000 0.454 52 G N -0.303 108.486 108.800 -0.018 0.000 4.657 52 G HA2 0.617 4.576 3.960 -0.001 0.000 0.213 52 G HA3 0.617 4.576 3.960 -0.001 0.000 0.213 52 G C -0.058 174.839 174.900 -0.005 0.000 0.912 52 G CA 0.732 45.788 45.100 -0.075 0.000 0.815 52 G HN 2.033 nan 8.290 nan 0.000 0.384 53 I N 0.326 120.916 120.570 0.032 0.000 2.752 53 I HA 0.836 5.005 4.170 -0.001 0.000 0.290 53 I C -0.250 175.900 176.117 0.056 0.000 1.507 53 I CA -0.470 60.854 61.300 0.040 0.000 1.038 53 I CB 1.212 39.226 38.000 0.024 0.000 1.390 53 I HN 0.889 nan 8.210 nan 0.000 0.435 57 S N -0.684 115.048 115.700 0.053 0.000 2.502 57 S HA 0.682 5.152 4.470 -0.001 0.000 0.304 57 S C 1.024 175.689 174.600 0.109 0.000 1.097 57 S CA 0.045 58.283 58.200 0.064 0.000 1.045 57 S CB 0.392 63.641 63.200 0.082 0.000 1.019 57 S HN 1.488 nan 8.310 nan 0.000 0.481 58 I N -0.997 119.585 120.570 0.019 0.000 2.480 58 I HA 0.396 4.566 4.170 -0.001 0.000 0.251 58 I C 0.777 176.842 176.117 -0.087 0.000 1.124 58 I CA 0.578 61.863 61.300 -0.026 0.000 1.444 58 I CB -0.366 37.586 38.000 -0.081 0.000 1.098 58 I HN 0.546 nan 8.210 nan 0.000 0.428 59 K N 1.352 121.671 120.400 -0.135 0.000 2.477 59 K HA 0.779 5.098 4.320 -0.001 0.000 0.255 59 K C -0.980 175.596 176.600 -0.039 0.000 0.952 59 K CA -0.659 55.527 56.287 -0.168 0.000 0.826 59 K CB 1.472 33.747 32.500 -0.374 0.000 1.331 59 K HN 0.374 nan 8.250 nan 0.000 0.437 60 E N 0.941 121.234 120.200 0.155 0.000 2.307 60 E HA 0.416 4.765 4.350 -0.001 0.000 0.280 60 E C -1.422 175.327 176.600 0.248 0.000 0.900 60 E CA -0.558 56.009 56.400 0.279 0.000 0.790 60 E CB 1.816 31.655 29.700 0.232 0.000 1.261 60 E HN 0.559 nan 8.360 nan 0.000 0.405 61 I N 2.618 123.416 120.570 0.380 0.000 2.418 61 I HA 0.332 4.501 4.170 -0.001 0.000 0.287 61 I C -0.988 175.382 176.117 0.422 0.000 1.008 61 I CA -0.721 60.730 61.300 0.252 0.000 1.104 61 I CB 1.036 39.089 38.000 0.089 0.000 1.264 61 I HN 0.343 nan 8.210 nan 0.000 0.438 62 W N 7.791 129.115 121.300 0.041 0.000 2.283 62 W HA 0.495 5.155 4.660 -0.001 0.000 0.317 62 W C -0.567 175.968 176.519 0.027 0.000 1.042 62 W CA -0.955 56.376 57.345 -0.024 0.000 1.348 62 W CB 0.372 29.784 29.460 -0.081 0.000 1.216 62 W HN 0.190 nan 8.180 nan 0.000 0.404 63 L N 3.006 124.350 121.223 0.201 0.000 2.325 63 L HA 0.511 4.851 4.340 -0.001 0.000 0.279 63 L C 0.148 177.152 176.870 0.223 0.000 1.054 63 L CA -0.790 54.188 54.840 0.230 0.000 0.804 63 L CB 1.465 43.614 42.059 0.151 0.000 1.200 63 L HN 0.256 nan 8.230 nan 0.000 0.436 64 E N 1.358 121.663 120.200 0.175 0.000 2.246 64 E HA 0.276 4.626 4.350 -0.001 0.000 0.266 64 E C -1.358 175.001 176.600 -0.401 0.000 0.880 64 E CA -0.354 55.922 56.400 -0.207 0.000 0.762 64 E CB 2.076 31.387 29.700 -0.648 0.000 1.180 64 E HN 0.352 nan 8.360 nan 0.000 0.416 65 S N 5.276 120.563 115.700 -0.690 0.000 2.466 65 S HA 0.356 4.826 4.470 -0.001 0.000 0.313 65 S C -0.736 173.625 174.600 -0.399 0.000 1.078 65 S CA -0.606 57.153 58.200 -0.735 0.000 1.115 65 S CB -0.468 61.956 63.200 -1.294 0.000 1.006 65 S HN 0.453 nan 8.310 nan 0.000 0.487 66 F N 4.499 124.346 119.950 -0.172 0.000 2.629 66 F HA 0.166 4.693 4.527 -0.001 0.000 0.369 66 F C -1.252 174.485 175.800 -0.105 0.000 1.125 66 F CA -1.030 56.894 58.000 -0.126 0.000 1.330 66 F CB -0.279 38.634 39.000 -0.144 0.000 1.071 66 F HN 0.396 nan 8.300 nan 0.000 0.595 67 P HA 0.113 nan 4.420 nan 0.000 0.271 67 P C -0.783 176.544 177.300 0.045 0.000 1.233 67 P CA -0.298 62.832 63.100 0.050 0.000 0.789 67 P CB 0.471 32.199 31.700 0.046 0.000 0.951 68 L N 1.073 122.314 121.223 0.030 0.000 2.276 68 L HA 0.340 4.679 4.340 -0.001 0.000 0.286 68 L C 0.512 177.383 176.870 0.001 0.000 1.061 68 L CA -0.155 54.694 54.840 0.014 0.000 0.807 68 L CB 0.760 42.829 42.059 0.017 0.000 1.177 68 L HN 0.446 nan 8.230 nan 0.000 0.429 69 S N 0.605 116.298 115.700 -0.012 0.000 2.726 69 S HA 0.378 4.848 4.470 -0.001 0.000 0.308 69 S C -0.438 174.149 174.600 -0.021 0.000 1.115 69 S CA -1.077 57.110 58.200 -0.021 0.000 0.965 69 S CB 1.576 64.756 63.200 -0.034 0.000 1.145 69 S HN 0.631 nan 8.310 nan 0.000 0.532 70 E N 0.542 120.730 120.200 -0.021 0.000 1.775 70 E HA 0.335 4.685 4.350 -0.001 0.000 0.266 70 E C -0.595 175.992 176.600 -0.022 0.000 1.191 70 E CA -0.641 55.749 56.400 -0.016 0.000 1.048 70 E CB -0.366 29.329 29.700 -0.008 0.000 1.081 70 E HN 0.291 nan 8.360 nan 0.000 0.434 71 V N 3.842 123.742 119.914 -0.023 0.000 2.790 71 V HA -0.127 3.993 4.120 -0.001 0.000 0.304 71 V C 0.373 176.453 176.094 -0.024 0.000 1.142 71 V CA 0.380 62.664 62.300 -0.027 0.000 1.282 71 V CB 0.620 32.427 31.823 -0.026 0.000 0.877 71 V HN 0.572 nan 8.190 nan 0.000 0.504 72 V N 6.371 126.268 119.914 -0.028 0.000 2.432 72 V HA 0.171 4.290 4.120 -0.001 0.000 0.275 72 V C 0.926 177.007 176.094 -0.021 0.000 1.043 72 V CA -0.301 61.985 62.300 -0.024 0.000 0.925 72 V CB 1.336 33.142 31.823 -0.029 0.000 0.985 72 V HN 1.018 nan 8.190 nan 0.000 0.466 73 E N 3.344 123.534 120.200 -0.017 0.000 2.013 73 E HA -0.104 4.245 4.350 -0.001 0.000 0.202 73 E C 1.240 177.831 176.600 -0.015 0.000 1.018 73 E CA 1.759 58.150 56.400 -0.014 0.000 0.834 73 E CB -0.246 29.448 29.700 -0.011 0.000 0.770 73 E HN 0.886 nan 8.360 nan 0.000 0.459 78 R N 0.330 120.824 120.500 -0.010 0.000 2.240 78 R HA 0.514 4.853 4.340 -0.001 0.000 0.123 78 R C 0.585 176.878 176.300 -0.012 0.000 0.659 78 R CA -0.122 55.972 56.100 -0.011 0.000 1.732 78 R CB 0.164 30.457 30.300 -0.012 0.000 0.775 78 R HN 0.465 nan 8.270 nan 0.000 0.653 79 E N 0.683 120.875 120.200 -0.014 0.000 2.191 79 E HA 0.208 4.558 4.350 -0.001 0.000 0.274 79 E C -0.659 175.930 176.600 -0.019 0.000 0.948 79 E CA -0.557 55.834 56.400 -0.015 0.000 0.802 79 E CB 1.264 30.956 29.700 -0.015 0.000 1.137 79 E HN 0.236 nan 8.360 nan 0.000 0.397 80 L N 2.466 123.678 121.223 -0.019 0.000 2.559 80 L HA 0.123 4.462 4.340 -0.001 0.000 0.274 80 L C 0.857 177.709 176.870 -0.029 0.000 1.205 80 L CA 0.574 55.400 54.840 -0.022 0.000 0.907 80 L CB -0.230 41.818 42.059 -0.020 0.000 1.153 80 L HN 0.479 nan 8.230 nan 0.000 0.490 81 R N 2.402 122.882 120.500 -0.034 0.000 2.807 81 R HA 0.788 5.128 4.340 -0.001 0.000 0.276 81 R C -0.129 176.141 176.300 -0.050 0.000 0.979 81 R CA -0.365 55.708 56.100 -0.045 0.000 0.928 81 R CB 0.561 30.834 30.300 -0.045 0.000 1.191 81 R HN 0.590 nan 8.270 nan 0.000 0.471 82 K N 2.938 123.299 120.400 -0.065 0.000 2.414 82 K HA 0.410 4.729 4.320 -0.001 0.000 0.272 82 K C -1.714 174.847 176.600 -0.066 0.000 0.993 82 K CA -0.367 55.878 56.287 -0.070 0.000 0.964 82 K CB -0.328 32.114 32.500 -0.097 0.000 0.925 82 K HN 0.772 nan 8.250 nan 0.000 0.487 83 P HA 0.429 nan 4.420 nan 0.000 0.333 83 P C -0.448 176.804 177.300 -0.081 0.000 1.315 83 P CA -0.446 62.617 63.100 -0.061 0.000 0.746 83 P CB 0.418 32.087 31.700 -0.051 0.000 1.575 84 L N -1.726 119.442 121.223 -0.092 0.000 2.426 84 L HA 0.324 4.663 4.340 -0.001 0.000 0.260 84 L C 0.734 177.490 176.870 -0.190 0.000 1.233 84 L CA -0.404 54.359 54.840 -0.127 0.000 1.267 84 L CB -0.576 41.419 42.059 -0.107 0.000 1.814 84 L HN 0.219 nan 8.230 nan 0.000 0.561 85 Q N 0.660 120.282 119.800 -0.296 0.000 2.819 85 Q HA 0.269 4.609 4.340 -0.001 0.000 0.392 85 Q C -0.165 175.649 176.000 -0.310 0.000 1.088 85 Q CA 0.098 55.569 55.803 -0.553 0.000 1.062 85 Q CB 0.485 28.461 28.738 -1.271 0.000 1.369 85 Q HN 0.563 nan 8.270 nan 0.000 0.434 86 E N -0.446 119.676 120.200 -0.130 0.000 2.601 86 E HA 0.071 4.421 4.350 -0.001 0.000 0.219 86 E C 0.058 176.657 176.600 -0.002 0.000 0.964 86 E CA -0.082 56.298 56.400 -0.034 0.000 1.050 86 E CB 0.810 30.488 29.700 -0.038 0.000 1.068 86 E HN 0.268 nan 8.360 nan 0.000 0.496 87 S N 0.439 116.133 115.700 -0.009 0.000 2.587 87 S HA -0.011 4.459 4.470 -0.001 0.000 0.260 87 S C 1.886 176.529 174.600 0.071 0.000 1.353 87 S CA -0.208 58.005 58.200 0.021 0.000 0.995 87 S CB 0.970 64.176 63.200 0.010 0.000 0.912 87 S HN 0.056 nan 8.310 nan 0.000 0.568 88 V N -0.954 118.995 119.914 0.058 0.000 2.220 88 V HA -0.013 4.107 4.120 -0.001 0.000 0.250 88 V C 1.867 178.015 176.094 0.090 0.000 1.056 88 V CA 1.859 64.197 62.300 0.062 0.000 1.016 88 V CB -1.835 30.014 31.823 0.043 0.000 0.639 88 V HN 1.045 nan 8.190 nan 0.000 0.446 89 G N -1.936 106.929 108.800 0.108 0.000 3.605 89 G HA2 0.191 4.150 3.960 -0.001 0.000 0.277 89 G HA3 0.191 4.150 3.960 -0.001 0.000 0.277 89 G C 0.012 175.015 174.900 0.171 0.000 1.093 89 G CA -0.307 44.874 45.100 0.135 0.000 0.821 89 G HN 0.548 nan 8.290 nan 0.000 0.532 90 Y N 1.934 122.270 120.300 0.060 0.000 2.537 90 Y HA 0.293 4.842 4.550 -0.001 0.000 0.339 90 Y C 0.127 176.079 175.900 0.087 0.000 1.066 90 Y CA -0.231 57.906 58.100 0.062 0.000 1.357 90 Y CB 0.432 38.907 38.460 0.025 0.000 1.175 90 Y HN 0.170 nan 8.280 nan 0.000 0.525 91 E N 4.222 124.155 120.200 -0.446 0.000 2.145 91 E HA 0.173 4.523 4.350 -0.001 0.000 0.262 91 E C -0.714 175.567 176.600 -0.531 0.000 0.883 91 E CA -0.625 55.596 56.400 -0.297 0.000 0.748 91 E CB 1.332 30.967 29.700 -0.107 0.000 1.140 91 E HN 0.496 nan 8.360 nan 0.000 0.417 92 S N 2.758 118.259 115.700 -0.332 0.000 2.533 92 S HA 0.034 4.504 4.470 -0.001 0.000 0.282 92 S C -0.046 174.510 174.600 -0.074 0.000 1.304 92 S CA 0.118 58.232 58.200 -0.143 0.000 1.063 92 S CB 0.375 63.638 63.200 0.106 0.000 0.881 92 S HN 0.371 nan 8.310 nan 0.000 0.493 93 E N 1.815 121.993 120.200 -0.036 0.000 2.518 93 E HA 0.541 4.891 4.350 -0.001 0.000 0.248 93 E C 1.180 177.795 176.600 0.025 0.000 1.028 93 E CA -0.576 55.820 56.400 -0.007 0.000 0.922 93 E CB 0.483 30.181 29.700 -0.003 0.000 1.299 93 E HN 0.607 nan 8.360 nan 0.000 0.457 94 A N 0.232 123.066 122.820 0.023 0.000 1.933 94 A HA -0.073 4.247 4.320 -0.001 0.000 0.218 94 A C 1.454 179.062 177.584 0.039 0.000 1.175 94 A CA 1.280 53.335 52.037 0.029 0.000 0.628 94 A CB -0.336 18.677 19.000 0.021 0.000 0.814 94 A HN 0.444 nan 8.150 nan 0.000 0.444 95 L N -1.578 119.671 121.223 0.043 0.000 2.617 95 L HA 0.398 4.738 4.340 -0.001 0.000 0.193 95 L C -0.211 176.705 176.870 0.077 0.000 1.655 95 L CA -0.567 54.306 54.840 0.055 0.000 3.079 95 L CB 0.018 42.108 42.059 0.051 0.000 2.896 95 L HN 0.259 nan 8.230 nan 0.000 0.876 96 L N -0.506 120.771 121.223 0.090 0.000 2.375 96 L HA 0.453 4.793 4.340 -0.001 0.000 0.268 96 L C 0.632 177.570 176.870 0.114 0.000 1.058 96 L CA -0.290 54.634 54.840 0.140 0.000 0.803 96 L CB 1.004 43.149 42.059 0.143 0.000 1.212 96 L HN 0.378 nan 8.230 nan 0.000 0.451 97 G N -0.924 107.952 108.800 0.127 0.000 2.546 97 G HA2 0.230 4.190 3.960 -0.001 0.000 0.239 97 G HA3 0.230 4.190 3.960 -0.001 0.000 0.239 97 G C -1.426 173.400 174.900 -0.123 0.000 1.476 97 G CA 0.162 45.131 45.100 -0.218 0.000 1.064 97 G HN 0.476 nan 8.290 nan 0.000 0.561 101 Y N 0.492 120.791 120.300 -0.002 0.000 2.530 101 Y HA 0.636 5.186 4.550 -0.001 0.000 0.340 101 Y C 0.938 176.894 175.900 0.094 0.000 1.247 101 Y CA 0.466 58.615 58.100 0.082 0.000 1.727 101 Y CB -0.873 37.723 38.460 0.226 0.000 1.613 101 Y HN 1.325 nan 8.280 nan 0.000 0.464 105 G N -1.012 107.752 108.800 -0.060 0.000 2.379 105 G HA2 0.893 4.853 3.960 -0.001 0.000 0.327 105 G HA3 0.893 4.853 3.960 -0.001 0.000 0.327 105 G C -0.419 174.436 174.900 -0.075 0.000 1.145 105 G CA 0.082 45.158 45.100 -0.041 0.000 0.905 105 G HN 1.768 nan 8.290 nan 0.000 0.466 106 V N 2.162 121.980 119.914 -0.159 0.000 2.443 106 V HA 0.615 4.735 4.120 -0.001 0.000 0.293 106 V C -0.071 175.816 176.094 -0.345 0.000 1.021 106 V CA -0.965 61.117 62.300 -0.362 0.000 0.848 106 V CB 1.911 33.326 31.823 -0.681 0.000 0.998 106 V HN 0.563 nan 8.190 nan 0.000 0.424 107 V N 6.788 126.490 119.914 -0.353 0.000 2.427 107 V HA 0.391 4.510 4.120 -0.001 0.000 0.268 107 V C 0.224 176.280 176.094 -0.063 0.000 1.046 107 V CA -0.028 62.059 62.300 -0.355 0.000 0.970 107 V CB 0.846 32.141 31.823 -0.880 0.000 1.001 107 V HN 0.690 nan 8.190 nan 0.000 0.476 108 I N 6.363 127.016 120.570 0.138 0.000 2.312 108 I HA 0.433 4.603 4.170 -0.001 0.000 0.290 108 I C 0.129 176.527 176.117 0.468 0.000 1.008 108 I CA -0.456 61.011 61.300 0.279 0.000 1.226 108 I CB 0.833 38.955 38.000 0.204 0.000 1.371 108 I HN 0.476 nan 8.210 nan 0.000 0.468 109 K N 6.254 126.903 120.400 0.415 0.000 2.221 109 K HA 0.640 4.960 4.320 -0.001 0.000 0.258 109 K C -1.207 175.529 176.600 0.227 0.000 0.944 109 K CA -0.914 55.566 56.287 0.320 0.000 0.823 109 K CB 2.757 35.395 32.500 0.229 0.000 1.113 109 K HN 0.325 nan 8.250 nan 0.000 0.431 110 L N 2.261 123.469 121.223 -0.025 0.000 2.342 110 L HA 0.435 4.775 4.340 -0.001 0.000 0.276 110 L C -0.101 176.704 176.870 -0.109 0.000 0.997 110 L CA -0.015 54.691 54.840 -0.222 0.000 0.838 110 L CB 1.057 42.593 42.059 -0.872 0.000 1.224 110 L HN 0.748 nan 8.230 nan 0.000 0.416 111 R N 3.424 123.903 120.500 -0.034 0.000 2.649 111 R HA 0.542 4.881 4.340 -0.001 0.000 0.270 111 R C -0.020 176.261 176.300 -0.032 0.000 1.105 111 R CA -0.031 56.062 56.100 -0.011 0.000 1.193 111 R CB -0.032 30.279 30.300 0.018 0.000 1.120 111 R HN 0.774 nan 8.270 nan 0.000 0.561 112 L N -0.040 121.173 121.223 -0.016 0.000 2.367 112 L HA 0.048 4.388 4.340 -0.001 0.000 0.215 112 L C 2.061 178.922 176.870 -0.015 0.000 1.197 112 L CA 1.261 56.089 54.840 -0.019 0.000 0.836 112 L CB 0.500 42.554 42.059 -0.008 0.000 1.242 112 L HN 0.892 nan 8.230 nan 0.000 0.553 113 S N -0.468 115.224 115.700 -0.013 0.000 2.370 113 S HA -0.108 4.362 4.470 -0.001 0.000 0.226 113 S C 0.487 175.087 174.600 -0.001 0.000 1.033 113 S CA 1.287 59.482 58.200 -0.008 0.000 1.011 113 S CB -0.705 62.490 63.200 -0.007 0.000 0.852 113 S HN 0.763 nan 8.310 nan 0.000 0.457 119 K N 0.749 121.160 120.400 0.019 0.000 2.592 119 K HA 0.587 4.906 4.320 -0.001 0.000 0.259 119 K C -1.127 175.487 176.600 0.023 0.000 0.937 119 K CA -0.036 56.266 56.287 0.025 0.000 0.874 119 K CB 0.420 32.936 32.500 0.027 0.000 1.339 119 K HN 0.451 nan 8.250 nan 0.000 0.425 120 N N 1.017 119.733 118.700 0.027 0.000 2.467 120 N HA 0.169 4.908 4.740 -0.001 0.000 0.262 120 N C -0.478 175.047 175.510 0.025 0.000 1.234 120 N CA -0.400 52.665 53.050 0.024 0.000 0.952 120 N CB 0.696 39.198 38.487 0.026 0.000 1.158 120 N HN 0.670 nan 8.380 nan 0.000 0.463 121 N N -0.207 118.504 118.700 0.019 0.000 2.513 121 N HA 0.112 4.852 4.740 -0.001 0.000 0.274 121 N C -0.684 174.836 175.510 0.018 0.000 1.189 121 N CA -0.014 53.045 53.050 0.016 0.000 0.975 121 N CB 0.549 39.042 38.487 0.010 0.000 1.157 121 N HN 0.553 nan 8.380 nan 0.000 0.465 122 D N 1.341 121.749 120.400 0.014 0.000 2.417 122 D HA 0.248 4.888 4.640 -0.001 0.000 0.250 122 D C 0.287 176.591 176.300 0.007 0.000 1.166 122 D CA 0.051 54.058 54.000 0.012 0.000 0.881 122 D CB 0.131 40.929 40.800 -0.004 0.000 1.164 122 D HN 0.328 nan 8.370 nan 0.000 0.467 123 L N 2.361 123.592 121.223 0.013 0.000 2.488 123 L HA 0.624 4.964 4.340 -0.001 0.000 0.249 123 L C 0.584 177.457 176.870 0.005 0.000 1.151 123 L CA -0.081 54.764 54.840 0.010 0.000 0.806 123 L CB 1.119 43.187 42.059 0.015 0.000 1.261 123 L HN 0.491 nan 8.230 nan 0.000 0.484 124 P HA 0.210 nan 4.420 nan 0.000 0.239 124 P C 0.491 177.790 177.300 -0.001 0.000 1.188 124 P CA 0.690 63.788 63.100 -0.002 0.000 0.794 124 P CB -0.150 31.549 31.700 -0.002 0.000 0.937 125 G N -0.143 108.660 108.800 0.005 0.000 2.647 125 G HA2 0.379 4.339 3.960 -0.001 0.000 0.234 125 G HA3 0.379 4.339 3.960 -0.001 0.000 0.234 125 G C -0.211 174.695 174.900 0.011 0.000 1.252 125 G CA 0.094 45.197 45.100 0.006 0.000 0.846 125 G HN 0.533 nan 8.290 nan 0.000 0.589 126 E N -1.384 118.816 120.200 -0.000 0.000 2.429 126 E HA 0.490 4.840 4.350 -0.001 0.000 0.276 126 E C -1.075 175.497 176.600 -0.047 0.000 0.953 126 E CA -0.857 55.538 56.400 -0.008 0.000 0.787 126 E CB 2.594 32.277 29.700 -0.027 0.000 1.307 126 E HN 0.347 nan 8.360 nan 0.000 0.458 127 V N 0.466 120.313 119.914 -0.110 0.000 2.628 127 V HA 0.519 4.638 4.120 -0.001 0.000 0.306 127 V C -0.429 175.311 176.094 -0.589 0.000 1.045 127 V CA -0.817 61.307 62.300 -0.293 0.000 0.905 127 V CB 1.708 33.380 31.823 -0.253 0.000 0.997 127 V HN 0.676 nan 8.190 nan 0.000 0.436 128 T N 4.690 118.946 114.554 -0.497 0.000 2.772 128 T HA 0.693 5.042 4.350 -0.001 0.000 0.288 128 T C -0.679 173.811 174.700 -0.350 0.000 0.994 128 T CA -0.084 61.764 62.100 -0.419 0.000 0.951 128 T CB 0.397 69.147 68.868 -0.197 0.000 0.933 128 T HN 0.324 nan 8.240 nan 0.000 0.447 129 F N 2.120 122.118 119.950 0.080 0.000 2.432 129 F HA 0.647 5.173 4.527 -0.001 0.000 0.329 129 F C 0.044 175.915 175.800 0.118 0.000 1.076 129 F CA -2.197 55.866 58.000 0.106 0.000 1.018 129 F CB 0.652 39.727 39.000 0.123 0.000 1.201 129 F HN 0.511 nan 8.300 nan 0.000 0.489 130 F N 1.180 121.257 119.950 0.212 0.000 2.394 130 F HA 0.595 5.122 4.527 -0.001 0.000 0.340 130 F C -0.217 175.653 175.800 0.117 0.000 1.105 130 F CA -0.355 57.721 58.000 0.125 0.000 1.124 130 F CB 1.170 40.233 39.000 0.105 0.000 1.145 130 F HN 0.406 nan 8.300 nan 0.000 0.505 131 T N 4.702 118.875 114.554 -0.635 0.000 2.928 131 T HA 0.609 4.959 4.350 -0.001 0.000 0.296 131 T C 0.075 174.427 174.700 -0.580 0.000 1.000 131 T CA -0.068 61.634 62.100 -0.663 0.000 0.989 131 T CB 1.165 69.894 68.868 -0.232 0.000 1.005 131 T HN 0.886 nan 8.240 nan 0.000 0.442 132 A N 3.031 125.513 122.820 -0.564 0.000 2.337 132 A HA 0.441 4.761 4.320 -0.001 0.000 0.227 132 A C 0.908 178.449 177.584 -0.071 0.000 1.259 132 A CA -0.105 51.834 52.037 -0.162 0.000 0.870 132 A CB 0.048 19.016 19.000 -0.053 0.000 0.927 132 A HN 0.656 nan 8.150 nan 0.000 0.497 133 S N -0.034 115.614 115.700 -0.086 0.000 2.665 133 S HA 0.179 4.649 4.470 -0.001 0.000 0.235 133 S C 0.964 175.576 174.600 0.020 0.000 1.084 133 S CA -0.035 58.151 58.200 -0.024 0.000 1.151 133 S CB -0.433 62.749 63.200 -0.031 0.000 1.151 133 S HN 0.581 nan 8.310 nan 0.000 0.461 134 I N 0.478 121.069 120.570 0.035 0.000 2.181 134 I HA -0.282 3.887 4.170 -0.001 0.000 0.247 134 I C 1.428 177.681 176.117 0.226 0.000 1.081 134 I CA 1.922 63.283 61.300 0.102 0.000 1.340 134 I CB -0.657 37.385 38.000 0.070 0.000 1.036 134 I HN 0.167 nan 8.210 nan 0.000 0.417 135 D N 0.666 121.151 120.400 0.143 0.000 2.162 135 D HA -0.079 4.560 4.640 -0.001 0.000 0.203 135 D C 2.010 178.360 176.300 0.082 0.000 0.967 135 D CA 0.892 54.963 54.000 0.119 0.000 0.840 135 D CB -0.388 40.455 40.800 0.073 0.000 0.972 135 D HN 0.393 nan 8.370 nan 0.000 0.482 136 K N -0.204 120.233 120.400 0.063 0.000 2.097 136 K HA -0.046 4.274 4.320 -0.001 0.000 0.205 136 K C 1.863 178.491 176.600 0.047 0.000 1.050 136 K CA 0.457 56.766 56.287 0.037 0.000 0.938 136 K CB -0.122 32.388 32.500 0.017 0.000 0.718 136 K HN 0.091 nan 8.250 nan 0.000 0.442 137 L N 1.661 122.941 121.223 0.096 0.000 2.072 137 L HA -0.121 4.219 4.340 -0.001 0.000 0.205 137 L C 2.127 179.082 176.870 0.141 0.000 1.079 137 L CA 1.759 56.681 54.840 0.137 0.000 0.752 137 L CB -0.306 41.879 42.059 0.211 0.000 0.906 137 L HN -0.040 nan 8.230 nan 0.000 0.436 138 K N -0.661 119.836 120.400 0.162 0.000 2.032 138 K HA -0.200 4.119 4.320 -0.001 0.000 0.209 138 K C 2.011 178.552 176.600 -0.098 0.000 1.048 138 K CA 1.510 57.729 56.287 -0.113 0.000 0.927 138 K CB -0.277 32.177 32.500 -0.078 0.000 0.712 138 K HN 0.485 nan 8.250 nan 0.000 0.441 139 A N 1.083 123.885 122.820 -0.029 0.000 1.933 139 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 139 A C 1.883 179.446 177.584 -0.035 0.000 1.175 139 A CA 1.587 53.606 52.037 -0.031 0.000 0.628 139 A CB -0.287 18.705 19.000 -0.012 0.000 0.814 139 A HN 0.265 nan 8.150 nan 0.000 0.444 140 K N -0.627 119.756 120.400 -0.029 0.000 2.103 140 K HA 0.051 4.370 4.320 -0.001 0.000 0.204 140 K C 1.844 178.411 176.600 -0.055 0.000 1.052 140 K CA 1.063 57.324 56.287 -0.043 0.000 0.945 140 K CB -0.290 32.182 32.500 -0.047 0.000 0.722 140 K HN 0.447 nan 8.250 nan 0.000 0.443 141 L N 0.753 121.945 121.223 -0.052 0.000 2.056 141 L HA -0.158 4.181 4.340 -0.001 0.000 0.207 141 L C 2.411 179.250 176.870 -0.051 0.000 1.078 141 L CA 0.977 55.788 54.840 -0.048 0.000 0.749 141 L CB -0.249 41.781 42.059 -0.049 0.000 0.901 141 L HN 0.184 nan 8.230 nan 0.000 0.433 142 I N -0.532 119.993 120.570 -0.074 0.000 2.394 142 I HA -0.264 3.906 4.170 -0.001 0.000 0.251 142 I C 2.495 178.588 176.117 -0.039 0.000 1.136 142 I CA 1.254 62.517 61.300 -0.061 0.000 1.425 142 I CB 0.009 37.965 38.000 -0.073 0.000 1.079 142 I HN 0.314 nan 8.210 nan 0.000 0.425 143 E N 0.530 120.708 120.200 -0.038 0.000 2.274 143 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 143 E C 1.649 178.233 176.600 -0.026 0.000 0.996 143 E CA 1.326 57.708 56.400 -0.030 0.000 0.840 143 E CB 0.233 29.914 29.700 -0.032 0.000 0.772 143 E HN 0.614 nan 8.360 nan 0.000 0.491 144 I N -0.870 119.685 120.570 -0.025 0.000 4.716 144 I HA 0.369 4.538 4.170 -0.001 0.000 0.240 144 I C 1.676 177.808 176.117 0.025 0.000 1.006 144 I CA 0.709 62.004 61.300 -0.007 0.000 1.875 144 I CB -0.966 37.014 38.000 -0.034 0.000 1.537 144 I HN 0.101 nan 8.210 nan 0.000 0.461 145 G N -0.157 108.681 108.800 0.062 0.000 3.022 145 G HA2 0.689 4.649 3.960 -0.001 0.000 0.157 145 G HA3 0.689 4.649 3.960 -0.001 0.000 0.157 145 G C 0.321 175.244 174.900 0.038 0.000 1.468 145 G CA 0.424 45.575 45.100 0.085 0.000 1.058 145 G HN 1.646 nan 8.290 nan 0.000 0.581 146 A N -1.993 120.853 122.820 0.044 0.000 2.337 146 A HA 0.761 5.080 4.320 -0.001 0.000 0.331 146 A C -0.255 177.328 177.584 -0.002 0.000 1.137 146 A CA 0.332 52.374 52.037 0.007 0.000 0.807 146 A CB 1.200 20.200 19.000 0.000 0.000 1.250 146 A HN 1.312 nan 8.150 nan 0.000 0.468 147 E N 1.809 121.980 120.200 -0.049 0.000 2.346 147 E HA 0.554 4.903 4.350 -0.001 0.000 0.239 147 E C -0.648 175.928 176.600 -0.040 0.000 0.943 147 E CA -0.541 55.796 56.400 -0.106 0.000 0.751 147 E CB 0.264 29.804 29.700 -0.267 0.000 1.241 147 E HN 0.621 nan 8.360 nan 0.000 0.423 148 I N 2.105 122.697 120.570 0.037 0.000 2.754 148 I HA 0.140 4.310 4.170 -0.001 0.000 0.285 148 I C 0.636 176.811 176.117 0.096 0.000 1.166 148 I CA -0.480 60.857 61.300 0.062 0.000 1.417 148 I CB 0.826 38.870 38.000 0.074 0.000 1.382 148 I HN 0.473 nan 8.210 nan 0.000 0.588 149 I N 6.383 126.997 120.570 0.074 0.000 2.638 149 I HA 0.265 4.435 4.170 -0.001 0.000 0.286 149 I C -1.804 174.373 176.117 0.100 0.000 1.088 149 I CA -2.013 59.339 61.300 0.085 0.000 1.397 149 I CB -0.456 37.575 38.000 0.052 0.000 1.414 149 I HN 0.397 nan 8.210 nan 0.000 0.566 150 P HA 0.559 nan 4.420 nan 0.000 0.283 150 P C -0.955 176.382 177.300 0.061 0.000 1.278 150 P CA -0.454 62.701 63.100 0.092 0.000 0.834 150 P CB 1.525 33.289 31.700 0.107 0.000 1.150 151 S N -1.153 114.574 115.700 0.046 0.000 2.540 151 S HA 0.727 5.196 4.470 -0.001 0.000 0.275 151 S C -0.075 174.541 174.600 0.028 0.000 1.123 151 S CA 0.182 58.402 58.200 0.034 0.000 0.907 151 S CB 0.997 64.212 63.200 0.025 0.000 1.081 151 S HN 0.786 nan 8.310 nan 0.000 0.476 156 V N 0.911 120.833 119.914 0.013 0.000 2.539 156 V HA 0.330 4.450 4.120 -0.001 0.000 0.300 156 V C 1.410 177.518 176.094 0.023 0.000 1.019 156 V CA 1.213 63.510 62.300 -0.004 0.000 1.160 156 V CB 0.193 32.007 31.823 -0.014 0.000 0.901 156 V HN 0.538 nan 8.190 nan 0.000 0.481 157 E N 4.340 124.518 120.200 -0.037 0.000 2.076 157 E HA 0.170 4.519 4.350 -0.001 0.000 0.190 157 E C 0.250 176.891 176.600 0.069 0.000 0.979 157 E CA 1.578 57.959 56.400 -0.030 0.000 0.807 157 E CB 0.178 29.785 29.700 -0.156 0.000 0.761 157 E HN 0.975 nan 8.360 nan 0.000 0.454 158 F N -3.022 116.970 119.950 0.070 0.000 3.250 158 F HA 0.643 5.169 4.527 -0.001 0.000 0.326 158 F C -0.672 175.163 175.800 0.058 0.000 1.154 158 F CA -1.305 56.730 58.000 0.058 0.000 0.870 158 F CB 0.968 40.002 39.000 0.057 0.000 1.476 158 F HN -0.313 nan 8.300 nan 0.000 0.491 159 S N -0.890 115.085 115.700 0.458 0.000 2.638 159 S HA 0.806 5.276 4.470 -0.001 0.000 0.274 159 S C -1.276 173.506 174.600 0.302 0.000 1.157 159 S CA 0.052 58.429 58.200 0.294 0.000 0.826 159 S CB 2.069 65.358 63.200 0.148 0.000 1.139 159 S HN 1.133 nan 8.310 nan 0.000 0.474 160 T N 0.041 114.736 114.554 0.235 0.000 2.754 160 T HA 0.888 5.238 4.350 -0.001 0.000 0.296 160 T C -1.130 173.639 174.700 0.116 0.000 1.205 160 T CA 0.035 62.252 62.100 0.194 0.000 1.009 160 T CB 1.508 70.545 68.868 0.282 0.000 1.368 160 T HN 1.141 nan 8.240 nan 0.000 0.509 161 R N 1.022 121.547 120.500 0.043 0.000 2.734 161 R HA 0.823 5.163 4.340 -0.001 0.000 0.271 161 R C -1.407 174.684 176.300 -0.348 0.000 1.021 161 R CA -0.447 55.591 56.100 -0.104 0.000 0.893 161 R CB 0.984 31.234 30.300 -0.084 0.000 1.244 161 R HN 0.859 nan 8.270 nan 0.000 0.464 162 D N -1.414 118.715 120.400 -0.453 0.000 3.236 162 D HA 0.486 5.125 4.640 -0.001 0.000 0.325 162 D C -1.635 174.473 176.300 -0.319 0.000 1.352 162 D CA 0.069 53.722 54.000 -0.578 0.000 0.979 162 D CB 1.510 41.694 40.800 -1.027 0.000 1.410 162 D HN 0.273 nan 8.370 nan 0.000 0.588 163 P HA -0.027 nan 4.420 nan 0.000 0.223 163 P C 0.230 177.411 177.300 -0.199 0.000 1.144 163 P CA 0.879 63.881 63.100 -0.164 0.000 0.783 163 P CB 0.282 31.920 31.700 -0.104 0.000 0.771 164 M N 0.309 119.732 119.600 -0.295 0.000 2.227 164 M HA 0.407 4.887 4.480 -0.001 0.000 0.335 164 M C 0.405 176.561 176.300 -0.240 0.000 1.053 164 M CA -0.935 54.137 55.300 -0.381 0.000 0.973 164 M CB 1.546 33.656 32.600 -0.817 0.000 1.623 164 M HN -0.208 nan 8.290 nan 0.000 0.434 165 G N 3.194 111.904 108.800 -0.151 0.000 2.325 165 G HA2 0.536 4.496 3.960 -0.001 0.000 0.298 165 G HA3 0.536 4.496 3.960 -0.001 0.000 0.298 165 G C -0.787 174.119 174.900 0.010 0.000 1.134 165 G CA -0.296 44.772 45.100 -0.053 0.000 0.876 165 G HN 0.626 nan 8.290 nan 0.000 0.452 166 D N 0.594 121.048 120.400 0.090 0.000 2.671 166 D HA 0.451 5.091 4.640 -0.001 0.000 0.232 166 D C -0.076 176.277 176.300 0.088 0.000 1.114 166 D CA -0.144 53.929 54.000 0.121 0.000 0.858 166 D CB 2.692 43.699 40.800 0.345 0.000 1.544 166 D HN 0.262 nan 8.370 nan 0.000 0.471 167 V N 0.214 120.103 119.914 -0.042 0.000 2.966 167 V HA 0.694 4.813 4.120 -0.001 0.000 0.317 167 V C 0.132 176.176 176.094 -0.084 0.000 1.070 167 V CA -0.779 61.494 62.300 -0.045 0.000 1.008 167 V CB 1.709 33.488 31.823 -0.073 0.000 1.070 167 V HN 0.419 nan 8.190 nan 0.000 0.457 168 I N 1.523 122.033 120.570 -0.100 0.000 2.656 168 I HA 0.692 4.861 4.170 -0.001 0.000 0.292 168 I C 0.037 176.047 176.117 -0.178 0.000 1.144 168 I CA 0.364 61.580 61.300 -0.140 0.000 1.038 168 I CB 2.324 40.169 38.000 -0.259 0.000 1.244 168 I HN 1.061 nan 8.210 nan 0.000 0.420 169 S N 4.398 120.068 115.700 -0.049 0.000 3.407 169 S HA 0.611 5.081 4.470 -0.001 0.000 0.315 169 S C -1.201 173.562 174.600 0.272 0.000 1.211 169 S CA -0.767 57.469 58.200 0.059 0.000 1.148 169 S CB 0.774 63.969 63.200 -0.009 0.000 1.511 169 S HN 0.461 nan 8.310 nan 0.000 0.604 170 F N 1.978 122.045 119.950 0.195 0.000 2.522 170 F HA 0.882 5.409 4.527 -0.001 0.000 0.324 170 F C 0.443 176.344 175.800 0.169 0.000 1.077 170 F CA -0.433 57.782 58.000 0.358 0.000 0.944 170 F CB 1.339 40.468 39.000 0.215 0.000 1.175 170 F HN 0.845 nan 8.300 nan 0.000 0.468 171 S N 0.648 116.290 115.700 -0.097 0.000 2.647 171 S HA 0.006 4.476 4.470 -0.001 0.000 0.251 171 S C 1.338 175.824 174.600 -0.190 0.000 1.320 171 S CA 0.122 58.170 58.200 -0.252 0.000 0.968 171 S CB 0.281 63.167 63.200 -0.523 0.000 1.005 171 S HN 0.899 nan 8.310 nan 0.000 0.576 172 S N -1.072 114.561 115.700 -0.113 0.000 2.474 172 S HA 0.047 4.517 4.470 -0.001 0.000 0.235 172 S C 0.183 174.744 174.600 -0.065 0.000 0.997 172 S CA 0.333 58.465 58.200 -0.113 0.000 0.949 172 S CB -0.792 62.329 63.200 -0.132 0.000 0.766 172 S HN 0.531 nan 8.310 nan 0.000 0.517 173 Y N 1.361 121.636 120.300 -0.041 0.000 2.258 173 Y HA 0.219 4.769 4.550 -0.001 0.000 0.345 173 Y C -0.890 175.095 175.900 0.142 0.000 1.303 173 Y CA -1.507 56.602 58.100 0.015 0.000 1.537 173 Y CB -0.038 38.393 38.460 -0.050 0.000 1.383 173 Y HN 0.080 nan 8.280 nan 0.000 0.606 174 P HA -0.043 nan 4.420 nan 0.000 0.216 174 P C -0.622 176.696 177.300 0.030 0.000 1.153 174 P CA 1.231 64.438 63.100 0.178 0.000 0.844 174 P CB 0.258 32.017 31.700 0.097 0.000 0.787 175 S N -2.733 112.993 115.700 0.044 0.000 2.661 175 S HA 0.756 5.226 4.470 -0.001 0.000 0.285 175 S C -0.384 174.277 174.600 0.102 0.000 1.138 175 S CA -0.852 57.313 58.200 -0.059 0.000 0.855 175 S CB 0.828 63.982 63.200 -0.076 0.000 1.136 175 S HN 0.085 nan 8.310 nan 0.000 0.484 179 K N 1.260 121.673 120.400 0.022 0.000 2.046 179 K HA 0.461 4.781 4.320 -0.001 0.000 0.248 179 K C 1.164 177.770 176.600 0.009 0.000 1.123 179 K CA 0.740 57.035 56.287 0.012 0.000 1.145 179 K CB -1.296 31.210 32.500 0.009 0.000 1.028 179 K HN 0.748 nan 8.250 nan 0.000 0.354 180 K N 1.127 121.531 120.400 0.005 0.000 2.062 180 K HA 0.341 4.661 4.320 -0.001 0.000 0.205 180 K C 1.596 178.193 176.600 -0.004 0.000 1.051 180 K CA 1.446 57.733 56.287 0.000 0.000 0.941 180 K CB -0.841 31.656 32.500 -0.005 0.000 0.719 180 K HN 1.436 nan 8.250 nan 0.000 0.440 181 I N 2.895 123.462 120.570 -0.004 0.000 2.347 181 I HA 0.651 4.821 4.170 -0.001 0.000 0.294 181 I C 0.812 176.930 176.117 0.000 0.000 1.090 181 I CA -0.080 61.218 61.300 -0.003 0.000 1.314 181 I CB -0.828 37.170 38.000 -0.004 0.000 1.423 181 I HN 0.669 nan 8.210 nan 0.000 0.503 182 T N 3.710 118.265 114.554 0.002 0.000 2.899 182 T HA 0.737 5.087 4.350 -0.001 0.000 0.284 182 T C 0.816 175.523 174.700 0.011 0.000 1.004 182 T CA 0.041 62.144 62.100 0.006 0.000 1.043 182 T CB 0.165 69.037 68.868 0.007 0.000 1.013 182 T HN 1.872 nan 8.240 nan 0.000 0.518 183 S N 3.108 118.816 115.700 0.013 0.000 2.430 183 S HA 0.540 5.009 4.470 -0.001 0.000 0.282 183 S C -1.852 172.760 174.600 0.021 0.000 1.186 183 S CA -1.238 56.971 58.200 0.016 0.000 1.060 183 S CB -0.817 62.392 63.200 0.016 0.000 0.966 183 S HN 0.603 nan 8.310 nan 0.000 0.501 184 P HA 0.315 nan 4.420 nan 0.000 0.271 184 P C -0.596 176.719 177.300 0.025 0.000 1.216 184 P CA -0.397 62.718 63.100 0.024 0.000 0.771 184 P CB 0.511 32.223 31.700 0.021 0.000 0.864 185 D N 0.255 120.672 120.400 0.029 0.000 2.362 185 D HA 0.351 4.990 4.640 -0.001 0.000 0.238 185 D C 0.268 176.582 176.300 0.024 0.000 1.212 185 D CA 0.431 54.447 54.000 0.028 0.000 0.902 185 D CB 0.208 41.027 40.800 0.032 0.000 1.180 185 D HN 0.257 nan 8.370 nan 0.000 0.445 209 G N 2.445 111.267 108.800 0.036 0.000 2.404 209 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.215 209 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.215 209 G C 0.464 175.381 174.900 0.030 0.000 1.174 209 G CA 0.640 45.756 45.100 0.026 0.000 0.780 209 G HN 0.218 nan 8.290 nan 0.000 0.537 210 K N -0.280 120.147 120.400 0.044 0.000 2.155 210 K HA 0.415 4.735 4.320 -0.001 0.000 0.237 210 K C -0.185 176.452 176.600 0.062 0.000 1.040 210 K CA -0.493 