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_G 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 1.182 121.741 120.570 -0.017 0.000 2.452 6 I HA 0.905 5.076 4.170 0.001 0.000 0.287 6 I C 1.591 177.699 176.117 -0.015 0.000 1.079 6 I CA 0.049 61.337 61.300 -0.019 0.000 1.387 6 I CB -0.427 37.557 38.000 -0.027 0.000 1.404 6 I HN 0.978 nan 8.210 nan 0.000 0.522 7 S N 2.915 118.611 115.700 -0.007 0.000 2.343 7 S HA 0.013 4.484 4.470 0.001 0.000 0.219 7 S C 1.187 175.788 174.600 0.002 0.000 1.033 7 S CA 2.097 60.298 58.200 0.002 0.000 1.014 7 S CB -0.056 63.153 63.200 0.014 0.000 0.915 7 S HN 0.922 nan 8.310 nan 0.000 0.435 8 D N -2.861 117.539 120.400 0.000 0.000 3.557 8 D HA 0.563 5.204 4.640 0.001 0.000 0.331 8 D C -1.399 174.891 176.300 -0.017 0.000 1.442 8 D CA 0.324 54.324 54.000 -0.000 0.000 0.971 8 D CB 0.591 41.404 40.800 0.021 0.000 1.423 8 D HN 0.432 nan 8.370 nan 0.000 0.604 9 L N 0.604 121.819 121.223 -0.013 0.000 2.307 9 L HA 0.611 4.951 4.340 0.001 0.000 0.284 9 L C 1.301 178.151 176.870 -0.034 0.000 1.023 9 L CA -0.212 54.602 54.840 -0.043 0.000 0.810 9 L CB 1.042 43.083 42.059 -0.030 0.000 1.231 9 L HN 0.419 nan 8.230 nan 0.000 0.423 10 S N 1.604 117.254 115.700 -0.083 0.000 2.348 10 S HA 0.382 4.852 4.470 0.001 0.000 0.219 10 S C 0.394 175.045 174.600 0.086 0.000 1.033 10 S CA 1.819 60.016 58.200 -0.005 0.000 0.974 10 S CB -0.134 63.068 63.200 0.003 0.000 0.868 10 S HN 1.560 nan 8.310 nan 0.000 0.459 11 F N -0.870 119.005 119.950 -0.126 0.000 2.807 11 F HA 0.562 5.090 4.527 0.001 0.000 0.316 11 F C -0.842 174.852 175.800 -0.178 0.000 1.162 11 F CA -0.908 56.987 58.000 -0.176 0.000 0.910 11 F CB 1.067 39.899 39.000 -0.280 0.000 1.314 11 F HN -0.062 nan 8.300 nan 0.000 0.454 12 T N -0.546 113.989 114.554 -0.032 0.000 2.823 12 T HA 0.655 5.005 4.350 0.001 0.000 0.279 12 T C -0.873 173.685 174.700 -0.237 0.000 0.998 12 T CA -0.514 61.458 62.100 -0.213 0.000 0.994 12 T CB 1.473 70.206 68.868 -0.225 0.000 0.960 12 T HN 0.987 nan 8.240 nan 0.000 0.448 13 S N 2.288 117.869 115.700 -0.198 0.000 2.454 13 S HA 0.711 5.182 4.470 0.001 0.000 0.306 13 S C -1.545 173.024 174.600 -0.053 0.000 1.100 13 S CA -0.788 57.368 58.200 -0.072 0.000 1.087 13 S CB 0.015 63.305 63.200 0.151 0.000 1.019 13 S HN 0.536 nan 8.310 nan 0.000 0.480 14 F N 4.110 124.129 119.950 0.116 0.000 2.445 14 F HA 0.459 4.987 4.527 0.001 0.000 0.348 14 F C -0.147 175.741 175.800 0.147 0.000 1.125 14 F CA -1.197 56.873 58.000 0.116 0.000 0.983 14 