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_C 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 -0.014 0.000 1.107 5 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 6 I N 1.067 121.627 120.570 -0.017 0.000 2.379 6 I HA 0.929 5.099 4.170 -0.000 0.000 0.290 6 I C 1.593 177.701 176.117 -0.014 0.000 1.063 6 I CA 0.017 61.306 61.300 -0.018 0.000 1.351 6 I CB -0.368 37.616 38.000 -0.026 0.000 1.410 6 I HN 0.827 nan 8.210 nan 0.000 0.505 7 S N 2.927 118.623 115.700 -0.007 0.000 2.343 7 S HA 0.011 4.481 4.470 -0.000 0.000 0.219 7 S C 1.190 175.792 174.600 0.003 0.000 1.033 7 S CA 2.106 60.307 58.200 0.002 0.000 1.014 7 S CB -0.049 63.160 63.200 0.015 0.000 0.915 7 S HN 0.915 nan 8.310 nan 0.000 0.435 8 D N -2.826 117.576 120.400 0.003 0.000 3.831 8 D HA 0.562 5.202 4.640 -0.000 0.000 0.327 8 D C -1.358 174.935 176.300 -0.012 0.000 1.505 8 D CA 0.319 54.321 54.000 0.003 0.000 0.976 8 D CB 0.575 41.391 40.800 0.026 0.000 1.421 8 D HN 0.423 nan 8.370 nan 0.000 0.624 9 L N 0.630 121.849 121.223 -0.007 0.000 2.307 9 L HA 0.609 4.949 4.340 -0.000 0.000 0.284 9 L C 1.309 178.165 176.870 -0.024 0.000 1.023 9 L CA -0.185 54.636 54.840 -0.033 0.000 0.810 9 L CB 1.005 43.055 42.059 -0.015 0.000 1.231 9 L HN 0.418 nan 8.230 nan 0.000 0.423 10 S N 1.616 117.273 115.700 -0.072 0.000 2.336 10 S HA 0.411 4.881 4.470 -0.000 0.000 0.216 10 S C 0.392 175.046 174.600 0.089 0.000 1.032 10 S CA 1.774 59.974 58.200 -0.000 0.000 0.973 10 S CB -0.116 63.081 63.200 -0.004 0.000 0.888 10 S HN 1.563 nan 8.310 nan 0.000 0.455 11 F N -0.802 119.073 119.950 -0.125 0.000 2.807 11 F HA 0.565 5.092 4.527 -0.000 0.000 0.316 11 F C -0.842 174.852 175.800 -0.178 0.000 1.162 11 F CA -0.895 56.999 58.000 -0.177 0.000 0.910 11 F CB 1.080 39.910 39.000 -0.282 0.000 1.314 11 F HN -0.039 nan 8.300 nan 0.000 0.454 12 T N -0.557 113.975 114.554 -0.037 0.000 2.823 12 T HA 0.655 5.005 4.350 -0.000 0.000 0.279 12 T C -0.873 173.684 174.700 -0.238 0.000 0.998 12 T CA -0.516 61.455 62.100 -0.215 0.000 0.994 12 T CB 1.482 70.219 68.868 -0.218 0.000 0.960 12 T HN 0.989 nan 8.240 nan 0.000 0.448 13 S N 2.251 117.830 115.700 -0.201 0.000 2.454 13 S HA 0.712 5.182 4.470 -0.000 0.000 0.306 13 S C -1.547 173.021 174.600 -0.054 0.000 1.100 13 S CA -0.788 57.366 58.200 -0.076 0.000 1.087 13 S CB 0.005 63.291 63.200 0.142 0.000 1.019 13 S HN 0.535 nan 8.310 nan 0.000 0.480 14 F N 4.106 124.125 119.950 0.116 0.000 2.445 14 F HA 0.460 4.987 4.527 -0.000 0.000 0.348 14 F C -0.146 175.742 175.800 0.147 0.000 1.125 14 F CA -1.188 56.882 58.000 0.116 0.000 0.983 14 F CB 1.443 40.511 39.000 0.112 0.000 1.198 14 F HN 0.226 nan 8.300 nan 0.000 0.436 15 V N 2.714 122.810 119.914 0.304 0.000 2.427 15 V HA 0.913 5.033 4.120 -0.000 0.000 0.286 15 V C 0.342 176.548 176.094 0.186 0.000 1.034 15 V CA -0.342 62.091 62.300 0.222 0.000 0.893 15 V CB 0.936 32.853 31.823 0.158 0.000 0.982 15 V HN 0.958 nan 8.190 nan 0.000 0.452 16 T N 0.893 115.554 114.554 0.180 0.000 2.906 16 T HA 0.445 4.795 4.350 -0.000 0.000 0.295 16 T C 0.629 175.379 174.700 0.082 0.000 1.061 16 T CA -0.671 61.512 62.100 0.138 0.000 1.000 16 T CB 1.445 70.426 68.868 0.188 0.000 1.103 16 T HN 0.485 nan 8.240 nan 0.000 0.486 17 N N 0.195 118.929 118.700 0.057 0.000 2.439 17 N HA -0.014 4.726 4.740 -0.000 0.000 0.176 17 N C -0.440 175.084 175.510 0.023 0.000 1.029 17 N CA 0.253 53.319 53.050 0.028 0.000 0.886 17 N CB 0.410 38.912 38.487 0.024 0.000 1.057 17 N HN 0.679 nan 8.380 nan 0.000 0.437 18 D N 0.986 121.414 120.400 0.047 0.000 2.317 18 D HA 0.009 4.649 4.640 -0.000 0.000 0.252 18 D C 0.472 176.827 176.300 0.092 0.000 1.174 18 D CA -0.057 53.976 54.000 0.054 0.000 0.866 18 D CB 1.291 42.123 40.800 0.053 0.000 1.127 18 D HN 0.140 nan 8.370 nan 0.000 0.467 19 D N 2.893 123.333 120.400 0.067 0.000 2.144 19 D HA -0.160 4.479 4.640 -0.000 0.000 0.200 19 D C 1.172 177.584 176.300 0.186 0.000 0.978 19 D CA 0.965 55.029 54.000 0.107 0.000 0.833 19 D CB 0.268 41.089 40.800 0.034 0.000 0.961 19 D HN 0.294 nan 8.370 nan 0.000 0.470 20 N N 0.182 118.952 118.700 0.118 0.000 2.166 20 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 20 N C 1.975 177.552 175.510 0.112 0.000 1.019 20 N CA 0.621 53.732 53.050 0.103 0.000 0.856 20 N CB -0.297 38.228 38.487 0.063 0.000 0.993 20 N HN 0.339 nan 8.380 nan 0.000 0.426 21 L N -0.258 121.033 121.223 0.114 0.000 2.056 21 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 21 L C 2.254 179.216 176.870 0.154 0.000 1.078 21 L CA 0.764 55.663 54.840 0.098 0.000 0.749 21 L CB -0.344 41.763 42.059 0.080 0.000 0.901 21 L HN 0.038 nan 8.230 nan 0.000 0.433 22 F N 1.153 121.145 119.950 0.069 0.000 2.075 22 F HA -0.279 4.248 4.527 -0.000 0.000 0.297 22 F C 2.453 178.342 175.800 0.150 0.000 1.113 22 F CA 2.000 60.063 58.000 0.105 0.000 1.218 22 F CB -0.040 39.007 39.000 0.079 0.000 0.984 22 F HN -0.030 nan 8.300 nan 0.000 0.472 23 E N 0.401 120.703 120.200 0.170 0.000 2.106 23 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 23 E C 2.069 178.756 176.600 0.145 0.000 0.984 23 E CA 1.619 58.090 56.400 0.119 0.000 0.806 23 E CB -0.210 29.604 29.700 0.189 0.000 0.750 23 E HN 0.576 nan 8.360 nan 0.000 0.458 24 E N -1.022 119.240 120.200 0.103 0.000 2.204 24 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 24 E C 1.740 178.370 176.600 0.050 0.000 0.989 24 E CA 1.398 57.840 56.400 0.069 0.000 0.824 24 E CB 0.096 29.816 29.700 0.034 0.000 0.756 24 E HN 0.220 nan 8.360 nan 0.000 0.477 25 T N 0.693 115.272 114.554 0.042 0.000 2.812 25 T HA -0.118 4.232 4.350 -0.000 0.000 0.264 25 T C 1.463 176.279 174.700 0.194 0.000 1.042 25 T CA 0.771 62.908 62.100 0.061 0.000 1.140 25 T CB -0.308 68.612 68.868 0.087 0.000 0.870 25 T HN 0.198 nan 8.240 nan 0.000 0.445 26 F N 2.874 122.795 119.950 -0.050 0.000 2.069 26 F HA -0.144 4.383 4.527 0.000 0.000 0.298 26 F C 1.815 177.639 175.800 0.040 0.000 1.113 26 F CA 1.477 59.447 58.000 -0.051 0.000 1.214 26 F CB -0.829 38.030 39.000 -0.234 0.000 0.978 26 F HN 0.119 nan 8.300 nan 0.000 0.474 27 N N -0.693 117.924 118.700 -0.139 0.000 2.289 27 N HA -0.200 4.540 4.740 -0.000 0.000 0.184 27 N C 1.795 177.230 175.510 -0.124 0.000 1.016 27 N CA 1.237 54.157 53.050 -0.215 0.000 0.872 27 N CB -0.455 38.016 38.487 -0.027 0.000 0.973 27 N HN 0.414 nan 8.380 nan 0.000 0.433 28 F N 0.651 120.474 119.950 -0.211 0.000 2.084 28 F HA -0.177 4.350 4.527 -0.000 0.000 0.296 28 F C 1.506 177.123 175.800 -0.306 0.000 1.111 28 F CA 1.362 59.194 58.000 -0.280 0.000 1.224 28 F CB -0.323 38.443 39.000 -0.390 0.000 0.991 28 F HN 0.003 nan 8.300 nan 0.000 0.471 29 Y N 0.371 120.615 120.300 -0.093 0.000 2.373 29 Y HA -0.095 4.455 4.550 -0.000 0.000 0.293 29 Y C 2.608 178.436 175.900 -0.119 0.000 1.129 29 Y CA 1.448 59.431 58.100 -0.195 0.000 1.226 29 Y CB -1.312 36.933 38.460 -0.359 0.000 1.000 29 Y HN 0.026 nan 8.280 nan 0.000 0.549 30 T N -0.039 114.432 114.554 -0.139 0.000 2.746 30 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 30 T C 1.751 176.340 174.700 -0.185 0.000 1.039 30 T CA 1.636 63.589 62.100 -0.245 0.000 1.142 30 T CB -0.171 68.387 68.868 -0.516 0.000 0.866 30 T HN 0.288 nan 8.240 nan 0.000 0.444 31 K N 0.608 120.894 120.400 -0.190 0.000 2.211 31 K HA 0.137 4.457 4.320 -0.000 0.000 0.203 31 K C 1.638 178.144 176.600 -0.156 0.000 1.050 31 K CA 0.685 56.872 56.287 -0.167 0.000 0.945 31 K CB -0.104 32.292 32.500 -0.173 0.000 0.732 31 K HN 0.296 nan 8.250 nan 0.000 0.451 32 L N -0.334 120.797 121.223 -0.154 0.000 2.612 32 L HA 0.143 4.483 4.340 -0.000 0.000 0.230 32 L C 0.837 177.711 176.870 0.007 0.000 1.140 32 L CA 0.159 54.953 54.840 -0.078 0.000 0.896 32 L CB 0.282 42.272 42.059 -0.114 0.000 1.065 32 L HN 0.428 nan 8.230 nan 0.000 0.447 33 G N -0.852 107.922 108.800 -0.043 0.000 2.148 33 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.203 33 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.203 33 G C 0.028 174.800 174.900 -0.212 0.000 0.993 33 G CA -0.667 44.360 45.100 -0.121 0.000 0.661 33 G HN 0.136 nan 8.290 nan 0.000 0.518 34 F N 1.762 121.613 119.950 -0.165 0.000 2.375 34 F HA 0.628 5.155 4.527 -0.000 0.000 0.333 34 F C 1.054 176.695 175.800 -0.265 0.000 1.104 34 F CA -0.253 57.679 58.000 -0.113 0.000 1.149 34 F CB 0.955 39.922 39.000 -0.055 0.000 1.190 34 F HN 0.055 nan 8.300 nan 0.000 0.533 35 H N 1.413 120.619 119.070 0.228 0.000 2.609 35 H HA 0.465 5.021 4.556 -0.000 0.000 0.344 35 H C -0.691 174.789 175.328 0.253 0.000 1.040 35 H CA -0.993 55.196 56.048 0.235 0.000 1.216 35 H CB 1.739 31.704 29.762 0.338 0.000 1.529 35 H HN 0.694 nan 8.280 nan 0.000 0.519 36 A N 2.809 125.843 122.820 0.357 0.000 2.410 36 A HA 0.183 4.503 4.320 -0.000 0.000 0.292 36 A C 1.002 178.756 177.584 0.282 0.000 1.232 36 A CA -0.219 52.020 52.037 0.338 0.000 0.893 36 A CB -0.083 19.153 19.000 0.393 0.000 1.131 36 A HN 0.789 nan 8.150 nan 0.000 0.530 37 T N 1.704 116.413 114.554 0.258 0.000 3.031 37 T HA 0.140 4.490 4.350 -0.000 0.000 0.254 37 T C 0.959 175.749 174.700 0.151 0.000 1.060 37 T CA 0.740 62.975 62.100 0.225 0.000 1.135 37 T CB 0.048 69.055 68.868 0.231 0.000 0.896 37 T HN 0.654 nan 8.240 nan 0.000 0.472 38 R N 1.428 122.003 120.500 0.124 0.000 2.673 38 R HA 0.505 4.845 4.340 -0.000 0.000 0.281 38 R C -1.503 174.722 176.300 -0.124 0.000 0.991 38 R CA -0.378 55.685 56.100 -0.060 0.000 0.896 38 R CB 1.707 31.855 30.300 -0.254 0.000 1.201 38 R HN 0.276 nan 8.270 nan 0.000 0.457 39 S N 2.442 118.060 115.700 -0.137 0.000 2.548 39 S HA 0.561 5.031 4.470 -0.000 0.000 0.286 39 S C -1.495 173.061 174.600 -0.074 0.000 1.098 39 S CA -0.707 57.436 58.200 -0.094 0.000 0.930 39 S CB 1.825 64.996 63.200 -0.048 0.000 1.070 39 S HN 0.590 nan 8.310 nan 0.000 0.480 40 Y N 1.057 121.254 120.300 -0.172 0.000 2.524 40 Y HA 0.787 5.337 4.550 -0.000 0.000 0.347 40 Y C -1.336 174.502 175.900 -0.103 0.000 1.005 40 Y CA -0.855 57.153 58.100 -0.152 0.000 1.025 40 Y CB 1.772 40.119 38.460 -0.188 0.000 1.275 40 Y HN 0.905 nan 8.280 nan 0.000 0.460 41 V N 3.508 122.728 119.914 -1.157 0.000 3.178 41 V HA 0.687 4.807 4.120 -0.000 0.000 0.302 41 V C -0.376 175.130 176.094 -0.981 0.000 1.262 41 V CA -0.254 61.551 62.300 -0.824 0.000 1.030 41 V CB 1.538 33.132 31.823 -0.383 0.000 1.074 41 V HN 1.156 nan 8.190 nan 0.000 0.438 45 R N 0.534 121.032 120.500 -0.003 0.000 2.312 45 R HA 0.334 4.674 4.340 -0.000 0.000 0.205 45 R C 2.018 178.326 176.300 0.014 0.000 0.904 45 R CA 1.282 57.389 56.100 0.011 0.000 1.052 45 R CB -1.169 29.135 30.300 0.007 0.000 1.014 45 R HN 0.663 nan 8.270 nan 0.000 0.503 46 S N 1.054 116.757 115.700 0.005 0.000 2.402 46 S HA -0.044 4.426 4.470 -0.000 0.000 0.229 46 S C 1.051 175.659 174.600 0.015 0.000 1.021 46 S CA 0.557 58.760 58.200 0.005 0.000 0.974 46 S CB -0.139 63.058 63.200 -0.004 0.000 0.800 46 S HN 0.605 nan 8.310 nan 0.000 0.484 47 D N 0.509 120.928 120.400 0.031 0.000 2.533 47 D HA 0.260 4.900 4.640 -0.000 0.000 0.236 47 D C -0.120 176.218 176.300 0.062 0.000 1.137 47 D CA 0.693 54.736 54.000 0.071 0.000 0.867 47 D CB 0.154 41.053 40.800 0.165 0.000 1.170 47 D HN 0.294 nan 8.370 nan 0.000 0.474 48 F N 0.316 120.277 119.950 0.018 0.000 2.412 48 F HA 0.507 5.034 4.527 -0.000 0.000 0.348 48 F C 0.904 176.654 175.800 -0.082 0.000 1.102 48 F CA -0.784 57.200 58.000 -0.027 0.000 1.196 48 F CB 0.228 39.203 39.000 -0.042 0.000 1.144 48 F HN 0.487 nan 8.300 nan 0.000 0.541 49 E N 1.030 121.173 120.200 -0.095 0.000 2.165 49 E HA 0.731 5.081 4.350 -0.000 0.000 0.266 49 E C 0.025 176.566 176.600 -0.098 0.000 0.889 49 E CA 0.124 56.424 56.400 -0.166 0.000 0.756 49 E CB 0.856 30.460 29.700 -0.160 0.000 1.131 49 E HN 2.396 nan 8.360 nan 0.000 0.411 50 L N 0.074 121.244 121.223 -0.088 0.000 2.758 50 L HA 0.884 5.224 4.340 -0.000 0.000 0.234 50 L C 1.604 178.530 176.870 0.093 0.000 1.049 50 L CA 1.533 56.392 54.840 0.031 0.000 0.908 50 L CB -0.691 41.429 42.059 0.103 0.000 1.362 50 L HN 1.207 nan 8.230 nan 0.000 0.499 51 T N -1.907 112.706 114.554 0.097 0.000 2.916 51 T HA 0.659 5.009 4.350 -0.000 0.000 0.298 51 T C 0.492 175.187 174.700 -0.009 0.000 1.031 51 T CA 0.026 62.217 62.100 0.153 0.000 0.993 51 T CB 1.471 70.583 68.868 0.406 0.000 1.045 51 T HN 1.409 nan 8.240 nan 0.000 0.454 52 G N -0.321 108.470 108.800 -0.015 0.000 4.406 52 G HA2 0.609 4.569 3.960 -0.000 0.000 0.212 52 G HA3 0.609 4.569 3.960 -0.000 0.000 0.212 52 G C -0.046 174.848 174.900 -0.009 0.000 0.941 52 G CA 0.731 45.785 45.100 -0.077 0.000 0.821 52 G HN 2.026 nan 8.290 nan 0.000 0.429 53 I N 0.455 121.043 120.570 0.029 0.000 2.731 53 I HA 0.832 5.002 4.170 -0.000 0.000 0.289 53 I C -0.225 175.924 176.117 0.053 0.000 1.399 53 I CA -0.472 60.850 61.300 0.037 0.000 1.048 53 I CB 1.190 39.203 38.000 0.021 0.000 1.345 53 I HN 0.866 nan 8.210 nan 0.000 0.425 57 S N -0.708 115.023 115.700 0.050 0.000 2.521 57 S HA 0.685 5.155 4.470 -0.000 0.000 0.295 57 S C 1.014 175.682 174.600 0.114 0.000 1.098 57 S CA 0.043 58.281 58.200 0.064 0.000 0.999 57 S CB 0.415 63.663 63.200 0.079 0.000 1.034 57 S HN 1.492 nan 8.310 nan 0.000 0.483 58 I N -1.015 119.569 120.570 0.023 0.000 2.480 58 I HA 0.401 4.571 4.170 -0.000 0.000 0.251 58 I C 0.779 176.846 176.117 -0.084 0.000 1.124 58 I CA 0.564 61.850 61.300 -0.023 0.000 1.444 58 I CB -0.361 37.592 38.000 -0.079 0.000 1.098 58 I HN 0.545 nan 8.210 nan 0.000 0.428 59 K N 1.376 121.695 120.400 -0.135 0.000 2.469 59 K HA 0.775 5.095 4.320 -0.000 0.000 0.254 59 K C -0.978 175.598 176.600 -0.040 0.000 0.939 59 K CA -0.654 55.533 56.287 -0.167 0.000 0.812 59 K CB 1.475 33.755 32.500 -0.368 0.000 1.301 59 K HN 0.373 nan 8.250 nan 0.000 0.433 60 E N 0.980 121.274 120.200 0.156 0.000 2.307 60 E HA 0.423 4.773 4.350 -0.000 0.000 0.280 60 E C -1.417 175.334 176.600 0.252 0.000 0.900 60 E CA -0.569 55.998 56.400 0.279 0.000 0.790 60 E CB 1.817 31.656 29.700 0.231 0.000 1.261 60 E HN 0.562 nan 8.360 nan 0.000 0.405 61 I N 2.618 123.419 120.570 0.384 0.000 2.418 61 I HA 0.332 4.502 4.170 -0.000 0.000 0.287 61 I C -0.999 175.374 176.117 0.427 0.000 1.008 61 I CA -0.724 60.730 61.300 0.256 0.000 1.104 61 I CB 1.060 39.115 38.000 0.091 0.000 1.264 61 I HN 0.345 nan 8.210 nan 0.000 0.438 62 W N 7.777 129.102 121.300 0.041 0.000 2.283 62 W HA 0.499 5.159 4.660 -0.000 0.000 0.317 62 W C -0.575 175.960 176.519 0.026 0.000 1.042 62 W CA -0.942 56.388 57.345 -0.025 0.000 1.348 62 W CB 0.388 29.800 29.460 -0.080 0.000 1.216 62 W HN 0.186 nan 8.180 nan 0.000 0.404 63 L N 2.984 124.327 121.223 0.200 0.000 2.325 63 L HA 0.518 4.857 4.340 -0.000 0.000 0.279 63 L C 0.138 177.141 176.870 0.221 0.000 1.054 63 L CA -0.812 54.165 54.840 0.229 0.000 0.804 63 L CB 1.485 43.636 42.059 0.154 0.000 1.200 63 L HN 0.253 nan 8.230 nan 0.000 0.436 64 E N 1.309 121.614 120.200 0.175 0.000 2.246 64 E HA 0.274 4.624 4.350 -0.000 0.000 0.266 64 E C -1.358 175.005 176.600 -0.395 0.000 0.880 64 E CA -0.348 55.930 56.400 -0.204 0.000 0.762 64 E CB 2.071 31.382 29.700 -0.648 0.000 1.180 64 E HN 0.353 nan 8.360 nan 0.000 0.416 65 S N 5.284 120.575 115.700 -0.682 0.000 2.466 65 S HA 0.356 4.826 4.470 -0.000 0.000 0.313 65 S C -0.732 173.636 174.600 -0.387 0.000 1.078 65 S CA -0.602 57.160 58.200 -0.730 0.000 1.115 65 S CB -0.470 61.961 63.200 -1.282 0.000 1.006 65 S HN 0.453 nan 8.310 nan 0.000 0.487 66 F N 4.480 124.334 119.950 -0.161 0.000 2.629 66 F HA 0.175 4.702 4.527 -0.000 0.000 0.369 66 F C -1.241 174.500 175.800 -0.098 0.000 1.125 66 F CA -1.048 56.882 58.000 -0.116 0.000 1.330 66 F CB -0.266 38.654 39.000 -0.132 0.000 1.071 66 F HN 0.396 nan 8.300 nan 0.000 0.595 67 P HA 0.111 nan 4.420 nan 0.000 0.271 67 P C -0.786 176.543 177.300 0.049 0.000 1.233 67 P CA -0.315 62.819 63.100 0.055 0.000 0.789 67 P CB 0.466 32.196 31.700 0.050 0.000 0.951 68 L N 1.020 122.264 121.223 0.034 0.000 2.265 68 L HA 0.331 4.671 4.340 -0.000 0.000 0.288 68 L C 0.508 177.379 176.870 0.002 0.000 1.058 68 L CA -0.133 54.717 54.840 0.017 0.000 0.809 68 L CB 0.682 42.754 42.059 0.021 0.000 1.179 68 L HN 0.445 nan 8.230 nan 0.000 0.429 69 S N 0.631 116.324 115.700 -0.011 0.000 2.689 69 S HA 0.380 4.850 4.470 -0.000 0.000 0.306 69 S C -0.446 174.141 174.600 -0.022 0.000 1.104 69 S CA -1.081 57.106 58.200 -0.021 0.000 0.973 69 S CB 1.605 64.785 63.200 -0.033 0.000 1.121 69 S HN 0.631 nan 8.310 nan 0.000 0.523 70 E N 0.560 120.747 120.200 -0.021 0.000 1.775 70 E HA 0.338 4.688 4.350 -0.000 0.000 0.266 70 E C -0.588 175.998 176.600 -0.023 0.000 1.191 70 E CA -0.650 55.740 56.400 -0.017 0.000 1.048 70 E CB -0.339 29.356 29.700 -0.008 0.000 1.081 70 E HN 0.294 nan 8.360 nan 0.000 0.434 71 V N 3.852 123.751 119.914 -0.024 0.000 2.790 71 V HA -0.128 3.992 4.120 -0.000 0.000 0.304 71 V C 0.378 176.457 176.094 -0.024 0.000 1.142 71 V CA 0.381 62.664 62.300 -0.028 0.000 1.282 71 V CB 0.625 32.432 31.823 -0.027 0.000 0.877 71 V HN 0.574 nan 8.190 nan 0.000 0.504 72 V N 6.363 126.260 119.914 -0.029 0.000 2.432 72 V HA 0.168 4.288 4.120 -0.000 0.000 0.275 72 V C 0.930 177.010 176.094 -0.022 0.000 1.043 72 V CA -0.300 61.984 62.300 -0.025 0.000 0.925 72 V CB 1.328 33.133 31.823 -0.030 0.000 0.985 72 V HN 1.021 nan 8.190 nan 0.000 0.466 73 E N 3.358 123.548 120.200 -0.018 0.000 2.013 73 E HA -0.114 4.236 4.350 -0.000 0.000 0.202 73 E C 1.244 177.835 176.600 -0.016 0.000 1.018 73 E CA 1.786 58.177 56.400 -0.015 0.000 0.834 73 E CB -0.260 29.433 29.700 -0.012 0.000 0.770 73 E HN 0.888 nan 8.360 nan 0.000 0.459 78 R N 0.310 120.804 120.500 -0.010 0.000 2.743 78 R HA 0.510 4.850 4.340 -0.000 0.000 0.167 78 R C 0.595 176.888 176.300 -0.012 0.000 0.873 78 R CA -0.153 55.940 56.100 -0.011 0.000 1.366 78 R CB 0.146 30.438 30.300 -0.012 0.000 0.940 78 R HN 0.483 nan 8.270 nan 0.000 0.545 79 E N 0.658 120.850 120.200 -0.014 0.000 2.191 79 E HA 0.208 4.558 4.350 -0.000 0.000 0.274 79 E C -0.651 175.938 176.600 -0.019 0.000 0.948 79 E CA -0.552 55.839 56.400 -0.015 0.000 0.802 79 E CB 1.203 30.894 29.700 -0.015 0.000 1.137 79 E HN 0.237 nan 8.360 nan 0.000 0.397 80 L N 2.543 123.755 121.223 -0.019 0.000 2.513 80 L HA 0.145 4.485 4.340 -0.000 0.000 0.272 80 L C 0.846 177.697 176.870 -0.030 0.000 1.187 80 L CA 0.544 55.370 54.840 -0.023 0.000 0.895 80 L CB -0.153 41.894 42.059 -0.020 0.000 1.147 80 L HN 0.487 nan 8.230 nan 0.000 0.483 81 R N 2.384 122.863 120.500 -0.035 0.000 2.807 81 R HA 0.788 5.128 4.340 -0.000 0.000 0.276 81 R C -0.130 176.139 176.300 -0.052 0.000 0.979 81 R CA -0.370 55.702 56.100 -0.047 0.000 0.928 81 R CB 0.551 30.823 30.300 -0.047 0.000 1.191 81 R HN 0.593 nan 8.270 nan 0.000 0.471 82 K N 2.945 123.304 120.400 -0.068 0.000 2.414 82 K HA 0.401 4.721 4.320 -0.000 0.000 0.272 82 K C -1.717 174.842 176.600 -0.068 0.000 0.993 82 K CA -0.346 55.897 56.287 -0.073 0.000 0.964 82 K CB -0.334 32.106 32.500 -0.101 0.000 0.925 82 K HN 0.771 nan 8.250 nan 0.000 0.487 83 P HA 0.439 nan 4.420 nan 0.000 0.333 83 P C -0.457 176.794 177.300 -0.082 0.000 1.315 83 P CA -0.447 62.615 63.100 -0.063 0.000 0.746 83 P CB 0.421 32.089 31.700 -0.052 0.000 1.575 84 L N -1.738 119.429 121.223 -0.093 0.000 2.426 84 L HA 0.328 4.668 4.340 -0.000 0.000 0.260 84 L C 0.701 177.457 176.870 -0.190 0.000 1.233 84 L CA -0.418 54.346 54.840 -0.127 0.000 1.267 84 L CB -0.550 41.445 42.059 -0.106 0.000 1.814 84 L HN 0.221 nan 8.230 nan 0.000 0.561 85 Q N 0.666 120.289 119.800 -0.295 0.000 2.819 85 Q HA 0.275 4.615 4.340 -0.000 0.000 0.392 85 Q C -0.154 175.659 176.000 -0.311 0.000 1.088 85 Q CA 0.095 55.566 55.803 -0.553 0.000 1.062 85 Q CB 0.532 28.507 28.738 -1.270 0.000 1.369 85 Q HN 0.566 nan 8.270 nan 0.000 0.434 86 E N -0.437 119.685 120.200 -0.131 0.000 2.601 86 E HA 0.068 4.418 4.350 -0.000 0.000 0.219 86 E C 0.082 176.681 176.600 -0.002 0.000 0.964 86 E CA -0.075 56.304 56.400 -0.034 0.000 1.050 86 E CB 0.808 30.485 29.700 -0.038 0.000 1.068 86 E HN 0.282 nan 8.360 nan 0.000 0.496 87 S N 0.481 116.175 115.700 -0.011 0.000 2.580 87 S HA -0.026 4.444 4.470 -0.000 0.000 0.261 87 S C 1.889 176.532 174.600 0.072 0.000 1.366 87 S CA -0.170 58.043 58.200 0.021 0.000 0.996 87 S CB 0.899 64.105 63.200 0.009 0.000 0.902 87 S HN 0.057 nan 8.310 nan 0.000 0.566 88 V N -0.924 119.025 119.914 0.059 0.000 2.215 88 V HA -0.015 4.105 4.120 -0.000 0.000 0.249 88 V C 1.895 178.044 176.094 0.092 0.000 1.054 88 V CA 1.858 64.196 62.300 0.063 0.000 1.012 88 V CB -1.845 30.005 31.823 0.044 0.000 0.639 88 V HN 1.048 nan 8.190 nan 0.000 0.448 89 G N -1.926 106.940 108.800 0.110 0.000 3.605 89 G HA2 0.187 4.147 3.960 -0.000 0.000 0.277 89 G HA3 0.187 4.147 3.960 -0.000 0.000 0.277 89 G C 0.019 175.023 174.900 0.173 0.000 1.093 89 G CA -0.305 44.878 45.100 0.137 0.000 0.821 89 G HN 0.550 nan 8.290 nan 0.000 0.532 90 Y N 1.923 122.261 120.300 0.062 0.000 2.537 90 Y HA 0.295 4.845 4.550 -0.000 0.000 0.339 90 Y C 0.128 176.082 175.900 0.089 0.000 1.066 90 Y CA -0.247 57.891 58.100 0.065 0.000 1.357 90 Y CB 0.447 38.924 38.460 0.027 0.000 1.175 90 Y HN 0.171 nan 8.280 nan 0.000 0.525 91 E N 4.211 124.142 120.200 -0.449 0.000 2.141 91 E HA 0.172 4.522 4.350 -0.000 0.000 0.259 91 E C -0.728 175.553 176.600 -0.532 0.000 0.883 91 E CA -0.623 55.599 56.400 -0.297 0.000 0.744 91 E CB 1.337 30.973 29.700 -0.107 0.000 1.150 91 E HN 0.489 nan 8.360 nan 0.000 0.420 92 S N 2.758 118.260 115.700 -0.330 0.000 2.533 92 S HA 0.036 4.506 4.470 -0.000 0.000 0.282 92 S C -0.031 174.526 174.600 -0.071 0.000 1.304 92 S CA 0.108 58.226 58.200 -0.137 0.000 1.063 92 S CB 0.372 63.639 63.200 0.112 0.000 0.881 92 S HN 0.371 nan 8.310 nan 0.000 0.493 93 E N 1.863 122.042 120.200 -0.035 0.000 2.518 93 E HA 0.534 4.884 4.350 -0.000 0.000 0.248 93 E C 1.248 177.864 176.600 0.026 0.000 1.028 93 E CA -0.548 55.848 56.400 -0.006 0.000 0.922 93 E CB 0.444 30.142 29.700 -0.002 0.000 1.299 93 E HN 0.610 nan 8.360 nan 0.000 0.457 94 A N 0.239 123.073 122.820 0.023 0.000 1.902 94 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 94 A C 1.488 179.096 177.584 0.040 0.000 1.181 94 A CA 1.356 53.411 52.037 0.029 0.000 0.623 94 A CB -0.368 18.645 19.000 0.021 0.000 0.818 94 A HN 0.444 nan 8.150 nan 0.000 0.443 95 L N -1.676 119.573 121.223 0.044 0.000 2.591 95 L HA 0.398 4.738 4.340 -0.000 0.000 0.197 95 L C -0.211 176.706 176.870 0.078 0.000 1.537 95 L CA -0.566 54.308 54.840 0.056 0.000 3.045 95 L CB 0.011 42.101 42.059 0.052 0.000 2.859 95 L HN 0.264 nan 8.230 nan 0.000 0.957 96 L N -0.515 120.762 121.223 0.091 0.000 2.375 96 L HA 0.455 4.795 4.340 -0.000 0.000 0.268 96 L C 0.628 177.567 176.870 0.116 0.000 1.058 96 L CA -0.280 54.645 54.840 0.140 0.000 0.803 96 L CB 1.016 43.161 42.059 0.144 0.000 1.212 96 L HN 0.371 nan 8.230 nan 0.000 0.451 97 G N -0.960 107.920 108.800 0.133 0.000 2.546 97 G HA2 0.234 4.194 3.960 -0.000 0.000 0.239 97 G HA3 0.234 4.194 3.960 -0.000 0.000 0.239 97 G C -1.437 173.392 174.900 -0.118 0.000 1.476 97 G CA 0.161 45.136 45.100 -0.208 0.000 1.064 97 G HN 0.475 nan 8.290 nan 0.000 0.561 101 Y N 0.481 120.775 120.300 -0.010 0.000 2.530 101 Y HA 0.642 5.192 4.550 -0.000 0.000 0.340 101 Y C 0.923 176.875 175.900 0.086 0.000 1.247 101 Y CA 0.435 58.575 58.100 0.067 0.000 1.727 101 Y CB -0.833 37.753 38.460 0.210 0.000 1.613 101 Y HN 1.316 nan 8.280 nan 0.000 0.464 105 G N -0.994 107.775 108.800 -0.052 0.000 2.379 105 G HA2 0.892 4.852 3.960 -0.000 0.000 0.327 105 G HA3 0.892 4.852 3.960 -0.000 0.000 0.327 105 G C -0.409 174.447 174.900 -0.074 0.000 1.145 105 G CA 0.079 45.157 45.100 -0.037 0.000 0.905 105 G HN 1.762 nan 8.290 nan 0.000 0.466 106 V N 2.153 121.968 119.914 -0.165 0.000 2.409 106 V HA 0.612 4.732 4.120 -0.000 0.000 0.290 106 V C -0.070 175.813 176.094 -0.352 0.000 1.017 106 V CA -0.962 61.115 62.300 -0.370 0.000 0.841 106 V CB 1.906 33.311 31.823 -0.696 0.000 1.003 106 V HN 0.562 nan 8.190 nan 0.000 0.426 107 V N 6.798 126.496 119.914 -0.360 0.000 2.427 107 V HA 0.390 4.510 4.120 -0.000 0.000 0.268 107 V C 0.223 176.274 176.094 -0.071 0.000 1.046 107 V CA -0.021 62.059 62.300 -0.366 0.000 0.970 107 V CB 0.841 32.141 31.823 -0.872 0.000 1.001 107 V HN 0.690 nan 8.190 nan 0.000 0.476 108 I N 6.387 127.036 120.570 0.131 0.000 2.312 108 I HA 0.434 4.604 4.170 -0.000 0.000 0.290 108 I C 0.125 176.521 176.117 0.466 0.000 1.008 108 I CA -0.458 61.006 61.300 0.274 0.000 1.226 108 I CB 0.843 38.964 38.000 0.201 0.000 1.371 108 I HN 0.477 nan 8.210 nan 0.000 0.468 109 K N 6.250 126.898 120.400 0.414 0.000 2.207 109 K HA 0.645 4.965 4.320 -0.000 0.000 0.255 109 K C -1.209 175.526 176.600 0.225 0.000 0.941 109 K CA -0.913 55.566 56.287 0.319 0.000 0.825 109 K CB 2.755 35.392 32.500 0.227 0.000 1.119 109 K HN 0.324 nan 8.250 nan 0.000 0.430 110 L N 2.240 123.445 121.223 -0.030 0.000 2.342 110 L HA 0.434 4.774 4.340 -0.000 0.000 0.276 110 L C -0.107 176.695 176.870 -0.112 0.000 0.997 110 L CA -0.018 54.686 54.840 -0.228 0.000 0.838 110 L CB 1.053 42.584 42.059 -0.880 0.000 1.224 110 L HN 0.749 nan 8.230 nan 0.000 0.416 111 R N 3.413 123.892 120.500 -0.036 0.000 2.649 111 R HA 0.538 4.878 4.340 -0.000 0.000 0.270 111 R C -0.021 176.259 176.300 -0.033 0.000 1.105 111 R CA -0.013 56.080 56.100 -0.012 0.000 1.193 111 R CB -0.029 30.281 30.300 0.017 0.000 1.120 111 R HN 0.774 nan 8.270 nan 0.000 0.561 112 L N -0.048 121.165 121.223 -0.017 0.000 2.367 112 L HA 0.054 4.394 4.340 -0.000 0.000 0.215 112 L C 2.061 178.922 176.870 -0.015 0.000 1.197 112 L CA 1.222 56.050 54.840 -0.020 0.000 0.836 112 L CB 0.512 42.566 42.059 -0.008 0.000 1.242 112 L HN 0.892 nan 8.230 nan 0.000 0.553 113 S N -0.461 115.231 115.700 -0.013 0.000 2.370 113 S HA -0.109 4.361 4.470 -0.000 0.000 0.226 113 S C 0.496 175.096 174.600 -0.001 0.000 1.033 113 S CA 1.283 59.478 58.200 -0.008 0.000 1.011 113 S CB -0.707 62.488 63.200 -0.007 0.000 0.852 113 S HN 0.763 nan 8.310 nan 0.000 0.457 119 K N 0.757 121.168 120.400 0.019 0.000 2.592 119 K HA 0.567 4.887 4.320 -0.000 0.000 0.259 119 K C -1.177 175.437 176.600 0.024 0.000 0.937 119 K CA -0.025 56.277 56.287 0.025 0.000 0.874 119 K CB 0.242 32.758 32.500 0.027 0.000 1.339 119 K HN 0.458 nan 8.250 nan 0.000 0.425 120 N N 1.080 119.797 118.700 0.027 0.000 2.467 120 N HA 0.176 4.916 4.740 -0.000 0.000 0.262 120 N C -0.495 175.030 175.510 0.026 0.000 1.234 120 N CA -0.415 52.650 53.050 0.025 0.000 0.952 120 N CB 0.714 39.216 38.487 0.026 0.000 1.158 120 N HN 0.665 nan 8.380 nan 0.000 0.463 121 N N -0.161 118.551 118.700 0.020 0.000 2.530 121 N HA 0.113 4.852 4.740 -0.000 0.000 0.277 121 N C -0.680 174.841 175.510 0.019 0.000 1.168 121 N CA -0.029 53.031 53.050 0.017 0.000 0.979 121 N CB 0.570 39.063 38.487 0.010 0.000 1.141 121 N HN 0.553 nan 8.380 nan 0.000 0.459 122 D N 1.373 121.783 120.400 0.015 0.000 2.450 122 D HA 0.218 4.858 4.640 -0.000 0.000 0.247 122 D C 0.253 176.558 176.300 0.008 0.000 1.162 122 D CA 0.116 54.125 54.000 0.014 0.000 0.879 122 D CB 0.109 40.908 40.800 -0.002 0.000 1.163 122 D HN 0.330 nan 8.370 nan 0.000 0.472 123 L N 2.396 123.628 121.223 0.015 0.000 2.448 123 L HA 0.620 4.960 4.340 -0.000 0.000 0.258 123 L C 0.576 177.450 176.870 0.007 0.000 1.104 123 L CA -0.076 54.770 54.840 0.011 0.000 0.800 123 L CB 1.259 43.327 42.059 0.016 0.000 1.241 123 L HN 0.497 nan 8.230 nan 0.000 0.472 124 P HA 0.213 nan 4.420 nan 0.000 0.234 124 P C 0.519 177.818 177.300 -0.001 0.000 1.175 124 P CA 0.686 63.785 63.100 -0.002 0.000 0.801 124 P CB -0.133 31.566 31.700 -0.002 0.000 0.891 125 G N -0.125 108.678 108.800 0.005 0.000 2.647 125 G HA2 0.351 4.311 3.960 -0.000 0.000 0.234 125 G HA3 0.351 4.311 3.960 -0.000 0.000 0.234 125 G C -0.200 174.707 174.900 0.011 0.000 1.252 125 G CA 0.085 45.188 45.100 0.006 0.000 0.846 125 G HN 0.540 nan 8.290 nan 0.000 0.589 126 E N -1.503 118.696 120.200 -0.001 0.000 2.416 126 E HA 0.496 4.845 4.350 -0.000 0.000 0.273 126 E C -1.028 175.543 176.600 -0.050 0.000 0.935 126 E CA -0.862 55.532 56.400 -0.010 0.000 0.784 126 E CB 2.594 32.278 29.700 -0.027 0.000 1.301 126 E HN 0.339 nan 8.360 nan 0.000 0.454 127 V N 0.528 120.374 119.914 -0.112 0.000 2.555 127 V HA 0.509 4.629 4.120 -0.000 0.000 0.302 127 V C -0.413 175.323 176.094 -0.595 0.000 1.038 127 V CA -0.812 61.309 62.300 -0.297 0.000 0.887 127 V CB 1.687 33.355 31.823 -0.259 0.000 0.991 127 V HN 0.673 nan 8.190 nan 0.000 0.434 128 T N 4.769 119.019 114.554 -0.506 0.000 2.772 128 T HA 0.694 5.044 4.350 -0.000 0.000 0.288 128 T C -0.681 173.802 174.700 -0.362 0.000 0.994 128 T CA -0.087 61.758 62.100 -0.426 0.000 0.951 128 T CB 0.422 69.169 68.868 -0.201 0.000 0.933 128 T HN 0.325 nan 8.240 nan 0.000 0.447 129 F N 2.112 122.109 119.950 0.079 0.000 2.432 129 F HA 0.645 5.172 4.527 -0.000 0.000 0.329 129 F C 0.048 175.919 175.800 0.118 0.000 1.076 129 F CA -2.183 55.880 58.000 0.106 0.000 1.018 129 F CB 0.655 39.730 39.000 0.124 0.000 1.201 129 F HN 0.511 nan 8.300 nan 0.000 0.489 130 F N 1.199 121.275 119.950 0.210 0.000 2.394 130 F HA 0.588 5.115 4.527 -0.000 0.000 0.340 130 F C -0.197 175.672 175.800 0.115 0.000 1.105 130 F CA -0.339 57.735 58.000 0.123 0.000 1.124 130 F CB 1.142 40.203 39.000 0.102 0.000 1.145 130 F HN 0.405 nan 8.300 nan 0.000 0.505 131 T N 4.762 118.937 114.554 -0.632 0.000 2.928 131 T HA 0.610 4.960 4.350 -0.000 0.000 0.296 131 T C 0.066 174.415 174.700 -0.585 0.000 1.000 131 T CA -0.073 61.628 62.100 -0.665 0.000 0.989 131 T CB 1.136 69.862 68.868 -0.237 0.000 1.005 131 T HN 0.883 nan 8.240 nan 0.000 0.442 132 A N 3.062 125.537 122.820 -0.575 0.000 2.337 132 A HA 0.448 4.768 4.320 -0.000 0.000 0.227 132 A C 0.901 178.440 177.584 -0.075 0.000 1.259 132 A CA -0.130 51.807 52.037 -0.166 0.000 0.870 132 A CB 0.057 19.025 19.000 -0.053 0.000 0.927 132 A HN 0.653 nan 8.150 nan 0.000 0.497 133 S N -0.024 115.622 115.700 -0.091 0.000 2.665 133 S HA 0.176 4.646 4.470 -0.000 0.000 0.235 133 S C 0.966 175.576 174.600 0.016 0.000 1.084 133 S CA -0.036 58.147 58.200 -0.028 0.000 1.151 133 S CB -0.445 62.734 63.200 -0.035 0.000 1.151 133 S HN 0.581 nan 8.310 nan 0.000 0.461 134 I N 0.503 121.092 120.570 0.032 0.000 2.181 134 I HA -0.283 3.887 4.170 -0.000 0.000 0.247 134 I C 1.437 177.687 176.117 0.222 0.000 1.081 134 I CA 1.920 63.279 61.300 0.098 0.000 1.340 134 I CB -0.664 37.376 38.000 0.068 0.000 1.036 134 I HN 0.169 nan 8.210 nan 0.000 0.417 135 D N 0.658 121.142 120.400 0.140 0.000 2.183 135 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 135 D C 2.011 178.359 176.300 0.080 0.000 0.962 135 D CA 0.878 54.947 54.000 0.116 0.000 0.849 135 D CB -0.394 40.448 40.800 0.071 0.000 0.978 135 D HN 0.387 nan 8.370 nan 0.000 0.488 136 K N -0.200 120.236 120.400 0.061 0.000 2.097 136 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 136 K C 1.874 178.502 176.600 0.045 0.000 1.049 136 K CA 0.475 56.783 56.287 0.035 0.000 0.933 136 K CB -0.136 32.373 32.500 0.015 0.000 0.717 136 K HN 0.091 nan 8.250 nan 0.000 0.442 137 L N 1.672 122.951 121.223 0.094 0.000 2.072 137 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 137 L C 2.132 179.086 176.870 0.141 0.000 1.079 137 L CA 1.767 56.688 54.840 0.136 0.000 0.752 137 L CB -0.307 41.878 42.059 0.210 0.000 0.906 137 L HN -0.035 nan 8.230 nan 0.000 0.436 138 K N -0.692 119.804 120.400 0.161 0.000 2.063 138 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 138 K C 2.006 178.550 176.600 -0.094 0.000 1.048 138 K CA 1.468 57.691 56.287 -0.107 0.000 0.928 138 K CB -0.265 32.189 32.500 -0.076 0.000 0.713 138 K HN 0.484 nan 8.250 nan 0.000 0.442 139 A N 1.082 123.885 122.820 -0.028 0.000 1.933 139 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 139 A C 1.871 179.433 177.584 -0.036 0.000 1.175 139 A CA 1.542 53.560 52.037 -0.031 0.000 0.628 139 A CB -0.271 18.721 19.000 -0.013 0.000 0.814 139 A HN 0.259 nan 8.150 nan 0.000 0.444 140 K N -0.616 119.767 120.400 -0.030 0.000 2.103 140 K HA 0.057 4.377 4.320 -0.000 0.000 0.204 140 K C 1.823 178.388 176.600 -0.058 0.000 1.052 140 K CA 1.034 57.295 56.287 -0.045 0.000 0.945 140 K CB -0.282 32.188 32.500 -0.049 0.000 0.722 140 K HN 0.446 nan 8.250 nan 0.000 0.443 141 L N 0.782 121.973 121.223 -0.054 0.000 2.056 141 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 141 L C 2.399 179.238 176.870 -0.051 0.000 1.078 141 L CA 0.951 55.761 54.840 -0.050 0.000 0.749 141 L CB -0.236 41.793 42.059 -0.050 0.000 0.901 141 L HN 0.189 nan 8.230 nan 0.000 0.433 142 I N -0.516 120.011 120.570 -0.072 0.000 2.394 142 I HA -0.259 3.911 4.170 -0.000 0.000 0.251 142 I C 2.482 178.575 176.117 -0.039 0.000 1.136 142 I CA 1.232 62.496 61.300 -0.059 0.000 1.425 142 I CB 0.018 37.976 38.000 -0.069 0.000 1.079 142 I HN 0.323 nan 8.210 nan 0.000 0.425 143 E N 0.604 120.781 120.200 -0.038 0.000 2.347 143 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 143 E C 1.626 178.209 176.600 -0.028 0.000 1.008 143 E CA 1.311 57.692 56.400 -0.031 0.000 0.852 143 E CB 0.241 29.921 29.700 -0.034 0.000 0.783 143 E HN 0.613 nan 8.360 nan 0.000 0.505 144 I N -0.883 119.671 120.570 -0.027 0.000 4.716 144 I HA 0.373 4.543 4.170 -0.000 0.000 0.240 144 I C 1.671 177.803 176.117 0.025 0.000 1.006 144 I CA 0.693 61.988 61.300 -0.009 0.000 1.875 144 I CB -0.954 37.023 38.000 -0.040 0.000 1.537 144 I HN 0.100 nan 8.210 nan 0.000 0.461 145 G N -0.167 108.671 108.800 0.063 0.000 3.022 145 G HA2 0.693 4.653 3.960 -0.000 0.000 0.157 145 G HA3 0.693 4.653 3.960 -0.000 0.000 0.157 145 G C 0.320 175.243 174.900 0.038 0.000 1.468 145 G CA 0.423 45.575 45.100 0.085 0.000 1.058 145 G HN 1.649 nan 8.290 nan 0.000 0.581 146 A N -2.004 120.842 122.820 0.044 0.000 2.337 146 A HA 0.764 5.084 4.320 -0.000 0.000 0.331 146 A C -0.261 177.321 177.584 -0.003 0.000 1.137 146 A CA 0.335 52.376 52.037 0.007 0.000 0.807 146 A CB 1.196 20.196 19.000 0.001 0.000 1.250 146 A HN 1.319 nan 8.150 nan 0.000 0.468 147 E N 1.742 121.912 120.200 -0.049 0.000 2.437 147 E HA 0.555 4.905 4.350 -0.000 0.000 0.238 147 E C -0.680 175.894 176.600 -0.043 0.000 0.969 147 E CA -0.537 55.799 56.400 -0.107 0.000 0.759 147 E CB 0.302 29.841 29.700 -0.268 0.000 1.283 147 E HN 0.619 nan 8.360 nan 0.000 0.416 148 I N 2.134 122.724 120.570 0.033 0.000 2.692 148 I HA 0.157 4.327 4.170 -0.000 0.000 0.284 148 I C 0.610 176.783 176.117 0.094 0.000 1.159 148 I CA -0.509 60.827 61.300 0.059 0.000 1.423 148 I CB 0.860 38.903 38.000 0.072 0.000 1.380 148 I HN 0.474 nan 8.210 nan 0.000 0.580 149 I N 6.452 127.066 120.570 0.072 0.000 2.638 149 I HA 0.258 4.428 4.170 -0.000 0.000 0.286 149 I C -1.793 174.384 176.117 0.100 0.000 1.088 149 I CA -2.052 59.300 61.300 0.085 0.000 1.397 149 I CB -0.441 37.591 38.000 0.052 0.000 1.414 149 I HN 0.393 nan 8.210 nan 0.000 0.566 150 P HA 0.537 nan 4.420 nan 0.000 0.283 150 P C -0.930 176.407 177.300 0.062 0.000 1.271 150 P CA -0.435 62.720 63.100 0.093 0.000 0.841 150 P CB 1.450 33.214 31.700 0.108 0.000 1.122 151 S N -1.120 114.608 115.700 0.047 0.000 2.540 151 S HA 0.729 5.199 4.470 -0.000 0.000 0.275 151 S C -0.078 174.538 174.600 0.027 0.000 1.123 151 S CA 0.180 58.400 58.200 0.033 0.000 0.907 151 S CB 1.024 64.239 63.200 0.025 0.000 1.081 151 S HN 0.782 nan 8.310 nan 0.000 0.476 156 V N 0.876 120.800 119.914 0.016 0.000 2.539 156 V HA 0.334 4.454 4.120 -0.000 0.000 0.300 156 V C 1.416 177.525 176.094 0.025 0.000 1.019 156 V CA 1.204 63.504 62.300 -0.001 0.000 1.160 156 V CB 0.207 32.023 31.823 -0.012 0.000 0.901 156 V HN 0.533 nan 8.190 nan 0.000 0.481 157 E N 4.330 124.509 120.200 -0.034 0.000 2.076 157 E HA 0.165 4.515 4.350 -0.000 0.000 0.190 157 E C 0.252 176.895 176.600 0.072 0.000 0.979 157 E CA 1.590 57.973 56.400 -0.029 0.000 0.807 157 E CB 0.167 29.773 29.700 -0.158 0.000 0.761 157 E HN 0.973 nan 8.360 nan 0.000 0.454 158 F N -3.016 116.976 119.950 0.071 0.000 3.250 158 F HA 0.647 5.174 4.527 -0.000 0.000 0.326 158 F C -0.663 175.172 175.800 0.059 0.000 1.154 158 F CA -1.310 56.725 58.000 0.058 0.000 0.870 158 F CB 0.982 40.016 39.000 0.056 0.000 1.476 158 F HN -0.314 nan 8.300 nan 0.000 0.491 159 S N -0.870 115.106 115.700 0.459 0.000 2.638 159 S HA 0.808 5.278 4.470 -0.000 0.000 0.274 159 S C -1.265 173.515 174.600 0.299 0.000 1.157 159 S CA 0.042 58.418 58.200 0.294 0.000 0.826 159 S CB 2.075 65.365 63.200 0.149 0.000 1.139 159 S HN 1.131 nan 8.310 nan 0.000 0.474 160 T N 0.051 114.745 114.554 0.235 0.000 2.754 160 T HA 0.889 5.239 4.350 -0.000 0.000 0.296 160 T C -1.108 173.662 174.700 0.117 0.000 1.205 160 T CA 0.041 62.258 62.100 0.194 0.000 1.009 160 T CB 1.501 70.538 68.868 0.282 0.000 1.368 160 T HN 1.137 nan 8.240 nan 0.000 0.509 161 R N 0.988 121.514 120.500 0.044 0.000 2.734 161 R HA 0.827 5.167 4.340 -0.000 0.000 0.271 161 R C -1.407 174.684 176.300 -0.348 0.000 1.021 161 R CA -0.431 55.608 56.100 -0.103 0.000 0.893 161 R CB 0.953 31.203 30.300 -0.083 0.000 1.244 161 R HN 0.860 nan 8.270 nan 0.000 0.464 162 D N -1.524 118.605 120.400 -0.452 0.000 3.236 162 D HA 0.481 5.121 4.640 -0.000 0.000 0.325 162 D C -1.643 174.466 176.300 -0.318 0.000 1.352 162 D CA 0.118 53.771 54.000 -0.578 0.000 0.979 162 D CB 1.478 41.660 40.800 -1.030 0.000 1.410 162 D HN 0.274 nan 8.370 nan 0.000 0.588 163 P HA -0.022 nan 4.420 nan 0.000 0.223 163 P C 0.231 177.412 177.300 -0.199 0.000 1.144 163 P CA 0.871 63.872 63.100 -0.165 0.000 0.783 163 P CB 0.286 31.923 31.700 -0.106 0.000 0.771 164 M N 0.339 119.763 119.600 -0.293 0.000 2.167 164 M HA 0.406 4.886 4.480 -0.000 0.000 0.333 164 M C 0.405 176.565 176.300 -0.234 0.000 1.030 164 M CA -0.929 54.148 55.300 -0.373 0.000 0.963 164 M CB 1.519 33.642 32.600 -0.796 0.000 1.589 164 M HN -0.207 nan 8.290 nan 0.000 0.431 165 G N 3.217 111.929 108.800 -0.147 0.000 2.325 165 G HA2 0.536 4.496 3.960 -0.000 0.000 0.298 165 G HA3 0.536 4.496 3.960 -0.000 0.000 0.298 165 G C -0.784 174.124 174.900 0.013 0.000 1.134 165 G CA -0.300 44.770 45.100 -0.050 0.000 0.876 165 G HN 0.625 nan 8.290 nan 0.000 0.452 166 D N 0.602 121.058 120.400 0.094 0.000 2.671 166 D HA 0.452 5.092 4.640 -0.000 0.000 0.232 166 D C -0.083 176.274 176.300 0.094 0.000 1.114 166 D CA -0.143 53.933 54.000 0.126 0.000 0.858 166 D CB 2.695 43.706 40.800 0.351 0.000 1.544 166 D HN 0.262 nan 8.370 nan 0.000 0.471 167 V N 0.229 120.122 119.914 -0.034 0.000 2.975 167 V HA 0.691 4.811 4.120 -0.000 0.000 0.318 167 V C 0.127 176.174 176.094 -0.079 0.000 1.077 167 V CA -0.782 61.493 62.300 -0.040 0.000 1.000 167 V CB 1.716 33.497 31.823 -0.070 0.000 1.066 167 V HN 0.417 nan 8.190 nan 0.000 0.452 168 I N 1.598 122.110 120.570 -0.096 0.000 2.656 168 I HA 0.694 4.864 4.170 -0.000 0.000 0.292 168 I C 0.048 176.059 176.117 -0.177 0.000 1.144 168 I CA 0.369 61.587 61.300 -0.137 0.000 1.038 168 I CB 2.320 40.168 38.000 -0.254 0.000 1.244 168 I HN 1.061 nan 8.210 nan 0.000 0.420 169 S N 4.445 120.116 115.700 -0.049 0.000 3.407 169 S HA 0.612 5.082 4.470 -0.000 0.000 0.315 169 S C -1.184 173.577 174.600 0.268 0.000 1.211 169 S CA -0.763 57.472 58.200 0.058 0.000 1.148 169 S CB 0.773 63.969 63.200 -0.007 0.000 1.511 169 S HN 0.454 nan 8.310 nan 0.000 0.604 170 F N 1.972 122.039 119.950 0.195 0.000 2.522 170 F HA 0.882 5.409 4.527 -0.000 0.000 0.324 170 F C 0.441 176.345 175.800 0.174 0.000 1.077 170 F CA -0.441 57.775 58.000 0.359 0.000 0.944 170 F CB 1.333 40.462 39.000 0.216 0.000 1.175 170 F HN 0.842 nan 8.300 nan 0.000 0.468 171 S N 0.622 116.263 115.700 -0.098 0.000 2.647 171 S HA 0.013 4.482 4.470 -0.000 0.000 0.251 171 S C 1.318 175.805 174.600 -0.188 0.000 1.320 171 S CA 0.111 58.159 58.200 -0.254 0.000 0.968 171 S CB 0.316 63.202 63.200 -0.523 0.000 1.005 171 S HN 0.892 nan 8.310 nan 0.000 0.576 172 S N -1.069 114.567 115.700 -0.108 0.000 2.507 172 S HA 0.054 4.524 4.470 -0.000 0.000 0.235 172 S C 0.165 174.734 174.600 -0.051 0.000 0.988 172 S CA 0.304 58.441 58.200 -0.105 0.000 0.944 172 S CB -0.798 62.328 63.200 -0.123 0.000 0.762 172 S HN 0.529 nan 8.310 nan 0.000 0.526 173 Y N 1.423 121.699 120.300 -0.039 0.000 2.258 173 Y HA 0.208 4.757 4.550 -0.000 0.000 0.345 173 Y C -0.883 175.103 175.900 0.144 0.000 1.303 173 Y CA -1.477 56.633 58.100 0.017 0.000 1.537 173 Y CB -0.026 38.405 38.460 -0.050 0.000 1.383 173 Y HN 0.087 nan 8.280 nan 0.000 0.606 174 P HA -0.040 nan 4.420 nan 0.000 0.216 174 P C -0.612 176.702 177.300 0.023 0.000 1.153 174 P CA 1.200 64.404 63.100 0.174 0.000 0.844 174 P CB 0.263 32.020 31.700 0.094 0.000 0.787 175 S N -2.689 113.038 115.700 0.045 0.000 2.661 175 S HA 0.756 5.226 4.470 -0.000 0.000 0.285 175 S C -0.383 174.280 174.600 0.106 0.000 1.138 175 S CA -0.838 57.328 58.200 -0.055 0.000 0.855 175 S CB 0.848 64.005 63.200 -0.073 0.000 1.136 175 S HN 0.089 nan 8.310 nan 0.000 0.484 179 K N 1.355 121.768 120.400 0.020 0.000 2.046 179 K HA 0.469 4.789 4.320 -0.000 0.000 0.248 179 K C 1.164 177.768 176.600 0.008 0.000 1.123 179 K CA 0.763 57.056 56.287 0.011 0.000 1.145 179 K CB -1.297 31.208 32.500 0.008 0.000 1.028 179 K HN 0.730 nan 8.250 nan 0.000 0.354 180 K N 1.245 121.647 120.400 0.005 0.000 2.062 180 K HA 0.320 4.640 4.320 -0.000 0.000 0.205 180 K C 1.612 178.209 176.600 -0.005 0.000 1.051 180 K CA 1.491 57.777 56.287 -0.000 0.000 0.941 180 K CB -0.861 31.636 32.500 -0.005 0.000 0.719 180 K HN 1.466 nan 8.250 nan 0.000 0.440 181 I N 2.888 123.456 120.570 -0.004 0.000 2.347 181 I HA 0.647 4.817 4.170 -0.000 0.000 0.294 181 I C 0.816 176.934 176.117 0.000 0.000 1.090 181 I CA -0.063 61.235 61.300 -0.003 0.000 1.314 181 I CB -0.862 37.135 38.000 -0.004 0.000 1.423 181 I HN 0.671 nan 8.210 nan 0.000 0.503 182 T N 3.695 118.250 114.554 0.003 0.000 2.899 182 T HA 0.738 5.088 4.350 -0.000 0.000 0.284 182 T C 0.807 175.514 174.700 0.012 0.000 1.004 182 T CA 0.039 62.143 62.100 0.007 0.000 1.043 182 T CB 0.178 69.050 68.868 0.008 0.000 1.013 182 T HN 1.860 nan 8.240 nan 0.000 0.518 183 S N 3.116 118.825 115.700 0.014 0.000 2.430 183 S HA 0.544 5.014 4.470 -0.000 0.000 0.282 183 S C -1.874 172.739 174.600 0.022 0.000 1.186 183 S CA -1.255 56.954 58.200 0.016 0.000 1.060 183 S CB -0.802 62.407 63.200 0.016 0.000 0.966 183 S HN 0.598 nan 8.310 nan 0.000 0.501 184 P HA 0.312 nan 4.420 nan 0.000 0.271 184 P C -0.623 176.692 177.300 0.026 0.000 1.220 184 P CA -0.379 62.737 63.100 0.025 0.000 0.768 184 P CB 0.518 32.231 31.700 0.022 0.000 0.848 185 D N 0.391 120.809 120.400 0.030 0.000 2.362 185 D HA 0.354 4.994 4.640 -0.000 0.000 0.238 185 D C 0.277 176.592 176.300 0.025 0.000 1.212 185 D CA 0.430 54.448 54.000 0.029 0.000 0.902 185 D CB 0.219 41.039 40.800 0.033 0.000 1.180 185 D HN 0.255 nan 8.370 nan 0.000 0.445 209 G N 2.407 111.228 108.800 0.035 0.000 2.404 209 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 209 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 209 G C 0.444 175.361 174.900 0.029 0.000 1.174 209 G CA 0.639 45.754 45.100 0.026 0.000 0.780 209 G HN 0.216 nan 8.290 nan 0.000 0.537 210 K N -0.290 120.136 120.400 0.043 0.000 2.155 210 K HA 0.424 4.744 4.320 -0.000 0.000 0.237 210 K C -0.215 176.422 176.600 0.062 0.000 1.040 210 K CA -0.505 55.812 56.287 0.050 0.000 0.912 210 K CB 0.756 33.291 32.500 0.058 0.000 1.137 210 K HN -0.076 nan 8.250 nan 0.000 0.498 211 K N 1.427 121.866 120.400 0.065 0.000 2.211 211 K HA 0.123 4.443 4.320 -0.000 0.000 0.275 211 K C -0.945 175.716 176.600 0.103 0.000 1.024 211 K CA -0.239 56.089 56.287 0.068 0.000 0.887 211 K CB 0.762 33.291 32.500 0.048 0.000 1.084 211 K HN 0.254 nan 8.250 nan 0.000 0.463 212 K N 5.057 125.521 120.400 0.106 0.000 2.266 212 K HA 0.282 4.602 4.320 -0.000 0.000 0.274 212 K C -0.531 176.137 176.600 0.114 0.000 1.090 212 K CA -0.224 56.153 56.287 0.150 0.000 0.925 212 K CB 0.613 33.140 32.500 0.045 0.000 1.225 212 K HN 0.436 nan 8.250 nan 0.000 0.458 213 I N 2.627 123.277 120.570 0.133 0.000 2.331 213 I HA 0.219 4.389 4.170 -0.000 0.000 0.292 213 I C 0.213 176.385 176.117 0.091 0.000 0.998 213 I CA -0.540 60.806 61.300 0.077 0.000 1.267 213 I CB 1.512 39.542 38.000 0.050 0.000 1.386 213 I HN 0.534 nan 8.210 nan 0.000 0.476 214 A N 7.190 130.038 122.820 0.047 0.000 2.301 214 A HA 0.710 5.030 4.320 -0.000 0.000 0.312 214 A C -0.758 176.807 177.584 -0.031 0.000 1.182 214 A CA -0.422 51.633 52.037 0.030 0.000 0.826 214 A CB 0.890 19.899 19.000 0.015 0.000 1.134 214 A HN 0.658 nan 8.150 nan 0.000 0.501 215 I N 3.184 123.713 120.570 -0.068 0.000 2.406 215 I HA 0.656 4.826 4.170 -0.000 0.000 0.290 215 I C -0.705 175.306 176.117 -0.177 0.000 0.999 215 I CA -0.892 60.338 61.300 -0.118 0.000 1.124 215 I CB 1.302 39.233 38.000 -0.115 0.000 1.289 215 I HN 0.601 nan 8.210 nan 0.000 0.441 216 I N 4.489 124.933 120.570 -0.209 0.000 2.498 216 I HA 0.698 4.868 4.170 -0.000 0.000 0.290 216 I C -0.688 175.265 176.117 -0.272 0.000 1.032 216 I CA -0.235 60.895 61.300 -0.284 0.000 1.073 216 I CB 2.266 40.021 38.000 -0.408 0.000 1.251 216 I HN 0.647 nan 8.210 nan 0.000 0.426 217 T N 2.140 116.545 114.554 -0.248 0.000 2.821 217 T HA 0.611 4.961 4.350 -0.000 0.000 0.307 217 T C -0.193 174.380 174.700 -0.212 0.000 1.034 217 T CA -0.567 61.415 62.100 -0.197 0.000 0.953 217 T CB 0.902 69.685 68.868 -0.142 0.000 0.968 217 T HN 0.734 nan 8.240 nan 0.000 0.462 218 S N 2.542 118.103 115.700 -0.231 0.000 2.600 218 S HA 0.907 5.377 4.470 -0.000 0.000 0.300 218 S C 0.614 175.157 174.600 -0.095 0.000 1.087 218 S CA 0.643 58.716 58.200 -0.212 0.000 0.965 218 S CB 0.819 63.788 63.200 -0.386 0.000 1.089 218 S HN 1.983 nan 8.310 nan 0.000 0.496 219 G N 1.211 109.988 108.800 -0.038 0.000 2.660 219 G HA2 0.116 4.076 3.960 -0.000 0.000 0.215 219 G HA3 0.116 4.076 3.960 -0.000 0.000 0.215 219 G C 0.249 175.156 174.900 0.012 0.000 1.345 219 G CA -0.331 44.772 45.100 0.005 0.000 0.877 219 G HN 1.418 nan 8.290 nan 0.000 0.549 220 G N -0.464 108.355 108.800 0.031 0.000 2.544 220 G HA2 0.467 4.427 3.960 -0.000 0.000 0.242 220 G HA3 0.467 4.427 3.960 -0.000 0.000 0.242 220 G C 0.005 174.919 174.900 0.023 0.000 1.247 220 G CA 0.722 45.849 45.100 0.044 0.000 0.840 220 G HN 0.821 nan 8.290 nan 0.000 0.578 221 D N -0.177 120.244 120.400 0.035 0.000 2.449 221 D HA 0.430 5.070 4.640 -0.000 0.000 0.236 221 D C 0.395 176.681 176.300 -0.022 0.000 1.149 221 D CA 1.450 55.453 54.000 0.005 0.000 0.878 221 D CB 0.904 41.712 40.800 0.013 0.000 1.198 221 D HN 0.612 nan 8.370 nan 0.000 0.446 222 A N 2.349 125.153 122.820 -0.026 0.000 2.466 222 A HA 0.504 4.824 4.320 -0.000 0.000 0.284 222 A C -2.766 174.805 177.584 -0.022 0.000 1.049 222 A CA -1.455 50.568 52.037 -0.023 0.000 0.760 222 A CB 1.306 20.292 19.000 -0.023 0.000 1.274 222 A HN 0.279 nan 8.150 nan 0.000 0.412 223 P HA 0.405 nan 4.420 nan 0.000 0.270 223 P C 1.050 178.345 177.300 -0.008 0.000 1.242 223 P CA 1.558 64.655 63.100 -0.006 0.000 0.768 223 P CB 0.873 32.579 31.700 0.010 0.000 0.820 224 G N 2.766 111.549 108.800 -0.029 0.000 2.551 224 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.186 224 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.186 224 G C 1.058 175.915 174.900 -0.072 0.000 1.002 224 G CA 0.064 45.133 45.100 -0.051 0.000 0.723 224 G HN 0.388 nan 8.290 nan 0.000 0.481 225 M N 0.584 120.145 119.600 -0.064 0.000 2.106 225 M HA -0.083 4.397 4.480 -0.000 0.000 0.259 225 M C 2.387 178.636 176.300 -0.085 0.000 1.068 225 M CA 1.857 57.111 55.300 -0.077 0.000 1.100 225 M CB -0.373 32.187 32.600 -0.067 0.000 1.351 225 M HN 0.258 nan 8.290 nan 0.000 0.404 226 N N 0.541 119.197 118.700 -0.073 0.000 2.120 226 N HA -0.077 4.663 4.740 -0.000 0.000 0.188 226 N C 1.685 177.136 175.510 -0.097 0.000 1.024 226 N CA 1.696 54.698 53.050 -0.079 0.000 0.852 226 N CB -0.368 38.082 38.487 -0.061 0.000 1.003 226 N HN 0.337 nan 8.380 nan 0.000 0.424 227 A N 0.859 123.622 122.820 -0.096 0.000 1.940 227 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 227 A C 2.351 179.855 177.584 -0.134 0.000 1.176 227 A CA 1.986 53.954 52.037 -0.115 0.000 0.631 227 A CB -0.787 18.148 19.000 -0.107 0.000 0.814 227 A HN 0.331 nan 8.150 nan 0.000 0.446 228 A N -0.603 122.140 122.820 -0.128 0.000 1.877 228 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 228 A C 2.229 179.736 177.584 -0.128 0.000 1.186 228 A CA 1.766 53.723 52.037 -0.133 0.000 0.620 228 A CB -0.967 17.959 19.000 -0.124 0.000 0.822 228 A HN 0.398 nan 8.150 nan 0.000 0.443 229 V N 0.249 120.088 119.914 -0.125 0.000 2.343 229 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 229 V C 2.679 178.691 176.094 -0.138 0.000 1.051 229 V CA 2.311 64.535 62.300 -0.128 0.000 1.036 229 V CB -0.826 30.920 31.823 -0.127 0.000 0.654 229 V HN 0.681 nan 8.190 nan 0.000 0.451 230 R N 0.241 120.651 120.500 -0.151 0.000 2.081 230 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 230 R C 2.258 178.436 176.300 -0.204 0.000 1.131 230 R CA 1.687 57.672 56.100 -0.191 0.000 0.960 230 R CB -0.383 29.800 30.300 -0.195 0.000 0.856 230 R HN 0.477 nan 8.270 nan 0.000 0.436 231 A N 0.319 123.036 122.820 -0.172 0.000 1.898 231 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 231 A C 2.255 179.773 177.584 -0.110 0.000 1.181 231 A CA 1.352 53.296 52.037 -0.155 0.000 0.620 231 A CB -0.429 18.480 19.000 -0.153 0.000 0.819 231 A HN 0.215 nan 8.150 nan 0.000 0.442 232 V N -0.100 119.754 119.914 -0.101 0.000 2.261 232 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 232 V C 2.749 178.816 176.094 -0.046 0.000 1.047 232 V CA 2.507 64.769 62.300 -0.065 0.000 1.015 232 V CB -1.407 30.372 31.823 -0.074 0.000 0.642 232 V HN 0.606 nan 8.190 nan 0.000 0.446 233 T N -0.036 114.470 114.554 -0.080 0.000 2.555 233 T HA -0.269 4.081 4.350 -0.000 0.000 0.264 233 T C 2.070 176.743 174.700 -0.045 0.000 1.083 233 T CA 2.002 64.059 62.100 -0.071 0.000 1.179 233 T CB -0.332 68.466 68.868 -0.116 0.000 0.863 233 T HN 0.347 nan 8.240 nan 0.000 0.412 234 R N 0.863 121.277 120.500 -0.144 0.000 2.105 234 R HA 0.005 4.345 4.340 -0.000 0.000 0.239 234 R C 2.760 179.104 176.300 0.074 0.000 1.135 234 R CA 1.282 57.290 56.100 -0.153 0.000 0.967 234 R CB -0.505 29.477 30.300 -0.530 0.000 0.861 234 R HN 0.410 nan 8.270 nan 0.000 0.442 235 A N 0.331 123.175 122.820 0.040 0.000 1.898 235 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 235 A C 2.365 180.112 177.584 0.271 0.000 1.181 235 A CA 1.612 53.733 52.037 0.141 0.000 0.620 235 A CB -1.081 17.999 19.000 0.134 0.000 0.819 235 A HN 0.465 nan 8.150 nan 0.000 0.442 236 G N 0.166 109.077 108.800 0.185 0.000 2.446 236 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 236 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 236 G C 1.528 176.537 174.900 0.180 0.000 1.168 236 G CA 1.205 46.411 45.100 0.177 0.000 0.771 236 G HN 0.465 nan 8.290 nan 0.000 0.551 237 I N -0.426 120.252 120.570 0.179 0.000 2.142 237 I HA -0.113 4.057 4.170 -0.000 0.000 0.240 237 I C 2.409 178.617 176.117 0.152 0.000 1.078 237 I CA 1.088 62.495 61.300 0.179 0.000 1.343 237 I CB -0.285 37.886 38.000 0.286 0.000 1.046 237 I HN 0.201 nan 8.210 nan 0.000 0.405 238 F N 0.770 120.739 119.950 0.032 0.000 2.120 238 F HA -0.304 4.223 4.527 -0.000 0.000 0.300 238 F C 1.929 177.608 175.800 -0.202 0.000 1.095 238 F CA 1.673 59.595 58.000 -0.129 0.000 1.249 238 F CB -0.260 38.589 39.000 -0.252 0.000 0.995 238 F HN 0.020 nan 8.300 nan 0.000 0.480 239 Y N 0.730 121.077 120.300 0.079 0.000 2.502 239 Y HA 0.252 4.802 4.550 -0.000 0.000 0.295 239 Y C 1.577 177.437 175.900 -0.067 0.000 1.193 239 Y CA 0.241 58.323 58.100 -0.030 0.000 1.295 239 Y CB -0.391 38.116 38.460 0.078 0.000 1.059 239 Y HN 0.204 nan 8.280 nan 0.000 0.514 240 G N -0.374 108.444 108.800 0.031 0.000 2.248 240 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.252 240 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.252 240 G C -0.251 174.680 174.900 0.050 0.000 1.085 240 G CA -0.106 44.999 45.100 0.010 0.000 0.845 240 G HN 0.332 nan 8.290 nan 0.000 0.494 241 C N -0.636 118.712 119.300 0.080 0.000 2.668 241 C HA 0.833 5.293 4.460 -0.000 0.000 0.355 241 C C 0.453 175.493 174.990 0.082 0.000 1.277 241 C CA -1.051 58.019 59.018 0.086 0.000 1.787 241 C CB 1.974 29.774 27.740 0.099 0.000 2.233 241 C HN 0.491 nan 8.230 nan 0.000 0.495 242 K N 1.040 121.502 120.400 0.103 0.000 2.339 242 K HA 0.578 4.897 4.320 -0.000 0.000 0.264 242 K C -1.359 175.296 176.600 0.092 0.000 0.986 242 K CA -0.246 56.090 56.287 0.081 0.000 0.866 242 K CB 1.575 34.168 32.500 0.155 0.000 1.103 242 K HN 0.410 nan 8.250 nan 0.000 0.441 243 V N 4.510 124.410 119.914 -0.024 0.000 2.383 243 V HA 0.217 4.337 4.120 -0.000 0.000 0.275 243 V C -0.762 175.248 176.094 -0.139 0.000 1.036 243 V CA -0.604 61.689 62.300 -0.011 0.000 0.889 243 V CB 0.046 31.858 31.823 -0.019 0.000 0.985 243 V HN 0.576 nan 8.190 nan 0.000 0.459 244 Y N 2.778 123.067 120.300 -0.018 0.000 2.331 244 Y HA 0.650 5.200 4.550 -0.000 0.000 0.338 244 Y C 0.597 176.446 175.900 -0.084 0.000 0.992 244 Y CA -0.513 57.572 58.100 -0.024 0.000 1.121 244 Y CB 1.671 40.128 38.460 -0.004 0.000 1.184 244 Y HN 0.708 nan 8.280 nan 0.000 0.469 245 A N 2.408 125.204 122.820 -0.040 0.000 2.363 245 A HA 0.416 4.735 4.320 -0.000 0.000 0.270 245 A C -0.589 176.840 177.584 -0.259 0.000 1.121 245 A CA -0.485 51.385 52.037 -0.278 0.000 0.800 245 A CB 0.120 18.768 19.000 -0.587 0.000 1.052 245 A HN 0.907 nan 8.150 nan 0.000 0.493 246 C N 4.854 123.985 119.300 -0.282 0.000 2.258 246 C HA 0.640 5.100 4.460 -0.000 0.000 0.321 246 C C -0.519 174.339 174.990 -0.220 0.000 1.168 246 C CA -1.055 57.873 59.018 -0.150 0.000 1.531 246 C CB -2.072 25.604 27.740 -0.106 0.000 2.095 246 C HN 0.694 nan 8.230 nan 0.000 0.449 247 Y N 4.180 124.462 120.300 -0.031 0.000 2.480 247 Y HA 0.235 4.785 4.550 -0.000 0.000 0.338 247 Y C 1.329 177.200 175.900 -0.048 0.000 1.220 247 Y CA 0.959 59.037 58.100 -0.036 0.000 1.430 247 Y CB 0.490 38.940 38.460 -0.016 0.000 1.311 247 Y HN 0.638 nan 8.280 nan 0.000 0.575 248 E N 1.234 121.488 120.200 0.090 0.000 2.240 248 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 248 E C 0.905 177.482 176.600 -0.039 0.000 1.385 248 E CA 0.933 57.350 56.400 0.028 0.000 0.686 248 E CB -1.592 28.139 29.700 0.053 0.000 1.125 248 E HN 1.049 nan 8.360 nan 0.000 0.359 249 G N 0.618 109.344 108.800 -0.124 0.000 2.627 249 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.312 249 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.312 249 G C 0.610 175.323 174.900 -0.312 0.000 1.299 249 G CA 0.810 45.754 45.100 -0.261 0.000 0.989 249 G HN 0.373 nan 8.290 nan 0.000 0.547 250 Y N 1.884 122.043 120.300 -0.235 0.000 2.421 250 Y HA -0.033 4.517 4.550 -0.000 0.000 0.292 250 Y C 3.326 179.136 175.900 -0.150 0.000 1.136 250 Y CA 2.291 60.182 58.100 -0.349 0.000 1.255 250 Y CB -0.833 37.248 38.460 -0.632 0.000 0.991 250 Y HN 0.757 nan 8.280 nan 0.000 0.552 251 T N -3.046 111.545 114.554 0.063 0.000 2.720 251 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 251 T C 2.350 177.089 174.700 0.065 0.000 1.037 251 T CA 1.464 63.608 62.100 0.073 0.000 1.144 251 T CB -1.015 67.889 68.868 0.060 0.000 0.864 251 T HN 0.364 nan 8.240 nan 0.000 0.444 252 G N 0.720 109.546 108.800 0.043 0.000 2.443 252 G HA2 0.034 3.994 3.960 -0.000 0.000 0.219 252 G HA3 0.034 3.994 3.960 -0.000 0.000 0.219 252 G C 1.445 176.380 174.900 0.058 0.000 1.131 252 G CA 0.703 45.840 45.100 0.062 0.000 0.775 252 G HN 0.492 nan 8.290 nan 0.000 0.547 253 L N 0.508 121.751 121.223 0.033 0.000 2.179 253 L HA 0.150 4.490 4.340 -0.000 0.000 0.208 253 L C 2.771 179.710 176.870 0.116 0.000 1.096 253 L CA 0.987 55.859 54.840 0.054 0.000 0.779 253 L CB 0.016 42.077 42.059 0.004 0.000 0.922 253 L HN 0.066 nan 8.230 nan 0.000 0.443 254 V N 0.262 120.254 119.914 0.130 0.000 2.346 254 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 254 V C 1.962 178.129 176.094 0.121 0.000 1.037 254 V CA 1.799 64.189 62.300 0.151 0.000 1.029 254 V CB -0.736 31.186 31.823 0.165 0.000 0.663 254 V HN 0.568 nan 8.190 nan 0.000 0.454 255 K N 1.605 122.064 120.400 0.099 0.000 2.596 255 K HA 0.212 4.532 4.320 -0.000 0.000 0.211 255 K C 0.817 177.469 176.600 0.087 0.000 1.046 255 K CA 0.154 56.493 56.287 0.086 0.000 1.202 255 K CB -0.019 32.522 32.500 0.068 0.000 0.925 255 K HN 0.303 nan 8.250 nan 0.000 0.486 256 G N 0.887 109.745 108.800 0.097 0.000 2.178 256 G HA2 0.186 4.146 3.960 -0.000 0.000 0.276 256 G HA3 0.186 4.146 3.960 -0.000 0.000 0.276 256 G C 0.268 175.216 174.900 0.080 0.000 1.038 256 G CA 0.198 45.351 45.100 0.088 0.000 1.177 256 G HN 0.495 nan 8.290 nan 0.000 0.396 257 G N 1.715 110.560 108.800 0.075 0.000 2.736 257 G HA2 0.080 4.040 3.960 -0.000 0.000 0.152 257 G HA3 0.080 4.040 3.960 -0.000 0.000 0.152 257 G C 0.709 175.650 174.900 0.069 0.000 1.537 257 G CA 0.568 45.707 45.100 0.065 0.000 0.861 257 G HN 0.461 nan 8.290 nan 0.000 0.736 258 D N -0.267 120.168 120.400 0.059 0.000 2.347 258 D HA 0.114 4.754 4.640 -0.000 0.000 0.213 258 D C 2.293 178.631 176.300 0.064 0.000 0.985 258 D CA 0.345 54.375 54.000 0.049 0.000 0.879 258 D CB 0.106 40.917 40.800 0.018 0.000 0.919 258 D HN 0.081 nan 8.370 nan 0.000 0.526 259 M N -0.045 119.613 119.600 0.096 0.000 2.492 259 M HA 0.031 4.511 4.480 -0.000 0.000 0.262 259 M C -0.078 176.387 176.300 0.276 0.000 1.090 259 M CA 0.510 55.909 55.300 0.164 0.000 1.110 259 M CB 0.171 32.846 32.600 0.124 0.000 1.407 259 M HN 0.036 nan 8.290 nan 0.000 0.470 260 L N 1.469 122.816 121.223 0.207 0.000 2.283 260 L HA 0.355 4.695 4.340 -0.000 0.000 0.281 260 L C -0.443 176.609 176.870 0.303 0.000 1.033 260 L CA 0.222 55.193 54.840 0.219 0.000 0.848 260 L CB 0.650 42.776 42.059 0.110 0.000 1.226 260 L HN 0.087 nan 8.230 nan 0.000 0.429 261 K N 2.281 122.916 120.400 0.390 0.000 2.371 261 K HA 0.384 4.704 4.320 -0.000 0.000 0.251 261 K C -0.262 176.447 176.600 0.182 0.000 0.934 261 K CA -0.756 55.731 56.287 0.334 0.000 0.798 261 K CB 2.669 35.372 32.500 0.338 0.000 1.204 261 K HN 0.369 nan 8.250 nan 0.000 0.427 262 E N 2.425 122.575 120.200 -0.084 0.000 2.390 262 E HA 0.133 4.483 4.350 -0.000 0.000 0.261 262 E C -0.871 175.608 176.600 -0.202 0.000 1.076 262 E CA -0.085 56.008 56.400 -0.512 0.000 0.905 262 E CB 0.672 29.952 29.700 -0.699 0.000 0.984 262 E HN 0.341 nan 8.360 nan 0.000 0.427 263 L N 3.803 124.899 121.223 -0.213 0.000 2.322 263 L HA 0.276 4.616 4.340 -0.000 0.000 0.281 263 L C 0.038 176.863 176.870 -0.075 0.000 1.014 263 L CA -0.818 53.962 54.840 -0.100 0.000 0.815 263 L CB 1.614 43.616 42.059 -0.095 0.000 1.247 263 L HN 0.366 nan 8.230 nan 0.000 0.421 264 Q N 0.987 120.775 119.800 -0.020 0.000 2.215 264 Q HA 0.052 4.392 4.340 -0.000 0.000 0.256 264 Q C 0.370 176.431 176.000 0.102 0.000 0.972 264 Q CA -0.534 55.296 55.803 0.044 0.000 0.889 264 Q CB 1.625 30.392 28.738 0.049 0.000 1.281 264 Q HN 0.676 nan 8.270 nan 0.000 0.456 265 W N 1.682 122.957 121.300 -0.041 0.000 2.313 265 W HA -0.238 4.421 4.660 -0.000 0.000 0.293 265 W C 1.946 178.441 176.519 -0.039 0.000 1.216 265 W CA 1.909 59.232 57.345 -0.037 0.000 1.223 265 W CB 0.401 29.843 29.460 -0.029 0.000 1.138 265 W HN 0.705 nan 8.180 nan 0.000 0.535 266 Q N -0.667 119.267 119.800 0.223 0.000 2.354 266 Q HA -0.135 4.205 4.340 -0.000 0.000 0.203 266 Q C 1.499 177.509 176.000 0.016 0.000 0.933 266 Q CA 1.153 57.028 55.803 0.119 0.000 0.901 266 Q CB -0.049 28.763 28.738 0.122 0.000 1.007 266 Q HN 0.133 nan 8.270 nan 0.000 0.495 267 D N -0.123 120.280 120.400 0.005 0.000 2.178 267 D HA -0.137 4.503 4.640 -0.000 0.000 0.201 267 D C 1.481 177.749 176.300 -0.053 0.000 0.980 267 D CA 1.238 55.229 54.000 -0.015 0.000 0.842 267 D CB 0.100 40.897 40.800 -0.006 0.000 0.948 267 D HN 0.269 nan 8.370 nan 0.000 0.472 268 V N -1.607 118.243 119.914 -0.106 0.000 3.499 268 V HA 0.218 4.338 4.120 -0.000 0.000 0.308 268 V C 0.741 176.732 176.094 -0.173 0.000 1.319 268 V CA -0.463 61.748 62.300 -0.148 0.000 1.194 268 V CB -0.809 30.899 31.823 -0.193 0.000 1.072 268 V HN -0.107 nan 8.190 nan 0.000 0.426 269 R N 1.290 121.710 120.500 -0.135 0.000 2.640 269 R HA 0.348 4.688 4.340 -0.000 0.000 0.270 269 R C 1.528 177.769 176.300 -0.098 0.000 1.024 269 R CA 0.975 57.001 56.100 -0.123 0.000 1.085 269 R CB 0.340 30.599 30.300 -0.070 0.000 0.963 269 R HN 0.740 nan 8.270 nan 0.000 0.426 270 G N 2.820 111.562 108.800 -0.098 0.000 2.244 270 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.274 270 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.274 270 G C 0.727 175.585 174.900 -0.070 0.000 1.002 270 G CA 0.374 45.431 45.100 -0.073 0.000 0.740 270 G HN 0.602 nan 8.290 nan 0.000 0.516 271 L N -0.047 121.122 121.223 -0.089 0.000 2.456 271 L HA 0.027 4.367 4.340 -0.000 0.000 0.224 271 L C 2.869 179.694 176.870 -0.075 0.000 1.148 271 L CA 1.387 56.179 54.840 -0.081 0.000 0.825 271 L CB -0.395 41.605 42.059 -0.099 0.000 0.937 271 L HN 0.635 nan 8.230 nan 0.000 0.450 272 L N -2.621 118.555 121.223 -0.079 0.000 2.465 272 L HA 0.020 4.360 4.340 -0.000 0.000 0.224 272 L C 1.873 178.719 176.870 -0.039 0.000 1.145 272 L CA 1.062 55.863 54.840 -0.065 0.000 0.834 272 L CB -0.413 41.602 42.059 -0.074 0.000 0.944 272 L HN 0.211 nan 8.230 nan 0.000 0.451 273 S N -1.624 114.055 115.700 -0.034 0.000 2.663 273 S HA 0.339 4.809 4.470 -0.000 0.000 0.243 273 S C 1.065 175.654 174.600 -0.018 0.000 1.009 273 S CA -0.657 57.531 58.200 -0.020 0.000 0.988 273 S CB 0.110 63.299 63.200 -0.018 0.000 0.896 273 S HN 0.247 nan 8.310 nan 0.000 0.502 274 I N 1.826 122.382 120.570 -0.024 0.000 5.197 274 I HA 0.488 4.658 4.170 -0.000 0.000 0.229 274 I C 1.441 177.550 176.117 -0.014 0.000 0.946 274 I CA 0.999 62.287 61.300 -0.019 0.000 1.629 274 I CB -1.822 36.163 38.000 -0.024 0.000 1.444 274 I HN 0.501 nan 8.210 nan 0.000 0.457 275 G N 0.077 108.865 108.800 -0.020 0.000 2.778 275 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.686 275 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.686 275 G C 0.524 175.422 174.900 -0.003 0.000 1.309 275 G CA -0.048 45.043 45.100 -0.016 0.000 0.904 275 G HN 0.820 nan 8.290 nan 0.000 0.593 276 G N -0.099 108.702 108.800 0.002 0.000 2.699 276 G HA2 0.461 4.421 3.960 -0.000 0.000 0.214 276 G HA3 0.461 4.421 3.960 -0.000 0.000 0.214 276 G C 0.886 175.774 174.900 -0.020 0.000 1.350 276 G CA 1.928 47.024 45.100 -0.007 0.000 0.873 276 G HN 1.823 nan 8.290 nan 0.000 0.570 277 T N -0.572 113.973 114.554 -0.014 0.000 2.886 277 T HA 0.414 4.764 4.350 -0.000 0.000 0.292 277 T C 1.166 175.859 174.700 -0.011 0.000 1.012 277 T CA -0.281 61.801 62.100 -0.030 0.000 0.982 277 T CB 1.467 70.305 68.868 -0.051 0.000 1.018 277 T HN 0.430 nan 8.240 nan 0.000 0.451 278 I N 3.075 123.635 120.570 -0.017 0.000 3.059 278 I HA 0.301 4.471 4.170 -0.000 0.000 0.270 278 I C 1.738 177.896 176.117 0.069 0.000 1.238 278 I CA 0.657 61.970 61.300 0.022 0.000 1.478 278 I CB -0.126 37.883 38.000 0.014 0.000 1.097 278 I HN 0.543 nan 8.210 nan 0.000 0.455 279 I N 1.720 122.274 120.570 -0.028 0.000 2.617 279 I HA 0.154 4.324 4.170 -0.000 0.000 0.256 279 I C 1.248 177.382 176.117 0.029 0.000 1.167 279 I CA 0.991 62.204 61.300 -0.146 0.000 1.469 279 I CB -0.523 37.300 38.000 -0.295 0.000 1.098 279 I HN 0.553 nan 8.210 nan 0.000 0.436 280 G N 0.915 109.728 108.800 0.022 0.000 2.716 280 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 280 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 280 G C -0.276 174.615 174.900 -0.015 0.000 1.337 280 G CA -0.202 44.918 45.100 0.033 0.000 0.829 280 G HN 0.201 nan 8.290 nan 0.000 0.599 281 T N -0.479 114.068 114.554 -0.011 0.000 2.942 281 T HA 1.031 5.381 4.350 -0.000 0.000 0.289 281 T C 0.176 174.868 174.700 -0.013 0.000 1.044 281 T CA 0.799 62.879 62.100 -0.033 0.000 1.023 281 T CB 1.539 70.388 68.868 -0.032 0.000 1.123 281 T HN 2.463 nan 8.240 nan 0.000 0.512 282 A N 0.966 123.773 122.820 -0.021 0.000 2.589 282 A HA 0.816 5.136 4.320 -0.000 0.000 0.296 282 A C -0.131 177.468 177.584 0.024 0.000 1.062 282 A CA -0.509 51.531 52.037 0.006 0.000 0.686 282 A CB 0.863 19.869 19.000 0.011 0.000 1.282 282 A HN 1.314 nan 8.150 nan 0.000 0.404 283 R N -0.091 120.435 120.500 0.044 0.000 2.543 283 R HA 0.458 4.798 4.340 -0.000 0.000 0.277 283 R C 0.180 176.536 176.300 0.092 0.000 1.074 283 R CA 0.316 56.454 56.100 0.063 0.000 1.076 283 R CB -0.980 29.354 30.300 0.055 0.000 0.993 283 R HN 1.380 nan 8.270 nan 0.000 0.459 284 C N 2.253 121.623 119.300 0.117 0.000 2.667 284 C HA 0.541 5.001 4.460 -0.000 0.000 0.392 284 C C 1.726 176.779 174.990 0.106 0.000 1.332 284 C CA 0.251 59.355 59.018 0.144 0.000 1.594 284 C CB -1.197 26.628 27.740 0.141 0.000 2.345 284 C HN 1.052 nan 8.230 nan 0.000 0.594 285 K N 1.903 122.369 120.400 0.109 0.000 2.735 285 K HA 0.161 4.481 4.320 -0.000 0.000 0.197 285 K C 1.415 178.059 176.600 0.074 0.000 1.468 285 K CA 0.143 56.477 56.287 0.078 0.000 1.109 285 K CB -0.350 32.189 32.500 0.064 0.000 1.732 285 K HN 0.600 nan 8.250 nan 0.000 0.541 286 E N -0.442 119.815 120.200 0.095 0.000 2.299 286 E HA 0.209 