55.824 56.287 0.050 0.000 0.912 210 K CB 0.689 33.224 32.500 0.058 0.000 1.137 210 K HN -0.072 nan 8.250 nan 0.000 0.498 211 K N 1.426 121.865 120.400 0.065 0.000 2.227 211 K HA 0.117 4.437 4.320 -0.001 0.000 0.280 211 K C -0.939 175.724 176.600 0.104 0.000 1.041 211 K CA -0.211 56.117 56.287 0.069 0.000 0.905 211 K CB 0.745 33.274 32.500 0.048 0.000 1.068 211 K HN 0.250 nan 8.250 nan 0.000 0.470 212 K N 5.084 125.549 120.400 0.109 0.000 2.266 212 K HA 0.280 4.600 4.320 -0.001 0.000 0.274 212 K C -0.531 176.139 176.600 0.117 0.000 1.090 212 K CA -0.220 56.159 56.287 0.154 0.000 0.925 212 K CB 0.604 33.134 32.500 0.050 0.000 1.225 212 K HN 0.436 nan 8.250 nan 0.000 0.458 213 I N 2.613 123.264 120.570 0.136 0.000 2.331 213 I HA 0.223 4.392 4.170 -0.001 0.000 0.292 213 I C 0.199 176.370 176.117 0.091 0.000 0.998 213 I CA -0.550 60.797 61.300 0.079 0.000 1.267 213 I CB 1.517 39.548 38.000 0.051 0.000 1.386 213 I HN 0.531 nan 8.210 nan 0.000 0.476 214 A N 7.206 130.053 122.820 0.046 0.000 2.290 214 A HA 0.711 5.030 4.320 -0.001 0.000 0.310 214 A C -0.764 176.801 177.584 -0.032 0.000 1.202 214 A CA -0.423 51.631 52.037 0.028 0.000 0.837 214 A CB 0.885 19.893 19.000 0.014 0.000 1.139 214 A HN 0.657 nan 8.150 nan 0.000 0.509 215 I N 3.269 123.798 120.570 -0.069 0.000 2.406 215 I HA 0.654 4.823 4.170 -0.001 0.000 0.290 215 I C -0.698 175.312 176.117 -0.178 0.000 0.999 215 I CA -0.894 60.336 61.300 -0.118 0.000 1.124 215 I CB 1.287 39.218 38.000 -0.114 0.000 1.289 215 I HN 0.600 nan 8.210 nan 0.000 0.441 216 I N 4.473 124.918 120.570 -0.208 0.000 2.498 216 I HA 0.702 4.871 4.170 -0.001 0.000 0.290 216 I C -0.669 175.285 176.117 -0.271 0.000 1.032 216 I CA -0.243 60.887 61.300 -0.282 0.000 1.073 216 I CB 2.270 40.027 38.000 -0.405 0.000 1.251 216 I HN 0.646 nan 8.210 nan 0.000 0.426 217 T N 2.120 116.525 114.554 -0.248 0.000 2.821 217 T HA 0.611 4.960 4.350 -0.001 0.000 0.307 217 T C -0.196 174.374 174.700 -0.215 0.000 1.034 217 T CA -0.564 61.417 62.100 -0.199 0.000 0.953 217 T CB 0.904 69.687 68.868 -0.142 0.000 0.968 217 T HN 0.739 nan 8.240 nan 0.000 0.462 218 S N 2.563 118.121 115.700 -0.237 0.000 2.600 218 S HA 0.907 5.376 4.470 -0.001 0.000 0.300 218 S C 0.623 175.164 174.600 -0.100 0.000 1.087 218 S CA 0.643 58.711 58.200 -0.221 0.000 0.965 218 S CB 0.811 63.766 63.200 -0.408 0.000 1.089 218 S HN 1.993 nan 8.310 nan 0.000 0.496 219 G N 1.206 109.981 108.800 -0.041 0.000 2.681 219 G HA2 0.114 4.074 3.960 -0.001 0.000 0.220 219 G HA3 0.114 4.074 3.960 -0.001 0.000 0.220 219 G C 0.250 175.157 174.900 0.011 0.000 1.353 219 G CA -0.330 44.772 45.100 0.003 0.000 0.872 219 G HN 1.419 nan 8.290 nan 0.000 0.557 220 G N -0.484 108.334 108.800 0.030 0.000 2.544 220 G HA2 0.469 4.428 3.960 -0.001 0.000 0.242 220 G HA3 0.469 4.428 3.960 -0.001 0.000 0.242 220 G C -0.014 174.900 174.900 0.024 0.000 1.247 220 G CA 0.705 45.832 45.100 0.045 0.000 0.840 220 G HN 0.818 nan 8.290 nan 0.000 0.578 221 D N -0.178 120.245 120.400 0.038 0.000 2.449 221 D HA 0.434 5.074 4.640 -0.001 0.000 0.236 221 D C 0.385 176.673 176.300 -0.021 0.000 1.149 221 D CA 1.409 55.413 54.000 0.007 0.000 0.878 221 D CB 0.934 41.744 40.800 0.017 0.000 1.198 221 D HN 0.607 nan 8.370 nan 0.000 0.446 222 A N 2.425 125.230 122.820 -0.025 0.000 2.466 222 A HA 0.506 4.825 4.320 -0.001 0.000 0.284 222 A C -2.762 174.809 177.584 -0.022 0.000 1.049 222 A CA -1.462 50.561 52.037 -0.023 0.000 0.760 222 A CB 1.301 20.288 19.000 -0.022 0.000 1.274 222 A HN 0.280 nan 8.150 nan 0.000 0.412 223 P HA 0.407 nan 4.420 nan 0.000 0.270 223 P C 1.045 178.340 177.300 -0.008 0.000 1.242 223 P CA 1.540 64.636 63.100 -0.007 0.000 0.768 223 P CB 0.890 32.595 31.700 0.009 0.000 0.820 224 G N 2.749 111.532 108.800 -0.028 0.000 2.485 224 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.181 224 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.181 224 G C 1.043 175.901 174.900 -0.070 0.000 0.999 224 G CA 0.051 45.121 45.100 -0.050 0.000 0.721 224 G HN 0.390 nan 8.290 nan 0.000 0.486 225 M N 0.569 120.131 119.600 -0.063 0.000 2.108 225 M HA -0.068 4.411 4.480 -0.001 0.000 0.261 225 M C 2.392 178.642 176.300 -0.084 0.000 1.066 225 M CA 1.792 57.047 55.300 -0.075 0.000 1.107 225 M CB -0.363 32.197 32.600 -0.067 0.000 1.356 225 M HN 0.252 nan 8.290 nan 0.000 0.406 226 N N 0.579 119.235 118.700 -0.072 0.000 2.120 226 N HA -0.080 4.660 4.740 -0.001 0.000 0.188 226 N C 1.687 177.140 175.510 -0.096 0.000 1.024 226 N CA 1.700 54.703 53.050 -0.078 0.000 0.852 226 N CB -0.371 38.080 38.487 -0.060 0.000 1.003 226 N HN 0.333 nan 8.380 nan 0.000 0.424 227 A N 0.875 123.639 122.820 -0.094 0.000 1.940 227 A HA -0.034 4.286 4.320 -0.001 0.000 0.219 227 A C 2.353 179.858 177.584 -0.132 0.000 1.176 227 A CA 2.006 53.976 52.037 -0.113 0.000 0.631 227 A CB -0.793 18.144 19.000 -0.106 0.000 0.814 227 A HN 0.333 nan 8.150 nan 0.000 0.446 228 A N -0.622 122.123 122.820 -0.126 0.000 1.877 228 A HA 0.005 4.325 4.320 -0.001 0.000 0.216 228 A C 2.230 179.738 177.584 -0.126 0.000 1.186 228 A CA 1.762 53.721 52.037 -0.131 0.000 0.620 228 A CB -0.953 17.974 19.000 -0.122 0.000 0.822 228 A HN 0.397 nan 8.150 nan 0.000 0.443 229 V N 0.237 120.078 119.914 -0.123 0.000 2.343 229 V HA -0.259 3.861 4.120 -0.001 0.000 0.247 229 V C 2.678 178.690 176.094 -0.136 0.000 1.051 229 V CA 2.300 64.525 62.300 -0.126 0.000 1.036 229 V CB -0.821 30.927 31.823 -0.125 0.000 0.654 229 V HN 0.683 nan 8.190 nan 0.000 0.451 230 R N 0.246 120.657 120.500 -0.149 0.000 2.081 230 R HA -0.144 4.196 4.340 -0.001 0.000 0.235 230 R C 2.252 178.431 176.300 -0.202 0.000 1.131 230 R CA 1.682 57.668 56.100 -0.189 0.000 0.960 230 R CB -0.377 29.807 30.300 -0.193 0.000 0.856 230 R HN 0.477 nan 8.270 nan 0.000 0.436 231 A N 0.322 123.040 122.820 -0.169 0.000 1.898 231 A HA -0.055 4.265 4.320 -0.001 0.000 0.216 231 A C 2.254 179.774 177.584 -0.108 0.000 1.181 231 A CA 1.338 53.285 52.037 -0.151 0.000 0.620 231 A CB -0.430 18.480 19.000 -0.149 0.000 0.819 231 A HN 0.213 nan 8.150 nan 0.000 0.442 232 V N -0.068 119.787 119.914 -0.099 0.000 2.261 232 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 232 V C 2.748 178.815 176.094 -0.044 0.000 1.047 232 V CA 2.512 64.774 62.300 -0.063 0.000 1.015 232 V CB -1.410 30.370 31.823 -0.073 0.000 0.642 232 V HN 0.607 nan 8.190 nan 0.000 0.446 233 T N -0.046 114.460 114.554 -0.079 0.000 2.569 233 T HA -0.266 4.084 4.350 -0.001 0.000 0.263 233 T C 2.071 176.744 174.700 -0.045 0.000 1.074 233 T CA 1.988 64.045 62.100 -0.072 0.000 1.176 233 T CB -0.330 68.468 68.868 -0.117 0.000 0.863 233 T HN 0.347 nan 8.240 nan 0.000 0.410 234 R N 0.870 121.284 120.500 -0.144 0.000 2.105 234 R HA 0.001 4.341 4.340 -0.001 0.000 0.239 234 R C 2.756 179.103 176.300 0.078 0.000 1.135 234 R CA 1.291 57.299 56.100 -0.153 0.000 0.967 234 R CB -0.508 29.478 30.300 -0.522 0.000 0.861 234 R HN 0.410 nan 8.270 nan 0.000 0.442 235 A N 0.330 123.178 122.820 0.046 0.000 1.898 235 A HA -0.044 4.276 4.320 -0.001 0.000 0.216 235 A C 2.369 180.119 177.584 0.278 0.000 1.181 235 A CA 1.608 53.736 52.037 0.151 0.000 0.620 235 A CB -1.095 17.991 19.000 0.144 0.000 0.819 235 A HN 0.465 nan 8.150 nan 0.000 0.442 236 G N 0.190 109.103 108.800 0.188 0.000 2.446 236 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 236 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 236 G C 1.530 176.538 174.900 0.180 0.000 1.168 236 G CA 1.218 46.425 45.100 0.178 0.000 0.771 236 G HN 0.465 nan 8.290 nan 0.000 0.551 237 I N -0.418 120.259 120.570 0.178 0.000 2.142 237 I HA -0.119 4.051 4.170 -0.001 0.000 0.240 237 I C 2.414 178.621 176.117 0.151 0.000 1.078 237 I CA 1.122 62.529 61.300 0.178 0.000 1.343 237 I CB -0.288 37.883 38.000 0.286 0.000 1.046 237 I HN 0.203 nan 8.210 nan 0.000 0.405 238 F N 0.769 120.740 119.950 0.034 0.000 2.120 238 F HA -0.303 4.224 4.527 -0.001 0.000 0.300 238 F C 1.938 177.616 175.800 -0.204 0.000 1.095 238 F CA 1.669 59.593 58.000 -0.128 0.000 1.249 238 F CB -0.266 38.586 39.000 -0.248 0.000 0.995 238 F HN 0.017 nan 8.300 nan 0.000 0.480 239 Y N 0.729 121.070 120.300 0.069 0.000 2.502 239 Y HA 0.250 4.800 4.550 -0.001 0.000 0.295 239 Y C 1.578 177.435 175.900 -0.072 0.000 1.193 239 Y CA 0.266 58.343 58.100 -0.038 0.000 1.295 239 Y CB -0.373 38.132 38.460 0.075 0.000 1.059 239 Y HN 0.209 nan 8.280 nan 0.000 0.514 240 G N -0.429 108.387 108.800 0.026 0.000 2.204 240 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.244 240 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.244 240 G C -0.250 174.679 174.900 0.049 0.000 1.062 240 G CA -0.125 44.980 45.100 0.008 0.000 0.798 240 G HN 0.329 nan 8.290 nan 0.000 0.496 241 C N -0.640 118.708 119.300 0.079 0.000 2.668 241 C HA 0.838 5.297 4.460 -0.001 0.000 0.355 241 C C 0.444 175.483 174.990 0.082 0.000 1.277 241 C CA -1.050 58.019 59.018 0.085 0.000 1.787 241 C CB 1.972 29.770 27.740 0.098 0.000 2.233 241 C HN 0.487 nan 8.230 nan 0.000 0.495 242 K N 1.018 121.479 120.400 0.102 0.000 2.339 242 K HA 0.578 4.898 4.320 -0.001 0.000 0.264 242 K C -1.363 175.290 176.600 0.089 0.000 0.986 242 K CA -0.249 56.085 56.287 0.079 0.000 0.866 242 K CB 1.590 34.181 32.500 0.150 0.000 1.103 242 K HN 0.410 nan 8.250 nan 0.000 0.441 243 V N 4.493 124.392 119.914 -0.025 0.000 2.406 243 V HA 0.215 4.334 4.120 -0.001 0.000 0.272 243 V C -0.760 175.252 176.094 -0.138 0.000 1.043 243 V CA -0.582 61.710 62.300 -0.012 0.000 0.915 243 V CB 0.029 31.841 31.823 -0.019 0.000 0.988 243 V HN 0.575 nan 8.190 nan 0.000 0.466 244 Y N 2.774 123.063 120.300 -0.018 0.000 2.331 244 Y HA 0.652 5.202 4.550 -0.001 0.000 0.338 244 Y C 0.586 176.435 175.900 -0.085 0.000 0.992 244 Y CA -0.519 57.567 58.100 -0.024 0.000 1.121 244 Y CB 1.682 40.139 38.460 -0.005 0.000 1.184 244 Y HN 0.708 nan 8.280 nan 0.000 0.469 245 A N 2.377 125.175 122.820 -0.036 0.000 2.363 245 A HA 0.423 4.743 4.320 -0.001 0.000 0.270 245 A C -0.599 176.824 177.584 -0.269 0.000 1.121 245 A CA -0.489 51.380 52.037 -0.280 0.000 0.800 245 A CB 0.139 18.788 19.000 -0.585 0.000 1.052 245 A HN 0.907 nan 8.150 nan 0.000 0.493 246 C N 4.799 123.922 119.300 -0.295 0.000 2.258 246 C HA 0.644 5.104 4.460 -0.001 0.000 0.321 246 C C -0.549 174.300 174.990 -0.235 0.000 1.168 246 C CA -1.057 57.864 59.018 -0.162 0.000 1.531 246 C CB -2.060 25.613 27.740 -0.112 0.000 2.095 246 C HN 0.691 nan 8.230 nan 0.000 0.449 247 Y N 4.208 124.490 120.300 -0.030 0.000 2.480 247 Y HA 0.243 4.792 4.550 -0.001 0.000 0.338 247 Y C 1.318 177.189 175.900 -0.048 0.000 1.220 247 Y CA 0.951 59.029 58.100 -0.036 0.000 1.430 247 Y CB 0.490 38.941 38.460 -0.016 0.000 1.311 247 Y HN 0.641 nan 8.280 nan 0.000 0.575 248 E N 1.260 121.513 120.200 0.087 0.000 2.291 248 E HA -0.235 4.115 4.350 -0.001 0.000 0.181 248 E C 0.908 177.483 176.600 -0.041 0.000 1.480 248 E CA 0.933 57.348 56.400 0.026 0.000 0.674 248 E CB -1.584 28.147 29.700 0.052 0.000 1.108 248 E HN 1.050 nan 8.360 nan 0.000 0.357 249 G N 0.647 109.371 108.800 -0.127 0.000 2.627 249 G HA2 -0.425 3.535 3.960 -0.001 0.000 0.312 249 G HA3 -0.425 3.535 3.960 -0.001 0.000 0.312 249 G C 0.612 175.325 174.900 -0.312 0.000 1.299 249 G CA 0.812 45.753 45.100 -0.265 0.000 0.989 249 G HN 0.374 nan 8.290 nan 0.000 0.547 250 Y N 1.878 122.037 120.300 -0.235 0.000 2.421 250 Y HA -0.032 4.518 4.550 -0.001 0.000 0.292 250 Y C 3.324 179.134 175.900 -0.149 0.000 1.136 250 Y CA 2.274 60.165 58.100 -0.348 0.000 1.255 250 Y CB -0.842 37.241 38.460 -0.628 0.000 0.991 250 Y HN 0.755 nan 8.280 nan 0.000 0.552 251 T N -3.061 111.530 114.554 0.062 0.000 2.720 251 T HA -0.168 4.182 4.350 -0.001 0.000 0.268 251 T C 2.352 177.090 174.700 0.064 0.000 1.037 251 T CA 1.458 63.601 62.100 0.072 0.000 1.144 251 T CB -1.011 67.892 68.868 0.059 0.000 0.864 251 T HN 0.362 nan 8.240 nan 0.000 0.444 252 G N 0.700 109.525 108.800 0.042 0.000 2.443 252 G HA2 0.036 3.996 3.960 -0.001 0.000 0.219 252 G HA3 0.036 3.996 3.960 -0.001 0.000 0.219 252 G C 1.443 176.377 174.900 0.057 0.000 1.131 252 G CA 0.703 45.840 45.100 0.061 0.000 0.775 252 G HN 0.491 nan 8.290 nan 0.000 0.547 253 L N 0.470 121.713 121.223 0.033 0.000 2.179 253 L HA 0.166 4.506 4.340 -0.001 0.000 0.208 253 L C 2.768 179.708 176.870 0.116 0.000 1.096 253 L CA 0.965 55.838 54.840 0.055 0.000 0.779 253 L CB 0.032 42.096 42.059 0.008 0.000 0.922 253 L HN 0.063 nan 8.230 nan 0.000 0.443 254 V N 0.265 120.257 119.914 0.131 0.000 2.346 254 V HA -0.181 3.939 4.120 -0.001 0.000 0.244 254 V C 1.956 178.123 176.094 0.122 0.000 1.037 254 V CA 1.786 64.177 62.300 0.152 0.000 1.029 254 V CB -0.733 31.189 31.823 0.165 0.000 0.663 254 V HN 0.565 nan 8.190 nan 0.000 0.454 255 K N 1.604 122.064 120.400 0.099 0.000 2.520 255 K HA 0.212 4.532 4.320 -0.001 0.000 0.205 255 K C 0.822 177.475 176.600 0.087 0.000 1.035 255 K CA 0.156 56.495 56.287 0.086 0.000 1.188 255 K CB -0.018 32.523 32.500 0.068 0.000 0.894 255 K HN 0.302 nan 8.250 nan 0.000 0.497 256 G N 0.896 109.754 108.800 0.097 0.000 2.178 256 G HA2 0.182 4.142 3.960 -0.001 0.000 0.276 256 G HA3 0.182 4.142 3.960 -0.001 0.000 0.276 256 G C 0.270 175.217 174.900 0.079 0.000 1.038 256 G CA 0.201 45.353 45.100 0.087 0.000 1.177 256 G HN 0.496 nan 8.290 nan 0.000 0.396 257 G N 1.709 110.554 108.800 0.074 0.000 2.736 257 G HA2 0.080 4.040 3.960 -0.001 0.000 0.152 257 G HA3 0.080 4.040 3.960 -0.001 0.000 0.152 257 G C 0.711 175.652 174.900 0.068 0.000 1.537 257 G CA 0.568 45.706 45.100 0.064 0.000 0.861 257 G HN 0.459 nan 8.290 nan 0.000 0.736 258 D N -0.262 120.173 120.400 0.059 0.000 2.347 258 D HA 0.114 4.754 4.640 -0.001 0.000 0.213 258 D C 2.299 178.640 176.300 0.067 0.000 0.985 258 D CA 0.343 54.373 54.000 0.050 0.000 0.879 258 D CB 0.106 40.918 40.800 0.019 0.000 0.919 258 D HN 0.081 nan 8.370 nan 0.000 0.526 259 M N -0.048 119.611 119.600 0.099 0.000 2.492 259 M HA 0.029 4.509 4.480 -0.001 0.000 0.262 259 M C -0.072 176.393 176.300 0.274 0.000 1.090 259 M CA 0.518 55.918 55.300 0.167 0.000 1.110 259 M CB 0.165 32.840 32.600 0.124 0.000 1.407 259 M HN 0.036 nan 8.290 nan 0.000 0.470 260 L N 1.457 122.802 121.223 0.204 0.000 2.283 260 L HA 0.357 4.697 4.340 -0.001 0.000 0.281 260 L C -0.455 176.594 176.870 0.299 0.000 1.033 260 L CA 0.223 55.192 54.840 0.214 0.000 0.848 260 L CB 0.679 42.801 42.059 0.105 0.000 1.226 260 L HN 0.089 nan 8.230 nan 0.000 0.429 261 K N 2.309 122.943 120.400 0.390 0.000 2.371 261 K HA 0.381 4.701 4.320 -0.001 0.000 0.251 261 K C -0.284 176.432 176.600 0.194 0.000 0.934 261 K CA -0.758 55.732 56.287 0.338 0.000 0.798 261 K CB 2.693 35.396 32.500 0.339 0.000 1.204 261 K HN 0.373 nan 8.250 nan 0.000 0.427 262 E N 2.455 122.611 120.200 -0.073 0.000 2.390 262 E HA 0.136 4.485 4.350 -0.001 0.000 0.261 262 E C -0.871 175.609 176.600 -0.200 0.000 1.076 262 E CA -0.071 56.023 56.400 -0.509 0.000 0.905 262 E CB 0.674 29.950 29.700 -0.707 0.000 0.984 262 E HN 0.343 nan 8.360 nan 0.000 0.427 263 L N 3.742 124.839 121.223 -0.211 0.000 2.322 263 L HA 0.277 4.617 4.340 -0.001 0.000 0.281 263 L C 0.030 176.855 176.870 -0.076 0.000 1.014 263 L CA -0.833 53.947 54.840 -0.099 0.000 0.815 263 L CB 1.646 43.649 42.059 -0.093 0.000 1.247 263 L HN 0.372 nan 8.230 nan 0.000 0.421 264 Q N 0.942 120.729 119.800 -0.021 0.000 2.215 264 Q HA 0.050 4.390 4.340 -0.001 0.000 0.256 264 Q C 0.362 176.420 176.000 0.096 0.000 0.972 264 Q CA -0.520 55.308 55.803 0.041 0.000 0.889 264 Q CB 1.617 30.384 28.738 0.047 0.000 1.281 264 Q HN 0.679 nan 8.270 nan 0.000 0.456 265 W N 1.692 122.967 121.300 -0.041 0.000 2.313 265 W HA -0.233 4.427 4.660 -0.001 0.000 0.293 265 W C 1.951 178.447 176.519 -0.038 0.000 1.216 265 W CA 1.876 59.199 57.345 -0.036 0.000 1.223 265 W CB 0.408 29.851 29.460 -0.028 0.000 1.138 265 W HN 0.707 nan 8.180 nan 0.000 0.535 266 Q N -0.619 119.311 119.800 0.216 0.000 2.269 266 Q HA -0.141 4.199 4.340 -0.001 0.000 0.201 266 Q C 1.508 177.515 176.000 0.012 0.000 0.946 266 Q CA 1.207 57.078 55.803 0.114 0.000 0.877 266 Q CB -0.063 28.747 28.738 0.120 0.000 0.963 266 Q HN 0.130 nan 8.270 nan 0.000 0.472 267 D N -0.124 120.277 120.400 0.001 0.000 2.178 267 D HA -0.138 4.502 4.640 -0.001 0.000 0.201 267 D C 1.483 177.750 176.300 -0.055 0.000 0.980 267 D CA 1.245 55.235 54.000 -0.017 0.000 0.842 267 D CB 0.095 40.891 40.800 -0.007 0.000 0.948 267 D HN 0.273 nan 8.370 nan 0.000 0.472 268 V N -1.622 118.227 119.914 -0.109 0.000 3.499 268 V HA 0.215 4.335 4.120 -0.001 0.000 0.308 268 V C 0.741 176.730 176.094 -0.175 0.000 1.319 268 V CA -0.460 61.750 62.300 -0.150 0.000 1.194 268 V CB -0.807 30.900 31.823 -0.194 0.000 1.072 268 V HN -0.106 nan 8.190 nan 0.000 0.426 269 R N 1.339 121.756 120.500 -0.138 0.000 2.585 269 R HA 0.341 4.681 4.340 -0.001 0.000 0.275 269 R C 1.524 177.764 176.300 -0.099 0.000 1.018 269 R CA 0.977 57.001 56.100 -0.126 0.000 1.072 269 R CB 0.328 30.584 30.300 -0.073 0.000 0.953 269 R HN 0.743 nan 8.270 nan 0.000 0.419 270 G N 2.895 111.635 108.800 -0.100 0.000 2.244 270 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.274 270 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.274 270 G C 0.732 175.590 174.900 -0.070 0.000 1.002 270 G CA 0.356 45.412 45.100 -0.074 0.000 0.740 270 G HN 0.606 nan 8.290 nan 0.000 0.516 271 L N -0.077 121.093 121.223 -0.089 0.000 2.362 271 L HA 0.020 4.359 4.340 -0.001 0.000 0.219 271 L C 2.877 179.703 176.870 -0.074 0.000 1.134 271 L CA 1.403 56.194 54.840 -0.080 0.000 0.807 271 L CB -0.399 41.601 42.059 -0.098 0.000 0.927 271 L HN 0.637 nan 8.230 nan 0.000 0.447 272 L N -2.552 118.624 121.223 -0.079 0.000 2.465 272 L HA 0.013 4.352 4.340 -0.001 0.000 0.224 272 L C 1.844 178.691 176.870 -0.039 0.000 1.145 272 L CA 1.081 55.882 54.840 -0.065 0.000 0.834 272 L CB -0.417 41.597 42.059 -0.074 0.000 0.944 272 L HN 0.215 nan 8.230 nan 0.000 0.451 273 S N -1.675 114.004 115.700 -0.034 0.000 2.663 273 S HA 0.345 4.815 4.470 -0.001 0.000 0.243 273 S C 1.043 175.632 174.600 -0.019 0.000 1.009 273 S CA -0.664 57.524 58.200 -0.020 0.000 0.988 273 S CB 0.118 63.306 63.200 -0.019 0.000 0.896 273 S HN 0.245 nan 8.310 nan 0.000 0.502 274 I N 1.820 122.375 120.570 -0.025 0.000 5.197 274 I HA 0.504 4.673 4.170 -0.001 0.000 0.229 274 I C 1.421 177.530 176.117 -0.014 0.000 0.946 274 I CA 0.978 62.266 61.300 -0.020 0.000 1.629 274 I CB -1.788 36.198 38.000 -0.024 0.000 1.444 274 I HN 0.502 nan 8.210 nan 0.000 0.457 275 G N 0.033 108.822 108.800 -0.020 0.000 2.764 275 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.686 275 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.686 275 G C 0.499 175.397 174.900 -0.004 0.000 1.258 275 G CA -0.065 45.026 45.100 -0.016 0.000 0.846 275 G HN 0.822 nan 8.290 nan 0.000 0.596 276 G N -0.143 108.658 108.800 0.002 0.000 2.699 276 G HA2 0.471 4.430 3.960 -0.001 0.000 0.214 276 G HA3 0.471 4.430 3.960 -0.001 0.000 0.214 276 G C 0.881 175.769 174.900 -0.019 0.000 1.350 276 G CA 1.899 46.995 45.100 -0.007 0.000 0.873 276 G HN 1.814 nan 8.290 nan 0.000 0.570 277 T N -0.541 114.004 114.554 -0.014 0.000 2.886 277 T HA 0.413 4.763 4.350 -0.001 0.000 0.292 277 T C 1.164 175.858 174.700 -0.009 0.000 1.012 277 T CA -0.296 61.787 62.100 -0.029 0.000 0.982 277 T CB 1.469 70.308 68.868 -0.049 0.000 1.018 277 T HN 0.420 nan 8.240 nan 0.000 0.451 278 I N 3.096 123.658 120.570 -0.014 0.000 3.059 278 I HA 0.299 4.469 4.170 -0.001 0.000 0.270 278 I C 1.735 177.898 176.117 0.077 0.000 1.238 278 I CA 0.661 61.977 61.300 0.025 0.000 1.478 278 I CB -0.128 37.882 38.000 0.016 0.000 1.097 278 I HN 0.544 nan 8.210 nan 0.000 0.455 279 I N 1.709 122.268 120.570 -0.017 0.000 2.617 279 I HA 0.155 4.325 4.170 -0.001 0.000 0.256 279 I C 1.259 177.398 176.117 0.037 0.000 1.167 279 I CA 0.995 62.218 61.300 -0.129 0.000 1.469 279 I CB -0.528 37.299 38.000 -0.287 0.000 1.098 279 I HN 0.553 nan 8.210 nan 0.000 0.436 280 G N 0.895 109.709 108.800 0.024 0.000 2.716 280 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.686 280 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.686 280 G C -0.277 174.613 174.900 -0.016 0.000 1.337 280 G CA -0.204 44.916 45.100 0.033 0.000 0.829 280 G HN 0.203 nan 8.290 nan 0.000 0.599 281 T N -0.502 114.044 114.554 -0.012 0.000 2.942 281 T HA 1.032 5.382 4.350 -0.001 0.000 0.289 281 T C 0.171 174.862 174.700 -0.016 0.000 1.044 281 T CA 0.803 62.882 62.100 -0.035 0.000 1.023 281 T CB 1.540 70.388 68.868 -0.034 0.000 1.123 281 T HN 2.466 nan 8.240 nan 0.000 0.512 282 A N 0.945 123.750 122.820 -0.025 0.000 2.589 282 A HA 0.820 5.139 4.320 -0.001 0.000 0.296 282 A C -0.135 177.462 177.584 0.021 0.000 1.062 282 A CA -0.508 51.531 52.037 0.004 0.000 0.686 282 A CB 0.856 19.861 19.000 0.009 0.000 1.282 282 A HN 1.314 nan 8.150 nan 0.000 0.404 283 R N -0.119 120.406 120.500 0.042 0.000 2.543 283 R HA 0.456 4.796 4.340 -0.001 0.000 0.277 283 R C 0.171 176.526 176.300 0.092 0.000 1.074 283 R CA 0.320 56.456 56.100 0.061 0.000 1.076 283 R CB -0.986 29.346 30.300 0.054 0.000 0.993 283 R HN 1.363 nan 8.270 nan 0.000 0.459 284 C N 2.298 121.668 119.300 0.117 0.000 2.667 284 C HA 0.540 5.000 4.460 -0.001 0.000 0.392 284 C C 1.731 176.785 174.990 0.107 0.000 1.332 284 C CA 0.264 59.370 59.018 0.146 0.000 1.594 284 C CB -1.167 26.660 27.740 0.144 0.000 2.345 284 C HN 1.051 nan 8.230 nan 0.000 0.594 285 K N 1.924 122.390 120.400 0.110 0.000 2.735 285 K HA 0.161 4.481 4.320 -0.001 0.000 0.197 285 K C 1.419 178.064 176.600 0.075 0.000 1.468 285 K CA 0.149 56.483 56.287 0.079 0.000 1.109 285 K CB -0.347 32.192 32.500 0.065 0.000 1.732 285 K HN 0.603 nan 8.250 nan 0.000 0.541 286 E N -0.438 119.819 120.200 0.095 0.000 2.299 286 E HA 0.209 4.559 4.350 -0.001 0.000 0.193 286 E C 1.242 177.895 176.600 0.090 0.000 0.998 286 E CA 0.447 56.896 56.400 0.081 0.000 0.851 286 E CB 0.006 29.758 29.700 0.086 0.000 0.795 286 E HN 0.466 nan 8.360 nan 0.000 0.492 287 F N 1.213 121.122 119.950 -0.069 0.000 2.811 287 F HA 0.085 4.611 4.527 -0.001 0.000 0.301 287 F C 1.631 177.344 175.800 -0.146 0.000 1.151 287 F CA 0.359 58.258 58.000 -0.169 0.000 1.412 287 F CB 0.249 39.022 39.000 -0.378 0.000 1.113 287 F HN -0.176 nan 8.300 nan 0.000 0.579 288 R N -0.173 120.322 120.500 -0.008 0.000 2.246 288 R HA 0.079 4.418 4.340 -0.001 0.000 0.199 288 R C 0.156 176.414 176.300 -0.070 0.000 0.984 288 R CA 0.379 56.459 56.100 -0.034 0.000 1.015 288 R CB 0.071 30.377 30.300 0.010 0.000 0.930 288 R HN 0.238 nan 8.270 nan 0.000 0.475 289 E N 0.040 120.193 120.200 -0.077 0.000 2.179 289 E HA 0.205 4.554 4.350 -0.001 0.000 0.275 289 E C 0.875 177.407 176.600 -0.113 0.000 0.945 289 E CA -0.131 56.225 56.400 -0.072 0.000 0.792 289 E CB 1.553 31.232 29.700 -0.036 0.000 1.125 289 E HN 0.130 nan 8.360 nan 0.000 0.397 290 R N 1.724 122.168 120.500 -0.092 0.000 2.091 290 R HA -0.214 4.126 4.340 -0.001 0.000 0.238 290 R C 2.212 178.470 176.300 -0.070 0.000 1.136 290 R CA 2.531 58.577 56.100 -0.091 0.000 0.959 290 R CB -1.997 28.266 30.300 -0.063 0.000 0.856 290 R HN 0.795 nan 8.270 nan 0.000 0.437 291 W N 0.464 121.735 121.300 -0.049 0.000 2.465 291 W HA 0.271 4.931 4.660 -0.001 0.000 0.268 291 W C 2.557 179.067 176.519 -0.015 0.000 1.242 291 W CA 0.829 58.156 57.345 -0.030 0.000 1.248 291 W CB -0.929 28.516 29.460 -0.024 0.000 1.118 291 W HN 0.618 nan 8.180 nan 0.000 0.587 292 G N -0.293 108.489 108.800 -0.029 0.000 2.396 292 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.214 292 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.214 292 G C 1.748 176.645 174.900 -0.006 0.000 1.166 292 G CA 0.973 46.074 45.100 0.002 0.000 0.793 292 G HN 0.470 nan 8.290 nan 0.000 0.533 293 R N -0.376 120.031 120.500 -0.156 0.000 2.115 293 R HA 0.184 4.524 4.340 -0.001 0.000 0.226 293 R C 2.480 178.882 176.300 0.170 0.000 1.100 293 R CA 0.450 56.445 56.100 -0.175 0.000 0.980 293 R CB -0.413 29.690 30.300 -0.328 0.000 0.875 293 R HN 0.307 nan 8.270 nan 0.000 0.445 294 L N 1.081 122.347 121.223 0.071 0.000 2.017 294 L HA -0.279 4.061 4.340 -0.001 0.000 0.208 294 L C 3.019 179.965 176.870 0.126 0.000 1.073 294 L CA 2.077 56.956 54.840 0.065 0.000 0.745 294 L CB -0.537 41.523 42.059 0.002 0.000 0.894 294 L HN 0.285 nan 8.230 nan 0.000 0.432 295 Q N -0.658 119.215 119.800 0.121 0.000 2.084 295 Q HA -0.173 4.166 4.340 -0.001 0.000 0.202 295 Q C 2.212 178.359 176.000 0.244 0.000 0.978 295 Q CA 1.815 57.713 55.803 0.159 0.000 0.844 295 Q CB -1.179 27.624 28.738 0.107 0.000 0.898 295 Q HN 0.724 nan 8.270 nan 0.000 0.426 296 A N -0.104 122.876 122.820 0.267 0.000 1.933 296 A HA -0.137 4.183 4.320 -0.001 0.000 0.218 296 A C 2.632 180.495 177.584 0.466 0.000 1.175 296 A CA 1.655 53.884 52.037 0.320 0.000 0.628 296 A CB -1.279 17.914 19.000 0.322 0.000 0.814 296 A HN 0.965 nan 8.150 nan 0.000 0.444 297 C N -1.900 117.726 119.300 0.544 0.000 2.462 297 C HA -0.104 4.356 4.460 -0.001 0.000 0.278 297 C C 2.424 177.529 174.990 0.192 0.000 1.253 297 C CA 1.263 60.528 59.018 0.410 0.000 1.713 297 C CB -1.394 26.327 27.740 -0.032 0.000 2.049 297 C HN 0.699 nan 8.230 nan 0.000 0.477 298 Y N 2.988 123.319 120.300 0.052 0.000 2.069 298 Y HA -0.219 4.331 4.550 -0.001 0.000 0.278 298 Y C 2.271 178.194 175.900 0.038 0.000 1.175 298 Y CA 2.601 60.710 58.100 0.015 0.000 1.134 298 Y CB -0.820 37.648 38.460 0.014 0.000 0.965 298 Y HN 0.404 nan 8.280 nan 0.000 0.498 299 N N 0.040 118.777 118.700 0.062 0.000 2.137 299 N HA -0.240 4.500 4.740 -0.001 0.000 0.190 299 N C 1.913 177.377 175.510 -0.076 0.000 1.017 299 N CA 2.121 55.156 53.050 -0.025 0.000 0.859 299 N CB -0.536 38.013 38.487 0.104 0.000 1.002 299 N HN 0.501 nan 8.380 nan 0.000 0.428 300 M N 0.072 119.698 119.600 0.043 0.000 2.077 300 M HA -0.105 4.374 4.480 -0.001 0.000 0.261 300 M C 2.083 178.288 176.300 -0.158 0.000 1.070 300 M CA 1.155 56.480 55.300 0.041 0.000 1.125 300 M CB -0.252 32.530 32.600 0.303 0.000 1.339 300 M HN -0.081 nan 8.290 nan 0.000 0.409 301 V N -0.219 119.584 119.914 -0.185 0.000 2.255 301 V HA -0.260 3.859 4.120 -0.001 0.000 0.247 301 V C 2.317 178.152 176.094 -0.430 0.000 1.051 301 V CA 2.221 64.275 62.300 -0.409 0.000 1.018 301 V CB -1.184 30.524 31.823 -0.191 0.000 0.641 301 V HN 0.435 nan 8.190 nan 0.000 0.445 302 S N 1.034 116.463 115.700 -0.451 0.000 2.359 302 S HA -0.214 4.256 4.470 -0.001 0.000 0.224 302 S C 1.613 176.054 174.600 -0.264 0.000 1.035 302 S CA 1.986 59.933 58.200 -0.421 0.000 1.018 302 S CB -0.567 62.238 63.200 -0.658 0.000 0.876 302 S HN 0.683 nan 8.310 nan 0.000 0.448 303 N N 0.720 119.266 118.700 -0.257 0.000 2.449 303 N HA 0.263 5.003 4.740 -0.001 0.000 0.191 303 N C 0.960 176.316 175.510 -0.257 0.000 1.161 303 N CA 0.564 53.475 53.050 -0.230 0.000 0.863 303 N CB -0.002 38.350 38.487 -0.225 0.000 0.980 303 N HN 0.467 nan 8.380 nan 0.000 0.458 304 G N 0.449 109.092 108.800 -0.261 0.000 2.225 304 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.267 304 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.267 304 G C -0.192 174.627 174.900 -0.136 0.000 1.024 304 G CA -0.239 44.751 45.100 -0.183 0.000 0.784 304 G HN 0.213 nan 8.290 nan 0.000 0.507 305 I N 1.370 121.809 120.570 -0.218 0.000 2.436 305 I HA 0.213 4.383 4.170 -0.001 0.000 0.289 305 I C 0.921 177.035 176.117 -0.004 0.000 1.083 305 I CA 0.016 61.255 61.300 -0.102 0.000 1.372 305 I CB 0.827 38.774 38.000 -0.087 0.000 1.408 305 I HN 0.293 nan 8.210 nan 0.000 0.516 306 D N 3.658 124.107 120.400 0.082 0.000 2.392 306 D HA 0.342 4.981 4.640 -0.001 0.000 0.206 306 D C 0.449 176.749 176.300 0.001 0.000 1.046 306 D CA -0.011 54.070 54.000 0.134 0.000 0.865 306 D CB 0.541 41.428 40.800 0.144 0.000 0.969 306 D HN 0.485 nan 8.370 nan 0.000 0.509 307 A N 0.166 122.978 122.820 -0.014 0.000 2.486 307 A HA 0.678 4.997 4.320 -0.001 0.000 0.300 307 A C -1.923 175.642 177.584 -0.032 0.000 1.048 307 A CA -0.784 51.225 52.037 -0.046 0.000 0.696 307 A CB 1.642 20.626 19.000 -0.026 0.000 1.278 307 A HN 0.122 nan 8.150 nan 0.000 0.405 308 L N 2.069 123.265 121.223 -0.045 0.000 2.385 308 L HA 0.765 5.105 4.340 -0.001 0.000 0.273 308 L C -1.340 175.511 176.870 -0.032 0.000 0.990 308 L CA -0.400 54.429 54.840 -0.019 0.000 0.821 308 L CB 2.201 44.280 42.059 0.033 0.000 1.279 308 L HN 0.460 nan 8.230 nan 0.000 0.412 309 V N 5.647 125.532 119.914 -0.049 0.000 2.376 309 V HA 0.470 4.590 4.120 -0.001 0.000 0.287 309 V C -0.549 175.487 176.094 -0.096 0.000 1.015 309 V CA -0.693 61.570 62.300 -0.063 0.000 0.834 309 V CB 1.732 33.517 31.823 -0.064 0.000 1.001 309 V HN 0.486 nan 8.190 nan 0.000 0.428 310 V N 4.385 124.247 119.914 -0.087 0.000 2.333 310 V HA 0.264 4.383 4.120 -0.001 0.000 0.274 310 V C 0.129 176.154 176.094 -0.114 0.000 1.028 310 V CA -0.393 61.830 62.300 -0.130 0.000 0.851 310 V CB 1.380 33.162 31.823 -0.069 0.000 1.000 310 V HN 0.998 nan 8.190 nan 0.000 0.456 311 C N 5.820 125.034 119.300 -0.144 0.000 2.225 311 C HA 0.898 5.358 4.460 -0.001 0.000 0.323 311 C C 0.670 175.589 174.990 -0.117 0.000 1.164 311 C CA 0.325 59.273 59.018 -0.117 0.000 1.565 311 C CB -1.206 26.464 27.740 -0.117 0.000 2.124 311 C HN 1.080 nan 8.230 nan 0.000 0.461 312 G N 3.516 112.265 108.800 -0.085 0.000 2.682 312 G HA2 0.680 4.639 3.960 -0.001 0.000 0.303 312 G HA3 0.680 4.639 3.960 -0.001 0.000 0.303 312 G C -0.222 174.656 174.900 -0.037 0.000 1.341 312 G CA 0.079 45.139 45.100 -0.066 0.000 0.784 312 G HN 1.008 nan 8.290 nan 0.000 0.497 313 G N -1.062 107.727 108.800 -0.019 0.000 2.510 313 G HA2 0.408 4.367 3.960 -0.001 0.000 0.280 313 G HA3 0.408 4.367 3.960 -0.001 0.000 0.280 313 G C 0.468 175.363 174.900 -0.008 0.000 1.386 313 G CA 0.610 45.704 45.100 -0.010 0.000 1.047 313 G HN 0.498 nan 8.290 nan 0.000 0.527 314 D N -0.394 119.992 120.400 -0.024 0.000 2.126 314 D HA -0.116 4.523 4.640 -0.001 0.000 0.190 314 D C 2.469 178.753 176.300 -0.026 0.000 1.001 314 D CA 1.920 55.891 54.000 -0.049 0.000 0.841 314 D CB -0.289 40.439 40.800 -0.120 0.000 0.949 314 D HN 0.424 nan 8.370 nan 0.000 0.446 315 G N -0.114 108.677 108.800 -0.015 0.000 2.418 315 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.217 315 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.217 315 G C 1.740 176.688 174.900 0.080 0.000 1.158 315 G CA 0.963 46.077 45.100 0.023 0.000 0.771 315 G HN 0.234 nan 8.290 nan 0.000 0.545 316 S N 0.389 116.147 115.700 0.096 0.000 2.383 316 S HA 0.038 4.508 4.470 -0.001 0.000 0.227 316 S C 2.231 176.939 174.600 0.179 0.000 1.026 316 S CA 0.687 58.996 58.200 0.182 0.000 0.981 316 S CB -0.151 63.092 63.200 0.073 0.000 0.818 316 S HN 0.309 nan 8.310 nan 0.000 0.472 317 L N 0.810 122.087 121.223 0.091 0.000 2.240 317 L HA -0.010 4.330 4.340 -0.001 0.000 0.211 317 L C 2.477 179.397 176.870 0.083 0.000 1.106 317 