F CB 1.451 40.518 39.000 0.112 0.000 1.198 14 F HN 0.225 nan 8.300 nan 0.000 0.436 15 V N 2.759 122.856 119.914 0.306 0.000 2.427 15 V HA 0.898 5.019 4.120 0.001 0.000 0.286 15 V C 0.349 176.556 176.094 0.188 0.000 1.034 15 V CA -0.355 62.079 62.300 0.224 0.000 0.893 15 V CB 0.931 32.849 31.823 0.159 0.000 0.982 15 V HN 0.953 nan 8.190 nan 0.000 0.452 16 T N 0.950 115.614 114.554 0.184 0.000 2.906 16 T HA 0.442 4.792 4.350 0.001 0.000 0.295 16 T C 0.651 175.403 174.700 0.085 0.000 1.061 16 T CA -0.687 61.499 62.100 0.142 0.000 1.000 16 T CB 1.407 70.391 68.868 0.195 0.000 1.103 16 T HN 0.488 nan 8.240 nan 0.000 0.486 17 N N 0.303 119.039 118.700 0.059 0.000 2.439 17 N HA -0.017 4.724 4.740 0.001 0.000 0.176 17 N C -0.432 175.092 175.510 0.024 0.000 1.029 17 N CA 0.253 53.320 53.050 0.029 0.000 0.886 17 N CB 0.405 38.907 38.487 0.025 0.000 1.057 17 N HN 0.683 nan 8.380 nan 0.000 0.437 18 D N 0.976 121.405 120.400 0.048 0.000 2.317 18 D HA 0.008 4.649 4.640 0.001 0.000 0.252 18 D C 0.476 176.832 176.300 0.093 0.000 1.174 18 D CA -0.059 53.974 54.000 0.055 0.000 0.866 18 D CB 1.277 42.109 40.800 0.054 0.000 1.127 18 D HN 0.137 nan 8.370 nan 0.000 0.467 19 D N 2.902 123.343 120.400 0.068 0.000 2.144 19 D HA -0.160 4.481 4.640 0.001 0.000 0.200 19 D C 1.168 177.579 176.300 0.185 0.000 0.978 19 D CA 0.962 55.027 54.000 0.108 0.000 0.833 19 D CB 0.269 41.090 40.800 0.036 0.000 0.961 19 D HN 0.293 nan 8.370 nan 0.000 0.470 20 N N 0.185 118.955 118.700 0.117 0.000 2.166 20 N HA -0.133 4.607 4.740 0.001 0.000 0.186 20 N C 1.973 177.550 175.510 0.112 0.000 1.019 20 N CA 0.627 53.738 53.050 0.102 0.000 0.856 20 N CB -0.303 38.222 38.487 0.062 0.000 0.993 20 N HN 0.339 nan 8.380 nan 0.000 0.426 21 L N -0.262 121.029 121.223 0.114 0.000 2.093 21 L HA -0.097 4.243 4.340 0.001 0.000 0.208 21 L C 2.249 179.213 176.870 0.155 0.000 1.085 21 L CA 0.743 55.642 54.840 0.099 0.000 0.755 21 L CB -0.342 41.765 42.059 0.080 0.000 0.904 21 L HN 0.036 nan 8.230 nan 0.000 0.435 22 F N 1.176 121.169 119.950 0.071 0.000 2.069 22 F HA -0.281 4.246 4.527 0.001 0.000 0.298 22 F C 2.456 178.346 175.800 0.150 0.000 1.113 22 F CA 2.018 60.082 58.000 0.106 0.000 1.214 22 F CB -0.047 39.000 39.000 0.078 0.000 0.978 22 F HN -0.030 nan 8.300 nan 0.000 0.474 23 E N 0.388 120.689 120.200 0.168 0.000 2.110 23 E HA -0.188 4.163 4.350 0.001 0.000 0.193 23 E C 2.072 178.759 176.600 0.144 0.000 0.988 23 E CA 1.635 58.104 56.400 0.115 0.000 0.804 23 E CB -0.211 29.601 29.700 