4.559 4.350 -0.000 0.000 0.193 286 E C 1.231 177.885 176.600 0.090 0.000 0.998 286 E CA 0.449 56.898 56.400 0.081 0.000 0.851 286 E CB 0.007 29.759 29.700 0.087 0.000 0.795 286 E HN 0.468 nan 8.360 nan 0.000 0.492 287 F N 1.194 121.103 119.950 -0.069 0.000 2.811 287 F HA 0.086 4.613 4.527 -0.000 0.000 0.301 287 F C 1.626 177.340 175.800 -0.143 0.000 1.151 287 F CA 0.350 58.250 58.000 -0.167 0.000 1.412 287 F CB 0.251 39.026 39.000 -0.375 0.000 1.113 287 F HN -0.178 nan 8.300 nan 0.000 0.579 288 R N -0.162 120.332 120.500 -0.011 0.000 2.246 288 R HA 0.083 4.423 4.340 -0.000 0.000 0.199 288 R C 0.149 176.407 176.300 -0.071 0.000 0.984 288 R CA 0.358 56.436 56.100 -0.036 0.000 1.015 288 R CB 0.079 30.384 30.300 0.008 0.000 0.930 288 R HN 0.247 nan 8.270 nan 0.000 0.475 289 E N 0.045 120.198 120.200 -0.078 0.000 2.191 289 E HA 0.205 4.554 4.350 -0.000 0.000 0.278 289 E C 0.872 177.404 176.600 -0.113 0.000 0.972 289 E CA -0.141 56.216 56.400 -0.072 0.000 0.804 289 E CB 1.547 31.225 29.700 -0.036 0.000 1.110 289 E HN 0.134 nan 8.360 nan 0.000 0.394 290 R N 1.758 122.202 120.500 -0.092 0.000 2.105 290 R HA -0.213 4.127 4.340 -0.000 0.000 0.239 290 R C 2.191 178.449 176.300 -0.070 0.000 1.135 290 R CA 2.505 58.551 56.100 -0.091 0.000 0.967 290 R CB -1.987 28.275 30.300 -0.063 0.000 0.861 290 R HN 0.797 nan 8.270 nan 0.000 0.442 291 W N 0.459 121.730 121.300 -0.048 0.000 2.465 291 W HA 0.273 4.933 4.660 -0.000 0.000 0.268 291 W C 2.549 179.060 176.519 -0.014 0.000 1.242 291 W CA 0.822 58.149 57.345 -0.029 0.000 1.248 291 W CB -0.918 28.528 29.460 -0.024 0.000 1.118 291 W HN 0.616 nan 8.180 nan 0.000 0.587 292 G N -0.295 108.488 108.800 -0.028 0.000 2.396 292 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.214 292 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.214 292 G C 1.748 176.646 174.900 -0.003 0.000 1.166 292 G CA 0.968 46.070 45.100 0.003 0.000 0.793 292 G HN 0.468 nan 8.290 nan 0.000 0.533 293 R N -0.369 120.040 120.500 -0.152 0.000 2.115 293 R HA 0.188 4.528 4.340 -0.000 0.000 0.226 293 R C 2.478 178.880 176.300 0.170 0.000 1.100 293 R CA 0.430 56.428 56.100 -0.171 0.000 0.980 293 R CB -0.407 29.695 30.300 -0.330 0.000 0.875 293 R HN 0.304 nan 8.270 nan 0.000 0.445 294 L N 1.060 122.326 121.223 0.072 0.000 2.017 294 L HA -0.274 4.066 4.340 -0.000 0.000 0.208 294 L C 3.019 179.965 176.870 0.127 0.000 1.073 294 L CA 2.053 56.932 54.840 0.066 0.000 0.745 294 L CB -0.530 41.531 42.059 0.003 0.000 0.894 294 L HN 0.286 nan 8.230 nan 0.000 0.432 295 Q N -0.663 119.210 119.800 0.121 0.000 2.079 295 Q HA -0.167 4.173 4.340 -0.000 0.000 0.200 295 Q C 2.208 178.354 176.000 0.244 0.000 0.974 295 Q CA 1.776 57.675 55.803 0.159 0.000 0.840 295 Q CB -1.152 27.650 28.738 0.106 0.000 0.898 295 Q HN 0.720 nan 8.270 nan 0.000 0.430 296 A N -0.097 122.883 122.820 0.267 0.000 1.933 296 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 296 A C 2.630 180.494 177.584 0.466 0.000 1.175 296 A CA 1.640 53.868 52.037 0.318 0.000 0.628 296 A CB -1.281 17.908 19.000 0.315 0.000 0.814 296 A HN 0.959 nan 8.150 nan 0.000 0.444 297 C N -1.898 117.729 119.300 0.545 0.000 2.462 297 C HA -0.111 4.349 4.460 -0.000 0.000 0.278 297 C C 2.422 177.528 174.990 0.194 0.000 1.253 297 C CA 1.285 60.548 59.018 0.409 0.000 1.713 297 C CB -1.399 26.320 27.740 -0.035 0.000 2.049 297 C HN 0.699 nan 8.230 nan 0.000 0.477 298 Y N 2.970 123.301 120.300 0.051 0.000 2.069 298 Y HA -0.224 4.326 4.550 -0.000 0.000 0.278 298 Y C 2.275 178.198 175.900 0.039 0.000 1.175 298 Y CA 2.609 60.719 58.100 0.016 0.000 1.134 298 Y CB -0.814 37.654 38.460 0.014 0.000 0.965 298 Y HN 0.409 nan 8.280 nan 0.000 0.498 299 N N 0.008 118.748 118.700 0.067 0.000 2.137 299 N HA -0.238 4.502 4.740 -0.000 0.000 0.190 299 N C 1.911 177.377 175.510 -0.073 0.000 1.017 299 N CA 2.110 55.149 53.050 -0.018 0.000 0.859 299 N CB -0.532 38.019 38.487 0.106 0.000 1.002 299 N HN 0.501 nan 8.380 nan 0.000 0.428 300 M N 0.064 119.691 119.600 0.046 0.000 2.077 300 M HA -0.104 4.376 4.480 -0.000 0.000 0.261 300 M C 2.079 178.284 176.300 -0.158 0.000 1.070 300 M CA 1.142 56.467 55.300 0.041 0.000 1.125 300 M CB -0.251 32.531 32.600 0.302 0.000 1.339 300 M HN -0.083 nan 8.290 nan 0.000 0.409 301 V N -0.209 119.594 119.914 -0.186 0.000 2.255 301 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 301 V C 2.316 178.146 176.094 -0.440 0.000 1.051 301 V CA 2.229 64.280 62.300 -0.415 0.000 1.018 301 V CB -1.188 30.519 31.823 -0.194 0.000 0.641 301 V HN 0.435 nan 8.190 nan 0.000 0.445 302 S N 1.003 116.425 115.700 -0.462 0.000 2.359 302 S HA -0.210 4.260 4.470 -0.000 0.000 0.224 302 S C 1.613 176.054 174.600 -0.266 0.000 1.035 302 S CA 1.964 59.908 58.200 -0.428 0.000 1.018 302 S CB -0.559 62.250 63.200 -0.652 0.000 0.876 302 S HN 0.683 nan 8.310 nan 0.000 0.448 303 N N 0.696 119.241 118.700 -0.258 0.000 2.449 303 N HA 0.263 5.003 4.740 -0.000 0.000 0.191 303 N C 0.965 176.320 175.510 -0.258 0.000 1.161 303 N CA 0.565 53.476 53.050 -0.231 0.000 0.863 303 N CB 0.018 38.369 38.487 -0.226 0.000 0.980 303 N HN 0.463 nan 8.380 nan 0.000 0.458 304 G N 0.434 109.075 108.800 -0.265 0.000 2.225 304 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.267 304 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.267 304 G C -0.195 174.621 174.900 -0.139 0.000 1.024 304 G CA -0.243 44.745 45.100 -0.187 0.000 0.784 304 G HN 0.210 nan 8.290 nan 0.000 0.507 305 I N 1.388 121.826 120.570 -0.219 0.000 2.436 305 I HA 0.217 4.387 4.170 -0.000 0.000 0.289 305 I C 0.901 177.014 176.117 -0.007 0.000 1.083 305 I CA -0.002 61.236 61.300 -0.103 0.000 1.372 305 I CB 0.834 38.781 38.000 -0.089 0.000 1.408 305 I HN 0.292 nan 8.210 nan 0.000 0.516 306 D N 3.632 124.078 120.400 0.077 0.000 2.389 306 D HA 0.355 4.995 4.640 -0.000 0.000 0.206 306 D C 0.426 176.724 176.300 -0.004 0.000 1.055 306 D CA -0.026 54.052 54.000 0.130 0.000 0.856 306 D CB 0.564 41.449 40.800 0.140 0.000 0.957 306 D HN 0.484 nan 8.370 nan 0.000 0.509 307 A N 0.184 122.994 122.820 -0.018 0.000 2.486 307 A HA 0.674 4.994 4.320 -0.000 0.000 0.300 307 A C -1.957 175.607 177.584 -0.034 0.000 1.048 307 A CA -0.791 51.216 52.037 -0.049 0.000 0.696 307 A CB 1.642 20.625 19.000 -0.028 0.000 1.278 307 A HN 0.121 nan 8.150 nan 0.000 0.405 308 L N 2.069 123.264 121.223 -0.047 0.000 2.385 308 L HA 0.764 5.104 4.340 -0.000 0.000 0.273 308 L C -1.350 175.500 176.870 -0.033 0.000 0.990 308 L CA -0.399 54.429 54.840 -0.021 0.000 0.821 308 L CB 2.187 44.265 42.059 0.032 0.000 1.279 308 L HN 0.461 nan 8.230 nan 0.000 0.412 309 V N 5.704 125.588 119.914 -0.050 0.000 2.376 309 V HA 0.461 4.581 4.120 -0.000 0.000 0.287 309 V C -0.531 175.505 176.094 -0.098 0.000 1.015 309 V CA -0.691 61.571 62.300 -0.065 0.000 0.834 309 V CB 1.720 33.504 31.823 -0.065 0.000 1.001 309 V HN 0.486 nan 8.190 nan 0.000 0.428 310 V N 4.419 124.280 119.914 -0.089 0.000 2.333 310 V HA 0.257 4.377 4.120 -0.000 0.000 0.274 310 V C 0.150 176.175 176.094 -0.115 0.000 1.028 310 V CA -0.384 61.837 62.300 -0.131 0.000 0.851 310 V CB 1.357 33.137 31.823 -0.071 0.000 1.000 310 V HN 0.997 nan 8.190 nan 0.000 0.456 311 C N 5.836 125.049 119.300 -0.144 0.000 2.225 311 C HA 0.900 5.360 4.460 -0.000 0.000 0.323 311 C C 0.667 175.588 174.990 -0.116 0.000 1.164 311 C CA 0.344 59.292 59.018 -0.117 0.000 1.565 311 C CB -1.194 26.475 27.740 -0.118 0.000 2.124 311 C HN 1.083 nan 8.230 nan 0.000 0.461 312 G N 3.564 112.314 108.800 -0.084 0.000 2.619 312 G HA2 0.671 4.631 3.960 -0.000 0.000 0.305 312 G HA3 0.671 4.631 3.960 -0.000 0.000 0.305 312 G C -0.227 174.652 174.900 -0.035 0.000 1.330 312 G CA 0.085 45.146 45.100 -0.064 0.000 0.789 312 G HN 1.014 nan 8.290 nan 0.000 0.487 313 G N -1.040 107.749 108.800 -0.017 0.000 2.510 313 G HA2 0.409 4.369 3.960 -0.000 0.000 0.280 313 G HA3 0.409 4.369 3.960 -0.000 0.000 0.280 313 G C 0.484 175.380 174.900 -0.006 0.000 1.386 313 G CA 0.642 45.736 45.100 -0.009 0.000 1.047 313 G HN 0.501 nan 8.290 nan 0.000 0.527 314 D N -0.380 120.007 120.400 -0.022 0.000 2.126 314 D HA -0.113 4.527 4.640 -0.000 0.000 0.190 314 D C 2.467 178.753 176.300 -0.023 0.000 1.001 314 D CA 1.910 55.882 54.000 -0.046 0.000 0.841 314 D CB -0.315 40.414 40.800 -0.117 0.000 0.949 314 D HN 0.423 nan 8.370 nan 0.000 0.446 315 G N -0.107 108.686 108.800 -0.011 0.000 2.418 315 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 315 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 315 G C 1.746 176.694 174.900 0.080 0.000 1.158 315 G CA 0.970 46.085 45.100 0.025 0.000 0.771 315 G HN 0.234 nan 8.290 nan 0.000 0.545 316 S N 0.396 116.154 115.700 0.097 0.000 2.383 316 S HA 0.031 4.501 4.470 -0.000 0.000 0.227 316 S C 2.244 176.953 174.600 0.181 0.000 1.026 316 S CA 0.713 59.023 58.200 0.184 0.000 0.981 316 S CB -0.162 63.083 63.200 0.076 0.000 0.818 316 S HN 0.310 nan 8.310 nan 0.000 0.472 317 L N 0.814 122.092 121.223 0.092 0.000 2.240 317 L HA -0.018 4.322 4.340 -0.000 0.000 0.211 317 L C 2.488 179.408 176.870 0.084 0.000 1.106 317 L CA 0.893 55.781 54.840 0.079 0.000 0.793 317 L CB -0.956 41.122 42.059 0.032 0.000 0.927 317 L HN 0.255 nan 8.230 nan 0.000 0.446 318 T N -0.131 114.462 114.554 0.066 0.000 2.821 318 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 318 T C 1.881 176.635 174.700 0.089 0.000 1.046 318 T CA 1.350 63.483 62.100 0.055 0.000 1.139 318 T CB -0.365 68.517 68.868 0.024 0.000 0.871 318 T HN 0.546 nan 8.240 nan 0.000 0.454 319 G N 1.048 109.920 108.800 0.121 0.000 2.402 319 G HA2 0.013 3.973 3.960 -0.000 0.000 0.216 319 G HA3 0.013 3.973 3.960 -0.000 0.000 0.216 319 G C 1.841 176.911 174.900 0.284 0.000 1.162 319 G CA 0.784 45.983 45.100 0.165 0.000 0.777 319 G HN 0.555 nan 8.290 nan 0.000 0.539 320 A N 1.086 124.070 122.820 0.273 0.000 1.902 320 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 320 A C 2.021 179.764 177.584 0.264 0.000 1.181 320 A CA 2.245 54.472 52.037 0.317 0.000 0.623 320 A CB -0.628 18.509 19.000 0.229 0.000 0.818 320 A HN 0.445 nan 8.150 nan 0.000 0.443 321 D N -0.790 119.710 120.400 0.168 0.000 2.117 321 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 321 D C 1.750 178.122 176.300 0.120 0.000 0.987 321 D CA 1.291 55.359 54.000 0.113 0.000 0.829 321 D CB -0.159 40.683 40.800 0.070 0.000 0.961 321 D HN 0.293 nan 8.370 nan 0.000 0.460 322 L N -0.755 120.547 121.223 0.132 0.000 2.156 322 L HA 0.060 4.400 4.340 -0.000 0.000 0.208 322 L C 1.987 178.948 176.870 0.152 0.000 1.095 322 L CA 0.993 55.892 54.840 0.098 0.000 0.770 322 L CB -0.402 41.684 42.059 0.045 0.000 0.914 322 L HN 0.162 nan 8.230 nan 0.000 0.439 323 F N 0.422 120.413 119.950 0.068 0.000 2.186 323 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 323 F C 2.520 178.432 175.800 0.187 0.000 1.090 323 F CA 1.343 59.421 58.000 0.131 0.000 1.307 323 F CB 0.024 39.221 39.000 0.329 0.000 1.019 323 F HN 0.106 nan 8.300 nan 0.000 0.489 324 R N 1.168 121.762 120.500 0.157 0.000 2.090 324 R HA -0.000 4.340 4.340 -0.000 0.000 0.228 324 R C 2.126 178.452 176.300 0.043 0.000 1.110 324 R CA 1.619 57.734 56.100 0.025 0.000 0.973 324 R CB -1.325 28.976 30.300 0.001 0.000 0.869 324 R HN 0.159 nan 8.270 nan 0.000 0.440 325 K N 1.733 122.167 120.400 0.056 0.000 2.057 325 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 325 K C 1.894 178.517 176.600 0.038 0.000 1.050 325 K CA 1.804 58.115 56.287 0.041 0.000 0.935 325 K CB -0.774 31.747 32.500 0.035 0.000 0.715 325 K HN 0.668 nan 8.250 nan 0.000 0.439 326 E N -1.280 118.940 120.200 0.034 0.000 2.478 326 E HA -0.021 4.328 4.350 -0.000 0.000 0.194 326 E C 1.677 178.265 176.600 -0.020 0.000 1.045 326 E CA -0.273 56.129 56.400 0.004 0.000 0.868 326 E CB 0.012 29.708 29.700 -0.006 0.000 0.885 326 E HN 0.690 nan 8.360 nan 0.000 0.505 327 W N 2.215 123.380 121.300 -0.224 0.000 2.355 327 W HA -0.056 4.604 4.660 -0.000 0.000 0.309 327 W C -1.235 175.199 176.519 -0.143 0.000 1.206 327 W CA 0.891 58.070 57.345 -0.277 0.000 1.284 327 W CB -1.031 28.206 29.460 -0.371 0.000 1.145 327 W HN 0.029 nan 8.180 nan 0.000 0.502 328 P HA -0.142 nan 4.420 nan 0.000 0.227 328 P C -0.663 176.622 177.300 -0.025 0.000 1.145 328 P CA 1.485 64.609 63.100 0.041 0.000 0.769 328 P CB -0.331 31.408 31.700 0.065 0.000 0.769 329 E N 0.133 120.285 120.200 -0.079 0.000 1.993 329 E HA 0.280 4.630 4.350 -0.000 0.000 0.271 329 E C -0.460 176.050 176.600 -0.149 0.000 1.008 329 E CA -0.012 56.341 56.400 -0.079 0.000 0.814 329 E CB 0.007 29.671 29.700 -0.060 0.000 1.098 329 E HN 0.173 nan 8.360 nan 0.000 0.407 330 L N 4.667 125.839 121.223 -0.086 0.000 2.345 330 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 330 L C -0.265 176.592 176.870 -0.022 0.000 0.999 330 L CA -0.689 54.106 54.840 -0.074 0.000 0.849 330 L CB 0.821 42.888 42.059 0.013 0.000 1.220 330 L HN 0.391 nan 8.230 nan 0.000 0.422 331 I N 3.384 123.926 120.570 -0.047 0.000 2.575 331 I HA 0.173 4.343 4.170 -0.000 0.000 0.285 331 I C 0.198 176.297 176.117 -0.030 0.000 1.085 331 I CA -0.026 61.247 61.300 -0.044 0.000 1.403 331 I CB 0.670 38.641 38.000 -0.048 0.000 1.409 331 I HN 0.534 nan 8.210 nan 0.000 0.557 332 K N 6.159 126.531 120.400 -0.046 0.000 2.397 332 K HA 0.355 4.675 4.320 -0.000 0.000 0.253 332 K C -0.623 175.955 176.600 -0.038 0.000 0.932 332 K CA -0.827 55.435 56.287 -0.041 0.000 0.795 332 K CB 2.271 34.724 32.500 -0.080 0.000 1.159 332 K HN 0.539 nan 8.250 nan 0.000 0.424 343 E N 1.417 121.668 120.200 0.084 0.000 2.219 343 E HA -0.248 4.101 4.350 -0.000 0.000 0.198 343 E C 1.115 177.768 176.600 0.089 0.000 0.998 343 E CA 1.942 58.388 56.400 0.076 0.000 0.818 343 E CB 0.111 29.838 29.700 0.045 0.000 0.741 343 E HN 0.584 nan 8.360 nan 0.000 0.477 344 Q N -0.741 119.135 119.800 0.127 0.000 2.112 344 Q HA -0.250 4.090 4.340 -0.000 0.000 0.206 344 Q C 1.829 177.955 176.000 0.211 0.000 0.987 344 Q CA 2.040 57.965 55.803 0.204 0.000 0.858 344 Q CB -0.373 28.472 28.738 0.178 0.000 0.905 344 Q HN 0.465 nan 8.270 nan 0.000 0.420 345 Y N 1.309 121.653 120.300 0.074 0.000 2.097 345 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 345 Y C 2.092 178.017 175.900 0.041 0.000 1.152 345 Y CA 1.906 60.035 58.100 0.049 0.000 1.136 345 Y CB 0.050 38.520 38.460 0.016 0.000 0.975 345 Y HN 0.007 nan 8.280 nan 0.000 0.498 346 E N -0.557 119.694 120.200 0.085 0.000 2.106 346 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 346 E C 2.171 178.704 176.600 -0.112 0.000 0.984 346 E CA 1.796 58.188 56.400 -0.013 0.000 0.806 346 E CB -0.368 29.377 29.700 0.074 0.000 0.750 346 E HN 0.517 nan 8.360 nan 0.000 0.458 347 T N -0.509 113.961 114.554 -0.140 0.000 2.612 347 T HA -0.123 4.227 4.350 -0.000 0.000 0.259 347 T C 0.560 175.030 174.700 -0.384 0.000 1.065 347 T CA 1.608 63.519 62.100 -0.316 0.000 1.167 347 T CB -0.429 68.178 68.868 -0.434 0.000 0.863 347 T HN 0.311 nan 8.240 nan 0.000 0.407 348 H N 0.578 119.647 119.070 -0.002 0.000 2.713 348 H HA 0.382 4.938 4.556 -0.000 0.000 0.294 348 H C 1.585 176.973 175.328 0.101 0.000 1.366 348 H CA -0.236 55.861 56.048 0.082 0.000 1.139 348 H CB 0.068 29.926 29.762 0.159 0.000 1.487 348 H HN 0.081 nan 8.280 nan 0.000 0.504 349 R N 0.745 121.229 120.500 -0.025 0.000 2.127 349 R HA 0.055 4.395 4.340 -0.000 0.000 0.217 349 R C -0.368 176.007 176.300 0.125 0.000 1.074 349 R CA 0.489 56.494 56.100 -0.160 0.000 0.991 349 R CB 0.425 30.513 30.300 -0.354 0.000 0.895 349 R HN 0.368 nan 8.270 nan 0.000 0.450 350 N N 1.729 120.475 118.700 0.076 0.000 2.511 350 N HA 0.083 4.823 4.740 -0.000 0.000 0.249 350 N C -1.122 174.290 175.510 -0.164 0.000 0.971 350 N CA -0.398 52.649 53.050 -0.004 0.000 0.938 350 N CB 2.062 40.524 38.487 -0.042 0.000 1.131 350 N HN -0.013 nan 8.380 nan 0.000 0.505 351 L N 2.331 123.257 121.223 -0.495 0.000 2.455 351 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 351 L C 0.051 176.659 176.870 -0.437 0.000 1.174 351 L CA 0.660 54.966 54.840 -0.890 0.000 0.869 351 L CB 0.374 41.483 42.059 -1.583 0.000 1.130 351 L HN 0.391 nan 8.230 nan 0.000 0.474 352 T N 7.434 121.787 114.554 -0.334 0.000 2.801 352 T HA 0.471 4.821 4.350 -0.000 0.000 0.306 352 T C -0.320 174.277 174.700 -0.172 0.000 1.020 352 T CA -0.023 61.961 62.100 -0.192 0.000 0.948 352 T CB 0.041 68.833 68.868 -0.126 0.000 0.962 352 T HN 0.537 nan 8.240 nan 0.000 0.465 353 I N 4.050 124.539 120.570 -0.136 0.000 2.466 353 I HA 0.639 4.809 4.170 -0.000 0.000 0.289 353 I C -1.211 174.878 176.117 -0.047 0.000 1.026 353 I CA -0.801 60.454 61.300 -0.076 0.000 1.078 353 I CB 1.145 39.121 38.000 -0.039 0.000 1.249 353 I HN 0.281 nan 8.210 nan 0.000 0.429 354 V N 6.153 126.044 119.914 -0.038 0.000 2.680 354 V HA 0.750 4.870 4.120 -0.000 0.000 0.309 354 V C 0.307 176.383 176.094 -0.030 0.000 1.052 354 V CA -0.512 61.765 62.300 -0.037 0.000 0.908 354 V CB 1.814 33.608 31.823 -0.047 0.000 1.001 354 V HN 0.842 nan 8.190 nan 0.000 0.431 355 G N 3.632 112.415 108.800 -0.028 0.000 2.470 355 G HA2 0.720 4.680 3.960 -0.000 0.000 0.320 355 G HA3 0.720 4.680 3.960 -0.000 0.000 0.320 355 G C -1.306 173.568 174.900 -0.044 0.000 1.245 355 G CA -0.527 44.556 45.100 -0.028 0.000 0.935 355 G HN 0.559 nan 8.290 nan 0.000 0.476 356 L N 1.680 122.868 121.223 -0.057 0.000 2.329 356 L HA 0.430 4.770 4.340 -0.000 0.000 0.279 356 L C -0.190 176.642 176.870 -0.063 0.000 1.014 356 L CA -1.184 53.615 54.840 -0.069 0.000 0.814 356 L CB 2.467 44.474 42.059 -0.086 0.000 1.257 356 L HN 0.230 nan 8.230 nan 0.000 0.424 357 V N 1.781 121.658 119.914 -0.061 0.000 2.322 357 V HA 0.308 4.428 4.120 -0.000 0.000 0.258 357 V C 0.806 176.864 176.094 -0.060 0.000 1.074 357 V CA -0.481 61.786 62.300 -0.055 0.000 0.909 357 V CB 0.567 32.360 31.823 -0.050 0.000 1.090 357 V HN 0.884 nan 8.190 nan 0.000 0.486 358 G N 3.231 111.996 108.800 -0.058 0.000 2.696 358 G HA2 0.494 4.454 3.960 -0.000 0.000 0.329 358 G HA3 0.494 4.454 3.960 -0.000 0.000 0.329 358 G C -0.008 174.868 174.900 -0.040 0.000 0.973 358 G CA -0.050 45.017 45.100 -0.055 0.000 1.257 358 G HN 0.825 nan 8.290 nan 0.000 0.456 359 S N 2.330 118.008 115.700 -0.037 0.000 2.603 359 S HA 0.253 4.723 4.470 -0.000 0.000 0.274 359 S C 0.975 175.559 174.600 -0.026 0.000 1.168 359 S CA -0.684 57.501 58.200 -0.025 0.000 0.963 359 S CB 1.015 64.199 63.200 -0.027 0.000 1.078 359 S HN 0.821 nan 8.310 nan 0.000 0.477 360 I N 0.596 121.165 120.570 -0.001 0.000 2.546 360 I HA 0.101 4.271 4.170 -0.000 0.000 0.255 360 I C 1.804 177.942 176.117 0.035 0.000 1.163 360 I CA 1.021 62.332 61.300 0.019 0.000 1.457 360 I CB -0.278 37.737 38.000 0.025 0.000 1.092 360 I HN 0.608 nan 8.210 nan 0.000 0.434 361 D N 2.182 122.602 120.400 0.034 0.000 2.106 361 D HA -0.322 4.318 4.640 -0.000 0.000 0.191 361 D C 1.181 177.502 176.300 0.035 0.000 0.997 361 D CA 1.952 55.991 54.000 0.064 0.000 0.834 361 D CB -0.251 40.591 40.800 0.069 0.000 0.956 361 D HN 0.550 nan 8.370 nan 0.000 0.448 362 N N -0.124 118.509 118.700 -0.111 0.000 2.776 362 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 362 N C 0.103 175.524 175.510 -0.149 0.000 1.111 362 N CA 1.050 53.921 53.050 -0.298 0.000 0.711 362 N CB -1.404 36.549 38.487 -0.891 0.000 1.065 362 N HN 0.265 nan 8.380 nan 0.000 0.556 363 D N -0.396 119.974 120.400 -0.049 0.000 2.137 363 D HA 0.010 4.650 4.640 -0.000 0.000 0.202 363 D C 0.926 177.196 176.300 -0.050 0.000 0.970 363 D CA 0.556 54.546 54.000 -0.017 0.000 0.837 363 D CB 0.027 40.848 40.800 0.035 0.000 0.981 363 D HN 0.448 nan 8.370 nan 0.000 0.475 364 M N 1.093 120.658 119.600 -0.058 0.000 2.286 364 M HA -0.021 4.459 4.480 -0.000 0.000 0.365 364 M C -0.573 175.696 176.300 -0.053 0.000 1.443 364 M CA 0.004 55.272 55.300 -0.054 0.000 0.951 364 M CB 0.006 32.575 32.600 -0.050 0.000 1.961 364 M HN 0.096 nan 8.290 nan 0.000 0.468 365 C N 4.079 123.354 119.300 -0.042 0.000 2.604 365 C HA 0.609 5.069 4.460 -0.000 0.000 0.396 365 C C 1.640 176.617 174.990 -0.021 0.000 1.282 365 C CA 0.491 59.489 59.018 -0.032 0.000 2.292 365 C CB 0.034 27.756 27.740 -0.030 0.000 2.633 365 C HN 1.107 nan 8.230 nan 0.000 0.620 366 G N 1.718 110.512 108.800 -0.009 0.000 2.253 366 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.251 366 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.251 366 G C 0.224 175.128 174.900 0.007 0.000 0.998 366 G CA 0.578 45.678 45.100 0.001 0.000 0.621 366 G HN 0.914 nan 8.290 nan 0.000 0.524 367 T N -0.097 114.456 114.554 -0.002 0.000 2.829 367 T HA 0.549 4.899 4.350 -0.000 0.000 0.280 367 T C 0.762 175.466 174.700 0.008 0.000 0.999 367 T CA 0.199 62.303 62.100 0.007 0.000 0.983 367 T CB 1.334 70.198 68.868 -0.007 0.000 0.968 367 T HN -0.018 nan 8.240 nan 0.000 0.446 368 D N 1.980 122.408 120.400 0.046 0.000 2.224 368 D HA 0.076 4.716 4.640 -0.000 0.000 0.205 368 D C 0.520 176.831 176.300 0.017 0.000 0.965 368 D CA 0.951 54.988 54.000 0.062 0.000 0.852 368 D CB 0.248 41.114 40.800 0.109 0.000 0.947 368 D HN 0.617 nan 8.370 nan 0.000 0.494 369 S N -1.576 114.146 115.700 0.037 0.000 2.533 369 S HA 0.528 4.998 4.470 -0.000 0.000 0.271 369 S C -0.381 174.220 174.600 0.003 0.000 1.143 369 S CA -1.033 57.158 58.200 -0.015 0.000 0.891 369 S CB 1.922 65.302 63.200 0.299 0.000 1.105 369 S HN 0.035 nan 8.310 nan 0.000 0.468 370 T N -0.505 113.988 114.554 -0.103 0.000 2.943 370 T HA 0.680 5.030 4.350 -0.000 0.000 0.284 370 T C 0.191 174.878 174.700 -0.022 0.000 1.015 370 T CA -1.020 61.038 62.100 -0.069 0.000 1.042 370 T CB 0.262 69.065 68.868 -0.109 0.000 1.055 370 T HN 0.661 nan 8.240 nan 0.000 0.500 371 I N 2.365 122.913 120.570 -0.037 0.000 2.581 371 I HA 0.380 4.550 4.170 -0.000 0.000 0.285 371 I C 1.591 177.701 176.117 -0.011 0.000 1.129 371 I CA 0.895 62.174 61.300 -0.035 0.000 1.397 371 I CB -0.256 37.698 38.000 -0.076 0.000 1.399 371 I HN 1.149 nan 8.210 nan 0.000 0.537 372 G N 4.160 112.981 108.800 0.035 0.000 2.307 372 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.210 372 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.210 372 G C 1.068 176.016 174.900 0.079 0.000 1.005 372 G CA 0.343 45.470 45.100 0.045 0.000 0.634 372 G HN 0.741 nan 8.290 nan 0.000 0.496 373 A N 0.157 123.006 122.820 0.048 0.000 1.873 373 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 373 A C 1.990 179.677 177.584 0.171 0.000 1.193 373 A CA 2.393 54.432 52.037 0.003 0.000 0.629 373 A CB -0.716 18.050 19.000 -0.389 0.000 0.826 373 A HN 0.800 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 -0.140 4.410 4.550 -0.000 0.000 0.291 374 Y C 3.071 179.104 175.900 0.222 0.000 1.137 374 Y CA 1.515 59.824 58.100 0.347 0.000 1.181 374 Y CB -0.297 38.386 38.460 0.372 0.000 0.989 374 Y HN 0.284 nan 8.280 nan 0.000 0.527 375 S N -1.038 114.838 115.700 0.294 0.000 2.368 375 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 375 S C 2.288 176.964 174.600 0.126 0.000 1.030 375 S CA 1.355 59.662 58.200 0.179 0.000 0.999 375 S CB -0.581 62.694 63.200 0.124 0.000 0.844 375 S HN 0.434 nan 8.310 nan 0.000 0.459 376 S N 1.170 116.939 115.700 0.114 0.000 2.368 376 S HA -0.079 4.391 4.470 -0.000 0.000 0.225 376 S C 1.853 176.501 174.600 0.079 0.000 1.030 376 S CA 1.032 59.278 58.200 0.077 0.000 0.999 376 S CB -0.465 62.780 63.200 0.075 0.000 0.844 376 S HN 0.360 nan 8.310 nan 0.000 0.459 377 L N 2.147 123.435 121.223 0.108 0.000 2.079 377 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 377 L C 2.290 179.190 176.870 0.049 0.000 1.081 377 L CA 1.960 56.828 54.840 0.047 0.000 0.752 377 L CB -0.846 41.216 42.059 0.005 0.000 0.896 377 L HN 0.208 nan 8.230 nan 0.000 0.433 378 E N -0.207 120.050 120.200 0.094 0.000 2.077 378 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 378 E C 2.277 178.905 176.600 0.046 0.000 0.989 378 E CA 0.862 57.307 56.400 0.075 0.000 0.800 378 E CB -0.212 29.548 29.700 0.099 0.000 0.746 378 E HN 0.496 nan 8.360 nan 0.000 0.452 379 R N 0.408 120.937 120.500 0.049 0.000 2.081 379 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 379 R C 2.558 178.880 176.300 0.036 0.000 1.131 379 R CA 0.712 56.836 56.100 0.041 0.000 0.960 379 R CB -0.901 29.419 30.300 0.033 0.000 0.856 379 R HN 0.275 nan 8.270 nan 0.000 0.436 380 I N 0.630 121.216 120.570 0.027 0.000 2.099 380 I HA -0.292 3.878 4.170 -0.000 0.000 0.239 380 I C 2.203 178.330 176.117 0.016 0.000 1.066 380 I CA 1.226 62.538 61.300 0.020 0.000 1.324 380 I CB -0.404 37.596 38.000 0.001 0.000 1.037 380 I HN -0.039 nan 8.210 nan 0.000 0.401 381 I N 0.577 121.150 120.570 0.005 0.000 2.194 381 I HA -0.308 3.862 4.170 -0.000 0.000 0.246 381 I C 2.560 178.657 176.117 -0.033 0.000 1.093 381 I CA 1.562 62.858 61.300 -0.006 0.000 1.355 381 I CB -0.660 37.339 38.000 -0.002 0.000 1.046 381 I HN 0.240 nan 8.210 nan 0.000 0.413 382 E N 0.207 120.391 120.200 -0.028 0.000 2.086 382 E HA -0.240 4.110 4.350 -0.000 0.000 0.200 382 E C 2.293 178.861 176.600 -0.054 0.000 1.012 382 E CA 1.453 57.815 56.400 -0.063 0.000 0.812 382 E CB -0.206 29.505 29.700 0.018 0.000 0.743 382 E HN 0.417 nan 8.360 nan 0.000 0.453 383 L N 0.163 121.423 121.223 0.062 0.000 2.044 383 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 383 L C 2.597 179.520 176.870 0.089 0.000 1.075 383 L CA 0.796 55.726 54.840 0.150 0.000 0.747 383 L CB -0.569 41.557 42.059 0.111 0.000 0.903 383 L HN 0.053 nan 8.230 nan 0.000 0.435 384 V N -0.218 119.716 119.914 0.032 0.000 2.594 384 V HA -0.250 3.870 4.120 -0.000 0.000 0.253 384 V C 1.970 178.057 176.094 -0.011 0.000 1.069 384 V CA 1.506 63.817 62.300 0.019 0.000 1.082 384 V CB -0.634 31.212 31.823 0.039 0.000 0.680 384 V HN 0.381 nan 8.190 nan 0.000 0.469 385 D N -0.760 119.594 120.400 -0.075 0.000 2.144 385 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 385 D C 2.018 178.210 176.300 -0.180 0.000 0.984 385 D CA 1.292 55.196 54.000 -0.161 0.000 0.834 385 D CB -0.230 40.414 40.800 -0.259 0.000 0.955 385 D HN 0.509 nan 8.370 nan 0.000 0.465 386 Y N 0.764 121.035 120.300 -0.048 0.000 2.163 386 Y HA -0.031 4.518 4.550 -0.000 0.000 0.288 386 Y C 2.402 178.237 175.900 -0.109 0.000 1.136 386 Y CA 0.400 58.462 58.100 -0.063 0.000 1.147 386 Y CB -0.565 37.864 38.460 -0.051 0.000 0.987 386 Y HN -0.038 nan 8.280 nan 0.000 0.509 387 I N 0.058 120.626 120.570 -0.003 0.000 2.151 387 I HA -0.372 3.798 4.170 -0.000 0.000 0.243 387 I C 1.777 177.754 176.117 -0.233 0.000 1.080 387 I CA 1.815 62.969 61.300 -0.245 0.000 1.339 387 I CB -0.402 37.406 38.000 -0.321 0.000 1.039 387 I HN 0.238 nan 8.210 nan 0.000 0.409 388 D N 1.140 121.483 120.400 -0.096 0.000 2.178 388 D HA -0.052 4.588 4.640 -0.000 0.000 0.202 388 D C 1.438 177.731 176.300 -0.011 0.000 0.974 388 D CA 1.006 54.996 54.000 -0.017 0.000 0.841 388 D CB -0.129 40.706 40.800 0.057 0.000 0.953 388 D HN 0.292 nan 8.370 nan 0.000 0.478 389 A N 1.089 123.897 122.820 -0.020 0.000 3.029 389 A HA 0.344 4.663 4.320 -0.000 0.000 0.251 389 A C 0.162 177.761 177.584 0.024 0.000 1.749 389 A CA -0.071 51.968 52.037 0.002 0.000 1.386 389 A CB -0.919 18.080 19.000 -0.001 0.000 1.043 389 A HN 0.135 nan 8.150 nan 0.000 0.638 390 T N -2.223 112.344 114.554 0.022 0.000 2.900 390 T HA 0.686 5.036 4.350 -0.000 0.000 0.303 390 T C -0.244 174.488 174.700 0.053 0.000 1.142 390 T CA -0.157 61.964 62.100 0.035 0.000 1.007 390 T CB 1.552 70.437 68.868 0.028 0.000 1.156 390 T HN 0.878 nan 8.240 nan 0.000 0.490 391 A N 1.654 124.509 122.820 0.059 0.000 2.454 391 A HA 0.686 5.006 4.320 -0.000 0.000 0.260 391 A C 0.953 178.588 177.584 0.084 0.000 1.106 391 A CA -0.292 51.785 52.037 0.067 0.000 0.780 391 A CB -0.702 18.334 19.000 0.061 0.000 1.044 391 A HN 1.531 nan 8.150 nan 0.000 0.498 392 A N 3.302 126.177 122.820 0.091 0.000 2.561 392 A HA 0.455 4.775 4.320 -0.000 0.000 0.234 392 A C 0.777 178.422 177.584 0.101 0.000 1.055 392 A CA 0.552 52.652 52.037 0.105 0.000 0.756 392 A CB -0.227 18.825 19.000 0.086 0.000 0.986 392 A HN 1.065 nan 8.150 nan 0.000 0.505 393 S N 0.523 116.290 115.700 0.112 0.000 2.578 393 S HA 0.371 4.840 4.470 -0.000 0.000 0.301 393 S C 1.023 175.670 174.600 0.078 0.000 1.091 393 S CA -0.563 57.702 58.200 0.109 0.000 1.032 393 S CB 1.166 64.435 63.200 0.116 0.000 1.064 393 S HN 0.778 nan 8.310 nan 0.000 0.508 394 H N 1.674 120.766 119.070 0.036 0.000 2.387 394 H HA -0.003 4.553 4.556 -0.000 0.000 0.299 394 H C -0.054 175.278 175.328 0.007 0.000 1.099 394 H CA 1.304 57.365 56.048 0.022 0.000 1.315 394 H CB 0.284 30.056 29.762 0.016 0.000 1.380 394 H HN 0.471 nan 8.280 nan 0.000 0.513 395 S N 0.955 116.685 115.700 0.050 0.000 2.300 395 S HA 0.319 4.789 4.470 -0.000 0.000 0.172 395 S C -0.308 174.258 174.600 -0.057 0.000 1.484 395 S CA -0.562 57.635 58.200 -0.004 0.000 1.265 395 S CB 1.042 64.269 63.200 0.045 0.000 1.313 395 S HN 0.185 nan 8.310 nan 0.000 0.387 396 R N 1.482 121.920 120.500 -0.104 0.000 2.664 396 R HA 0.868 5.208 4.340 -0.000 0.000 0.286 396 R C -0.608 175.440 176.300 -0.420 0.000 0.967 396 R CA -0.498 55.453 56.100 -0.248 0.000 0.933 396 R CB 1.953 32.156 30.300 -0.163 0.000 1.146 396 R HN 0.439 nan 8.270 nan 0.000 0.468 397 A N 2.320 124.712 122.820 -0.713 0.000 2.515 397 A HA 0.795 5.115 4.320 -0.000 0.000 0.298 397 A C -1.563 175.418 177.584 -1.005 0.000 1.059 397 A CA -0.632 51.020 52.037 -0.642 0.000 0.698 397 A CB 1.234 20.076 19.000 -0.264 0.000 1.289 397 A HN 0.509 nan 8.150 nan 0.000 0.404 398 F N 0.638 120.623 119.950 0.060 0.000 2.547 398 F HA 0.569 5.096 4.527 -0.000 0.000 0.316 398 F C -0.228 175.617 175.800 0.074 0.000 1.121 398 F CA -0.869 57.169 58.000 0.063 0.000 0.911 398 F CB 2.376 41.414 39.000 0.064 0.000 1.179 398 F HN 0.285 nan 8.300 nan 0.000 0.443 399 V N 3.824 123.870 119.914 0.221 0.000 2.384 399 V HA 0.524 4.644 4.120 -0.000 0.000 0.287 399 V C -0.590 175.592 176.094 0.147 0.000 1.020 399 V CA -0.836 61.562 62.300 0.163 0.000 0.850 399 V CB 1.737 33.627 31.823 0.112 0.000 0.987 399 V HN 0.529 nan 8.190 nan 0.000 0.436 400 V N 3.882 123.875 119.914 0.132 0.000 2.313 400 V HA 0.350 4.470 4.120 -0.000 0.000 0.278 400 V C 0.069 176.205 176.094 0.070 0.000 1.017 400 V CA -0.659 61.699 62.300 0.096 0.000 0.823 400 V CB 1.325 33.200 31.823 0.088 0.000 1.010 400 V HN 0.955 nan 8.190 nan 0.000 0.443 401 E N 4.666 124.897 120.200 0.052 0.000 2.070 401 E HA 0.364 4.714 4.350 -0.000 0.000 0.282 401 E C -0.703 175.914 176.600 0.027 0.000 1.104 401 E CA -0.019 56.399 56.400 0.030 0.000 0.876 401 E CB 0.978 30.688 29.700 0.017 0.000 1.055 401 E HN 0.474 nan 8.360 nan 0.000 0.401 402 V N 5.930 125.857 119.914 0.022 0.000 2.539 402 V HA 0.307 4.427 4.120 -0.000 0.000 0.292 402 V C 0.645 176.747 176.094 0.013 0.000 1.045 402 V CA -0.592 61.718 62.300 0.017 0.000 0.945 402 V CB 1.529 33.356 31.823 0.007 0.000 0.993 402 V HN 0.821 nan 8.190 nan 0.000 0.464 403 M N 2.441 122.052 119.600 0.018 0.000 2.267 403 M HA 0.624 5.104 4.480 -0.000 0.000 0.303 403 M C 0.534 176.850 176.300 0.027 0.000 1.164 403 M CA 0.363 55.674 55.300 0.018 0.000 1.060 403 M CB 1.438 34.051 32.600 0.022 0.000 1.455 403 M HN 0.899 nan 8.290 nan 0.000 0.483 404 G N -0.026 108.788 108.800 0.024 0.000 2.673 404 G HA2 0.089 4.049 3.960 -0.000 0.000 0.566 404 G HA3 0.089 4.049 3.960 -0.000 0.000 0.566 404 G C -0.004 174.894 174.900 -0.002 0.000 1.170 404 G CA -0.148 44.976 45.100 0.040 0.000 1.242 404 G HN 0.930 nan 8.290 nan 0.000 0.568 405 R N 0.632 121.102 120.500 -0.050 0.000 2.075 405 R HA 0.002 4.342 4.340 -0.000 0.000 0.232 405 R C 1.777 177.847 176.300 -0.382 0.000 1.126 405 R CA 2.233 58.195 56.100 -0.230 0.000 0.963 405 R CB -0.773 29.342 30.300 -0.308 0.000 0.858 405 R HN 0.797 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 0.294 4.850 4.556 -0.000 0.000 0.269 406 H C -0.199 175.147 175.328 0.030 0.000 0.998 406 H CA 0.101 56.165 56.048 0.026 0.000 1.193 406 H CB 0.243 30.015 29.762 0.016 0.000 1.485 406 H HN 0.468 nan 8.280 nan 0.000 0.521 407 C N 0.347 119.726 119.300 0.132 0.000 2.686 407 C HA 0.536 4.996 4.460 -0.000 0.000 0.318 407 C C 1.662 176.772 174.990 0.201 0.000 1.160 407 C CA -0.400 58.709 59.018 0.151 0.000 1.396 407 C CB 0.825 28.661 27.740 0.160 0.000 1.924 407 C HN 0.521 nan 8.230 nan 0.000 0.471 408 G N 1.918 110.879 108.800 0.268 0.000 3.026 408 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.208 408 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.208 408 G C 0.922 175.949 174.900 0.211 0.000 1.169 408 G CA 0.311 45.547 45.100 0.227 0.000 0.788 408 G HN 0.950 nan 8.290 nan 0.000 0.533 409 