L CA 0.866 55.753 54.840 0.078 0.000 0.793 317 L CB -0.940 41.138 42.059 0.031 0.000 0.927 317 L HN 0.252 nan 8.230 nan 0.000 0.446 318 T N -0.095 114.498 114.554 0.065 0.000 2.821 318 T HA -0.106 4.243 4.350 -0.001 0.000 0.267 318 T C 1.889 176.642 174.700 0.089 0.000 1.046 318 T CA 1.375 63.508 62.100 0.054 0.000 1.139 318 T CB -0.379 68.503 68.868 0.024 0.000 0.871 318 T HN 0.544 nan 8.240 nan 0.000 0.454 319 G N 1.075 109.948 108.800 0.122 0.000 2.404 319 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.215 319 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.215 319 G C 1.847 176.916 174.900 0.282 0.000 1.174 319 G CA 0.806 46.006 45.100 0.167 0.000 0.780 319 G HN 0.557 nan 8.290 nan 0.000 0.537 320 A N 1.082 124.065 122.820 0.272 0.000 1.902 320 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 320 A C 2.027 179.768 177.584 0.262 0.000 1.181 320 A CA 2.264 54.489 52.037 0.313 0.000 0.623 320 A CB -0.641 18.495 19.000 0.227 0.000 0.818 320 A HN 0.449 nan 8.150 nan 0.000 0.443 321 D N -0.814 119.686 120.400 0.166 0.000 2.117 321 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 321 D C 1.746 178.117 176.300 0.118 0.000 0.987 321 D CA 1.279 55.346 54.000 0.112 0.000 0.829 321 D CB -0.160 40.681 40.800 0.069 0.000 0.961 321 D HN 0.291 nan 8.370 nan 0.000 0.460 322 L N -0.749 120.552 121.223 0.130 0.000 2.156 322 L HA 0.062 4.402 4.340 -0.001 0.000 0.208 322 L C 1.986 178.947 176.870 0.151 0.000 1.095 322 L CA 1.004 55.902 54.840 0.097 0.000 0.770 322 L CB -0.411 41.675 42.059 0.045 0.000 0.914 322 L HN 0.163 nan 8.230 nan 0.000 0.439 323 F N 0.408 120.396 119.950 0.063 0.000 2.186 323 F HA -0.248 4.278 4.527 -0.001 0.000 0.299 323 F C 2.514 178.422 175.800 0.181 0.000 1.090 323 F CA 1.329 59.403 58.000 0.123 0.000 1.307 323 F CB 0.025 39.216 39.000 0.317 0.000 1.019 323 F HN 0.108 nan 8.300 nan 0.000 0.489 324 R N 1.170 121.763 120.500 0.156 0.000 2.090 324 R HA 0.003 4.343 4.340 -0.001 0.000 0.228 324 R C 2.122 178.447 176.300 0.041 0.000 1.110 324 R CA 1.613 57.726 56.100 0.022 0.000 0.973 324 R CB -1.329 28.971 30.300 -0.001 0.000 0.869 324 R HN 0.157 nan 8.270 nan 0.000 0.440 325 K N 1.723 122.155 120.400 0.054 0.000 2.057 325 K HA -0.078 4.241 4.320 -0.001 0.000 0.206 325 K C 1.876 178.498 176.600 0.037 0.000 1.050 325 K CA 1.801 58.112 56.287 0.040 0.000 0.935 325 K CB -0.758 31.762 32.500 0.034 0.000 0.715 325 K HN 0.667 nan 8.250 nan 0.000 0.439 326 E N -1.286 118.934 120.200 0.032 0.000 2.489 326 E HA -0.013 4.336 4.350 -0.001 0.000 0.193 326 E C 1.644 178.232 176.600 -0.020 0.000 1.057 326 E CA -0.328 56.073 56.400 0.003 0.000 0.866 326 E CB 0.022 29.718 29.700 -0.007 0.000 0.916 326 E HN 0.688 nan 8.360 nan 0.000 0.500 327 W N 2.189 123.353 121.300 -0.228 0.000 2.355 327 W HA -0.051 4.608 4.660 -0.001 0.000 0.309 327 W C -1.245 175.186 176.519 -0.147 0.000 1.206 327 W CA 0.863 58.037 57.345 -0.284 0.000 1.284 327 W CB -1.001 28.233 29.460 -0.376 0.000 1.145 327 W HN 0.031 nan 8.180 nan 0.000 0.502 328 P HA -0.144 nan 4.420 nan 0.000 0.227 328 P C -0.663 176.620 177.300 -0.029 0.000 1.145 328 P CA 1.486 64.609 63.100 0.038 0.000 0.769 328 P CB -0.333 31.404 31.700 0.062 0.000 0.769 329 E N 0.127 120.276 120.200 -0.084 0.000 1.993 329 E HA 0.280 4.630 4.350 -0.001 0.000 0.271 329 E C -0.465 176.042 176.600 -0.155 0.000 1.008 329 E CA -0.009 56.340 56.400 -0.084 0.000 0.814 329 E CB -0.003 29.659 29.700 -0.064 0.000 1.098 329 E HN 0.173 nan 8.360 nan 0.000 0.407 330 L N 4.730 125.897 121.223 -0.094 0.000 2.345 330 L HA 0.486 4.826 4.340 -0.001 0.000 0.274 330 L C -0.310 176.546 176.870 -0.024 0.000 0.999 330 L CA -0.679 54.112 54.840 -0.082 0.000 0.849 330 L CB 0.797 42.856 42.059 0.000 0.000 1.220 330 L HN 0.381 nan 8.230 nan 0.000 0.422 331 I N 3.189 123.730 120.570 -0.048 0.000 2.575 331 I HA 0.227 4.396 4.170 -0.001 0.000 0.285 331 I C 0.171 176.269 176.117 -0.031 0.000 1.085 331 I CA -0.169 61.105 61.300 -0.044 0.000 1.403 331 I CB 0.774 38.745 38.000 -0.049 0.000 1.409 331 I HN 0.527 nan 8.210 nan 0.000 0.557 332 K N 5.792 126.165 120.400 -0.046 0.000 2.378 332 K HA 0.367 4.686 4.320 -0.001 0.000 0.252 332 K C -0.672 175.906 176.600 -0.036 0.000 0.931 332 K CA -0.834 55.430 56.287 -0.039 0.000 0.794 332 K CB 2.306 34.760 32.500 -0.077 0.000 1.181 332 K HN 0.552 nan 8.250 nan 0.000 0.425 343 E N 1.425 121.675 120.200 0.083 0.000 2.273 343 E HA -0.244 4.106 4.350 -0.001 0.000 0.198 343 E C 1.103 177.757 176.600 0.090 0.000 1.002 343 E CA 1.914 58.359 56.400 0.076 0.000 0.828 343 E CB 0.112 29.839 29.700 0.045 0.000 0.747 343 E HN 0.585 nan 8.360 nan 0.000 0.491 344 Q N -0.737 119.139 119.800 0.128 0.000 2.112 344 Q HA -0.249 4.090 4.340 -0.001 0.000 0.206 344 Q C 1.818 177.945 176.000 0.212 0.000 0.987 344 Q CA 2.029 57.954 55.803 0.204 0.000 0.858 344 Q CB -0.371 28.473 28.738 0.178 0.000 0.905 344 Q HN 0.467 nan 8.270 nan 0.000 0.420 345 Y N 1.315 121.659 120.300 0.073 0.000 2.114 345 Y HA -0.281 4.268 4.550 -0.001 0.000 0.284 345 Y C 2.087 178.012 175.900 0.041 0.000 1.143 345 Y CA 1.899 60.028 58.100 0.049 0.000 1.135 345 Y CB 0.056 38.525 38.460 0.015 0.000 0.980 345 Y HN 0.006 nan 8.280 nan 0.000 0.499 346 E N -0.548 119.708 120.200 0.092 0.000 2.106 346 E HA -0.117 4.233 4.350 -0.001 0.000 0.192 346 E C 2.170 178.705 176.600 -0.107 0.000 0.984 346 E CA 1.795 58.191 56.400 -0.007 0.000 0.806 346 E CB -0.370 29.376 29.700 0.077 0.000 0.750 346 E HN 0.517 nan 8.360 nan 0.000 0.458 347 T N -0.483 113.989 114.554 -0.137 0.000 2.612 347 T HA -0.127 4.223 4.350 -0.001 0.000 0.259 347 T C 0.560 175.033 174.700 -0.379 0.000 1.065 347 T CA 1.628 63.541 62.100 -0.312 0.000 1.167 347 T CB -0.435 68.174 68.868 -0.433 0.000 0.863 347 T HN 0.314 nan 8.240 nan 0.000 0.407 348 H N 0.575 119.644 119.070 -0.001 0.000 2.713 348 H HA 0.384 4.939 4.556 -0.001 0.000 0.294 348 H C 1.577 176.965 175.328 0.099 0.000 1.366 348 H CA -0.238 55.860 56.048 0.083 0.000 1.139 348 H CB 0.066 29.924 29.762 0.161 0.000 1.487 348 H HN 0.083 nan 8.280 nan 0.000 0.504 349 R N 0.743 121.227 120.500 -0.026 0.000 2.127 349 R HA 0.056 4.395 4.340 -0.001 0.000 0.217 349 R C -0.368 176.004 176.300 0.122 0.000 1.074 349 R CA 0.489 56.493 56.100 -0.160 0.000 0.991 349 R CB 0.427 30.517 30.300 -0.351 0.000 0.895 349 R HN 0.366 nan 8.270 nan 0.000 0.450 350 N N 1.712 120.457 118.700 0.075 0.000 2.511 350 N HA 0.084 4.823 4.740 -0.001 0.000 0.249 350 N C -1.130 174.283 175.510 -0.162 0.000 0.971 350 N CA -0.400 52.648 53.050 -0.004 0.000 0.938 350 N CB 2.066 40.528 38.487 -0.042 0.000 1.131 350 N HN -0.012 nan 8.380 nan 0.000 0.505 351 L N 2.346 123.274 121.223 -0.493 0.000 2.455 351 L HA 0.147 4.487 4.340 -0.001 0.000 0.272 351 L C 0.051 176.661 176.870 -0.432 0.000 1.174 351 L CA 0.657 54.969 54.840 -0.881 0.000 0.869 351 L CB 0.361 41.476 42.059 -1.572 0.000 1.130 351 L HN 0.392 nan 8.230 nan 0.000 0.474 352 T N 7.441 121.796 114.554 -0.331 0.000 2.801 352 T HA 0.467 4.817 4.350 -0.001 0.000 0.306 352 T C -0.304 174.294 174.700 -0.170 0.000 1.020 352 T CA -0.018 61.968 62.100 -0.190 0.000 0.948 352 T CB 0.016 68.809 68.868 -0.125 0.000 0.962 352 T HN 0.534 nan 8.240 nan 0.000 0.465 353 I N 4.013 124.502 120.570 -0.134 0.000 2.466 353 I HA 0.637 4.806 4.170 -0.001 0.000 0.289 353 I C -1.214 174.875 176.117 -0.046 0.000 1.026 353 I CA -0.809 60.447 61.300 -0.074 0.000 1.078 353 I CB 1.152 39.130 38.000 -0.038 0.000 1.249 353 I HN 0.277 nan 8.210 nan 0.000 0.429 354 V N 6.169 126.061 119.914 -0.037 0.000 2.680 354 V HA 0.743 4.863 4.120 -0.001 0.000 0.309 354 V C 0.305 176.381 176.094 -0.030 0.000 1.052 354 V CA -0.514 61.764 62.300 -0.036 0.000 0.908 354 V CB 1.807 33.602 31.823 -0.047 0.000 1.001 354 V HN 0.842 nan 8.190 nan 0.000 0.431 355 G N 3.713 112.497 108.800 -0.027 0.000 2.470 355 G HA2 0.719 4.679 3.960 -0.001 0.000 0.320 355 G HA3 0.719 4.679 3.960 -0.001 0.000 0.320 355 G C -1.290 173.584 174.900 -0.043 0.000 1.245 355 G CA -0.522 44.562 45.100 -0.028 0.000 0.935 355 G HN 0.559 nan 8.290 nan 0.000 0.476 356 L N 1.726 122.915 121.223 -0.056 0.000 2.329 356 L HA 0.425 4.764 4.340 -0.001 0.000 0.279 356 L C -0.188 176.645 176.870 -0.062 0.000 1.014 356 L CA -1.183 53.617 54.840 -0.068 0.000 0.814 356 L CB 2.467 44.475 42.059 -0.085 0.000 1.257 356 L HN 0.233 nan 8.230 nan 0.000 0.424 357 V N 1.784 121.662 119.914 -0.060 0.000 2.322 357 V HA 0.310 4.430 4.120 -0.001 0.000 0.258 357 V C 0.805 176.864 176.094 -0.059 0.000 1.074 357 V CA -0.478 61.789 62.300 -0.055 0.000 0.909 357 V CB 0.557 32.350 31.823 -0.050 0.000 1.090 357 V HN 0.884 nan 8.190 nan 0.000 0.486 358 G N 3.238 112.003 108.800 -0.058 0.000 2.696 358 G HA2 0.499 4.459 3.960 -0.001 0.000 0.329 358 G HA3 0.499 4.459 3.960 -0.001 0.000 0.329 358 G C -0.022 174.854 174.900 -0.040 0.000 0.973 358 G CA -0.056 45.011 45.100 -0.054 0.000 1.257 358 G HN 0.831 nan 8.290 nan 0.000 0.456 359 S N 2.322 118.001 115.700 -0.037 0.000 2.603 359 S HA 0.255 4.724 4.470 -0.001 0.000 0.274 359 S C 0.972 175.556 174.600 -0.026 0.000 1.168 359 S CA -0.679 57.506 58.200 -0.026 0.000 0.963 359 S CB 1.019 64.202 63.200 -0.028 0.000 1.078 359 S HN 0.826 nan 8.310 nan 0.000 0.477 360 I N 0.573 121.142 120.570 -0.001 0.000 2.546 360 I HA 0.102 4.271 4.170 -0.001 0.000 0.255 360 I C 1.804 177.942 176.117 0.034 0.000 1.163 360 I CA 1.013 62.324 61.300 0.018 0.000 1.457 360 I CB -0.282 37.734 38.000 0.026 0.000 1.092 360 I HN 0.608 nan 8.210 nan 0.000 0.434 361 D N 2.198 122.618 120.400 0.033 0.000 2.126 361 D HA -0.323 4.317 4.640 -0.001 0.000 0.190 361 D C 1.179 177.496 176.300 0.029 0.000 1.001 361 D CA 1.983 56.020 54.000 0.062 0.000 0.841 361 D CB -0.256 40.585 40.800 0.069 0.000 0.949 361 D HN 0.552 nan 8.370 nan 0.000 0.446 362 N N -0.133 118.497 118.700 -0.118 0.000 2.776 362 N HA -0.205 4.534 4.740 -0.001 0.000 0.249 362 N C 0.091 175.508 175.510 -0.156 0.000 1.111 362 N CA 1.053 53.918 53.050 -0.308 0.000 0.711 362 N CB -1.411 36.530 38.487 -0.909 0.000 1.065 362 N HN 0.261 nan 8.380 nan 0.000 0.556 363 D N -0.413 119.956 120.400 -0.053 0.000 2.137 363 D HA 0.009 4.649 4.640 -0.001 0.000 0.202 363 D C 0.911 177.180 176.300 -0.053 0.000 0.970 363 D CA 0.548 54.536 54.000 -0.019 0.000 0.837 363 D CB 0.029 40.848 40.800 0.033 0.000 0.981 363 D HN 0.452 nan 8.370 nan 0.000 0.475 364 M N 1.070 120.634 119.600 -0.061 0.000 2.255 364 M HA -0.015 4.465 4.480 -0.001 0.000 0.356 364 M C -0.577 175.691 176.300 -0.054 0.000 1.338 364 M CA 0.004 55.271 55.300 -0.056 0.000 0.962 364 M CB 0.016 32.585 32.600 -0.052 0.000 1.877 364 M HN 0.092 nan 8.290 nan 0.000 0.463 365 C N 4.016 123.291 119.300 -0.042 0.000 2.604 365 C HA 0.617 5.077 4.460 -0.001 0.000 0.396 365 C C 1.627 176.604 174.990 -0.021 0.000 1.282 365 C CA 0.489 59.488 59.018 -0.033 0.000 2.292 365 C CB 0.062 27.784 27.740 -0.030 0.000 2.633 365 C HN 1.103 nan 8.230 nan 0.000 0.620 366 G N 1.765 110.560 108.800 -0.009 0.000 2.253 366 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.251 366 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.251 366 G C 0.225 175.129 174.900 0.007 0.000 0.998 366 G CA 0.579 45.680 45.100 0.001 0.000 0.621 366 G HN 0.910 nan 8.290 nan 0.000 0.524 367 T N -0.104 114.449 114.554 -0.002 0.000 2.829 367 T HA 0.548 4.897 4.350 -0.001 0.000 0.280 367 T C 0.784 175.489 174.700 0.009 0.000 0.999 367 T CA 0.202 62.306 62.100 0.007 0.000 0.983 367 T CB 1.323 70.187 68.868 -0.007 0.000 0.968 367 T HN -0.018 nan 8.240 nan 0.000 0.446 368 D N 1.973 122.402 120.400 0.048 0.000 2.224 368 D HA 0.074 4.714 4.640 -0.001 0.000 0.205 368 D C 0.526 176.839 176.300 0.021 0.000 0.965 368 D CA 0.960 54.999 54.000 0.065 0.000 0.852 368 D CB 0.241 41.108 40.800 0.111 0.000 0.947 368 D HN 0.618 nan 8.370 nan 0.000 0.494 369 S N -1.624 114.099 115.700 0.038 0.000 2.533 369 S HA 0.529 4.999 4.470 -0.001 0.000 0.271 369 S C -0.401 174.203 174.600 0.005 0.000 1.143 369 S CA -1.031 57.162 58.200 -0.012 0.000 0.891 369 S CB 1.917 65.302 63.200 0.307 0.000 1.105 369 S HN 0.032 nan 8.310 nan 0.000 0.468 370 T N -0.502 113.993 114.554 -0.099 0.000 2.929 370 T HA 0.685 5.035 4.350 -0.001 0.000 0.284 370 T C 0.176 174.864 174.700 -0.019 0.000 1.014 370 T CA -1.020 61.040 62.100 -0.067 0.000 1.051 370 T CB 0.296 69.099 68.868 -0.109 0.000 1.028 370 T HN 0.665 nan 8.240 nan 0.000 0.485 371 I N 2.377 122.927 120.570 -0.033 0.000 2.581 371 I HA 0.379 4.549 4.170 -0.001 0.000 0.285 371 I C 1.594 177.706 176.117 -0.008 0.000 1.129 371 I CA 0.915 62.196 61.300 -0.031 0.000 1.397 371 I CB -0.233 37.723 38.000 -0.074 0.000 1.399 371 I HN 1.150 nan 8.210 nan 0.000 0.537 372 G N 4.163 112.986 108.800 0.038 0.000 2.307 372 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.210 372 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.210 372 G C 1.073 176.022 174.900 0.081 0.000 1.005 372 G CA 0.351 45.479 45.100 0.047 0.000 0.634 372 G HN 0.743 nan 8.290 nan 0.000 0.496 373 A N 0.146 122.996 122.820 0.050 0.000 1.873 373 A HA 0.080 4.400 4.320 -0.001 0.000 0.218 373 A C 1.994 179.683 177.584 0.175 0.000 1.193 373 A CA 2.397 54.437 52.037 0.005 0.000 0.629 373 A CB -0.714 18.052 19.000 -0.390 0.000 0.826 373 A HN 0.802 nan 8.150 nan 0.000 0.447 374 Y N 0.581 121.063 120.300 0.303 0.000 2.242 374 Y HA -0.143 4.407 4.550 -0.001 0.000 0.291 374 Y C 3.077 179.108 175.900 0.217 0.000 1.137 374 Y CA 1.519 59.825 58.100 0.343 0.000 1.181 374 Y CB -0.322 38.359 38.460 0.367 0.000 0.989 374 Y HN 0.283 nan 8.280 nan 0.000 0.527 375 S N -1.014 114.863 115.700 0.295 0.000 2.368 375 S HA -0.231 4.239 4.470 -0.001 0.000 0.225 375 S C 2.293 176.967 174.600 0.125 0.000 1.030 375 S CA 1.383 59.689 58.200 0.177 0.000 0.999 375 S CB -0.601 62.673 63.200 0.122 0.000 0.844 375 S HN 0.437 nan 8.310 nan 0.000 0.459 376 S N 1.136 116.904 115.700 0.114 0.000 2.368 376 S HA -0.080 4.390 4.470 -0.001 0.000 0.225 376 S C 1.852 176.499 174.600 0.078 0.000 1.030 376 S CA 1.041 59.288 58.200 0.077 0.000 0.999 376 S CB -0.467 62.778 63.200 0.075 0.000 0.844 376 S HN 0.360 nan 8.310 nan 0.000 0.459 377 L N 2.143 123.430 121.223 0.107 0.000 2.042 377 L HA -0.045 4.294 4.340 -0.001 0.000 0.210 377 L C 2.293 179.192 176.870 0.048 0.000 1.076 377 L CA 1.961 56.829 54.840 0.047 0.000 0.749 377 L CB -0.848 41.214 42.059 0.005 0.000 0.893 377 L HN 0.204 nan 8.230 nan 0.000 0.432 378 E N -0.185 120.070 120.200 0.092 0.000 2.077 378 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 378 E C 2.283 178.908 176.600 0.042 0.000 0.989 378 E CA 0.895 57.338 56.400 0.072 0.000 0.800 378 E CB -0.225 29.532 29.700 0.095 0.000 0.746 378 E HN 0.491 nan 8.360 nan 0.000 0.452 379 R N 0.403 120.930 120.500 0.045 0.000 2.081 379 R HA -0.076 4.264 4.340 -0.001 0.000 0.235 379 R C 2.565 178.885 176.300 0.033 0.000 1.131 379 R CA 0.732 56.854 56.100 0.037 0.000 0.960 379 R CB -0.922 29.397 30.300 0.031 0.000 0.856 379 R HN 0.278 nan 8.270 nan 0.000 0.436 380 I N 0.611 121.197 120.570 0.025 0.000 2.099 380 I HA -0.293 3.877 4.170 -0.001 0.000 0.239 380 I C 2.211 178.336 176.117 0.013 0.000 1.066 380 I CA 1.242 62.553 61.300 0.018 0.000 1.324 380 I CB -0.398 37.602 38.000 -0.000 0.000 1.037 380 I HN -0.035 nan 8.210 nan 0.000 0.401 381 I N 0.543 121.114 120.570 0.002 0.000 2.208 381 I HA -0.299 3.871 4.170 -0.001 0.000 0.245 381 I C 2.559 178.653 176.117 -0.039 0.000 1.097 381 I CA 1.547 62.842 61.300 -0.009 0.000 1.363 381 I CB -0.647 37.350 38.000 -0.006 0.000 1.051 381 I HN 0.235 nan 8.210 nan 0.000 0.413 382 E N 0.233 120.411 120.200 -0.037 0.000 2.086 382 E HA -0.240 4.110 4.350 -0.001 0.000 0.200 382 E C 2.290 178.842 176.600 -0.080 0.000 1.012 382 E CA 1.449 57.800 56.400 -0.082 0.000 0.812 382 E CB -0.198 29.502 29.700 0.000 0.000 0.743 382 E HN 0.414 nan 8.360 nan 0.000 0.453 383 L N 0.167 121.421 121.223 0.051 0.000 2.023 383 L HA -0.134 4.206 4.340 -0.001 0.000 0.205 383 L C 2.607 179.531 176.870 0.089 0.000 1.073 383 L CA 0.831 55.759 54.840 0.146 0.000 0.745 383 L CB -0.607 41.518 42.059 0.109 0.000 0.900 383 L HN 0.056 nan 8.230 nan 0.000 0.435 384 V N -0.223 119.711 119.914 0.032 0.000 2.594 384 V HA -0.251 3.869 4.120 -0.001 0.000 0.253 384 V C 1.976 178.064 176.094 -0.009 0.000 1.069 384 V CA 1.516 63.828 62.300 0.020 0.000 1.082 384 V CB -0.639 31.207 31.823 0.038 0.000 0.680 384 V HN 0.380 nan 8.190 nan 0.000 0.469 385 D N -0.773 119.586 120.400 -0.070 0.000 2.144 385 D HA -0.143 4.497 4.640 -0.001 0.000 0.199 385 D C 2.021 178.230 176.300 -0.151 0.000 0.984 385 D CA 1.283 55.195 54.000 -0.147 0.000 0.834 385 D CB -0.229 40.422 40.800 -0.248 0.000 0.955 385 D HN 0.507 nan 8.370 nan 0.000 0.465 386 Y N 0.784 121.055 120.300 -0.050 0.000 2.133 386 Y HA -0.039 4.510 4.550 -0.001 0.000 0.287 386 Y C 2.406 178.241 175.900 -0.109 0.000 1.134 386 Y CA 0.390 58.452 58.100 -0.063 0.000 1.133 386 Y CB -0.600 37.828 38.460 -0.052 0.000 0.987 386 Y HN -0.038 nan 8.280 nan 0.000 0.502 387 I N 0.080 120.651 120.570 0.001 0.000 2.145 387 I HA -0.384 3.786 4.170 -0.001 0.000 0.244 387 I C 1.810 177.787 176.117 -0.233 0.000 1.075 387 I CA 1.849 62.999 61.300 -0.249 0.000 1.332 387 I CB -0.408 37.394 38.000 -0.330 0.000 1.033 387 I HN 0.243 nan 8.210 nan 0.000 0.410 388 D N 1.105 121.449 120.400 -0.092 0.000 2.178 388 D HA -0.054 4.586 4.640 -0.001 0.000 0.202 388 D C 1.432 177.729 176.300 -0.006 0.000 0.974 388 D CA 1.045 55.037 54.000 -0.012 0.000 0.841 388 D CB -0.134 40.704 40.800 0.063 0.000 0.953 388 D HN 0.300 nan 8.370 nan 0.000 0.478 389 A N 1.093 123.906 122.820 -0.013 0.000 3.074 389 A HA 0.345 4.665 4.320 -0.001 0.000 0.251 389 A C 0.153 177.753 177.584 0.027 0.000 1.695 389 A CA -0.086 51.955 52.037 0.007 0.000 1.343 389 A CB -0.902 18.101 19.000 0.005 0.000 1.078 389 A HN 0.133 nan 8.150 nan 0.000 0.644 390 T N -2.156 112.413 114.554 0.024 0.000 2.900 390 T HA 0.687 5.037 4.350 -0.001 0.000 0.303 390 T C -0.244 174.489 174.700 0.055 0.000 1.142 390 T CA -0.158 61.964 62.100 0.037 0.000 1.007 390 T CB 1.578 70.463 68.868 0.030 0.000 1.156 390 T HN 0.865 nan 8.240 nan 0.000 0.490 391 A N 1.708 124.563 122.820 0.060 0.000 2.454 391 A HA 0.691 5.011 4.320 -0.001 0.000 0.260 391 A C 0.958 178.593 177.584 0.084 0.000 1.106 391 A CA -0.307 51.771 52.037 0.068 0.000 0.780 391 A CB -0.697 18.340 19.000 0.061 0.000 1.044 391 A HN 1.539 nan 8.150 nan 0.000 0.498 392 A N 3.291 126.166 122.820 0.092 0.000 2.587 392 A HA 0.444 4.763 4.320 -0.001 0.000 0.233 392 A C 0.778 178.422 177.584 0.100 0.000 1.049 392 A CA 0.603 52.702 52.037 0.104 0.000 0.754 392 A CB -0.231 18.820 19.000 0.085 0.000 0.977 392 A HN 1.049 nan 8.150 nan 0.000 0.509 393 S N 0.462 116.228 115.700 0.110 0.000 2.578 393 S HA 0.371 4.841 4.470 -0.001 0.000 0.301 393 S C 1.030 175.677 174.600 0.078 0.000 1.091 393 S CA -0.556 57.708 58.200 0.108 0.000 1.032 393 S CB 1.176 64.445 63.200 0.114 0.000 1.064 393 S HN 0.781 nan 8.310 nan 0.000 0.508 394 H N 1.650 120.741 119.070 0.035 0.000 2.387 394 H HA 0.004 4.560 4.556 -0.001 0.000 0.299 394 H C -0.055 175.277 175.328 0.006 0.000 1.099 394 H CA 1.260 57.321 56.048 0.021 0.000 1.315 394 H CB 0.304 30.075 29.762 0.015 0.000 1.380 394 H HN 0.456 nan 8.280 nan 0.000 0.513 395 S N 0.933 116.662 115.700 0.048 0.000 2.407 395 S HA 0.314 4.784 4.470 -0.001 0.000 0.166 395 S C -0.325 174.240 174.600 -0.059 0.000 1.445 395 S CA -0.558 57.638 58.200 -0.006 0.000 1.260 395 S CB 1.031 64.258 63.200 0.044 0.000 1.401 395 S HN 0.186 nan 8.310 nan 0.000 0.379 396 R N 1.471 121.908 120.500 -0.105 0.000 2.664 396 R HA 0.870 5.210 4.340 -0.001 0.000 0.286 396 R C -0.602 175.444 176.300 -0.424 0.000 0.967 396 R CA -0.505 55.445 56.100 -0.250 0.000 0.933 396 R CB 1.949 32.150 30.300 -0.166 0.000 1.146 396 R HN 0.437 nan 8.270 nan 0.000 0.468 397 A N 2.285 124.675 122.820 -0.716 0.000 2.515 397 A HA 0.793 5.113 4.320 -0.001 0.000 0.298 397 A C -1.570 175.424 177.584 -0.983 0.000 1.059 397 A CA -0.634 51.020 52.037 -0.638 0.000 0.698 397 A CB 1.236 20.079 19.000 -0.262 0.000 1.289 397 A HN 0.508 nan 8.150 nan 0.000 0.404 398 F N 0.669 120.655 119.950 0.060 0.000 2.561 398 F HA 0.569 5.095 4.527 -0.001 0.000 0.313 398 F C -0.236 175.608 175.800 0.074 0.000 1.126 398 F CA -0.860 57.177 58.000 0.063 0.000 0.918 398 F CB 2.374 41.412 39.000 0.064 0.000 1.199 398 F HN 0.288 nan 8.300 nan 0.000 0.444 399 V N 3.836 123.882 119.914 0.221 0.000 2.417 399 V HA 0.538 4.657 4.120 -0.001 0.000 0.291 399 V C -0.603 175.578 176.094 0.146 0.000 1.024 399 V CA -0.838 61.559 62.300 0.163 0.000 0.861 399 V CB 1.782 33.672 31.823 0.112 0.000 0.985 399 V HN 0.527 nan 8.190 nan 0.000 0.436 400 V N 3.858 123.851 119.914 0.131 0.000 2.313 400 V HA 0.352 4.472 4.120 -0.001 0.000 0.278 400 V C 0.052 176.188 176.094 0.071 0.000 1.017 400 V CA -0.660 61.698 62.300 0.097 0.000 0.823 400 V CB 1.347 33.223 31.823 0.088 0.000 1.010 400 V HN 0.957 nan 8.190 nan 0.000 0.443 401 E N 4.660 124.892 120.200 0.053 0.000 2.003 401 E HA 0.361 4.711 4.350 -0.001 0.000 0.279 401 E C -0.684 175.933 176.600 0.028 0.000 1.132 401 E CA -0.021 56.397 56.400 0.031 0.000 0.888 401 E CB 0.964 30.675 29.700 0.018 0.000 1.056 401 E HN 0.473 nan 8.360 nan 0.000 0.399 402 V N 5.905 125.833 119.914 0.023 0.000 2.617 402 V HA 0.301 4.421 4.120 -0.001 0.000 0.298 402 V C 0.657 176.760 176.094 0.015 0.000 1.048 402 V CA -0.564 61.746 62.300 0.018 0.000 0.964 402 V CB 1.506 33.334 31.823 0.008 0.000 1.004 402 V HN 0.820 nan 8.190 nan 0.000 0.466 403 M N 2.409 122.021 119.600 0.019 0.000 2.267 403 M HA 0.636 5.116 4.480 -0.001 0.000 0.303 403 M C 0.512 176.829 176.300 0.028 0.000 1.164 403 M CA 0.312 55.624 55.300 0.020 0.000 1.060 403 M CB 1.501 34.115 32.600 0.024 0.000 1.455 403 M HN 0.896 nan 8.290 nan 0.000 0.483 404 G N -0.035 108.779 108.800 0.024 0.000 2.673 404 G HA2 0.094 4.053 3.960 -0.001 0.000 0.566 404 G HA3 0.094 4.053 3.960 -0.001 0.000 0.566 404 G C -0.014 174.884 174.900 -0.004 0.000 1.170 404 G CA -0.147 44.977 45.100 0.040 0.000 1.242 404 G HN 0.928 nan 8.290 nan 0.000 0.568 405 R N 0.641 121.109 120.500 -0.053 0.000 2.075 405 R HA -0.004 4.336 4.340 -0.001 0.000 0.232 405 R C 1.785 177.854 176.300 -0.386 0.000 1.126 405 R CA 2.247 58.205 56.100 -0.236 0.000 0.963 405 R CB -0.789 29.317 30.300 -0.324 0.000 0.858 405 R HN 0.798 nan 8.270 nan 0.000 0.435 406 H N -2.810 116.279 119.070 0.032 0.000 2.705 406 H HA 0.291 4.847 4.556 -0.001 0.000 0.269 406 H C -0.169 175.177 175.328 0.030 0.000 0.998 406 H CA 0.125 56.189 56.048 0.026 0.000 1.193 406 H CB 0.237 30.009 29.762 0.016 0.000 1.485 406 H HN 0.469 nan 8.280 nan 0.000 0.521 407 C N 0.403 119.783 119.300 0.133 0.000 2.686 407 C HA 0.537 4.996 4.460 -0.001 0.000 0.318 407 C C 1.667 176.778 174.990 0.201 0.000 1.160 407 C CA -0.401 58.709 59.018 0.152 0.000 1.396 407 C CB 0.808 28.645 27.740 0.161 0.000 1.924 407 C HN 0.522 nan 8.230 nan 0.000 0.471 408 G N 1.963 110.923 108.800 0.267 0.000 3.026 408 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.208 408 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.208 408 G C 0.923 175.948 174.900 0.208 0.000 1.169 408 G CA 0.320 45.554 45.100 0.225 0.000 0.788 408 G HN 0.953 nan 8.290 nan 0.000 0.533 409 W N 0.861 122.274 121.300 0.189 0.000 2.335 409 W HA -0.108 4.551 4.660 -0.001 0.000 0.311 409 W C 2.114 178.548 176.519 -0.143 0.000 1.213 409 W CA 1.323 58.656 57.345 -0.020 0.000 1.274 409 W CB -0.144 29.374 29.460 0.097 0.000 1.148 409 W HN 0.154 nan 8.180 nan 0.000 0.498 410 L N 0.192 121.498 121.223 0.138 0.000 2.046 410 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 410 L C 2.741 179.478 176.870 -0.222 0.000 1.077 410 L CA 1.581 56.374 54.840 -0.078 0.000 0.747 410 L CB -1.563 40.547 42.059 0.085 0.000 0.896 410 L HN 0.231 nan 8.230 nan 0.000 0.432 411 G N -0.139 108.569 108.800 -0.153 0.000 2.446 411 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.217 411 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.217 411 G C 1.626 176.314 174.900 -0.352 0.000 1.168 411 G CA 0.720 45.706 45.100 -0.189 0.000 0.771 411 G HN 0.226 nan 8.290 nan 0.000 0.551 412 L N -0.092 120.858 121.223 -0.454 0.000 1.970 412 L HA -0.104 4.235 4.340 -0.001 0.000 0.212 412 L C 3.100 179.613 176.870 -0.595 0.000 1.071 412 L CA 1.445 55.916 54.840 -0.614 0.000 0.751 412 L CB -0.212 41.428 42.059 -0.698 0.000 0.889 412 L HN 0.180 nan 8.230 nan 0.000 0.432 413 M N -0.989 118.198 119.600 -0.688 0.000 2.149 413 M HA -0.180 4.300 4.480 -0.001 0.000 0.261 413 M C 2.398 178.460 176.300 -0.396 0.000 1.064 413 M CA 1.503 56.415 55.300 -0.647 0.000 1.102 413 M CB -1.318 30.623 32.600 -1.098 0.000 1.369 413 M HN 0.224 nan 8.290 nan 0.000 0.408 414 S N 0.710 116.204 115.700 -0.344 0.000 2.368 414 S HA -0.059 4.411 4.470 -0.001 0.000 0.225 414 S C 2.098 176.606 174.600 -0.152 0.000 1.030 414 S CA 1.314 59.398 58.200 -0.194 0.000 0.999 414 S CB -0.807 62.303 63.200 -0.149 0.000 0.844 414 S HN 0.670 nan 8.310 nan 0.000 0.459 415 G N 1.968 110.618 108.800 -0.250 0.000 2.459 415 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.217 415 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.217 415 G C 1.325 176.267 174.900 0.070 0.000 1.183 415 G CA 0.972 45.958 45.100 -0.189 0.000 0.776 415 G HN 0.476 nan 8.290 nan 0.000 0.552 416 I N 1.506 122.078 120.570 0.003 0.000 2.090 416 I HA -0.170 3.999 4.170 -0.001 0.000 0.236 416 I C 3.333 179.456 176.117 0.011 0.000 1.064 416 I CA 1.211 62.547 61.300 0.060 0.000 1.324 416 I CB -0.469 37.522 38.000 -0.015 0.000 1.044 416 I HN 0.227 nan 8.210 nan 0.000 0.399 417 A N 0.331 123.134 122.820 -0.029 0.000 1.997 417 A HA -0.272 4.047 4.320 -0.001 0.000 0.221 417 A C 2.276 179.912 177.584 0.087 0.000 1.172 417 A CA 2.718 54.763 52.037 0.013 0.000 0.645 417 A CB -1.152 17.833 19.000 -0.026 0.000 0.813 417 A HN 0.612 nan 8.150 nan 0.000 0.454 418 T N -5.364 109.215 114.554 0.040 0.000 3.023 418 T HA 0.424 4.773 4.350 -0.001 0.000 0.253 418 T C 1.185 175.736 174.700 -0.249 0.000 1.038 418 T CA 1.049 63.176 62.100 0.045 0.000 0.962 418 T CB 0.042 68.944 68.868 0.057 0.000 1.018 418 T HN 1.821 nan 8.240 nan 0.000 0.521 419 G N 1.843 110.521 108.800 -0.202 0.000 2.295 419 G HA2 0.029 3.988 3.960 -0.001 0.000 0.287 419 G HA3 0.029 3.988 3.960 -0.001 0.000 0.287 419 G C 0.271 175.077 174.900 -0.158 0.000 1.055 419 G CA -0.079 44.863 45.100 -0.264 0.000 0.922 419 G HN 1.199 nan 8.290 nan 0.000 0.503 420 A N -0.619 122.217 122.820 0.027 0.000 2.483 420 A HA 0.528 4.848 4.320 -0.001 0.000 0.238 420 A C 1.230 178.874 177.584 0.099 0.000 1.070 420 A CA 0.979 53.081 52.037 0.109 0.000 0.770 420 A CB 0.341 19.451 19.000 0.182 0.000 1.008 420 A HN 0.364 nan 8.150 nan 0.000 0.497 421 D N -0.768 119.699 120.400 0.112 0.000 2.103 421 D HA 0.064 4.703 4.640 -0.001 0.000 0.199 421 D C -0.036 176.434 176.300 0.283 0.000 0.978 421 D CA 2.015 56.105 54.000 0.150 0.000 0.829 421 D CB -0.009 40.938 40.800 0.246 0.000 0.981 421 D HN 0.577 nan 8.370 nan 0.000 0.464 422 Y N -0.778 119.626 120.300 0.173 0.000 2.553 422 Y HA 0.460 5.010 4.550 -0.001 0.000 0.347 422 Y C -1.361 174.585 175.900 0.077 0.000 1.019 422 Y CA -1.374 56.802 58.100 0.126 0.000 1.032 422 Y CB 1.438 39.907 38.460 0.016 0.000 1.284 422 Y HN -0.166 nan 8.280 nan 0.000 0.466 423 I N 0.037 120.518 120.570 -0.148 0.000 2.828 423 I HA 0.631 4.800 4.170 -0.001 0.000 0.302 423 I C -2.065 173.822 176.117 -0.383 0.000 1.101 423 I CA -0.899 60.283 61.300 -0.196 0.000 1.031 423 I CB 2.548 40.300 38.000 -0.412 0.000 1.231 423 I HN 0.400 nan 8.210 nan 0.000 0.427 424 F N 5.692 125.625 119.950 -0.029 0.000 2.403 424 F HA 0.651 5.178 4.527 -0.001 0.000 0.355 424 F C -0.117 175.617 175.800 -0.109 0.000 1.119 424 F CA -0.638 57.327 58.000 -0.058 0.000 1.007 424 F CB 1.785 40.740 39.000 -0.075 0.000 1.194 424 F HN 0.444 nan 8.300 nan 0.000 0.443 425 I N 1.456 122.021 120.570 -0.008 0.000 2.545 425 I HA 0.568 4.737 4.170 -0.001 0.000 0.292 425 I C -2.484 173.600 176.117 -0.056 0.000 1.040 425 I CA -2.632 58.644 61.300 -0.039 0.000 1.068 425 I CB 2.522 40.469 38.000 -0.088 0.000 1.251 425 I HN 0.151 nan 8.210 nan 0.000 0.424 426 P HA -0.130 nan 4.420 nan 0.000 0.220 426 P C 0.963 178.233 177.300 -0.051 0.000 1.148 426 P CA 1.214 64.286 63.100 -0.047 0.000 0.803 426 P CB 0.088 31.793 31.700 0.008 0.000 0.782 427 E N 0.002 120.183 120.200 -0.033 0.000 2.106 427 E HA -0.119 4.231 4.350 -0.001 0.000 0.192 427 E C 1.050 177.620 176.600 -0.050 0.000 0.984 427 E CA 0.992 57.376 56.400 -0.026 0.000 0.806 427 E CB -0.381 29.264 29.700 -0.091 0.000 0.750 427 E HN 0.282 nan 8.360 nan 0.000 0.458 428 R N 1.666 122.079 120.500 -0.145 0.000 2.564 428 R HA 0.248 4.587 4.340 -0.001 0.000 0.282 428 R C -2.479 173.724 176.300 -0.163 0.000 1.573 428 R CA -1.537 54.494 56.100 -0.114 0.000 1.588 428 R CB 1.319 31.610 30.300 -0.015 0.000 1.154 428 R HN 0.081 nan 8.270 nan 0.000 0.606 429 P HA 0.244 nan 4.420 nan 0.000 0.277 429 P C -2.621 174.590 177.300 -0.148 0.000 1.240 429 P CA -1.380 61.538 63.100 -0.303 0.000 0.798 429 P CB 0.762 32.116 31.700 -0.577 0.000 0.979 430 P HA 0.112 nan 4.420 nan 0.000 0.279 430 P C -0.149 177.234 177.300 0.139 0.000 1.276 430 P CA -0.446 62.725 63.100 0.117 0.000 0.801 430 P CB 0.194 32.063 31.700 0.282 0.000 1.127 431 S N -0.848 114.971 115.700 0.199 0.000 2.568 431 S HA 0.006 4.476 4.470 -0.001 0.000 0.282 431 S C 1.221 175.999 174.600 0.297 0.000 1.338 431 S CA 0.055 58.373 58.200 0.197 0.000 1.045 431 S CB 0.075 63.373 63.200 0.162 0.000 0.873 431 S HN 0.588 nan 8.310 nan 0.000 0.516 432 E N 2.389 122.736 120.200 0.244 0.000 2.150 432 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 432 E C 1.879 178.611 176.600 0.220 0.000 0.985 432 E CA 1.268 57.847 56.400 0.298 0.000 0.814 432 E CB -0.545 29.273 29.700 0.196 0.000 0.752 432 E HN 0.804 nan 8.360 nan 0.000 0.466 433 S N 1.316 117.099 115.700 0.138 0.000 2.356 433 S HA -0.132 4.338 4.470 -0.001 0.000 0.223 433 S C 1.379 175.992 174.600 0.022 0.000 1.032 433 S CA 1.180 59.420 58.200 0.066 0.000 1.005 433 S CB -0.303 62.933 63.200 0.060 0.000 0.867 433 S HN 0.285 nan 8.310 nan 0.000 0.449 434 N N 0.275 119.014 118.700 0.065 0.000 2.451 434 N HA 0.165 4.905 4.740 -0.001 0.000 0.271 434 N C 0.701 176.260 175.510 0.081 0.000 1.410 434 N CA 0.070 53.130 53.050 0.017 0.000 0.884 434 N CB 0.366 38.867 38.487 0.023 0.000 1.332 434 N HN 0.755 nan 8.380 nan 0.000 0.498 435 W N 1.515 122.852 121.300 0.062 0.000 2.418 435 W HA 0.036 4.696 4.660 -0.001 0.000 0.292 435 W C 0.912 177.443 176.519 0.020 0.000 1.213 435 W CA 0.436 57.835 57.345 0.090 0.000 1.283 435 W CB -0.424 29.143 