0.187 0.000 0.745 23 E HN 0.578 nan 8.360 nan 0.000 0.458 24 E N -1.027 119.235 120.200 0.103 0.000 2.204 24 E HA -0.112 4.239 4.350 0.001 0.000 0.194 24 E C 1.744 178.376 176.600 0.053 0.000 0.989 24 E CA 1.398 57.840 56.400 0.070 0.000 0.824 24 E CB 0.097 29.818 29.700 0.035 0.000 0.756 24 E HN 0.220 nan 8.360 nan 0.000 0.477 25 T N 0.698 115.280 114.554 0.047 0.000 2.812 25 T HA -0.117 4.233 4.350 0.001 0.000 0.264 25 T C 1.466 176.287 174.700 0.202 0.000 1.042 25 T CA 0.765 62.907 62.100 0.071 0.000 1.140 25 T CB -0.309 68.618 68.868 0.099 0.000 0.870 25 T HN 0.198 nan 8.240 nan 0.000 0.445 26 F N 2.869 122.792 119.950 -0.045 0.000 2.069 26 F HA -0.145 4.383 4.527 0.001 0.000 0.298 26 F C 1.811 177.635 175.800 0.039 0.000 1.113 26 F CA 1.478 59.447 58.000 -0.052 0.000 1.214 26 F CB -0.818 38.035 39.000 -0.245 0.000 0.978 26 F HN 0.120 nan 8.300 nan 0.000 0.474 27 N N -0.697 117.921 118.700 -0.136 0.000 2.289 27 N HA -0.196 4.545 4.740 0.001 0.000 0.184 27 N C 1.793 177.229 175.510 -0.123 0.000 1.016 27 N CA 1.218 54.140 53.050 -0.213 0.000 0.872 27 N CB -0.451 38.021 38.487 -0.025 0.000 0.973 27 N HN 0.413 nan 8.380 nan 0.000 0.433 28 F N 0.678 120.502 119.950 -0.210 0.000 2.075 28 F HA -0.180 4.348 4.527 0.001 0.000 0.297 28 F C 1.511 177.128 175.800 -0.305 0.000 1.113 28 F CA 1.371 59.203 58.000 -0.278 0.000 1.218 28 F CB -0.337 38.431 39.000 -0.387 0.000 0.984 28 F HN 0.003 nan 8.300 nan 0.000 0.472 29 Y N 0.400 120.638 120.300 -0.104 0.000 2.373 29 Y HA -0.096 4.455 4.550 0.001 0.000 0.293 29 Y C 2.614 178.440 175.900 -0.123 0.000 1.129 29 Y CA 1.462 59.439 58.100 -0.205 0.000 1.226 29 Y CB -1.317 36.918 38.460 -0.376 0.000 1.000 29 Y HN 0.028 nan 8.280 nan 0.000 0.549 30 T N -0.036 114.433 114.554 -0.143 0.000 2.746 30 T HA -0.189 4.161 4.350 0.001 0.000 0.267 30 T C 1.748 176.338 174.700 -0.183 0.000 1.039 30 T CA 1.638 63.590 62.100 -0.246 0.000 1.142 30 T CB -0.174 68.383 68.868 -0.518 0.000 0.866 30 T HN 0.290 nan 8.240 nan 0.000 0.444 31 K N 0.602 120.889 120.400 -0.189 0.000 2.288 31 K HA 0.140 4.461 4.320 0.001 0.000 0.201 31 K C 1.633 178.141 176.600 -0.154 0.000 1.048 31 K CA 0.672 56.860 56.287 -0.165 0.000 0.956 31 K CB -0.101 32.297 32.500 -0.170 0.000 0.746 31 K HN 0.297 nan 8.250 nan 0.000 0.461 32 L N -0.323 120.809 121.223 -0.152 0.000 2.612 32 L HA 0.141 4.481 4.340 0.001 0.000 0.230 32 L C 0.839 177.714 176.870 0.008 0.000 1.140 32 L CA 0.158 54.952 54.840 -0.078 0.000 0.896 32 L CB 0.286 42.273 