W N 0.893 122.309 121.300 0.193 0.000 2.333 409 W HA -0.112 4.548 4.660 -0.000 0.000 0.316 409 W C 2.122 178.556 176.519 -0.140 0.000 1.215 409 W CA 1.346 58.680 57.345 -0.019 0.000 1.278 409 W CB -0.153 29.364 29.460 0.096 0.000 1.154 409 W HN 0.153 nan 8.180 nan 0.000 0.486 410 L N 0.181 121.481 121.223 0.128 0.000 2.017 410 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 410 L C 2.737 179.473 176.870 -0.224 0.000 1.073 410 L CA 1.592 56.380 54.840 -0.087 0.000 0.745 410 L CB -1.575 40.532 42.059 0.080 0.000 0.894 410 L HN 0.233 nan 8.230 nan 0.000 0.432 411 G N -0.164 108.544 108.800 -0.154 0.000 2.446 411 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 411 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 411 G C 1.630 176.318 174.900 -0.353 0.000 1.168 411 G CA 0.694 45.680 45.100 -0.190 0.000 0.771 411 G HN 0.224 nan 8.290 nan 0.000 0.551 412 L N -0.104 120.847 121.223 -0.454 0.000 1.976 412 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 412 L C 3.096 179.610 176.870 -0.592 0.000 1.071 412 L CA 1.394 55.865 54.840 -0.614 0.000 0.746 412 L CB -0.208 41.433 42.059 -0.698 0.000 0.890 412 L HN 0.177 nan 8.230 nan 0.000 0.432 413 M N -0.980 118.207 119.600 -0.688 0.000 2.149 413 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 413 M C 2.404 178.466 176.300 -0.396 0.000 1.064 413 M CA 1.508 56.419 55.300 -0.648 0.000 1.102 413 M CB -1.317 30.618 32.600 -1.107 0.000 1.369 413 M HN 0.220 nan 8.290 nan 0.000 0.408 414 S N 0.691 116.185 115.700 -0.343 0.000 2.368 414 S HA -0.059 4.410 4.470 -0.000 0.000 0.225 414 S C 2.092 176.603 174.600 -0.149 0.000 1.030 414 S CA 1.312 59.396 58.200 -0.194 0.000 0.999 414 S CB -0.801 62.310 63.200 -0.149 0.000 0.844 414 S HN 0.670 nan 8.310 nan 0.000 0.459 415 G N 1.961 110.615 108.800 -0.244 0.000 2.459 415 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 415 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 415 G C 1.324 176.273 174.900 0.081 0.000 1.183 415 G CA 0.957 45.953 45.100 -0.174 0.000 0.776 415 G HN 0.475 nan 8.290 nan 0.000 0.552 416 I N 1.516 122.095 120.570 0.015 0.000 2.072 416 I HA -0.173 3.997 4.170 -0.000 0.000 0.235 416 I C 3.335 179.460 176.117 0.012 0.000 1.058 416 I CA 1.210 62.547 61.300 0.063 0.000 1.320 416 I CB -0.488 37.505 38.000 -0.011 0.000 1.047 416 I HN 0.228 nan 8.210 nan 0.000 0.397 417 A N 0.348 123.152 122.820 -0.027 0.000 1.997 417 A HA -0.282 4.038 4.320 -0.000 0.000 0.221 417 A C 2.276 179.912 177.584 0.088 0.000 1.172 417 A CA 2.776 54.822 52.037 0.015 0.000 0.645 417 A CB -1.175 17.810 19.000 -0.025 0.000 0.813 417 A HN 0.616 nan 8.150 nan 0.000 0.454 418 T N -5.395 109.183 114.554 0.041 0.000 3.023 418 T HA 0.426 4.776 4.350 -0.000 0.000 0.253 418 T C 1.178 175.721 174.700 -0.261 0.000 1.038 418 T CA 1.051 63.176 62.100 0.043 0.000 0.962 418 T CB 0.054 68.956 68.868 0.057 0.000 1.018 418 T HN 1.844 nan 8.240 nan 0.000 0.521 419 G N 1.820 110.497 108.800 -0.206 0.000 2.298 419 G HA2 0.036 3.996 3.960 -0.000 0.000 0.287 419 G HA3 0.036 3.996 3.960 -0.000 0.000 0.287 419 G C 0.261 175.065 174.900 -0.161 0.000 1.075 419 G CA -0.089 44.849 45.100 -0.270 0.000 0.960 419 G HN 1.194 nan 8.290 nan 0.000 0.502 420 A N -0.609 122.227 122.820 0.025 0.000 2.445 420 A HA 0.541 4.861 4.320 -0.000 0.000 0.242 420 A C 1.223 178.864 177.584 0.095 0.000 1.075 420 A CA 0.949 53.050 52.037 0.107 0.000 0.777 420 A CB 0.354 19.463 19.000 0.181 0.000 1.013 420 A HN 0.358 nan 8.150 nan 0.000 0.493 421 D N -0.753 119.712 120.400 0.108 0.000 2.091 421 D HA 0.058 4.698 4.640 -0.000 0.000 0.199 421 D C -0.041 176.426 176.300 0.279 0.000 0.980 421 D CA 2.008 56.096 54.000 0.146 0.000 0.831 421 D CB -0.014 40.932 40.800 0.244 0.000 0.987 421 D HN 0.576 nan 8.370 nan 0.000 0.460 422 Y N -0.742 119.660 120.300 0.169 0.000 2.553 422 Y HA 0.465 5.015 4.550 -0.000 0.000 0.347 422 Y C -1.308 174.635 175.900 0.071 0.000 1.019 422 Y CA -1.363 56.810 58.100 0.120 0.000 1.032 422 Y CB 1.437 39.904 38.460 0.012 0.000 1.284 422 Y HN -0.162 nan 8.280 nan 0.000 0.466 423 I N 0.088 120.561 120.570 -0.161 0.000 2.828 423 I HA 0.626 4.796 4.170 -0.000 0.000 0.302 423 I C -2.068 173.815 176.117 -0.391 0.000 1.101 423 I CA -0.897 60.282 61.300 -0.202 0.000 1.031 423 I CB 2.539 40.289 38.000 -0.417 0.000 1.231 423 I HN 0.400 nan 8.210 nan 0.000 0.427 424 F N 5.713 125.642 119.950 -0.034 0.000 2.403 424 F HA 0.652 5.179 4.527 -0.000 0.000 0.355 424 F C -0.114 175.619 175.800 -0.113 0.000 1.119 424 F CA -0.639 57.324 58.000 -0.062 0.000 1.007 424 F CB 1.792 40.746 39.000 -0.076 0.000 1.194 424 F HN 0.443 nan 8.300 nan 0.000 0.443 425 I N 1.497 122.060 120.570 -0.011 0.000 2.545 425 I HA 0.563 4.733 4.170 -0.000 0.000 0.292 425 I C -2.490 173.592 176.117 -0.057 0.000 1.040 425 I CA -2.625 58.650 61.300 -0.041 0.000 1.068 425 I CB 2.516 40.464 38.000 -0.088 0.000 1.251 425 I HN 0.155 nan 8.210 nan 0.000 0.424 426 P HA -0.134 nan 4.420 nan 0.000 0.220 426 P C 0.968 178.237 177.300 -0.052 0.000 1.148 426 P CA 1.229 64.300 63.100 -0.048 0.000 0.803 426 P CB 0.091 31.794 31.700 0.006 0.000 0.782 427 E N -0.031 120.149 120.200 -0.033 0.000 2.106 427 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 427 E C 1.050 177.621 176.600 -0.049 0.000 0.984 427 E CA 0.990 57.374 56.400 -0.027 0.000 0.806 427 E CB -0.374 29.271 29.700 -0.092 0.000 0.750 427 E HN 0.282 nan 8.360 nan 0.000 0.458 428 R N 1.657 122.072 120.500 -0.142 0.000 2.564 428 R HA 0.248 4.588 4.340 -0.000 0.000 0.282 428 R C -2.477 173.728 176.300 -0.159 0.000 1.573 428 R CA -1.520 54.515 56.100 -0.109 0.000 1.588 428 R CB 1.323 31.620 30.300 -0.004 0.000 1.154 428 R HN 0.083 nan 8.270 nan 0.000 0.606 429 P HA 0.246 nan 4.420 nan 0.000 0.274 429 P C -2.625 174.588 177.300 -0.144 0.000 1.231 429 P CA -1.367 61.554 63.100 -0.299 0.000 0.790 429 P CB 0.748 32.105 31.700 -0.571 0.000 0.951 430 P HA 0.117 nan 4.420 nan 0.000 0.279 430 P C -0.161 177.224 177.300 0.142 0.000 1.276 430 P CA -0.460 62.712 63.100 0.119 0.000 0.801 430 P CB 0.207 32.077 31.700 0.284 0.000 1.127 431 S N -0.837 114.984 115.700 0.202 0.000 2.568 431 S HA 0.007 4.477 4.470 -0.000 0.000 0.282 431 S C 1.221 176.001 174.600 0.299 0.000 1.338 431 S CA 0.062 58.382 58.200 0.199 0.000 1.045 431 S CB 0.081 63.378 63.200 0.163 0.000 0.873 431 S HN 0.589 nan 8.310 nan 0.000 0.516 432 E N 2.391 122.738 120.200 0.246 0.000 2.106 432 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 432 E C 1.877 178.607 176.600 0.217 0.000 0.984 432 E CA 1.272 57.851 56.400 0.299 0.000 0.806 432 E CB -0.545 29.273 29.700 0.197 0.000 0.750 432 E HN 0.804 nan 8.360 nan 0.000 0.458 433 S N 1.290 117.071 115.700 0.136 0.000 2.356 433 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 433 S C 1.378 175.989 174.600 0.019 0.000 1.032 433 S CA 1.171 59.409 58.200 0.063 0.000 1.005 433 S CB -0.298 62.937 63.200 0.059 0.000 0.867 433 S HN 0.283 nan 8.310 nan 0.000 0.449 434 N N 0.279 119.015 118.700 0.060 0.000 2.451 434 N HA 0.165 4.905 4.740 -0.000 0.000 0.271 434 N C 0.694 176.247 175.510 0.072 0.000 1.410 434 N CA 0.067 53.124 53.050 0.012 0.000 0.884 434 N CB 0.370 38.868 38.487 0.020 0.000 1.332 434 N HN 0.753 nan 8.380 nan 0.000 0.498 435 W N 1.487 122.822 121.300 0.059 0.000 2.388 435 W HA 0.038 4.698 4.660 -0.000 0.000 0.294 435 W C 0.904 177.433 176.519 0.016 0.000 1.212 435 W CA 0.425 57.821 57.345 0.086 0.000 1.271 435 W CB -0.422 29.143 29.460 0.174 0.000 1.126 435 W HN -0.069 nan 8.180 nan 0.000 0.535 436 K N 0.805 120.841 120.400 -0.606 0.000 2.057 436 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 436 K C 1.617 178.055 176.600 -0.269 0.000 1.050 436 K CA 1.914 57.811 56.287 -0.650 0.000 0.935 436 K CB -0.383 31.605 32.500 -0.852 0.000 0.715 436 K HN 0.069 nan 8.250 nan 0.000 0.439 437 D N 0.917 121.202 120.400 -0.191 0.000 2.183 437 D HA -0.134 4.506 4.640 -0.000 0.000 0.203 437 D C 1.537 177.807 176.300 -0.051 0.000 0.969 437 D CA 1.121 55.058 54.000 -0.106 0.000 0.842 437 D CB -0.018 40.732 40.800 -0.083 0.000 0.957 437 D HN 0.211 nan 8.370 nan 0.000 0.484 438 D N 0.692 121.092 120.400 -0.000 0.000 2.162 438 D HA -0.054 4.586 4.640 -0.000 0.000 0.203 438 D C 2.242 178.554 176.300 0.019 0.000 0.967 438 D CA 0.211 54.247 54.000 0.060 0.000 0.840 438 D CB -0.059 40.842 40.800 0.168 0.000 0.972 438 D HN 0.071 nan 8.370 nan 0.000 0.482 439 L N 0.271 121.418 121.223 -0.126 0.000 1.989 439 L HA -0.208 4.132 4.340 -0.000 0.000 0.211 439 L C 2.281 179.076 176.870 -0.125 0.000 1.071 439 L CA 1.465 56.111 54.840 -0.324 0.000 0.749 439 L CB -0.217 41.692 42.059 -0.250 0.000 0.890 439 L HN 0.048 nan 8.230 nan 0.000 0.431 440 K N 0.035 120.377 120.400 -0.096 0.000 2.020 440 K HA -0.258 4.062 4.320 -0.000 0.000 0.212 440 K C 2.389 178.950 176.600 -0.066 0.000 1.050 440 K CA 2.253 58.495 56.287 -0.075 0.000 0.929 440 K CB -0.425 32.025 32.500 -0.082 0.000 0.714 440 K HN 0.325 nan 8.250 nan 0.000 0.443 441 K N 1.298 121.662 120.400 -0.059 0.000 1.977 441 K HA -0.173 4.147 4.320 -0.000 0.000 0.218 441 K C 2.235 178.771 176.600 -0.105 0.000 1.051 441 K CA 2.247 58.494 56.287 -0.067 0.000 0.953 441 K CB -1.565 30.910 32.500 -0.042 0.000 0.727 441 K HN 0.048 nan 8.250 nan 0.000 0.445 442 V N 0.915 120.782 119.914 -0.079 0.000 2.250 442 V HA -0.396 3.724 4.120 -0.000 0.000 0.250 442 V C 2.774 178.717 176.094 -0.252 0.000 1.060 442 V CA 2.293 64.504 62.300 -0.149 0.000 1.030 442 V CB -0.999 30.888 31.823 0.105 0.000 0.643 442 V HN 0.763 nan 8.190 nan 0.000 0.445 443 C N -0.523 118.743 119.300 -0.056 0.000 2.436 443 C HA -0.123 4.337 4.460 -0.000 0.000 0.277 443 C C 2.650 177.613 174.990 -0.045 0.000 1.241 443 C CA 1.041 60.065 59.018 0.010 0.000 1.721 443 C CB -1.187 26.567 27.740 0.022 0.000 2.043 443 C HN 0.541 nan 8.230 nan 0.000 0.472 444 L N 0.396 121.572 121.223 -0.079 0.000 2.191 444 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 444 L C 2.818 179.618 176.870 -0.115 0.000 1.103 444 L CA 1.257 56.049 54.840 -0.080 0.000 0.769 444 L CB -0.607 41.409 42.059 -0.071 0.000 0.908 444 L HN 0.365 nan 8.230 nan 0.000 0.438 445 R N -0.889 119.492 120.500 -0.199 0.000 2.073 445 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 445 R C 2.428 178.587 176.300 -0.234 0.000 1.134 445 R CA 1.452 57.398 56.100 -0.257 0.000 0.952 445 R CB -0.165 29.914 30.300 -0.367 0.000 0.850 445 R HN 0.400 nan 8.270 nan 0.000 0.433 446 H N 0.146 119.147 119.070 -0.114 0.000 2.357 446 H HA -0.013 4.543 4.556 -0.000 0.000 0.301 446 H C 2.176 177.437 175.328 -0.111 0.000 1.082 446 H CA 1.218 57.190 56.048 -0.128 0.000 1.342 446 H CB -0.189 29.518 29.762 -0.092 0.000 1.389 446 H HN 0.220 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 -0.155 4.185 4.340 -0.000 0.000 0.239 447 R C 2.279 178.548 176.300 -0.051 0.000 1.135 447 R CA 1.374 57.459 56.100 -0.026 0.000 0.967 447 R CB -0.070 30.207 30.300 -0.039 0.000 0.861 447 R HN 0.317 nan 8.270 nan 0.000 0.442 448 E N 1.227 121.386 120.200 -0.067 0.000 2.077 448 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 448 E C 1.520 178.065 176.600 -0.091 0.000 0.989 448 E CA 1.536 57.890 56.400 -0.076 0.000 0.800 448 E CB 0.013 29.656 29.700 -0.095 0.000 0.746 448 E HN -0.073 nan 8.360 nan 0.000 0.452 449 K N -1.466 118.857 120.400 -0.129 0.000 2.525 449 K HA 0.122 4.442 4.320 -0.000 0.000 0.192 449 K C 0.827 177.377 176.600 -0.084 0.000 1.029 449 K CA 0.831 57.008 56.287 -0.183 0.000 1.029 449 K CB 0.203 32.478 32.500 -0.376 0.000 0.814 449 K HN 0.339 nan 8.250 nan 0.000 0.503 450 G N -0.180 108.592 108.800 -0.047 0.000 2.336 450 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.194 450 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.194 450 G C -0.136 174.753 174.900 -0.018 0.000 0.999 450 G CA -0.184 44.905 45.100 -0.018 0.000 0.669 450 G HN 0.271 nan 8.290 nan 0.000 0.482 451 R N 0.926 121.418 120.500 -0.014 0.000 2.502 451 R HA 0.360 4.700 4.340 -0.000 0.000 0.292 451 R C 1.143 177.430 176.300 -0.021 0.000 0.998 451 R CA 0.115 56.212 56.100 -0.004 0.000 1.056 451 R CB 0.241 30.546 30.300 0.008 0.000 0.939 451 R HN 0.136 nan 8.270 nan 0.000 0.411 452 R N 3.107 123.602 120.500 -0.007 0.000 2.446 452 R HA 0.085 4.425 4.340 -0.000 0.000 0.254 452 R C -0.089 176.238 176.300 0.045 0.000 0.918 452 R CA 0.257 56.341 56.100 -0.026 0.000 1.069 452 R CB 0.668 30.941 30.300 -0.045 0.000 1.194 452 R HN 0.499 nan 8.270 nan 0.000 0.534 453 K N 1.516 121.974 120.400 0.096 0.000 2.847 453 K HA 0.220 4.540 4.320 -0.000 0.000 0.213 453 K C -0.650 176.059 176.600 0.182 0.000 1.174 453 K CA -0.087 56.325 56.287 0.209 0.000 1.095 453 K CB 1.174 33.802 32.500 0.214 0.000 1.581 453 K HN -0.186 nan 8.250 nan 0.000 0.514 454 T N 1.973 116.585 114.554 0.098 0.000 2.765 454 T HA 0.019 4.369 4.350 -0.000 0.000 0.284 454 T C 0.191 174.975 174.700 0.141 0.000 0.946 454 T CA 0.466 62.613 62.100 0.078 0.000 1.185 454 T CB 0.240 69.119 68.868 0.017 0.000 0.887 454 T HN 0.197 nan 8.240 nan 0.000 0.532 455 T N 3.638 118.291 114.554 0.164 0.000 2.812 455 T HA 0.538 4.888 4.350 -0.000 0.000 0.282 455 T C -0.242 174.571 174.700 0.188 0.000 0.990 455 T CA -0.644 61.577 62.100 0.202 0.000 0.960 455 T CB 1.375 70.355 68.868 0.187 0.000 0.948 455 T HN 0.314 nan 8.240 nan 0.000 0.438 456 V N 4.081 124.119 119.914 0.206 0.000 2.555 456 V HA 0.574 4.694 4.120 -0.000 0.000 0.302 456 V C -0.458 175.770 176.094 0.223 0.000 1.038 456 V CA -0.888 61.563 62.300 0.251 0.000 0.887 456 V CB 1.904 33.905 31.823 0.298 0.000 0.991 456 V HN 0.813 nan 8.190 nan 0.000 0.434 457 I N 4.089 124.791 120.570 0.221 0.000 2.382 457 I HA 0.449 4.619 4.170 -0.000 0.000 0.286 457 I C -0.653 175.596 176.117 0.221 0.000 1.002 457 I CA -0.511 60.879 61.300 0.150 0.000 1.135 457 I CB 1.945 39.971 38.000 0.043 0.000 1.288 457 I HN 0.303 nan 8.210 nan 0.000 0.448 458 V N 6.390 126.402 119.914 0.163 0.000 2.357 458 V HA 0.592 4.712 4.120 -0.000 0.000 0.284 458 V C 0.596 176.716 176.094 0.043 0.000 1.018 458 V CA -0.698 61.674 62.300 0.119 0.000 0.841 458 V CB 1.249 33.054 31.823 -0.030 0.000 0.991 458 V HN 0.807 nan 8.190 nan 0.000 0.437 459 A N 3.106 125.951 122.820 0.042 0.000 2.366 459 A HA 0.319 4.639 4.320 -0.000 0.000 0.249 459 A C 1.328 178.899 177.584 -0.021 0.000 1.084 459 A CA 0.107 52.148 52.037 0.007 0.000 0.794 459 A CB 0.231 19.236 19.000 0.010 0.000 1.034 459 A HN 0.991 nan 8.150 nan 0.000 0.491 460 E N 1.086 121.273 120.200 -0.021 0.000 2.085 460 E HA -0.161 4.188 4.350 -0.000 0.000 0.194 460 E C 1.487 178.050 176.600 -0.061 0.000 0.994 460 E CA 1.511 57.889 56.400 -0.037 0.000 0.801 460 E CB -0.255 29.427 29.700 -0.030 0.000 0.743 460 E HN 0.786 nan 8.360 nan 0.000 0.453 461 G N -0.086 108.675 108.800 -0.065 0.000 3.233 461 G HA2 0.331 4.291 3.960 -0.000 0.000 0.227 461 G HA3 0.331 4.291 3.960 -0.000 0.000 0.227 461 G C 0.159 175.020 174.900 -0.066 0.000 1.175 461 G CA 0.168 45.221 45.100 -0.078 0.000 0.781 461 G HN 0.383 nan 8.290 nan 0.000 0.542 462 A N 0.722 123.500 122.820 -0.070 0.000 2.567 462 A HA 0.471 4.791 4.320 -0.000 0.000 0.240 462 A C 0.311 177.812 177.584 -0.138 0.000 1.053 462 A CA 0.404 52.390 52.037 -0.085 0.000 0.755 462 A CB -0.340 18.586 19.000 -0.124 0.000 0.978 462 A HN 0.885 nan 8.150 nan 0.000 0.507 463 I N -1.054 119.436 120.570 -0.134 0.000 3.279 463 I HA 0.739 4.909 4.170 -0.000 0.000 0.315 463 I C -0.981 175.022 176.117 -0.190 0.000 1.187 463 I CA -1.343 59.867 61.300 -0.150 0.000 0.953 463 I CB 2.373 40.321 38.000 -0.087 0.000 1.279 463 I HN 0.566 nan 8.210 nan 0.000 0.465 464 D N 0.064 120.369 120.400 -0.158 0.000 2.326 464 D HA 0.222 4.862 4.640 -0.000 0.000 0.251 464 D C 0.331 176.569 176.300 -0.104 0.000 1.023 464 D CA -0.499 53.430 54.000 -0.118 0.000 0.966 464 D CB 0.893 41.691 40.800 -0.003 0.000 1.156 464 D HN 0.712 nan 8.370 nan 0.000 0.494 465 D N -0.573 119.782 120.400 -0.076 0.000 2.389 465 D HA -0.230 4.410 4.640 -0.000 0.000 0.221 465 D C 0.952 177.413 176.300 0.268 0.000 0.974 465 D CA 0.925 54.939 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 -0.726 119.177 119.800 0.170 0.000 2.204 466 Q HA 0.301 4.641 4.340 -0.000 0.000 0.209 466 Q C 0.762 176.849 176.000 0.145 0.000 0.861 466 Q CA -0.354 55.548 55.803 0.164 0.000 0.971 466 Q CB 0.004 28.817 28.738 0.125 0.000 1.095 466 Q HN 0.122 nan 8.270 nan 0.000 0.486 467 L N -0.587 120.736 121.223 0.167 0.000 5.051 467 L HA -0.283 4.057 4.340 -0.000 0.000 0.432 467 L C -0.772 176.134 176.870 0.060 0.000 1.055 467 L CA 0.809 55.728 54.840 0.131 0.000 1.095 467 L CB -1.642 40.502 42.059 0.140 0.000 1.957 467 L HN 0.442 nan 8.230 nan 0.000 0.727 468 N N 2.871 121.599 118.700 0.047 0.000 2.497 468 N HA 0.248 4.988 4.740 -0.000 0.000 0.268 468 N C -2.024 173.471 175.510 -0.024 0.000 1.171 468 N CA -0.833 52.233 53.050 0.027 0.000 0.948 468 N CB 0.635 39.155 38.487 0.055 0.000 1.069 468 N HN 0.254 nan 8.380 nan 0.000 0.460 469 P HA 0.190 nan 4.420 nan 0.000 0.272 469 P C -0.242 176.974 177.300 -0.141 0.000 1.223 469 P CA 0.026 63.075 63.100 -0.085 0.000 0.784 469 P CB 0.948 32.612 31.700 -0.060 0.000 0.923 470 I N 1.860 122.276 120.570 -0.257 0.000 2.390 470 I HA 0.170 4.340 4.170 -0.000 0.000 0.283 470 I C 1.107 177.015 176.117 -0.348 0.000 1.016 470 I CA -0.517 60.526 61.300 -0.428 0.000 1.151 470 I CB 1.281 38.725 38.000 -0.926 0.000 1.293 470 I HN 0.308 nan 8.210 nan 0.000 0.458 471 T N 0.874 115.307 114.554 -0.201 0.000 2.868 471 T HA 0.112 4.462 4.350 -0.000 0.000 0.292 471 T C 1.330 175.939 174.700 -0.151 0.000 1.028 471 T CA -0.322 61.696 62.100 -0.137 0.000 1.059 471 T CB 1.528 70.361 68.868 -0.060 0.000 0.991 471 T HN 0.636 nan 8.240 nan 0.000 0.531 472 S N -0.074 115.566 115.700 -0.100 0.000 2.423 472 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 472 S C 1.751 176.341 174.600 -0.017 0.000 1.014 472 S CA 0.828 58.990 58.200 -0.063 0.000 0.965 472 S CB -0.576 62.612 63.200 -0.020 0.000 0.785 472 S HN 0.790 nan 8.310 nan 0.000 0.495 473 E N 1.749 121.943 120.200 -0.010 0.000 2.106 473 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 473 E C 1.965 178.582 176.600 0.027 0.000 0.984 473 E CA 1.420 57.826 56.400 0.010 0.000 0.806 473 E CB -0.380 29.325 29.700 0.008 0.000 0.750 473 E HN 0.739 nan 8.360 nan 0.000 0.458 474 E N -0.706 119.517 120.200 0.039 0.000 2.058 474 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 474 E C 2.072 178.777 176.600 0.175 0.000 0.997 474 E CA 1.591 58.061 56.400 0.116 0.000 0.801 474 E CB -0.012 29.798 29.700 0.184 0.000 0.746 474 E HN 0.118 nan 8.360 nan 0.000 0.450 475 V N 1.698 121.700 119.914 0.146 0.000 2.343 475 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 475 V C 2.391 178.549 176.094 0.107 0.000 1.051 475 V CA 1.707 64.113 62.300 0.176 0.000 1.036 475 V CB -0.554 31.296 31.823 0.045 0.000 0.654 475 V HN 0.238 nan 8.190 nan 0.000 0.451 476 K N 0.273 120.709 120.400 0.060 0.000 2.009 476 K HA -0.270 4.050 4.320 -0.000 0.000 0.210 476 K C 1.884 178.493 176.600 0.016 0.000 1.049 476 K CA 2.278 58.585 56.287 0.034 0.000 0.929 476 K CB -0.477 32.038 32.500 0.026 0.000 0.714 476 K HN 0.474 nan 8.250 nan 0.000 0.440 477 D N 0.580 120.989 120.400 0.015 0.000 2.133 477 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 477 D C 2.055 178.338 176.300 -0.029 0.000 0.997 477 D CA 1.129 55.125 54.000 -0.007 0.000 0.840 477 D CB -0.346 40.450 40.800 -0.007 0.000 0.947 477 D HN 0.084 nan 8.370 nan 0.000 0.452 478 V N 1.192 121.089 119.914 -0.028 0.000 2.261 478 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 478 V C 2.682 178.747 176.094 -0.049 0.000 1.047 478 V CA 1.313 63.570 62.300 -0.071 0.000 1.015 478 V CB -0.659 31.110 31.823 -0.090 0.000 0.642 478 V HN 0.180 nan 8.190 nan 0.000 0.446 479 L N -0.435 120.777 121.223 -0.018 0.000 2.141 479 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 479 L C 2.455 179.301 176.870 -0.040 0.000 1.094 479 L CA 0.786 55.610 54.840 -0.027 0.000 0.763 479 L CB -0.711 41.338 42.059 -0.016 0.000 0.908 479 L HN 0.184 nan 8.230 nan 0.000 0.437 480 V N 0.891 120.784 119.914 -0.035 0.000 2.427 480 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 480 V C 2.413 178.485 176.094 -0.036 0.000 1.051 480 V CA 2.027 64.306 62.300 -0.035 0.000 1.048 480 V CB -0.553 31.255 31.823 -0.026 0.000 0.666 480 V HN 0.658 nan 8.190 nan 0.000 0.456 481 E N -0.366 119.809 120.200 -0.042 0.000 2.516 481 E HA -0.102 4.248 4.350 -0.000 0.000 0.199 481 E C 1.477 178.050 176.600 -0.046 0.000 1.069 481 E CA 0.514 56.887 56.400 -0.045 0.000 0.876 481 E CB -0.013 29.654 29.700 -0.054 0.000 0.843 481 E HN 0.446 nan 8.360 nan 0.000 0.530 482 I N 1.009 121.552 120.570 -0.045 0.000 3.956 482 I HA 0.174 4.344 4.170 -0.000 0.000 0.333 482 I C 1.259 177.355 176.117 -0.034 0.000 1.302 482 I CA 0.696 61.971 61.300 -0.043 0.000 1.122 482 I CB -0.131 37.840 38.000 -0.048 0.000 1.013 482 I HN 0.361 nan 8.210 nan 0.000 0.405 483 G N 1.663 110.444 108.800 -0.032 0.000 2.149 483 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.235 483 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.235 483 G C 0.074 174.958 174.900 -0.027 0.000 1.018 483 G CA -0.183 44.903 45.100 -0.023 0.000 0.728 483 G HN 0.302 nan 8.290 nan 0.000 0.508 484 L N 0.342 121.538 121.223 -0.044 0.000 2.322 484 L HA 0.470 4.810 4.340 -0.000 0.000 0.281 484 L C -0.085 176.738 176.870 -0.079 0.000 1.014 484 L CA -1.047 53.751 54.840 -0.069 0.000 0.815 484 L CB 1.692 43.696 42.059 -0.091 0.000 1.247 484 L HN 0.107 nan 8.230 nan 0.000 0.421 485 D N 2.257 122.603 120.400 -0.089 0.000 2.383 485 D HA 0.097 4.737 4.640 -0.000 0.000 0.245 485 D C -0.407 175.803 176.300 -0.151 0.000 1.263 485 D CA 0.064 54.015 54.000 -0.082 0.000 0.936 485 D CB 0.597 41.370 40.800 -0.045 0.000 1.053 485 D HN 0.382 nan 8.370 nan 0.000 0.507 486 T N 4.549 119.037 114.554 -0.111 0.000 2.845 486 T HA 0.438 4.788 4.350 -0.000 0.000 0.288 486 T C 0.313 174.995 174.700 -0.030 0.000 0.980 486 T CA -0.757 61.273 62.100 -0.117 0.000 1.071 486 T CB 1.275 70.104 68.868 -0.066 0.000 0.941 486 T HN 0.143 nan 8.240 nan 0.000 0.487 487 R N 2.336 122.853 120.500 0.028 0.000 2.435 487 R HA 0.401 4.741 4.340 -0.000 0.000 0.308 487 R C -0.812 175.589 176.300 0.169 0.000 0.975 487 R CA -0.703 55.484 56.100 0.145 0.000 0.867 487 R CB 1.167 31.644 30.300 0.294 0.000 1.171 487 R HN 0.579 nan 8.270 nan 0.000 0.470 488 I N 1.706 122.341 120.570 0.108 0.000 2.575 488 I HA 0.140 4.310 4.170 -0.000 0.000 0.285 488 I C 0.642 176.817 176.117 0.097 0.000 1.085 488 I CA 0.634 61.992 61.300 0.095 0.000 1.403 488 I CB 0.985 39.021 38.000 0.060 0.000 1.409 488 I HN 0.312 nan 8.210 nan 0.000 0.557 489 T N 5.967 120.577 114.554 0.093 0.000 2.930 489 T HA 0.398 4.747 4.350 -0.000 0.000 0.313 489 T C -0.219 174.518 174.700 0.060 0.000 1.019 489 T CA -0.721 61.424 62.100 0.075 0.000 1.004 489 T CB 0.439 69.355 68.868 0.080 0.000 0.987 489 T HN 0.395 nan 8.240 nan 0.000 0.456 490 R N 3.125 123.654 120.500 0.048 0.000 2.207 490 R HA 0.342 4.682 4.340 -0.000 0.000 0.334 490 R C 1.073 177.398 176.300 0.042 0.000 1.013 490 R CA -0.752 55.373 56.100 0.041 0.000 0.858 490 R CB 0.767 31.087 30.300 0.034 0.000 1.094 490 R HN 0.400 nan 8.270 nan 0.000 0.457 491 L N 2.214 123.462 121.223 0.041 0.000 2.046 491 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 491 L C 1.460 178.357 176.870 0.046 0.000 1.077 491 L CA 2.252 57.117 54.840 0.042 0.000 0.747 491 L CB -1.279 40.800 42.059 0.035 0.000 0.896 491 L HN 1.022 nan 8.230 nan 0.000 0.432 492 G N -0.669 108.160 108.800 0.048 0.000 2.582 492 G HA2 -0.454 3.506 3.960 -0.000 0.000 0.288 492 G HA3 -0.454 3.506 3.960 -0.000 0.000 0.288 492 G C 0.790 175.744 174.900 0.089 0.000 1.247 492 G CA 0.911 46.054 45.100 0.071 0.000 0.972 492 G HN 0.493 nan 8.290 nan 0.000 0.557 493 H N 0.122 119.204 119.070 0.020 0.000 2.543 493 H HA 0.157 4.713 4.556 -0.000 0.000 0.286 493 H C 2.653 177.996 175.328 0.024 0.000 1.037 493 H CA 1.765 57.826 56.048 0.021 0.000 1.250 493 H CB -0.127 29.645 29.762 0.017 0.000 1.373 493 H HN 0.353 nan 8.280 nan 0.000 0.580 494 V N 0.225 120.160 119.914 0.035 0.000 2.380 494 V HA -0.321 3.799 4.120 -0.000 0.000 0.251 494 V C 2.137 178.206 176.094 -0.041 0.000 1.063 494 V CA 2.164 64.469 62.300 0.008 0.000 1.055 494 V CB -0.439 31.406 31.823 0.038 0.000 0.657 494 V HN 0.574 nan 8.190 nan 0.000 0.455 495 Q N -0.936 118.834 119.800 -0.050 0.000 2.500 495 Q HA -0.080 4.260 4.340 -0.000 0.000 0.213 495 Q C 2.106 178.050 176.000 -0.093 0.000 0.974 495 Q CA 0.759 56.535 55.803 -0.044 0.000 0.918 495 Q CB 0.067 28.795 28.738 -0.016 0.000 0.980 495 Q HN 0.634 nan 8.270 nan 0.000 0.505 496 R N -1.599 118.769 120.500 -0.221 0.000 2.344 496 R HA 0.192 4.532 4.340 -0.000 0.000 0.209 496 R C 0.708 176.896 176.300 -0.186 0.000 0.886 496 R CA 0.245 56.195 56.100 -0.251 0.000 1.040 496 R CB 0.835 30.868 30.300 -0.445 0.000 1.114 496 R HN -0.024 nan 8.270 nan 0.000 0.547 497 G N 0.198 108.903 108.800 -0.159 0.000 2.491 497 G HA2 0.564 4.524 3.960 -0.000 0.000 0.327 497 G HA3 0.564 4.524 3.960 -0.000 0.000 0.327 497 G C -0.165 174.725 174.900 -0.016 0.000 1.189 497 G CA 0.064 45.130 45.100 -0.057 0.000 0.956 497 G HN 0.279 nan 8.290 nan 0.000 0.491 498 G N -1.619 107.183 108.800 0.003 0.000 2.603 498 G HA2 0.435 4.395 3.960 -0.000 0.000 0.686 498 G HA3 0.435 4.395 3.960 -0.000 0.000 0.686 498 G C 0.095 175.001 174.900 0.010 0.000 1.286 498 G CA -0.066 45.041 45.100 0.011 0.000 0.871 498 G HN 1.989 nan 8.290 nan 0.000 0.568 499 A N 1.622 124.450 122.820 0.013 0.000 2.462 499 A HA 0.705 5.025 4.320 -0.000 0.000 0.243 499 A C -1.008 176.590 177.584 0.023 0.000 1.076 499 A CA -0.116 51.928 52.037 0.012 0.000 0.773 499 A CB -0.140 18.867 19.000 0.011 0.000 1.010 499 A HN 0.861 nan 8.150 nan 0.000 0.493 500 P HA 0.192 nan 4.420 nan 0.000 0.269 500 P C 0.429 177.766 177.300 0.063 0.000 1.215 500 P CA -0.300 62.824 63.100 0.039 0.000 0.780 500 P CB 0.122 31.832 31.700 0.018 0.000 0.898 501 C N 0.217 119.578 119.300 0.102 0.000 2.633 501 C HA 0.529 4.989 4.460 -0.000 0.000 0.345 501 C C 2.261 177.329 174.990 0.130 0.000 1.384 501 C CA 0.174 59.264 59.018 0.120 0.000 2.418 501 C CB -0.818 27.023 27.740 0.167 0.000 2.425 501 C HN 0.716 nan 8.230 nan 0.000 0.705 502 A N 0.824 123.719 122.820 0.124 0.000 1.873 502 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 502 A C 1.948 179.690 177.584 0.262 0.000 1.193 502 A CA 2.224 54.344 52.037 0.139 0.000 0.629 502 A CB -1.168 17.850 19.000 0.031 0.000 0.826 502 A HN 1.148 nan 8.150 nan 0.000 0.447 503 F N 0.767 120.793 119.950 0.127 0.000 2.102 503 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 503 F C 1.986 177.952 175.800 0.275 0.000 1.105 503 F CA 2.110 60.234 58.000 0.207 0.000 1.239 503 F CB -0.116 38.879 39.000 -0.009 0.000 0.991 503 F HN 0.230 nan 8.300 nan 0.000 0.474 504 D N 0.262 120.689 120.400 0.045 0.000 2.123 504 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 504 D C 2.347 178.582 176.300 -0.109 0.000 0.992 504 D CA 1.241 55.196 54.000 -0.074 0.000 0.833 504 D CB -0.295 40.543 40.800 0.064 0.000 0.954 504 D HN 0.332 nan 8.370 nan 0.000 0.455 505 R N -0.285 120.211 120.500 -0.006 0.000 2.083 505 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 505 R C 2.325 178.595 176.300 -0.050 0.000 1.137 505 R CA 1.220 57.312 56.100 -0.013 0.000 0.951 505 R CB -0.528 29.801 30.300 0.048 0.000 0.851 505 R HN 0.240 nan 8.270 nan 0.000 0.434 506 F N 1.118 120.985 119.950 -0.139 0.000 2.075 506 F HA -0.183 4.344 4.527 -0.000 0.000 0.297 506 F C 1.954 177.572 175.800 -0.303 0.000 1.113 506 F CA 1.261 59.124 58.000 -0.228 0.000 1.218 506 F CB -0.578 38.292 39.000 -0.216 0.000 0.984 506 F HN -0.062 nan 8.300 nan 0.000 0.472 507 L N 1.190 121.934 121.223 -0.799 0.000 2.012 507 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 507 L C 2.469 179.007 176.870 -0.553 0.000 1.073 507 L CA 2.246 56.565 54.840 -0.869 0.000 0.748 507 L CB -1.352 40.229 42.059 -0.796 0.000 0.891 507 L HN 0.287 nan 8.230 nan 0.000 0.431 508 A N -2.351 120.243 122.820 -0.377 0.000 1.929 508 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 508 A C 2.297 179.723 177.584 -0.263 0.000 1.176 508 A CA 1.916 53.796 52.037 -0.262 0.000 0.628 508 A CB -1.007 17.884 19.000 -0.182 0.000 0.816 508 A HN 0.465 nan 8.150 nan 0.000 0.444 509 T N -0.500 113.880 114.554 -0.289 0.000 2.737 509 T HA -0.097 4.253 4.350 -0.000 0.000 0.265 509 T C 1.909 176.443 174.700 -0.277 0.000 1.038 509 T CA 1.660 63.610 62.100 -0.250 0.000 1.144 509 T CB -0.290 68.453 68.868 -0.209 0.000 0.866 509 T HN 0.122 nan 8.240 nan 0.000 0.434 510 V N 1.338 121.004 119.914 -0.413 0.000 2.307 510 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 510 V C 2.600 178.523 176.094 -0.285 0.000 1.045 510 V CA 1.670 63.734 62.300 -0.394 0.000 1.024 510 V CB -0.566 30.856 31.823 -0.668 0.000 0.651 510 V HN 0.501 nan 8.190 nan 0.000 0.449 511 Q N -0.232 119.385 119.800 -0.305 0.000 2.167 511 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 511 Q C 2.337 178.245 176.000 -0.153 0.000 0.970 511 Q CA 1.494 57.176 55.803 -0.201 0.000 0.855 511 Q CB -0.468 28.154 28.738 -0.193 0.000 0.911 511 Q HN 0.736 nan 8.270 nan 0.000 0.438 512 G N 0.162 108.864 108.800 -0.164 0.000 2.418 512 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 512 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 512 G C 1.488 176.332 174.900 -0.092 0.000 1.158 512 G CA 0.761 45.785 45.100 -0.127 0.000 0.771 512 G HN 0.200 nan 8.290 nan 0.000 0.545 513 V N 0.996 120.853 119.914 -0.095 0.000 2.307 513 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 513 V C 2.454 178.533 176.094 -0.025 0.000 1.045 513 V CA 2.313 64.589 62.300 -0.040 0.000 1.024 513 V CB -0.432 31.360 31.823 -0.052 0.000 0.651 513 V HN 0.399 nan 8.190 nan 0.000 0.449 514 D N -0.123 120.239 120.400 -0.063 0.000 2.144 514 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 514 D C 2.124 178.388 176.300 -0.061 0.000 0.984 514 D CA 1.333 55.297 54.000 -0.060 0.000 0.834 514 D CB -0.132 40.626 40.800 -0.070 0.000 0.955 514 D HN 0.386 nan 8.370 nan 0.000 0.465 515 A N -0.238 122.544 122.820 -0.064 0.000 1.883 515 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 515 A C 2.459 180.014 177.584 -0.049 0.000 1.186 515 A CA 1.685 53.687 52.037 -0.059 0.000 0.624 515 A CB -0.920 18.041 19.000 -0.066 0.000 0.822 515 A HN 0.207 nan 8.150 nan 0.000 0.444 516 V N -0.170 119.726 119.914 -0.030 0.000 2.343 516 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 516 V C 2.653 178.710 176.094 -0.061 0.000 1.051 516 V CA 2.330 64.625 62.300 -0.008 0.000 1.036 516 V CB -0.840 31.025 31.823 0.070 0.000 0.654 516 V HN 0.533 nan 8.190 nan 0.000 0.451 517 R N 0.187 120.631 120.500 -0.093 0.000 2.073 517 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 517 R C 2.475 178.698 176.300 -0.127 0.000 1.134 517 R CA 1.540 57.536 56.100 -0.174 0.000 0.952 517 R CB -0.738 29.475 30.300 -0.145 0.000 0.850 517 R HN 0.518 nan 8.270 nan 0.000 0.433 518 A N 0.637 123.404 122.820 -0.087 0.000 1.986 518 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 518 A C 2.335 179.875 177.584 -0.072 0.000 1.171 518 A CA 1.601 53.595 52.037 -0.072 0.000 0.640 518 A CB -0.563 18.401 19.000 -0.060 0.000 0.811 518 A HN 0.143 nan 8.150 nan 0.000 0.451 519 V N -0.089 119.782 119.914 -0.071 0.000 2.270 519 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 519 V C 2.568 178.620 176.094 -0.071 0.000 1.043 519 V CA 2.035 64.297 62.300 -0.064 0.000 1.014 519 V CB -0.782 31.013 31.823 -0.047 0.000 0.645 519 V HN 0.593 nan 8.190 nan 0.000 0.447 520 L N -0.203 120.966 121.223 -0.090 0.000 2.017 520 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 520 L C 2.279 179.092 176.870 -0.095 0.000 1.073 520 L CA 1.690 56.468 54.840 -0.102 0.000 0.745 520 L CB -0.775 41.185 42.059 -0.165 0.000 0.894 520 L HN 0.328 nan 8.230 nan 0.000 0.432 521 E N -0.299 119.840 120.200 -0.102 0.000 2.515 521 E HA -0.047 4.303 4.350 -0.000 0.000 0.201 521 E C 0.797 177.359 176.600 -0.063 0.000 1.071 521 E CA -0.113 56.238 56.400 -0.082 0.000 0.880 521 E CB 0.052 29.701 29.700 -0.084 0.000 0.828 521 E HN 0.246 nan 8.360 nan 0.000 0.540 522 S N 0.628 116.290 115.700 -0.063 0.000 2.617 522 S HA 0.309 4.779 4.470 -0.000 0.000 0.269 522 S C -0.069 174.500 174.600 -0.052 0.000 1.292 522 S CA -0.313 