29.460 0.179 0.000 1.119 435 W HN -0.071 nan 8.180 nan 0.000 0.542 436 K N 0.805 120.847 120.400 -0.596 0.000 2.057 436 K HA -0.145 4.175 4.320 -0.001 0.000 0.207 436 K C 1.622 178.060 176.600 -0.270 0.000 1.049 436 K CA 1.942 57.837 56.287 -0.653 0.000 0.931 436 K CB -0.392 31.591 32.500 -0.862 0.000 0.714 436 K HN 0.069 nan 8.250 nan 0.000 0.440 437 D N 0.909 121.194 120.400 -0.191 0.000 2.183 437 D HA -0.135 4.505 4.640 -0.001 0.000 0.203 437 D C 1.549 177.819 176.300 -0.051 0.000 0.969 437 D CA 1.128 55.064 54.000 -0.106 0.000 0.842 437 D CB -0.032 40.718 40.800 -0.084 0.000 0.957 437 D HN 0.211 nan 8.370 nan 0.000 0.484 438 D N 0.680 121.080 120.400 0.001 0.000 2.162 438 D HA -0.054 4.585 4.640 -0.001 0.000 0.203 438 D C 2.241 178.553 176.300 0.020 0.000 0.967 438 D CA 0.212 54.249 54.000 0.061 0.000 0.840 438 D CB -0.063 40.839 40.800 0.171 0.000 0.972 438 D HN 0.072 nan 8.370 nan 0.000 0.482 439 L N 0.266 121.415 121.223 -0.123 0.000 1.989 439 L HA -0.205 4.134 4.340 -0.001 0.000 0.211 439 L C 2.284 179.080 176.870 -0.123 0.000 1.071 439 L CA 1.453 56.101 54.840 -0.319 0.000 0.749 439 L CB -0.214 41.697 42.059 -0.246 0.000 0.890 439 L HN 0.046 nan 8.230 nan 0.000 0.431 440 K N 0.036 120.378 120.400 -0.096 0.000 2.020 440 K HA -0.258 4.062 4.320 -0.001 0.000 0.212 440 K C 2.392 178.951 176.600 -0.068 0.000 1.050 440 K CA 2.255 58.497 56.287 -0.076 0.000 0.929 440 K CB -0.421 32.030 32.500 -0.083 0.000 0.714 440 K HN 0.324 nan 8.250 nan 0.000 0.443 441 K N 1.293 121.656 120.400 -0.061 0.000 1.987 441 K HA -0.170 4.149 4.320 -0.001 0.000 0.216 441 K C 2.236 178.771 176.600 -0.109 0.000 1.051 441 K CA 2.235 58.481 56.287 -0.069 0.000 0.942 441 K CB -1.552 30.922 32.500 -0.044 0.000 0.722 441 K HN 0.047 nan 8.250 nan 0.000 0.444 442 V N 0.907 120.772 119.914 -0.083 0.000 2.250 442 V HA -0.392 3.728 4.120 -0.001 0.000 0.250 442 V C 2.776 178.714 176.094 -0.259 0.000 1.060 442 V CA 2.283 64.491 62.300 -0.153 0.000 1.030 442 V CB -0.982 30.903 31.823 0.103 0.000 0.643 442 V HN 0.763 nan 8.190 nan 0.000 0.445 443 C N -0.528 118.736 119.300 -0.061 0.000 2.436 443 C HA -0.119 4.340 4.460 -0.001 0.000 0.277 443 C C 2.658 177.618 174.990 -0.050 0.000 1.241 443 C CA 1.009 60.030 59.018 0.006 0.000 1.721 443 C CB -1.185 26.569 27.740 0.022 0.000 2.043 443 C HN 0.539 nan 8.230 nan 0.000 0.472 444 L N 0.394 121.568 121.223 -0.082 0.000 2.131 444 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 444 L C 2.832 179.631 176.870 -0.118 0.000 1.092 444 L CA 1.290 56.081 54.840 -0.082 0.000 0.759 444 L CB -0.602 41.413 42.059 -0.073 0.000 0.903 444 L HN 0.363 nan 8.230 nan 0.000 0.435 445 R N -0.912 119.468 120.500 -0.200 0.000 2.073 445 R HA -0.177 4.162 4.340 -0.001 0.000 0.234 445 R C 2.424 178.582 176.300 -0.235 0.000 1.134 445 R CA 1.461 57.407 56.100 -0.256 0.000 0.952 445 R CB -0.166 29.917 30.300 -0.362 0.000 0.850 445 R HN 0.405 nan 8.270 nan 0.000 0.433 446 H N 0.124 119.126 119.070 -0.114 0.000 2.357 446 H HA -0.011 4.545 4.556 -0.001 0.000 0.301 446 H C 2.173 177.435 175.328 -0.109 0.000 1.082 446 H CA 1.205 57.177 56.048 -0.126 0.000 1.342 446 H CB -0.190 29.517 29.762 -0.091 0.000 1.389 446 H HN 0.219 nan 8.280 nan 0.000 0.511 447 R N 0.593 121.106 120.500 0.022 0.000 2.105 447 R HA -0.158 4.182 4.340 -0.001 0.000 0.239 447 R C 2.284 178.553 176.300 -0.051 0.000 1.135 447 R CA 1.407 57.491 56.100 -0.026 0.000 0.967 447 R CB -0.075 30.201 30.300 -0.040 0.000 0.861 447 R HN 0.316 nan 8.270 nan 0.000 0.442 448 E N 1.235 121.395 120.200 -0.067 0.000 2.077 448 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 448 E C 1.493 178.040 176.600 -0.088 0.000 0.989 448 E CA 1.545 57.900 56.400 -0.075 0.000 0.800 448 E CB 0.002 29.645 29.700 -0.094 0.000 0.746 448 E HN -0.077 nan 8.360 nan 0.000 0.452 449 K N -1.415 118.911 120.400 -0.125 0.000 2.555 449 K HA 0.124 4.444 4.320 -0.001 0.000 0.193 449 K C 0.795 177.350 176.600 -0.076 0.000 1.032 449 K CA 0.819 57.001 56.287 -0.174 0.000 1.004 449 K CB 0.160 32.444 32.500 -0.361 0.000 0.804 449 K HN 0.346 nan 8.250 nan 0.000 0.496 450 G N -0.161 108.614 108.800 -0.042 0.000 2.336 450 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.194 450 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.194 450 G C -0.112 174.779 174.900 -0.016 0.000 0.999 450 G CA -0.175 44.916 45.100 -0.015 0.000 0.669 450 G HN 0.283 nan 8.290 nan 0.000 0.482 451 R N 0.924 121.417 120.500 -0.011 0.000 2.484 451 R HA 0.364 4.704 4.340 -0.001 0.000 0.293 451 R C 1.122 177.411 176.300 -0.019 0.000 1.023 451 R CA 0.101 56.200 56.100 -0.001 0.000 1.037 451 R CB 0.236 30.543 30.300 0.012 0.000 0.951 451 R HN 0.137 nan 8.270 nan 0.000 0.418 452 R N 3.137 123.634 120.500 -0.005 0.000 2.476 452 R HA 0.086 4.426 4.340 -0.001 0.000 0.276 452 R C -0.110 176.218 176.300 0.048 0.000 0.941 452 R CA 0.234 56.319 56.100 -0.025 0.000 1.088 452 R CB 0.682 30.955 30.300 -0.044 0.000 1.216 452 R HN 0.501 nan 8.270 nan 0.000 0.533 453 K N 1.469 121.929 120.400 0.099 0.000 2.901 453 K HA 0.220 4.540 4.320 -0.001 0.000 0.199 453 K C -0.647 176.064 176.600 0.185 0.000 1.140 453 K CA -0.090 56.324 56.287 0.212 0.000 1.030 453 K CB 1.202 33.830 32.500 0.213 0.000 1.437 453 K HN -0.188 nan 8.250 nan 0.000 0.552 454 T N 1.971 116.587 114.554 0.102 0.000 2.793 454 T HA 0.024 4.373 4.350 -0.001 0.000 0.289 454 T C 0.189 174.976 174.700 0.145 0.000 0.956 454 T CA 0.457 62.606 62.100 0.082 0.000 1.177 454 T CB 0.262 69.142 68.868 0.020 0.000 0.897 454 T HN 0.195 nan 8.240 nan 0.000 0.533 455 T N 3.596 118.251 114.554 0.167 0.000 2.812 455 T HA 0.541 4.891 4.350 -0.001 0.000 0.282 455 T C -0.260 174.553 174.700 0.189 0.000 0.990 455 T CA -0.645 61.577 62.100 0.204 0.000 0.960 455 T CB 1.389 70.370 68.868 0.189 0.000 0.948 455 T HN 0.315 nan 8.240 nan 0.000 0.438 456 V N 4.040 124.079 119.914 0.207 0.000 2.555 456 V HA 0.576 4.695 4.120 -0.001 0.000 0.302 456 V C -0.471 175.757 176.094 0.224 0.000 1.038 456 V CA -0.888 61.563 62.300 0.251 0.000 0.887 456 V CB 1.910 33.910 31.823 0.297 0.000 0.991 456 V HN 0.814 nan 8.190 nan 0.000 0.434 457 I N 4.072 124.775 120.570 0.221 0.000 2.382 457 I HA 0.450 4.620 4.170 -0.001 0.000 0.286 457 I C -0.647 175.603 176.117 0.222 0.000 1.002 457 I CA -0.513 60.877 61.300 0.151 0.000 1.135 457 I CB 1.948 39.974 38.000 0.044 0.000 1.288 457 I HN 0.303 nan 8.210 nan 0.000 0.448 458 V N 6.372 126.385 119.914 0.165 0.000 2.347 458 V HA 0.597 4.717 4.120 -0.001 0.000 0.280 458 V C 0.592 176.713 176.094 0.045 0.000 1.021 458 V CA -0.693 61.681 62.300 0.122 0.000 0.847 458 V CB 1.249 33.057 31.823 -0.024 0.000 0.990 458 V HN 0.807 nan 8.190 nan 0.000 0.444 459 A N 3.099 125.946 122.820 0.044 0.000 2.366 459 A HA 0.330 4.649 4.320 -0.001 0.000 0.249 459 A C 1.320 178.893 177.584 -0.019 0.000 1.084 459 A CA 0.082 52.125 52.037 0.009 0.000 0.794 459 A CB 0.241 19.248 19.000 0.011 0.000 1.034 459 A HN 0.989 nan 8.150 nan 0.000 0.491 460 E N 1.070 121.258 120.200 -0.020 0.000 2.085 460 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 460 E C 1.478 178.043 176.600 -0.059 0.000 0.994 460 E CA 1.509 57.887 56.400 -0.036 0.000 0.801 460 E CB -0.251 29.431 29.700 -0.030 0.000 0.743 460 E HN 0.785 nan 8.360 nan 0.000 0.453 461 G N -0.099 108.664 108.800 -0.063 0.000 3.314 461 G HA2 0.338 4.298 3.960 -0.001 0.000 0.238 461 G HA3 0.338 4.298 3.960 -0.001 0.000 0.238 461 G C 0.135 174.997 174.900 -0.063 0.000 1.184 461 G CA 0.167 45.222 45.100 -0.075 0.000 0.806 461 G HN 0.379 nan 8.290 nan 0.000 0.536 462 A N 0.735 123.515 122.820 -0.068 0.000 2.566 462 A HA 0.478 4.798 4.320 -0.001 0.000 0.245 462 A C 0.316 177.818 177.584 -0.137 0.000 1.056 462 A CA 0.376 52.363 52.037 -0.083 0.000 0.757 462 A CB -0.333 18.595 19.000 -0.120 0.000 0.979 462 A HN 0.875 nan 8.150 nan 0.000 0.508 463 I N -1.022 119.468 120.570 -0.133 0.000 3.279 463 I HA 0.744 4.913 4.170 -0.001 0.000 0.315 463 I C -0.963 175.040 176.117 -0.191 0.000 1.187 463 I CA -1.347 59.863 61.300 -0.150 0.000 0.953 463 I CB 2.362 40.310 38.000 -0.087 0.000 1.279 463 I HN 0.564 nan 8.210 nan 0.000 0.465 464 D N 0.030 120.334 120.400 -0.160 0.000 2.326 464 D HA 0.220 4.860 4.640 -0.001 0.000 0.251 464 D C 0.326 176.563 176.300 -0.106 0.000 1.023 464 D CA -0.500 53.428 54.000 -0.120 0.000 0.966 464 D CB 0.884 41.680 40.800 -0.007 0.000 1.156 464 D HN 0.712 nan 8.370 nan 0.000 0.494 465 D N -0.585 119.768 120.400 -0.078 0.000 2.389 465 D HA -0.230 4.410 4.640 -0.001 0.000 0.221 465 D C 0.951 177.412 176.300 0.268 0.000 0.974 465 D CA 0.923 54.936 54.000 0.022 0.000 0.923 465 D CB -0.154 40.719 40.800 0.122 0.000 0.892 465 D HN 0.308 nan 8.370 nan 0.000 0.518 466 Q N -0.713 119.189 119.800 0.170 0.000 2.201 466 Q HA 0.301 4.640 4.340 -0.001 0.000 0.217 466 Q C 0.759 176.846 176.000 0.146 0.000 0.860 466 Q CA -0.355 55.546 55.803 0.164 0.000 0.984 466 Q CB -0.005 28.808 28.738 0.124 0.000 1.095 466 Q HN 0.124 nan 8.270 nan 0.000 0.477 467 L N -0.559 120.765 121.223 0.168 0.000 5.051 467 L HA -0.283 4.057 4.340 -0.001 0.000 0.432 467 L C -0.779 176.127 176.870 0.060 0.000 1.055 467 L CA 0.803 55.722 54.840 0.132 0.000 1.095 467 L CB -1.646 40.498 42.059 0.141 0.000 1.957 467 L HN 0.442 nan 8.230 nan 0.000 0.727 468 N N 2.861 121.589 118.700 0.046 0.000 2.497 468 N HA 0.253 4.992 4.740 -0.001 0.000 0.268 468 N C -2.027 173.468 175.510 -0.024 0.000 1.171 468 N CA -0.840 52.226 53.050 0.026 0.000 0.948 468 N CB 0.654 39.174 38.487 0.055 0.000 1.069 468 N HN 0.250 nan 8.380 nan 0.000 0.460 469 P HA 0.197 nan 4.420 nan 0.000 0.272 469 P C -0.247 176.968 177.300 -0.141 0.000 1.223 469 P CA 0.013 63.062 63.100 -0.086 0.000 0.784 469 P CB 0.951 32.615 31.700 -0.060 0.000 0.923 470 I N 1.974 122.389 120.570 -0.258 0.000 2.359 470 I HA 0.171 4.341 4.170 -0.001 0.000 0.284 470 I C 1.113 177.020 176.117 -0.350 0.000 1.018 470 I CA -0.509 60.533 61.300 -0.430 0.000 1.173 470 I CB 1.261 38.705 38.000 -0.927 0.000 1.326 470 I HN 0.308 nan 8.210 nan 0.000 0.462 471 T N 0.860 115.292 114.554 -0.203 0.000 2.882 471 T HA 0.113 4.462 4.350 -0.001 0.000 0.287 471 T C 1.335 175.943 174.700 -0.153 0.000 1.014 471 T CA -0.328 61.689 62.100 -0.138 0.000 1.049 471 T CB 1.526 70.357 68.868 -0.062 0.000 1.001 471 T HN 0.635 nan 8.240 nan 0.000 0.525 472 S N -0.083 115.556 115.700 -0.101 0.000 2.423 472 S HA -0.120 4.349 4.470 -0.001 0.000 0.231 472 S C 1.751 176.340 174.600 -0.018 0.000 1.014 472 S CA 0.859 59.021 58.200 -0.063 0.000 0.965 472 S CB -0.583 62.605 63.200 -0.019 0.000 0.785 472 S HN 0.790 nan 8.310 nan 0.000 0.495 473 E N 1.733 121.926 120.200 -0.011 0.000 2.106 473 E HA -0.068 4.282 4.350 -0.001 0.000 0.192 473 E C 1.964 178.579 176.600 0.025 0.000 0.984 473 E CA 1.403 57.808 56.400 0.009 0.000 0.806 473 E CB -0.372 29.332 29.700 0.007 0.000 0.750 473 E HN 0.741 nan 8.360 nan 0.000 0.458 474 E N -0.713 119.509 120.200 0.036 0.000 2.058 474 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 474 E C 2.073 178.777 176.600 0.173 0.000 0.997 474 E CA 1.561 58.029 56.400 0.113 0.000 0.801 474 E CB -0.005 29.802 29.700 0.178 0.000 0.746 474 E HN 0.116 nan 8.360 nan 0.000 0.450 475 V N 1.737 121.737 119.914 0.143 0.000 2.343 475 V HA -0.280 3.839 4.120 -0.001 0.000 0.247 475 V C 2.392 178.550 176.094 0.106 0.000 1.051 475 V CA 1.713 64.117 62.300 0.173 0.000 1.036 475 V CB -0.558 31.290 31.823 0.042 0.000 0.654 475 V HN 0.239 nan 8.190 nan 0.000 0.451 476 K N 0.270 120.705 120.400 0.059 0.000 2.009 476 K HA -0.271 4.048 4.320 -0.001 0.000 0.210 476 K C 1.885 178.494 176.600 0.015 0.000 1.049 476 K CA 2.292 58.598 56.287 0.033 0.000 0.929 476 K CB -0.484 32.031 32.500 0.025 0.000 0.714 476 K HN 0.473 nan 8.250 nan 0.000 0.440 477 D N 0.562 120.971 120.400 0.015 0.000 2.149 477 D HA -0.148 4.491 4.640 -0.001 0.000 0.198 477 D C 2.050 178.332 176.300 -0.029 0.000 0.990 477 D CA 1.089 55.085 54.000 -0.007 0.000 0.839 477 D CB -0.317 40.479 40.800 -0.007 0.000 0.948 477 D HN 0.083 nan 8.370 nan 0.000 0.460 478 V N 1.179 121.076 119.914 -0.028 0.000 2.261 478 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 478 V C 2.678 178.742 176.094 -0.050 0.000 1.047 478 V CA 1.296 63.553 62.300 -0.072 0.000 1.015 478 V CB -0.647 31.121 31.823 -0.091 0.000 0.642 478 V HN 0.180 nan 8.190 nan 0.000 0.446 479 L N -0.425 120.786 121.223 -0.019 0.000 2.141 479 L HA -0.114 4.226 4.340 -0.001 0.000 0.209 479 L C 2.454 179.300 176.870 -0.040 0.000 1.094 479 L CA 0.793 55.617 54.840 -0.027 0.000 0.763 479 L CB -0.722 41.328 42.059 -0.016 0.000 0.908 479 L HN 0.183 nan 8.230 nan 0.000 0.437 480 V N 0.888 120.781 119.914 -0.035 0.000 2.427 480 V HA -0.244 3.876 4.120 -0.001 0.000 0.248 480 V C 2.409 178.482 176.094 -0.036 0.000 1.051 480 V CA 2.026 64.304 62.300 -0.035 0.000 1.048 480 V CB -0.556 31.251 31.823 -0.027 0.000 0.666 480 V HN 0.658 nan 8.190 nan 0.000 0.456 481 E N -0.362 119.812 120.200 -0.042 0.000 2.516 481 E HA -0.098 4.251 4.350 -0.001 0.000 0.199 481 E C 1.466 178.038 176.600 -0.046 0.000 1.069 481 E CA 0.496 56.869 56.400 -0.045 0.000 0.876 481 E CB -0.011 29.656 29.700 -0.055 0.000 0.843 481 E HN 0.446 nan 8.360 nan 0.000 0.530 482 I N 0.991 121.534 120.570 -0.045 0.000 3.956 482 I HA 0.175 4.344 4.170 -0.001 0.000 0.333 482 I C 1.288 177.385 176.117 -0.034 0.000 1.302 482 I CA 0.699 61.974 61.300 -0.043 0.000 1.122 482 I CB -0.139 37.832 38.000 -0.048 0.000 1.013 482 I HN 0.364 nan 8.210 nan 0.000 0.405 483 G N 1.614 110.395 108.800 -0.032 0.000 2.137 483 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.237 483 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.237 483 G C 0.113 174.997 174.900 -0.027 0.000 1.002 483 G CA -0.180 44.907 45.100 -0.023 0.000 0.702 483 G HN 0.305 nan 8.290 nan 0.000 0.515 484 L N 0.424 121.621 121.223 -0.045 0.000 2.307 484 L HA 0.469 4.809 4.340 -0.001 0.000 0.284 484 L C -0.049 176.773 176.870 -0.080 0.000 1.023 484 L CA -1.027 53.771 54.840 -0.070 0.000 0.810 484 L CB 1.641 43.645 42.059 -0.092 0.000 1.231 484 L HN 0.102 nan 8.230 nan 0.000 0.423 485 D N 2.279 122.625 120.400 -0.091 0.000 2.383 485 D HA 0.093 4.733 4.640 -0.001 0.000 0.245 485 D C -0.396 175.813 176.300 -0.152 0.000 1.263 485 D CA 0.048 53.998 54.000 -0.083 0.000 0.936 485 D CB 0.585 41.356 40.800 -0.047 0.000 1.053 485 D HN 0.384 nan 8.370 nan 0.000 0.507 486 T N 4.529 119.016 114.554 -0.113 0.000 2.845 486 T HA 0.431 4.781 4.350 -0.001 0.000 0.288 486 T C 0.318 174.998 174.700 -0.033 0.000 0.980 486 T CA -0.745 61.283 62.100 -0.119 0.000 1.071 486 T CB 1.252 70.081 68.868 -0.067 0.000 0.941 486 T HN 0.139 nan 8.240 nan 0.000 0.487 487 R N 2.355 122.870 120.500 0.025 0.000 2.435 487 R HA 0.403 4.743 4.340 -0.001 0.000 0.308 487 R C -0.807 175.595 176.300 0.168 0.000 0.975 487 R CA -0.707 55.479 56.100 0.143 0.000 0.867 487 R CB 1.122 31.595 30.300 0.290 0.000 1.171 487 R HN 0.581 nan 8.270 nan 0.000 0.470 488 I N 1.682 122.317 120.570 0.108 0.000 2.575 488 I HA 0.144 4.314 4.170 -0.001 0.000 0.285 488 I C 0.653 176.828 176.117 0.097 0.000 1.085 488 I CA 0.614 61.971 61.300 0.095 0.000 1.403 488 I CB 1.006 39.041 38.000 0.059 0.000 1.409 488 I HN 0.303 nan 8.210 nan 0.000 0.557 489 T N 6.022 120.631 114.554 0.093 0.000 2.930 489 T HA 0.400 4.749 4.350 -0.001 0.000 0.313 489 T C -0.219 174.517 174.700 0.060 0.000 1.019 489 T CA -0.717 61.428 62.100 0.076 0.000 1.004 489 T CB 0.431 69.347 68.868 0.081 0.000 0.987 489 T HN 0.396 nan 8.240 nan 0.000 0.456 490 R N 3.166 123.695 120.500 0.049 0.000 2.207 490 R HA 0.345 4.685 4.340 -0.001 0.000 0.334 490 R C 1.080 177.406 176.300 0.043 0.000 1.013 490 R CA -0.757 55.367 56.100 0.041 0.000 0.858 490 R CB 0.783 31.104 30.300 0.034 0.000 1.094 490 R HN 0.400 nan 8.270 nan 0.000 0.457 491 L N 2.207 123.455 121.223 0.042 0.000 2.046 491 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 491 L C 1.467 178.365 176.870 0.047 0.000 1.077 491 L CA 2.281 57.147 54.840 0.043 0.000 0.747 491 L CB -1.285 40.796 42.059 0.036 0.000 0.896 491 L HN 1.024 nan 8.230 nan 0.000 0.432 492 G N -0.706 108.124 108.800 0.050 0.000 2.582 492 G HA2 -0.455 3.505 3.960 -0.001 0.000 0.288 492 G HA3 -0.455 3.505 3.960 -0.001 0.000 0.288 492 G C 0.798 175.753 174.900 0.092 0.000 1.247 492 G CA 0.916 46.059 45.100 0.072 0.000 0.972 492 G HN 0.489 nan 8.290 nan 0.000 0.557 493 H N 0.146 119.228 119.070 0.020 0.000 2.543 493 H HA 0.150 4.706 4.556 -0.001 0.000 0.286 493 H C 2.666 178.009 175.328 0.025 0.000 1.037 493 H CA 1.785 57.845 56.048 0.021 0.000 1.250 493 H CB -0.144 29.629 29.762 0.017 0.000 1.373 493 H HN 0.351 nan 8.280 nan 0.000 0.580 494 V N 0.200 120.135 119.914 0.034 0.000 2.380 494 V HA -0.313 3.806 4.120 -0.001 0.000 0.251 494 V C 2.143 178.211 176.094 -0.044 0.000 1.063 494 V CA 2.134 64.438 62.300 0.006 0.000 1.055 494 V CB -0.435 31.410 31.823 0.038 0.000 0.657 494 V HN 0.568 nan 8.190 nan 0.000 0.455 495 Q N -0.898 118.872 119.800 -0.050 0.000 2.500 495 Q HA -0.083 4.256 4.340 -0.001 0.000 0.213 495 Q C 2.098 178.043 176.000 -0.092 0.000 0.974 495 Q CA 0.779 56.556 55.803 -0.043 0.000 0.918 495 Q CB 0.068 28.798 28.738 -0.013 0.000 0.980 495 Q HN 0.635 nan 8.270 nan 0.000 0.505 496 R N -1.614 118.754 120.500 -0.220 0.000 2.344 496 R HA 0.194 4.533 4.340 -0.001 0.000 0.209 496 R C 0.686 176.867 176.300 -0.197 0.000 0.886 496 R CA 0.235 56.183 56.100 -0.253 0.000 1.040 496 R CB 0.852 30.890 30.300 -0.436 0.000 1.114 496 R HN -0.029 nan 8.270 nan 0.000 0.547 497 G N 0.227 108.923 108.800 -0.173 0.000 2.491 497 G HA2 0.563 4.523 3.960 -0.001 0.000 0.327 497 G HA3 0.563 4.523 3.960 -0.001 0.000 0.327 497 G C -0.160 174.728 174.900 -0.021 0.000 1.189 497 G CA 0.069 45.129 45.100 -0.067 0.000 0.956 497 G HN 0.277 nan 8.290 nan 0.000 0.491 498 G N -1.516 107.284 108.800 -0.001 0.000 2.603 498 G HA2 0.433 4.393 3.960 -0.001 0.000 0.686 498 G HA3 0.433 4.393 3.960 -0.001 0.000 0.686 498 G C 0.111 175.016 174.900 0.008 0.000 1.286 498 G CA -0.073 45.032 45.100 0.009 0.000 0.871 498 G HN 1.999 nan 8.290 nan 0.000 0.568 499 A N 1.656 124.483 122.820 0.011 0.000 2.462 499 A HA 0.689 5.008 4.320 -0.001 0.000 0.243 499 A C -0.977 176.620 177.584 0.021 0.000 1.076 499 A CA -0.059 51.984 52.037 0.010 0.000 0.773 499 A CB -0.165 18.841 19.000 0.009 0.000 1.010 499 A HN 0.858 nan 8.150 nan 0.000 0.493 500 P HA 0.198 nan 4.420 nan 0.000 0.269 500 P C 0.415 177.752 177.300 0.061 0.000 1.215 500 P CA -0.313 62.810 63.100 0.039 0.000 0.780 500 P CB 0.146 31.856 31.700 0.017 0.000 0.898 501 C N 0.091 119.451 119.300 0.100 0.000 2.633 501 C HA 0.540 5.000 4.460 -0.001 0.000 0.345 501 C C 2.262 177.329 174.990 0.128 0.000 1.384 501 C CA 0.166 59.255 59.018 0.118 0.000 2.418 501 C CB -0.774 27.064 27.740 0.163 0.000 2.425 501 C HN 0.719 nan 8.230 nan 0.000 0.705 502 A N 0.856 123.748 122.820 0.121 0.000 1.884 502 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 502 A C 1.942 179.682 177.584 0.259 0.000 1.197 502 A CA 2.258 54.376 52.037 0.136 0.000 0.637 502 A CB -1.177 17.840 19.000 0.030 0.000 0.827 502 A HN 1.156 nan 8.150 nan 0.000 0.450 503 F N 0.749 120.774 119.950 0.125 0.000 2.102 503 F HA -0.205 4.322 4.527 -0.001 0.000 0.298 503 F C 1.986 177.947 175.800 0.269 0.000 1.105 503 F CA 2.099 60.220 58.000 0.203 0.000 1.239 503 F CB -0.117 38.874 39.000 -0.015 0.000 0.991 503 F HN 0.230 nan 8.300 nan 0.000 0.474 504 D N 0.282 120.706 120.400 0.041 0.000 2.123 504 D HA -0.168 4.472 4.640 -0.001 0.000 0.196 504 D C 2.349 178.583 176.300 -0.111 0.000 0.992 504 D CA 1.263 55.220 54.000 -0.072 0.000 0.833 504 D CB -0.302 40.538 40.800 0.066 0.000 0.954 504 D HN 0.330 nan 8.370 nan 0.000 0.455 505 R N -0.289 120.205 120.500 -0.011 0.000 2.083 505 R HA -0.151 4.188 4.340 -0.001 0.000 0.237 505 R C 2.331 178.597 176.300 -0.055 0.000 1.137 505 R CA 1.245 57.335 56.100 -0.017 0.000 0.951 505 R CB -0.521 29.806 30.300 0.044 0.000 0.851 505 R HN 0.247 nan 8.270 nan 0.000 0.434 506 F N 1.080 120.940 119.950 -0.151 0.000 2.084 506 F HA -0.167 4.360 4.527 -0.001 0.000 0.296 506 F C 1.953 177.567 175.800 -0.310 0.000 1.111 506 F CA 1.210 59.066 58.000 -0.241 0.000 1.224 506 F CB -0.572 38.281 39.000 -0.245 0.000 0.991 506 F HN -0.066 nan 8.300 nan 0.000 0.471 507 L N 1.226 121.972 121.223 -0.795 0.000 2.042 507 L HA -0.093 4.247 4.340 -0.001 0.000 0.210 507 L C 2.463 179.006 176.870 -0.546 0.000 1.076 507 L CA 2.235 56.556 54.840 -0.866 0.000 0.749 507 L CB -1.351 40.233 42.059 -0.790 0.000 0.893 507 L HN 0.285 nan 8.230 nan 0.000 0.432 508 A N -2.297 120.300 122.820 -0.371 0.000 1.929 508 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 508 A C 2.302 179.731 177.584 -0.258 0.000 1.176 508 A CA 1.944 53.827 52.037 -0.257 0.000 0.628 508 A CB -1.030 17.863 19.000 -0.179 0.000 0.816 508 A HN 0.466 nan 8.150 nan 0.000 0.444 509 T N -0.509 113.875 114.554 -0.283 0.000 2.737 509 T HA -0.097 4.253 4.350 -0.001 0.000 0.265 509 T C 1.908 176.445 174.700 -0.272 0.000 1.038 509 T CA 1.651 63.604 62.100 -0.246 0.000 1.144 509 T CB -0.288 68.457 68.868 -0.206 0.000 0.866 509 T HN 0.123 nan 8.240 nan 0.000 0.434 510 V N 1.326 120.997 119.914 -0.405 0.000 2.307 510 V HA -0.168 3.951 4.120 -0.001 0.000 0.245 510 V C 2.605 178.530 176.094 -0.282 0.000 1.045 510 V CA 1.667 63.734 62.300 -0.388 0.000 1.024 510 V CB -0.567 30.860 31.823 -0.660 0.000 0.651 510 V HN 0.499 nan 8.190 nan 0.000 0.449 511 Q N -0.217 119.402 119.800 -0.301 0.000 2.124 511 Q HA -0.128 4.212 4.340 -0.001 0.000 0.202 511 Q C 2.339 178.249 176.000 -0.151 0.000 0.977 511 Q CA 1.529 57.212 55.803 -0.200 0.000 0.850 511 Q CB -0.483 28.141 28.738 -0.191 0.000 0.901 511 Q HN 0.736 nan 8.270 nan 0.000 0.429 512 G N 0.157 108.860 108.800 -0.161 0.000 2.418 512 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.217 512 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.217 512 G C 1.488 176.333 174.900 -0.090 0.000 1.158 512 G CA 0.782 45.807 45.100 -0.125 0.000 0.771 512 G HN 0.204 nan 8.290 nan 0.000 0.545 513 V N 0.981 120.839 119.914 -0.094 0.000 2.307 513 V HA -0.152 3.968 4.120 -0.001 0.000 0.245 513 V C 2.450 178.528 176.094 -0.026 0.000 1.045 513 V CA 2.303 64.580 62.300 -0.039 0.000 1.024 513 V CB -0.414 31.379 31.823 -0.049 0.000 0.651 513 V HN 0.398 nan 8.190 nan 0.000 0.449 514 D N -0.124 120.239 120.400 -0.063 0.000 2.144 514 D HA -0.125 4.515 4.640 -0.001 0.000 0.199 514 D C 2.126 178.389 176.300 -0.062 0.000 0.984 514 D CA 1.300 55.263 54.000 -0.061 0.000 0.834 514 D CB -0.125 40.633 40.800 -0.070 0.000 0.955 514 D HN 0.382 nan 8.370 nan 0.000 0.465 515 A N -0.226 122.555 122.820 -0.064 0.000 1.883 515 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 515 A C 2.454 180.009 177.584 -0.049 0.000 1.186 515 A CA 1.673 53.674 52.037 -0.059 0.000 0.624 515 A CB -0.916 18.044 19.000 -0.065 0.000 0.822 515 A HN 0.206 nan 8.150 nan 0.000 0.444 516 V N -0.177 119.718 119.914 -0.031 0.000 2.343 516 V HA -0.281 3.838 4.120 -0.001 0.000 0.247 516 V C 2.654 178.710 176.094 -0.063 0.000 1.051 516 V CA 2.325 64.620 62.300 -0.009 0.000 1.036 516 V CB -0.836 31.029 31.823 0.070 0.000 0.654 516 V HN 0.533 nan 8.190 nan 0.000 0.451 517 R N 0.192 120.634 120.500 -0.097 0.000 2.073 517 R HA -0.120 4.220 4.340 -0.001 0.000 0.234 517 R C 2.469 178.692 176.300 -0.130 0.000 1.134 517 R CA 1.525 57.518 56.100 -0.178 0.000 0.952 517 R CB -0.724 29.485 30.300 -0.151 0.000 0.850 517 R HN 0.517 nan 8.270 nan 0.000 0.433 518 A N 0.636 123.403 122.820 -0.089 0.000 1.986 518 A HA -0.149 4.171 4.320 -0.001 0.000 0.220 518 A C 2.328 179.869 177.584 -0.072 0.000 1.171 518 A CA 1.542 53.536 52.037 -0.073 0.000 0.640 518 A CB -0.539 18.425 19.000 -0.060 0.000 0.811 518 A HN 0.140 nan 8.150 nan 0.000 0.451 519 V N -0.083 119.789 119.914 -0.071 0.000 2.270 519 V HA -0.246 3.874 4.120 -0.001 0.000 0.245 519 V C 2.567 178.619 176.094 -0.070 0.000 1.043 519 V CA 2.037 64.299 62.300 -0.063 0.000 1.014 519 V CB -0.766 31.029 31.823 -0.046 0.000 0.645 519 V HN 0.594 nan 8.190 nan 0.000 0.447 520 L N -0.227 120.942 121.223 -0.090 0.000 2.017 520 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 520 L C 2.288 179.101 176.870 -0.094 0.000 1.073 520 L CA 1.674 56.454 54.840 -0.101 0.000 0.745 520 L CB -0.758 41.202 42.059 -0.165 0.000 0.894 520 L HN 0.329 nan 8.230 nan 0.000 0.432 521 E N -0.321 119.818 120.200 -0.102 0.000 2.515 521 E HA -0.048 4.301 4.350 -0.001 0.000 0.201 521 E C 0.814 177.376 176.600 -0.063 0.000 1.071 521 E CA -0.105 56.246 56.400 -0.082 0.000 0.880 521 E CB 0.062 29.712 29.700 -0.084 0.000 0.828 521 E HN 0.246 nan 8.360 nan 0.000 0.540 522 S N 0.632 116.295 115.700 -0.063 0.000 2.617 522 S HA 0.308 4.778 4.470 -0.001 0.000 0.269 522 S C -0.070 174.499 174.600 -0.052 0.000 1.292 522 S CA -0.298 57.867 58.200 -0.057 0.000 1.010 522 S CB 0.876 64.037 63.200 -0.064 0.000 0.944 522 S HN 0.216 nan 8.310 nan 0.000 0.536 523 T N 1.087 115.613 114.554 -0.048 0.000 2.840 523 T HA 0.457 4.806 4.350 -0.001 0.000 0.317 523 T C -2.698 171.977 174.700 -0.042 0.000 1.401 523 T CA -1.149 60.925 62.100 -0.042 0.000 1.028 523 T CB 0.910 69.758 68.868 -0.034 0.000 1.317 523 T HN 0.277 nan 8.240 nan 0.000 0.495 524 P HA 0.055 nan 4.420 nan 0.000 0.221 524 P C 1.557 178.842 177.300 -0.026 0.000 1.145 524 P CA 1.163 64.242 63.100 -0.034 0.000 0.795 524 P CB -0.205 31.480 31.700 -0.026 0.000 0.775 525 A N -0.669 122.137 122.820 -0.023 0.000 1.930 525 A HA -0.074 4.246 4.320 -0.001 0.000 0.217 525 A C 1.243 178.815 177.584 -0.020 0.000 1.175 525 A CA 0.584 52.611 52.037 -0.018 0.000 0.627 525 A CB -1.162 17.828 19.000 -0.016 0.000 0.815 525 A HN 0.201 nan 8.150 nan 0.000 0.443 526 I N 2.379 122.933 120.570 -0.025 0.000 2.363 526 I HA 0.241 4.410 4.170 -0.001 0.000 0.292 526 I C -2.019 174.081 176.117 -0.030 0.000 1.075 526 I CA -2.607 58.677 61.300 -0.027 0.000 1.333 526 I CB 0.878 38.860 38.000 -0.029 0.000 1.415 526 I HN 0.116 nan 8.210 nan 0.000 0.502 527 P HA 0.056 nan 4.420 nan 0.000 0.269 527 P C -0.536 176.746 177.300 -0.029 0.000 1.209 527 P CA -0.246 62.840 63.100 -0.024 0.000 0.776 527 P CB 0.438 32.128 31.700 -0.016 0.000 0.876 528 S N 3.935 119.616 115.700 -0.032 0.000 2.555 528 S HA 0.141 4.610 4.470 -0.001 0.000 0.293 528 S C -1.630 172.955 174.600 -0.024 0.000 1.248 528 S CA -0.284 57.895 58.200 -0.035 0.000 1.096 528 S CB -0.583 62.596 63.200 -0.034 0.000 0.881 528 S HN 0.451 nan 8.310 nan 0.000 0.498 529 P HA 0.520 nan 4.420 nan 0.000 0.289 529 P C -1.192 176.095 177.300 -0.021 0.000 1.300 529 P CA -0.767 62.319 63.100 -0.023 0.000 0.828 529 P CB 0.887 32.570 31.700 -0.028 0.000 1.235 530 V N 1.609 121.510 119.914 -0.021 0.000 2.407 530 V HA 0.217 4.337 4.120 -0.001 0.000 0.291 530 V C 0.202 176.278 176.094 -0.029 0.000 1.018 530 V CA -0.760 61.526 62.300 -0.023 0.000 0.842 530 V CB 1.258 33.070 31.823 -0.018 0.000 0.996 530 V HN 0.333 nan 8.190 nan 0.000 0.426 531 I N 4.341 124.887 120.570 -0.040 0.000 2.494 531 I HA 0.277 4.447 4.170 -0.001 0.000 0.289 531 I C 0.700 176.792 176.117 -0.042 0.000 1.106 531 I CA 0.894 62.166 61.300 -0.046 0.000 1.369 531 I CB 0.029 37.990 38.000 -0.064 0.000 1.410 531 I HN 0.556 nan 8.210 nan 0.000 0.523 532 S N 6.781 122.465 115.700 -0.026 0.000 2.726 532 S HA 0.721 5.190 4.470 -0.001 0.000 0.308 532 S C -0.367 174.238 174.600 0.008 0.000 1.115 532 S CA -0.654 57.540 58.200 -0.010 0.000 0.965 532 S CB 2.867 66.067 63.200 -0.001 0.000 1.145 532 S HN 0.560 nan 8.310 nan 0.000 0.532 533 I N 1.305 121.899 120.570 0.040 0.000 2.498 533 I HA 0.488 4.658 4.170 -0.001 0.000 0.290 533 I C -0.867 175.305 176.117 0.093 0.000 1.032 533 I CA -0.473 60.880 61.300 0.087 0.000 1.073 533 I CB 0.905 39.000 38.000 0.159 0.000 1.251 533 I HN 0.653 nan 8.210 nan 0.000 0.426 534 L N 4.651 125.930 121.223 0.094 0.000 3.635 534 L HA 0.406 4.745 4.340 -0.001 0.000 0.185 534 L C 0.346 177.273 176.870 0.095 0.000 1.293 534 L CA -0.448 54.443 54.840 0.085 0.000 1.200 534 L CB -0.038 42.059 42.059 0.063 0.000 1.655 534 L HN 0.449 nan 8.230 nan 0.000 0.762 535 E N 1.787 122.039 120.200 0.087 0.000 2.341 535 E HA 0.100 4.449 4.350 -0.001 0.000 0.279 535 E C -0.608 176.050 176.600 0.098 0.000 1.395 535 E CA -0.055 56.396 56.400 0.084 0.000 1.648 535 E CB -0.013 29.729 29.700 0.070 0.000 1.524 535 E HN 0.307 nan 8.360 nan 0.000 0.462 536 N N 1.058 119.836 118.700 0.131 0.000 2.878 536 N HA -0.156 4.584 4.740 -0.001 0.000 0.247 536 N C -0.783 174.847 175.510 0.199 0.000 1.021 536 N CA 1.103 54.262 53.050 0.182 0.000 0.873 536 N CB -0.609 37.962 38.487 0.140 0.000 1.128 536 N HN 0.209 nan 8.380 nan 0.000 0.571 537 K N 0.623 121.112 120.400 0.148 0.000 2.244 537 K HA 0.452 4.771 4.320 -0.001 0.000 0.260 537 K C 0.249 176.907 176.600 0.097 0.000 0.951 537 K CA -0.555 55.803 56.287 0.118 0.000 0.826 537 K CB 1.324 33.875 32.500 0.086 0.000 1.108 537 K HN -0.014 nan 8.250 nan 0.000 0.433 538 I N 3.889 124.503 120.570 0.072 0.000 2.556 538 I HA 0.120 4.290 4.170 -0.001 0.000 0.284 538 I C 0.001 176.129 176.117 0.018 0.000 1.114 538 I CA -0.134 61.181 61.300 0.026 0.000 1.418 538 I CB 0.485 38.474 38.000 -0.019 0.000 1.394 538 I HN 0.260 nan 8.210 nan 0.000 0.552 539 V N 7.690 127.610 119.914 0.011 0.000 2.914 539 V HA 0.463 4.582 4.120 -0.001 0.000 0.314 539 V C 0.083 176.173 176.094 -0.006 0.000 1.084 539 V CA -1.001 61.304 62.300 0.008 0.000 0.963 539 V CB 2.698 34.533 31.823 0.020 0.000 1.025 539 V HN 0.601 nan 8.190 nan 0.000 0.432 540 R N 2.892 123.387 120.500 -0.009 0.000 2.278 540 R HA 0.421 4.761 4.340 -0.001 0.000 0.322 540 R C -0.636 175.658 176.300 -0.011 0.000 1.058 540 R CA -0.561 55.529 56.100 -0.016 0.000 0.991 540 R CB 0.939 31.226 30.300 -0.023 0.000 1.140 540 R HN 0.606 nan 8.270 nan 0.000 0.518 541 Q N 2.762 122.556 119.800 -0.010 0.000 2.260 541 Q HA 0.305 4.645 4.340 -0.001 0.000 0.242 541 Q C -2.259 173.735 176.000 -0.009 0.000 0.932 541 Q CA -2.144 53.655 55.803 -0.007 0.000 0.891 541 Q CB 1.154 29.890 28.738 -0.004 0.000 1.222 541 Q HN 0.274 nan 8.270 nan 0.000 0.453 542 P HA 0.111 nan 4.420 nan 0.000 0.281 542 P C 0.662 177.959 177.300 -0.005 0.000 1.252 542 P CA -0.167 62.929 63.100 -0.007 0.000 0.778 542 P CB 0.725 32.422 31.700 -0.005 0.000 0.895 543 L N 3.510 124.732 121.223 -0.003 0.000 2.043 543 L HA -0.223 4.117 4.340 -0.001 0.000 0.212 543 L C 1.915 178.790 176.870 0.007 0.000 1.075 543 L CA 1.969 56.812 54.840 0.004 0.000 0.752 543 L CB -0.401 41.666 42.059 0.013 0.000 0.891 543 L HN 0.164 nan 8.230 nan 0.000 0.432 544 V N -1.503 118.415 119.914 0.007 0.000 2.255 544 V HA -0.316 3.804 4.120 -0.001 0.000 0.247 544 V C 2.205 178.300 176.094 0.003 0.000 1.051 544 V CA 2.156 64.460 62.300 0.007 0.000 1.018 544 V CB -0.980 30.847 31.823 0.006 0.000 0.641 544 V HN 0.472 nan 8.190 nan 0.000 0.445 545 E N 0.682 120.882 120.200 -0.000 0.000 2.072 545 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 545 E C 2.479 179.076 176.600 -0.005 0.000 0.985 545 E CA 1.519 57.917 56.400 -0.002 0.000 0.801 545 E CB -0.223 29.476 29.700 -0.002 0.000 0.750 545 E HN 0.600 nan 8.360 nan 0.000 0.452 546 S N 0.345 116.041 115.700 -0.006 0.000 2.382 546 S HA -0.112 4.357 4.470 -0.001 0.000 0.228 546 S C 2.163 176.755 174.600 -0.014 0.000 1.027 546 S CA 0.759 58.953 58.200 -0.011 0.000 0.991 546 S CB -0.031 63.162 63.200 -0.011 0.000 0.823 546 S HN 0.054 nan 8.310 nan 0.000 0.469 547 V N 1.773 121.682 119.914 -0.008 0.000 2.379 547 V HA -0.117 4.003 4.120 -0.001 0.000 0.245 547 V C 2.593 178.679 176.094 -0.014 0.000 1.044 547 V CA 1.544 63.838 62.300 -0.010 0.000 1.036 547 V CB -1.116 30.709 31.823 0.004 0.000 0.664 547 V HN 0.517 nan 8.190 nan 0.000 0.453 548 A N -0.718 122.096 122.820 -0.010 0.000 1.877 548 A HA -0.285 4.035 4.320 -0.001 0.000 0.216 548 A C 2.179 179.753 177.584 -0.016 0.000 1.186 548 A CA 1.967 53.998 52.037 -0.010 0.000 0.620 548 A CB -0.500 18.497 19.000 -0.006 0.000 0.822 548 A HN 0.592 nan 8.150 nan 0.000 0.443 549 Q N -1.518 118.272 119.800 -0.016 0.000 2.084 549 Q HA -0.146 4.194 4.340 -0.001 0.000 0.202 549 Q C 2.269 178.251 176.000 -0.029 0.000 0.978 549 Q CA 1.873 57.663 55.803 -0.020 0.000 0.844 549 Q CB -0.396 28.331 28.738 -0.018 0.000 0.898 549 Q HN 0.648 nan 8.270 nan 0.000 0.426 550 T N 0.332 114.866 114.554 -0.033 0.000 2.833 550 T HA -0.128 4.221 4.350 -0.001 0.000 0.269 550 T C 1.577 176.250 174.700 -0.046 0.000 1.054 550 T CA 1.172 63.246 62.100 -0.044 0.000 1.135 550 T CB 0.049 68.887 68.868 -0.050 0.000 0.869 550 T HN 0.142 nan 8.240 nan 0.000 0.466 551 K N 0.276 120.653 120.400 -0.038 0.000 2.097 551 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 551 K C 2.548 179.133 176.600 -0.025 0.000 1.050 551 K CA 1.698 57.964 56.287 -0.034 0.000 0.938 551 K CB -0.219 32.265 32.500 -0.026 0.000 0.718 551 K HN 0.516 nan 8.250 nan 0.000 0.442 552 T N -0.848 113.691 114.554 -0.025 0.000 2.915 552 T HA -0.098 4.252 4.350 -0.001 0.000 0.269 552 T C 2.037 176.722 174.700 -0.026 0.000 1.071 552 T CA 1.165 63.251 62.100 -0.023 0.000 1.132 552 T CB -0.574 68.281 68.868 -0.021 0.000 0.878 552 T HN 0.108 nan 8.240 nan 0.000 0.479 553 V N 0.445 120.341 119.914 -0.029 0.000 2.379 553 V HA -0.041 4.079 4.120 -0.001 0.000 0.245 553 V C 2.489 178.582 176.094 -0.003 0.000 1.044 553 V CA 1.832 64.115 62.300 -0.029 0.000 1.036 553 V CB -1.213 30.579 31.823 -0.053 0.000 0.664 553 V HN 0.470 nan 8.190 nan 0.000 0.453 554 S N 1.341 117.044 115.700 0.006 0.000 2.368 554 S HA -0.053 4.417 4.470 -0.001 0.000 0.225 554 S C 2.291 176.906 174.600 0.025 0.000 1.030 554 S CA 1.720 59.942 58.200 0.037 0.000 0.999 554 S CB -0.754 62.458 63.200 0.019 0.000 0.844 554 S HN 0.983 nan 8.310 nan 0.000 0.459 555 A N 1.859 124.679 122.820 -0.001 0.000 1.877 555 A HA 0.104 4.423 4.320 -0.001 0.000 0.216 555 A C 2.413 179.978 177.584 -0.031 0.000 1.186 555 A CA 1.755 53.785 52.037 -0.012 0.000 0.620 555 A CB -1.286 17.703 19.000 -0.018 0.000 0.822 555 A HN 0.517 nan 8.150 nan 0.000 0.443 556 A N 0.303 123.099 122.820 -0.039 0.000 1.892 556 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 556 A C 2.072 179.585 177.584 -0.118 0.000 1.188 556 A CA 1.805 53.798 52.037 -0.075 0.000 0.631 556 A CB -0.639 18.329 19.000 -0.053 0.000 0.822 556 A HN 0.461 nan 8.150 nan 0.000 0.447 557 I N -0.220 120.338 120.570 -0.021 0.000 2.127 557 I HA -0.250 3.919 4.170 -0.001 0.000 0.241 557 I C 2.993 179.119 176.117 0.014 0.000 1.075 557 I CA 2.052 63.397 61.300 0.076 0.000 1.334 557 I CB -1.908 36.201 38.000 0.181 0.000 1.040 557 I HN 0.587 nan 8.210 nan 0.000 0.405 558 E N 1.278 121.489 120.200 0.018 0.000 2.160 558 E HA -0.113 4.237 4.350 -0.001 0.000 0.195 558 E C 2.168 178.744 176.600 -0.040 0.000 0.991 558 E CA 1.540 57.947 56.400 0.013 0.000 0.810 558 E CB -0.720 28.992 29.700 0.019 0.000 0.742 558 E HN 0.623 nan 8.360 nan 0.000 0.466 559 A N -0.481 122.282 122.820 -0.096 0.000 2.278 559 A HA 0.290 4.610 4.320 -0.001 0.000 0.212 559 A C 1.189 178.634 177.584 -0.233 0.000 1.213 559 A CA 0.870 52.832 52.037 -0.125 0.000 0.840 559 A CB -0.285 18.652 19.000 -0.105 0.000 0.866 559 A HN 0.424 nan 8.150 nan 0.000 0.489 560 K N -0.618 119.546 120.400 -0.393 0.000 3.130 560 K HA -0.199 4.121 4.320 -0.001 0.000 0.282 560 K C -0.451 175.524 176.600 -1.041 0.000 1.145 560 K CA 1.066 56.879 56.287 -0.791 0.000 0.831 560 K CB -1.244 31.094 32.500 -0.270 0.000 1.226 560 K HN 0.541 nan 8.250 nan 0.000 0.478 561 D N 0.159 120.119 120.400 -0.734 0.000 2.540 561 D HA 0.186 4.826 4.640 -0.001 0.000 0.251 561 D C 0.446 176.529 176.300 -0.362 0.000 1.159 561 D CA -0.650 53.092 54.000 -0.431 0.000 0.974 561 D CB -0.107 40.571 40.800 -0.203 0.000 0.996 561 D HN 0.038 nan 8.370 nan 0.000 0.512 562 F N 0.229 120.186 119.950 0.011 0.000 2.604 562 F HA 0.022 4.548 4.527 -0.001 0.000 0.298 562 F C 2.027 177.829 175.800 0.003 0.000 1.131 562 F CA 0.074 58.076 58.000 0.003 0.000 1.457 562 F CB -0.080 38.927 39.000 0.011 0.000 1.095 562 F HN 0.215 nan 8.300 nan 0.000 0.574 563 D N 0.692 121.166 120.400 0.124 0.000 2.103 563 D HA -0.151 4.489 4.640 -0.001 0.000 0.199 563 D C 2.297 178.626 176.300 0.048 0.000 0.978 563 D CA 0.951 55.006 54.000 0.090 0.000 0.829 563 D CB -0.202 40.641 40.800 0.071 0.000 0.981 563 D HN 0.198 nan 8.370 nan 0.000 0.464 564 K N 0.754 121.161 120.400 0.011 0.000 2.063 564 K HA -0.154 4.166 4.320 -0.001 0.000 0.208 564 K C 1.977 178.570 176.600 -0.011 0.000 1.048 564 K CA 1.282 57.565 56.287 -0.006 0.000 0.928 564 K CB -0.020 32.463 32.500 -0.029 0.000 0.713 564 K HN -0.007 nan 8.250 nan 0.000 0.442 565 A N 1.423 124.239 122.820 -0.007 0.000 1.858 565 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 565 A C 2.157 179.699 177.584 -0.070 0.000 1.190 565 A CA 1.386 53.408 52.037 -0.025 0.000 0.617 565 A CB -0.694 18.322 19.000 0.026 0.000 0.827 565 A HN 0.387 nan 8.150 nan 0.000 0.443 566 L N -0.659 120.546 121.223 -0.030 0.000 2.046 566 L HA -0.238 4.102 4.340 -0.001 0.000 0.208 566 L C 2.754 179.612 176.870 -0.020 0.000 1.077 566 L CA 1.895 56.705 54.840 -0.051 0.000 0.747 566 L CB -0.312 41.771 42.059 0.040 0.000 0.896 566 L HN 0.483 nan 8.230 nan 0.000 0.432 567 Q N -0.754 119.055 119.800 0.014 0.000 2.124 567 Q HA -0.207 4.133 4.340 -0.001 0.000 0.202 567 Q C 2.128 178.128 176.000 -0.000 0.000 0.977 567 Q CA 1.440 57.259 55.803 0.026 0.000 0.850 567 Q CB -0.159 28.597 28.738 0.031 0.000 0.901 567 Q HN 0.481 nan 8.270 nan 0.000 0.429 568 L N 0.399 121.603 121.223 -0.033 0.000 2.622 568 L HA -0.050 4.290 4.340 -0.001 0.000 0.233 568 L C 0.367 177.190 176.870 -0.079 0.000 1.156 568 L CA 0.234 55.046 54.840 -0.047 0.000 0.866 568 L CB 0.180 42.207 42.059 -0.053 0.000 0.980 568 L HN 0.020 nan 8.230 nan 0.000 0.448 569 R N 0.717 121.144 120.500 -0.121 0.000 2.404 569 R HA 0.176 4.516 4.340 -0.001 0.000 0.291 569 R C -0.415 175.884 176.300 -0.002 0.000 1.025 569 R CA -0.685 55.313 56.100 -0.171 0.000 0.991 569 R CB 0.724 30.711 30.300 -0.522 0.000 1.053 569 R HN 0.083 nan 8.270 nan 0.000 0.479 570 D N 1.160 121.593 120.400 0.054 0.000 2.364 570 D HA -0.089 4.551 4.640 -0.001 0.000 0.236 570 D C 0.863 177.268 176.300 0.175 0.000 1.221 570 D CA -0.264 53.802 54.000 0.110 0.000 0.891 570 D CB 0.701 41.563 40.800 0.104 0.000 1.190 570 D HN 0.151 nan 8.370 nan 0.000 0.449 571 Q N -0.137 119.751 119.800 0.147 0.000 2.181 571 Q HA -0.214 4.125 4.340 -0.001 0.000 0.205 571 Q C 1.674 177.786 176.000 0.187 0.000 0.980 571 Q CA 1.291 57.188 55.803 0.156 0.000 0.862 571 Q CB -0.299 28.512 28.738 0.122 0.000 0.905 571 Q HN 0.777 nan 8.270 nan 0.000 0.429 572 E N -0.303 120.016 120.200 0.198 0.000 2.049 572 E HA -0.207 4.142 4.350 -0.001 0.000 0.198 572 E C 1.848 178.609 176.600 0.269 0.000 1.007 572 E CA 1.049 57.582 56.400 0.220 0.000 0.809 572 E CB -0.293 29.551 29.700 0.240 0.000 0.749 572 E HN 0.347 nan 8.360 nan 0.000 0.450 573 F N 0.871 120.934 119.950 0.189 0.000 2.113 573 F HA -0.142 4.385 4.527 -0.001 0.000 0.297 573 F C 2.356 178.251 175.800 0.157 0.000 1.103 573 F CA 1.678 59.791 58.000 0.189 0.000 1.248 573 F CB -0.283 38.817 39.000 0.166 0.000 0.999 573 F HN 0.122 nan 8.300 nan 0.000 0.475 574 A N -0.094 122.980 122.820 0.422 0.000 1.858 574 A HA -0.241 4.078 4.320 -0.001 0.000 0.216 574 A C 2.229 179.956 177.584 0.238 0.000 1.190 574 A CA 2.602 54.840 52.037 0.336 0.000 0.617 574 A CB -1.632 17.518 19.000 0.249 0.000 0.827 574 A HN 0.510 nan 8.150 nan 0.000 0.443 575 T N -2.984 111.677 114.554 0.179 0.000 2.821 575 T HA -0.097 4.252 4.350 -0.001 0.000 0.267 575 T C 2.009 176.767 174.700 0.097 0.000 1.046 575 T CA 1.849 64.026 62.100 0.130 0.000 1.139 575 T CB -0.547 68.391 68.868 0.118 0.000 0.871 575 T HN 0.259 nan 8.240 nan 0.000 0.454 576 S N 0.498 116.241 115.700 0.072 0.000 2.368 576 S HA 0.008 4.477 4.470 -0.001 0.000 0.224 576 S C 1.624 176.241 174.600 0.029 0.000 1.029 576 S CA 0.895 59.094 58.200 -0.002 0.000 0.988 576 S CB -0.602 62.529 63.200 -0.114 0.000 0.838 576 S HN 0.615 nan 8.310 nan 0.000 0.462 577 Y N 2.695 122.932 120.300 -0.105 0.000 2.200 577 Y HA -0.125 4.424 4.550 -0.001 0.000 0.290 577 Y C 2.658 178.588 175.900 0.050 0.000 1.137 577 Y CA 1.699 59.764 58.100 -0.059 0.000 1.163 577 Y CB -1.006 37.435 38.460 -0.030 0.000 0.988 577 Y HN 0.342 nan 8.280 nan 0.000 0.518 578 E N 0.457 120.661 120.200 0.006 0.000 2.085 578 E HA -0.251 4.098 4.350 -0.001 0.000 0.194 578 E C 1.969 178.536 176.600 -0.055 0.000 0.994 578 E CA 1.715 58.083 56.400 -0.053 0.000 0.801 578 E CB -1.114 28.616 29.700 0.050 0.000 0.743 578 E HN 0.775 nan 8.360 nan 0.000 0.453 579 N N -1.516 117.180 118.700 -0.007 0.000 2.142 579 N HA -0.056 4.683 4.740 -0.001 0.000 0.186 579 N C 1.824 177.279 175.510 -0.091 0.000 1.023 579 N CA 1.266 54.303 53.050 -0.021 0.000 0.852 579 N CB -0.198 38.299 38.487 0.018 0.000 0.998 579 N HN 0.460 nan 8.380 nan 0.000 0.424 580 F N 1.768 121.603 119.950 -0.192 0.000 2.102 580 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 580 F C 2.019 177.651 175.800 -0.280 0.000 1.105 580 F CA 0.905 58.771 58.000 -0.224 0.000 1.239 580 F CB -0.289 38.600 39.000 -0.185 0.000 0.991 580 F HN -0.092 nan 8.300 nan 0.000 0.474 581 L N 0.101 121.144 121.223 -0.299 0.000 2.046 581 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 581 L C 2.582 179.261 176.870 -0.318 0.000 1.077 581 L CA 1.798 56.417 54.840 -0.368 0.000 0.747 581 L CB -1.329 40.487 42.059 -0.403 0.000 0.896 581 L HN 0.127 nan 8.230 nan 0.000 0.432 582 S N -1.026 114.517 115.700 -0.262 0.000 2.363 582 S HA -0.186 4.284 4.470 -0.001 0.000 0.218 582 S C 2.043 176.140 174.600 -0.838 0.000 1.035 582 S CA 1.572 59.635 58.200 -0.228 0.000 1.043 582 S CB -0.572 62.573 63.200 -0.091 0.000 0.986 582 S HN 0.238 nan 8.310 nan 0.000 0.423 583 V N 1.532 120.787 119.914 -1.098 0.000 2.317 583 V HA -0.218 3.902 4.120 -0.001 0.000 0.251 583 V C 2.573 178.149 176.094 -0.864 0.000 1.065 583 V CA 2.122 63.588 62.300 -1.391 0.000 1.049 583 V CB -1.032 30.372 31.823 -0.698 0.000 0.651 583 V HN 0.496 nan 8.190 nan 0.000 0.450 584 S N -0.164 115.128 115.700 -0.680 0.000 2.359 584 S HA -0.214 4.255 4.470 -0.001 0.000 0.224 584 S C 2.052 176.566 174.600 -0.143 0.000 1.035 584 S CA 2.039 59.982 58.200 -0.428 0.000 1.018 584 S CB -0.343 62.521 63.200 -0.560 0.000 0.876 584 S HN 0.718 nan 8.310 nan 0.000 0.448 585 K N -0.088 120.222 120.400 -0.151 0.000 2.505 585 K HA 0.132 4.451 4.320 -0.001 0.000 0.192 585 K C 1.299 178.069 176.600 0.283 0.000 1.025 585 K CA 0.517 56.850 56.287 0.078 0.000 1.086 585 K CB -0.972 31.614 32.500 0.142 0.000 0.840 585 K HN 0.585 nan 8.250 nan 0.000 0.514 586 Y N 1.654 121.961 120.300 0.012 0.000 2.274 586 Y HA -0.097 4.453 4.550 -0.001 0.000 0.290 586 Y C 1.463 177.409 175.900 0.078 0.000 1.145 586 Y CA 1.113 59.202 58.100 -0.018 0.000 1.203 586 Y CB -0.459 38.011 38.460 0.017 0.000 0.984 586 Y HN 0.456 nan 8.280 nan 0.000 0.533 587 D N -0.407 120.021 120.400 0.047 0.000 2.264 587 D HA -0.125 4.515 4.640 -0.001 0.000 0.208 587 D C 1.623 177.865 176.300 -0.097 0.000 0.966 587 D CA 0.983 54.842 54.000 -0.234 0.000 0.864 587 D CB -0.203 40.454 40.800 -0.239 0.000 0.933 587 D HN 0.214 nan 8.370 nan 0.000 0.499 588 D N 0.090 120.512 120.400 0.038 0.000 2.106 588 D HA -0.118 4.522 4.640 -0.001 0.000 0.191 588 D C 1.968 178.290 176.300 0.037 0.000 0.997 588 D CA 2.068 56.089 54.000 0.035 0.000 0.834 588 D CB -0.337 40.516 40.800 0.089 0.000 0.956 588 D HN 0.348 nan 8.370 nan 0.000 0.448 589 G N -0.956 107.911 108.800 0.112 0.000 2.159 589 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.227 589 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.227 589 G C 1.123 176.068 174.900 0.076 0.000 0.986 589 G CA 1.089 46.247 45.100 0.096 0.000 0.651 589 G HN 0.437 nan 8.290 nan 0.000 0.523 590 S N -0.889 114.851 115.700 0.067 0.000 2.453 590 S HA 0.052 4.522 4.470 -0.001 0.000 0.231 590 S C 1.768 176.290 174.600 -0.129 0.000 1.005 590 S CA 1.482 59.644 58.200 -0.064 0.000 0.949 590 S CB -0.331 62.779 63.200 -0.150 0.000 0.774 590 S HN 0.492 nan 8.310 nan 0.000 0.510 591 Y N 1.338 121.663 120.300 0.042 0.000 2.519 591 Y HA 0.345 4.894 4.550 -0.001 0.000 0.287 591 Y C 1.306 177.192 175.900 -0.024 0.000 1.128 591 Y CA -0.345 57.769 58.100 0.024 0.000 1.282 591 Y CB -0.056 38.426 38.460 0.037 0.000 1.027 591 Y HN 0.224 nan 8.280 nan 0.000 0.551 592 L N 2.387 123.669 121.223 0.099 0.000 2.578 592 L HA 0.028 4.367 4.340 -0.001 0.000 0.279 592 L C 0.101 176.963 176.870 -0.013 0.000 1.227 592 L CA 0.548 55.401 54.840 0.020 0.000 0.900 592 L CB 0.150 42.225 42.059 0.027 0.000 1.144 592 L HN 0.012 nan 8.230 nan 0.000 0.496 593 V N 4.469 124.352 119.914 -0.051 0.000 2.815 593 V HA 0.668 4.787 4.120 -0.001 0.000 0.314 593 V C -2.306 173.771 176.094 -0.028 0.000 1.064 593 V CA -2.054 60.227 62.300 -0.033 0.000 0.952 593 V CB 1.322 33.133 31.823 -0.021 0.000 1.020 593 V HN 0.707 nan 8.190 nan 0.000 0.439 594 P HA 0.074 nan 4.420 nan 0.000 0.266 594 P C 0.611 177.892 177.300 -0.032 0.000 1.193 594 P CA 0.371 63.458 63.100 -0.023 0.000 0.770 594 P CB 0.709 32.395 31.700 -0.022 0.000 0.836 595 E N 1.319 121.495 120.200 -0.040 0.000 2.136 595 E HA -0.238 4.111 4.350 -0.001 0.000 0.202 595 E C 2.050 178.609 176.600 -0.069 0.000 1.019 595 E CA 2.568 58.943 56.400 -0.041 0.000 0.819 595 E CB -0.316 29.360 29.700 -0.039 0.000 0.739 595 E HN 0.557 nan 8.360 nan 0.000 0.458 596 S N -0.077 115.535 115.700 -0.147 0.000 2.383 596 S HA -0.132 4.338 4.470 -0.001 0.000 0.229 596 S C 2.039 176.477 174.600 -0.270 0.000 1.030 596 S CA 1.276 59.265 58.200 -0.351 0.000 1.002 596 S CB -0.124 62.753 63.200 -0.538 0.000 0.829 596 S HN 0.024 nan 8.310 nan 0.000 0.467 597 S N 1.185 116.857 115.700 -0.047 0.000 2.607 597 S HA 0.176 4.646 4.470 -0.001 0.000 0.224 597 S C 0.646 175.367 174.600 0.203 0.000 0.969 597 S CA -0.076 58.206 58.200 0.137 0.000 0.927 597 S CB -0.077 63.197 63.200 0.124 0.000 0.772 597 S HN 0.448 nan 8.310 nan 0.000 0.533 598 R N 1.087 121.676 120.500 0.148 0.000 2.490 598 R HA 0.481 4.821 4.340 -0.001 0.000 0.280 598 R C -0.511 175.966 176.300 0.295 0.000 1.077 598 R CA 0.169 56.416 56.100 0.245 0.000 1.065 598 R CB 0.419 30.783 30.300 0.107 0.000 1.003 598 R HN 0.199 nan 8.270 nan 0.000 0.470 599 L N 1.229 122.703 121.223 0.418 0.000 2.257 599 L HA 0.483 4.822 4.340 -0.001 0.000 0.257 599 L C -0.433 176.560 176.870 0.204 0.000 1.033 599 L CA -1.326 53.620 54.840 0.178 0.000 0.835 599 L CB 1.422 43.445 42.059 -0.060 0.000 1.398 599 L HN 0.414 nan 8.230 nan 0.000 0.429 600 N N 1.610 120.446 118.700 0.227 0.000 2.511 600 N HA 0.465 5.204 4.740 -0.001 0.000 0.249 600 N C -1.108 174.610 175.510 0.347 0.000 0.971 600 N CA -0.327 52.968 53.050 0.409 0.000 0.938 600 N CB 1.257 40.008 38.487 0.441 0.000 1.131 600 N HN 0.327 nan 8.380 nan 0.000 0.505 601 I N 1.335 122.049 120.570 0.240 0.000 2.359 601 I HA 0.484 4.654 4.170 -0.001 0.000 0.294 601 I C 0.519 176.607 176.117 -0.049 0.000 0.987 601 I CA -1.277 60.050 61.300 0.045 0.000 1.225 601 I CB 0.735 38.711 38.000 -0.041 0.000 1.366 601 I HN 0.328 nan 8.210 nan 0.000 0.466 602 A N 7.829 130.448 122.820 -0.335 0.000 2.317 602 A HA 0.852 5.172 4.320 -0.001 0.000 0.327 602 A C -0.457 176.914 177.584 -0.355 0.000 1.178 602 A CA -0.500 51.161 52.037 -0.626 0.000 0.817 602 A CB 0.860 18.950 19.000 -1.516 0.000 1.189 602 A HN 0.633 nan 8.150 nan 0.000 0.489 603 I N 2.733 123.131 120.570 -0.286 0.000 2.436 603 I HA 0.508 4.677 4.170 -0.001 0.000 0.289 603 I C -0.669 175.295 176.117 -0.256 0.000 1.010 603 I CA -0.351 60.839 61.300 -0.184 0.000 1.098 603 I CB 1.749 39.693 38.000 -0.092 0.000 1.266 603 I HN 0.650 nan 8.210 nan 0.000 0.434 604 I N 5.037 125.485 120.570 -0.204 0.000 2.647 604 I HA 0.389 4.559 4.170 -0.001 0.000 0.295 604 I C -1.003 175.084 176.117 -0.051 0.000 1.078 604 I CA -0.452 60.688 61.300 -0.268 0.000 1.048 604 I CB 2.198 39.956 38.000 -0.402 0.000 1.239 604 I HN 0.610 nan 8.210 nan 0.000 0.421 605 H N 5.975 124.960 119.070 -0.143 0.000 2.661 605 H HA 0.423 4.979 4.556 -0.001 0.000 0.290 605 H C -1.008 174.275 175.328 -0.076 0.000 1.082 605 H CA -0.932 55.060 56.048 -0.092 0.000 1.234 605 H CB 1.322 31.032 29.762 -0.087 0.000 1.387 605 H HN 0.189 nan 8.280 nan 0.000 0.476 606 V N 3.795 123.759 119.914 0.083 0.000 2.328 606 V HA 0.621 4.741 4.120 -0.001 0.000 0.278 606 V C 0.664 176.810 176.094 0.086 0.000 1.021 606 V CA -0.120 62.232 62.300 0.087 0.000 0.838 606 V CB 0.805 32.712 31.823 0.141 0.000 0.999 606 V HN 1.118 nan 8.190 nan 0.000 0.447 607 G N 3.888 112.737 108.800 0.082 0.000 2.343 607 G HA2 0.442 4.402 3.960 -0.001 0.000 0.465 607 G HA3 0.442 4.402 3.960 -0.001 0.000 0.465 607 G C -0.348 174.581 174.900 0.050 0.000 1.282 607 G CA -0.277 44.868 45.100 0.075 0.000 0.996 607 G HN 1.198 nan 8.290 nan 0.000 0.521 608 A N 0.451 123.300 122.820 0.048 0.000 2.406 608 A HA 0.718 5.037 4.320 -0.001 0.000 0.243 608 A C -1.731 175.857 177.584 0.007 0.000 1.082 608 A CA -0.190 51.871 52.037 0.041 0.000 0.786 608 A CB -0.414 18.622 19.000 0.060 0.000 1.029 608 A HN 0.642 nan 8.150 nan 0.000 0.495 609 P HA 0.371 nan 4.420 nan 0.000 0.275 609 P C -0.373 176.896 177.300 -0.051 0.000 1.228 609 P CA 0.081 63.160 63.100 -0.035 0.000 0.786 609 P CB 0.911 32.594 31.700 -0.029 0.000 0.927 610 T N -3.046 111.454 114.554 -0.089 0.000 2.909 610 T HA 0.334 4.683 4.350 -0.001 0.000 0.299 610 T C 0.979 175.614 174.700 -0.109 0.000 1.073 610 T CA -0.473 61.569 62.100 -0.096 0.000 0.999 610 T CB 1.209 70.010 68.868 -0.112 0.000 1.098 610 T HN 0.255 nan 8.240 nan 0.000 0.477 611 S N 1.143 116.788 115.700 -0.091 0.000 2.423 611 S HA -0.022 4.448 4.470 -0.001 0.000 0.231 611 S C 2.238 176.781 174.600 -0.094 0.000 1.014 611 S CA 0.533 58.679 58.200 -0.091 0.000 0.965 611 S CB -0.835 62.322 63.200 -0.072 0.000 0.785 611 S HN 1.081 nan 8.310 nan 0.000 0.495 612 A N 1.543 124.310 122.820 -0.089 0.000 2.172 612 A HA 0.242 4.561 4.320 -0.001 0.000 0.216 612 A C 2.082 179.603 177.584 -0.106 0.000 1.154 612 A CA 0.670 52.663 52.037 -0.074 0.000 0.701 612 A CB -0.723 18.239 19.000 -0.063 0.000 0.789 612 A HN 0.539 nan 8.150 nan 0.000 0.465 613 L N -0.319 120.796 121.223 -0.180 0.000 1.976 613 L HA -0.227 4.112 4.340 -0.001 0.000 0.209 613 L C 2.403 179.155 176.870 -0.197 0.000 1.071 613 L CA 1.455 56.110 54.840 -0.308 0.000 0.746 613 L CB -0.661 41.094 42.059 -0.506 0.000 0.890 613 L HN 0.361 nan 8.230 nan 0.000 0.432 614 N N -0.364 118.241 118.700 -0.158 0.000 2.084 614 N HA -0.123 4.617 4.740 -0.001 0.000 0.190 614 N C -0.815 174.789 175.510 0.157 0.000 1.030 614 N CA 1.615 54.620 53.050 -0.074 0.000 0.849 614 N CB -1.616 36.671 38.487 -0.334 0.000 1.012 614 N HN 0.289 nan 8.380 nan 0.000 0.423 615 P HA -0.099 nan 4.420 nan 0.000 0.215 615 P C 1.145 178.524 177.300 0.131 0.000 1.153 615 P CA 1.659 64.845 63.100 0.144 0.000 0.853 615 P CB -0.055 31.700 31.700 0.091 0.000 0.788 616 A N -0.151 122.716 122.820 0.079 0.000 1.883 616 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 616 A C 2.348 180.001 177.584 0.114 0.000 1.186 616 A CA 2.674 54.752 52.037 0.069 0.000 0.624 616 A CB -1.957 17.052 19.000 0.016 0.000 0.822 616 A HN 0.223 nan 8.150 nan 0.000 0.444 617 T N -0.777 113.886 114.554 0.182 0.000 2.788 617 T HA -0.134 4.216 4.350 -0.001 0.000 0.268 617 T C 2.001 176.840 174.700 0.231 0.000 1.044 617 T CA 1.375 63.637 62.100 0.270 0.000 1.139 617 T CB -0.241 68.909 68.868 0.469 0.000 0.867 617 T HN 0.579 nan 8.240 nan 0.000 0.454 618 R N 0.843 121.513 120.500 0.282 0.000 2.088 618 R HA -0.115 4.224 4.340 -0.001 0.000 0.232 618 R C 2.342 178.673 176.300 0.052 0.000 1.136 618 R CA 1.699 57.883 56.100 0.141 0.000 0.926 618 R CB -0.742 29.688 30.300 0.217 0.000 0.837 618 R HN 0.225 nan 8.270 nan 0.000 0.429 619 V N 1.314 121.279 119.914 0.086 0.000 2.324 619 V HA -0.277 3.842 4.120 -0.001 0.000 0.250 619 V C 2.553 178.679 176.094 0.053 0.000 1.060 619 V CA 2.025 64.376 62.300 0.086 0.000 1.042 619 V CB -0.975 30.902 31.823 0.090 0.000 0.650 619 V HN 0.616 nan 8.190 nan 0.000 0.450 620 A N -0.135 122.707 122.820 0.036 0.000 1.902 620 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 620 A C 2.410 179.945 177.584 -0.081 0.000 1.181 620 A CA 2.523 54.560 52.037 -0.000 0.000 0.623 620 A CB -0.979 18.038 19.000 0.028 0.000 0.818 620 A HN 0.519 nan 8.150 nan 0.000 0.443 621 T N 0.678 115.166 114.554 -0.110 0.000 2.737 621 T HA -0.082 4.267 4.350 -0.001 0.000 0.265 621 T C 1.836 176.317 174.700 -0.365 0.000 1.038 621 T CA 1.526 63.486 62.100 -0.232 0.000 1.144 621 T CB -0.436 68.275 68.868 -0.262 0.000 0.866 621 T HN 0.382 nan 8.240 nan 0.000 0.434 622 L N 1.445 122.489 121.223 -0.299 0.000 2.017 622 L HA -0.114 4.226 4.340 -0.001 0.000 0.208 622 L C 2.794 179.358 176.870 -0.510 0.000 1.073 622 L CA 1.148 55.780 54.840 -0.346 0.000 0.745 622 L CB -0.781 41.346 42.059 0.112 0.000 0.894 622 L HN 0.288 nan 8.230 nan 0.000 0.432 623 N N 0.204 118.620 118.700 -0.473 0.000 2.069 623 N HA -0.179 4.560 4.740 -0.001 0.000 0.191 623 N C 1.864 177.064 175.510 -0.516 0.000 1.031 623 N CA 2.068 54.648 53.050 -0.783 0.000 0.852 623 N CB 0.068 38.367 38.487 -0.313 0.000 1.018 623 N HN 0.255 nan 8.380 nan 0.000 0.423 624 S N 1.188 116.714 115.700 -0.289 0.000 2.355 624 S HA 0.010 4.479 4.470 -0.001 0.000 0.222 624 S C 2.191 176.669 174.600 -0.203 0.000 1.031 624 S CA 0.624 58.757 58.200 -0.113 0.000 0.993 624 S CB -0.274 62.880 63.200 -0.077 0.000 0.859 624 S HN 0.298 nan 8.310 nan 0.000 0.453 625 L N 1.350 122.320 121.223 -0.422 0.000 2.083 625 L HA -0.128 4.211 4.340 -0.001 0.000 0.209 625 L C 2.797 179.483 176.870 -0.307 0.000 1.083 625 L CA 1.074 55.594 54.840 -0.533 0.000 0.752 625 L CB -0.747 40.635 42.059 -1.128 0.000 0.899 625 L HN 0.336 nan 8.230 nan 0.000 0.433 626 A N 0.367 123.028 122.820 -0.264 0.000 1.978 626 A HA -0.223 4.096 4.320 -0.001 0.000 0.220 626 A C 2.190 179.778 177.584 0.006 0.000 1.170 626 A CA 1.728 53.781 52.037 0.027 0.000 0.636 626 A CB -0.301 18.510 19.000 -0.315 0.000 0.810 626 A HN 0.390 nan 8.150 nan 0.000 0.448 627 K N -1.842 118.462 120.400 -0.160 0.000 2.426 627 K HA 0.286 4.606 4.320 -0.001 0.000 0.193 627 K C 1.048 177.419 176.600 -0.380 0.000 1.028 627 K CA 0.509 56.648 56.287 -0.245 0.000 1.047 627 K CB 0.120 32.405 32.500 -0.359 0.000 0.821 627 K HN 0.647 nan 8.250 nan 0.000 0.513 628 G N 1.554 110.188 108.800 -0.276 0.000 2.157 628 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.239 628 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.239 628 G C -0.243 174.547 174.900 -0.184 0.000 0.982 628 G CA -0.320 44.666 45.100 -0.189 0.000 0.650 628 G HN 0.299 nan 8.290 nan 0.000 0.527 629 H N 0.243 119.279 119.070 -0.055 0.000 2.607 629 H HA 0.471 5.027 4.556 -0.001 0.000 0.367 629 H C 0.949 176.214 175.328 -0.105 0.000 1.181 629 H CA -0.032 55.988 56.048 -0.046 0.000 1.402 629 H CB 0.538 30.274 29.762 -0.044 0.000 1.474 629 H HN 0.296 nan 8.280 nan 0.000 0.596 630 R N 0.946 121.487 120.500 0.068 0.000 2.294 630 R HA 0.370 4.709 4.340 -0.001 0.000 0.319 630 R C -0.779 175.328 176.300 -0.321 0.000 0.984 630 R CA -0.734 55.266 56.100 -0.167 0.000 0.861 630 R CB 1.249 31.507 30.300 -0.070 0.000 1.104 630 R HN 0.219 nan 8.270 nan 0.000 0.451 631 V N 4.885 124.488 119.914 -0.519 0.000 2.370 631 V HA 0.386 4.506 4.120 -0.001 0.000 0.279 631 V C -0.624 175.088 176.094 -0.638 0.000 1.029 631 V CA -0.489 61.555 62.300 -0.427 0.000 0.870 631 V CB 0.688 32.324 31.823 -0.311 0.000 0.984 631 V HN 0.528 nan 8.190 nan 0.000 0.451 632 F N 2.833 122.735 119.950 -0.080 0.000 2.477 632 F HA 0.727 5.254 4.527 -0.000 0.000 0.335 632 F C 0.424 176.104 175.800 -0.200 0.000 1.130 632 F CA -0.660 57.294 58.000 -0.077 0.000 0.948 632 F CB 1.809 40.861 39.000 0.088 0.000 1.154 632 F HN 0.520 nan 8.300 nan 0.000 0.439 633 A N 4.940 127.747 122.820 -0.022 0.000 2.253 633 A HA 0.654 4.974 4.320 -0.001 0.000 0.316 633 A C -0.286 177.206 177.584 -0.153 0.000 1.327 633 A CA -0.558 51.407 52.037 -0.119 0.000 0.917 633 A CB -0.160 18.796 19.000 -0.073 0.000 1.162 633 A HN 0.775 nan 8.150 nan 0.000 0.535 634 I N 3.632 124.054 120.570 -0.248 0.000 2.471 634 I HA 0.054 4.224 4.170 -0.001 0.000 0.294 634 I C 0.736 176.708 176.117 -0.241 0.000 1.123 634 I CA 0.301 61.446 61.300 -0.258 0.000 1.336 634 I CB 0.072 37.880 38.000 -0.320 0.000 1.430 634 I HN 0.596 nan 8.210 nan 0.000 0.533 635 R N 6.444 126.842 120.500 -0.171 0.000 2.442 635 R HA 0.164 4.503 4.340 -0.001 0.000 0.291 635 R C 0.266 176.502 176.300 -0.108 0.000 1.069 635 R CA -0.338 55.682 56.100 -0.132 0.000 1.022 635 R CB 0.224 30.476 30.300 -0.081 0.000 0.976 635 R HN 0.596 nan 8.270 nan 0.000 0.443 636 N N 1.475 120.118 118.700 -0.095 0.000 2.746 636 N HA -0.189 4.551 4.740 -0.001 0.000 0.250 636 N C 0.538 176.015 175.510 -0.054 0.000 1.055 636 N CA 1.127 54.147 53.050 -0.051 0.000 0.699 636 N CB -1.301 37.180 38.487 -0.011 0.000 0.919 636 N HN 1.090 nan 8.380 nan 0.000 0.548 637 G N 0.112 108.843 108.800 -0.115 0.000 2.578 637 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.284 637 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.284 637 G C 0.759 175.533 174.900 -0.211 0.000 1.283 637 G CA 0.535 45.534 45.100 -0.169 0.000 0.944 637 G HN 0.206 nan 8.290 nan 0.000 0.558 638 F N 1.189 121.150 119.950 0.018 0.000 2.234 638 F HA 0.176 4.703 4.527 -0.001 0.000 0.299 638 F C 3.075 178.886 175.800 0.019 0.000 1.087 638 F CA 2.105 60.118 58.000 0.022 0.000 1.340 638 F CB -0.716 38.288 39.000 0.006 0.000 1.031 638 F HN 0.599 nan 8.300 nan 0.000 0.500 639 A N 0.326 123.245 122.820 0.165 0.000 1.902 639 A HA -0.094 4.226 4.320 -0.001 0.000 0.217 639 A C 2.599 180.222 177.584 0.065 0.000 1.181 639 A CA 1.833 53.929 52.037 0.099 0.000 0.623 639 A CB -1.583 17.466 19.000 0.082 0.000 0.818 639 A HN 0.395 nan 8.150 nan 0.000 0.443 640 G N -0.441 108.393 108.800 0.057 0.000 2.418 640 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.217 640 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.217 640 G C 1.560 176.461 174.900 0.002 0.000 1.158 640 G CA 0.949 46.088 45.100 0.064 0.000 0.771 640 G HN 0.400 nan 8.290 nan 0.000 0.545 641 L N 0.082 121.284 121.223 -0.035 0.000 1.976 641 L HA -0.023 4.316 4.340 -0.001 0.000 0.209 641 L C 2.925 179.753 176.870 -0.070 0.000 1.071 641 L CA 1.525 56.303 54.840 -0.103 0.000 0.746 641 L CB -0.440 41.658 42.059 0.065 0.000 0.890 641 L HN 0.235 nan 8.230 nan 0.000 0.432 642 I N -0.139 120.497 120.570 0.111 0.000 2.099 642 I HA -0.356 3.813 4.170 -0.001 0.000 0.239 642 I C 2.724 178.879 176.117 0.064 0.000 1.066 642 I CA 1.635 63.032 61.300 0.162 0.000 1.324 642 I CB -0.307 37.767 38.000 0.123 0.000 1.037 642 I HN 0.242 nan 8.210 nan 0.000 0.401 643 R N -0.823 119.621 120.500 -0.094 0.000 2.153 643 R HA -0.017 4.322 4.340 -0.001 0.000 0.218 643 R C 1.383 177.309 176.300 -0.623 0.000 1.072 643 R CA 0.940 56.819 56.100 -0.369 0.000 0.990 643 R CB -0.041 29.959 30.300 -0.500 0.000 0.889 643 R HN 0.504 nan 8.270 nan 0.000 0.452 644 H N -2.212 116.874 119.070 0.026 0.000 3.540 644 H HA 0.213 4.768 4.556 -0.001 0.000 0.259 644 H C 0.934 176.239 175.328 -0.040 0.000 1.197 644 H CA 0.522 56.579 56.048 0.013 0.000 1.136 644 H CB 1.390 31.152 29.762 -0.000 0.000 1.605 644 H HN 0.349 nan 8.280 nan 0.000 0.657 645 G N 1.897 110.592 108.800 -0.175 0.000 2.225 645 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.267 645 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.267 645 G C 0.847 175.584 174.900 -0.271 0.000 1.024 645 G CA 0.389 45.135 45.100 -0.590 0.000 0.784 645 G HN 0.623 nan 8.290 nan 0.000 0.507 646 A N -0.241 122.492 122.820 -0.145 0.000 3.196 646 A HA 0.473 4.793 4.320 -0.001 0.000 0.275 646 A C 0.826 178.327 177.584 -0.138 0.000 2.036 646 A CA 0.835 52.824 52.037 -0.079 0.000 1.503 646 A CB -0.245 18.737 19.000 -0.029 0.000 0.918 646 A HN 1.124 nan 8.150 nan 0.000 0.599 647 V N 2.645 122.460 119.914 -0.166 0.000 2.435 647 V HA 0.540 4.659 4.120 -0.001 0.000 0.290 647 V C 0.455 176.546 176.094 -0.005 0.000 1.030 647 V CA -0.739 61.441 62.300 -0.198 0.000 0.881 647 V CB 1.577 33.010 31.823 -0.651 0.000 0.983 647 V HN 0.753 nan 8.190 nan 0.000 0.445 648 R N 3.395 123.922 120.500 0.046 0.000 2.502 648 R HA 0.387 4.727 4.340 -0.001 0.000 0.300 648 R C -0.604 175.757 176.300 0.101 0.000 0.984 648 R CA -0.558 55.593 56.100 0.085 0.000 0.882 648 R CB 1.892 32.216 30.300 0.039 0.000 1.180 648 R HN 0.913 nan 8.270 nan 0.000 0.444 649 E N 4.520 124.787 120.200 0.111 0.000 2.338 649 E HA 0.186 4.536 4.350 -0.001 0.000 0.272 649 E C -0.696 175.817 176.600 -0.145 0.000 1.029 649 E CA -0.287 56.062 56.400 -0.084 0.000 0.872 649 E CB 0.809 30.457 29.700 -0.087 0.000 1.015 649 E HN 0.443 nan 8.360 nan 0.000 0.417 650 L N 4.374 125.444 121.223 -0.255 0.000 2.325 650 L HA 0.475 4.815 4.340 -0.001 0.000 0.278 650 L C 0.184 176.877 176.870 -0.296 0.000 1.023 650 L CA -0.825 53.867 54.840 -0.248 0.000 0.811 650 L CB 1.401 43.299 42.059 -0.269 0.000 1.249 650 L HN 0.555 nan 8.230 nan 0.000 0.431 651 N N 0.653 119.199 118.700 -0.256 0.000 2.405 651 N HA 0.189 4.929 4.740 -0.001 0.000 0.285 651 N C 0.181 175.566 175.510 -0.207 0.000 1.262 651 N CA -0.603 52.307 53.050 -0.234 0.000 0.773 651 N CB 1.541 39.971 38.487 -0.095 0.000 1.490 651 N HN 0.603 nan 8.380 nan 0.000 0.486 652 