57.853 58.200 -0.057 0.000 1.010 522 S CB 0.875 64.037 63.200 -0.064 0.000 0.944 522 S HN 0.219 nan 8.310 nan 0.000 0.536 523 T N 1.110 115.635 114.554 -0.048 0.000 2.840 523 T HA 0.455 4.805 4.350 -0.000 0.000 0.317 523 T C -2.690 171.985 174.700 -0.042 0.000 1.401 523 T CA -1.160 60.915 62.100 -0.042 0.000 1.028 523 T CB 0.915 69.763 68.868 -0.034 0.000 1.317 523 T HN 0.272 nan 8.240 nan 0.000 0.495 524 P HA 0.048 nan 4.420 nan 0.000 0.221 524 P C 1.549 178.833 177.300 -0.026 0.000 1.145 524 P CA 1.165 64.245 63.100 -0.034 0.000 0.795 524 P CB -0.193 31.492 31.700 -0.025 0.000 0.775 525 A N -0.721 122.086 122.820 -0.023 0.000 1.929 525 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 525 A C 1.236 178.809 177.584 -0.020 0.000 1.176 525 A CA 0.562 52.589 52.037 -0.018 0.000 0.628 525 A CB -1.135 17.855 19.000 -0.016 0.000 0.816 525 A HN 0.198 nan 8.150 nan 0.000 0.444 526 I N 2.368 122.923 120.570 -0.025 0.000 2.363 526 I HA 0.245 4.415 4.170 -0.000 0.000 0.292 526 I C -2.031 174.068 176.117 -0.029 0.000 1.075 526 I CA -2.620 58.665 61.300 -0.026 0.000 1.333 526 I CB 0.881 38.864 38.000 -0.029 0.000 1.415 526 I HN 0.110 nan 8.210 nan 0.000 0.502 527 P HA 0.057 nan 4.420 nan 0.000 0.269 527 P C -0.530 176.753 177.300 -0.029 0.000 1.209 527 P CA -0.235 62.850 63.100 -0.024 0.000 0.776 527 P CB 0.434 32.124 31.700 -0.016 0.000 0.876 528 S N 4.091 119.772 115.700 -0.032 0.000 2.555 528 S HA 0.130 4.600 4.470 -0.000 0.000 0.293 528 S C -1.625 172.961 174.600 -0.024 0.000 1.248 528 S CA -0.275 57.904 58.200 -0.034 0.000 1.096 528 S CB -0.612 62.568 63.200 -0.034 0.000 0.881 528 S HN 0.451 nan 8.310 nan 0.000 0.498 529 P HA 0.509 nan 4.420 nan 0.000 0.289 529 P C -1.171 176.116 177.300 -0.021 0.000 1.300 529 P CA -0.763 62.324 63.100 -0.023 0.000 0.828 529 P CB 0.879 32.562 31.700 -0.028 0.000 1.235 530 V N 1.678 121.580 119.914 -0.021 0.000 2.407 530 V HA 0.213 4.333 4.120 -0.000 0.000 0.291 530 V C 0.221 176.297 176.094 -0.029 0.000 1.018 530 V CA -0.767 61.519 62.300 -0.023 0.000 0.842 530 V CB 1.226 33.038 31.823 -0.018 0.000 0.996 530 V HN 0.335 nan 8.190 nan 0.000 0.426 531 I N 4.369 124.915 120.570 -0.040 0.000 2.494 531 I HA 0.265 4.435 4.170 -0.000 0.000 0.289 531 I C 0.707 176.799 176.117 -0.042 0.000 1.106 531 I CA 0.908 62.180 61.300 -0.046 0.000 1.369 531 I CB 0.016 37.977 38.000 -0.064 0.000 1.410 531 I HN 0.555 nan 8.210 nan 0.000 0.523 532 S N 6.796 122.480 115.700 -0.026 0.000 2.726 532 S HA 0.718 5.188 4.470 -0.000 0.000 0.308 532 S C -0.366 174.239 174.600 0.009 0.000 1.115 532 S CA -0.655 57.539 58.200 -0.010 0.000 0.965 532 S CB 2.866 66.065 63.200 -0.001 0.000 1.145 532 S HN 0.560 nan 8.310 nan 0.000 0.532 533 I N 1.366 121.961 120.570 0.041 0.000 2.498 533 I HA 0.481 4.651 4.170 -0.000 0.000 0.290 533 I C -0.853 175.320 176.117 0.093 0.000 1.032 533 I CA -0.472 60.881 61.300 0.089 0.000 1.073 533 I CB 0.880 38.977 38.000 0.161 0.000 1.251 533 I HN 0.651 nan 8.210 nan 0.000 0.426 534 L N 4.732 126.012 121.223 0.094 0.000 3.635 534 L HA 0.406 4.746 4.340 -0.000 0.000 0.185 534 L C 0.359 177.285 176.870 0.094 0.000 1.293 534 L CA -0.418 54.473 54.840 0.084 0.000 1.200 534 L CB -0.036 42.061 42.059 0.063 0.000 1.655 534 L HN 0.453 nan 8.230 nan 0.000 0.762 535 E N 1.748 122.000 120.200 0.086 0.000 2.341 535 E HA 0.106 4.456 4.350 -0.000 0.000 0.279 535 E C -0.616 176.042 176.600 0.097 0.000 1.395 535 E CA -0.055 56.395 56.400 0.083 0.000 1.648 535 E CB 0.006 29.748 29.700 0.069 0.000 1.524 535 E HN 0.305 nan 8.360 nan 0.000 0.462 536 N N 1.056 119.833 118.700 0.129 0.000 2.878 536 N HA -0.155 4.585 4.740 -0.000 0.000 0.247 536 N C -0.771 174.860 175.510 0.201 0.000 1.021 536 N CA 1.093 54.251 53.050 0.180 0.000 0.873 536 N CB -0.602 37.966 38.487 0.135 0.000 1.128 536 N HN 0.213 nan 8.380 nan 0.000 0.571 537 K N 0.612 121.103 120.400 0.150 0.000 2.244 537 K HA 0.458 4.778 4.320 -0.000 0.000 0.260 537 K C 0.251 176.911 176.600 0.100 0.000 0.951 537 K CA -0.557 55.803 56.287 0.121 0.000 0.826 537 K CB 1.342 33.894 32.500 0.087 0.000 1.108 537 K HN -0.017 nan 8.250 nan 0.000 0.433 538 I N 3.834 124.449 120.570 0.076 0.000 2.556 538 I HA 0.133 4.303 4.170 -0.000 0.000 0.284 538 I C 0.001 176.130 176.117 0.020 0.000 1.114 538 I CA -0.156 61.161 61.300 0.029 0.000 1.418 538 I CB 0.523 38.514 38.000 -0.016 0.000 1.394 538 I HN 0.261 nan 8.210 nan 0.000 0.552 539 V N 7.625 127.547 119.914 0.012 0.000 2.962 539 V HA 0.466 4.586 4.120 -0.000 0.000 0.313 539 V C 0.043 176.134 176.094 -0.006 0.000 1.099 539 V CA -1.004 61.301 62.300 0.009 0.000 0.971 539 V CB 2.746 34.581 31.823 0.021 0.000 1.028 539 V HN 0.604 nan 8.190 nan 0.000 0.430 540 R N 2.804 123.298 120.500 -0.009 0.000 2.278 540 R HA 0.431 4.771 4.340 -0.000 0.000 0.322 540 R C -0.659 175.635 176.300 -0.011 0.000 1.058 540 R CA -0.568 55.522 56.100 -0.016 0.000 0.991 540 R CB 0.980 31.267 30.300 -0.023 0.000 1.140 540 R HN 0.601 nan 8.270 nan 0.000 0.518 541 Q N 2.795 122.589 119.800 -0.010 0.000 2.260 541 Q HA 0.309 4.649 4.340 -0.000 0.000 0.242 541 Q C -2.262 173.733 176.000 -0.009 0.000 0.932 541 Q CA -2.158 53.641 55.803 -0.006 0.000 0.891 541 Q CB 1.178 29.914 28.738 -0.004 0.000 1.222 541 Q HN 0.279 nan 8.270 nan 0.000 0.453 542 P HA 0.109 nan 4.420 nan 0.000 0.281 542 P C 0.669 177.967 177.300 -0.004 0.000 1.252 542 P CA -0.160 62.936 63.100 -0.007 0.000 0.778 542 P CB 0.717 32.414 31.700 -0.005 0.000 0.895 543 L N 3.525 124.746 121.223 -0.003 0.000 2.043 543 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 543 L C 1.918 178.792 176.870 0.008 0.000 1.075 543 L CA 1.977 56.819 54.840 0.005 0.000 0.752 543 L CB -0.398 41.669 42.059 0.013 0.000 0.891 543 L HN 0.165 nan 8.230 nan 0.000 0.432 544 V N -1.511 118.407 119.914 0.007 0.000 2.255 544 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 544 V C 2.202 178.298 176.094 0.003 0.000 1.051 544 V CA 2.144 64.448 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 0.470 nan 8.190 nan 0.000 0.445 545 E N 0.702 120.902 120.200 0.000 0.000 2.072 545 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 545 E C 2.475 179.072 176.600 -0.005 0.000 0.985 545 E CA 1.522 57.921 56.400 -0.002 0.000 0.801 545 E CB -0.226 29.474 29.700 -0.002 0.000 0.750 545 E HN 0.597 nan 8.360 nan 0.000 0.452 546 S N 0.337 116.034 115.700 -0.006 0.000 2.383 546 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 546 S C 2.158 176.750 174.600 -0.014 0.000 1.026 546 S CA 0.737 58.931 58.200 -0.011 0.000 0.981 546 S CB -0.017 63.177 63.200 -0.011 0.000 0.818 546 S HN 0.054 nan 8.310 nan 0.000 0.472 547 V N 1.756 121.665 119.914 -0.008 0.000 2.379 547 V HA -0.109 4.010 4.120 -0.000 0.000 0.245 547 V C 2.589 178.674 176.094 -0.014 0.000 1.044 547 V CA 1.529 63.823 62.300 -0.010 0.000 1.036 547 V CB -1.103 30.722 31.823 0.004 0.000 0.664 547 V HN 0.515 nan 8.190 nan 0.000 0.453 548 A N -0.707 122.108 122.820 -0.009 0.000 1.877 548 A HA -0.283 4.037 4.320 -0.000 0.000 0.216 548 A C 2.178 179.753 177.584 -0.016 0.000 1.186 548 A CA 1.958 53.989 52.037 -0.010 0.000 0.620 548 A CB -0.490 18.506 19.000 -0.006 0.000 0.822 548 A HN 0.592 nan 8.150 nan 0.000 0.443 549 Q N -1.533 118.258 119.800 -0.016 0.000 2.084 549 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 549 Q C 2.264 178.247 176.000 -0.029 0.000 0.978 549 Q CA 1.843 57.633 55.803 -0.020 0.000 0.844 549 Q CB -0.383 28.344 28.738 -0.018 0.000 0.898 549 Q HN 0.648 nan 8.270 nan 0.000 0.426 550 T N 0.336 114.870 114.554 -0.033 0.000 2.833 550 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 550 T C 1.576 176.248 174.700 -0.046 0.000 1.054 550 T CA 1.160 63.233 62.100 -0.044 0.000 1.135 550 T CB 0.054 68.892 68.868 -0.050 0.000 0.869 550 T HN 0.139 nan 8.240 nan 0.000 0.466 551 K N 0.289 120.665 120.400 -0.039 0.000 2.097 551 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 551 K C 2.548 179.132 176.600 -0.026 0.000 1.050 551 K CA 1.693 57.959 56.287 -0.035 0.000 0.938 551 K CB -0.219 32.265 32.500 -0.026 0.000 0.718 551 K HN 0.514 nan 8.250 nan 0.000 0.442 552 T N -0.839 113.700 114.554 -0.024 0.000 2.915 552 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 552 T C 2.036 176.721 174.700 -0.025 0.000 1.071 552 T CA 1.160 63.246 62.100 -0.023 0.000 1.132 552 T CB -0.571 68.284 68.868 -0.021 0.000 0.878 552 T HN 0.106 nan 8.240 nan 0.000 0.479 553 V N 0.461 120.357 119.914 -0.029 0.000 2.379 553 V HA -0.045 4.075 4.120 -0.000 0.000 0.245 553 V C 2.496 178.588 176.094 -0.002 0.000 1.044 553 V CA 1.844 64.127 62.300 -0.028 0.000 1.036 553 V CB -1.235 30.558 31.823 -0.051 0.000 0.664 553 V HN 0.470 nan 8.190 nan 0.000 0.453 554 S N 1.359 117.062 115.700 0.006 0.000 2.370 554 S HA -0.078 4.392 4.470 -0.000 0.000 0.226 554 S C 2.296 176.911 174.600 0.025 0.000 1.033 554 S CA 1.776 59.998 58.200 0.037 0.000 1.011 554 S CB -0.793 62.417 63.200 0.017 0.000 0.852 554 S HN 0.992 nan 8.310 nan 0.000 0.457 555 A N 1.864 124.684 122.820 -0.000 0.000 1.877 555 A HA 0.089 4.409 4.320 -0.000 0.000 0.216 555 A C 2.418 179.984 177.584 -0.031 0.000 1.186 555 A CA 1.796 53.825 52.037 -0.012 0.000 0.620 555 A CB -1.310 17.679 19.000 -0.018 0.000 0.822 555 A HN 0.522 nan 8.150 nan 0.000 0.443 556 A N 0.282 123.079 122.820 -0.038 0.000 1.873 556 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 556 A C 2.072 179.585 177.584 -0.118 0.000 1.193 556 A CA 1.827 53.820 52.037 -0.074 0.000 0.629 556 A CB -0.645 18.323 19.000 -0.053 0.000 0.826 556 A HN 0.465 nan 8.150 nan 0.000 0.447 557 I N -0.232 120.327 120.570 -0.020 0.000 2.127 557 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 557 I C 2.992 179.119 176.117 0.017 0.000 1.075 557 I CA 2.042 63.388 61.300 0.078 0.000 1.334 557 I CB -1.919 36.190 38.000 0.181 0.000 1.040 557 I HN 0.588 nan 8.210 nan 0.000 0.405 558 E N 1.283 121.495 120.200 0.020 0.000 2.160 558 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 558 E C 2.164 178.742 176.600 -0.038 0.000 0.991 558 E CA 1.559 57.967 56.400 0.014 0.000 0.810 558 E CB -0.721 28.991 29.700 0.019 0.000 0.742 558 E HN 0.624 nan 8.360 nan 0.000 0.466 559 A N -0.501 122.262 122.820 -0.095 0.000 2.278 559 A HA 0.299 4.619 4.320 -0.000 0.000 0.212 559 A C 1.174 178.620 177.584 -0.230 0.000 1.213 559 A CA 0.858 52.821 52.037 -0.124 0.000 0.840 559 A CB -0.281 18.656 19.000 -0.105 0.000 0.866 559 A HN 0.422 nan 8.150 nan 0.000 0.489 560 K N -0.578 119.590 120.400 -0.386 0.000 3.130 560 K HA -0.198 4.122 4.320 -0.000 0.000 0.282 560 K C -0.463 175.516 176.600 -1.036 0.000 1.145 560 K CA 1.061 56.881 56.287 -0.779 0.000 0.831 560 K CB -1.247 31.095 32.500 -0.263 0.000 1.226 560 K HN 0.539 nan 8.250 nan 0.000 0.478 561 D N 0.151 120.110 120.400 -0.735 0.000 2.540 561 D HA 0.189 4.829 4.640 -0.000 0.000 0.251 561 D C 0.439 176.521 176.300 -0.362 0.000 1.159 561 D CA -0.655 53.086 54.000 -0.433 0.000 0.974 561 D CB -0.100 40.578 40.800 -0.203 0.000 0.996 561 D HN 0.039 nan 8.370 nan 0.000 0.512 562 F N 0.226 120.183 119.950 0.011 0.000 2.604 562 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 562 F C 2.031 177.833 175.800 0.003 0.000 1.131 562 F CA 0.066 58.068 58.000 0.003 0.000 1.457 562 F CB -0.070 38.937 39.000 0.012 0.000 1.095 562 F HN 0.216 nan 8.300 nan 0.000 0.574 563 D N 0.676 121.149 120.400 0.123 0.000 2.103 563 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 563 D C 2.294 178.623 176.300 0.048 0.000 0.978 563 D CA 0.929 54.983 54.000 0.091 0.000 0.829 563 D CB -0.186 40.657 40.800 0.071 0.000 0.981 563 D HN 0.196 nan 8.370 nan 0.000 0.464 564 K N 0.738 121.145 120.400 0.011 0.000 2.063 564 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 564 K C 1.970 178.564 176.600 -0.011 0.000 1.048 564 K CA 1.276 57.559 56.287 -0.006 0.000 0.928 564 K CB -0.014 32.469 32.500 -0.029 0.000 0.713 564 K HN -0.008 nan 8.250 nan 0.000 0.442 565 A N 1.413 124.229 122.820 -0.007 0.000 1.858 565 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 565 A C 2.152 179.695 177.584 -0.070 0.000 1.190 565 A CA 1.368 53.391 52.037 -0.024 0.000 0.617 565 A CB -0.688 18.328 19.000 0.026 0.000 0.827 565 A HN 0.385 nan 8.150 nan 0.000 0.443 566 L N -0.645 120.560 121.223 -0.030 0.000 2.046 566 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 566 L C 2.749 179.606 176.870 -0.022 0.000 1.077 566 L CA 1.913 56.722 54.840 -0.052 0.000 0.747 566 L CB -0.313 41.770 42.059 0.040 0.000 0.896 566 L HN 0.482 nan 8.230 nan 0.000 0.432 567 Q N -0.767 119.041 119.800 0.013 0.000 2.170 567 Q HA -0.203 4.137 4.340 -0.000 0.000 0.203 567 Q C 2.121 178.120 176.000 -0.001 0.000 0.976 567 Q CA 1.416 57.234 55.803 0.025 0.000 0.858 567 Q CB -0.152 28.605 28.738 0.030 0.000 0.907 567 Q HN 0.482 nan 8.270 nan 0.000 0.433 568 L N 0.391 121.593 121.223 -0.034 0.000 2.622 568 L HA -0.045 4.295 4.340 -0.000 0.000 0.233 568 L C 0.357 177.179 176.870 -0.080 0.000 1.156 568 L CA 0.216 55.027 54.840 -0.048 0.000 0.866 568 L CB 0.188 42.215 42.059 -0.053 0.000 0.980 568 L HN 0.018 nan 8.230 nan 0.000 0.448 569 R N 0.712 121.139 120.500 -0.122 0.000 2.404 569 R HA 0.178 4.518 4.340 -0.000 0.000 0.291 569 R C -0.424 175.874 176.300 -0.004 0.000 1.025 569 R CA -0.686 55.312 56.100 -0.171 0.000 0.991 569 R CB 0.729 30.717 30.300 -0.520 0.000 1.053 569 R HN 0.081 nan 8.270 nan 0.000 0.479 570 D N 1.143 121.575 120.400 0.053 0.000 2.364 570 D HA -0.086 4.554 4.640 -0.000 0.000 0.236 570 D C 0.861 177.265 176.300 0.174 0.000 1.221 570 D CA -0.273 53.792 54.000 0.109 0.000 0.891 570 D CB 0.702 41.563 40.800 0.102 0.000 1.190 570 D HN 0.148 nan 8.370 nan 0.000 0.449 571 Q N -0.126 119.762 119.800 0.147 0.000 2.181 571 Q HA -0.216 4.124 4.340 -0.000 0.000 0.205 571 Q C 1.669 177.781 176.000 0.188 0.000 0.980 571 Q CA 1.287 57.184 55.803 0.156 0.000 0.862 571 Q CB -0.295 28.516 28.738 0.121 0.000 0.905 571 Q HN 0.778 nan 8.270 nan 0.000 0.429 572 E N -0.327 119.992 120.200 0.198 0.000 2.049 572 E HA -0.208 4.142 4.350 -0.000 0.000 0.198 572 E C 1.841 178.603 176.600 0.270 0.000 1.007 572 E CA 1.054 57.586 56.400 0.221 0.000 0.809 572 E CB -0.287 29.557 29.700 0.239 0.000 0.749 572 E HN 0.352 nan 8.360 nan 0.000 0.450 573 F N 0.836 120.900 119.950 0.188 0.000 2.113 573 F HA -0.132 4.394 4.527 -0.000 0.000 0.297 573 F C 2.349 178.243 175.800 0.156 0.000 1.103 573 F CA 1.645 59.759 58.000 0.189 0.000 1.248 573 F CB -0.271 38.828 39.000 0.165 0.000 0.999 573 F HN 0.118 nan 8.300 nan 0.000 0.475 574 A N -0.074 122.999 122.820 0.422 0.000 1.858 574 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 574 A C 2.229 179.957 177.584 0.239 0.000 1.190 574 A CA 2.588 54.827 52.037 0.336 0.000 0.617 574 A CB -1.630 17.520 19.000 0.250 0.000 0.827 574 A HN 0.510 nan 8.150 nan 0.000 0.443 575 T N -2.916 111.745 114.554 0.180 0.000 2.788 575 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 575 T C 2.010 176.769 174.700 0.099 0.000 1.044 575 T CA 1.857 64.035 62.100 0.131 0.000 1.139 575 T CB -0.569 68.370 68.868 0.119 0.000 0.867 575 T HN 0.262 nan 8.240 nan 0.000 0.454 576 S N 0.535 116.279 115.700 0.074 0.000 2.368 576 S HA -0.001 4.469 4.470 -0.000 0.000 0.224 576 S C 1.627 176.247 174.600 0.033 0.000 1.029 576 S CA 0.929 59.130 58.200 0.002 0.000 0.988 576 S CB -0.612 62.522 63.200 -0.109 0.000 0.838 576 S HN 0.617 nan 8.310 nan 0.000 0.462 577 Y N 2.687 122.925 120.300 -0.104 0.000 2.200 577 Y HA -0.124 4.426 4.550 -0.000 0.000 0.290 577 Y C 2.651 178.582 175.900 0.052 0.000 1.137 577 Y CA 1.667 59.732 58.100 -0.057 0.000 1.163 577 Y CB -0.993 37.450 38.460 -0.028 0.000 0.988 577 Y HN 0.345 nan 8.280 nan 0.000 0.518 578 E N 0.436 120.649 120.200 0.021 0.000 2.077 578 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 578 E C 1.967 178.538 176.600 -0.048 0.000 0.989 578 E CA 1.688 58.062 56.400 -0.044 0.000 0.800 578 E CB -1.094 28.639 29.700 0.055 0.000 0.746 578 E HN 0.772 nan 8.360 nan 0.000 0.452 579 N N -1.523 117.176 118.700 -0.001 0.000 2.142 579 N HA -0.054 4.686 4.740 -0.000 0.000 0.186 579 N C 1.821 177.279 175.510 -0.087 0.000 1.023 579 N CA 1.263 54.303 53.050 -0.017 0.000 0.852 579 N CB -0.194 38.305 38.487 0.020 0.000 0.998 579 N HN 0.458 nan 8.380 nan 0.000 0.424 580 F N 1.771 121.610 119.950 -0.186 0.000 2.102 580 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 580 F C 2.017 177.653 175.800 -0.273 0.000 1.105 580 F CA 0.902 58.771 58.000 -0.218 0.000 1.239 580 F CB -0.290 38.603 39.000 -0.179 0.000 0.991 580 F HN -0.092 nan 8.300 nan 0.000 0.474 581 L N 0.091 121.141 121.223 -0.289 0.000 2.083 581 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 581 L C 2.570 179.255 176.870 -0.307 0.000 1.083 581 L CA 1.766 56.392 54.840 -0.357 0.000 0.752 581 L CB -1.322 40.501 42.059 -0.393 0.000 0.899 581 L HN 0.128 nan 8.230 nan 0.000 0.433 582 S N -1.050 114.498 115.700 -0.253 0.000 2.349 582 S HA -0.178 4.292 4.470 -0.000 0.000 0.216 582 S C 2.042 176.152 174.600 -0.816 0.000 1.033 582 S CA 1.541 59.610 58.200 -0.218 0.000 1.021 582 S CB -0.553 62.598 63.200 -0.082 0.000 0.968 582 S HN 0.235 nan 8.310 nan 0.000 0.426 583 V N 1.558 120.829 119.914 -1.073 0.000 2.324 583 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 583 V C 2.573 178.151 176.094 -0.860 0.000 1.060 583 V CA 2.103 63.572 62.300 -1.385 0.000 1.042 583 V CB -1.029 30.373 31.823 -0.702 0.000 0.650 583 V HN 0.494 nan 8.190 nan 0.000 0.450 584 S N -0.146 115.151 115.700 -0.671 0.000 2.359 584 S HA -0.218 4.252 4.470 -0.000 0.000 0.224 584 S C 2.052 176.568 174.600 -0.141 0.000 1.035 584 S CA 2.055 60.001 58.200 -0.423 0.000 1.018 584 S CB -0.342 62.526 63.200 -0.554 0.000 0.876 584 S HN 0.719 nan 8.310 nan 0.000 0.448 585 K N -0.106 120.205 120.400 -0.149 0.000 2.505 585 K HA 0.135 4.455 4.320 -0.000 0.000 0.192 585 K C 1.299 178.069 176.600 0.283 0.000 1.025 585 K CA 0.511 56.846 56.287 0.080 0.000 1.086 585 K CB -0.963 31.625 32.500 0.147 0.000 0.840 585 K HN 0.585 nan 8.250 nan 0.000 0.514 586 Y N 1.649 121.954 120.300 0.008 0.000 2.333 586 Y HA -0.095 4.454 4.550 -0.000 0.000 0.290 586 Y C 1.461 177.409 175.900 0.080 0.000 1.144 586 Y CA 1.100 59.187 58.100 -0.023 0.000 1.228 586 Y CB -0.461 38.005 38.460 0.010 0.000 0.985 586 Y HN 0.455 nan 8.280 nan 0.000 0.542 587 D N -0.416 120.014 120.400 0.051 0.000 2.264 587 D HA -0.124 4.516 4.640 -0.000 0.000 0.208 587 D C 1.628 177.873 176.300 -0.092 0.000 0.966 587 D CA 0.988 54.852 54.000 -0.226 0.000 0.864 587 D CB -0.203 40.459 40.800 -0.230 0.000 0.933 587 D HN 0.208 nan 8.370 nan 0.000 0.499 588 D N 0.083 120.508 120.400 0.041 0.000 2.126 588 D HA -0.118 4.522 4.640 -0.000 0.000 0.190 588 D C 1.957 178.279 176.300 0.038 0.000 1.001 588 D CA 2.055 56.077 54.000 0.037 0.000 0.841 588 D CB -0.334 40.521 40.800 0.091 0.000 0.949 588 D HN 0.347 nan 8.370 nan 0.000 0.446 589 G N -0.956 107.912 108.800 0.113 0.000 2.159 589 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.227 589 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.227 589 G C 1.120 176.066 174.900 0.076 0.000 0.986 589 G CA 1.091 46.250 45.100 0.097 0.000 0.651 589 G HN 0.439 nan 8.290 nan 0.000 0.523 590 S N -0.922 114.818 115.700 0.066 0.000 2.453 590 S HA 0.058 4.528 4.470 -0.000 0.000 0.231 590 S C 1.760 176.280 174.600 -0.134 0.000 1.005 590 S CA 1.465 59.626 58.200 -0.065 0.000 0.949 590 S CB -0.321 62.789 63.200 -0.149 0.000 0.774 590 S HN 0.489 nan 8.310 nan 0.000 0.510 591 Y N 1.331 121.657 120.300 0.042 0.000 2.519 591 Y HA 0.350 4.900 4.550 -0.000 0.000 0.287 591 Y C 1.291 177.177 175.900 -0.023 0.000 1.128 591 Y CA -0.360 57.755 58.100 0.024 0.000 1.282 591 Y CB -0.047 38.434 38.460 0.036 0.000 1.027 591 Y HN 0.224 nan 8.280 nan 0.000 0.551 592 L N 2.392 123.674 121.223 0.099 0.000 2.578 592 L HA 0.031 4.371 4.340 -0.000 0.000 0.279 592 L C 0.102 176.964 176.870 -0.013 0.000 1.227 592 L CA 0.539 55.391 54.840 0.021 0.000 0.900 592 L CB 0.155 42.230 42.059 0.027 0.000 1.144 592 L HN 0.011 nan 8.230 nan 0.000 0.496 593 V N 4.479 124.363 119.914 -0.050 0.000 2.815 593 V HA 0.667 4.787 4.120 -0.000 0.000 0.314 593 V C -2.308 173.768 176.094 -0.029 0.000 1.064 593 V CA -2.059 60.222 62.300 -0.033 0.000 0.952 593 V CB 1.328 33.139 31.823 -0.020 0.000 1.020 593 V HN 0.704 nan 8.190 nan 0.000 0.439 594 P HA 0.071 nan 4.420 nan 0.000 0.266 594 P C 0.619 177.899 177.300 -0.034 0.000 1.193 594 P CA 0.377 63.463 63.100 -0.023 0.000 0.770 594 P CB 0.706 32.394 31.700 -0.021 0.000 0.836 595 E N 1.324 121.498 120.200 -0.042 0.000 2.136 595 E HA -0.239 4.111 4.350 -0.000 0.000 0.202 595 E C 2.037 178.591 176.600 -0.075 0.000 1.019 595 E CA 2.551 58.923 56.400 -0.045 0.000 0.819 595 E CB -0.289 29.385 29.700 -0.042 0.000 0.739 595 E HN 0.555 nan 8.360 nan 0.000 0.458 596 S N -0.099 115.508 115.700 -0.155 0.000 2.382 596 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 596 S C 2.033 176.457 174.600 -0.294 0.000 1.027 596 S CA 1.248 59.227 58.200 -0.370 0.000 0.991 596 S CB -0.110 62.763 63.200 -0.544 0.000 0.823 596 S HN 0.022 nan 8.310 nan 0.000 0.469 597 S N 1.208 116.874 115.700 -0.056 0.000 2.607 597 S HA 0.177 4.647 4.470 -0.000 0.000 0.224 597 S C 0.620 175.340 174.600 0.200 0.000 0.969 597 S CA -0.081 58.199 58.200 0.134 0.000 0.927 597 S CB -0.085 63.191 63.200 0.126 0.000 0.772 597 S HN 0.441 nan 8.310 nan 0.000 0.533 598 R N 1.102 121.688 120.500 0.143 0.000 2.490 598 R HA 0.483 4.823 4.340 -0.000 0.000 0.280 598 R C -0.506 175.970 176.300 0.294 0.000 1.077 598 R CA 0.163 56.407 56.100 0.240 0.000 1.065 598 R CB 0.426 30.787 30.300 0.101 0.000 1.003 598 R HN 0.200 nan 8.270 nan 0.000 0.470 599 L N 1.244 122.719 121.223 0.420 0.000 2.257 599 L HA 0.486 4.826 4.340 -0.000 0.000 0.257 599 L C -0.427 176.565 176.870 0.203 0.000 1.033 599 L CA -1.329 53.618 54.840 0.178 0.000 0.835 599 L CB 1.403 43.426 42.059 -0.060 0.000 1.398 599 L HN 0.411 nan 8.230 nan 0.000 0.429 600 N N 1.559 120.394 118.700 0.226 0.000 2.511 600 N HA 0.470 5.210 4.740 -0.000 0.000 0.249 600 N C -1.120 174.596 175.510 0.343 0.000 0.971 600 N CA -0.330 52.965 53.050 0.408 0.000 0.938 600 N CB 1.293 40.044 38.487 0.440 0.000 1.131 600 N HN 0.328 nan 8.380 nan 0.000 0.505 601 I N 1.328 122.042 120.570 0.241 0.000 2.359 601 I HA 0.483 4.653 4.170 -0.000 0.000 0.294 601 I C 0.522 176.608 176.117 -0.053 0.000 0.987 601 I CA -1.265 60.061 61.300 0.044 0.000 1.225 601 I CB 0.759 38.734 38.000 -0.042 0.000 1.366 601 I HN 0.331 nan 8.210 nan 0.000 0.466 602 A N 7.818 130.432 122.820 -0.343 0.000 2.317 602 A HA 0.845 5.165 4.320 -0.000 0.000 0.327 602 A C -0.443 176.930 177.584 -0.351 0.000 1.178 602 A CA -0.499 51.158 52.037 -0.632 0.000 0.817 602 A CB 0.828 18.919 19.000 -1.516 0.000 1.189 602 A HN 0.634 nan 8.150 nan 0.000 0.489 603 I N 2.729 123.130 120.570 -0.282 0.000 2.465 603 I HA 0.504 4.674 4.170 -0.000 0.000 0.291 603 I C -0.647 175.318 176.117 -0.252 0.000 1.014 603 I CA -0.362 60.830 61.300 -0.180 0.000 1.093 603 I CB 1.748 39.694 38.000 -0.090 0.000 1.267 603 I HN 0.647 nan 8.210 nan 0.000 0.431 604 I N 5.058 125.509 120.570 -0.198 0.000 2.647 604 I HA 0.389 4.559 4.170 -0.000 0.000 0.295 604 I C -0.996 175.096 176.117 -0.042 0.000 1.078 604 I CA -0.442 60.702 61.300 -0.260 0.000 1.048 604 I CB 2.138 39.900 38.000 -0.397 0.000 1.239 604 I HN 0.608 nan 8.210 nan 0.000 0.421 605 H N 5.962 124.946 119.070 -0.144 0.000 2.623 605 H HA 0.434 4.989 4.556 -0.000 0.000 0.299 605 H C -1.023 174.258 175.328 -0.079 0.000 1.052 605 H CA -0.943 55.049 56.048 -0.093 0.000 1.231 605 H CB 1.394 31.104 29.762 -0.087 0.000 1.389 605 H HN 0.192 nan 8.280 nan 0.000 0.469 606 V N 3.814 123.775 119.914 0.079 0.000 2.334 606 V HA 0.628 4.748 4.120 -0.000 0.000 0.281 606 V C 0.642 176.785 176.094 0.082 0.000 1.016 606 V CA -0.129 62.221 62.300 0.082 0.000 0.832 606 V CB 0.841 32.744 31.823 0.134 0.000 0.999 606 V HN 1.123 nan 8.190 nan 0.000 0.439 607 G N 3.886 112.733 108.800 0.079 0.000 2.343 607 G HA2 0.446 4.406 3.960 -0.000 0.000 0.465 607 G HA3 0.446 4.406 3.960 -0.000 0.000 0.465 607 G C -0.374 174.555 174.900 0.048 0.000 1.282 607 G CA -0.265 44.878 45.100 0.072 0.000 0.996 607 G HN 1.198 nan 8.290 nan 0.000 0.521 608 A N 0.428 123.275 122.820 0.045 0.000 2.406 608 A HA 0.742 5.062 4.320 -0.000 0.000 0.243 608 A C -1.787 175.799 177.584 0.005 0.000 1.082 608 A CA -0.323 51.737 52.037 0.039 0.000 0.786 608 A CB -0.347 18.686 19.000 0.056 0.000 1.029 608 A HN 0.627 nan 8.150 nan 0.000 0.495 609 P HA 0.365 nan 4.420 nan 0.000 0.271 609 P C -0.360 176.908 177.300 -0.053 0.000 1.218 609 P CA 0.096 63.174 63.100 -0.036 0.000 0.780 609 P CB 0.916 32.599 31.700 -0.028 0.000 0.901 610 T N -3.024 111.477 114.554 -0.090 0.000 2.909 610 T HA 0.336 4.686 4.350 -0.000 0.000 0.299 610 T C 0.980 175.614 174.700 -0.109 0.000 1.073 610 T CA -0.478 61.563 62.100 -0.097 0.000 0.999 610 T CB 1.217 70.017 68.868 -0.113 0.000 1.098 610 T HN 0.252 nan 8.240 nan 0.000 0.477 611 S N 1.037 116.682 115.700 -0.092 0.000 2.447 611 S HA -0.009 4.461 4.470 -0.000 0.000 0.233 611 S C 2.225 176.769 174.600 -0.094 0.000 1.006 611 S CA 0.502 58.648 58.200 -0.091 0.000 0.957 611 S CB -0.825 62.332 63.200 -0.072 0.000 0.773 611 S HN 1.074 nan 8.310 nan 0.000 0.507 612 A N 1.532 124.298 122.820 -0.090 0.000 2.172 612 A HA 0.248 4.568 4.320 -0.000 0.000 0.216 612 A C 2.071 179.591 177.584 -0.106 0.000 1.154 612 A CA 0.635 52.628 52.037 -0.074 0.000 0.701 612 A CB -0.717 18.245 19.000 -0.064 0.000 0.789 612 A HN 0.538 nan 8.150 nan 0.000 0.465 613 L N -0.325 120.790 121.223 -0.180 0.000 1.976 613 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 613 L C 2.401 179.156 176.870 -0.191 0.000 1.071 613 L CA 1.453 56.109 54.840 -0.306 0.000 0.746 613 L CB -0.664 41.094 42.059 -0.501 0.000 0.890 613 L HN 0.360 nan 8.230 nan 0.000 0.432 614 N N -0.357 118.250 118.700 -0.155 0.000 2.084 614 N HA -0.124 4.616 4.740 -0.000 0.000 0.190 614 N C -0.818 174.787 175.510 0.158 0.000 1.030 614 N CA 1.608 54.616 53.050 -0.071 0.000 0.849 614 N CB -1.620 36.665 38.487 -0.336 0.000 1.012 614 N HN 0.289 nan 8.380 nan 0.000 0.423 615 P HA -0.103 nan 4.420 nan 0.000 0.215 615 P C 1.150 178.528 177.300 0.131 0.000 1.153 615 P CA 1.668 64.854 63.100 0.143 0.000 0.853 615 P CB -0.061 31.693 31.700 0.090 0.000 0.788 616 A N -0.191 122.677 122.820 0.079 0.000 1.908 616 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 616 A C 2.345 179.998 177.584 0.115 0.000 1.181 616 A CA 2.656 54.735 52.037 0.070 0.000 0.627 616 A CB -1.950 17.059 19.000 0.017 0.000 0.818 616 A HN 0.222 nan 8.150 nan 0.000 0.445 617 T N -0.802 113.862 114.554 0.183 0.000 2.821 617 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 617 T C 2.002 176.840 174.700 0.231 0.000 1.046 617 T CA 1.366 63.629 62.100 0.271 0.000 1.139 617 T CB -0.233 68.916 68.868 0.469 0.000 0.871 617 T HN 0.580 nan 8.240 nan 0.000 0.454 618 R N 0.844 121.512 120.500 0.280 0.000 2.088 618 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 618 R C 2.343 178.675 176.300 0.053 0.000 1.136 618 R CA 1.671 57.855 56.100 0.141 0.000 0.926 618 R CB -0.735 29.694 30.300 0.215 0.000 0.837 618 R HN 0.221 nan 8.270 nan 0.000 0.429 619 V N 1.317 121.284 119.914 0.088 0.000 2.324 619 V HA -0.278 3.842 4.120 -0.000 0.000 0.250 619 V C 2.551 178.678 176.094 0.056 0.000 1.060 619 V CA 2.036 64.389 62.300 0.088 0.000 1.042 619 V CB -0.976 30.903 31.823 0.092 0.000 0.650 619 V HN 0.616 nan 8.190 nan 0.000 0.450 620 A N -0.155 122.687 122.820 0.038 0.000 1.902 620 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 620 A C 2.406 179.943 177.584 -0.078 0.000 1.181 620 A CA 2.504 54.542 52.037 0.001 0.000 0.623 620 A CB -0.957 18.061 19.000 0.029 0.000 0.818 620 A HN 0.523 nan 8.150 nan 0.000 0.443 621 T N 0.649 115.139 114.554 -0.107 0.000 2.737 621 T HA -0.071 4.278 4.350 -0.000 0.000 0.265 621 T C 1.834 176.320 174.700 -0.357 0.000 1.038 621 T CA 1.504 63.468 62.100 -0.227 0.000 1.144 621 T CB -0.423 68.290 68.868 -0.259 0.000 0.866 621 T HN 0.380 nan 8.240 nan 0.000 0.434 622 L N 1.451 122.498 121.223 -0.295 0.000 2.017 622 L HA -0.109 4.230 4.340 -0.000 0.000 0.208 622 L C 2.792 179.360 176.870 -0.504 0.000 1.073 622 L CA 1.122 55.754 54.840 -0.346 0.000 0.745 622 L CB -0.781 41.343 42.059 0.109 0.000 0.894 622 L HN 0.286 nan 8.230 nan 0.000 0.432 623 N N 0.224 118.642 118.700 -0.470 0.000 2.069 623 N HA -0.183 4.557 4.740 -0.000 0.000 0.191 623 N C 1.867 177.072 175.510 -0.508 0.000 1.031 623 N CA 2.094 54.679 53.050 -0.776 0.000 0.852 623 N CB 0.061 38.363 38.487 -0.309 0.000 1.018 623 N HN 0.255 nan 8.380 nan 0.000 0.423 624 S N 1.187 116.717 115.700 -0.284 0.000 2.355 624 S HA 0.003 4.473 4.470 -0.000 0.000 0.222 624 S C 2.189 176.667 174.600 -0.203 0.000 1.031 624 S CA 0.644 58.777 58.200 -0.111 0.000 0.993 624 S CB -0.274 62.882 63.200 -0.074 0.000 0.859 624 S HN 0.301 nan 8.310 nan 0.000 0.453 625 L N 1.330 122.301 121.223 -0.421 0.000 2.083 625 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 625 L C 2.792 179.473 176.870 -0.315 0.000 1.083 625 L CA 1.056 55.574 54.840 -0.536 0.000 0.752 625 L CB -0.744 40.641 42.059 -1.124 0.000 0.899 625 L HN 0.335 nan 8.230 nan 0.000 0.433 626 A N 0.387 123.043 122.820 -0.273 0.000 1.978 626 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 626 A C 2.199 179.787 177.584 0.007 0.000 1.170 626 A CA 1.728 53.778 52.037 0.022 0.000 0.636 626 A CB -0.298 18.514 19.000 -0.314 0.000 0.810 626 A HN 0.386 nan 8.150 nan 0.000 0.448 627 K N -1.854 118.451 120.400 -0.158 0.000 2.426 627 K HA 0.283 4.603 4.320 -0.000 0.000 0.193 627 K C 1.050 177.421 176.600 -0.381 0.000 1.028 627 K CA 0.515 56.656 56.287 -0.243 0.000 1.047 627 K CB 0.115 32.402 32.500 -0.355 0.000 0.821 627 K HN 0.651 nan 8.250 nan 0.000 0.513 628 G N 1.510 110.141 108.800 -0.281 0.000 2.157 628 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.239 628 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.239 628 G C -0.239 174.547 174.900 -0.189 0.000 0.982 628 G CA -0.337 44.646 45.100 -0.195 0.000 0.650 628 G HN 0.292 nan 8.290 nan 0.000 0.527 629 H N 0.245 119.281 119.070 -0.057 0.000 2.607 629 H HA 0.476 5.032 4.556 -0.000 0.000 0.367 629 H C 0.945 176.210 175.328 -0.106 0.000 1.181 629 H CA -0.029 55.990 56.048 -0.047 0.000 1.402 629 H CB 0.530 30.266 29.762 -0.044 0.000 1.474 629 H HN 0.295 nan 8.280 nan 0.000 0.596 630 R N 0.905 121.444 120.500 0.067 0.000 2.294 630 R HA 0.375 4.715 4.340 -0.000 0.000 0.319 630 R C -0.793 175.318 176.300 -0.315 0.000 0.984 630 R CA -0.737 55.263 56.100 -0.166 0.000 0.861 630 R CB 1.272 31.529 30.300 -0.072 0.000 1.104 630 R HN 0.214 nan 8.270 nan 0.000 0.451 631 V N 4.866 124.472 119.914 -0.513 0.000 2.370 631 V HA 0.392 4.512 4.120 -0.000 0.000 0.279 631 V C -0.633 175.086 176.094 -0.625 0.000 1.029 631 V CA -0.499 61.550 62.300 -0.417 0.000 0.870 631 V CB 0.715 32.355 31.823 -0.306 0.000 0.984 631 V HN 0.529 nan 8.190 nan 0.000 0.451 632 F N 2.833 122.734 119.950 -0.082 0.000 2.477 632 F HA 0.730 5.257 4.527 -0.000 0.000 0.335 632 F C 0.417 176.094 175.800 -0.205 0.000 1.130 632 F CA -0.657 57.295 58.000 -0.080 0.000 0.948 632 F CB 1.816 40.865 39.000 0.082 0.000 1.154 632 F HN 0.519 nan 8.300 nan 0.000 0.439 633 A N 4.915 127.722 122.820 -0.021 0.000 2.253 633 A HA 0.659 4.979 4.320 -0.000 0.000 0.316 633 A C -0.295 177.197 177.584 -0.153 0.000 1.327 633 A CA -0.569 51.397 52.037 -0.119 0.000 0.917 633 A CB -0.136 18.820 19.000 -0.074 0.000 1.162 633 A HN 0.776 nan 8.150 nan 0.000 0.535 634 I N 3.582 124.003 120.570 -0.248 0.000 2.471 634 I HA 0.050 4.220 4.170 -0.000 0.000 0.294 634 I C 0.755 176.729 176.117 -0.239 0.000 1.123 634 I CA 0.334 61.480 61.300 -0.257 0.000 1.336 634 I CB 0.069 37.879 38.000 -0.316 0.000 1.430 634 I HN 0.591 nan 8.210 nan 0.000 0.533 635 R N 6.469 126.868 120.500 -0.169 0.000 2.389 635 R HA 0.171 4.510 4.340 -0.000 0.000 0.295 635 R C 0.248 176.484 176.300 -0.106 0.000 1.075 635 R CA -0.347 55.675 56.100 -0.130 0.000 1.005 635 R CB 0.256 30.509 30.300 -0.078 0.000 0.987 635 R HN 0.600 nan 8.270 nan 0.000 0.452 636 N N 1.501 120.144 118.700 -0.094 0.000 2.756 636 N HA -0.185 4.555 4.740 -0.000 0.000 0.248 636 N C 0.523 176.001 175.510 -0.054 0.000 1.062 636 N CA 1.120 54.140 53.050 -0.050 0.000 0.696 636 N CB -1.290 37.191 38.487 -0.011 0.000 0.946 636 N HN 