W N 0.541 121.762 121.300 -0.131 0.000 2.290 652 W HA -0.160 4.500 4.660 -0.001 0.000 0.311 652 W C 2.107 178.542 176.519 -0.140 0.000 1.238 652 W CA 0.461 57.732 57.345 -0.123 0.000 1.255 652 W CB -0.264 29.151 29.460 -0.076 0.000 1.145 652 W HN 0.562 nan 8.180 nan 0.000 0.506 653 I N 0.226 120.862 120.570 0.110 0.000 2.394 653 I HA -0.253 3.917 4.170 -0.001 0.000 0.251 653 I C 1.912 177.985 176.117 -0.073 0.000 1.136 653 I CA 1.741 63.055 61.300 0.024 0.000 1.425 653 I CB -0.470 37.553 38.000 0.038 0.000 1.079 653 I HN -0.072 nan 8.210 nan 0.000 0.425 654 D N -0.235 120.075 120.400 -0.150 0.000 2.178 654 D HA -0.148 4.491 4.640 -0.001 0.000 0.201 654 D C 2.290 178.241 176.300 -0.582 0.000 0.980 654 D CA 1.178 55.029 54.000 -0.247 0.000 0.842 654 D CB -0.048 40.609 40.800 -0.238 0.000 0.948 654 D HN 0.248 nan 8.370 nan 0.000 0.472 655 V N 1.449 120.957 119.914 -0.677 0.000 2.720 655 V HA -0.151 3.969 4.120 -0.001 0.000 0.256 655 V C 0.761 176.465 176.094 -0.651 0.000 1.082 655 V CA 0.894 62.629 62.300 -0.942 0.000 1.101 655 V CB -0.353 31.186 31.823 -0.473 0.000 0.693 655 V HN 0.158 nan 8.190 nan 0.000 0.479 656 E N 1.158 121.188 120.200 -0.282 0.000 2.729 656 E HA -0.100 4.250 4.350 -0.001 0.000 0.246 656 E C 0.499 177.190 176.600 0.151 0.000 0.984 656 E CA 0.618 57.003 56.400 -0.024 0.000 0.951 656 E CB 0.043 29.753 29.700 0.016 0.000 0.914 656 E HN 0.418 nan 8.360 nan 0.000 0.509 657 D N 1.801 122.343 120.400 0.236 0.000 2.876 657 D HA -0.178 4.462 4.640 -0.001 0.000 0.196 657 D C 0.476 176.950 176.300 0.291 0.000 1.014 657 D CA 0.728 54.885 54.000 0.263 0.000 1.012 657 D CB -1.124 39.781 40.800 0.175 0.000 1.080 657 D HN 0.620 nan 8.370 nan 0.000 0.438 658 W N 1.325 122.660 121.300 0.059 0.000 2.465 658 W HA -0.051 4.609 4.660 -0.001 0.000 0.268 658 W C 2.407 178.929 176.519 0.006 0.000 1.242 658 W CA 1.385 58.744 57.345 0.023 0.000 1.248 658 W CB -1.000 28.486 29.460 0.044 0.000 1.118 658 W HN 0.478 nan 8.180 nan 0.000 0.587 659 H N -1.644 117.544 119.070 0.197 0.000 2.491 659 H HA 0.001 4.557 4.556 -0.001 0.000 0.290 659 H C 1.384 176.745 175.328 0.055 0.000 1.050 659 H CA 1.373 57.483 56.048 0.103 0.000 1.309 659 H CB -0.678 29.126 29.762 0.069 0.000 1.392 659 H HN 0.270 nan 8.280 nan 0.000 0.554 660 N N 1.090 119.454 118.700 -0.560 0.000 2.482 660 N HA -0.042 4.698 4.740 -0.001 0.000 0.179 660 N C 0.188 175.573 175.510 -0.208 0.000 1.039 660 N CA 0.754 53.544 53.050 -0.434 0.000 0.884 660 N CB 0.686 38.848 38.487 -0.542 0.000 1.113 660 N HN 0.434 nan 8.380 nan 0.000 0.440 661 T N -0.405 114.055 114.554 -0.157 0.000 2.901 661 T HA 0.450 4.799 4.350 -0.001 0.000 0.301 661 T C 0.594 175.209 174.700 -0.142 0.000 1.012 661 T CA -0.721 61.296 62.100 -0.138 0.000 1.135 661 T CB 1.644 70.422 68.868 -0.150 0.000 0.936 661 T HN 0.096 nan 8.240 nan 0.000 0.539 662 G N 0.686 109.409 108.800 -0.129 0.000 2.502 662 G HA2 0.642 4.602 3.960 -0.001 0.000 0.305 662 G HA3 0.642 4.602 3.960 -0.001 0.000 0.305 662 G C 0.657 175.473 174.900 -0.140 0.000 1.190 662 G CA -0.265 44.763 45.100 -0.120 0.000 0.933 662 G HN 1.565 nan 8.290 nan 0.000 0.503 663 G N -0.738 107.986 108.800 -0.126 0.000 2.552 663 G HA2 0.074 4.033 3.960 -0.001 0.000 0.265 663 G HA3 0.074 4.033 3.960 -0.001 0.000 0.265 663 G C 0.302 175.102 174.900 -0.166 0.000 1.234 663 G CA 0.516 45.541 45.100 -0.125 0.000 0.944 663 G HN 1.811 nan 8.290 nan 0.000 0.568 664 S N -0.821 114.794 115.700 -0.142 0.000 2.532 664 S HA 0.600 5.070 4.470 -0.001 0.000 0.299 664 S C 0.606 175.087 174.600 -0.199 0.000 1.105 664 S CA 0.064 58.190 58.200 -0.124 0.000 1.018 664 S CB 1.716 64.949 63.200 0.054 0.000 1.021 664 S HN 0.518 nan 8.310 nan 0.000 0.483 665 E N 2.930 122.907 120.200 -0.372 0.000 2.385 665 E HA 0.065 4.414 4.350 -0.001 0.000 0.194 665 E C 1.421 177.910 176.600 -0.184 0.000 1.013 665 E CA 0.649 56.817 56.400 -0.386 0.000 0.866 665 E CB 0.126 29.322 29.700 -0.839 0.000 0.832 665 E HN 0.835 nan 8.360 nan 0.000 0.500 666 I N -3.922 116.549 120.570 -0.164 0.000 4.187 666 I HA 0.405 4.575 4.170 -0.001 0.000 0.326 666 I C 0.756 176.806 176.117 -0.111 0.000 1.302 666 I CA 0.322 61.546 61.300 -0.126 0.000 1.196 666 I CB 0.835 38.715 38.000 -0.199 0.000 1.095 666 I HN -0.078 nan 8.210 nan 0.000 0.411 667 G N 1.225 109.983 108.800 -0.069 0.000 2.907 667 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.686 667 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.686 667 G C -0.510 174.393 174.900 0.005 0.000 1.115 667 G CA -0.186 44.893 45.100 -0.035 0.000 0.760 667 G HN 0.370 nan 8.290 nan 0.000 0.620 668 T N 0.798 115.368 114.554 0.028 0.000 2.848 668 T HA 0.770 5.120 4.350 -0.001 0.000 0.285 668 T C -0.073 174.645 174.700 0.030 0.000 0.995 668 T CA 0.135 62.266 62.100 0.052 0.000 0.970 668 T CB 0.981 69.882 68.868 0.055 0.000 0.976 668 T HN 1.855 nan 8.240 nan 0.000 0.441 669 N N 1.843 120.567 118.700 0.040 0.000 2.823 669 N HA 0.377 5.116 4.740 -0.001 0.000 0.251 669 N C -0.325 175.231 175.510 0.076 0.000 1.392 669 N CA -1.050 52.029 53.050 0.049 0.000 0.864 669 N CB 1.019 39.531 38.487 0.042 0.000 1.481 669 N HN 0.405 nan 8.380 nan 0.000 0.508 670 R N -0.019 120.532 120.500 0.085 0.000 2.346 670 R HA 0.173 4.512 4.340 -0.001 0.000 0.225 670 R C 0.016 176.389 176.300 0.121 0.000 0.987 670 R CA -0.101 56.065 56.100 0.110 0.000 1.106 670 R CB -0.500 29.865 30.300 0.107 0.000 1.090 670 R HN 0.712 nan 8.270 nan 0.000 0.502 671 S N 0.349 116.125 115.700 0.126 0.000 2.572 671 S HA 0.235 4.705 4.470 -0.001 0.000 0.279 671 S C 0.217 174.928 174.600 0.184 0.000 1.341 671 S CA -0.487 57.794 58.200 0.136 0.000 1.043 671 S CB 1.005 64.285 63.200 0.135 0.000 0.887 671 S HN 0.134 nan 8.310 nan 0.000 0.516 672 L N 2.358 123.639 121.223 0.098 0.000 2.330 672 L HA 0.437 4.777 4.340 -0.001 0.000 0.271 672 L C -1.399 175.338 176.870 -0.222 0.000 1.013 672 L CA -2.748 52.081 54.840 -0.017 0.000 0.816 672 L CB 2.084 44.121 42.059 -0.037 0.000 1.287 672 L HN 0.453 nan 8.230 nan 0.000 0.435 673 P HA -0.110 nan 4.420 nan 0.000 0.221 673 P C 1.310 178.384 177.300 -0.377 0.000 1.145 673 P CA 0.951 63.576 63.100 -0.791 0.000 0.795 673 P CB 0.302 31.269 31.700 -1.222 0.000 0.775 674 S N 0.544 116.080 115.700 -0.274 0.000 2.380 674 S HA -0.197 4.273 4.470 -0.001 0.000 0.229 674 S C 1.437 175.982 174.600 -0.093 0.000 1.043 674 S CA 1.894 60.002 58.200 -0.154 0.000 1.038 674 S CB -1.119 62.021 63.200 -0.100 0.000 0.872 674 S HN 0.234 nan 8.310 nan 0.000 0.456 675 D N 0.790 121.147 120.400 -0.071 0.000 2.191 675 D HA -0.081 4.559 4.640 -0.001 0.000 0.195 675 D C 0.553 176.841 176.300 -0.021 0.000 1.003 675 D CA 1.331 55.316 54.000 -0.025 0.000 0.867 675 D CB -0.066 40.738 40.800 0.006 0.000 0.926 675 D HN 0.294 nan 8.370 nan 0.000 0.450 676 D N -1.436 118.941 120.400 -0.039 0.000 2.349 676 D HA 0.014 4.654 4.640 -0.001 0.000 0.224 676 D C 0.811 177.071 176.300 -0.067 0.000 1.323 676 D CA -0.257 53.727 54.000 -0.027 0.000 0.917 676 D CB 0.243 41.047 40.800 0.006 0.000 1.524 676 D HN -0.305 nan 8.370 nan 0.000 0.505 677 M N 0.866 120.399 119.600 -0.113 0.000 2.080 677 M HA -0.011 4.469 4.480 -0.001 0.000 0.260 677 M C 2.104 178.200 176.300 -0.341 0.000 1.068 677 M CA 1.904 57.055 55.300 -0.247 0.000 1.109 677 M CB -1.129 31.316 32.600 -0.258 0.000 1.342 677 M HN 0.508 nan 8.290 nan 0.000 0.405 678 G N -0.436 108.247 108.800 -0.195 0.000 2.513 678 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.219 678 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.219 678 G C 1.496 176.374 174.900 -0.037 0.000 1.160 678 G CA 1.871 46.927 45.100 -0.072 0.000 0.767 678 G HN 0.452 nan 8.290 nan 0.000 0.571 679 T N 0.581 115.139 114.554 0.007 0.000 2.777 679 T HA -0.072 4.277 4.350 -0.001 0.000 0.266 679 T C 2.566 177.425 174.700 0.264 0.000 1.040 679 T CA 1.143 63.298 62.100 0.091 0.000 1.141 679 T CB -0.249 68.677 68.868 0.097 0.000 0.868 679 T HN 0.081 nan 8.240 nan 0.000 0.444 680 V N 1.897 121.930 119.914 0.199 0.000 2.287 680 V HA -0.190 3.930 4.120 -0.001 0.000 0.248 680 V C 2.929 179.166 176.094 0.240 0.000 1.053 680 V CA 1.806 64.275 62.300 0.282 0.000 1.027 680 V CB -1.253 30.601 31.823 0.051 0.000 0.646 680 V HN 0.531 nan 8.190 nan 0.000 0.447 681 A N -0.971 121.817 122.820 -0.053 0.000 1.933 681 A HA -0.268 4.051 4.320 -0.001 0.000 0.218 681 A C 2.158 179.684 177.584 -0.097 0.000 1.175 681 A CA 2.088 53.875 52.037 -0.417 0.000 0.628 681 A CB -0.764 17.726 19.000 -0.849 0.000 0.814 681 A HN 0.700 nan 8.150 nan 0.000 0.444 682 Y N -0.994 119.242 120.300 -0.107 0.000 2.145 682 Y HA -0.261 4.288 4.550 -0.001 0.000 0.286 682 Y C 2.127 177.977 175.900 -0.083 0.000 1.145 682 Y CA 2.058 60.072 58.100 -0.143 0.000 1.148 682 Y CB -0.510 37.800 38.460 -0.251 0.000 0.981 682 Y HN 0.332 nan 8.280 nan 0.000 0.507 683 Y N -0.898 119.569 120.300 0.278 0.000 2.242 683 Y HA -0.186 4.364 4.550 -0.000 0.000 0.291 683 Y C 2.279 178.313 175.900 0.223 0.000 1.137 683 Y CA 1.729 60.006 58.100 0.295 0.000 1.181 683 Y CB -0.973 37.764 38.460 0.461 0.000 0.989 683 Y HN 0.179 nan 8.280 nan 0.000 0.527 684 F N -0.090 119.968 119.950 0.180 0.000 2.171 684 F HA -0.289 4.238 4.527 -0.001 0.000 0.300 684 F C 2.646 178.334 175.800 -0.187 0.000 1.090 684 F CA 1.452 59.521 58.000 0.115 0.000 1.293 684 F CB -0.252 38.936 39.000 0.313 0.000 1.013 684 F HN 0.071 nan 8.300 nan 0.000 0.486 685 Q N 0.034 119.799 119.800 -0.059 0.000 2.079 685 Q HA -0.213 4.127 4.340 -0.001 0.000 0.200 685 Q C 2.205 177.967 176.000 -0.397 0.000 0.974 685 Q CA 1.233 56.891 55.803 -0.242 0.000 0.840 685 Q CB -0.023 28.562 28.738 -0.254 0.000 0.898 685 Q HN 0.340 nan 8.270 nan 0.000 0.430 686 Q N -0.428 119.088 119.800 -0.475 0.000 2.016 686 Q HA -0.162 4.178 4.340 -0.001 0.000 0.200 686 Q C 1.662 177.280 176.000 -0.637 0.000 0.978 686 Q CA 1.492 56.951 55.803 -0.573 0.000 0.833 686 Q CB -0.256 28.106 28.738 -0.627 0.000 0.895 686 Q HN 0.575 nan 8.270 nan 0.000 0.427 687 Y N 0.684 120.587 120.300 -0.663 0.000 2.583 687 Y HA 0.018 4.568 4.550 -0.001 0.000 0.293 687 Y C 0.334 175.658 175.900 -0.961 0.000 1.157 687 Y CA 0.145 57.666 58.100 -0.965 0.000 1.315 687 Y CB 0.118 37.679 38.460 -1.497 0.000 1.021 687 Y HN 0.062 nan 8.280 nan 0.000 0.536 688 K N 0.240 120.283 120.400 -0.595 0.000 3.257 688 K HA -0.211 4.109 4.320 -0.001 0.000 0.270 688 K C -1.134 175.352 176.600 -0.191 0.000 0.984 688 K CA -0.030 56.041 56.287 -0.360 0.000 0.739 688 K CB -1.972 30.342 32.500 -0.310 0.000 1.351 688 K HN 0.104 nan 8.250 nan 0.000 0.463 689 F N 0.956 120.847 119.950 -0.099 0.000 2.495 689 F HA 0.028 4.555 4.527 -0.001 0.000 0.365 689 F C 1.637 177.439 175.800 0.004 0.000 1.090 689 F CA -0.549 57.390 58.000 -0.102 0.000 1.235 689 F CB 0.466 39.279 39.000 -0.312 0.000 1.119 689 F HN 0.117 nan 8.300 nan 0.000 0.562 690 D N 1.410 121.947 120.400 0.228 0.000 2.398 690 D HA 0.228 4.867 4.640 -0.001 0.000 0.210 690 D C 0.852 177.222 176.300 0.117 0.000 1.094 690 D CA 0.351 54.445 54.000 0.156 0.000 0.839 690 D CB 0.993 41.865 40.800 0.121 0.000 0.963 690 D HN 0.632 nan 8.370 nan 0.000 0.506 691 G N 0.821 109.682 108.800 0.102 0.000 2.667 691 G HA2 0.470 4.430 3.960 -0.001 0.000 0.294 691 G HA3 0.470 4.430 3.960 -0.001 0.000 0.294 691 G C -2.266 172.636 174.900 0.005 0.000 1.467 691 G CA -0.626 44.511 45.100 0.061 0.000 0.852 691 G HN 0.036 nan 8.290 nan 0.000 0.521 692 L N 0.966 122.212 121.223 0.038 0.000 2.464 692 L HA 0.806 5.146 4.340 -0.001 0.000 0.266 692 L C -1.264 175.626 176.870 0.034 0.000 0.965 692 L CA -0.754 54.081 54.840 -0.010 0.000 0.833 692 L CB 1.869 43.978 42.059 0.085 0.000 1.296 692 L HN 0.501 nan 8.230 nan 0.000 0.405 693 I N 6.325 126.891 120.570 -0.006 0.000 2.382 693 I HA 0.397 4.567 4.170 -0.001 0.000 0.285 693 I C -0.613 175.518 176.117 0.023 0.000 1.007 693 I CA -0.410 60.906 61.300 0.027 0.000 1.142 693 I CB 1.417 39.435 38.000 0.031 0.000 1.289 693 I HN 0.479 nan 8.210 nan 0.000 0.453 694 I N 7.351 127.951 120.570 0.050 0.000 2.282 694 I HA 0.330 4.499 4.170 -0.001 0.000 0.290 694 I C -0.047 176.107 176.117 0.061 0.000 1.090 694 I CA -0.318 61.018 61.300 0.060 0.000 1.231 694 I CB 0.216 38.276 38.000 0.099 0.000 1.434 694 I HN 0.412 nan 8.210 nan 0.000 0.487 695 I N 5.775 126.393 120.570 0.080 0.000 2.352 695 I HA 0.682 4.851 4.170 -0.001 0.000 0.290 695 I C 0.932 177.055 176.117 0.010 0.000 1.036 695 I CA 0.157 61.477 61.300 0.032 0.000 1.336 695 I CB 0.811 38.810 38.000 -0.003 0.000 1.407 695 I HN 0.772 nan 8.210 nan 0.000 0.497 696 G N 3.664 112.457 108.800 -0.010 0.000 2.344 696 G HA2 0.427 4.387 3.960 -0.001 0.000 0.282 696 G HA3 0.427 4.387 3.960 -0.001 0.000 0.282 696 G C -0.548 174.358 174.900 0.009 0.000 1.281 696 G CA -0.184 44.914 45.100 -0.003 0.000 0.877 696 G HN 0.756 nan 8.290 nan 0.000 0.494 697 G N -1.232 107.596 108.800 0.047 0.000 3.022 697 G HA2 0.454 4.414 3.960 -0.001 0.000 0.157 697 G HA3 0.454 4.414 3.960 -0.001 0.000 0.157 697 G C 0.851 175.843 174.900 0.153 0.000 1.468 697 G CA 0.416 45.562 45.100 0.076 0.000 1.058 697 G HN 0.635 nan 8.290 nan 0.000 0.581 698 F N 0.496 120.497 119.950 0.085 0.000 2.216 698 F HA 0.014 4.541 4.527 -0.001 0.000 0.300 698 F C 2.695 178.648 175.800 0.255 0.000 1.085 698 F CA 1.734 59.840 58.000 0.177 0.000 1.326 698 F CB 0.280 39.351 39.000 0.119 0.000 1.027 698 F HN 0.322 nan 8.300 nan 0.000 0.497 699 E N -0.062 120.305 120.200 0.277 0.000 2.208 699 E HA -0.067 4.283 4.350 -0.001 0.000 0.193 699 E C 2.207 178.888 176.600 0.136 0.000 0.988 699 E CA 0.971 57.490 56.400 0.199 0.000 0.828 699 E CB -0.420 29.393 29.700 0.189 0.000 0.763 699 E HN 0.403 nan 8.360 nan 0.000 0.478 700 A N 0.131 123.031 122.820 0.133 0.000 1.929 700 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 700 A C 2.009 179.652 177.584 0.099 0.000 1.176 700 A CA 0.973 53.081 52.037 0.119 0.000 0.628 700 A CB -0.653 18.406 19.000 0.098 0.000 0.816 700 A HN 0.366 nan 8.150 nan 0.000 0.444 701 F N 1.442 121.341 119.950 -0.086 0.000 2.113 701 F HA -0.118 4.409 4.527 -0.000 0.000 0.297 701 F C 2.336 178.085 175.800 -0.085 0.000 1.103 701 F CA 2.264 60.177 58.000 -0.145 0.000 1.248 701 F CB -0.813 37.979 39.000 -0.346 0.000 0.999 701 F HN 0.179 nan 8.300 nan 0.000 0.475 702 T N 0.961 115.374 114.554 -0.235 0.000 2.708 702 T HA -0.170 4.180 4.350 -0.001 0.000 0.266 702 T C 2.257 176.853 174.700 -0.174 0.000 1.037 702 T CA 1.610 63.609 62.100 -0.168 0.000 1.146 702 T CB -0.951 67.958 68.868 0.068 0.000 0.865 702 T HN 0.387 nan 8.240 nan 0.000 0.435 703 A N 1.569 124.326 122.820 -0.104 0.000 1.883 703 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 703 A C 2.317 179.773 177.584 -0.214 0.000 1.186 703 A CA 1.225 53.166 52.037 -0.158 0.000 0.624 703 A CB -0.996 18.039 19.000 0.059 0.000 0.822 703 A HN 0.452 nan 8.150 nan 0.000 0.444 704 L N -1.679 119.464 121.223 -0.133 0.000 2.013 704 L HA -0.234 4.105 4.340 -0.001 0.000 0.212 704 L C 2.520 179.252 176.870 -0.230 0.000 1.073 704 L CA 2.663 57.424 54.840 -0.133 0.000 0.753 704 L CB -0.632 41.391 42.059 -0.060 0.000 0.890 704 L HN 0.673 nan 8.230 nan 0.000 0.432 705 Y N 0.872 120.894 120.300 -0.463 0.000 2.114 705 Y HA -0.292 4.257 4.550 -0.001 0.000 0.284 705 Y C 2.556 178.129 175.900 -0.545 0.000 1.143 705 Y CA 2.066 59.809 58.100 -0.594 0.000 1.135 705 Y CB -0.117 37.719 38.460 -1.041 0.000 0.980 705 Y HN 0.242 nan 8.280 nan 0.000 0.499 706 E N 0.319 120.148 120.200 -0.618 0.000 2.058 706 E HA -0.256 4.094 4.350 -0.001 0.000 0.194 706 E C 2.202 178.450 176.600 -0.587 0.000 0.997 706 E CA 1.809 57.845 56.400 -0.606 0.000 0.801 706 E CB -0.349 29.090 29.700 -0.436 0.000 0.746 706 E HN 0.526 nan 8.360 nan 0.000 0.450 707 L N 0.663 121.531 121.223 -0.591 0.000 2.046 707 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 707 L C 2.385 178.982 176.870 -0.455 0.000 1.077 707 L CA 1.371 55.784 54.840 -0.712 0.000 0.747 707 L CB -0.379 41.247 42.059 -0.721 0.000 0.896 707 L HN 0.157 nan 8.230 nan 0.000 0.432 708 D N 0.101 120.279 120.400 -0.370 0.000 2.097 708 D HA -0.199 4.440 4.640 -0.001 0.000 0.195 708 D C 2.150 178.281 176.300 -0.282 0.000 0.989 708 D CA 1.407 55.254 54.000 -0.256 0.000 0.827 708 D CB 0.130 40.789 40.800 -0.236 0.000 0.966 708 D HN 0.245 nan 8.370 nan 0.000 0.456 709 A N 0.276 122.806 122.820 -0.483 0.000 1.972 709 A HA 0.092 4.411 4.320 -0.001 0.000 0.219 709 A C 2.303 179.760 177.584 -0.211 0.000 1.169 709 A CA 1.788 53.568 52.037 -0.429 0.000 0.635 709 A CB -0.911 17.675 19.000 -0.689 0.000 0.810 709 A HN 0.341 nan 8.150 nan 0.000 0.446 710 A N -0.467 122.263 122.820 -0.150 0.000 2.168 710 A HA -0.031 4.288 4.320 -0.001 0.000 0.215 710 A C 2.003 179.755 177.584 0.280 0.000 1.152 710 A CA 0.936 53.048 52.037 0.125 0.000 0.716 710 A CB -0.461 18.662 19.000 0.204 0.000 0.794 710 A HN 0.552 nan 8.150 nan 0.000 0.465 711 R N -0.248 120.349 120.500 0.161 0.000 2.154 711 R HA -0.219 4.121 4.340 -0.001 0.000 0.248 711 R C 2.370 178.728 176.300 0.097 0.000 1.155 711 R CA 1.304 57.507 56.100 0.172 0.000 0.979 711 R CB -0.474 29.878 30.300 0.087 0.000 0.869 711 R HN 0.560 nan 8.270 nan 0.000 0.452 712 A N 1.061 123.895 122.820 0.024 0.000 1.835 712 A HA -0.249 4.070 4.320 -0.001 0.000 0.215 712 A C 2.086 179.625 177.584 -0.075 0.000 1.199 712 A CA 1.522 53.538 52.037 -0.035 0.000 0.615 712 A CB -0.547 18.417 19.000 -0.060 0.000 0.838 712 A HN 0.250 nan 8.150 nan 0.000 0.444 713 Q N -1.535 118.184 119.800 -0.136 0.000 2.124 713 Q HA -0.071 4.269 4.340 -0.001 0.000 0.202 713 Q C -0.430 175.212 176.000 -0.597 0.000 0.977 713 Q CA 1.214 56.772 55.803 -0.407 0.000 0.850 713 Q CB -0.200 28.189 28.738 -0.581 0.000 0.901 713 Q HN 0.792 nan 8.270 nan 0.000 0.429 714 Y N -0.531 119.765 120.300 -0.008 0.000 2.646 714 Y HA 0.284 4.834 4.550 -0.000 0.000 0.334 714 Y C -1.796 174.041 175.900 -0.104 0.000 1.004 714 Y CA -2.700 55.321 58.100 -0.133 0.000 1.301 714 Y CB 1.166 39.384 38.460 -0.404 0.000 1.093 714 Y HN -0.008 nan 8.280 nan 0.000 0.530 715 P HA -0.268 nan 4.420 nan 0.000 0.218 715 P C 1.669 179.040 177.300 0.119 0.000 1.150 715 P CA 1.447 64.649 63.100 0.170 0.000 0.841 715 P CB 0.574 32.441 31.700 0.279 0.000 0.784 716 I N -1.728 118.837 120.570 -0.008 0.000 2.454 716 I HA -0.199 3.970 4.170 -0.001 0.000 0.254 716 I C 1.689 177.880 176.117 0.124 0.000 1.156 716 I CA 1.259 62.550 61.300 -0.014 0.000 1.433 716 I CB -0.637 37.289 38.000 -0.123 0.000 1.082 716 I HN -0.227 nan 8.210 nan 0.000 0.432 717 F N -0.524 119.519 119.950 0.155 0.000 2.748 717 F HA 0.095 4.622 4.527 -0.001 0.000 0.299 717 F C 1.416 177.289 175.800 0.121 0.000 1.154 717 F CA 0.022 58.093 58.000 0.119 0.000 1.446 717 F CB -1.320 37.683 39.000 0.005 0.000 1.112 717 F HN 0.067 nan 8.300 nan 0.000 0.584 718 N N 1.893 120.758 118.700 0.274 0.000 3.243 718 N HA 0.101 4.841 4.740 -0.001 0.000 0.310 718 N C -0.373 175.246 175.510 0.181 0.000 1.313 718 N CA 0.032 53.201 53.050 0.198 0.000 1.204 718 N CB -0.803 37.790 38.487 0.176 0.000 1.483 718 N HN 0.319 nan 8.380 nan 0.000 0.553 719 I N -2.908 117.782 120.570 0.200 0.000 2.910 719 I HA 0.717 4.886 4.170 -0.001 0.000 0.310 719 I C -2.541 173.647 176.117 0.119 0.000 1.043 719 I CA -2.975 58.428 61.300 0.173 0.000 1.053 719 I CB 1.824 39.963 38.000 0.233 0.000 1.242 719 I HN -0.117 nan 8.210 nan 0.000 0.452 720 P HA 0.358 nan 4.420 nan 0.000 0.271 720 P C -1.157 176.217 177.300 0.123 0.000 1.220 720 P CA 0.114 63.219 63.100 0.009 0.000 0.768 720 P CB 0.609 32.228 31.700 -0.135 0.000 0.848 721 M N 2.885 122.583 119.600 0.164 0.000 2.518 721 M HA 0.545 5.024 4.480 -0.001 0.000 0.300 721 M C -0.662 175.732 176.300 0.155 0.000 1.175 721 M CA -0.513 54.880 55.300 0.154 0.000 0.890 721 M CB 2.240 34.909 32.600 0.115 0.000 1.710 721 M HN 0.473 nan 8.290 nan 0.000 0.453 722 C N -0.474 118.897 119.300 0.118 0.000 2.994 722 C HA 0.849 5.309 4.460 -0.001 0.000 0.305 722 C C -0.820 174.197 174.990 0.045 0.000 1.251 722 C CA -1.333 57.720 59.018 0.058 0.000 1.478 722 C CB 1.002 28.767 27.740 0.042 0.000 1.922 722 C HN 1.099 nan 8.230 nan 0.000 0.472 723 C N 4.294 123.607 119.300 0.023 0.000 2.281 723 C HA 0.723 5.183 4.460 -0.001 0.000 0.325 723 C C -0.299 174.692 174.990 0.001 0.000 1.282 723 C CA -0.187 58.853 59.018 0.035 0.000 1.640 723 C CB -0.274 27.511 27.740 0.076 0.000 2.288 723 C HN 1.021 nan 8.230 nan 0.000 0.507 724 L N 9.715 130.939 121.223 0.001 0.000 2.270 724 L HA 0.564 4.904 4.340 -0.001 0.000 0.286 724 L C -2.335 174.513 176.870 -0.037 0.000 1.059 724 L CA -2.453 52.372 54.840 -0.025 0.000 0.839 724 L CB 0.660 42.713 42.059 -0.009 0.000 1.221 724 L HN 0.511 nan 8.230 nan 0.000 0.431 725 P HA 0.276 nan 4.420 nan 0.000 0.270 725 P C -1.264 175.963 177.300 -0.121 0.000 1.242 725 P CA 0.018 63.067 63.100 -0.085 0.000 0.768 725 P CB 0.699 32.329 31.700 -0.116 0.000 0.820 726 A N 2.790 125.543 122.820 -0.112 0.000 2.411 726 A HA 0.705 5.025 4.320 -0.001 0.000 0.285 726 A C -0.482 177.027 177.584 -0.126 0.000 1.129 726 A CA -0.412 51.541 52.037 -0.141 0.000 0.736 726 A CB 1.113 20.035 19.000 -0.130 0.000 1.186 726 A HN 0.422 nan 8.150 nan 0.000 0.445 727 T N 1.129 115.584 114.554 -0.165 0.000 2.977 727 T HA 0.300 4.650 4.350 -0.001 0.000 0.345 727 T C 0.390 174.986 174.700 -0.173 0.000 1.562 727 T CA 0.059 62.079 62.100 -0.133 0.000 1.090 727 T CB 1.222 70.040 68.868 -0.084 0.000 1.383 727 T HN 0.619 nan 8.240 nan 0.000 0.484 728 V N 3.036 122.870 119.914 -0.133 0.000 2.453 728 V HA -0.034 4.086 4.120 -0.001 0.000 0.247 728 V C 2.557 178.579 176.094 -0.121 0.000 1.048 728 V CA 2.528 64.749 62.300 -0.132 0.000 1.049 728 V CB -0.326 31.429 31.823 -0.113 0.000 0.672 728 V HN 0.946 nan 8.190 nan 0.000 0.457 729 S N -0.544 115.091 115.700 -0.109 0.000 2.399 729 S HA -0.175 4.295 4.470 -0.001 0.000 0.231 729 S C 1.167 175.685 174.600 -0.136 0.000 1.022 729 S CA 1.094 59.237 58.200 -0.096 0.000 0.983 729 S CB -0.530 62.625 63.200 -0.075 0.000 0.803 729 S HN 0.780 nan 8.310 nan 0.000 0.480 730 N N 1.141 119.708 118.700 -0.222 0.000 2.754 730 N HA -0.169 4.571 4.740 -0.001 0.000 0.248 730 N C 0.062 175.401 175.510 -0.284 0.000 1.093 730 N CA 0.642 53.470 53.050 -0.370 0.000 0.699 730 N CB -1.018 37.029 38.487 -0.734 0.000 1.016 730 N HN 0.547 nan 8.380 nan 0.000 0.552 731 N N -0.826 117.784 118.700 -0.151 0.000 2.268 731 N HA 0.053 4.793 4.740 -0.001 0.000 0.204 731 N C -0.455 175.065 175.510 0.017 0.000 1.124 731 N CA 0.071 53.081 53.050 -0.066 0.000 0.838 731 N CB 0.365 38.828 38.487 -0.040 0.000 0.994 731 N HN 0.082 nan 8.380 nan 0.000 0.489 732 V N 2.210 122.079 119.914 -0.075 0.000 2.432 732 V HA 0.354 4.474 4.120 -0.001 0.000 0.275 732 V C -2.044 173.873 176.094 -0.296 0.000 1.043 732 V CA -1.487 60.712 62.300 -0.168 0.000 0.925 732 V CB 1.086 32.811 31.823 -0.164 0.000 0.985 732 V HN 0.087 nan 8.190 nan 0.000 0.466 733 P HA 0.360 nan 4.420 nan 0.000 0.272 733 P C 0.909 178.015 177.300 -0.323 0.000 1.223 733 P CA 0.741 63.587 63.100 -0.423 0.000 0.784 733 P CB 0.790 32.138 31.700 -0.586 0.000 0.923 734 G N -0.776 107.921 108.800 -0.171 0.000 2.175 734 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.244 734 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.244 734 G C 0.232 175.072 174.900 -0.100 0.000 0.982 734 G CA 0.300 45.338 45.100 -0.103 0.000 0.641 734 G HN 0.887 nan 8.290 nan 0.000 0.527 735 T N -1.328 113.158 114.554 -0.113 0.000 2.868 735 T HA 0.587 4.937 4.350 -0.001 0.000 0.306 735 T C 0.477 175.126 174.700 -0.086 0.000 1.224 735 T CA 0.217 62.261 62.100 -0.094 0.000 1.012 735 T CB 1.719 70.523 68.868 -0.106 0.000 1.221 735 T HN 0.079 nan 8.240 nan 0.000 0.499 736 E N 0.877 121.051 120.200 -0.044 0.000 2.415 736 E HA 0.177 4.527 4.350 -0.001 0.000 0.197 736 E C -0.843 175.743 176.600 -0.025 0.000 1.007 736 E CA 0.022 56.402 56.400 -0.034 0.000 0.890 736 E CB 0.697 30.409 29.700 0.020 0.000 0.891 736 E HN 0.510 nan 8.360 nan 0.000 0.496 737 Y N 0.863 121.071 120.300 -0.153 0.000 2.386 737 Y HA 0.228 4.778 4.550 -0.001 0.000 0.334 737 Y C -1.050 174.758 175.900 -0.152 0.000 1.002 737 Y CA -1.068 56.934 58.100 -0.164 0.000 1.068 737 Y CB 1.507 39.894 38.460 -0.122 0.000 1.203 737 Y HN -0.178 nan 8.280 nan 0.000 0.443 738 S N 6.126 121.313 115.700 -0.855 0.000 2.454 738 S HA 0.582 5.051 4.470 -0.001 0.000 0.306 738 S C -0.869 173.192 174.600 -0.898 0.000 1.100 738 S CA -0.920 56.898 58.200 -0.637 0.000 1.087 738 S CB 1.159 64.106 63.200 -0.422 0.000 1.019 738 S HN 0.725 nan 8.310 nan 0.000 0.480 739 L N 3.023 123.978 121.223 -0.447 0.000 2.525 739 L HA 0.381 4.721 4.340 -0.001 0.000 0.278 739 L C 1.611 178.341 176.870 -0.233 0.000 1.218 739 L CA 1.087 55.786 54.840 -0.236 0.000 0.878 739 L CB -0.141 41.866 42.059 -0.087 0.000 1.127 739 L HN 1.236 nan 8.230 nan 0.000 0.492 740 G N 1.203 109.917 108.800 -0.145 0.000 2.234 740 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.235 740 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.235 740 G C 1.095 175.914 174.900 -0.134 0.000 0.997 740 G CA 0.621 45.648 45.100 -0.120 0.000 0.623 740 G HN 0.736 nan 8.290 nan 0.000 0.514 741 S N 0.341 115.905 115.700 -0.226 0.000 2.387 741 S HA -0.026 4.444 4.470 -0.001 0.000 0.226 741 S C 1.683 176.238 174.600 -0.074 0.000 1.026 741 S CA 1.929 60.021 58.200 -0.179 0.000 0.972 741 S CB -0.169 62.866 63.200 -0.275 0.000 0.814 741 S HN 0.438 nan 8.310 nan 0.000 0.477 742 D N 0.972 121.411 120.400 0.065 0.000 2.144 742 D HA -0.051 4.588 4.640 -0.001 0.000 0.200 742 D C 1.895 178.174 176.300 -0.035 0.000 0.978 742 D CA 1.662 55.670 54.000 0.013 0.000 0.833 742 D CB -0.396 40.432 40.800 0.046 0.000 0.961 742 D HN 0.453 nan 8.370 nan 0.000 0.470 743 T N -0.837 113.705 114.554 -0.020 0.000 2.684 743 T HA -0.227 4.122 4.350 -0.001 0.000 0.267 743 T C 2.151 176.818 174.700 -0.054 0.000 1.036 743 T CA 1.303 63.383 62.100 -0.033 0.000 1.148 743 T CB -0.816 68.031 68.868 -0.036 0.000 0.863 743 T HN 0.377 nan 8.240 nan 0.000 0.436 744 C N 1.431 120.684 119.300 -0.078 0.000 2.413 744 C HA -0.031 4.429 4.460 -0.001 0.000 0.276 744 C C 2.529 177.454 174.990 -0.108 0.000 1.236 744 C CA 0.433 59.394 59.018 -0.096 0.000 1.735 744 C CB -1.493 26.178 27.740 -0.114 0.000 2.031 744 C HN 0.364 nan 8.230 nan 0.000 0.474 745 L N 1.687 122.821 121.223 -0.148 0.000 2.083 745 L HA -0.092 4.247 4.340 -0.001 0.000 0.209 745 L C 2.396 179.214 176.870 -0.086 0.000 1.083 745 L CA 1.771 56.504 54.840 -0.179 0.000 0.752 745 L CB -1.755 40.077 42.059 -0.379 0.000 0.899 745 L HN 0.507 nan 8.230 nan 0.000 0.433 746 N N -0.795 117.872 118.700 -0.056 0.000 2.142 746 N HA -0.133 4.606 4.740 -0.001 0.000 0.186 746 N C 1.686 177.197 175.510 0.002 0.000 1.023 746 N CA 1.766 54.811 53.050 -0.010 0.000 0.852 746 N CB -0.057 38.431 38.487 0.002 0.000 0.998 746 N HN 0.334 nan 8.380 nan 0.000 0.424 747 T N 2.127 116.675 114.554 -0.011 0.000 2.746 747 T HA -0.001 4.348 4.350 -0.001 0.000 0.267 747 T C 2.189 176.910 174.700 0.035 0.000 1.039 747 T CA 0.655 62.760 62.100 0.009 0.000 1.142 747 T CB -0.126 68.732 68.868 -0.016 0.000 0.866 747 T HN 0.131 nan 8.240 nan 0.000 0.444 748 L N 1.278 122.496 121.223 -0.009 0.000 2.027 748 L HA -0.097 4.243 4.340 -0.001 0.000 0.206 748 L C 2.962 179.869 176.870 0.061 0.000 1.074 748 L CA 1.369 56.209 54.840 -0.001 0.000 0.745 748 L CB -0.774 41.249 42.059 -0.061 0.000 0.898 748 L HN 0.337 nan 8.230 nan 0.000 0.433 749 S N 0.185 115.907 115.700 0.036 0.000 2.359 749 S HA -0.169 4.301 4.470 -0.001 0.000 0.224 749 S C 2.095 176.725 174.600 0.051 0.000 1.035 749 S CA 1.158 59.385 58.200 0.044 0.000 1.018 749 S CB -1.377 61.845 63.200 0.038 0.000 0.876 749 S HN 0.484 nan 8.310 nan 0.000 0.448 750 G N 0.358 109.191 108.800 0.054 0.000 2.421 750 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.216 750 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.216 750 G C 1.276 176.206 174.900 0.050 0.000 1.171 750 G CA 0.920 46.045 45.100 0.043 0.000 0.775 750 G HN 0.540 nan 8.290 nan 0.000 0.543 751 Y N 0.962 121.241 120.300 -0.035 0.000 2.128 751 Y HA -0.219 4.330 4.550 -0.001 0.000 0.284 751 Y C 2.891 178.751 175.900 -0.067 0.000 1.154 751 Y CA 1.622 59.695 58.100 -0.046 0.000 1.149 751 Y CB -0.478 37.960 38.460 -0.038 0.000 0.976 751 Y HN 0.252 nan 8.280 nan 0.000 0.505 752 C N 0.414 119.820 119.300 0.177 0.000 2.432 752 C HA -0.129 4.330 4.460 -0.001 0.000 0.280 752 C C 2.215 177.182 174.990 -0.038 0.000 1.353 752 C CA 0.928 59.987 59.018 0.068 0.000 1.766 752 C CB -1.036 26.756 27.740 0.087 0.000 1.924 752 C HN 0.576 nan 8.230 nan 0.000 0.509 753 D N 1.322 121.701 120.400 -0.035 0.000 2.144 753 D HA -0.051 4.589 4.640 -0.001 0.000 0.200 753 D C 2.272 178.513 176.300 -0.099 0.000 0.978 753 D CA 1.596 55.565 54.000 -0.052 0.000 0.833 753 D CB -0.412 40.370 40.800 -0.030 0.000 0.961 753 D HN 0.503 nan 8.370 nan 0.000 0.470 754 A N 0.366 123.094 122.820 -0.153 0.000 1.968 754 A HA -0.052 4.268 4.320 -0.001 0.000 0.217 754 A C 2.431 179.845 177.584 -0.285 0.000 1.169 754 A CA 0.669 52.580 52.037 -0.210 0.000 0.638 754 A CB -0.457 18.378 19.000 -0.275 0.000 0.812 754 A HN 0.116 nan 8.150 nan 0.000 0.446 755 V N 0.331 120.034 119.914 -0.351 0.000 2.244 755 V HA -0.260 3.860 4.120 -0.001 0.000 0.244 755 V C 2.414 178.251 176.094 -0.428 0.000 1.042 755 V CA 2.315 64.285 62.300 -0.550 0.000 1.006 755 V CB -0.630 30.909 31.823 -0.474 0.000 0.641 755 V HN 0.524 nan 8.190 nan 0.000 0.446 756 K N 0.125 120.407 120.400 -0.196 0.000 2.211 756 K HA -0.268 4.052 4.320 -0.001 0.000 0.204 756 K C 2.211 178.785 176.600 -0.043 0.000 1.047 756 K CA 1.779 58.027 56.287 -0.066 0.000 0.935 756 K CB -0.167 32.319 32.500 -0.024 0.000 0.728 756 K HN 0.694 nan 8.250 nan 0.000 0.452 757 Q N 0.736 120.490 119.800 -0.077 0.000 2.123 757 Q HA -0.095 4.245 4.340 -0.001 0.000 0.199 757 Q C 1.719 177.702 176.000 -0.029 0.000 0.966 757 Q CA 2.136 57.912 55.803 -0.046 0.000 0.845 757 Q CB -0.282 28.424 28.738 -0.053 0.000 0.907 757 Q HN 0.158 nan 8.270 nan 0.000 0.439 758 S N -0.531 115.128 115.700 -0.069 0.000 2.522 758 S HA 0.252 4.722 4.470 -0.001 0.000 0.227 758 S C 1.629 176.298 174.600 0.114 0.000 0.986 758 S CA 0.189 58.383 58.200 -0.011 0.000 0.929 758 S CB -0.020 63.139 63.200 -0.069 0.000 0.769 758 S HN 0.519 nan 8.310 nan 0.000 0.529 759 A N 0.798 123.696 122.820 0.130 0.000 2.370 759 A HA 0.615 4.934 4.320 -0.001 0.000 0.238 759 A C 0.755 178.448 177.584 0.183 0.000 1.289 759 A CA -0.453 51.754 52.037 0.284 0.000 0.885 759 A CB -0.102 19.113 19.000 0.357 0.000 0.961 759 A HN 0.391 nan 8.150 nan 0.000 0.499 763 R N 1.685 122.218 120.500 0.055 0.000 1.904 763 R HA 0.706 5.046 4.340 -0.001 0.000 0.178 763 R C 0.753 177.085 176.300 0.054 