1.092 nan 8.380 nan 0.000 0.548 637 G N 0.097 108.829 108.800 -0.113 0.000 2.578 637 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.284 637 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.284 637 G C 0.757 175.533 174.900 -0.206 0.000 1.283 637 G CA 0.528 45.528 45.100 -0.167 0.000 0.944 637 G HN 0.202 nan 8.290 nan 0.000 0.558 638 F N 1.177 121.137 119.950 0.017 0.000 2.259 638 F HA 0.182 4.708 4.527 -0.000 0.000 0.298 638 F C 3.076 178.886 175.800 0.017 0.000 1.088 638 F CA 2.098 60.110 58.000 0.020 0.000 1.358 638 F CB -0.728 38.274 39.000 0.004 0.000 1.040 638 F HN 0.601 nan 8.300 nan 0.000 0.505 639 A N 0.342 123.260 122.820 0.163 0.000 1.908 639 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 639 A C 2.599 180.219 177.584 0.061 0.000 1.181 639 A CA 1.844 53.939 52.037 0.097 0.000 0.627 639 A CB -1.585 17.462 19.000 0.079 0.000 0.818 639 A HN 0.396 nan 8.150 nan 0.000 0.445 640 G N -0.443 108.387 108.800 0.050 0.000 2.418 640 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 640 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 640 G C 1.559 176.457 174.900 -0.003 0.000 1.158 640 G CA 0.947 46.079 45.100 0.054 0.000 0.771 640 G HN 0.401 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 -0.025 4.315 4.340 -0.000 0.000 0.209 641 L C 2.922 179.756 176.870 -0.059 0.000 1.071 641 L CA 1.543 56.324 54.840 -0.099 0.000 0.746 641 L CB -0.442 41.657 42.059 0.066 0.000 0.890 641 L HN 0.235 nan 8.230 nan 0.000 0.432 642 I N -0.146 120.490 120.570 0.111 0.000 2.127 642 I HA -0.353 3.817 4.170 -0.000 0.000 0.241 642 I C 2.733 178.888 176.117 0.064 0.000 1.075 642 I CA 1.612 63.009 61.300 0.161 0.000 1.334 642 I CB -0.298 37.775 38.000 0.121 0.000 1.040 642 I HN 0.243 nan 8.210 nan 0.000 0.405 643 R N -0.810 119.633 120.500 -0.094 0.000 2.119 643 R HA -0.022 4.318 4.340 -0.000 0.000 0.222 643 R C 1.368 177.279 176.300 -0.650 0.000 1.088 643 R CA 0.953 56.827 56.100 -0.375 0.000 0.984 643 R CB -0.047 29.960 30.300 -0.489 0.000 0.884 643 R HN 0.500 nan 8.270 nan 0.000 0.447 644 H N -2.193 116.895 119.070 0.031 0.000 3.540 644 H HA 0.211 4.767 4.556 -0.000 0.000 0.259 644 H C 0.915 176.223 175.328 -0.033 0.000 1.197 644 H CA 0.513 56.572 56.048 0.018 0.000 1.136 644 H CB 1.389 31.154 29.762 0.004 0.000 1.605 644 H HN 0.352 nan 8.280 nan 0.000 0.657 645 G N 1.901 110.600 108.800 -0.168 0.000 2.225 645 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.267 645 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.267 645 G C 0.832 175.568 174.900 -0.274 0.000 1.024 645 G CA 0.385 45.127 45.100 -0.598 0.000 0.784 645 G HN 0.623 nan 8.290 nan 0.000 0.507 646 A N -0.234 122.500 122.820 -0.143 0.000 3.196 646 A HA 0.476 4.796 4.320 -0.000 0.000 0.275 646 A C 0.823 178.327 177.584 -0.134 0.000 2.036 646 A CA 0.814 52.806 52.037 -0.075 0.000 1.503 646 A CB -0.224 18.761 19.000 -0.025 0.000 0.918 646 A HN 1.120 nan 8.150 nan 0.000 0.599 647 V N 2.709 122.529 119.914 -0.157 0.000 2.483 647 V HA 0.530 4.650 4.120 -0.000 0.000 0.295 647 V C 0.469 176.566 176.094 0.005 0.000 1.035 647 V CA -0.737 61.453 62.300 -0.184 0.000 0.896 647 V CB 1.593 33.048 31.823 -0.613 0.000 0.986 647 V HN 0.758 nan 8.190 nan 0.000 0.447 648 R N 3.343 123.872 120.500 0.049 0.000 2.502 648 R HA 0.384 4.724 4.340 -0.000 0.000 0.300 648 R C -0.570 175.793 176.300 0.105 0.000 0.984 648 R CA -0.557 55.596 56.100 0.088 0.000 0.882 648 R CB 1.838 32.163 30.300 0.042 0.000 1.180 648 R HN 0.914 nan 8.270 nan 0.000 0.444 649 E N 4.529 124.799 120.200 0.117 0.000 2.338 649 E HA 0.179 4.529 4.350 -0.000 0.000 0.272 649 E C -0.704 175.810 176.600 -0.144 0.000 1.029 649 E CA -0.268 56.084 56.400 -0.081 0.000 0.872 649 E CB 0.797 30.445 29.700 -0.085 0.000 1.015 649 E HN 0.442 nan 8.360 nan 0.000 0.417 650 L N 4.373 125.443 121.223 -0.255 0.000 2.325 650 L HA 0.481 4.821 4.340 -0.000 0.000 0.278 650 L C 0.194 176.887 176.870 -0.295 0.000 1.023 650 L CA -0.834 53.858 54.840 -0.247 0.000 0.811 650 L CB 1.425 43.325 42.059 -0.266 0.000 1.249 650 L HN 0.558 nan 8.230 nan 0.000 0.431 651 N N 0.576 119.122 118.700 -0.256 0.000 2.509 651 N HA 0.192 4.932 4.740 -0.000 0.000 0.280 651 N C 0.174 175.557 175.510 -0.213 0.000 1.306 651 N CA -0.603 52.305 53.050 -0.238 0.000 0.782 651 N CB 1.508 39.935 38.487 -0.100 0.000 1.493 651 N HN 0.602 nan 8.380 nan 0.000 0.498 652 W N 0.533 121.755 121.300 -0.129 0.000 2.290 652 W HA -0.151 4.508 4.660 -0.000 0.000 0.311 652 W C 2.105 178.541 176.519 -0.139 0.000 1.238 652 W CA 0.454 57.725 57.345 -0.123 0.000 1.255 652 W CB -0.259 29.156 29.460 -0.076 0.000 1.145 652 W HN 0.556 nan 8.180 nan 0.000 0.506 653 I N 0.215 120.851 120.570 0.109 0.000 2.439 653 I HA -0.249 3.921 4.170 -0.000 0.000 0.251 653 I C 1.909 177.981 176.117 -0.074 0.000 1.139 653 I CA 1.718 63.032 61.300 0.024 0.000 1.438 653 I CB -0.469 37.553 38.000 0.038 0.000 1.085 653 I HN -0.071 nan 8.210 nan 0.000 0.427 654 D N -0.239 120.070 120.400 -0.151 0.000 2.178 654 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 654 D C 2.287 178.239 176.300 -0.581 0.000 0.980 654 D CA 1.188 55.040 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 0.245 nan 8.370 nan 0.000 0.472 655 V N 1.449 120.958 119.914 -0.675 0.000 2.720 655 V HA -0.150 3.970 4.120 -0.000 0.000 0.256 655 V C 0.758 176.456 176.094 -0.660 0.000 1.082 655 V CA 0.898 62.630 62.300 -0.947 0.000 1.101 655 V CB -0.349 31.188 31.823 -0.476 0.000 0.693 655 V HN 0.156 nan 8.190 nan 0.000 0.479 656 E N 1.149 121.178 120.200 -0.285 0.000 2.729 656 E HA -0.096 4.254 4.350 -0.000 0.000 0.246 656 E C 0.494 177.184 176.600 0.150 0.000 0.984 656 E CA 0.611 56.995 56.400 -0.026 0.000 0.951 656 E CB 0.050 29.759 29.700 0.014 0.000 0.914 656 E HN 0.414 nan 8.360 nan 0.000 0.509 657 D N 1.806 122.348 120.400 0.237 0.000 2.876 657 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 657 D C 0.474 176.946 176.300 0.286 0.000 1.014 657 D CA 0.712 54.869 54.000 0.262 0.000 1.012 657 D CB -1.119 39.786 40.800 0.174 0.000 1.080 657 D HN 0.620 nan 8.370 nan 0.000 0.438 658 W N 1.330 122.664 121.300 0.056 0.000 2.465 658 W HA -0.053 4.607 4.660 0.000 0.000 0.268 658 W C 2.404 178.924 176.519 0.002 0.000 1.242 658 W CA 1.388 58.745 57.345 0.020 0.000 1.248 658 W CB -1.011 28.474 29.460 0.043 0.000 1.118 658 W HN 0.477 nan 8.180 nan 0.000 0.587 659 H N -1.585 117.603 119.070 0.196 0.000 2.491 659 H HA -0.013 4.543 4.556 -0.000 0.000 0.290 659 H C 1.393 176.754 175.328 0.054 0.000 1.050 659 H CA 1.404 57.513 56.048 0.102 0.000 1.309 659 H CB -0.673 29.130 29.762 0.068 0.000 1.392 659 H HN 0.273 nan 8.280 nan 0.000 0.554 660 N N 1.083 119.451 118.700 -0.554 0.000 2.482 660 N HA -0.043 4.696 4.740 -0.000 0.000 0.179 660 N C 0.192 175.576 175.510 -0.209 0.000 1.039 660 N CA 0.770 53.561 53.050 -0.432 0.000 0.884 660 N CB 0.669 38.830 38.487 -0.545 0.000 1.113 660 N HN 0.433 nan 8.380 nan 0.000 0.440 661 T N -0.351 114.106 114.554 -0.161 0.000 2.916 661 T HA 0.437 4.787 4.350 -0.000 0.000 0.303 661 T C 0.604 175.217 174.700 -0.144 0.000 1.025 661 T CA -0.712 61.303 62.100 -0.141 0.000 1.142 661 T CB 1.601 70.376 68.868 -0.155 0.000 0.947 661 T HN 0.104 nan 8.240 nan 0.000 0.544 662 G N 0.760 109.482 108.800 -0.130 0.000 2.522 662 G HA2 0.635 4.595 3.960 -0.000 0.000 0.304 662 G HA3 0.635 4.595 3.960 -0.000 0.000 0.304 662 G C 0.678 175.494 174.900 -0.139 0.000 1.210 662 G CA -0.267 44.762 45.100 -0.120 0.000 0.960 662 G HN 1.562 nan 8.290 nan 0.000 0.497 663 G N -0.730 107.995 108.800 -0.125 0.000 2.552 663 G HA2 0.065 4.025 3.960 -0.000 0.000 0.265 663 G HA3 0.065 4.025 3.960 -0.000 0.000 0.265 663 G C 0.319 175.121 174.900 -0.163 0.000 1.234 663 G CA 0.537 45.563 45.100 -0.123 0.000 0.944 663 G HN 1.815 nan 8.290 nan 0.000 0.568 664 S N -0.845 114.772 115.700 -0.139 0.000 2.532 664 S HA 0.600 5.070 4.470 -0.000 0.000 0.299 664 S C 0.599 175.081 174.600 -0.197 0.000 1.105 664 S CA 0.071 58.198 58.200 -0.121 0.000 1.018 664 S CB 1.726 64.958 63.200 0.054 0.000 1.021 664 S HN 0.519 nan 8.310 nan 0.000 0.483 665 E N 2.911 122.889 120.200 -0.370 0.000 2.385 665 E HA 0.066 4.416 4.350 -0.000 0.000 0.194 665 E C 1.428 177.916 176.600 -0.188 0.000 1.013 665 E CA 0.662 56.828 56.400 -0.390 0.000 0.866 665 E CB 0.128 29.315 29.700 -0.855 0.000 0.832 665 E HN 0.834 nan 8.360 nan 0.000 0.500 666 I N -3.908 116.561 120.570 -0.168 0.000 4.187 666 I HA 0.407 4.577 4.170 -0.000 0.000 0.326 666 I C 0.758 176.807 176.117 -0.113 0.000 1.302 666 I CA 0.332 61.554 61.300 -0.130 0.000 1.196 666 I CB 0.846 38.723 38.000 -0.205 0.000 1.095 666 I HN -0.077 nan 8.210 nan 0.000 0.411 667 G N 1.200 109.958 108.800 -0.071 0.000 2.907 667 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.686 667 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.686 667 G C -0.517 174.386 174.900 0.005 0.000 1.115 667 G CA -0.191 44.888 45.100 -0.035 0.000 0.760 667 G HN 0.363 nan 8.290 nan 0.000 0.620 668 T N 0.797 115.368 114.554 0.028 0.000 2.848 668 T HA 0.771 5.121 4.350 -0.000 0.000 0.285 668 T C -0.068 174.650 174.700 0.030 0.000 0.995 668 T CA 0.129 62.260 62.100 0.052 0.000 0.970 668 T CB 0.972 69.873 68.868 0.055 0.000 0.976 668 T HN 1.839 nan 8.240 nan 0.000 0.441 669 N N 1.841 120.564 118.700 0.039 0.000 2.591 669 N HA 0.379 5.119 4.740 -0.000 0.000 0.263 669 N C -0.272 175.283 175.510 0.075 0.000 1.308 669 N CA -1.050 52.029 53.050 0.049 0.000 0.837 669 N CB 1.022 39.534 38.487 0.042 0.000 1.548 669 N HN 0.400 nan 8.380 nan 0.000 0.493 670 R N -0.042 120.509 120.500 0.085 0.000 2.325 670 R HA 0.166 4.506 4.340 -0.000 0.000 0.214 670 R C 0.037 176.410 176.300 0.122 0.000 0.961 670 R CA -0.057 56.109 56.100 0.109 0.000 1.086 670 R CB -0.482 29.883 30.300 0.107 0.000 1.037 670 R HN 0.716 nan 8.270 nan 0.000 0.493 671 S N 0.405 116.180 115.700 0.125 0.000 2.568 671 S HA 0.194 4.664 4.470 -0.000 0.000 0.282 671 S C 0.223 174.934 174.600 0.185 0.000 1.338 671 S CA -0.429 57.852 58.200 0.135 0.000 1.045 671 S CB 0.926 64.206 63.200 0.134 0.000 0.873 671 S HN 0.136 nan 8.310 nan 0.000 0.516 672 L N 2.481 123.763 121.223 0.099 0.000 2.330 672 L HA 0.436 4.776 4.340 -0.000 0.000 0.271 672 L C -1.382 175.353 176.870 -0.224 0.000 1.013 672 L CA -2.746 52.086 54.840 -0.015 0.000 0.816 672 L CB 2.044 44.082 42.059 -0.035 0.000 1.287 672 L HN 0.450 nan 8.230 nan 0.000 0.435 673 P HA -0.112 nan 4.420 nan 0.000 0.221 673 P C 1.313 178.383 177.300 -0.383 0.000 1.145 673 P CA 0.962 63.583 63.100 -0.798 0.000 0.795 673 P CB 0.293 31.261 31.700 -1.219 0.000 0.775 674 S N 0.530 116.064 115.700 -0.276 0.000 2.392 674 S HA -0.194 4.276 4.470 -0.000 0.000 0.232 674 S C 1.425 175.969 174.600 -0.094 0.000 1.041 674 S CA 1.877 59.984 58.200 -0.155 0.000 1.026 674 S CB -1.116 62.024 63.200 -0.100 0.000 0.845 674 S HN 0.235 nan 8.310 nan 0.000 0.465 675 D N 0.775 121.131 120.400 -0.073 0.000 2.203 675 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 675 D C 0.518 176.804 176.300 -0.023 0.000 0.997 675 D CA 1.286 55.270 54.000 -0.026 0.000 0.863 675 D CB -0.056 40.747 40.800 0.005 0.000 0.928 675 D HN 0.289 nan 8.370 nan 0.000 0.458 676 D N -1.412 118.962 120.400 -0.043 0.000 2.349 676 D HA 0.006 4.645 4.640 -0.000 0.000 0.224 676 D C 0.802 177.059 176.300 -0.072 0.000 1.323 676 D CA -0.250 53.731 54.000 -0.031 0.000 0.917 676 D CB 0.186 40.988 40.800 0.004 0.000 1.524 676 D HN -0.308 nan 8.370 nan 0.000 0.505 677 M N 0.852 120.380 119.600 -0.120 0.000 2.086 677 M HA -0.004 4.476 4.480 -0.000 0.000 0.261 677 M C 2.117 178.214 176.300 -0.338 0.000 1.067 677 M CA 1.925 57.073 55.300 -0.254 0.000 1.116 677 M CB -1.135 31.297 32.600 -0.279 0.000 1.348 677 M HN 0.509 nan 8.290 nan 0.000 0.407 678 G N -0.404 108.279 108.800 -0.195 0.000 2.513 678 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 678 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 678 G C 1.501 176.382 174.900 -0.032 0.000 1.160 678 G CA 1.884 46.943 45.100 -0.069 0.000 0.767 678 G HN 0.450 nan 8.290 nan 0.000 0.571 679 T N 0.558 115.117 114.554 0.007 0.000 2.777 679 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 679 T C 2.569 177.425 174.700 0.259 0.000 1.040 679 T CA 1.135 63.287 62.100 0.088 0.000 1.141 679 T CB -0.249 68.675 68.868 0.092 0.000 0.868 679 T HN 0.081 nan 8.240 nan 0.000 0.444 680 V N 1.907 121.939 119.914 0.196 0.000 2.287 680 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 680 V C 2.926 179.164 176.094 0.240 0.000 1.053 680 V CA 1.821 64.288 62.300 0.278 0.000 1.027 680 V CB -1.254 30.597 31.823 0.045 0.000 0.646 680 V HN 0.532 nan 8.190 nan 0.000 0.447 681 A N -0.979 121.813 122.820 -0.047 0.000 1.933 681 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 681 A C 2.158 179.685 177.584 -0.096 0.000 1.175 681 A CA 2.096 53.887 52.037 -0.409 0.000 0.628 681 A CB -0.767 17.738 19.000 -0.825 0.000 0.814 681 A HN 0.700 nan 8.150 nan 0.000 0.444 682 Y N -0.998 119.240 120.300 -0.103 0.000 2.145 682 Y HA -0.263 4.287 4.550 0.000 0.000 0.286 682 Y C 2.133 177.986 175.900 -0.078 0.000 1.145 682 Y CA 2.075 60.091 58.100 -0.139 0.000 1.148 682 Y CB -0.515 37.797 38.460 -0.247 0.000 0.981 682 Y HN 0.332 nan 8.280 nan 0.000 0.507 683 Y N -0.911 119.555 120.300 0.277 0.000 2.242 683 Y HA -0.180 4.370 4.550 -0.000 0.000 0.291 683 Y C 2.280 178.310 175.900 0.216 0.000 1.137 683 Y CA 1.713 59.989 58.100 0.293 0.000 1.181 683 Y CB -0.967 37.764 38.460 0.451 0.000 0.989 683 Y HN 0.178 nan 8.280 nan 0.000 0.527 684 F N -0.061 119.998 119.950 0.182 0.000 2.134 684 F HA -0.293 4.234 4.527 -0.000 0.000 0.299 684 F C 2.654 178.342 175.800 -0.186 0.000 1.097 684 F CA 1.477 59.544 58.000 0.112 0.000 1.264 684 F CB -0.270 38.915 39.000 0.309 0.000 1.001 684 F HN 0.070 nan 8.300 nan 0.000 0.479 685 Q N 0.053 119.821 119.800 -0.053 0.000 2.079 685 Q HA -0.219 4.121 4.340 -0.000 0.000 0.200 685 Q C 2.200 177.970 176.000 -0.384 0.000 0.974 685 Q CA 1.272 56.934 55.803 -0.234 0.000 0.840 685 Q CB -0.031 28.557 28.738 -0.250 0.000 0.898 685 Q HN 0.347 nan 8.270 nan 0.000 0.430 686 Q N -0.428 119.102 119.800 -0.451 0.000 2.016 686 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 686 Q C 1.663 177.303 176.000 -0.601 0.000 0.978 686 Q CA 1.504 56.982 55.803 -0.542 0.000 0.833 686 Q CB -0.263 28.126 28.738 -0.581 0.000 0.895 686 Q HN 0.582 nan 8.270 nan 0.000 0.427 687 Y N 0.683 120.588 120.300 -0.659 0.000 2.546 687 Y HA 0.021 4.571 4.550 -0.000 0.000 0.287 687 Y C 0.309 175.633 175.900 -0.959 0.000 1.158 687 Y CA 0.101 57.621 58.100 -0.967 0.000 1.307 687 Y CB 0.118 37.681 38.460 -1.496 0.000 1.036 687 Y HN 0.058 nan 8.280 nan 0.000 0.532 688 K N 0.292 120.342 120.400 -0.584 0.000 3.257 688 K HA -0.211 4.109 4.320 -0.000 0.000 0.270 688 K C -1.150 175.341 176.600 -0.181 0.000 0.984 688 K CA -0.028 56.048 56.287 -0.351 0.000 0.739 688 K CB -1.958 30.360 32.500 -0.304 0.000 1.351 688 K HN 0.104 nan 8.250 nan 0.000 0.463 689 F N 0.955 120.845 119.950 -0.100 0.000 2.495 689 F HA 0.035 4.562 4.527 -0.000 0.000 0.365 689 F C 1.626 177.426 175.800 0.001 0.000 1.090 689 F CA -0.595 57.341 58.000 -0.106 0.000 1.235 689 F CB 0.485 39.291 39.000 -0.323 0.000 1.119 689 F HN 0.123 nan 8.300 nan 0.000 0.562 690 D N 1.429 121.963 120.400 0.225 0.000 2.398 690 D HA 0.233 4.873 4.640 -0.000 0.000 0.210 690 D C 0.851 177.219 176.300 0.114 0.000 1.094 690 D CA 0.345 54.437 54.000 0.153 0.000 0.839 690 D CB 0.992 41.864 40.800 0.119 0.000 0.963 690 D HN 0.636 nan 8.370 nan 0.000 0.506 691 G N 0.795 109.655 108.800 0.099 0.000 2.667 691 G HA2 0.470 4.429 3.960 -0.000 0.000 0.294 691 G HA3 0.470 4.429 3.960 -0.000 0.000 0.294 691 G C -2.294 172.608 174.900 0.004 0.000 1.467 691 G CA -0.633 44.504 45.100 0.061 0.000 0.852 691 G HN 0.036 nan 8.290 nan 0.000 0.521 692 L N 0.803 122.049 121.223 0.038 0.000 2.464 692 L HA 0.800 5.140 4.340 -0.000 0.000 0.266 692 L C -1.300 175.592 176.870 0.036 0.000 0.965 692 L CA -0.726 54.110 54.840 -0.007 0.000 0.833 692 L CB 1.871 43.986 42.059 0.093 0.000 1.296 692 L HN 0.507 nan 8.230 nan 0.000 0.405 693 I N 6.331 126.898 120.570 -0.004 0.000 2.382 693 I HA 0.401 4.571 4.170 -0.000 0.000 0.285 693 I C -0.606 175.526 176.117 0.025 0.000 1.007 693 I CA -0.413 60.904 61.300 0.028 0.000 1.142 693 I CB 1.441 39.460 38.000 0.032 0.000 1.289 693 I HN 0.478 nan 8.210 nan 0.000 0.453 694 I N 7.361 127.961 120.570 0.049 0.000 2.282 694 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 694 I C -0.058 176.094 176.117 0.058 0.000 1.090 694 I CA -0.317 61.018 61.300 0.059 0.000 1.231 694 I CB 0.223 38.280 38.000 0.095 0.000 1.434 694 I HN 0.412 nan 8.210 nan 0.000 0.487 695 I N 5.777 126.393 120.570 0.076 0.000 2.352 695 I HA 0.678 4.848 4.170 -0.000 0.000 0.290 695 I C 0.921 177.040 176.117 0.004 0.000 1.036 695 I CA 0.154 61.470 61.300 0.026 0.000 1.336 695 I CB 0.806 38.798 38.000 -0.013 0.000 1.407 695 I HN 0.764 nan 8.210 nan 0.000 0.497 696 G N 3.659 112.450 108.800 -0.015 0.000 2.344 696 G HA2 0.435 4.394 3.960 -0.000 0.000 0.282 696 G HA3 0.435 4.394 3.960 -0.000 0.000 0.282 696 G C -0.552 174.352 174.900 0.007 0.000 1.281 696 G CA -0.183 44.913 45.100 -0.006 0.000 0.877 696 G HN 0.749 nan 8.290 nan 0.000 0.494 697 G N -1.220 107.606 108.800 0.044 0.000 3.022 697 G HA2 0.450 4.410 3.960 -0.000 0.000 0.157 697 G HA3 0.450 4.410 3.960 -0.000 0.000 0.157 697 G C 0.845 175.836 174.900 0.152 0.000 1.468 697 G CA 0.385 45.530 45.100 0.074 0.000 1.058 697 G HN 0.635 nan 8.290 nan 0.000 0.581 698 F N 0.441 120.440 119.950 0.082 0.000 2.216 698 F HA 0.014 4.541 4.527 -0.000 0.000 0.300 698 F C 2.684 178.636 175.800 0.253 0.000 1.085 698 F CA 1.710 59.814 58.000 0.173 0.000 1.326 698 F CB 0.280 39.351 39.000 0.117 0.000 1.027 698 F HN 0.329 nan 8.300 nan 0.000 0.497 699 E N -0.073 120.297 120.200 0.282 0.000 2.208 699 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 699 E C 2.211 178.894 176.600 0.139 0.000 0.988 699 E CA 0.955 57.478 56.400 0.204 0.000 0.828 699 E CB -0.412 29.403 29.700 0.191 0.000 0.763 699 E HN 0.401 nan 8.360 nan 0.000 0.478 700 A N 0.144 123.044 122.820 0.133 0.000 1.930 700 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 700 A C 2.010 179.652 177.584 0.098 0.000 1.175 700 A CA 0.990 53.098 52.037 0.118 0.000 0.627 700 A CB -0.656 18.400 19.000 0.094 0.000 0.815 700 A HN 0.370 nan 8.150 nan 0.000 0.443 701 F N 1.394 121.290 119.950 -0.091 0.000 2.146 701 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 701 F C 2.339 178.084 175.800 -0.093 0.000 1.096 701 F CA 2.247 60.154 58.000 -0.155 0.000 1.275 701 F CB -0.782 38.002 39.000 -0.360 0.000 1.008 701 F HN 0.178 nan 8.300 nan 0.000 0.480 702 T N 0.934 115.358 114.554 -0.216 0.000 2.708 702 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 702 T C 2.257 176.857 174.700 -0.166 0.000 1.037 702 T CA 1.604 63.614 62.100 -0.151 0.000 1.146 702 T CB -0.942 67.976 68.868 0.083 0.000 0.865 702 T HN 0.384 nan 8.240 nan 0.000 0.435 703 A N 1.572 124.332 122.820 -0.099 0.000 1.883 703 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 703 A C 2.318 179.774 177.584 -0.212 0.000 1.186 703 A CA 1.233 53.178 52.037 -0.154 0.000 0.624 703 A CB -1.002 18.038 19.000 0.066 0.000 0.822 703 A HN 0.453 nan 8.150 nan 0.000 0.444 704 L N -1.679 119.463 121.223 -0.135 0.000 2.013 704 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 704 L C 2.517 179.248 176.870 -0.232 0.000 1.073 704 L CA 2.656 57.415 54.840 -0.135 0.000 0.753 704 L CB -0.626 41.394 42.059 -0.065 0.000 0.890 704 L HN 0.675 nan 8.230 nan 0.000 0.432 705 Y N 0.883 120.902 120.300 -0.469 0.000 2.114 705 Y HA -0.293 4.257 4.550 -0.000 0.000 0.284 705 Y C 2.558 178.129 175.900 -0.548 0.000 1.143 705 Y CA 2.071 59.810 58.100 -0.601 0.000 1.135 705 Y CB -0.122 37.706 38.460 -1.053 0.000 0.980 705 Y HN 0.239 nan 8.280 nan 0.000 0.499 706 E N 0.315 120.140 120.200 -0.626 0.000 2.058 706 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 706 E C 2.199 178.445 176.600 -0.590 0.000 0.997 706 E CA 1.780 57.813 56.400 -0.612 0.000 0.801 706 E CB -0.332 29.107 29.700 -0.436 0.000 0.746 706 E HN 0.530 nan 8.360 nan 0.000 0.450 707 L N 0.645 121.514 121.223 -0.590 0.000 2.056 707 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 707 L C 2.378 178.975 176.870 -0.455 0.000 1.078 707 L CA 1.331 55.745 54.840 -0.710 0.000 0.749 707 L CB -0.361 41.265 42.059 -0.721 0.000 0.901 707 L HN 0.148 nan 8.230 nan 0.000 0.433 708 D N 0.129 120.307 120.400 -0.370 0.000 2.097 708 D HA -0.202 4.438 4.640 -0.000 0.000 0.195 708 D C 2.152 178.282 176.300 -0.282 0.000 0.989 708 D CA 1.420 55.266 54.000 -0.257 0.000 0.827 708 D CB 0.133 40.790 40.800 -0.239 0.000 0.966 708 D HN 0.245 nan 8.370 nan 0.000 0.456 709 A N 0.298 122.829 122.820 -0.482 0.000 1.933 709 A HA 0.082 4.402 4.320 -0.000 0.000 0.218 709 A C 2.311 179.768 177.584 -0.212 0.000 1.175 709 A CA 1.818 53.597 52.037 -0.429 0.000 0.628 709 A CB -0.940 17.645 19.000 -0.692 0.000 0.814 709 A HN 0.341 nan 8.150 nan 0.000 0.444 710 A N -0.453 122.274 122.820 -0.155 0.000 2.172 710 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 710 A C 2.013 179.764 177.584 0.278 0.000 1.154 710 A CA 0.988 53.098 52.037 0.121 0.000 0.701 710 A CB -0.469 18.646 19.000 0.193 0.000 0.789 710 A HN 0.557 nan 8.150 nan 0.000 0.465 711 R N -0.273 120.321 120.500 0.157 0.000 2.154 711 R HA -0.215 4.125 4.340 -0.000 0.000 0.248 711 R C 2.385 178.743 176.300 0.096 0.000 1.155 711 R CA 1.311 57.513 56.100 0.169 0.000 0.979 711 R CB -0.474 29.878 30.300 0.086 0.000 0.869 711 R HN 0.558 nan 8.270 nan 0.000 0.452 712 A N 1.053 123.887 122.820 0.024 0.000 1.835 712 A HA -0.251 4.069 4.320 -0.000 0.000 0.215 712 A C 2.088 179.628 177.584 -0.074 0.000 1.199 712 A CA 1.526 53.542 52.037 -0.035 0.000 0.615 712 A CB -0.538 18.427 19.000 -0.059 0.000 0.838 712 A HN 0.253 nan 8.150 nan 0.000 0.444 713 Q N -1.581 118.139 119.800 -0.133 0.000 2.124 713 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 713 Q C -0.429 175.222 176.000 -0.581 0.000 0.977 713 Q CA 1.225 56.788 55.803 -0.401 0.000 0.850 713 Q CB -0.187 28.212 28.738 -0.566 0.000 0.901 713 Q HN 0.790 nan 8.270 nan 0.000 0.429 714 Y N -0.585 119.712 120.300 -0.005 0.000 2.646 714 Y HA 0.282 4.832 4.550 -0.000 0.000 0.334 714 Y C -1.809 174.030 175.900 -0.102 0.000 1.004 714 Y CA -2.675 55.347 58.100 -0.129 0.000 1.301 714 Y CB 1.206 39.431 38.460 -0.393 0.000 1.093 714 Y HN -0.006 nan 8.280 nan 0.000 0.530 715 P HA -0.260 nan 4.420 nan 0.000 0.218 715 P C 1.670 179.039 177.300 0.115 0.000 1.150 715 P CA 1.415 64.613 63.100 0.164 0.000 0.841 715 P CB 0.571 32.435 31.700 0.273 0.000 0.784 716 I N -1.702 118.862 120.570 -0.010 0.000 2.423 716 I HA -0.200 3.970 4.170 -0.000 0.000 0.254 716 I C 1.676 177.867 176.117 0.122 0.000 1.151 716 I CA 1.273 62.562 61.300 -0.018 0.000 1.421 716 I CB -0.642 37.282 38.000 -0.127 0.000 1.079 716 I HN -0.225 nan 8.210 nan 0.000 0.431 717 F N -0.578 119.466 119.950 0.156 0.000 2.780 717 F HA 0.103 4.630 4.527 -0.000 0.000 0.299 717 F C 1.442 177.313 175.800 0.119 0.000 1.146 717 F CA 0.017 58.087 58.000 0.118 0.000 1.428 717 F CB -1.301 37.703 39.000 0.005 0.000 1.115 717 F HN 0.063 nan 8.300 nan 0.000 0.583 718 N N 1.903 120.769 118.700 0.276 0.000 3.210 718 N HA 0.089 4.829 4.740 -0.000 0.000 0.314 718 N C -0.355 175.264 175.510 0.182 0.000 1.291 718 N CA 0.042 53.211 53.050 0.198 0.000 1.202 718 N CB -0.829 37.764 38.487 0.176 0.000 1.475 718 N HN 0.324 nan 8.380 nan 0.000 0.554 719 I N -2.996 117.695 120.570 0.202 0.000 2.910 719 I HA 0.712 4.882 4.170 -0.000 0.000 0.310 719 I C -2.535 173.655 176.117 0.122 0.000 1.043 719 I CA -2.976 58.428 61.300 0.174 0.000 1.053 719 I CB 1.786 39.926 38.000 0.234 0.000 1.242 719 I HN -0.125 nan 8.210 nan 0.000 0.452 720 P HA 0.357 nan 4.420 nan 0.000 0.271 720 P C -1.158 176.219 177.300 0.128 0.000 1.220 720 P CA 0.124 63.234 63.100 0.016 0.000 0.768 720 P CB 0.600 32.221 31.700 -0.132 0.000 0.848 721 M N 2.936 122.637 119.600 0.168 0.000 2.518 721 M HA 0.539 5.019 4.480 -0.000 0.000 0.300 721 M C -0.674 175.717 176.300 0.151 0.000 1.175 721 M CA -0.514 54.879 55.300 0.155 0.000 0.890 721 M CB 2.232 34.901 32.600 0.116 0.000 1.710 721 M HN 0.471 nan 8.290 nan 0.000 0.453 722 C N -0.413 118.956 119.300 0.114 0.000 2.994 722 C HA 0.846 5.306 4.460 -0.000 0.000 0.305 722 C C -0.794 174.220 174.990 0.040 0.000 1.251 722 C CA -1.334 57.715 59.018 0.052 0.000 1.478 722 C CB 0.982 28.741 27.740 0.031 0.000 1.922 722 C HN 1.098 nan 8.230 nan 0.000 0.472 723 C N 4.407 123.718 119.300 0.018 0.000 2.264 723 C HA 0.721 5.181 4.460 -0.000 0.000 0.324 723 C C -0.284 174.703 174.990 -0.004 0.000 1.267 723 C CA -0.185 58.852 59.018 0.031 0.000 1.618 723 C CB -0.319 27.464 27.740 0.072 0.000 2.278 723 C HN 1.022 nan 8.230 nan 0.000 0.499 724 L N 9.722 130.943 121.223 -0.003 0.000 2.259 724 L HA 0.568 4.908 4.340 -0.000 0.000 0.288 724 L C -2.344 174.502 176.870 -0.041 0.000 1.051 724 L CA -2.444 52.379 54.840 -0.028 0.000 0.824 724 L CB 0.678 42.730 42.059 -0.012 0.000 1.206 724 L HN 0.509 nan 8.230 nan 0.000 0.429 725 P HA 0.281 nan 4.420 nan 0.000 0.270 725 P C -1.277 175.949 177.300 -0.123 0.000 1.242 725 P CA 0.007 63.054 63.100 -0.088 0.000 0.768 725 P CB 0.720 32.348 31.700 -0.119 0.000 0.820 726 A N 2.787 125.538 122.820 -0.114 0.000 2.411 726 A HA 0.703 5.023 4.320 -0.000 0.000 0.285 726 A C -0.484 177.023 177.584 -0.128 0.000 1.129 726 A CA -0.414 51.538 52.037 -0.143 0.000 0.736 726 A CB 1.091 20.011 19.000 -0.133 0.000 1.186 726 A HN 0.421 nan 8.150 nan 0.000 0.445 727 T N 1.123 115.577 114.554 -0.167 0.000 2.977 727 T HA 0.298 4.648 4.350 -0.000 0.000 0.345 727 T C 0.358 174.954 174.700 -0.174 0.000 1.562 727 T CA 0.060 62.079 62.100 -0.135 0.000 1.090 727 T CB 1.216 70.033 68.868 -0.086 0.000 1.383 727 T HN 0.620 nan 8.240 nan 0.000 0.484 728 V N 3.063 122.897 119.914 -0.134 0.000 2.453 728 V HA -0.027 4.093 4.120 -0.000 0.000 0.247 728 V C 2.554 178.576 176.094 -0.120 0.000 1.048 728 V CA 2.503 64.723 62.300 -0.133 0.000 1.049 728 V CB -0.307 31.447 31.823 -0.114 0.000 0.672 728 V HN 0.947 nan 8.190 nan 0.000 0.457 729 S N -0.499 115.136 115.700 -0.109 0.000 2.399 729 S HA -0.179 4.291 4.470 -0.000 0.000 0.231 729 S C 1.168 175.687 174.600 -0.135 0.000 1.022 729 S CA 1.097 59.241 58.200 -0.094 0.000 0.983 729 S CB -0.543 62.612 63.200 -0.075 0.000 0.803 729 S HN 0.782 nan 8.310 nan 0.000 0.480 730 N N 1.144 119.711 118.700 -0.221 0.000 2.754 730 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 730 N C 0.098 175.439 175.510 -0.282 0.000 1.093 730 N CA 0.642 53.471 53.050 -0.369 0.000 0.699 730 N CB -0.995 37.052 38.487 -0.733 0.000 1.016 730 N HN 0.552 nan 8.380 nan 0.000 0.552 731 N N -0.852 117.758 118.700 -0.150 0.000 2.268 731 N HA 0.047 4.787 4.740 -0.000 0.000 0.204 731 N C -0.430 175.092 175.510 0.020 0.000 1.124 731 N CA 0.083 53.094 53.050 -0.065 0.000 0.838 731 N CB 0.351 38.815 38.487 -0.039 0.000 0.994 731 N HN 0.082 nan 8.380 nan 0.000 0.489 732 V N 2.292 122.164 119.914 -0.071 0.000 2.432 732 V HA 0.338 4.458 4.120 -0.000 0.000 0.275 732 V C -2.028 173.888 176.094 -0.296 0.000 1.043 732 V CA -1.468 60.731 62.300 -0.170 0.000 0.925 732 V CB 0.984 32.707 31.823 -0.168 0.000 0.985 732 V HN 0.088 nan 8.190 nan 0.000 0.466 733 P HA 0.344 nan 4.420 nan 0.000 0.272 733 P C 0.917 178.023 177.300 -0.323 0.000 1.223 733 P CA 0.780 63.630 63.100 -0.417 0.000 0.784 733 P CB 0.743 32.096 31.700 -0.577 0.000 0.923 734 G N -0.774 107.923 108.800 -0.171 0.000 2.175 734 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.244 734 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.244 734 G C 0.221 175.060 174.900 -0.102 0.000 0.982 734 G CA 0.283 45.320 45.100 -0.105 0.000 0.641 734 G HN 0.890 nan 8.290 nan 0.000 0.527 735 T N -1.349 113.137 114.554 -0.114 0.000 2.868 735 T HA 0.580 4.930 4.350 -0.000 0.000 0.306 735 T C 0.484 175.132 174.700 -0.087 0.000 1.224 735 T CA 0.217 62.260 62.100 -0.094 0.000 1.012 735 T CB 1.689 70.493 68.868 -0.107 0.000 1.221 735 T HN 0.079 nan 8.240 nan 0.000 0.499 736 E N 0.923 121.097 120.200 -0.043 0.000 2.415 736 E HA 0.174 4.524 4.350 -0.000 0.000 0.197 736 E C -0.824 175.765 176.600 -0.019 0.000 1.007 736 E CA 0.037 56.418 56.400 -0.032 0.000 0.890 736 E CB 0.684 30.395 29.700 0.019 0.000 0.891 736 E HN 0.509 nan 8.360 nan 0.000 0.496 737 Y N 0.833 121.042 120.300 -0.152 0.000 2.386 737 Y HA 0.227 4.777 4.550 -0.000 0.000 0.334 737 Y C -1.065 174.744 175.900 -0.152 0.000 1.002 737 Y CA -1.070 56.932 58.100 -0.162 0.000 1.068 737 Y CB 1.517 39.904 38.460 -0.123 0.000 1.203 737 Y HN -0.179 nan 8.280 nan 0.000 0.443 738 S N 6.138 121.326 115.700 -0.853 0.000 2.454 738 S HA 0.583 5.053 4.470 -0.000 0.000 0.306 738 S C -0.876 173.186 174.600 -0.897 0.000 1.100 738 S CA -0.918 56.900 58.200 -0.636 0.000 1.087 738 S CB 1.159 64.106 63.200 -0.421 0.000 1.019 738 S HN 0.726 nan 8.310 nan 0.000 0.480 739 L N 3.020 123.972 121.223 -0.451 0.000 2.525 739 L HA 0.386 4.726 4.340 -0.000 0.000 0.278 739 L C 1.608 178.336 176.870 -0.238 0.000 1.218 739 L CA 1.083 55.779 54.840 -0.241 0.000 0.878 739 L CB -0.115 41.890 42.059 -0.090 0.000 1.127 739 L HN 1.235 nan 8.230 nan 0.000 0.492 740 G N 1.184 109.895 108.800 -0.148 0.000 2.234 740 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.235 740 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.235 740 G C 1.095 175.913 174.900 -0.136 0.000 0.997 740 G CA 0.620 45.647 45.100 -0.123 0.000 0.623 740 G HN 0.736 nan 8.290 nan 0.000 0.514 741 S N 0.350 115.912 115.700 -0.230 0.000 2.383 741 S HA -0.031 4.439 4.470 -0.000 0.000 0.227 741 S C 1.686 176.241 174.600 -0.076 0.000 1.026 741 S CA 1.943 60.035 58.200 -0.179 0.000 0.981 741 S CB -0.176 62.861 63.200 -0.270 0.000 0.818 741 S HN 0.440 nan 8.310 nan 0.000 0.472 742 D N 0.981 121.417 120.400 0.060 0.000 2.144 742 D HA -0.053 4.587 4.640 -0.000 0.000 0.200 742 D C 1.900 178.178 176.300 -0.037 0.000 0.978 742 D CA 1.682 55.688 54.000 0.010 0.000 0.833 742 D CB -0.406 40.420 40.800 0.044 0.000 0.961 742 D HN 0.457 nan 8.370 nan 0.000 0.470 743 T N -0.822 113.719 114.554 -0.021 0.000 2.684 743 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 743 T C 2.152 176.819 174.700 -0.055 0.000 1.036 743 T CA 1.295 63.375 62.100 -0.033 0.000 1.148 743 T CB -0.823 68.023 68.868 -0.036 0.000 0.863 743 T HN 0.374 nan 8.240 nan 0.000 0.436 744 C N 1.390 120.643 119.300 -0.079 0.000 2.413 744 C HA -0.028 4.432 4.460 -0.000 0.000 0.276 744 C C 2.528 177.453 174.990 -0.108 0.000 1.236 744 C CA 0.430 59.390 59.018 -0.097 0.000 1.735 744 C CB -1.483 26.189 27.740 -0.115 0.000 2.031 744 C HN 0.362 nan 8.230 nan 0.000 0.474 745 L N 1.690 122.824 121.223 -0.149 0.000 2.083 745 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 745 L C 2.390 179.209 176.870 -0.085 0.000 1.083 745 L CA 1.768 56.500 54.840 -0.179 0.000 0.752 745 L CB -1.746 40.084 42.059 -0.381 0.000 0.899 745 L HN 0.504 nan 8.230 nan 0.000 0.433 746 N N -0.811 117.856 118.700 -0.055 0.000 2.142 746 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 746 N C 1.680 177.192 175.510 0.003 0.000 1.023 746 N CA 1.770 54.815 53.050 -0.008 0.000 0.852 746 N CB -0.061 38.428 38.487 0.004 0.000 0.998 746 N HN 0.336 nan 8.380 nan 0.000 0.424 747 T N 2.109 116.657 114.554 -0.010 0.000 2.746 747 T HA 0.001 4.351 4.350 -0.000 0.000 0.267 747 T C 2.187 176.908 174.700 0.035 0.000 1.039 747 T CA 0.648 62.754 62.100 0.010 0.000 1.142 747 T CB -0.116 68.743 68.868 -0.016 0.000 0.866 747 T HN 0.132 nan 8.240 nan 0.000 0.444 748 L N 1.261 122.478 121.223 -0.009 0.000 2.044 748 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 748 L C 2.956 179.863 176.870 0.063 0.000 1.075 748 L CA 1.331 56.171 54.840 -0.001 0.000 0.747 748 L CB -0.753 41.269 42.059 -0.061 0.000 0.903 748 L HN 0.335 nan 8.230 nan 0.000 0.435 749 S N 0.189 115.912 115.700 0.038 0.000 2.359 749 S HA -0.165 4.305 4.470 -0.000 0.000 0.224 749 S C 2.094 176.726 174.600 0.053 0.000 1.035 749 S CA 1.152 59.380 58.200 0.046 0.000 1.018 749 S CB -1.355 61.868 63.200 0.040 0.000 0.876 749 S HN 0.483 nan 8.310 nan 0.000 0.448 750 G N 0.340 109.174 108.800 0.057 0.000 2.421 750 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 750 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 750 G C 1.278 176.211 174.900 0.054 0.000 1.171 750 G CA 0.911 46.038 45.100 0.045 0.000 0.775 750 G HN 0.539 nan 8.290 nan 0.000 0.543 751 Y N 0.940 121.220 120.300 -0.033 0.000 2.128 751 Y HA -0.210 4.340 4.550 -0.000 0.000 0.284 751 Y C 2.873 178.734 175.900 -0.065 0.000 1.154 751 Y CA 1.590 59.664 58.100 -0.044 0.000 1.149 751 Y CB -0.460 37.978 38.460 -0.036 0.000 0.976 751 Y HN 0.249 nan 8.280 nan 0.000 0.505 752 C N 0.434 119.841 119.300 0.178 0.000 2.432 752 C HA -0.122 4.338 4.460 -0.000 0.000 0.282 752 C C 2.199 177.167 174.990 -0.037 0.000 1.388 752 C CA 0.896 59.955 59.018 0.068 0.000 1.777 752 C CB -1.029 26.764 27.740 0.089 0.000 1.882 752 C HN 0.574 nan 8.230 nan 0.000 0.520 753 D N 1.338 121.717 120.400 -0.035 0.000 2.144 753 D HA -0.048 4.592 4.640 -0.000 0.000 0.200 753 D C 2.274 178.516 176.300 -0.098 0.000 0.978 753 D CA 1.587 55.556 54.000 -0.051 0.000 0.833 753 D CB -0.404 40.378 40.800 -0.030 0.000 0.961 753 D HN 0.500 nan 8.370 nan 0.000 0.470 754 A N 0.378 123.108 122.820 -0.151 0.000 1.968 754 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 754 A C 2.435 179.849 177.584 -0.283 0.000 1.169 754 A CA 0.673 52.586 52.037 -0.208 0.000 0.638 754 A CB -0.466 18.372 19.000 -0.271 0.000 0.812 754 A HN 0.116 nan 8.150 nan 0.000 0.446 755 V N 0.325 120.028 119.914 -0.352 0.000 2.244 755 V HA -0.255 3.865 4.120 -0.000 0.000 0.244 755 V C 2.411 178.246 176.094 -0.433 0.000 1.042 755 V CA 2.304 64.274 62.300 -0.551 0.000 1.006 755 V CB -0.620 30.915 31.823 -0.480 0.000 0.641 755 V HN 0.523 nan 8.190 nan 0.000 0.446 756 K N 0.132 120.412 120.400 -0.199 0.000 2.209 756 K HA -0.264 4.056 4.320 -0.000 0.000 0.204 756 K C 2.207 178.780 176.600 -0.045 0.000 1.048 756 K CA 1.750 57.996 56.287 -0.068 0.000 0.940 756 K CB -0.158 32.328 32.500 -0.024 0.000 0.729 756 K HN 0.693 nan 8.250 nan 0.000 0.451 757 Q N 0.711 120.464 119.800 -0.078 0.000 2.123 757 Q HA -0.092 4.248 4.340 -0.000 0.000 0.199 757 Q C 1.710 177.691 176.000 -0.031 0.000 0.966 757 Q CA 2.109 57.883 55.803 -0.047 0.000 0.845 757 Q CB -0.277 28.429 28.738 -0.054 0.000 0.907 757 Q HN 0.153 nan 8.270 nan 0.000 0.439 758 S N -0.561 115.095 115.700 -0.072 0.000 2.522 758 S HA 0.260 4.730 4.470 -0.000 0.000 0.227 758 S C 1.609 176.275 174.600 0.110 0.000 0.986 758 S CA 0.177 58.367 58.200 -0.016 0.000 0.929 758 S CB 0.001 63.155 63.200 -0.076 0.000 0.769 758 S HN 0.518 nan 8.310 nan 0.000 0.529 759 A N 0.770 123.666 122.820 0.126 0.000 2.415 759 A HA 0.621 4.941 4.320 -0.000 0.000 0.248 759 A C 0.739 178.434 177.584 0.184 0.000 1.299 759 A CA -0.461 51.748 52.037 0.286 0.000 0.899 759 A CB -0.081 19.136 19.000 0.360 0.000 0.997 759 A HN 0.392 nan 8.150 nan 0.000 0.506 763 R N 1.745 122.278 120.500 0.055 0.000 1.904 763 R HA 0.715 5.055 4.340 -0.000 0.000 0.178 763 R C 0.770 177.103 176.300 0.056 0.000 1.718 763 R CA 1.525 57.662 56.100 0.062 0.000 1.331 763 R CB -0.095 30.255 30.300 0.084 0.000 1.089 763 R HN 0.603 nan 8.270 nan 0.000 0.479 764 R N 0.067 120.624 120.500 0.095 0.000 2.774 764 R HA 0.597 4.937 4.340 -0.000 0.000 0.272 764 R C 0.002 176.375 176.300 0.123 0.000 1.000 764 R CA -0.153 55.974 56.100 0.046 0.000 0.906 764 R CB 0.673 30.960 30.300 -0.022 0.000 1.227 764 R HN 0.380 nan 8.270 nan 0.000 0.468 765 R N -0.588 119.945 120.500 0.054 0.000 2.196 765 R HA 0.238 4.578 4.340 -0.000 0.000 0.186 765 R C -0.050 176.376 176.300 0.209 0.000 1.163 765 R CA 0.980 57.186 56.100 0.175 0.000 1.146 765 R CB 0.984 31.356 30.300 0.119 0.000 1.113 765 R HN 0.647 nan 8.270 nan 0.000 0.513 766 T N 0.889 115.434 114.554 -0.015 0.000 2.867 766 T HA 0.481 4.831 4.350 -0.000 0.000 0.282 766 T C -0.921 173.688 174.700 -0.152 0.000 1.000 766 T CA -0.185 61.912 62.100 -0.005 0.000 1.042 766 T CB 1.301 70.036 68.868 -0.222 0.000 0.973 766 T HN -0.078 nan 8.240 nan 0.000 0.465 767 F N 1.172 121.161 119.950 0.065 0.000 2.529 767 F HA 0.497 5.024 4.527 0.000 0.000 0.320 767 F C -0.270 175.588 175.800 0.097 0.000 1.118 767 F CA -1.030 57.011 58.000 0.068 0.000 0.915 767 F CB 1.852 40.911 39.000 0.099 0.000 1.161 767 F HN 0.203 nan 8.300 nan 0.000 0.445 768 V N 4.910 124.941 119.914 0.194 0.000 2.277 768 V HA 0.264 4.384 4.120 -0.000 0.000 0.269 768 V C -0.291 175.936 176.094 0.221 0.000 1.036 768 V CA -0.736 61.673 62.300 0.183 0.000 0.821 768 V CB 0.760 32.593 31.823 0.018 0.000 1.052 768 V HN 0.462 nan 8.190 nan 0.000 0.462 769 V N 4.438 124.509 119.914 0.262 0.000 2.432 769 V HA 0.223 4.343 4.120 -0.000 0.000 0.271 769 V C 0.541 176.726 176.094 0.150 0.000 1.046 769 V CA -0.262 62.158 62.300 0.200 0.000 0.945 769 V CB 1.365 33.303 31.823 0.190 0.000 0.992 769 V HN 0.913 nan 8.190 nan 0.000 0.471 770 E N 4.501 124.752 120.200 0.085 0.000 2.130 770 E HA 0.368 4.718 4.350 -0.000 0.000 0.284 770 E C -1.180 175.416 176.600 -0.007 0.000 1.018 770 E CA -0.416 56.025 56.400 0.070 0.000 0.817 770 E CB 1.530 31.251 29.700 0.035 0.000 1.078 770 E HN 0.482 nan 8.360 nan 0.000 0.396 771 V N 5.409 125.326 119.914 0.006 0.000 2.407 771 V HA 0.108 4.228 4.120 -0.000 0.000 0.278 771 V C -0.111 175.940 176.094 -0.072 0.000 1.037 771 V CA -0.392 61.874 62.300 -0.056 0.000 0.900 771 V CB 1.492 33.287 31.823 -0.047 0.000 0.983 771 V HN 0.730 nan 8.190 nan 0.000 0.459 772 Q N 3.646 123.376 119.800 -0.116 0.000 2.673 772 Q HA 0.383 4.723 4.340 -0.000 0.000 0.224 772 Q C 0.818 176.741 176.000 -0.128 0.000 1.226 772 Q CA -0.106 55.619 55.803 -0.131 0.000 1.019 772 Q CB 1.042 29.671 28.738 -0.183 0.000 1.312 772 Q HN 0.930 nan 8.270 nan 0.000 0.566 773 G N 1.067 109.801 108.800 -0.110 0.000 4.044 773 G HA2 0.450 4.410 3.960 -0.000 0.000 0.297 773 G HA3 0.450 4.410 3.960 -0.000 0.000 0.297 773 G C 0.649 175.497 174.900 -0.088 0.000 1.101 773 G CA 0.146 45.187 45.100 -0.099 0.000 0.884 773 G HN 0.781 nan 8.290 nan 0.000 0.538 774 G N 0.365 109.105 108.800 -0.100 0.000 2.527 774 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.268 774 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.268 774 G C 0.448 175.265 174.900 -0.140 0.000 1.175 774 G CA 0.341 45.389 45.100 -0.086 0.000 0.962 774 G HN 0.303 nan 8.290 nan 0.000 0.560 775 Y N 1.499 121.773 120.300 -0.043 0.000 2.485 775 Y HA 0.582 5.132 4.550 -0.000 0.000 0.260 775 Y C 1.661 177.566 175.900 0.009 0.000 1.173 775 Y CA 0.782 58.873 58.100 -0.014 0.000 1.252 775 Y CB 0.707 39.161 38.460 -0.009 0.000 1.123 775 Y HN 0.548 nan 8.280 nan 0.000 0.524 776 S N -0.641 115.124 115.700 0.109 0.000 2.475 776 S HA 0.481 4.951 4.470 -0.000 0.000 0.298 776 S C 1.161 175.779 174.600 0.030 0.000 1.119 776 S CA -0.315 57.954 58.200 0.114 0.000 1.085 776 S CB 1.217 64.425 63.200 0.012 0.000 1.028 776 S HN 0.420 nan 8.310 nan 0.000 0.489 777 G N 2.794 111.703 108.800 0.181 0.000 2.920 777 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.208 777 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.208 777 G C 0.767 175.486 174.900 -0.302 0.000 1.159 777 G CA 0.100 45.263 45.100 0.105 0.000 0.784 777 G HN 0.856 nan 8.290 nan 0.000 0.535 778 Y N 0.779 120.418 120.300 -1.101 0.000 2.053 778 Y HA -0.181 4.369 4.550 -0.000 0.000 0.277 778 Y C 2.396 177.976 175.900 -0.533 0.000 1.159 778 Y CA 1.584 58.892 58.100 -1.321 0.000 1.125 778 Y CB -0.216 37.536 38.460 -1.179 0.000 0.969 778 Y HN 0.116 nan 8.280 nan 0.000 0.492 779 L N -0.130 120.903 121.223 -0.318 0.000 1.971 779 L HA -0.319 4.021 4.340 -0.000 0.000 0.215 779 L C 2.722 179.448 176.870 -0.240 0.000 1.072 779 L CA 1.848 56.529 54.840 -0.266 0.000 0.758 779 L CB -1.122 40.859 42.059 -0.130 0.000 0.889 779 L HN 0.510 nan 8.230 nan 0.000 0.433 780 A N -0.981 121.738 122.820 -0.169 0.000 1.883 780 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 780 A C 2.398 179.925 177.584 -0.095 0.000 1.186 780 A CA 2.276 54.255 52.037 -0.097 0.000 0.624 780 A CB -0.756 18.212 19.000 -0.053 0.000 0.822 780 A HN 0.522 nan 8.150 nan 0.000 0.444 781 S N -1.708 113.914 115.700 -0.131 0.000 2.348 781 S HA -0.169 4.301 4.470 -0.000 0.000 0.221 781 S C 1.889 176.419 174.600 -0.118 0.000 1.033 781 S CA 1.538 59.689 58.200 -0.081 0.000 1.010 781 S CB -0.618 62.591 63.200 0.014 0.000 0.891 781 S HN 0.623 nan 8.310 nan 0.000 0.442 782 Y N 2.372 122.438 120.300 -0.391 0.000 2.097 782 Y HA -0.218 4.331 4.550 -0.000 0.000 0.282 782 Y C 2.607 178.384 175.900 -0.205 0.000 1.152 782 Y CA 0.971 58.852 58.100 -0.366 0.000 1.136 782 Y CB -1.101 36.970 38.460 -0.648 0.000 0.975 782 Y HN 0.217 nan 8.280 nan 0.000 0.498 783 A N -0.189 122.664 122.820 0.054 0.000 1.917 783 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 783 A C 2.562 180.160 177.584 0.023 0.000 1.182 783 A CA 2.041 54.095 52.037 0.029 0.000 0.633 783 A CB -1.713 17.269 19.000 -0.031 0.000 0.819 783 A HN 0.591 nan 8.150 nan 0.000 0.448 784 G N -0.181 108.614 108.800 -0.009 0.000 2.459 784 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 784 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 784 G C 1.560 176.440 174.900 -0.034 0.000 1.183 784 G CA 1.241 46.325 45.100 -0.026 0.000 0.776 784 G HN 0.584 nan 8.290 nan 0.000 0.552 785 L N 1.305 122.501 121.223 -0.045 0.000 1.989 785 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 785 L C 2.727 179.578 176.870 -0.032 0.000 1.071 785 L CA 2.226 57.030 54.840 -0.061 0.000 0.749 785 L CB -0.363 41.639 42.059 -0.095 0.000 0.890 785 L HN 0.473 nan 8.230 nan 0.000 0.431 786 I N -3.153 117.435 120.570 0.029 0.000 3.001 786 I HA -0.078 4.092 4.170 -0.000 0.000 0.268 786 I C 1.720 177.851 176.117 0.024 0.000 1.267 786 I CA 1.374 62.709 61.300 0.057 0.000 1.472 786 I CB -0.831 37.267 38.000 0.163 0.000 1.089 786 I HN 0.437 nan 8.210 nan 0.000 0.468 787 T N -2.792 111.770 114.554 0.012 0.000 3.023 787 T HA 0.410 4.760 4.350 -0.000 0.000 0.253 787 T C 1.462 176.153 174.700 -0.015 0.000 1.038 787 T CA 0.275 62.379 62.100 0.007 0.000 0.962 787 T CB 0.159 69.043 68.868 0.028 0.000 1.018 787 T HN 0.688 nan 8.240 nan 0.000 0.521 788 G N 1.774 110.551 108.800 -0.039 0.000 2.272 788 G HA2 0.029 3.989 3.960 -0.000 0.000 0.280 788 G HA3 0.029 3.989 3.960 -0.000 0.000 0.280 788 G C 0.224 175.095 174.900 -0.049 0.000 1.067 788 G CA -0.136 44.926 45.100 -0.064 0.000 0.902 788 G HN 1.186 nan 8.290 nan 0.000 0.500 789 A N -0.584 122.209 122.820 -0.045 0.000 2.425 789 A HA 0.702 5.022 4.320 -0.000 0.000 0.249 789 A C 1.543 179.045 177.584 -0.136 0.000 1.084 789 A CA 0.337 52.343 52.037 -0.053 0.000 0.781 789 A CB 0.429 19.407 19.000 -0.038 0.000 1.019 789 A HN 0.707 nan 8.150 nan 0.000 0.490 790 L N 1.352 122.445 121.223 -0.216 0.000 1.973 790 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 790 L C 1.514 178.098 176.870 -0.476 0.000 1.073 790 L CA 1.681 56.322 54.840 -0.332 0.000 0.746 790 L CB -0.295 41.514 42.059 -0.417 0.000 0.891 790 L HN 0.815 nan 8.230 nan 0.000 0.433 791 A N -0.981 121.346 122.820 -0.821 0.000 2.355 791 A HA 0.630 4.950 4.320 -0.000 0.000 0.324 791 A C -1.137 176.151 177.584 -0.492 0.000 1.117 791 A CA -0.348 51.263 52.037 -0.710 0.000 0.785 791 A CB 1.811 20.266 19.000 -0.908 0.000 1.254 791 A HN -0.063 nan 8.150 nan 0.000 0.453 792 V N 2.219 121.867 119.914 -0.444 0.000 2.443 792 V HA 0.317 4.437 4.120 -0.000 0.000 0.293 792 V C -1.511 174.370 176.094 -0.356 0.000 1.021 792 V CA -0.341 61.805 62.300 -0.257 0.000 0.848 792 V CB 1.014 32.757 31.823 -0.133 0.000 0.998 792 V HN 0.763 nan 8.190 nan 0.000 0.424 793 Y N 3.134 123.402 120.300 -0.054 0.000 2.341 793 Y HA 0.608 5.158 4.550 0.000 0.000 0.340 793 Y C 0.915 176.704 175.900 -0.184 0.000 0.997 793 Y CA -0.419 57.593 58.100 -0.147 0.000 1.149 793 Y CB 1.678 39.958 38.460 -0.300 0.000 1.171 793 Y HN 0.722 nan 8.280 nan 0.000 0.494 794 T N 0.444 115.003 114.554 0.009 0.000 2.903 794 T HA 0.342 4.692 4.350 -0.000 0.000 0.299 794 T C -2.360 172.367 174.700 0.045 0.000 1.093 794 T CA -2.443 59.672 62.100 0.025 0.000 1.002 794 T CB 2.398 71.318 68.868 0.087 0.000 1.127 794 T HN 0.220 nan 8.240 nan 0.000 0.488 795 P HA -0.025 nan 4.420 nan 0.000 0.220 795 P C 0.867 178.205 177.300 0.062 0.000 1.148 795 P CA 1.033 64.174 63.100 0.067 0.000 0.803 795 P CB 0.211 31.969 31.700 0.097 0.000 0.782 796 E N -0.027 120.225 120.200 0.086 0.000 2.150 796 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 796 E C 0.198 176.815 176.600 0.029 0.000 0.985 796 E CA 0.867 57.303 56.400 0.060 0.000 0.814 796 E CB -0.624 29.135 29.700 0.098 0.000 0.752 796 E HN 0.417 nan 8.360 nan 0.000 0.466 797 N N 0.695 119.414 118.700 0.032 0.000 2.392 797 N HA 0.289 5.029 4.740 -0.000 0.000 0.283 797 N C -2.744 172.780 175.510 0.023 0.000 1.003 797 N CA -1.640 51.416 53.050 0.009 0.000 0.892 797 N CB 1.563 40.043 38.487 -0.013 0.000 1.193 797 N HN -0.178 nan 8.380 nan 0.000 0.487 798 P HA 0.149 nan 4.420 nan 0.000 0.268 798 P C -0.717 176.602 177.300 0.032 0.000 1.205 798 P CA 0.121 63.241 63.100 0.033 0.000 0.771 798 P CB 0.599 32.312 31.700 0.021 0.000 0.858 799 I N 2.995 123.596 120.570 0.052 0.000 2.389 799 I HA 0.439 4.609 4.170 -0.000 0.000 0.288 799 I C 0.354 176.362 176.117 -0.182 0.000 0.999 799 I CA -0.331 60.955 61.300 -0.024 0.000 1.129 799 I CB 1.331 39.382 38.000 0.085 0.000 1.288 799 I HN 0.462 nan 8.210 nan 0.000 0.444 800 N N 4.543 123.036 118.700 -0.344 0.000 3.039 800 N HA 0.424 5.164 4.740 -0.000 0.000 0.257 800 N C 0.064 175.395 175.510 -0.299 0.000 1.497 800 N CA -0.998 51.877 53.050 -0.292 0.000 0.861 800 N CB 0.957 39.431 38.487 -0.021 0.000 1.479 800 N HN 0.337 nan 8.380 nan 0.000 0.547 801 L N -1.237 119.947 121.223 -0.064 0.000 2.081 801 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 801 L C 2.413 179.276 176.870 -0.010 0.000 1.080 801 L CA 1.698 56.540 54.840 0.004 0.000 0.754 801 L CB -0.492 41.614 42.059 0.078 0.000 0.893 801 L HN 0.735 nan 8.230 nan 0.000 0.433 802 Q N 0.150 119.942 119.800 -0.012 0.000 2.049 802 Q HA -0.164 4.176 4.340 -0.000 0.000 0.198 802 Q C 2.249 178.242 176.000 -0.012 0.000 0.971 802 Q CA 2.590 58.390 55.803 -0.005 0.000 0.833 802 Q CB -0.441 28.296 28.738 -0.000 0.000 0.896 802 Q HN 0.555 nan 8.270 nan 0.000 0.434 803 T N -2.106 112.427 114.554 -0.035 0.000 2.684 803 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 803 T C 1.866 176.574 174.700 0.013 0.000 1.036 803 T CA 1.673 63.759 62.100 -0.024 0.000 1.148 803 T CB -0.936 67.912 68.868 -0.034 0.000 0.863 803 T HN 0.076 nan 8.240 nan 0.000 0.436 804 V N 1.943 121.847 119.914 -0.016 0.000 2.287 804 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 804 V C 3.029 179.173 176.094 0.083 0.000 1.053 804 V CA 2.221 64.549 62.300 0.047 0.000 1.027 804 V CB -0.957 30.834 31.823 -0.053 0.000 0.646 804 V HN 0.543 nan 8.190 nan 0.000 0.447 805 Q N -0.524 119.305 119.800 0.049 0.000 2.096 805 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 805 Q C 2.326 178.365 176.000 0.066 0.000 0.982 805 Q CA 2.025 57.863 55.803 0.059 0.000 0.850 805 Q CB -0.155 28.607 28.738 0.040 0.000 0.901 805 Q HN 0.707 nan 8.270 nan 0.000 0.422 806 E N 0.349 120.578 120.200 0.049 0.000 2.051 806 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 806 E C 1.693 178.329 176.600 0.060 0.000 0.991 806 E CA 1.185 57.608 56.400 0.038 0.000 0.799 806 E CB 0.032 29.738 29.700 0.010 0.000 0.748 806 E HN 0.356 nan 8.360 nan 0.000 0.449 807 D N 0.824 121.281 120.400 0.095 0.000 2.104 807 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 807 D C 2.005 178.451 176.300 0.244 0.000 0.994 807 D CA 0.919 55.018 54.000 0.166 0.000 0.830 807 D CB -0.151 40.846 40.800 0.328 0.000 0.959 807 D HN 0.144 nan 8.370 nan 0.000 0.452 808 I N 1.313 122.010 120.570 0.211 0.000 2.163 808 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 808 I C 2.472 178.695 176.117 0.176 0.000 1.085 808 I CA 1.004 62.421 61.300 0.195 0.000 1.347 808 I CB -1.096 37.001 38.000 0.162 0.000 1.044 808 I HN 0.134 nan 8.210 nan 0.000 0.408 809 E N 0.964 121.241 120.200 0.128 0.000 2.085 809 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 809 E C 2.302 178.960 176.600 0.097 0.000 0.994 809 E CA 1.313 57.773 56.400 0.100 0.000 0.801 809 E CB -0.058 29.679 29.700 0.062 0.000 0.743 809 E HN 0.282 nan 8.360 nan 0.000 0.453 810 L N 0.917 122.190 121.223 0.082 0.000 1.994 810 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 810 L C 2.381 179.314 176.870 0.105 0.000 1.071 810 L CA 1.613 56.487 54.840 0.057 0.000 0.745 810 L CB -0.876 41.188 42.059 0.008 0.000 0.892 810 L HN 0.305 nan 8.230 nan 0.000 0.431 811 L N -0.841 120.479 121.223 0.161 0.000 2.012 811 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 811 L C 2.325 179.339 176.870 0.239 0.000 1.073 811 L CA 2.570 57.527 54.840 0.195 0.000 0.748 811 L CB -1.076 41.066 42.059 0.139 0.000 0.891 811 L HN 0.405 nan 8.230 nan 0.000 0.431 812 T N -0.693 114.014 114.554 0.254 0.000 2.674 812 T HA -0.236 4.114 4.350 -0.000 0.000 0.265 812 T C 2.046 176.891 174.700 0.241 0.000 1.039 812 T CA 1.725 64.020 62.100 0.325 0.000 1.150 812 T CB -0.312 68.712 68.868 0.259 0.000 0.864 812 T HN 0.310 nan 8.240 nan 0.000 0.427 813 R N 0.215 120.805 120.500 0.150 0.000 2.152 813 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 813 R C 2.474 178.824 176.300 0.083 0.000 1.117 813 R CA 1.357 57.511 56.100 0.089 0.000 0.981 813 R CB -0.322 29.997 30.300 0.033 0.000 0.870 813 R HN 0.326 nan 8.270 nan 0.000 0.451 814 T N -0.496 114.127 114.554 0.115 0.000 2.732 814 T HA -0.128 4.222 4.350 -0.000 0.000 0.261 814 T C 1.303 176.056 174.700 0.089 0.000 1.040 814 T CA 1.239 63.389 62.100 0.084 0.000 1.145 814 T CB -0.358 68.564 68.868 0.088 0.000 0.866 814 T HN 0.278 nan 8.240 nan 0.000 0.427 815 Y N 2.178 122.542 120.300 0.106 0.000 2.256 815 Y HA -0.096 4.454 4.550 0.000 0.000 0.288 815 Y C 1.987 177.958 175.900 0.119 0.000 1.155 815 Y CA 1.086 59.268 58.100 0.136 0.000 1.203 815 Y CB -0.145 38.450 38.460 0.225 0.000 0.980 815 Y HN 0.425 nan 8.280 nan 0.000 0.530 816 E N -0.007 120.332 120.200 0.233 0.000 2.351 816 E HA 0.058 4.408 4.350 -0.000 0.000 0.236 816 E C 0.136 176.785 176.600 0.083 0.000 1.341 816 E CA 0.283 56.770 56.400 0.145 0.000 1.579 816 E CB -0.007 29.767 29.700 0.122 0.000 1.393 816 E HN 0.549 nan 8.360 nan 0.000 0.438 817 E N -0.028 120.214 120.200 0.070 0.000 2.629 817 E HA 0.030 4.380 4.350 -0.000 0.000 0.196 817 E C 0.175 176.797 176.600 0.037 0.000 0.977 817 E CA 0.508 56.932 56.400 0.040 0.000 1.663 817 E CB 0.251 29.965 29.700 0.022 0.000 2.258 817 E HN 0.437 nan 8.360 nan 0.000 1.079 818 D N 1.173 121.586 120.400 0.022 0.000 2.423 818 D HA 0.427 5.067 4.640 -0.000 0.000 0.238 818 D C -0.085 176.233 176.300 0.030 0.000 1.142 818 D CA 0.987 54.986 54.000 -0.002 0.000 0.884 818 D CB 0.203 40.945 40.800 -0.096 0.000 1.199 818 D HN 0.286 nan 8.370 nan 0.000 0.438 824 S N -0.210 115.490 115.700 -0.000 0.000 2.823 824 S HA 1.019 5.489 4.470 -0.000 0.000 0.316 824 S C 0.322 174.936 174.600 0.024 0.000 1.116 824 S CA -0.463 57.727 58.200 -0.017 0.000 0.911 824 S CB 2.122 65.297 63.200 -0.042 0.000 1.276 824 S HN 2.380 nan 8.310 nan 0.000 0.565 825 G N 1.452 110.273 108.800 0.036 0.000 3.393 825 G HA2 0.096 4.056 3.960 -0.000 0.000 0.676 825 G HA3 0.096 4.056 3.960 -0.000 0.000 0.676 825 G C -1.516 173.467 174.900 0.139 0.000 1.224 825 G CA -0.916 44.269 45.100 0.142 0.000 1.109 825 G HN 0.274 nan 8.290 nan 0.000 0.519 826 K N 0.800 121.341 120.400 0.234 0.000 2.118 826 K HA 0.846 5.166 4.320 -0.000 0.000 0.254 826 K C 0.601 177.396 176.600 0.324 0.000 0.961 826 K CA -0.908 55.520 56.287 0.236 0.000 0.876 826 K CB 2.000 34.650 32.500 0.251 0.000 1.077 826 K HN 1.120 nan 8.250 nan 0.000 0.440 827 I N -1.997 118.747 120.570 0.290 0.000 2.689 827 I HA 0.616 4.786 4.170 -0.000 0.000 0.299 827 I C -1.129 175.235 176.117 0.412 0.000 1.059 827 I CA -0.819 60.695 61.300 0.356 0.000 1.055 827 I CB 1.527 39.672 38.000 0.242 0.000 1.243 827 I HN 0.146 nan 8.210 nan 0.000 0.425 828 F N 5.100 125.147 119.950 0.162 0.000 2.520 828 F HA 0.626 5.153 4.527 0.000 0.000 0.322 828 F C -0.241 175.682 175.800 0.205 0.000 1.103 828 F CA -0.875 57.235 58.000 0.184 0.000 0.926 828 F CB 2.037 41.204 39.000 0.279 0.000 1.154 828 F HN 0.322 nan 8.300 nan 0.000 0.453 829 I N 3.983 124.730 120.570 0.294 0.000 2.328 829 I HA 0.184 4.354 4.170 -0.000 0.000 0.287 829 I C -0.562 175.747 176.117 0.319 0.000 1.012 829 I CA -0.393 61.047 61.300 0.234 0.000 1.195 829 I CB 0.788 38.847 38.000 0.099 0.000 1.350 829 I HN 0.485 nan 8.210 nan 0.000 0.464 830 H N 6.653 125.865 119.070 0.237 0.000 2.581 830 H HA 0.246 4.802 4.556 0.000 0.000 0.308 830 H C -0.656 174.731 175.328 0.099 0.000 1.040 830 H CA -0.663 55.519 56.048 0.223 0.000 1.231 830 H CB 1.190 31.030 29.762 0.130 0.000 1.396 830 H HN 0.514 nan 8.280 nan 0.000 0.467 831 N N 3.847 122.510 118.700 -0.063 0.000 2.452 831 N HA -0.097 4.643 4.740 -0.000 0.000 0.266 831 N C 1.529 177.049 175.510 0.017 0.000 1.175 831 N CA -0.002 53.025 53.050 -0.037 0.000 0.945 831 N CB 0.732 39.175 38.487 -0.072 0.000 1.063 831 N HN 0.689 nan 8.380 nan 0.000 0.472 832 E N 2.906 123.129 120.200 0.038 0.000 2.197 832 E HA -0.302 4.048 4.350 -0.000 0.000 0.205 832 E C -0.285 176.295 176.600 -0.035 0.000 1.029 832 E CA 1.642 58.057 56.400 0.025 0.000 0.828 832 E CB -0.006 29.667 29.700 -0.045 0.000 0.737 832 E HN 0.388 nan 8.360 nan 0.000 0.464 833 K N -0.276 120.034 120.400 -0.149 0.000 2.526 833 K HA 0.420 4.740 4.320 -0.000 0.000 0.214 833 K C 0.043 176.553 176.600 -0.151 0.000 1.088 833 K CA 0.417 56.546 56.287 -0.264 0.000 1.058 833 K CB 0.945 33.001 32.500 -0.740 0.000 1.653 833 K HN 0.238 nan 8.250 nan 0.000 0.521 834 A N -0.175 122.616 122.820 -0.048 0.000 1.988 834 A HA 0.279 4.599 4.320 -0.000 0.000 0.201 834 A C 0.396 178.018 177.584 0.064 0.000 1.410 834 A CA 0.204 52.224 52.037 -0.028 0.000 0.832 834 A CB 0.523 19.415 19.000 -0.179 0.000 0.981 834 A HN 0.335 nan 8.150 nan 0.000 0.492 835 S N -1.038 114.734 115.700 0.120 0.000 2.536 835 S HA 0.405 4.875 4.470 -0.000 0.000 0.271 835 S C 0.141 174.805 174.600 0.107 0.000 1.134 835 S CA 0.017 58.308 58.200 0.151 0.000 0.897 835 S CB 1.501 64.856 63.200 0.258 0.000 1.094 835 S HN 0.437 nan 8.310 nan 0.000 0.473 836 K N 2.383 122.824 120.400 0.068 0.000 2.459 836 K HA 0.220 4.540 4.320 -0.000 0.000 0.193 836 K C 0.769 177.351 176.600 -0.030 0.000 1.030 836 K CA 0.742 57.044 56.287 0.025 0.000 1.026 836 K CB 0.035 32.553 32.500 0.030 0.000 0.809 836 K HN 0.316 nan 8.250 nan 0.000 0.504 837 V N -0.104 119.769 119.914 -0.068 0.000 2.635 837 V HA 0.031 4.151 4.120 -0.000 0.000 0.233 837 V C 0.331 176.251 176.094 -0.289 0.000 1.097 837 V CA 0.211 62.357 62.300 -0.258 0.000 1.134 837 V CB -0.374 31.172 31.823 -0.461 0.000 0.841 837 V HN 0.135 nan 8.190 nan 0.000 0.496 838 Y N 3.390 123.699 120.300 0.014 0.000 2.568 838 Y HA 0.379 4.929 4.550 0.000 0.000 0.338 838 Y C 1.133 177.039 175.900 0.010 0.000 1.245 838 Y CA -0.439 57.654 58.100 -0.011 0.000 1.667 838 Y CB -0.894 37.570 38.460 0.008 0.000 1.568 838 Y HN 0.329 nan 8.280 nan 0.000 0.471 839 T N -3.384 111.149 114.554 -0.035 0.000 2.824 839 T HA 0.109 4.459 4.350 -0.000 0.000 0.277 839 T C 1.446 175.766 174.700 -0.633 0.000 0.975 839 T CA -0.465 61.508 62.100 -0.211 0.000 0.966 839 T CB 1.183 69.971 68.868 -0.134 0.000 1.054 839 T HN 0.450 nan 8.240 nan 0.000 0.533 840 T N 0.778 114.808 114.554 -0.874 0.000 2.720 840 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 840 T C 1.416 175.912 174.700 -0.341 0.000 1.037 840 T CA 1.849 63.538 62.100 -0.686 0.000 1.144 840 T CB -0.612 68.049 68.868 -0.346 0.000 0.864 840 T HN 0.674 nan 8.240 nan 0.000 0.444 841 D N 0.495 120.751 120.400 -0.240 0.000 2.097 841 D HA -0.016 4.624 4.640 -0.000 0.000 0.197 841 D C 1.927 178.140 176.300 -0.144 0.000 0.984 841 D CA 0.480 54.388 54.000 -0.154 0.000 0.826 841 D CB -0.394 40.340 40.800 -0.110 0.000 0.973 841 D HN 0.162 nan 8.370 nan 0.000 0.460 842 L N 0.474 121.608 121.223 -0.149 0.000 2.072 842 L HA -0.079 4.260 4.340 -0.000 0.000 0.205 842 L C 1.897 178.712 176.870 -0.090 0.000 1.079 842 L CA 1.198 55.978 54.840 -0.100 0.000 0.752 842 L CB -0.389 41.619 42.059 -0.085 0.000 0.906 842 L HN -0.007 nan 8.230 nan 0.000 0.436 843 I N 0.242 120.719 120.570 -0.154 0.000 2.163 843 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 843 I C 2.686 178.692 176.117 -0.184 0.000 1.085 843 I CA 1.594 62.787 61.300 -0.179 0.000 1.347 843 I CB -1.856 35.938 38.000 -0.343 0.000 1.044 843 I HN 0.362 nan 8.210 nan 0.000 0.408 844 A N 0.869 123.570 122.820 -0.199 0.000 1.908 844 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 844 A C 2.562 180.062 177.584 -0.139 0.000 1.181 844 A CA 2.132 54.055 52.037 -0.190 0.000 0.627 844 A CB -0.794 18.107 19.000 -0.165 0.000 0.818 844 A HN 0.448 nan 8.150 nan 0.000 0.445 845 A N -0.381 122.376 122.820 -0.106 0.000 1.933 845 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 845 A C 2.101 179.656 177.584 -0.049 0.000 1.175 845 A CA 1.507 53.501 52.037 -0.072 0.000 0.628 845 A CB -0.522 18.441 19.000 -0.062 0.000 0.814 845 A HN 0.510 nan 8.150 nan 0.000 0.444 846 I N -0.638 119.908 120.570 -0.041 0.000 2.286 846 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 846 I C 2.207 178.327 176.117 0.004 0.000 1.104 846 I CA 0.925 62.223 61.300 -0.005 0.000 1.397 846 I CB -0.212 37.804 38.000 0.028 0.000 1.072 846 I HN 0.282 nan 8.210 nan 0.000 0.417 847 I N 0.661 121.207 120.570 -0.040 0.000 2.226 847 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 847 I C 2.666 178.852 176.117 0.116 0.000 1.100 847 I CA 1.678 62.971 61.300 -0.012 0.000 1.374 847 I CB -0.888 36.963 38.000 -0.248 0.000 1.057 847 I HN 0.260 nan 8.210 nan 0.000 0.413 848 G N -0.018 108.793 108.800 0.017 0.000 2.459 848 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 848 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 848 G C 1.557 176.445 174.900 -0.020 0.000 1.183 848 G CA 0.805 45.909 45.100 0.006 0.000 0.776 848 G HN 0.417 nan 8.290 nan 0.000 0.552 849 E N 0.486 120.672 120.200 -0.022 0.000 2.338 849 E HA 0.221 4.571 4.350 -0.000 0.000 0.197 849 E C 1.471 178.043 176.600 -0.046 0.000 1.007 849 E CA 0.032 56.410 56.400 -0.037 0.000 0.849 849 E CB -0.089 29.597 29.700 -0.024 0.000 0.774 849 E HN 0.404 nan 8.360 nan 0.000 0.506 850 A N 0.045 122.860 122.820 -0.008 0.000 2.477 850 A HA 0.404 4.724 4.320 -0.000 0.000 0.246 850 A C 1.030 178.489 177.584 -0.209 0.000 1.078 850 A CA 0.511 52.548 52.037 -0.000 0.000 0.770 850 A CB -0.044 19.072 19.000 0.193 0.000 1.011 850 A HN 0.337 nan 8.150 nan 0.000 0.494 851 G N 0.031 108.727 108.800 -0.174 0.000 2.198 851 G HA2 0.203 4.163 3.960 -0.000 0.000 0.257 851 G HA3 0.203 4.163 3.960 -0.000 0.000 0.257 851 G C 0.911 175.681 174.900 -0.218 0.000 1.042 851 G CA 1.165 46.116 45.100 -0.247 0.000 0.791 851 G HN 2.588 nan 8.290 nan 0.000 0.502 852 K N -1.289 119.026 120.400 -0.142 0.000 3.077 852 K HA 0.344 4.664 4.320 -0.000 0.000 0.264 852 K C 2.123 178.644 176.600 -0.133 0.000 1.008 852 K CA 1.892 58.113 56.287 -0.109 0.000 0.740 852 K CB -2.055 30.395 32.500 -0.083 0.000 1.273 852 K HN 2.883 nan 8.250 nan 0.000 0.477 853 G N -1.160 107.536 108.800 -0.173 0.000 2.470 853 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.286 853 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.286 853 G C 0.458 175.199 174.900 -0.265 0.000 1.115 853 G CA 0.962 45.954 45.100 -0.180 0.000 1.122 853 G HN 1.134 nan 8.290 nan 0.000 0.522 854 R N -0.578 119.624 120.500 -0.496 0.000 2.057 854 R HA 0.360 4.700 4.340 -0.000 0.000 0.224 854 R C 0.943 176.893 176.300 -0.584 0.000 1.136 854 R CA 1.479 57.185 56.100 -0.656 0.000 0.968 854 R CB 0.032 29.703 30.300 -1.049 0.000 0.863 854 R HN 0.549 nan 8.270 nan 0.000 0.433 855 F N -0.163 119.680 119.950 -0.179 0.000 2.575 855 F HA 0.485 5.012 4.527 -0.000 0.000 0.330 855 F C -0.546 175.146 175.800 -0.181 0.000 1.056 855 F CA -1.479 56.382 58.000 -0.232 0.000 0.964 855 F CB 0.705 39.445 39.000 -0.434 0.000 1.258 855 F HN -0.266 nan 8.300 nan 0.000 0.484 856 E N 1.530 121.762 120.200 0.053 0.000 2.046 856 E HA 0.257 4.607 4.350 -0.000 0.000 0.279 856 E C -0.737 175.793 176.600 -0.115 0.000 0.989 856 E CA -0.336 56.044 56.400 -0.034 0.000 0.798 856 E CB 1.515 31.189 29.700 -0.043 0.000 1.086 856 E HN 0.709 nan 8.360 nan 0.000 0.399 857 S N 4.358 119.978 115.700 -0.132 0.000 2.562 857 S HA 0.542 5.012 4.470 -0.000 0.000 0.275 857 S C 0.112 174.524 174.600 -0.313 0.000 1.281 857 S CA -0.873 57.183 58.200 -0.239 0.000 1.045 857 S CB 1.645 64.732 63.200 -0.188 0.000 0.962 857 S HN 0.305 nan 8.310 nan 0.000 0.503 858 R N 1.359 121.563 120.500 -0.493 0.000 2.725 858 R HA 0.522 4.862 4.340 -0.000 0.000 0.277 858 R C -0.563 175.582 176.300 -0.257 0.000 0.987 858 R CA -0.551 55.263 56.100 -0.476 0.000 0.901 858 R CB 1.782 31.562 30.300 -0.867 0.000 1.207 858 R HN 0.944 nan 8.270 nan 0.000 0.463 859 T N -1.426 113.092 114.554 -0.060 0.000 2.928 859 T HA 0.818 5.168 4.350 -0.000 0.000 0.284 859 T C -0.122 174.700 174.700 0.204 0.000 1.008 859 T CA -0.786 61.347 62.100 0.056 0.000 1.057 859 T CB 1.883 70.751 68.868 -0.001 0.000 1.018 859 T HN 0.588 nan 8.240 nan 0.000 0.493 860 A N 1.676 124.642 122.820 0.243 0.000 2.381 860 A HA 0.659 4.979 4.320 -0.000 0.000 0.299 860 A C -0.728 176.948 177.584 0.153 0.000 1.049 860 A CA -0.879 51.330 52.037 0.287 0.000 0.715 860 A CB 1.557 20.804 19.000 0.412 0.000 1.222 860 A HN 1.022 nan 8.150 nan 0.000 0.428 861 V N 3.605 123.585 119.914 0.110 0.000 2.315 861 V HA 0.270 4.390 4.120 -0.000 0.000 0.265 861 V C -1.821 174.218 176.094 -0.091 0.000 1.019 861 V CA -0.977 61.320 62.300 -0.005 0.000 0.824 861 V CB 0.554 32.380 31.823 0.005 0.000 1.072 861 V HN 0.759 nan 8.190 nan 0.000 0.448 862 P HA -0.067 nan 4.420 nan 0.000 0.215 862 P C 1.371 178.538 177.300 -0.222 0.000 1.157 862 P CA 2.093 64.854 63.100 -0.566 0.000 0.874 862 P CB 0.104 31.205 31.700 -0.999 0.000 0.790 863 G N -0.431 108.243 108.800 -0.209 0.000 2.591 863 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.298 863 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.298 863 G C 0.747 175.515 174.900 -0.221 0.000 1.195 863 G CA 0.862 45.853 45.100 -0.181 0.000 0.989 863 G HN 0.375 nan 8.290 nan 0.000 0.551 864 H N -0.081 118.955 119.070 -0.057 0.000 2.560 864 H HA 0.216 4.772 4.556 -0.000 0.000 0.283 864 H C 2.440 177.739 175.328 -0.049 0.000 1.028 864 H CA 1.018 57.037 56.048 -0.048 0.000 1.221 864 H CB 0.028 29.770 29.762 -0.033 0.000 1.363 864 H HN 0.322 nan 8.280 nan 0.000 0.594 865 V N 0.226 120.148 119.914 0.014 0.000 2.970 865 V HA -0.201 3.919 4.120 -0.000 0.000 0.260 865 V C 1.760 177.828 176.094 -0.044 0.000 1.100 865 V CA 1.361 63.661 62.300 -0.001 0.000 1.122 865 V CB -0.200 31.635 31.823 0.020 0.000 0.721 865 V HN 0.510 nan 8.190 nan 0.000 0.483 866 Q N -0.292 119.450 119.800 -0.097 0.000 2.248 866 Q HA -0.261 4.079 4.340 -0.000 0.000 0.208 866 Q C 2.235 178.185 176.000 -0.083 0.000 0.984 866 Q CA 1.908 57.642 55.803 -0.114 0.000 0.875 866 Q CB -0.082 28.563 28.738 -0.155 0.000 0.910 866 Q HN 0.810 nan 8.270 nan 0.000 0.433 867 Q N -0.363 119.401 119.800 -0.060 0.000 2.291 867 Q HA 0.030 4.369 4.340 -0.000 0.000 0.205 867 Q C 0.843 176.813 176.000 -0.050 0.000 0.970 867 Q CA 0.941 56.712 55.803 -0.053 0.000 0.876 867 Q CB -0.150 28.565 28.738 -0.038 0.000 0.935 867 Q HN 0.219 nan 8.270 nan 0.000 0.455 868 G N 1.582 110.359 108.800 -0.038 0.000 2.733 868 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.686 868 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.686 868 G C -0.229 174.649 174.900 -0.038 0.000 1.373 868 G CA 0.083 45.163 45.100 -0.033 0.000 0.838 868 G HN 0.217 nan 8.290 nan 0.000 0.588 869 K N -0.411 119.967 120.400 -0.037 0.000 2.021 869 K HA 0.252 4.572 4.320 -0.000 0.000 0.205 869 K C 1.160 177.720 176.600 -0.067 0.000 1.047 869 K CA 1.493 57.751 56.287 -0.048 0.000 0.943 869 K CB -0.023 32.452 32.500 -0.042 0.000 0.725 869 K HN 0.502 nan 8.250 nan 0.000 0.439 870 S N 1.468 117.127 115.700 -0.069 0.000 2.513 870 S HA 0.403 4.873 4.470 -0.000 0.000 0.299 870 S C -2.750 171.814 174.600 -0.060 0.000 1.087 870 S CA -1.422 56.730 58.200 -0.080 0.000 1.012 870 S CB 1.965 65.104 63.200 -0.101 0.000 1.044 870 S HN 0.120 nan 8.310 nan 0.000 0.485 871 P HA 0.109 nan 4.420 nan 0.000 0.268 871 P C -0.018 177.272 177.300 -0.016 0.000 1.205 871 P