0.000 1.718 763 R CA 1.527 57.664 56.100 0.061 0.000 1.331 763 R CB -0.086 30.263 30.300 0.083 0.000 1.089 763 R HN 0.571 nan 8.270 nan 0.000 0.479 764 R N 0.102 120.659 120.500 0.094 0.000 2.774 764 R HA 0.598 4.937 4.340 -0.001 0.000 0.272 764 R C -0.001 176.373 176.300 0.123 0.000 1.000 764 R CA -0.166 55.959 56.100 0.042 0.000 0.906 764 R CB 0.697 30.977 30.300 -0.032 0.000 1.227 764 R HN 0.380 nan 8.270 nan 0.000 0.468 765 R N -0.558 119.974 120.500 0.053 0.000 2.196 765 R HA 0.236 4.576 4.340 -0.001 0.000 0.186 765 R C -0.042 176.385 176.300 0.212 0.000 1.163 765 R CA 0.974 57.180 56.100 0.177 0.000 1.146 765 R CB 0.962 31.333 30.300 0.119 0.000 1.113 765 R HN 0.646 nan 8.270 nan 0.000 0.513 766 T N 0.926 115.472 114.554 -0.015 0.000 2.867 766 T HA 0.476 4.825 4.350 -0.001 0.000 0.282 766 T C -0.911 173.702 174.700 -0.146 0.000 1.000 766 T CA -0.173 61.925 62.100 -0.004 0.000 1.042 766 T CB 1.264 69.997 68.868 -0.226 0.000 0.973 766 T HN -0.076 nan 8.240 nan 0.000 0.465 767 F N 1.196 121.184 119.950 0.064 0.000 2.507 767 F HA 0.496 5.022 4.527 -0.001 0.000 0.325 767 F C -0.262 175.597 175.800 0.098 0.000 1.116 767 F CA -1.031 57.009 58.000 0.068 0.000 0.930 767 F CB 1.848 40.907 39.000 0.099 0.000 1.146 767 F HN 0.203 nan 8.300 nan 0.000 0.447 768 V N 4.908 124.942 119.914 0.201 0.000 2.277 768 V HA 0.260 4.379 4.120 -0.001 0.000 0.269 768 V C -0.290 175.937 176.094 0.222 0.000 1.036 768 V CA -0.741 61.671 62.300 0.187 0.000 0.821 768 V CB 0.748 32.584 31.823 0.021 0.000 1.052 768 V HN 0.462 nan 8.190 nan 0.000 0.462 769 V N 4.422 124.493 119.914 0.262 0.000 2.432 769 V HA 0.218 4.338 4.120 -0.001 0.000 0.271 769 V C 0.551 176.734 176.094 0.148 0.000 1.046 769 V CA -0.246 62.172 62.300 0.197 0.000 0.945 769 V CB 1.334 33.269 31.823 0.186 0.000 0.992 769 V HN 0.912 nan 8.190 nan 0.000 0.471 770 E N 4.545 124.794 120.200 0.082 0.000 2.130 770 E HA 0.372 4.722 4.350 -0.001 0.000 0.284 770 E C -1.189 175.405 176.600 -0.010 0.000 1.018 770 E CA -0.418 56.023 56.400 0.068 0.000 0.817 770 E CB 1.538 31.258 29.700 0.034 0.000 1.078 770 E HN 0.482 nan 8.360 nan 0.000 0.396 771 V N 5.377 125.294 119.914 0.005 0.000 2.394 771 V HA 0.112 4.232 4.120 -0.001 0.000 0.282 771 V C -0.124 175.926 176.094 -0.074 0.000 1.031 771 V CA -0.407 61.858 62.300 -0.058 0.000 0.881 771 V CB 1.509 33.303 31.823 -0.049 0.000 0.982 771 V HN 0.730 nan 8.190 nan 0.000 0.451 772 Q N 3.622 123.351 119.800 -0.119 0.000 2.655 772 Q HA 0.388 4.728 4.340 -0.001 0.000 0.228 772 Q C 0.805 176.727 176.000 -0.130 0.000 1.186 772 Q CA -0.110 55.612 55.803 -0.134 0.000 1.004 772 Q CB 1.059 29.684 28.738 -0.187 0.000 1.242 772 Q HN 0.931 nan 8.270 nan 0.000 0.558 773 G N 1.065 109.798 108.800 -0.111 0.000 4.044 773 G HA2 0.449 4.409 3.960 -0.001 0.000 0.297 773 G HA3 0.449 4.409 3.960 -0.001 0.000 0.297 773 G C 0.657 175.505 174.900 -0.087 0.000 1.101 773 G CA 0.142 45.183 45.100 -0.099 0.000 0.884 773 G HN 0.779 nan 8.290 nan 0.000 0.538 774 G N 0.399 109.139 108.800 -0.100 0.000 2.527 774 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.268 774 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.268 774 G C 0.453 175.271 174.900 -0.136 0.000 1.175 774 G CA 0.369 45.419 45.100 -0.085 0.000 0.962 774 G HN 0.314 nan 8.290 nan 0.000 0.560 775 Y N 1.520 121.795 120.300 -0.042 0.000 2.485 775 Y HA 0.585 5.135 4.550 -0.001 0.000 0.260 775 Y C 1.629 177.536 175.900 0.012 0.000 1.173 775 Y CA 0.762 58.854 58.100 -0.012 0.000 1.252 775 Y CB 0.698 39.155 38.460 -0.007 0.000 1.123 775 Y HN 0.547 nan 8.280 nan 0.000 0.524 776 S N -0.678 115.090 115.700 0.112 0.000 2.472 776 S HA 0.489 4.959 4.470 -0.001 0.000 0.303 776 S C 1.154 175.779 174.600 0.042 0.000 1.099 776 S CA -0.315 57.958 58.200 0.121 0.000 1.077 776 S CB 1.227 64.438 63.200 0.017 0.000 1.031 776 S HN 0.419 nan 8.310 nan 0.000 0.487 777 G N 2.732 111.653 108.800 0.201 0.000 2.920 777 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.208 777 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.208 777 G C 0.769 175.502 174.900 -0.279 0.000 1.159 777 G CA 0.095 45.270 45.100 0.126 0.000 0.784 777 G HN 0.852 nan 8.290 nan 0.000 0.535 778 Y N 0.784 120.431 120.300 -1.088 0.000 2.053 778 Y HA -0.179 4.371 4.550 -0.001 0.000 0.277 778 Y C 2.394 177.975 175.900 -0.532 0.000 1.159 778 Y CA 1.587 58.893 58.100 -1.324 0.000 1.125 778 Y CB -0.213 37.526 38.460 -1.203 0.000 0.969 778 Y HN 0.115 nan 8.280 nan 0.000 0.492 779 L N -0.150 120.882 121.223 -0.319 0.000 1.971 779 L HA -0.311 4.029 4.340 -0.001 0.000 0.215 779 L C 2.714 179.439 176.870 -0.243 0.000 1.072 779 L CA 1.831 56.509 54.840 -0.271 0.000 0.758 779 L CB -1.114 40.866 42.059 -0.131 0.000 0.889 779 L HN 0.511 nan 8.230 nan 0.000 0.433 780 A N -0.948 121.770 122.820 -0.169 0.000 1.883 780 A HA -0.237 4.083 4.320 -0.001 0.000 0.217 780 A C 2.399 179.926 177.584 -0.094 0.000 1.186 780 A CA 2.274 54.253 52.037 -0.097 0.000 0.624 780 A CB -0.770 18.198 19.000 -0.053 0.000 0.822 780 A HN 0.519 nan 8.150 nan 0.000 0.444 781 S N -1.692 113.931 115.700 -0.127 0.000 2.348 781 S HA -0.173 4.296 4.470 -0.001 0.000 0.221 781 S C 1.893 176.425 174.600 -0.113 0.000 1.033 781 S CA 1.562 59.717 58.200 -0.076 0.000 1.010 781 S CB -0.622 62.594 63.200 0.027 0.000 0.891 781 S HN 0.620 nan 8.310 nan 0.000 0.442 782 Y N 2.352 122.417 120.300 -0.392 0.000 2.097 782 Y HA -0.213 4.337 4.550 -0.001 0.000 0.282 782 Y C 2.608 178.383 175.900 -0.209 0.000 1.152 782 Y CA 0.969 58.848 58.100 -0.369 0.000 1.136 782 Y CB -1.095 36.971 38.460 -0.657 0.000 0.975 782 Y HN 0.217 nan 8.280 nan 0.000 0.498 783 A N -0.181 122.668 122.820 0.049 0.000 1.917 783 A HA -0.197 4.122 4.320 -0.001 0.000 0.219 783 A C 2.561 180.158 177.584 0.021 0.000 1.182 783 A CA 2.031 54.084 52.037 0.025 0.000 0.633 783 A CB -1.716 17.264 19.000 -0.034 0.000 0.819 783 A HN 0.591 nan 8.150 nan 0.000 0.448 784 G N -0.161 108.633 108.800 -0.010 0.000 2.459 784 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.217 784 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.217 784 G C 1.559 176.438 174.900 -0.035 0.000 1.183 784 G CA 1.257 46.340 45.100 -0.027 0.000 0.776 784 G HN 0.583 nan 8.290 nan 0.000 0.552 785 L N 1.315 122.511 121.223 -0.044 0.000 1.990 785 L HA -0.099 4.241 4.340 -0.001 0.000 0.213 785 L C 2.740 179.590 176.870 -0.033 0.000 1.072 785 L CA 2.257 57.060 54.840 -0.061 0.000 0.755 785 L CB -0.370 41.633 42.059 -0.094 0.000 0.889 785 L HN 0.478 nan 8.230 nan 0.000 0.432 786 I N -3.148 117.438 120.570 0.027 0.000 3.001 786 I HA -0.088 4.081 4.170 -0.001 0.000 0.268 786 I C 1.752 177.882 176.117 0.022 0.000 1.267 786 I CA 1.415 62.748 61.300 0.054 0.000 1.472 786 I CB -0.842 37.254 38.000 0.160 0.000 1.089 786 I HN 0.442 nan 8.210 nan 0.000 0.468 787 T N -2.750 111.810 114.554 0.010 0.000 3.023 787 T HA 0.412 4.762 4.350 -0.001 0.000 0.253 787 T C 1.468 176.158 174.700 -0.016 0.000 1.038 787 T CA 0.275 62.378 62.100 0.005 0.000 0.962 787 T CB 0.153 69.036 68.868 0.026 0.000 1.018 787 T HN 0.698 nan 8.240 nan 0.000 0.521 788 G N 1.764 110.540 108.800 -0.039 0.000 2.272 788 G HA2 0.026 3.986 3.960 -0.001 0.000 0.280 788 G HA3 0.026 3.986 3.960 -0.001 0.000 0.280 788 G C 0.231 175.101 174.900 -0.050 0.000 1.067 788 G CA -0.130 44.932 45.100 -0.064 0.000 0.902 788 G HN 1.185 nan 8.290 nan 0.000 0.500 789 A N -0.631 122.161 122.820 -0.046 0.000 2.462 789 A HA 0.698 5.017 4.320 -0.001 0.000 0.243 789 A C 1.545 179.045 177.584 -0.140 0.000 1.076 789 A CA 0.368 52.372 52.037 -0.055 0.000 0.773 789 A CB 0.422 19.398 19.000 -0.040 0.000 1.010 789 A HN 0.709 nan 8.150 nan 0.000 0.493 790 L N 1.296 122.384 121.223 -0.224 0.000 1.973 790 L HA 0.002 4.342 4.340 -0.001 0.000 0.208 790 L C 1.504 178.082 176.870 -0.487 0.000 1.073 790 L CA 1.655 56.289 54.840 -0.343 0.000 0.746 790 L CB -0.294 41.506 42.059 -0.430 0.000 0.891 790 L HN 0.816 nan 8.230 nan 0.000 0.433 791 A N -0.961 121.360 122.820 -0.831 0.000 2.355 791 A HA 0.632 4.952 4.320 -0.001 0.000 0.324 791 A C -1.140 176.146 177.584 -0.497 0.000 1.117 791 A CA -0.351 51.256 52.037 -0.717 0.000 0.785 791 A CB 1.805 20.253 19.000 -0.919 0.000 1.254 791 A HN -0.064 nan 8.150 nan 0.000 0.453 792 V N 2.162 121.808 119.914 -0.445 0.000 2.483 792 V HA 0.331 4.450 4.120 -0.001 0.000 0.297 792 V C -1.507 174.370 176.094 -0.361 0.000 1.027 792 V CA -0.345 61.799 62.300 -0.260 0.000 0.855 792 V CB 1.062 32.804 31.823 -0.134 0.000 0.995 792 V HN 0.764 nan 8.190 nan 0.000 0.424 793 Y N 3.081 123.347 120.300 -0.057 0.000 2.341 793 Y HA 0.621 5.171 4.550 -0.001 0.000 0.340 793 Y C 0.878 176.665 175.900 -0.188 0.000 0.997 793 Y CA -0.447 57.563 58.100 -0.150 0.000 1.149 793 Y CB 1.755 40.034 38.460 -0.302 0.000 1.171 793 Y HN 0.726 nan 8.280 nan 0.000 0.494 794 T N 0.391 114.950 114.554 0.008 0.000 2.903 794 T HA 0.342 4.692 4.350 -0.001 0.000 0.299 794 T C -2.379 172.348 174.700 0.046 0.000 1.093 794 T CA -2.429 59.686 62.100 0.025 0.000 1.002 794 T CB 2.403 71.323 68.868 0.086 0.000 1.127 794 T HN 0.219 nan 8.240 nan 0.000 0.488 795 P HA -0.022 nan 4.420 nan 0.000 0.220 795 P C 0.873 178.211 177.300 0.064 0.000 1.148 795 P CA 1.024 64.166 63.100 0.070 0.000 0.803 795 P CB 0.211 31.972 31.700 0.102 0.000 0.782 796 E N -0.031 120.222 120.200 0.088 0.000 2.150 796 E HA -0.087 4.263 4.350 -0.001 0.000 0.193 796 E C 0.213 176.830 176.600 0.028 0.000 0.985 796 E CA 0.882 57.318 56.400 0.061 0.000 0.814 796 E CB -0.625 29.133 29.700 0.097 0.000 0.752 796 E HN 0.413 nan 8.360 nan 0.000 0.466 797 N N 0.664 119.383 118.700 0.032 0.000 2.372 797 N HA 0.290 5.029 4.740 -0.001 0.000 0.291 797 N C -2.738 172.786 175.510 0.023 0.000 1.024 797 N CA -1.658 51.398 53.050 0.010 0.000 0.873 797 N CB 1.521 40.001 38.487 -0.012 0.000 1.206 797 N HN -0.178 nan 8.380 nan 0.000 0.486 798 P HA 0.175 nan 4.420 nan 0.000 0.268 798 P C -0.719 176.601 177.300 0.033 0.000 1.205 798 P CA 0.076 63.196 63.100 0.033 0.000 0.771 798 P CB 0.599 32.312 31.700 0.022 0.000 0.858 799 I N 3.016 123.618 120.570 0.054 0.000 2.389 799 I HA 0.438 4.607 4.170 -0.001 0.000 0.288 799 I C 0.373 176.386 176.117 -0.173 0.000 0.999 799 I CA -0.327 60.961 61.300 -0.020 0.000 1.129 799 I CB 1.317 39.371 38.000 0.090 0.000 1.288 799 I HN 0.463 nan 8.210 nan 0.000 0.444 800 N N 4.504 123.004 118.700 -0.334 0.000 3.039 800 N HA 0.435 5.175 4.740 -0.001 0.000 0.257 800 N C 0.076 175.402 175.510 -0.306 0.000 1.497 800 N CA -0.997 51.880 53.050 -0.289 0.000 0.861 800 N CB 0.946 39.422 38.487 -0.018 0.000 1.479 800 N HN 0.330 nan 8.380 nan 0.000 0.547 801 L N -1.295 119.887 121.223 -0.068 0.000 2.081 801 L HA -0.187 4.152 4.340 -0.001 0.000 0.212 801 L C 2.444 179.306 176.870 -0.013 0.000 1.080 801 L CA 1.662 56.503 54.840 0.001 0.000 0.754 801 L CB -0.496 41.609 42.059 0.078 0.000 0.893 801 L HN 0.725 nan 8.230 nan 0.000 0.433 802 Q N 0.128 119.920 119.800 -0.014 0.000 2.049 802 Q HA -0.164 4.176 4.340 -0.001 0.000 0.198 802 Q C 2.268 178.259 176.000 -0.014 0.000 0.971 802 Q CA 2.556 58.356 55.803 -0.006 0.000 0.833 802 Q CB -0.447 28.291 28.738 -0.001 0.000 0.896 802 Q HN 0.557 nan 8.270 nan 0.000 0.434 803 T N -2.126 112.406 114.554 -0.037 0.000 2.684 803 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 803 T C 1.864 176.570 174.700 0.010 0.000 1.036 803 T CA 1.649 63.734 62.100 -0.025 0.000 1.148 803 T CB -0.925 67.922 68.868 -0.035 0.000 0.863 803 T HN 0.076 nan 8.240 nan 0.000 0.436 804 V N 1.944 121.846 119.914 -0.021 0.000 2.295 804 V HA -0.220 3.900 4.120 -0.001 0.000 0.246 804 V C 3.025 179.167 176.094 0.080 0.000 1.049 804 V CA 2.211 64.537 62.300 0.043 0.000 1.024 804 V CB -0.953 30.835 31.823 -0.059 0.000 0.648 804 V HN 0.541 nan 8.190 nan 0.000 0.447 805 Q N -0.512 119.316 119.800 0.047 0.000 2.096 805 Q HA -0.263 4.077 4.340 -0.001 0.000 0.204 805 Q C 2.321 178.359 176.000 0.064 0.000 0.982 805 Q CA 2.023 57.861 55.803 0.057 0.000 0.850 805 Q CB -0.159 28.602 28.738 0.039 0.000 0.901 805 Q HN 0.706 nan 8.270 nan 0.000 0.422 806 E N 0.346 120.574 120.200 0.048 0.000 2.051 806 E HA -0.186 4.164 4.350 -0.001 0.000 0.192 806 E C 1.679 178.314 176.600 0.059 0.000 0.991 806 E CA 1.167 57.590 56.400 0.037 0.000 0.799 806 E CB 0.039 29.745 29.700 0.010 0.000 0.748 806 E HN 0.356 nan 8.360 nan 0.000 0.449 807 D N 0.813 121.270 120.400 0.095 0.000 2.104 807 D HA -0.172 4.467 4.640 -0.001 0.000 0.194 807 D C 2.002 178.449 176.300 0.244 0.000 0.994 807 D CA 0.904 55.005 54.000 0.168 0.000 0.830 807 D CB -0.134 40.866 40.800 0.333 0.000 0.959 807 D HN 0.143 nan 8.370 nan 0.000 0.452 808 I N 1.319 122.014 120.570 0.209 0.000 2.179 808 I HA -0.210 3.960 4.170 -0.001 0.000 0.242 808 I C 2.469 178.691 176.117 0.175 0.000 1.088 808 I CA 0.990 62.405 61.300 0.192 0.000 1.357 808 I CB -1.108 36.988 38.000 0.159 0.000 1.051 808 I HN 0.128 nan 8.210 nan 0.000 0.409 809 E N 0.934 121.210 120.200 0.127 0.000 2.085 809 E HA -0.273 4.077 4.350 -0.001 0.000 0.194 809 E C 2.296 178.954 176.600 0.097 0.000 0.994 809 E CA 1.343 57.803 56.400 0.100 0.000 0.801 809 E CB -0.059 29.678 29.700 0.062 0.000 0.743 809 E HN 0.281 nan 8.360 nan 0.000 0.453 810 L N 0.880 122.153 121.223 0.083 0.000 1.994 810 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 810 L C 2.372 179.306 176.870 0.107 0.000 1.071 810 L CA 1.601 56.476 54.840 0.058 0.000 0.745 810 L CB -0.862 41.202 42.059 0.008 0.000 0.892 810 L HN 0.301 nan 8.230 nan 0.000 0.431 811 L N -0.854 120.467 121.223 0.163 0.000 2.042 811 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 811 L C 2.321 179.338 176.870 0.245 0.000 1.076 811 L CA 2.558 57.517 54.840 0.199 0.000 0.749 811 L CB -1.064 41.081 42.059 0.143 0.000 0.893 811 L HN 0.401 nan 8.230 nan 0.000 0.432 812 T N -0.692 114.016 114.554 0.258 0.000 2.674 812 T HA -0.233 4.117 4.350 -0.001 0.000 0.265 812 T C 2.047 176.893 174.700 0.243 0.000 1.039 812 T CA 1.717 64.014 62.100 0.328 0.000 1.150 812 T CB -0.307 68.717 68.868 0.260 0.000 0.864 812 T HN 0.309 nan 8.240 nan 0.000 0.427 813 R N 0.216 120.807 120.500 0.152 0.000 2.152 813 R HA -0.087 4.253 4.340 -0.001 0.000 0.232 813 R C 2.483 178.835 176.300 0.086 0.000 1.117 813 R CA 1.372 57.526 56.100 0.090 0.000 0.981 813 R CB -0.330 29.990 30.300 0.033 0.000 0.870 813 R HN 0.325 nan 8.270 nan 0.000 0.451 814 T N -0.487 114.138 114.554 0.117 0.000 2.732 814 T HA -0.131 4.219 4.350 -0.001 0.000 0.261 814 T C 1.302 176.055 174.700 0.088 0.000 1.040 814 T CA 1.247 63.398 62.100 0.086 0.000 1.145 814 T CB -0.352 68.569 68.868 0.089 0.000 0.866 814 T HN 0.279 nan 8.240 nan 0.000 0.427 815 Y N 2.176 122.541 120.300 0.109 0.000 2.274 815 Y HA -0.086 4.464 4.550 -0.001 0.000 0.290 815 Y C 1.973 177.945 175.900 0.120 0.000 1.145 815 Y CA 1.034 59.217 58.100 0.138 0.000 1.203 815 Y CB -0.140 38.457 38.460 0.228 0.000 0.984 815 Y HN 0.422 nan 8.280 nan 0.000 0.533 816 E N -0.027 120.313 120.200 0.233 0.000 2.422 816 E HA 0.062 4.411 4.350 -0.001 0.000 0.267 816 E C 0.121 176.771 176.600 0.084 0.000 1.466 816 E CA 0.281 56.768 56.400 0.145 0.000 1.767 816 E CB -0.003 29.770 29.700 0.122 0.000 1.471 816 E HN 0.549 nan 8.360 nan 0.000 0.446 817 E N -0.003 120.240 120.200 0.071 0.000 2.662 817 E HA 0.027 4.377 4.350 -0.001 0.000 0.205 817 E C 0.190 176.813 176.600 0.039 0.000 1.003 817 E CA 0.510 56.935 56.400 0.042 0.000 1.685 817 E CB 0.187 29.903 29.700 0.027 0.000 2.386 817 E HN 0.435 nan 8.360 nan 0.000 1.092 818 D N 1.194 121.607 120.400 0.022 0.000 2.449 818 D HA 0.418 5.058 4.640 -0.001 0.000 0.236 818 D C -0.084 176.234 176.300 0.030 0.000 1.149 818 D CA 1.038 55.036 54.000 -0.002 0.000 0.878 818 D CB 0.157 40.900 40.800 -0.094 0.000 1.198 818 D HN 0.296 nan 8.370 nan 0.000 0.446 824 S N -0.214 115.485 115.700 -0.001 0.000 2.823 824 S HA 1.017 5.487 4.470 -0.001 0.000 0.316 824 S C 0.324 174.937 174.600 0.022 0.000 1.116 824 S CA -0.474 57.715 58.200 -0.018 0.000 0.911 824 S CB 2.120 65.296 63.200 -0.040 0.000 1.276 824 S HN 2.388 nan 8.310 nan 0.000 0.565 825 G N 1.451 110.272 108.800 0.035 0.000 3.393 825 G HA2 0.088 4.048 3.960 -0.001 0.000 0.676 825 G HA3 0.088 4.048 3.960 -0.001 0.000 0.676 825 G C -1.504 173.478 174.900 0.138 0.000 1.224 825 G CA -0.920 44.264 45.100 0.141 0.000 1.109 825 G HN 0.275 nan 8.290 nan 0.000 0.519 826 K N 0.821 121.361 120.400 0.233 0.000 2.118 826 K HA 0.842 5.162 4.320 -0.001 0.000 0.254 826 K C 0.627 177.423 176.600 0.326 0.000 0.961 826 K CA -0.892 55.537 56.287 0.237 0.000 0.876 826 K CB 1.975 34.626 32.500 0.252 0.000 1.077 826 K HN 1.116 nan 8.250 nan 0.000 0.440 827 I N -1.991 118.754 120.570 0.291 0.000 2.785 827 I HA 0.619 4.788 4.170 -0.001 0.000 0.302 827 I C -1.122 175.242 176.117 0.411 0.000 1.069 827 I CA -0.831 60.683 61.300 0.358 0.000 1.045 827 I CB 1.537 39.681 38.000 0.241 0.000 1.236 827 I HN 0.147 nan 8.210 nan 0.000 0.429 828 F N 5.004 125.051 119.950 0.161 0.000 2.520 828 F HA 0.627 5.153 4.527 -0.001 0.000 0.322 828 F C -0.258 175.663 175.800 0.202 0.000 1.103 828 F CA -0.857 57.252 58.000 0.182 0.000 0.926 828 F CB 2.043 41.209 39.000 0.276 0.000 1.154 828 F HN 0.320 nan 8.300 nan 0.000 0.453 829 I N 3.993 124.736 120.570 0.289 0.000 2.328 829 I HA 0.186 4.356 4.170 -0.001 0.000 0.287 829 I C -0.568 175.738 176.117 0.315 0.000 1.012 829 I CA -0.391 61.048 61.300 0.231 0.000 1.195 829 I CB 0.781 38.839 38.000 0.096 0.000 1.350 829 I HN 0.485 nan 8.210 nan 0.000 0.464 830 H N 6.623 125.835 119.070 0.236 0.000 2.581 830 H HA 0.251 4.806 4.556 -0.001 0.000 0.308 830 H C -0.675 174.712 175.328 0.098 0.000 1.040 830 H CA -0.665 55.517 56.048 0.224 0.000 1.231 830 H CB 1.217 31.060 29.762 0.135 0.000 1.396 830 H HN 0.510 nan 8.280 nan 0.000 0.467 831 N N 3.837 122.498 118.700 -0.065 0.000 2.452 831 N HA -0.095 4.644 4.740 -0.001 0.000 0.266 831 N C 1.519 177.039 175.510 0.016 0.000 1.175 831 N CA -0.017 53.010 53.050 -0.038 0.000 0.945 831 N CB 0.736 39.180 38.487 -0.072 0.000 1.063 831 N HN 0.690 nan 8.380 nan 0.000 0.472 832 E N 2.909 123.131 120.200 0.037 0.000 2.197 832 E HA -0.299 4.050 4.350 -0.001 0.000 0.205 832 E C -0.290 176.288 176.600 -0.037 0.000 1.029 832 E CA 1.637 58.052 56.400 0.024 0.000 0.828 832 E CB -0.005 29.667 29.700 -0.047 0.000 0.737 832 E HN 0.384 nan 8.360 nan 0.000 0.464 833 K N -0.274 120.036 120.400 -0.151 0.000 2.526 833 K HA 0.421 4.740 4.320 -0.001 0.000 0.214 833 K C 0.025 176.537 176.600 -0.146 0.000 1.088 833 K CA 0.415 56.542 56.287 -0.265 0.000 1.058 833 K CB 0.961 33.012 32.500 -0.749 0.000 1.653 833 K HN 0.238 nan 8.250 nan 0.000 0.521 834 A N -0.173 122.619 122.820 -0.046 0.000 1.988 834 A HA 0.281 4.600 4.320 -0.001 0.000 0.198 834 A C 0.366 177.989 177.584 0.065 0.000 1.507 834 A CA 0.171 52.193 52.037 -0.025 0.000 0.901 834 A CB 0.540 19.434 19.000 -0.176 0.000 1.007 834 A HN 0.329 nan 8.150 nan 0.000 0.502 835 S N -0.934 114.839 115.700 0.121 0.000 2.546 835 S HA 0.409 4.878 4.470 -0.001 0.000 0.272 835 S C 0.140 174.806 174.600 0.109 0.000 1.140 835 S CA 0.002 58.294 58.200 0.155 0.000 0.920 835 S CB 1.498 64.856 63.200 0.263 0.000 1.083 835 S HN 0.438 nan 8.310 nan 0.000 0.476 836 K N 2.532 122.973 120.400 0.069 0.000 2.459 836 K HA 0.225 4.544 4.320 -0.001 0.000 0.193 836 K C 0.755 177.337 176.600 -0.031 0.000 1.030 836 K CA 0.694 56.997 56.287 0.026 0.000 1.026 836 K CB 0.047 32.567 32.500 0.033 0.000 0.809 836 K HN 0.321 nan 8.250 nan 0.000 0.504 837 V N -0.091 119.781 119.914 -0.071 0.000 2.695 837 V HA 0.028 4.148 4.120 -0.001 0.000 0.230 837 V C 0.345 176.266 176.094 -0.289 0.000 1.110 837 V CA 0.218 62.361 62.300 -0.262 0.000 1.159 837 V CB -0.396 31.145 31.823 -0.470 0.000 0.875 837 V HN 0.133 nan 8.190 nan 0.000 0.502 838 Y N 3.416 123.725 120.300 0.014 0.000 2.570 838 Y HA 0.365 4.915 4.550 -0.001 0.000 0.336 838 Y C 1.149 177.055 175.900 0.009 0.000 1.284 838 Y CA -0.435 57.658 58.100 -0.012 0.000 1.761 838 Y CB -0.980 37.485 38.460 0.009 0.000 1.724 838 Y HN 0.338 nan 8.280 nan 0.000 0.455 839 T N -3.419 111.113 114.554 -0.037 0.000 2.824 839 T HA 0.104 4.453 4.350 -0.001 0.000 0.277 839 T C 1.465 175.774 174.700 -0.651 0.000 0.975 839 T CA -0.438 61.528 62.100 -0.222 0.000 0.966 839 T CB 1.165 69.949 68.868 -0.140 0.000 1.054 839 T HN 0.453 nan 8.240 nan 0.000 0.533 840 T N 0.870 114.868 114.554 -0.926 0.000 2.699 840 T HA -0.133 4.217 4.350 -0.001 0.000 0.268 840 T C 1.445 175.938 174.700 -0.345 0.000 1.036 840 T CA 1.870 63.550 62.100 -0.699 0.000 1.147 840 T CB -0.622 68.035 68.868 -0.352 0.000 0.862 840 T HN 0.668 nan 8.240 nan 0.000 0.446 841 D N 0.530 120.783 120.400 -0.245 0.000 2.117 841 D HA -0.020 4.620 4.640 -0.001 0.000 0.197 841 D C 1.962 178.175 176.300 -0.145 0.000 0.987 841 D CA 0.513 54.419 54.000 -0.156 0.000 0.829 841 D CB -0.437 40.296 40.800 -0.112 0.000 0.961 841 D HN 0.174 nan 8.370 nan 0.000 0.460 842 L N 0.564 121.697 121.223 -0.149 0.000 2.072 842 L HA -0.084 4.255 4.340 -0.001 0.000 0.205 842 L C 1.947 178.763 176.870 -0.091 0.000 1.079 842 L CA 1.181 55.961 54.840 -0.099 0.000 0.752 842 L CB -0.414 41.597 42.059 -0.080 0.000 0.906 842 L HN -0.031 nan 8.230 nan 0.000 0.436 843 I N 0.248 120.725 120.570 -0.154 0.000 2.127 843 I HA -0.305 3.865 4.170 -0.001 0.000 0.241 843 I C 2.691 178.699 176.117 -0.183 0.000 1.075 843 I CA 1.603 62.797 61.300 -0.177 0.000 1.334 843 I CB -1.858 35.938 38.000 -0.339 0.000 1.040 843 I HN 0.362 nan 8.210 nan 0.000 0.405 844 A N 0.874 123.575 122.820 -0.199 0.000 1.908 844 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 844 A C 2.560 180.061 177.584 -0.140 0.000 1.181 844 A CA 2.200 54.123 52.037 -0.190 0.000 0.627 844 A CB -0.823 18.078 19.000 -0.165 0.000 0.818 844 A HN 0.450 nan 8.150 nan 0.000 0.445 845 A N -0.417 122.340 122.820 -0.106 0.000 1.972 845 A HA -0.049 4.271 4.320 -0.001 0.000 0.219 845 A C 2.105 179.660 177.584 -0.049 0.000 1.169 845 A CA 1.506 53.499 52.037 -0.073 0.000 0.635 845 A CB -0.524 18.439 19.000 -0.063 0.000 0.810 845 A HN 0.512 nan 8.150 nan 0.000 0.446 846 I N -0.654 119.891 120.570 -0.041 0.000 2.286 846 I HA -0.185 3.985 4.170 -0.001 0.000 0.245 846 I C 2.206 178.326 176.117 0.004 0.000 1.104 846 I CA 0.939 62.236 61.300 -0.005 0.000 1.397 846 I CB -0.212 37.804 38.000 0.026 0.000 1.072 846 I HN 0.281 nan 8.210 nan 0.000 0.417 847 I N 0.656 121.202 120.570 -0.040 0.000 2.226 847 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 847 I C 2.663 178.850 176.117 0.117 0.000 1.100 847 I CA 1.661 62.953 61.300 -0.013 0.000 1.374 847 I CB -0.875 36.974 38.000 -0.253 0.000 1.057 847 I HN 0.257 nan 8.210 nan 0.000 0.413 848 G N 0.008 108.818 108.800 0.017 0.000 2.459 848 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.217 848 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.217 848 G C 1.555 176.445 174.900 -0.018 0.000 1.183 848 G CA 0.820 45.924 45.100 0.006 0.000 0.776 848 G HN 0.409 nan 8.290 nan 0.000 0.552 849 E N 0.431 120.618 120.200 -0.021 0.000 2.418 849 E HA 0.247 4.597 4.350 -0.001 0.000 0.197 849 E C 1.462 178.036 176.600 -0.043 0.000 1.026 849 E CA 0.028 56.406 56.400 -0.036 0.000 0.862 849 E CB -0.079 29.607 29.700 -0.023 0.000 0.799 849 E HN 0.410 nan 8.360 nan 0.000 0.518 850 A N 0.030 122.847 122.820 -0.006 0.000 2.477 850 A HA 0.417 4.737 4.320 -0.001 0.000 0.246 850 A C 1.038 178.498 177.584 -0.206 0.000 1.078 850 A CA 0.478 52.516 52.037 0.003 0.000 0.770 850 A CB -0.048 19.070 19.000 0.196 0.000 1.011 850 A HN 0.339 nan 8.150 nan 0.000 0.494 851 G N 0.039 108.735 108.800 -0.173 0.000 2.198 851 G HA2 0.203 4.163 3.960 -0.001 0.000 0.257 851 G HA3 0.203 4.163 3.960 -0.001 0.000 0.257 851 G C 0.913 175.683 174.900 -0.217 0.000 1.042 851 G CA 1.162 46.114 45.100 -0.247 0.000 0.791 851 G HN 2.586 nan 8.290 nan 0.000 0.502 852 K N -1.293 119.022 120.400 -0.141 0.000 3.035 852 K HA 0.347 4.666 4.320 -0.001 0.000 0.262 852 K C 2.108 178.628 176.600 -0.132 0.000 1.024 852 K CA 1.889 58.111 56.287 -0.109 0.000 0.748 852 K CB -2.065 30.386 32.500 -0.083 0.000 1.247 852 K HN 2.885 nan 8.250 nan 0.000 0.482 853 G N -1.172 107.526 108.800 -0.171 0.000 2.545 853 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.279 853 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.279 853 G C 0.452 175.194 174.900 -0.263 0.000 1.131 853 G CA 0.963 45.955 45.100 -0.179 0.000 1.100 853 G HN 1.129 nan 8.290 nan 0.000 0.525 854 R N -0.587 119.617 120.500 -0.493 0.000 2.064 854 R HA 0.360 4.700 4.340 -0.001 0.000 0.221 854 R C 0.941 176.895 176.300 -0.578 0.000 1.136 854 R CA 1.460 57.169 56.100 -0.650 0.000 0.980 854 R CB 0.033 29.707 30.300 -1.042 0.000 0.876 854 R HN 0.543 nan 8.270 nan 0.000 0.437 855 F N -0.098 119.745 119.950 -0.179 0.000 2.575 855 F HA 0.481 5.008 4.527 -0.001 0.000 0.330 855 F C -0.517 175.174 175.800 -0.182 0.000 1.056 855 F CA -1.469 56.391 58.000 -0.233 0.000 0.964 855 F CB 0.699 39.439 39.000 -0.434 0.000 1.258 855 F HN -0.265 nan 8.300 nan 0.000 0.484 856 E N 1.557 121.788 120.200 0.052 0.000 2.046 856 E HA 0.251 4.601 4.350 -0.001 0.000 0.279 856 E C -0.723 175.806 176.600 -0.119 0.000 0.989 856 E CA -0.325 56.054 56.400 -0.036 0.000 0.798 856 E CB 1.485 31.158 29.700 -0.045 0.000 1.086 856 E HN 0.711 nan 8.360 nan 0.000 0.399 857 S N 4.345 119.964 115.700 -0.135 0.000 2.562 857 S HA 0.547 5.016 4.470 -0.001 0.000 0.275 857 S C 0.116 174.527 174.600 -0.316 0.000 1.281 857 S CA -0.878 57.177 58.200 -0.242 0.000 1.045 857 S CB 1.682 64.767 63.200 -0.191 0.000 0.962 857 S HN 0.304 nan 8.310 nan 0.000 0.503 858 R N 1.317 121.520 120.500 -0.496 0.000 2.725 858 R HA 0.525 4.865 4.340 -0.001 0.000 0.277 858 R C -0.561 175.587 176.300 -0.253 0.000 0.987 858 R CA -0.552 55.261 56.100 -0.478 0.000 0.901 858 R CB 1.794 31.566 30.300 -0.880 0.000 1.207 858 R HN 0.945 nan 8.270 nan 0.000 0.463 859 T N -1.447 113.072 114.554 -0.058 0.000 2.928 859 T HA 0.816 5.166 4.350 -0.001 0.000 0.284 859 T C -0.130 174.693 174.700 0.205 0.000 1.008 859 T CA -0.786 61.348 62.100 0.057 0.000 1.057 859 T CB 1.879 70.747 68.868 -0.000 0.000 1.018 859 T HN 0.586 nan 8.240 nan 0.000 0.493 860 A N 1.702 124.667 122.820 0.242 0.000 2.381 860 A HA 0.656 4.976 4.320 -0.001 0.000 0.299 860 A C -0.716 176.958 177.584 0.149 0.000 1.049 860 A CA -0.877 51.331 52.037 0.285 0.000 0.715 860 A CB 1.539 20.787 19.000 0.413 0.000 1.222 860 A HN 1.010 nan 8.150 nan 0.000 0.428 861 V N 3.681 123.657 119.914 0.104 0.000 2.315 861 V HA 0.269 4.389 4.120 -0.001 0.000 0.265 861 V C -1.810 174.224 176.094 -0.099 0.000 1.019 861 V CA -0.982 61.311 62.300 -0.011 0.000 0.824 861 V CB 0.543 32.367 31.823 0.002 0.000 1.072 861 V HN 0.761 nan 8.190 nan 0.000 0.448 862 P HA -0.060 nan 4.420 nan 0.000 0.215 862 P C 1.361 178.529 177.300 -0.220 0.000 1.157 862 P CA 2.082 64.847 63.100 -0.558 0.000 0.874 862 P CB 0.100 31.220 31.700 -0.967 0.000 0.790 863 G N -0.474 108.201 108.800 -0.209 0.000 2.561 863 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.289 863 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.289 863 G C 0.723 175.494 174.900 -0.215 0.000 1.169 863 G CA 0.826 45.819 45.100 -0.178 0.000 0.980 863 G HN 0.374 nan 8.290 nan 0.000 0.550 864 H N -0.077 118.959 119.070 -0.056 0.000 2.560 864 H HA 0.225 4.781 4.556 -0.001 0.000 0.283 864 H C 2.429 177.728 175.328 -0.049 0.000 1.028 864 H CA 0.993 57.013 56.048 -0.048 0.000 1.221 864 H CB 0.050 29.792 29.762 -0.033 0.000 1.363 864 H HN 0.323 nan 8.280 nan 0.000 0.594 865 V N 0.219 120.143 119.914 0.016 0.000 2.970 865 V HA -0.202 3.918 4.120 -0.001 0.000 0.260 865 V C 1.756 177.826 176.094 -0.040 0.000 1.100 865 V CA 1.365 63.666 62.300 0.002 0.000 1.122 865 V CB -0.198 31.639 31.823 0.022 0.000 0.721 865 V HN 0.512 nan 8.190 nan 0.000 0.483 866 Q N -0.289 119.456 119.800 -0.091 0.000 2.248 866 Q HA -0.262 4.078 4.340 -0.001 0.000 0.208 866 Q C 2.234 178.186 176.000 -0.080 0.000 0.984 866 Q CA 1.912 57.649 55.803 -0.110 0.000 0.875 866 Q CB -0.083 28.564 28.738 -0.152 0.000 0.910 866 Q HN 0.809 nan 8.270 nan 0.000 0.433 867 Q N -0.353 119.414 119.800 -0.056 0.000 2.291 867 Q HA 0.031 4.370 4.340 -0.001 0.000 0.205 867 Q C 0.861 176.832 176.000 -0.049 0.000 0.970 867 Q CA 0.932 56.705 55.803 -0.051 0.000 0.876 867 Q CB -0.165 28.553 28.738 -0.035 0.000 0.935 867 Q HN 0.220 nan 8.270 nan 0.000 0.455 868 G N 1.607 110.385 108.800 -0.037 0.000 2.787 868 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.685 868 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.685 868 G C -0.212 174.665 174.900 -0.038 0.000 1.437 868 G CA 0.105 45.185 45.100 -0.033 0.000 0.872 868 G HN 0.233 nan 8.290 nan 0.000 0.566 869 K N -0.407 119.970 120.400 -0.037 0.000 2.067 869 K HA 0.274 4.594 4.320 -0.001 0.000 0.203 869 K C 1.177 177.736 176.600 -0.067 0.000 1.048 869 K CA 1.511 57.768 56.287 -0.049 0.000 0.954 869 K CB -0.000 32.474 32.500 -0.043 0.000 0.737 869 K HN 0.511 nan 8.250 nan 0.000 0.444 870 S N 1.521 117.179 115.700 -0.070 0.000 2.513 870 S HA 0.408 4.878 4.470 -0.001 0.000 0.299 870 S C -2.755 171.808 174.600 -0.061 0.000 1.087 870 S CA -1.435 56.717 58.200 -0.081 0.000 1.012 870 S CB 1.946 65.085 63.200 -0.101 0.000 1.044 870 S HN 0.113 nan 8.310 nan 0.000 0.485 871 P HA 0.112 nan 4.420 nan 0.000 0.269 871 P C -0.011 177.279 177.300 -0.017 0.000 1.209 871 P CA -0.215 62.865 63.100 -0.033 0.000 0.776 871 P CB 0.421 32.106 31.700 -0.024 0.000 0.876 872 S N 1.246 116.944 115.700 -0.002 0.000 2.596 872 S HA 0.030 4.500 4.470 -0.001 0.000 0.260 872 S C 1.642 176.258 174.600 0.027 0.000 1.336 872 S CA 0.322 58.531 58.200 0.014 0.000 0.993 872 S CB -0.158 63.054 63.200 0.019 0.000 0.923 872 S HN 0.542 nan 8.310 nan 0.000 0.567 873 S N 1.202 116.932 115.700 0.050 0.000 2.382 873 S HA -0.106 4.363 4.470 -0.001 0.000 0.228 873 S C 1.812 176.448 174.600 0.060 0.000 1.027 873 S CA 1.081 59.316 58.200 0.058 0.000 0.991 873 S CB -1.040 62.213 63.200 0.089 0.000 0.823 873 S HN 0.687 nan 8.310 nan 0.000 0.469 874 I N 2.328 122.922 120.570 0.041 0.000 2.208 874 I HA -0.193 3.977 4.170 -0.001 0.000 0.245 874 I C 2.326 178.413 176.117 -0.050 0.000 1.097 874 I CA 1.656 62.909 61.300 -0.080 0.000 1.363 874 I CB -0.384 37.441 38.000 -0.292 0.000 1.051 874 I HN 0.240 nan 8.210 nan 0.000 0.413 875 D N 0.454 120.867 120.400 0.021 0.000 2.117 875 D HA -0.129 4.510 4.640 -0.001 0.000 0.198 875 D C 2.370 178.700 176.300 0.050 0.000 0.982 875 D CA 1.139 55.184 54.000 0.076 0.000 0.828 875 D CB -0.112 40.726 40.800 0.063 0.000 0.967 875 D HN 0.245 nan 8.370 nan 0.000 0.464 876 R N 0.227 120.748 120.500 0.034 0.000 2.073 876 R HA -0.074 4.266 4.340 -0.001 0.000 0.234 876 R C 2.453 178.771 176.300 0.030 0.000 1.134 876 R CA 0.718 56.842 56.100 0.039 0.000 0.952 876 R CB -0.438 29.888 30.300 0.044 0.000 0.850 876 R HN 0.043 nan 8.270 nan 0.000 0.433 877 V N 1.745 121.666 119.914 0.011 0.000 2.295 877 V HA -0.263 3.857 4.120 -0.001 0.000 0.246 877 V C 1.821 177.918 176.094 0.006 0.000 1.049 877 V CA 1.795 64.093 62.300 -0.005 0.000 1.024 877 V CB -0.486 31.324 31.823 -0.021 0.000 0.648 877 V HN 0.370 nan 8.190 nan 0.000 0.447 878 N N 0.333 119.035 118.700 0.002 0.000 2.188 878 N HA -0.091 4.649 4.740 -0.001 0.000 0.184 878 N C 1.903 177.440 175.510 0.045 0.000 1.018 878 N CA 1.533 54.593 53.050 0.017 0.000 0.858 878 N CB -0.428 38.067 38.487 0.013 0.000 0.989 878 N HN 0.478 nan 8.380 nan 0.000 0.426 879 A N 0.509 123.360 122.820 0.052 0.000 1.940 879 A HA -0.193 4.126 4.320 -0.001 0.000 0.219 879 A C 2.714 180.327 177.584 0.049 0.000 1.176 879 A CA 1.598 53.663 52.037 0.047 0.000 0.631 879 A CB -1.120 17.907 19.000 0.044 0.000 0.814 879 A HN 0.510 nan 8.150 nan 0.000 0.446 880 C N -0.851 118.477 119.300 0.047 0.000 2.476 880 C HA 0.029 4.489 4.460 -0.001 0.000 0.278 880 C C 2.756 177.778 174.990 0.053 0.000 1.274 880 C CA 1.282 60.330 59.018 0.049 0.000 1.713 880 C CB -1.159 26.602 27.740 0.035 0.000 2.039 880 C HN 0.695 nan 8.230 nan 0.000 0.484 881 R N 0.227 120.753 120.500 0.045 0.000 2.080 881 R HA -0.106 4.234 4.340 -0.001 0.000 0.236 881 R C 2.222 178.555 176.300 0.056 0.000 1.137 881 R CA 2.176 58.306 56.100 0.051 0.000 0.943 881 R CB -0.469 29.853 30.300 0.037 0.000 0.846 881 R HN 0.602 nan 8.270 nan 0.000 0.431 882 L N 0.144 121.390 121.223 0.038 0.000 2.093 882 L HA -0.046 4.294 4.340 -0.001 0.000 0.208 882 L C 2.740 179.636 176.870 0.043 0.000 1.085 882 L CA 1.126 55.978 54.840 0.020 0.000 0.755 882 L CB -0.495 41.563 42.059 -0.001 0.000 0.904 882 L HN 0.340 nan 8.230 nan 0.000 0.435 883 A N 0.356 123.209 122.820 0.055 0.000 1.902 883 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 883 A C 2.255 179.892 177.584 0.089 0.000 1.181 883 A CA 1.592 53.669 52.037 0.066 0.000 0.623 883 A CB -0.691 18.349 19.000 0.067 0.000 0.818 883 A HN 0.327 nan 8.150 nan 0.000 0.443 884 I N -0.483 120.149 120.570 0.103 0.000 2.208 884 I HA -0.263 3.906 4.170 -0.001 0.000 0.245 884 I C 2.322 178.537 176.117 0.165 0.000 1.097 884 I CA 1.365 62.744 61.300 0.132 0.000 1.363 884 I CB -0.097 37.988 38.000 0.142 0.000 1.051 884 I HN 0.172 nan 8.210 nan 0.000 0.413 885 K N -0.077 120.426 120.400 0.171 0.000 2.155 885 K HA -0.088 4.232 4.320 -0.001 0.000 0.203 885 K C 2.201 179.002 176.600 0.334 0.000 1.052 885 K CA 1.036 57.482 56.287 0.265 0.000 0.948 885 K CB -0.604 32.019 32.500 0.204 0.000 0.728 885 K HN 0.406 nan 8.250 nan 0.000 0.448 886 C N 0.582 120.008 119.300 0.210 0.000 2.442 886 C HA -0.160 4.300 4.460 -0.001 0.000 0.279 886 C C 3.019 178.164 174.990 0.259 0.000 1.237 886 C CA 0.545 59.694 59.018 0.218 0.000 1.722 886 C CB -0.912 26.898 27.740 0.118 0.000 2.056 886 C HN 0.517 nan 8.230 nan 0.000 0.469 887 C N 0.898 120.302 119.300 0.172 0.000 2.413 887 C HA -0.120 4.340 4.460 -0.001 0.000 0.276 887 C C 2.477 177.567 174.990 0.167 0.000 1.248 887 C CA 1.251 60.346 59.018 0.129 0.000 1.742 887 C CB -1.773 26.006 27.740 0.066 0.000 2.017 887 C HN 0.645 nan 8.230 nan 0.000 0.481 888 N N 0.330 119.156 118.700 0.211 0.000 2.149 888 N HA -0.109 4.630 4.740 -0.001 0.000 0.188 888 N C 1.352 177.011 175.510 0.247 0.000 1.019 888 N CA 1.177 54.355 53.050 0.213 0.000 0.857 888 N CB -0.557 38.066 38.487 0.227 0.000 0.997 888 N HN 0.625 nan 8.380 nan 0.000 0.426 889 F N 1.707 121.779 119.950 0.203 0.000 2.053 889 F HA -0.001 4.526 4.527 -0.001 0.000 0.292 889 F C 2.121 178.071 175.800 0.250 0.000 1.125 889 F CA 0.993 59.133 58.000 0.233 0.000 1.193 889 F CB -0.478 38.694 39.000 0.286 0.000 0.996 889 F HN -0.001 nan 8.300 nan 0.000 0.470 890 I N -0.743 119.972 120.570 0.241 0.000 2.208 890 I HA -0.216 3.953 4.170 -0.001 0.000 0.245 890 I C 1.458 177.592 176.117 0.028 0.000 1.097 890 I CA 1.947 63.300 61.300 0.089 0.000 1.363 890 I CB -0.971 37.115 38.000 0.143 0.000 1.051 890 I HN 0.188 nan 8.210 nan 0.000 0.413 891 E N 1.220 121.436 120.200 0.027 0.000 2.494 891 E HA -0.009 4.341 4.350 -0.001 0.000 0.193 891 E C 0.173 176.788 176.600 0.025 0.000 1.074 891 E CA -0.107 56.272 56.400 -0.035 0.000 0.867 891 E CB -0.188 29.472 29.700 -0.067 0.000 0.924 891 E HN 0.444 nan 8.360 nan 0.000 0.502 892 D N 0.344 120.763 120.400 0.031 0.000 2.425 892 D HA 0.005 4.645 4.640 -0.001 0.000 0.247 892 D C 0.921 177.164 176.300 -0.095 0.000 1.147 892 D CA 0.076 54.045 54.000 -0.051 0.000 0.879 892 D CB 1.250 41.954 40.800 -0.160 0.000 1.179 892 D HN 0.109 nan 8.370 nan 0.000 0.456 893 A N 5.014 127.778 122.820 -0.094 0.000 2.019 893 A HA -0.212 4.108 4.320 -0.001 0.000 0.219 893 A C 1.878 179.367 177.584 -0.159 0.000 1.164 893 A CA 0.954 52.944 52.037 -0.078 0.000 0.644 893 A CB -0.239 18.737 19.000 -0.040 0.000 0.805 893 A HN 0.673 nan 8.150 nan 0.000 0.449 894 N N -0.568 117.937 118.700 -0.324 0.000 2.166 894 N HA -0.130 4.609 4.740 -0.001 0.000 0.186 894 N C 0.778 176.049 175.510 -0.398 0.000 1.019 894 N CA 1.406 54.194 53.050 -0.437 0.000 0.856 894 N CB -0.384 37.689 38.487 -0.689 0.000 0.993 894 N HN 0.532 nan 8.380 nan 0.000 0.426 895 F N 0.806 120.683 119.950 -0.123 0.000 2.765 895 F HA 0.245 4.772 4.527 -0.001 0.000 0.302 895 F C 0.989 176.744 175.800 -0.076 0.000 1.111 895 F CA 0.086 58.013 58.000 -0.122 0.000 1.359 895 F CB -0.049 38.815 39.000 -0.227 0.000 1.097 895 F HN -0.211 nan 8.300 nan 0.000 0.577 896 Q N 0.235 120.061 119.800 0.043 0.000 2.257 896 Q HA 0.345 4.684 4.340 -0.001 0.000 0.262 896 Q C -0.039 175.936 176.000 -0.042 0.000 0.997 896 Q CA -0.779 55.036 55.803 0.020 0.000 0.873 896 Q CB 2.755 31.505 28.738 0.020 0.000 1.312 896 Q HN -0.159 nan 8.270 nan 0.000 0.450 897 V N 2.423 122.293 119.914 -0.073 0.000 2.644 897 V HA -0.144 3.976 4.120 -0.001 0.000 0.305 897 V C 0.375 176.255 176.094 -0.356 0.000 1.053 897 V CA 0.537 62.738 62.300 -0.164 0.000 1.186 897 V CB -0.176 31.551 31.823 -0.161 0.000 0.895 897 V HN 0.511 nan 8.190 nan 0.000 0.490 898 K N 4.398 124.641 120.400 -0.261 0.000 2.297 898 K HA 0.243 4.562 4.320 -0.001 0.000 0.286 898 K C 0.938 177.344 176.600 -0.324 0.000 1.053 898 K CA -0.092 56.044 56.287 -0.252 0.000 0.940 898 K CB 0.315 32.750 32.500 -0.109 0.000 1.019 898 K HN 0.588 nan 8.250 nan 0.000 0.475 899 H N 0.894 119.945 119.070 -0.032 0.000 2.535 899 H HA 0.052 4.608 4.556 -0.001 0.000 0.273 899 H C -0.221 175.076 175.328 -0.052 0.000 0.983 899 H CA 0.510 56.533 56.048 -0.042 0.000 1.238 899 H CB 0.499 30.244 29.762 -0.028 0.000 1.412 899 H HN 0.429 nan 8.280 nan 0.000 0.562 900 N N 1.405 120.117 118.700 0.020 0.000 3.322 900 N HA 0.370 5.110 4.740 -0.001 0.000 0.290 900 N C -0.601 174.879 175.510 -0.051 0.000 1.297 900 N CA 0.078 53.123 53.050 -0.007 0.000 1.167 900 N CB 0.904 39.390 38.487 -0.002 0.000 1.434 900 N HN 0.208 nan 8.380 nan 0.000 0.526 901 A N 0.952 123.721 122.820 -0.085 0.000 2.574 901 A HA 0.361 4.681 4.320 -0.001 0.000 0.297 901 A C -0.546 176.930 177.584 -0.181 0.000 1.062 901 A CA -0.924 51.016 52.037 -0.162 0.000 0.686 901 A CB 0.949 19.803 19.000 -0.244 0.000 1.285 901 A HN 0.240 nan 8.150 nan 0.000 0.403 902 N N 1.852 120.427 118.700 -0.209 0.000 3.027 902 N HA 0.167 4.907 4.740 -0.001 0.000 0.309 902 N C -0.880 174.492 175.510 -0.231 0.000 1.222 902 N CA 0.581 53.529 53.050 -0.170 0.000 1.187 902 N CB -0.363 38.049 38.487 -0.124 0.000 1.458 902 N HN 0.513 nan 8.380 nan 0.000 0.535 903 L N 0.471 121.569 121.223 -0.208 0.000 2.317 903 L HA 0.302 4.641 4.340 -0.001 0.000 0.281 903 L C 0.892 177.689 176.870 -0.122 0.000 1.024 903 L CA -0.750 53.969 54.840 -0.202 0.000 0.810 903 L CB 1.450 43.382 42.059 -0.212 0.000 1.240 903 L HN 0.213 nan 8.230 nan 0.000 0.427 904 S N 1.833 117.474 115.700 -0.099 0.000 2.617 904 S HA 0.395 4.865 4.470 -0.001 0.000 0.269 904 S C 1.129 175.654 174.600 -0.125 0.000 1.292 904 S CA -0.059 58.091 58.200 -0.082 0.000 1.010 904 S CB 1.723 64.893 63.200 -0.050 0.000 0.944 904 S HN 0.709 nan 8.310 nan 0.000 0.536 905 A N 1.355 124.095 122.820 -0.133 0.000 1.940 905 A HA -0.107 4.212 4.320 -0.001 0.000 0.219 905 A C 1.794 179.150 177.584 -0.380 0.000 1.176 905 A CA 1.785 53.672 52.037 -0.250 0.000 0.631 905 A CB -0.995 17.923 19.000 -0.136 0.000 0.814 905 A HN 0.914 nan 8.150 nan 0.000 0.446 906 D N -0.510 119.813 120.400 -0.128 0.000 2.149 906 D HA -0.103 4.536 4.640 -0.001 0.000 0.201 906 D C 1.870 178.102 176.300 -0.114 0.000 0.972 906 D CA 1.275 55.256 54.000 -0.031 0.000 0.835 906 D CB -0.326 40.471 40.800 -0.006 0.000 0.966 906 D HN 0.645 nan 8.370 nan 0.000 0.476 907 E N 0.688 120.812 120.200 -0.127 0.000 2.077 907 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 907 E C 2.201 178.719 176.600 -0.136 0.000 0.989 907 E CA 0.847 57.175 56.400 -0.120 0.000 0.800 907 E CB -0.007 29.676 29.700 -0.028 0.000 0.746 907 E HN 0.330 nan 8.360 nan 0.000 0.452 908 R N -0.182 120.210 120.500 -0.180 0.000 2.148 908 R HA -0.091 4.248 4.340 -0.001 0.000 0.227 908 R C 1.689 177.910 176.300 -0.131 0.000 1.103 908 R CA 1.602 57.599 56.100 -0.172 0.000 0.983 908 R CB -0.550 29.647 30.300 -0.172 0.000 0.874 908 R HN 0.347 nan 8.270 nan 0.000 0.451 909 H N 0.373 119.406 119.070 -0.062 0.000 2.403 909 H HA 0.123 4.679 4.556 -0.001 0.000 0.298 909 H C 1.883 177.157 175.328 -0.089 0.000 1.059 909 H CA 0.973 56.985 56.048 -0.061 0.000 1.363 909 H CB 0.197 29.915 29.762 -0.074 0.000 1.410 909 H HN 0.031 nan 8.280 nan 0.000 0.528 910 L N 0.044 121.216 121.223 -0.086 0.000 2.313 910 L HA -0.003 4.336 4.340 -0.001 0.000 0.214 910 L C 0.643 177.381 176.870 -0.221 0.000 1.119 910 L CA 0.511 55.170 54.840 -0.301 0.000 0.809 910 L CB 0.112 41.696 42.059 -0.792 0.000 0.933 910 L HN 0.272 nan 8.230 nan 0.000 0.449 911 R N -0.804 119.639 120.500 -0.095 0.000 3.776 911 R HA -0.219 4.121 4.340 -0.001 0.000 0.312 911 R C -0.858 175.556 176.300 0.191 0.000 1.181 911 R CA 0.940 57.078 56.100 0.063 0.000 0.836 911 R CB -2.585 27.788 30.300 0.122 0.000 1.324 911 R HN 0.451 nan 8.270 nan 0.000 0.501 912 F N -1.307 118.709 119.950 0.110 0.000 2.678 912 F HA 0.762 5.289 4.527 -0.001 0.000 0.308 912 F C -0.960 174.950 175.800 0.183 0.000 1.118 912 F CA -2.033 56.007 58.000 0.068 0.000 0.959 912 F CB 1.078 40.040 39.000 -0.063 0.000 1.305 912 F HN -0.085 nan 8.300 nan 0.000 0.443 913 F N -0.215 119.868 119.950 0.222 0.000 2.613 913 F HA 0.720 5.247 4.527 -0.001 0.000 0.310 913 F C -2.210 173.674 175.800 0.139 0.000 1.085 913 F CA -1.873 56.234 58.000 0.179 0.000 0.945 913 F CB 1.408 40.454 39.000 0.075 0.000 1.298 913 F HN 0.536 nan 8.300 nan 0.000 0.455 914 Y N 1.440 121.862 120.300 0.203 0.000 2.404 914 Y HA 0.314 4.864 4.550 -0.000 0.000 0.344 914 Y C -0.423 175.556 175.900 0.131 0.000 0.970 914 Y CA -0.312 57.829 58.100 0.069 0.000 1.180 914 Y CB 0.866 39.375 38.460 0.082 0.000 1.138 914 Y HN 0.649 nan 8.280 nan 0.000 0.510 915 D N 3.386 123.843 120.400 0.095 0.000 2.303 915 D HA 0.109 4.748 4.640 -0.001 0.000 0.236 915 D C -0.191 176.171 176.300 0.104 0.000 1.068 915 D CA -0.184 53.924 54.000 0.181 0.000 0.830 915 D CB 0.559 41.488 40.800 0.215 0.000 1.109 915 D HN 0.562 nan 8.370 nan 0.000 0.496 916 D N 3.412 123.882 120.400 0.117 0.000 2.702 916 D HA -0.249 4.391 4.640 -0.001 0.000 0.233 916 D C 0.985 177.330 176.300 0.074 0.000 1.164 916 D CA 1.437 55.486 54.000 0.081 0.000 0.638 916 D CB -0.683 40.152 40.800 0.059 0.000 1.041 916 D HN 0.898 nan 8.370 nan 0.000 0.422 917 G N -1.782 107.086 108.800 0.114 0.000 2.454 917 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.225 917 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.225 917 G C 0.768 175.756 174.900 0.147 0.000 1.138 917 G CA 0.421 45.600 45.100 0.132 0.000 0.667 917 G HN 1.164 nan 8.290 nan 0.000 0.512 918 V N 1.876 121.807 119.914 0.030 0.000 2.529 918 V HA 0.610 4.730 4.120 -0.001 0.000 0.292 918 V C 0.838 176.757 176.094 -0.291 0.000 1.028 918 V CA 1.024 63.269 62.300 -0.092 0.000 1.074 918 V CB 0.539 32.304 31.823 -0.096 0.000 0.958 918 V HN 0.571 nan 8.190 nan 0.000 0.481 919 K N 4.680 124.772 120.400 -0.515 0.000 2.338 919 K HA 0.440 4.760 4.320 -0.001 0.000 0.290 919 K C -0.255 175.973 176.600 -0.620 0.000 1.069 919 K CA -0.002 55.718 56.287 -0.945 0.000 0.941 919 K CB 0.065 31.905 32.500 -1.100 0.000 1.023 919 K HN 0.822 nan 8.250 nan 0.000 0.477 920 T N 2.055 116.173 114.554 -0.726 0.000 2.888 920 T HA 0.107 4.456 4.350 -0.001 0.000 0.284 920 T C -0.477 173.901 174.700 -0.536 0.000 1.017 920 T CA -0.650 61.037 62.100 -0.689 0.000 1.022 920 T CB 1.649 69.900 68.868 -1.028 0.000 1.013 920 T HN 0.503 nan 8.240 nan 0.000 0.465 921 S N 1.314 116.887 115.700 -0.212 0.000 2.481 921 S HA 0.354 4.824 4.470 -0.001 0.000 0.276 921 S C 1.396 176.105 174.600 0.182 0.000 1.247 921 S CA -0.565 57.644 58.200 0.016 0.000 1.053 921 S CB 0.082 63.298 63.200 0.026 0.000 0.925 921 S HN 0.808 nan 8.310 nan 0.000 0.491 922 A N 4.672 127.677 122.820 0.308 0.000 2.248 922 A HA 0.135 4.454 4.320 -0.001 0.000 0.210 922 A C 1.320 178.987 177.584 0.138 0.000 1.174 922 A CA 0.850 53.090 52.037 0.338 0.000 0.750 922 A CB -0.298 18.837 19.000 0.225 0.000 0.780 922 A HN 0.714 nan 8.150 nan 0.000 0.478 923 V N -0.700 119.282 119.914 0.114 0.000 2.868 923 V HA -0.059 4.061 4.120 -0.001 0.000 0.227 923 V C 2.630 178.755 176.094 0.053 0.000 1.136 923 V CA 1.393 63.728 62.300 0.058 0.000 1.206 923 V CB -0.648 31.217 31.823 0.071 0.000 0.997 923 V HN 0.608 nan 8.190 nan 0.000 0.505 924 S N 0.788 116.524 115.700 0.060 0.000 2.453 924 S HA 0.084 4.554 4.470 -0.001 0.000 0.231 924 S C 1.801 176.426 174.600 0.042 0.000 1.005 924 S CA 1.158 59.383 58.200 0.042 0.000 0.949 924 S CB -0.065 63.161 63.200 0.042 0.000 0.774 924 S HN 1.471 nan 8.310 nan 0.000 0.510 925 G N 1.219 110.059 108.800 0.067 0.000 2.184 925 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.264 925 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.264 925 G C 0.056 174.958 174.900 0.004 0.000 0.975 925 G CA 0.551 45.696 45.100 0.075 0.000 0.642 925 G HN 0.600 nan 8.290 nan 0.000 0.536 926 K N 0.517 120.909 120.400 -0.013 0.000 2.168 926 K HA 0.495 4.814 4.320 -0.001 0.000 0.258 926 K C 1.454 178.001 176.600 -0.089 0.000 1.010 926 K CA 0.104 56.369 56.287 -0.037 0.000 0.929 926 K CB 0.849 33.340 32.500 -0.016 0.000 0.998 926 K HN 0.111 nan 8.250 nan 0.000 0.479 927 S N 0.467 116.108 115.700 -0.098 0.000 2.383 927 S HA -0.110 4.360 4.470 -0.001 0.000 0.227 927 S C 0.790 175.304 174.600 -0.142 0.000 1.026 927 S CA 0.813 58.929 58.200 -0.140 0.000 0.981 927 S CB -0.093 63.041 63.200 -0.110 0.000 0.818 927 S HN 0.741 nan 8.310 nan 0.000 0.472 928 S N 2.105 117.749 115.700 -0.093 0.000 2.423 928 S HA 0.283 4.753 4.470 -0.001 0.000 0.302 928 S C 1.006 175.564 174.600 -0.072 0.000 1.143 928 S CA -0.645 57.506 58.200 -0.081 0.000 1.080 928 S CB 0.770 63.942 63.200 -0.046 0.000 1.081 928 S HN 0.061 nan 8.310 nan 0.000 0.522 929 V N 3.819 123.668 119.914 -0.109 0.000 2.407 929 V HA -0.078 4.041 4.120 -0.001 0.000 0.248 929 V C 1.017 177.108 176.094 -0.004 0.000 1.055 929 V CA 1.343 63.599 62.300 -0.073 0.000 1.049 929 V CB -0.594 31.123 31.823 -0.177 0.000 0.662 929 V HN 0.826 nan 8.190 nan 0.000 0.455 930 I N 1.085 121.646 120.570 -0.016 0.000 2.304 930 I HA 0.259 4.429 4.170 -0.001 0.000 0.291 930 I C -0.423 175.706 176.117 0.020 0.000 1.018 930 I CA -0.192 61.115 61.300 0.012 0.000 1.260 930 I CB 1.103 39.102 38.000 -0.001 0.000 1.390 930 I HN 0.050 nan 8.210 nan 0.000 0.475 931 D N 5.862 126.286 120.400 0.040 0.000 2.329 931 D HA 0.113 4.753 4.640 -0.001 0.000 0.232 931 D C 0.506 176.831 176.300 0.041 0.000 1.088 931 D CA -0.250 53.780 54.000 0.050 0.000 0.835 931 D CB 1.360 42.208 40.800 0.080 0.000 1.078 931 D HN 0.415 nan 8.370 nan 0.000 0.495 932 D N 2.509 122.935 120.400 0.042 0.000 2.264 932 D HA -0.103 4.537 4.640 -0.001 0.000 0.208 932 D C 0.993 177.328 176.300 0.057 0.000 0.966 932 D CA 0.507 54.532 54.000 0.041 0.000 0.864 932 D CB 0.342 41.168 40.800 0.043 0.000 0.933 932 D HN 0.435 nan 8.370 nan 0.000 0.499 933 N N 0.094 118.839 118.700 0.074 0.000 2.512 933 N HA -0.084 4.656 4.740 -0.001 0.000 0.183 933 N C 1.741 177.308 175.510 0.094 0.000 1.073 933 N CA 0.751 53.863 53.050 0.104 0.000 0.911 933 N CB -0.205 38.372 38.487 0.150 0.000 0.964 933 N HN 0.331 nan 8.380 nan 0.000 0.447 934 T N -3.182 111.370 114.554 -0.003 0.000 3.023 934 T HA 0.090 4.439 4.350 -0.001 0.000 0.266 934 T C 0.953 175.717 174.700 0.108 0.000 1.093 934 T CA 0.227 62.267 62.100 -0.100 0.000 1.129 934 T CB -0.022 68.715 68.868 -0.218 0.000 0.899 934 T HN -0.149 nan 8.240 nan 0.000 0.491 935 S N 1.286 117.031 115.700 0.075 0.000 2.543 935 S HA 0.610 5.080 4.470 -0.001 0.000 0.299 935 S C -0.605 174.015 174.600 0.032 0.000 1.125 935 S CA -0.613 57.621 58.200 0.056 0.000 1.098 935 S CB 0.877 64.082 63.200 0.009 0.000 1.063 935 S HN 0.296 nan 8.310 nan 0.000 0.493 936 V N 3.886 123.785 119.914 -0.025 0.000 2.815 936 V HA 0.522 4.642 4.120 -0.001 0.000 0.314 936 V C -0.409 175.630 176.094 -0.092 0.000 1.064 936 V CA -0.632 61.600 62.300 -0.113 0.000 0.952 936 V CB 2.336 33.925 31.823 -0.389 0.000 1.020 936 V HN 0.473 nan 8.190 nan 0.000 0.439 937 V N 6.046 125.931 119.914 -0.049 0.000 2.350 937 V HA 0.427 4.547 4.120 -0.001 0.000 0.276 937 V C -0.048 175.953 176.094 -0.155 0.000 1.028 937 V CA -0.262 62.014 62.300 -0.039 0.000 0.860 937 V CB 1.271 33.122 31.823 0.048 0.000 0.990 937 V HN 0.604 nan 8.190 nan 0.000 0.453 938 I N 5.262 125.709 120.570 -0.205 0.000 2.291 938 I HA 0.595 4.765 4.170 -0.001 0.000 0.292 938 I C 0.889 176.856 176.117 -0.251 0.000 1.064 938 I CA 0.554 61.641 61.300 -0.356 0.000 1.269 938 I CB 0.856 38.622 38.000 -0.391 0.000 1.418 938 I HN 0.746 nan 8.210 nan 0.000 0.485 939 G N 6.134 114.782 108.800 -0.252 0.000 3.022 939 G HA2 0.796 4.756 3.960 -0.001 0.000 0.284 939 G HA3 0.796 4.756 3.960 -0.001 0.000 0.284 939 G C -1.103 173.722 174.900 -0.126 0.000 1.375 939 G CA -0.646 44.363 45.100 -0.152 0.000 0.902 939 G HN 0.322 nan 8.290 nan 0.000 0.538 940 I N -0.231 120.306 120.570 -0.055 0.000 2.404 940 I HA 0.436 4.605 4.170 -0.001 0.000 0.293 940 I C -0.597 175.514 176.117 -0.009 0.000 0.992 940 I CA -0.463 60.823 61.300 -0.023 0.000 1.149 940 I CB 2.253 40.259 38.000 0.010 0.000 1.315 940 I HN 0.169 nan 8.210 nan 0.000 0.446 941 Q N 3.992 123.792 119.800 0.000 0.000 2.394 941 Q HA 0.599 4.939 4.340 -0.001 0.000 0.261 941 Q C 0.401 176.420 176.000 0.032 0.000 1.023 941 Q CA 0.420 56.233 55.803 0.017 0.000 0.720 941 Q CB 1.782 30.530 28.738 0.017 0.000 1.241 941 Q HN 0.876 nan 8.270 nan 0.000 0.483 942 G N 1.509 110.332 108.800 0.039 0.000 2.950 942 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.299 942 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.299 942 G C 0.826 175.750 174.900 0.041 0.000 1.310 942 G CA 0.753 45.882 45.100 0.049 0.000 0.994 942 G HN 0.661 nan 8.290 nan 0.000 0.575 943 S N 0.205 115.932 115.700 0.045 0.000 2.665 943 S HA 0.276 4.745 4.470 -0.001 0.000 0.240 943 S C 0.824 175.450 174.600 0.043 0.000 1.081 943 S CA 1.143 59.369 58.200 0.044 0.000 0.887 943 S CB -0.058 63.180 63.200 0.063 0.000 0.805 943 S HN 0.737 nan 8.310 nan 0.000 0.486 944 E N 1.541 121.772 120.200 0.051 0.000 2.415 944 E HA 0.183 4.533 4.350 -0.001 0.000 0.262 944 E C -1.069 175.548 176.600 0.028 0.000 1.038 944 E CA -0.093 56.342 56.400 0.058 0.000 0.921 944 E CB 0.820 30.563 29.700 0.071 0.000 0.950 944 E HN 0.159 nan 8.360 nan 0.000 0.438 945 V N 3.797 123.726 119.914 0.025 0.000 2.465 945 V HA 0.205 4.325 4.120 -0.001 0.000 0.279 945 V C 0.284 176.312 176.094 -0.110 0.000 1.045 945 V CA -0.229 62.025 62.300 -0.078 0.000 0.938 945 V CB 1.283 33.052 31.823 -0.090 0.000 0.986 945 V HN 0.832 nan 8.190 nan 0.000 0.467 946 T N 1.966 116.379 114.554 -0.235 0.000 2.856 946 T HA 0.730 5.079 4.350 -0.001 0.000 0.283 946 T C -0.932 173.531 174.700 -0.395 0.000 1.008 946 T CA -0.505 61.506 62.100 -0.148 0.000 0.997 946 T CB 1.255 70.104 68.868 -0.033 0.000 0.992 946 T HN 0.187 nan 8.240 nan 0.000 0.454 947 F N 1.408 121.329 119.950 -0.048 0.000 2.347 947 F HA 0.495 5.022 4.527 -0.001 0.000 0.366 947 F C 0.541 176.288 175.800 -0.088 0.000 1.107 947 F CA -0.764 57.150 58.000 -0.143 0.000 1.058 947 F CB 1.789 40.669 39.000 -0.200 0.000 1.236 947 F HN 0.564 nan 8.300 nan 0.000 0.456 948 T N 4.285 118.851 114.554 0.020 0.000 2.809 948 T HA 0.371 4.721 4.350 -0.001 0.000 0.284 948 T C -2.791 171.943 174.700 0.057 0.000 0.992 948 T CA -1.899 60.232 62.100 0.051 0.000 0.957 948 T CB 1.750 70.639 68.868 0.036 0.000 0.942 948 T HN 0.090 nan 8.240 nan 0.000 0.439 949 P HA 0.101 nan 4.420 nan 0.000 0.271 949 P C 1.444 178.820 177.300 0.126 0.000 1.220 949 P CA -0.522 62.630 63.100 0.086 0.000 0.768 949 P CB 0.516 32.269 31.700 0.089 0.000 0.848 950 V N 2.879 122.873 119.914 0.133 0.000 2.278 950 V HA -0.337 3.782 4.120 -0.001 0.000 0.251 950 V C 2.009 178.253 176.094 0.250 0.000 1.062 950 V CA 1.627 64.041 62.300 0.190 0.000 1.038 950 V CB -1.477 30.402 31.823 0.093 0.000 0.646 950 V HN 0.473 nan 8.190 nan 0.000 0.447 951 K N 0.058 120.588 120.400 0.217 0.000 2.059 951 K HA -0.264 4.056 4.320 -0.001 0.000 0.212 951 K C 2.429 179.166 176.600 0.228 0.000 1.050 951 K CA 2.329 58.766 56.287 0.251 0.000 0.927 951 K CB -0.328 32.263 32.500 0.152 0.000 0.714 951 K HN 0.659 nan 8.250 nan 0.000 0.447 952 Q N 0.616 120.520 119.800 0.173 0.000 2.046 952 Q HA -0.088 4.251 4.340 -0.001 0.000 0.200 952 Q C 2.306 178.398 176.000 0.154 0.000 0.975 952 Q CA 1.178 57.066 55.803 0.141 0.000 0.836 952 Q CB -0.657 28.147 28.738 0.109 0.000 0.896 952 Q HN 0.347 nan 8.270 nan 0.000 0.428 953 L N -1.086 120.256 121.223 0.199 0.000 2.131 953 L HA -0.124 4.216 4.340 -0.001 0.000 0.210 953 L C 2.169 179.209 176.870 0.283 0.000 1.092 953 L CA 0.875 55.853 54.840 0.230 0.000 0.759 953 L CB -0.324 41.937 42.059 0.336 0.000 0.903 953 L HN 0.239 nan 8.230 nan 0.000 0.435 954 W N 1.240 122.578 121.300 0.065 0.000 2.425 954 W HA -0.187 4.473 4.660 -0.001 0.000 0.277 954 W C 2.461 178.924 176.519 -0.093 0.000 1.231 954 W CA 1.592 58.855 57.345 -0.135 0.000 1.248 954 W CB 0.163 29.192 29.460 -0.718 0.000 1.117 954 W HN 0.301 nan 8.180 nan 0.000 0.568 955 E N -1.233 119.038 120.200 0.118 0.000 2.112 955 E HA -0.156 4.194 4.350 -0.001 0.000 0.190 955 E C 1.721 178.309 176.600 -0.021 0.000 0.979 955 E CA 1.408 57.837 56.400 0.048 0.000 0.814 955 E CB -1.190 28.561 29.700 0.085 0.000 0.762 955 E HN 0.231 nan 8.360 nan 0.000 0.460 956 N N 0.827 119.526 118.700 -0.001 0.000 2.084 956 N HA -0.132 4.607 4.740 -0.001 0.000 0.190 956 N C 0.738 176.209 175.510 -0.066 0.000 1.030 956 N CA 1.227 54.264 53.050 -0.021 0.000 0.849 956 N CB -0.096 38.392 38.487 0.002 0.000 1.012 956 N HN 0.468 nan 8.380 nan 0.000 0.423 957 E N 0.891 121.032 120.200 -0.099 0.000 2.418 957 E HA 0.110 4.459 4.350 -0.001 0.000 0.261 957 E C 0.227 176.729 176.600 -0.162 0.000 1.070 957 E CA 0.037 56.367 56.400 -0.117 0.000 0.931 957 E CB -0.009 29.643 29.700 -0.080 0.000 0.954 957 E HN 0.383 nan 8.360 nan 0.000 0.439 958 T N -3.859 110.625 114.554 -0.117 0.000 2.943 958 T HA 0.534 4.884 4.350 -0.001 0.000 0.284 958 T C 1.132 175.718 174.700 -0.191 0.000 1.015 958 T CA 0.408 62.434 62.100 -0.123 0.000 1.042 958 T CB 1.117 69.961 68.868 -0.040 0.000 1.055 958 T HN 1.037 nan 8.240 nan 0.000 0.500 959 H N -0.862 118.064 119.070 -0.241 0.000 2.567 959 H HA 0.046 4.602 4.556 -0.001 0.000 0.276 959 H C 1.439 176.467 175.328 -0.500 0.000 1.016 959 H CA 1.101 56.947 56.048 -0.335 0.000 1.186 959 H CB -0.744 28.822 29.762 -0.327 0.000 1.351 959 H HN 0.840 nan 8.280 nan 0.000 0.605 960 H N 1.016 119.887 119.070 -0.331 0.000 2.660 960 H HA 0.132 4.688 4.556 -0.001 0.000 0.310 960 H C 0.272 175.332 175.328 -0.448 0.000 1.080 960 H CA 0.060 55.832 56.048 -0.460 0.000 1.145 960 H CB -0.134 29.430 29.762 -0.331 0.000 1.432 960 H HN 0.520 nan 8.280 nan 0.000 0.542 961 K N -1.682 118.408 120.400 -0.516 0.000 3.077 961 K HA -0.281 4.038 4.320 -0.001 0.000 0.264 961 K C 0.753 176.952 176.600 -0.668 0.000 1.008 961 K CA 0.851 56.528 56.287 -1.018 0.000 0.740 961 K CB -2.644 29.342 32.500 -0.857 0.000 1.273 961 K HN 0.610 nan 8.250 nan 0.000 0.477 968 V N 2.619 122.375 119.914 -0.264 0.000 2.439 968 V HA 0.618 4.737 4.120 -0.001 0.000 0.282 968 V C -0.881 174.927 176.094 -0.476 0.000 1.039 968 V CA -0.601 61.593 62.300 -0.176 0.000 0.913 968 V CB 1.067 32.923 31.823 0.055 0.000 0.983 968 V HN 0.645 nan 8.190 nan 0.000 0.460 969 H N 3.843 122.841 119.070 -0.120 0.000 2.609 969 H HA 0.310 4.866 4.556 -0.001 0.000 0.344 969 H C -0.699 174.606 175.328 -0.037 0.000 1.040 969 H CA -0.991 54.876 56.048 -0.302 0.000 1.216 969 H CB 1.716 31.314 29.762 -0.273 0.000 1.529 969 H HN 0.973 nan 8.280 nan 0.000 0.519 970 W N 1.708 123.156 121.300 0.246 0.000 2.357 970 W HA 0.436 5.096 4.660 -0.001 0.000 0.386 970 W C 0.873 177.444 176.519 0.086 0.000 0.889 970 W CA 0.037 57.479 57.345 0.162 0.000 2.425 970 W CB -0.807 28.783 29.460 0.216 0.000 1.244 970 W HN 0.632 nan 8.180 nan 0.000 0.646 971 E N 1.004 121.149 120.200 -0.092 0.000 2.070 971 E HA -0.337 4.013 4.350 -0.001 0.000 0.197 971 E C 1.761 178.343 176.600 -0.030 0.000 1.004 971 E CA 2.294 58.605 56.400 -0.150 0.000 0.805 971 E CB -0.597 28.931 29.700 -0.287 0.000 0.744 971 E HN 0.450 nan 8.360 nan 0.000 0.451 972 Q N -0.443 119.363 119.800 0.009 0.000 2.364 972 Q HA 0.043 4.383 4.340 -0.001 0.000 0.209 972 Q C 2.097 178.113 176.000 0.026 0.000 0.977 972 Q CA 0.837 56.649 55.803 0.015 0.000 0.885 972 Q CB -0.374 28.380 28.738 0.027 0.000 0.941 972 Q HN 0.697 nan 8.270 nan 0.000 0.464 973 L N -0.365 120.902 121.223 0.073 0.000 2.027 973 L HA -0.186 4.154 4.340 -0.001 0.000 0.206 973 L C 1.940 178.810 176.870 -0.000 0.000 1.074 973 L CA 1.084 55.944 54.840 0.032 0.000 0.745 973 L CB -0.489 41.591 42.059 0.036 0.000 0.898 973 L HN 0.297 nan 8.230 nan 0.000 0.433 974 N N 0.257 118.975 118.700 0.031 0.000 2.188 974 N HA -0.128 4.611 4.740 -0.001 0.000 0.184 974 N C 1.910 177.383 175.510 -0.061 0.000 1.018 974 N CA 1.335 54.376 53.050 -0.014 0.000 0.858 974 N CB -0.080 38.410 38.487 0.005 0.000 0.989 974 N HN 0.283 nan 8.380 nan 0.000 0.426 975 I N 0.598 121.132 120.570 -0.060 0.000 2.163 975 I HA -0.212 3.958 4.170 -0.001 0.000 0.240 975 I C 2.271 178.318 176.117 -0.116 0.000 1.081 975 I CA 0.741 61.989 61.300 -0.085 0.000 1.353 975 I CB -0.261 37.700 38.000 -0.066 0.000 1.054 975 I HN -0.128 nan 8.210 nan 0.000 0.407 976 V N 0.689 120.545 119.914 -0.098 0.000 2.295 976 V HA -0.282 3.837 4.120 -0.001 0.000 0.246 976 V C 2.663 178.673 176.094 -0.140 0.000 1.049 976 V CA 2.163 64.390 62.300 -0.121 0.000 1.024 976 V CB -0.955 30.806 31.823 -0.103 0.000 0.648 976 V HN 0.639 nan 8.190 nan 0.000 0.447 977 S N 0.269 115.900 115.700 -0.116 0.000 2.370 977 S HA -0.284 4.185 4.470 -0.001 0.000 0.226 977 S C 1.675 176.199 174.600 -0.127 0.000 1.033 977 S CA 1.870 60.000 58.200 -0.116 0.000 1.011 977 S CB -0.646 62.496 63.200 -0.098 0.000 0.852 977 S HN 0.573 nan 8.310 nan 0.000 0.457 978 D N 1.301 121.620 120.400 -0.136 0.000 2.178 978 D HA 0.057 4.696 4.640 -0.001 0.000 0.202 978 D C 1.858 178.047 176.300 -0.184 0.000 0.974 978 D CA 0.653 54.568 54.000 -0.143 0.000 0.841 978 D CB -0.399 40.318 40.800 -0.139 0.000 0.953 978 D HN 0.404 nan 8.370 nan 0.000 0.478 979 L N 0.132 121.193 121.223 -0.271 0.000 2.005 979 L HA -0.094 4.246 4.340 -0.001 0.000 0.207 979 L C 2.181 178.911 176.870 -0.234 0.000 1.072 979 L CA 0.953 55.512 54.840 -0.468 0.000 0.744 979 L CB -0.049 41.678 42.059 -0.552 0.000 0.895 979 L HN -0.003 nan 8.230 nan 0.000 0.433 980 L N -0.671 120.453 121.223 -0.165 0.000 2.156 980 L HA -0.050 4.290 4.340 -0.001 0.000 0.208 980 L C 1.618 178.430 176.870 -0.096 0.000 1.095 980 L CA 0.450 55.198 54.840 -0.153 0.000 0.770 980 L CB -0.790 41.148 42.059 -0.203 0.000 0.914 980 L HN 0.378 nan 8.230 nan 0.000 0.439 981 S N -0.319 115.382 115.700 0.002 0.000 2.661 981 S HA 0.272 4.742 4.470 -0.001 0.000 0.265 981 S C 1.299 176.119 174.600 0.367 0.000 1.225 981 S CA -0.152 58.122 58.200 0.123 0.000 0.986 981 S CB 1.290 64.486 63.200 -0.007 0.000 1.008 981 S HN 0.165 nan 8.310 nan 0.000 0.565 982 G N -0.027 108.984 108.800 0.352 0.000 2.471 982 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.219 982 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.219 982 G C 1.344 176.232 174.900 -0.020 0.000 1.125 982 G CA 0.622 45.759 45.100 0.062 0.000 0.775 982 G HN 0.821 nan 8.290 nan 0.000 0.548 983 R N -0.177 120.308 120.500 -0.024 0.000 2.206 983 R HA -0.175 4.165 4.340 -0.001 0.000 0.240 983 R C 2.402 178.671 176.300 -0.051 0.000 1.117 983 R CA 2.009 58.072 56.100 -0.062 0.000 0.915 983 R CB -0.638 29.603 30.300 -0.098 0.000 0.888 983 R HN 0.365 nan 8.270 nan 0.000 0.432 984 L N 0.144 121.323 121.223 -0.073 0.000 2.127 984 L HA -0.188 4.152 4.340 -0.001 0.000 0.211 984 L C 2.290 179.238 176.870 0.131 0.000 1.089 984 L CA 1.725 56.541 54.840 -0.039 0.000 0.757 984 L CB -0.133 41.765 42.059 -0.269 0.000 0.899 984 L HN 0.397 nan 8.230 nan 0.000 0.434 985 S N -0.342 115.427 115.700 0.114 0.000 2.387 985 S HA -0.089 4.380 4.470 -0.001 0.000 0.226 985 S C 1.748 176.335 174.600 -0.022 0.000 1.026 985 S CA 0.812 59.071 58.200 0.099 0.000 0.972 985 S CB -0.125 63.059 63.200 -0.026 0.000 0.814 985 S HN 0.224 nan 8.310 nan 0.000 0.477 986 I N 1.554 122.093 120.570 -0.051 0.000 2.439 986 I HA 0.024 4.194 4.170 -0.001 0.000 0.251 986 I C 2.399 178.498 176.117 -0.030 0.000 1.139 986 I CA 0.982 62.249 61.300 -0.055 0.000 1.438 986 I CB -0.228 37.737 38.000 -0.058 0.000 1.085 986 I HN 0.082 nan 8.210 nan 0.000 0.427 987 R N -0.324 120.167 120.500 -0.016 0.000 2.237 987 R HA -0.065 4.275 4.340 -0.001 0.000 0.219 987 R C 1.591 177.891 176.300 -0.001 0.000 1.080 987 R CA 1.675 57.770 56.100 -0.009 0.000 0.995 987 R CB -0.226 30.068 30.300 -0.011 0.000 0.875 987 R HN 0.510 nan 8.270 nan 0.000 0.462 988 T N -4.538 110.019 114.554 0.005 0.000 3.043 988 T HA 0.170 4.520 4.350 -0.001 0.000 0.272 988 T C 0.310 174.984 174.700 -0.042 0.000 0.990 988 T CA -0.025 62.069 62.100 -0.011 0.000 0.897 988 T CB 0.502 69.373 68.868 0.005 0.000 1.111 988 T HN 0.031 nan 8.240 nan 0.000 0.529 989 T N 0.000 114.526 114.554 -0.047 0.000 3.816 989 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 989 T CA 0.000 62.062 62.100 -0.064 0.000 1.349 989 T CB 0.000 68.838 68.868 -0.051 0.000 0.612 989 T HN 0.000 nan 8.240 nan 0.000 0.658