CA -0.206 62.874 63.100 -0.032 0.000 0.771 871 P CB 0.416 32.102 31.700 -0.025 0.000 0.858 872 S N 1.328 117.028 115.700 -0.001 0.000 2.596 872 S HA 0.028 4.498 4.470 -0.000 0.000 0.260 872 S C 1.649 176.266 174.600 0.029 0.000 1.336 872 S CA 0.328 58.538 58.200 0.016 0.000 0.993 872 S CB -0.144 63.069 63.200 0.020 0.000 0.923 872 S HN 0.544 nan 8.310 nan 0.000 0.567 873 S N 1.339 117.070 115.700 0.053 0.000 2.368 873 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 873 S C 1.830 176.468 174.600 0.063 0.000 1.030 873 S CA 1.103 59.340 58.200 0.062 0.000 0.999 873 S CB -1.070 62.186 63.200 0.093 0.000 0.844 873 S HN 0.692 nan 8.310 nan 0.000 0.459 874 I N 2.379 122.975 120.570 0.044 0.000 2.208 874 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 874 I C 2.346 178.434 176.117 -0.049 0.000 1.097 874 I CA 1.735 62.986 61.300 -0.081 0.000 1.363 874 I CB -0.417 37.404 38.000 -0.298 0.000 1.051 874 I HN 0.252 nan 8.210 nan 0.000 0.413 875 D N 0.421 120.835 120.400 0.023 0.000 2.117 875 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 875 D C 2.368 178.698 176.300 0.050 0.000 0.982 875 D CA 1.145 55.191 54.000 0.077 0.000 0.828 875 D CB -0.120 40.718 40.800 0.062 0.000 0.967 875 D HN 0.252 nan 8.370 nan 0.000 0.464 876 R N 0.225 120.746 120.500 0.035 0.000 2.073 876 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 876 R C 2.453 178.772 176.300 0.031 0.000 1.134 876 R CA 0.717 56.841 56.100 0.040 0.000 0.952 876 R CB -0.441 29.886 30.300 0.044 0.000 0.850 876 R HN 0.042 nan 8.270 nan 0.000 0.433 877 V N 1.750 121.672 119.914 0.013 0.000 2.261 877 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 877 V C 1.826 177.925 176.094 0.008 0.000 1.047 877 V CA 1.805 64.103 62.300 -0.002 0.000 1.015 877 V CB -0.490 31.323 31.823 -0.016 0.000 0.642 877 V HN 0.370 nan 8.190 nan 0.000 0.446 878 N N 0.350 119.052 118.700 0.005 0.000 2.188 878 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 878 N C 1.894 177.431 175.510 0.046 0.000 1.018 878 N CA 1.562 54.623 53.050 0.019 0.000 0.858 878 N CB -0.446 38.051 38.487 0.017 0.000 0.989 878 N HN 0.482 nan 8.380 nan 0.000 0.426 879 A N 0.469 123.320 122.820 0.052 0.000 1.940 879 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 879 A C 2.714 180.327 177.584 0.049 0.000 1.176 879 A CA 1.582 53.647 52.037 0.046 0.000 0.631 879 A CB -1.112 17.914 19.000 0.043 0.000 0.814 879 A HN 0.510 nan 8.150 nan 0.000 0.446 880 C N -0.866 118.462 119.300 0.048 0.000 2.476 880 C HA 0.033 4.493 4.460 -0.000 0.000 0.278 880 C C 2.750 177.773 174.990 0.055 0.000 1.274 880 C CA 1.271 60.320 59.018 0.050 0.000 1.713 880 C CB -1.159 26.603 27.740 0.036 0.000 2.039 880 C HN 0.695 nan 8.230 nan 0.000 0.484 881 R N 0.221 120.749 120.500 0.046 0.000 2.080 881 R HA -0.109 4.231 4.340 -0.000 0.000 0.236 881 R C 2.219 178.554 176.300 0.059 0.000 1.137 881 R CA 2.194 58.326 56.100 0.053 0.000 0.943 881 R CB -0.474 29.849 30.300 0.039 0.000 0.846 881 R HN 0.600 nan 8.270 nan 0.000 0.431 882 L N 0.124 121.370 121.223 0.040 0.000 2.093 882 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 882 L C 2.735 179.632 176.870 0.045 0.000 1.085 882 L CA 1.122 55.975 54.840 0.022 0.000 0.755 882 L CB -0.493 41.565 42.059 -0.001 0.000 0.904 882 L HN 0.342 nan 8.230 nan 0.000 0.435 883 A N 0.381 123.235 122.820 0.057 0.000 1.902 883 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 883 A C 2.255 179.893 177.584 0.091 0.000 1.181 883 A CA 1.613 53.691 52.037 0.068 0.000 0.623 883 A CB -0.702 18.339 19.000 0.069 0.000 0.818 883 A HN 0.325 nan 8.150 nan 0.000 0.443 884 I N -0.457 120.176 120.570 0.106 0.000 2.208 884 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 884 I C 2.332 178.549 176.117 0.167 0.000 1.097 884 I CA 1.395 62.776 61.300 0.135 0.000 1.363 884 I CB -0.103 37.984 38.000 0.145 0.000 1.051 884 I HN 0.178 nan 8.210 nan 0.000 0.413 885 K N -0.075 120.430 120.400 0.175 0.000 2.148 885 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 885 K C 2.204 179.008 176.600 0.341 0.000 1.050 885 K CA 1.072 57.522 56.287 0.271 0.000 0.942 885 K CB -0.604 32.026 32.500 0.216 0.000 0.724 885 K HN 0.408 nan 8.250 nan 0.000 0.446 886 C N 0.572 119.999 119.300 0.213 0.000 2.436 886 C HA -0.154 4.306 4.460 -0.000 0.000 0.277 886 C C 3.022 178.167 174.990 0.258 0.000 1.241 886 C CA 0.515 59.665 59.018 0.220 0.000 1.721 886 C CB -0.913 26.898 27.740 0.118 0.000 2.043 886 C HN 0.516 nan 8.230 nan 0.000 0.472 887 C N 0.906 120.310 119.300 0.174 0.000 2.413 887 C HA -0.117 4.343 4.460 -0.000 0.000 0.276 887 C C 2.479 177.570 174.990 0.169 0.000 1.248 887 C CA 1.218 60.314 59.018 0.130 0.000 1.742 887 C CB -1.763 26.017 27.740 0.067 0.000 2.017 887 C HN 0.643 nan 8.230 nan 0.000 0.481 888 N N 0.334 119.162 118.700 0.213 0.000 2.166 888 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 888 N C 1.349 177.008 175.510 0.248 0.000 1.019 888 N CA 1.138 54.316 53.050 0.213 0.000 0.856 888 N CB -0.546 38.077 38.487 0.227 0.000 0.993 888 N HN 0.618 nan 8.380 nan 0.000 0.426 889 F N 1.728 121.799 119.950 0.201 0.000 2.053 889 F HA -0.006 4.521 4.527 -0.000 0.000 0.292 889 F C 2.124 178.070 175.800 0.243 0.000 1.125 889 F CA 1.015 59.152 58.000 0.228 0.000 1.193 889 F CB -0.496 38.672 39.000 0.280 0.000 0.996 889 F HN -0.002 nan 8.300 nan 0.000 0.470 890 I N -0.742 119.972 120.570 0.239 0.000 2.208 890 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 890 I C 1.453 177.587 176.117 0.029 0.000 1.097 890 I CA 1.960 63.312 61.300 0.087 0.000 1.363 890 I CB -0.974 37.112 38.000 0.144 0.000 1.051 890 I HN 0.191 nan 8.210 nan 0.000 0.413 891 E N 1.221 121.438 120.200 0.029 0.000 2.494 891 E HA -0.006 4.344 4.350 -0.000 0.000 0.193 891 E C 0.159 176.778 176.600 0.031 0.000 1.074 891 E CA -0.111 56.271 56.400 -0.030 0.000 0.867 891 E CB -0.189 29.474 29.700 -0.061 0.000 0.924 891 E HN 0.445 nan 8.360 nan 0.000 0.502 892 D N 0.328 120.751 120.400 0.039 0.000 2.425 892 D HA 0.014 4.654 4.640 -0.000 0.000 0.247 892 D C 0.926 177.173 176.300 -0.088 0.000 1.147 892 D CA 0.068 54.043 54.000 -0.042 0.000 0.879 892 D CB 1.268 41.982 40.800 -0.143 0.000 1.179 892 D HN 0.106 nan 8.370 nan 0.000 0.456 893 A N 5.024 127.790 122.820 -0.090 0.000 1.972 893 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 893 A C 1.876 179.366 177.584 -0.157 0.000 1.169 893 A CA 0.981 52.973 52.037 -0.075 0.000 0.635 893 A CB -0.254 18.722 19.000 -0.040 0.000 0.810 893 A HN 0.678 nan 8.150 nan 0.000 0.446 894 N N -0.580 117.926 118.700 -0.324 0.000 2.149 894 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 894 N C 0.791 176.058 175.510 -0.404 0.000 1.019 894 N CA 1.433 54.218 53.050 -0.441 0.000 0.857 894 N CB -0.392 37.681 38.487 -0.690 0.000 0.997 894 N HN 0.536 nan 8.380 nan 0.000 0.426 895 F N 0.741 120.618 119.950 -0.122 0.000 2.765 895 F HA 0.250 4.777 4.527 0.000 0.000 0.302 895 F C 0.993 176.748 175.800 -0.075 0.000 1.111 895 F CA 0.078 58.005 58.000 -0.122 0.000 1.359 895 F CB -0.020 38.843 39.000 -0.229 0.000 1.097 895 F HN -0.212 nan 8.300 nan 0.000 0.577 896 Q N 0.229 120.055 119.800 0.043 0.000 2.257 896 Q HA 0.351 4.691 4.340 -0.000 0.000 0.262 896 Q C -0.043 175.932 176.000 -0.041 0.000 0.997 896 Q CA -0.785 55.031 55.803 0.022 0.000 0.873 896 Q CB 2.776 31.529 28.738 0.024 0.000 1.312 896 Q HN -0.161 nan 8.270 nan 0.000 0.450 897 V N 2.366 122.237 119.914 -0.072 0.000 2.644 897 V HA -0.142 3.978 4.120 -0.000 0.000 0.305 897 V C 0.366 176.244 176.094 -0.361 0.000 1.053 897 V CA 0.546 62.746 62.300 -0.167 0.000 1.186 897 V CB -0.159 31.567 31.823 -0.163 0.000 0.895 897 V HN 0.513 nan 8.190 nan 0.000 0.490 898 K N 4.247 124.487 120.400 -0.267 0.000 2.276 898 K HA 0.265 4.584 4.320 -0.000 0.000 0.283 898 K C 0.913 177.313 176.600 -0.333 0.000 1.044 898 K CA -0.136 55.997 56.287 -0.257 0.000 0.944 898 K CB 0.364 32.797 32.500 -0.112 0.000 1.012 898 K HN 0.595 nan 8.250 nan 0.000 0.472 899 H N 0.828 119.878 119.070 -0.032 0.000 2.535 899 H HA 0.065 4.621 4.556 -0.000 0.000 0.273 899 H C -0.241 175.056 175.328 -0.053 0.000 0.983 899 H CA 0.480 56.502 56.048 -0.043 0.000 1.238 899 H CB 0.526 30.271 29.762 -0.029 0.000 1.412 899 H HN 0.426 nan 8.280 nan 0.000 0.562 900 N N 1.450 120.163 118.700 0.021 0.000 3.229 900 N HA 0.379 5.119 4.740 -0.000 0.000 0.275 900 N C -0.627 174.852 175.510 -0.053 0.000 1.225 900 N CA 0.080 53.125 53.050 -0.008 0.000 1.119 900 N CB 0.972 39.458 38.487 -0.002 0.000 1.392 900 N HN 0.211 nan 8.380 nan 0.000 0.520 901 A N 1.037 123.805 122.820 -0.087 0.000 2.574 901 A HA 0.358 4.678 4.320 -0.000 0.000 0.297 901 A C -0.546 176.927 177.584 -0.186 0.000 1.062 901 A CA -0.911 51.026 52.037 -0.166 0.000 0.686 901 A CB 0.945 19.797 19.000 -0.248 0.000 1.285 901 A HN 0.245 nan 8.150 nan 0.000 0.403 902 N N 1.791 120.362 118.700 -0.215 0.000 3.027 902 N HA 0.170 4.910 4.740 -0.000 0.000 0.309 902 N C -0.887 174.480 175.510 -0.238 0.000 1.222 902 N CA 0.584 53.529 53.050 -0.175 0.000 1.187 902 N CB -0.376 38.033 38.487 -0.129 0.000 1.458 902 N HN 0.513 nan 8.380 nan 0.000 0.535 903 L N 0.487 121.581 121.223 -0.216 0.000 2.307 903 L HA 0.298 4.638 4.340 -0.000 0.000 0.284 903 L C 0.900 177.696 176.870 -0.124 0.000 1.023 903 L CA -0.731 53.985 54.840 -0.207 0.000 0.810 903 L CB 1.439 43.368 42.059 -0.216 0.000 1.231 903 L HN 0.205 nan 8.230 nan 0.000 0.423 904 S N 1.922 117.563 115.700 -0.100 0.000 2.632 904 S HA 0.386 4.856 4.470 -0.000 0.000 0.267 904 S C 1.156 175.680 174.600 -0.125 0.000 1.276 904 S CA -0.046 58.105 58.200 -0.082 0.000 0.998 904 S CB 1.705 64.875 63.200 -0.050 0.000 0.953 904 S HN 0.706 nan 8.310 nan 0.000 0.547 905 A N 1.248 123.990 122.820 -0.131 0.000 1.940 905 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 905 A C 1.807 179.164 177.584 -0.378 0.000 1.176 905 A CA 1.795 53.684 52.037 -0.247 0.000 0.631 905 A CB -1.011 17.909 19.000 -0.132 0.000 0.814 905 A HN 0.915 nan 8.150 nan 0.000 0.446 906 D N -0.545 119.778 120.400 -0.129 0.000 2.149 906 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 906 D C 1.874 178.103 176.300 -0.119 0.000 0.972 906 D CA 1.278 55.257 54.000 -0.035 0.000 0.835 906 D CB -0.307 40.489 40.800 -0.007 0.000 0.966 906 D HN 0.645 nan 8.370 nan 0.000 0.476 907 E N 0.689 120.811 120.200 -0.130 0.000 2.077 907 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 907 E C 2.203 178.718 176.600 -0.141 0.000 0.989 907 E CA 0.842 57.167 56.400 -0.125 0.000 0.800 907 E CB -0.003 29.679 29.700 -0.030 0.000 0.746 907 E HN 0.327 nan 8.360 nan 0.000 0.452 908 R N -0.178 120.212 120.500 -0.183 0.000 2.148 908 R HA -0.089 4.251 4.340 -0.000 0.000 0.227 908 R C 1.681 177.901 176.300 -0.134 0.000 1.103 908 R CA 1.602 57.598 56.100 -0.174 0.000 0.983 908 R CB -0.551 29.645 30.300 -0.172 0.000 0.874 908 R HN 0.346 nan 8.270 nan 0.000 0.451 909 H N 0.342 119.376 119.070 -0.061 0.000 2.403 909 H HA 0.125 4.681 4.556 -0.000 0.000 0.298 909 H C 1.875 177.150 175.328 -0.088 0.000 1.059 909 H CA 0.955 56.968 56.048 -0.059 0.000 1.363 909 H CB 0.204 29.923 29.762 -0.072 0.000 1.410 909 H HN 0.033 nan 8.280 nan 0.000 0.528 910 L N 0.024 121.196 121.223 -0.085 0.000 2.313 910 L HA 0.006 4.346 4.340 -0.000 0.000 0.214 910 L C 0.634 177.375 176.870 -0.215 0.000 1.119 910 L CA 0.500 55.163 54.840 -0.295 0.000 0.809 910 L CB 0.124 41.711 42.059 -0.786 0.000 0.933 910 L HN 0.267 nan 8.230 nan 0.000 0.449 911 R N -0.807 119.634 120.500 -0.098 0.000 3.776 911 R HA -0.217 4.123 4.340 -0.000 0.000 0.312 911 R C -0.860 175.552 176.300 0.186 0.000 1.181 911 R CA 0.916 57.053 56.100 0.061 0.000 0.836 911 R CB -2.608 27.764 30.300 0.120 0.000 1.324 911 R HN 0.449 nan 8.270 nan 0.000 0.501 912 F N -1.272 118.742 119.950 0.107 0.000 2.678 912 F HA 0.773 5.300 4.527 -0.000 0.000 0.308 912 F C -0.959 174.948 175.800 0.178 0.000 1.118 912 F CA -2.035 56.002 58.000 0.063 0.000 0.959 912 F CB 1.087 40.047 39.000 -0.067 0.000 1.305 912 F HN -0.086 nan 8.300 nan 0.000 0.443 913 F N -0.301 119.778 119.950 0.215 0.000 2.613 913 F HA 0.718 5.245 4.527 -0.000 0.000 0.310 913 F C -2.235 173.645 175.800 0.133 0.000 1.085 913 F CA -1.879 56.225 58.000 0.174 0.000 0.945 913 F CB 1.400 40.443 39.000 0.072 0.000 1.298 913 F HN 0.535 nan 8.300 nan 0.000 0.455 914 Y N 1.403 121.824 120.300 0.201 0.000 2.404 914 Y HA 0.324 4.874 4.550 -0.000 0.000 0.344 914 Y C -0.451 175.524 175.900 0.125 0.000 0.970 914 Y CA -0.311 57.829 58.100 0.065 0.000 1.180 914 Y CB 0.886 39.394 38.460 0.080 0.000 1.138 914 Y HN 0.646 nan 8.280 nan 0.000 0.510 915 D N 3.341 123.792 120.400 0.086 0.000 2.303 915 D HA 0.121 4.761 4.640 -0.000 0.000 0.236 915 D C -0.229 176.130 176.300 0.098 0.000 1.068 915 D CA -0.184 53.919 54.000 0.171 0.000 0.830 915 D CB 0.577 41.503 40.800 0.211 0.000 1.109 915 D HN 0.549 nan 8.370 nan 0.000 0.496 916 D N 3.413 123.881 120.400 0.113 0.000 2.702 916 D HA -0.241 4.399 4.640 -0.000 0.000 0.233 916 D C 1.012 177.355 176.300 0.072 0.000 1.164 916 D CA 1.475 55.522 54.000 0.078 0.000 0.638 916 D CB -0.722 40.112 40.800 0.057 0.000 1.041 916 D HN 0.900 nan 8.370 nan 0.000 0.422 917 G N -1.852 107.015 108.800 0.112 0.000 2.383 917 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.229 917 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.229 917 G C 0.772 175.761 174.900 0.147 0.000 1.089 917 G CA 0.463 45.642 45.100 0.132 0.000 0.640 917 G HN 1.192 nan 8.290 nan 0.000 0.510 918 V N 1.790 121.722 119.914 0.029 0.000 2.521 918 V HA 0.620 4.740 4.120 -0.000 0.000 0.286 918 V C 0.837 176.757 176.094 -0.289 0.000 1.034 918 V CA 0.945 63.190 62.300 -0.092 0.000 1.045 918 V CB 0.589 32.354 31.823 -0.097 0.000 0.974 918 V HN 0.555 nan 8.190 nan 0.000 0.480 919 K N 4.635 124.728 120.400 -0.511 0.000 2.338 919 K HA 0.436 4.756 4.320 -0.000 0.000 0.290 919 K C -0.271 175.956 176.600 -0.621 0.000 1.069 919 K CA -0.006 55.715 56.287 -0.944 0.000 0.941 919 K CB 0.050 31.889 32.500 -1.102 0.000 1.023 919 K HN 0.821 nan 8.250 nan 0.000 0.477 920 T N 2.088 116.206 114.554 -0.726 0.000 2.855 920 T HA 0.102 4.452 4.350 -0.000 0.000 0.281 920 T C -0.454 173.927 174.700 -0.532 0.000 1.007 920 T CA -0.631 61.055 62.100 -0.690 0.000 1.009 920 T CB 1.640 69.889 68.868 -1.032 0.000 0.983 920 T HN 0.505 nan 8.240 nan 0.000 0.455 921 S N 1.380 116.953 115.700 -0.211 0.000 2.481 921 S HA 0.347 4.816 4.470 -0.000 0.000 0.276 921 S C 1.404 176.110 174.600 0.177 0.000 1.247 921 S CA -0.562 57.646 58.200 0.014 0.000 1.053 921 S CB 0.083 63.298 63.200 0.025 0.000 0.925 921 S HN 0.808 nan 8.310 nan 0.000 0.491 922 A N 4.648 127.650 122.820 0.302 0.000 2.248 922 A HA 0.137 4.457 4.320 -0.000 0.000 0.210 922 A C 1.311 178.976 177.584 0.134 0.000 1.174 922 A CA 0.853 53.088 52.037 0.330 0.000 0.750 922 A CB -0.292 18.839 19.000 0.218 0.000 0.780 922 A HN 0.714 nan 8.150 nan 0.000 0.478 923 V N -0.764 119.217 119.914 0.111 0.000 2.868 923 V HA -0.056 4.064 4.120 -0.000 0.000 0.227 923 V C 2.618 178.742 176.094 0.049 0.000 1.136 923 V CA 1.363 63.696 62.300 0.055 0.000 1.206 923 V CB -0.614 31.251 31.823 0.069 0.000 0.997 923 V HN 0.603 nan 8.190 nan 0.000 0.505 924 S N 0.817 116.552 115.700 0.057 0.000 2.453 924 S HA 0.084 4.553 4.470 -0.000 0.000 0.231 924 S C 1.802 176.425 174.600 0.039 0.000 1.005 924 S CA 1.158 59.382 58.200 0.039 0.000 0.949 924 S CB -0.073 63.151 63.200 0.039 0.000 0.774 924 S HN 1.475 nan 8.310 nan 0.000 0.510 925 G N 1.208 110.047 108.800 0.064 0.000 2.184 925 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.264 925 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.264 925 G C 0.054 174.954 174.900 0.000 0.000 0.975 925 G CA 0.564 45.707 45.100 0.071 0.000 0.642 925 G HN 0.597 nan 8.290 nan 0.000 0.536 926 K N 0.457 120.848 120.400 -0.016 0.000 2.126 926 K HA 0.506 4.826 4.320 -0.000 0.000 0.257 926 K C 1.448 177.994 176.600 -0.091 0.000 1.007 926 K CA 0.074 56.337 56.287 -0.040 0.000 0.928 926 K CB 0.886 33.375 32.500 -0.018 0.000 1.013 926 K HN 0.100 nan 8.250 nan 0.000 0.473 927 S N 0.472 116.113 115.700 -0.099 0.000 2.383 927 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 927 S C 0.791 175.305 174.600 -0.143 0.000 1.026 927 S CA 0.861 58.976 58.200 -0.141 0.000 0.981 927 S CB -0.096 63.037 63.200 -0.110 0.000 0.818 927 S HN 0.740 nan 8.310 nan 0.000 0.472 928 S N 2.045 117.689 115.700 -0.094 0.000 2.423 928 S HA 0.292 4.762 4.470 -0.000 0.000 0.302 928 S C 1.000 175.558 174.600 -0.071 0.000 1.143 928 S CA -0.649 57.503 58.200 -0.081 0.000 1.080 928 S CB 0.826 63.999 63.200 -0.046 0.000 1.081 928 S HN 0.057 nan 8.310 nan 0.000 0.522 929 V N 3.826 123.677 119.914 -0.106 0.000 2.407 929 V HA -0.076 4.044 4.120 -0.000 0.000 0.248 929 V C 1.030 177.123 176.094 -0.002 0.000 1.055 929 V CA 1.342 63.600 62.300 -0.070 0.000 1.049 929 V CB -0.568 31.152 31.823 -0.172 0.000 0.662 929 V HN 0.825 nan 8.190 nan 0.000 0.455 930 I N 1.134 121.695 120.570 -0.015 0.000 2.304 930 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 930 I C -0.421 175.709 176.117 0.021 0.000 1.018 930 I CA -0.175 61.133 61.300 0.014 0.000 1.260 930 I CB 1.059 39.059 38.000 0.001 0.000 1.390 930 I HN 0.061 nan 8.210 nan 0.000 0.475 931 D N 5.850 126.276 120.400 0.042 0.000 2.329 931 D HA 0.117 4.757 4.640 -0.000 0.000 0.232 931 D C 0.481 176.807 176.300 0.045 0.000 1.088 931 D CA -0.262 53.770 54.000 0.052 0.000 0.835 931 D CB 1.378 42.228 40.800 0.083 0.000 1.078 931 D HN 0.412 nan 8.370 nan 0.000 0.495 932 D N 2.497 122.924 120.400 0.045 0.000 2.269 932 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 932 D C 0.970 177.306 176.300 0.060 0.000 0.963 932 D CA 0.477 54.503 54.000 0.044 0.000 0.864 932 D CB 0.349 41.175 40.800 0.044 0.000 0.936 932 D HN 0.430 nan 8.370 nan 0.000 0.505 933 N N 0.083 118.829 118.700 0.078 0.000 2.512 933 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 933 N C 1.744 177.315 175.510 0.102 0.000 1.073 933 N CA 0.737 53.852 53.050 0.109 0.000 0.911 933 N CB -0.217 38.362 38.487 0.154 0.000 0.964 933 N HN 0.325 nan 8.380 nan 0.000 0.447 934 T N -3.204 111.355 114.554 0.008 0.000 3.023 934 T HA 0.092 4.442 4.350 -0.000 0.000 0.266 934 T C 0.938 175.709 174.700 0.117 0.000 1.093 934 T CA 0.219 62.270 62.100 -0.082 0.000 1.129 934 T CB -0.023 68.728 68.868 -0.196 0.000 0.899 934 T HN -0.149 nan 8.240 nan 0.000 0.491 935 S N 1.259 117.007 115.700 0.079 0.000 2.543 935 S HA 0.615 5.085 4.470 -0.000 0.000 0.299 935 S C -0.617 174.001 174.600 0.030 0.000 1.125 935 S CA -0.613 57.620 58.200 0.056 0.000 1.098 935 S CB 0.899 64.104 63.200 0.009 0.000 1.063 935 S HN 0.296 nan 8.310 nan 0.000 0.493 936 V N 3.878 123.775 119.914 -0.029 0.000 2.864 936 V HA 0.531 4.651 4.120 -0.000 0.000 0.314 936 V C -0.452 175.583 176.094 -0.099 0.000 1.073 936 V CA -0.637 61.592 62.300 -0.118 0.000 0.956 936 V CB 2.367 33.952 31.823 -0.397 0.000 1.023 936 V HN 0.474 nan 8.190 nan 0.000 0.435 937 V N 5.889 125.769 119.914 -0.057 0.000 2.350 937 V HA 0.438 4.558 4.120 -0.000 0.000 0.276 937 V C -0.078 175.917 176.094 -0.164 0.000 1.028 937 V CA -0.274 61.998 62.300 -0.046 0.000 0.860 937 V CB 1.284 33.134 31.823 0.045 0.000 0.990 937 V HN 0.603 nan 8.190 nan 0.000 0.453 938 I N 5.206 125.646 120.570 -0.215 0.000 2.291 938 I HA 0.605 4.775 4.170 -0.000 0.000 0.290 938 I C 0.881 176.842 176.117 -0.261 0.000 1.050 938 I CA 0.534 61.611 61.300 -0.371 0.000 1.245 938 I CB 0.898 38.654 38.000 -0.406 0.000 1.405 938 I HN 0.746 nan 8.210 nan 0.000 0.478 939 G N 6.125 114.769 108.800 -0.260 0.000 3.022 939 G HA2 0.794 4.753 3.960 -0.000 0.000 0.284 939 G HA3 0.794 4.753 3.960 -0.000 0.000 0.284 939 G C -1.094 173.729 174.900 -0.127 0.000 1.375 939 G CA -0.652 44.354 45.100 -0.156 0.000 0.902 939 G HN 0.325 nan 8.290 nan 0.000 0.538 940 I N -0.203 120.333 120.570 -0.056 0.000 2.404 940 I HA 0.427 4.597 4.170 -0.000 0.000 0.293 940 I C -0.577 175.534 176.117 -0.010 0.000 0.992 940 I CA -0.460 60.826 61.300 -0.024 0.000 1.149 940 I CB 2.219 40.224 38.000 0.009 0.000 1.315 940 I HN 0.163 nan 8.210 nan 0.000 0.446 941 Q N 4.035 123.835 119.800 -0.000 0.000 2.394 941 Q HA 0.598 4.938 4.340 -0.000 0.000 0.261 941 Q C 0.397 176.416 176.000 0.031 0.000 1.023 941 Q CA 0.416 56.229 55.803 0.016 0.000 0.720 941 Q CB 1.771 30.519 28.738 0.017 0.000 1.241 941 Q HN 0.875 nan 8.270 nan 0.000 0.483 942 G N 1.489 110.311 108.800 0.038 0.000 2.950 942 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.299 942 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.299 942 G C 0.809 175.732 174.900 0.039 0.000 1.310 942 G CA 0.712 45.840 45.100 0.047 0.000 0.994 942 G HN 0.646 nan 8.290 nan 0.000 0.575 943 S N 0.202 115.928 115.700 0.043 0.000 2.741 943 S HA 0.282 4.752 4.470 -0.000 0.000 0.245 943 S C 0.785 175.411 174.600 0.043 0.000 1.083 943 S CA 1.136 59.361 58.200 0.042 0.000 0.873 943 S CB -0.033 63.203 63.200 0.061 0.000 0.814 943 S HN 0.720 nan 8.310 nan 0.000 0.476 944 E N 1.570 121.800 120.200 0.051 0.000 2.415 944 E HA 0.190 4.540 4.350 -0.000 0.000 0.262 944 E C -1.051 175.567 176.600 0.030 0.000 1.038 944 E CA -0.100 56.335 56.400 0.058 0.000 0.921 944 E CB 0.845 30.588 29.700 0.071 0.000 0.950 944 E HN 0.140 nan 8.360 nan 0.000 0.438 945 V N 3.872 123.804 119.914 0.029 0.000 2.465 945 V HA 0.195 4.314 4.120 -0.000 0.000 0.279 945 V C 0.296 176.330 176.094 -0.099 0.000 1.045 945 V CA -0.216 62.042 62.300 -0.071 0.000 0.938 945 V CB 1.219 32.995 31.823 -0.077 0.000 0.986 945 V HN 0.826 nan 8.190 nan 0.000 0.467 946 T N 2.020 116.440 114.554 -0.224 0.000 2.856 946 T HA 0.732 5.082 4.350 -0.000 0.000 0.283 946 T C -0.924 173.545 174.700 -0.385 0.000 1.008 946 T CA -0.511 61.507 62.100 -0.136 0.000 0.997 946 T CB 1.269 70.119 68.868 -0.029 0.000 0.992 946 T HN 0.187 nan 8.240 nan 0.000 0.454 947 F N 1.399 121.323 119.950 -0.043 0.000 2.347 947 F HA 0.497 5.024 4.527 -0.000 0.000 0.366 947 F C 0.528 176.278 175.800 -0.084 0.000 1.107 947 F CA -0.765 57.153 58.000 -0.137 0.000 1.058 947 F CB 1.796 40.683 39.000 -0.188 0.000 1.236 947 F HN 0.568 nan 8.300 nan 0.000 0.456 948 T N 4.208 118.773 114.554 0.019 0.000 2.812 948 T HA 0.374 4.724 4.350 -0.000 0.000 0.282 948 T C -2.806 171.928 174.700 0.056 0.000 0.990 948 T CA -1.917 60.214 62.100 0.051 0.000 0.960 948 T CB 1.771 70.660 68.868 0.036 0.000 0.948 948 T HN 0.088 nan 8.240 nan 0.000 0.438 949 P HA 0.106 nan 4.420 nan 0.000 0.271 949 P C 1.450 178.825 177.300 0.125 0.000 1.220 949 P CA -0.529 62.622 63.100 0.086 0.000 0.768 949 P CB 0.518 32.272 31.700 0.090 0.000 0.848 950 V N 2.905 122.898 119.914 0.130 0.000 2.278 950 V HA -0.340 3.780 4.120 -0.000 0.000 0.251 950 V C 2.019 178.259 176.094 0.243 0.000 1.062 950 V CA 1.632 64.043 62.300 0.184 0.000 1.038 950 V CB -1.485 30.388 31.823 0.084 0.000 0.646 950 V HN 0.473 nan 8.190 nan 0.000 0.447 951 K N 0.068 120.595 120.400 0.213 0.000 2.059 951 K HA -0.267 4.053 4.320 -0.000 0.000 0.212 951 K C 2.433 179.168 176.600 0.224 0.000 1.050 951 K CA 2.354 58.789 56.287 0.247 0.000 0.927 951 K CB -0.334 32.257 32.500 0.151 0.000 0.714 951 K HN 0.670 nan 8.250 nan 0.000 0.447 952 Q N 0.619 120.522 119.800 0.171 0.000 2.046 952 Q HA -0.095 4.245 4.340 -0.000 0.000 0.200 952 Q C 2.311 178.403 176.000 0.152 0.000 0.975 952 Q CA 1.196 57.082 55.803 0.139 0.000 0.836 952 Q CB -0.672 28.131 28.738 0.108 0.000 0.896 952 Q HN 0.350 nan 8.270 nan 0.000 0.428 953 L N -1.070 120.271 121.223 0.196 0.000 2.131 953 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 953 L C 2.183 179.219 176.870 0.277 0.000 1.092 953 L CA 0.886 55.862 54.840 0.227 0.000 0.759 953 L CB -0.320 41.940 42.059 0.334 0.000 0.903 953 L HN 0.239 nan 8.230 nan 0.000 0.435 954 W N 1.229 122.565 121.300 0.060 0.000 2.436 954 W HA -0.187 4.472 4.660 -0.000 0.000 0.284 954 W C 2.467 178.926 176.519 -0.101 0.000 1.225 954 W CA 1.593 58.852 57.345 -0.144 0.000 1.271 954 W CB 0.164 29.184 29.460 -0.734 0.000 1.114 954 W HN 0.299 nan 8.180 nan 0.000 0.559 955 E N -1.207 119.065 120.200 0.119 0.000 2.112 955 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 955 E C 1.726 178.314 176.600 -0.021 0.000 0.979 955 E CA 1.418 57.848 56.400 0.050 0.000 0.814 955 E CB -1.195 28.558 29.700 0.088 0.000 0.762 955 E HN 0.226 nan 8.360 nan 0.000 0.460 956 N N 0.826 119.525 118.700 -0.001 0.000 2.142 956 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 956 N C 0.739 176.210 175.510 -0.066 0.000 1.023 956 N CA 1.221 54.258 53.050 -0.021 0.000 0.852 956 N CB -0.094 38.395 38.487 0.004 0.000 0.998 956 N HN 0.471 nan 8.380 nan 0.000 0.424 957 E N 0.871 121.012 120.200 -0.098 0.000 2.422 957 E HA 0.108 4.458 4.350 -0.000 0.000 0.260 957 E C 0.241 176.743 176.600 -0.164 0.000 1.108 957 E CA 0.052 56.381 56.400 -0.118 0.000 0.943 957 E CB -0.030 29.623 29.700 -0.078 0.000 0.961 957 E HN 0.384 nan 8.360 nan 0.000 0.443 958 T N -3.918 110.563 114.554 -0.121 0.000 2.943 958 T HA 0.533 4.883 4.350 -0.000 0.000 0.284 958 T C 1.145 175.724 174.700 -0.201 0.000 1.015 958 T CA 0.422 62.445 62.100 -0.128 0.000 1.042 958 T CB 1.106 69.947 68.868 -0.044 0.000 1.055 958 T HN 1.039 nan 8.240 nan 0.000 0.500 959 H N -0.874 118.044 119.070 -0.253 0.000 2.561 959 H HA 0.042 4.598 4.556 -0.000 0.000 0.278 959 H C 1.462 176.483 175.328 -0.511 0.000 1.014 959 H CA 1.149 56.988 56.048 -0.348 0.000 1.211 959 H CB -0.745 28.811 29.762 -0.343 0.000 1.365 959 H HN 0.841 nan 8.280 nan 0.000 0.594 960 H N 0.999 119.871 119.070 -0.331 0.000 2.660 960 H HA 0.134 4.689 4.556 -0.000 0.000 0.310 960 H C 0.274 175.334 175.328 -0.447 0.000 1.080 960 H CA 0.076 55.850 56.048 -0.456 0.000 1.145 960 H CB -0.140 29.426 29.762 -0.327 0.000 1.432 960 H HN 0.524 nan 8.280 nan 0.000 0.542 961 K N -1.693 118.395 120.400 -0.519 0.000 3.077 961 K HA -0.280 4.040 4.320 -0.000 0.000 0.264 961 K C 0.751 176.948 176.600 -0.671 0.000 1.008 961 K CA 0.841 56.514 56.287 -1.023 0.000 0.740 961 K CB -2.635 29.346 32.500 -0.865 0.000 1.273 961 K HN 0.608 nan 8.250 nan 0.000 0.477 968 V N 2.657 122.413 119.914 -0.263 0.000 2.439 968 V HA 0.613 4.733 4.120 -0.000 0.000 0.282 968 V C -0.872 174.939 176.094 -0.473 0.000 1.039 968 V CA -0.595 61.600 62.300 -0.174 0.000 0.913 968 V CB 1.014 32.873 31.823 0.059 0.000 0.983 968 V HN 0.641 nan 8.190 nan 0.000 0.460 969 H N 3.923 122.921 119.070 -0.120 0.000 2.609 969 H HA 0.317 4.873 4.556 -0.000 0.000 0.344 969 H C -0.687 174.622 175.328 -0.032 0.000 1.040 969 H CA -0.994 54.874 56.048 -0.300 0.000 1.216 969 H CB 1.742 31.342 29.762 -0.271 0.000 1.529 969 H HN 0.976 nan 8.280 nan 0.000 0.519 970 W N 1.649 123.098 121.300 0.248 0.000 2.128 970 W HA 0.432 5.092 4.660 -0.000 0.000 0.356 970 W C 0.870 177.438 176.519 0.082 0.000 0.891 970 W CA 0.044 57.485 57.345 0.161 0.000 2.408 970 W CB -0.810 28.778 29.460 0.214 0.000 1.234 970 W HN 0.630 nan 8.180 nan 0.000 0.597 971 E N 1.010 121.152 120.200 -0.096 0.000 2.070 971 E HA -0.336 4.014 4.350 -0.000 0.000 0.197 971 E C 1.762 178.343 176.600 -0.033 0.000 1.004 971 E CA 2.291 58.599 56.400 -0.154 0.000 0.805 971 E CB -0.589 28.933 29.700 -0.297 0.000 0.744 971 E HN 0.452 nan 8.360 nan 0.000 0.451 972 Q N -0.466 119.338 119.800 0.007 0.000 2.364 972 Q HA 0.049 4.389 4.340 -0.000 0.000 0.209 972 Q C 2.089 178.104 176.000 0.025 0.000 0.977 972 Q CA 0.823 56.635 55.803 0.013 0.000 0.885 972 Q CB -0.365 28.389 28.738 0.027 0.000 0.941 972 Q HN 0.695 nan 8.270 nan 0.000 0.464 973 L N -0.386 120.878 121.223 0.069 0.000 2.027 973 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 973 L C 1.939 178.807 176.870 -0.004 0.000 1.074 973 L CA 1.061 55.917 54.840 0.026 0.000 0.745 973 L CB -0.478 41.594 42.059 0.022 0.000 0.898 973 L HN 0.295 nan 8.230 nan 0.000 0.433 974 N N 0.261 118.978 118.700 0.028 0.000 2.188 974 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 974 N C 1.908 177.380 175.510 -0.063 0.000 1.018 974 N CA 1.331 54.371 53.050 -0.016 0.000 0.858 974 N CB -0.073 38.417 38.487 0.005 0.000 0.989 974 N HN 0.284 nan 8.380 nan 0.000 0.426 975 I N 0.592 121.124 120.570 -0.062 0.000 2.202 975 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 975 I C 2.263 178.308 176.117 -0.119 0.000 1.091 975 I CA 0.732 61.980 61.300 -0.087 0.000 1.368 975 I CB -0.254 37.705 38.000 -0.068 0.000 1.058 975 I HN -0.128 nan 8.210 nan 0.000 0.410 976 V N 0.691 120.545 119.914 -0.100 0.000 2.295 976 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 976 V C 2.659 178.668 176.094 -0.143 0.000 1.049 976 V CA 2.167 64.393 62.300 -0.124 0.000 1.024 976 V CB -0.962 30.798 31.823 -0.105 0.000 0.648 976 V HN 0.635 nan 8.190 nan 0.000 0.447 977 S N 0.229 115.858 115.700 -0.119 0.000 2.370 977 S HA -0.276 4.194 4.470 -0.000 0.000 0.226 977 S C 1.674 176.197 174.600 -0.129 0.000 1.033 977 S CA 1.829 59.958 58.200 -0.119 0.000 1.011 977 S CB -0.623 62.518 63.200 -0.099 0.000 0.852 977 S HN 0.569 nan 8.310 nan 0.000 0.457 978 D N 1.290 121.607 120.400 -0.138 0.000 2.178 978 D HA 0.066 4.706 4.640 -0.000 0.000 0.202 978 D C 1.853 178.041 176.300 -0.188 0.000 0.974 978 D CA 0.605 54.518 54.000 -0.144 0.000 0.841 978 D CB -0.388 40.328 40.800 -0.140 0.000 0.953 978 D HN 0.398 nan 8.370 nan 0.000 0.478 979 L N 0.149 121.205 121.223 -0.278 0.000 2.027 979 L HA -0.097 4.243 4.340 -0.000 0.000 0.206 979 L C 2.180 178.904 176.870 -0.243 0.000 1.074 979 L CA 0.965 55.517 54.840 -0.480 0.000 0.745 979 L CB -0.049 41.674 42.059 -0.560 0.000 0.898 979 L HN -0.003 nan 8.230 nan 0.000 0.433 980 L N -0.693 120.427 121.223 -0.171 0.000 2.156 980 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 980 L C 1.618 178.424 176.870 -0.107 0.000 1.095 980 L CA 0.446 55.189 54.840 -0.161 0.000 0.770 980 L CB -0.790 41.144 42.059 -0.210 0.000 0.914 980 L HN 0.378 nan 8.230 nan 0.000 0.439 981 S N -0.325 115.373 115.700 -0.003 0.000 2.661 981 S HA 0.273 4.743 4.470 -0.000 0.000 0.265 981 S C 1.290 176.113 174.600 0.372 0.000 1.225 981 S CA -0.149 58.125 58.200 0.124 0.000 0.986 981 S CB 1.274 64.472 63.200 -0.004 0.000 1.008 981 S HN 0.163 nan 8.310 nan 0.000 0.565 982 G N -0.094 108.919 108.800 0.355 0.000 2.471 982 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.219 982 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.219 982 G C 1.338 176.229 174.900 -0.015 0.000 1.125 982 G CA 0.585 45.725 45.100 0.067 0.000 0.775 982 G HN 0.816 nan 8.290 nan 0.000 0.548 983 R N -0.163 120.324 120.500 -0.021 0.000 2.206 983 R HA -0.174 4.166 4.340 -0.000 0.000 0.240 983 R C 2.391 178.663 176.300 -0.048 0.000 1.117 983 R CA 1.994 58.059 56.100 -0.059 0.000 0.915 983 R CB -0.633 29.609 30.300 -0.096 0.000 0.888 983 R HN 0.362 nan 8.270 nan 0.000 0.432 984 L N 0.164 121.345 121.223 -0.069 0.000 2.127 984 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 984 L C 2.307 179.263 176.870 0.143 0.000 1.089 984 L CA 1.720 56.541 54.840 -0.032 0.000 0.757 984 L CB -0.145 41.757 42.059 -0.262 0.000 0.899 984 L HN 0.401 nan 8.230 nan 0.000 0.434 985 S N -0.292 115.485 115.700 0.127 0.000 2.387 985 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 985 S C 1.757 176.348 174.600 -0.014 0.000 1.026 985 S CA 0.861 59.125 58.200 0.107 0.000 0.972 985 S CB -0.144 63.048 63.200 -0.013 0.000 0.814 985 S HN 0.224 nan 8.310 nan 0.000 0.477 986 I N 1.532 122.075 120.570 -0.044 0.000 2.439 986 I HA 0.018 4.188 4.170 -0.000 0.000 0.251 986 I C 2.418 178.519 176.117 -0.027 0.000 1.139 986 I CA 0.995 62.264 61.300 -0.050 0.000 1.438 986 I CB -0.229 37.738 38.000 -0.055 0.000 1.085 986 I HN 0.085 nan 8.210 nan 0.000 0.427 987 R N -0.321 120.171 120.500 -0.013 0.000 2.237 987 R HA -0.068 4.272 4.340 -0.000 0.000 0.219 987 R C 1.616 177.916 176.300 0.001 0.000 1.080 987 R CA 1.688 57.783 56.100 -0.008 0.000 0.995 987 R CB -0.226 30.069 30.300 -0.009 0.000 0.875 987 R HN 0.512 nan 8.270 nan 0.000 0.462 988 T N -4.543 110.016 114.554 0.007 0.000 3.004 988 T HA 0.170 4.520 4.350 -0.000 0.000 0.266 988 T C 0.318 174.994 174.700 -0.040 0.000 0.986 988 T CA -0.013 62.082 62.100 -0.008 0.000 0.902 988 T CB 0.513 69.386 68.868 0.008 0.000 1.118 988 T HN 0.033 nan 8.240 nan 0.000 0.522 989 T N 0.000 114.527 114.554 -0.045 0.000 3.816 989 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 989 T CA 0.000 62.063 62.100 -0.062 0.000 1.349 989 T CB 0.000 68.838 68.868 -0.050 0.000 0.612 989 T HN 0.000 nan 8.240 nan 0.000 0.658