42.059 -0.119 0.000 1.065 32 L HN 0.428 nan 8.230 nan 0.000 0.447 33 G N -0.860 107.916 108.800 -0.039 0.000 2.163 33 G HA2 -0.255 3.705 3.960 0.001 0.000 0.213 33 G HA3 -0.255 3.705 3.960 0.001 0.000 0.213 33 G C 0.030 174.813 174.900 -0.196 0.000 0.991 33 G CA -0.670 44.362 45.100 -0.113 0.000 0.653 33 G HN 0.135 nan 8.290 nan 0.000 0.518 34 F N 1.795 121.651 119.950 -0.157 0.000 2.375 34 F HA 0.624 5.152 4.527 0.001 0.000 0.333 34 F C 1.059 176.707 175.800 -0.253 0.000 1.104 34 F CA -0.240 57.697 58.000 -0.105 0.000 1.149 34 F CB 0.941 39.910 39.000 -0.052 0.000 1.190 34 F HN 0.055 nan 8.300 nan 0.000 0.533 35 H N 1.431 120.638 119.070 0.227 0.000 2.609 35 H HA 0.466 5.023 4.556 0.001 0.000 0.344 35 H C -0.686 174.792 175.328 0.251 0.000 1.040 35 H CA -0.992 55.196 56.048 0.233 0.000 1.216 35 H CB 1.741 31.706 29.762 0.339 0.000 1.529 35 H HN 0.694 nan 8.280 nan 0.000 0.519 36 A N 2.806 125.837 122.820 0.352 0.000 2.395 36 A HA 0.182 4.503 4.320 0.001 0.000 0.286 36 A C 1.008 178.760 177.584 0.280 0.000 1.193 36 A CA -0.227 52.010 52.037 0.333 0.000 0.852 36 A CB -0.076 19.153 19.000 0.383 0.000 1.118 36 A HN 0.790 nan 8.150 nan 0.000 0.524 37 T N 1.700 116.408 114.554 0.257 0.000 3.031 37 T HA 0.139 4.490 4.350 0.001 0.000 0.254 37 T C 0.954 175.745 174.700 0.151 0.000 1.060 37 T CA 0.753 62.987 62.100 0.224 0.000 1.135 37 T CB 0.044 69.050 68.868 0.229 0.000 0.896 37 T HN 0.655 nan 8.240 nan 0.000 0.472 38 R N 1.427 122.003 120.500 0.126 0.000 2.604 38 R HA 0.498 4.839 4.340 0.001 0.000 0.281 38 R C -1.522 174.705 176.300 -0.123 0.000 1.020 38 R CA -0.375 55.690 56.100 -0.058 0.000 0.899 38 R CB 1.690 31.839 30.300 -0.252 0.000 1.205 38 R HN 0.274 nan 8.270 nan 0.000 0.450 39 S N 2.496 118.115 115.700 -0.136 0.000 2.548 39 S HA 0.560 5.030 4.470 0.001 0.000 0.286 39 S C -1.478 173.077 174.600 -0.075 0.000 1.098 39 S CA -0.709 57.435 58.200 -0.094 0.000 0.930 39 S CB 1.813 64.985 63.200 -0.046 0.000 1.070 39 S HN 0.588 nan 8.310 nan 0.000 0.480 40 Y N 1.135 121.330 120.300 -0.174 0.000 2.524 40 Y HA 0.789 5.340 4.550 0.001 0.000 0.347 40 Y C -1.332 174.506 175.900 -0.104 0.000 1.005 40 Y CA -0.867 57.140 58.100 -0.155 0.000 1.025 40 Y CB 1.773 40.117 38.460 -0.192 0.000 1.275 40 Y HN 0.903 nan 8.280 nan 0.000 0.460 41 V N 3.473 122.694 119.914 -1.154 0.000 3.178 41 V HA 0.682 4.803 4.120 0.001 0.000 0.302 41 V C -0.379 175.129 176.094 -0.977 0.000 1.262 41 V CA -0.260 61.546 62.300 -0.824 0.000 1.030 41 V CB 1.536 33.129 31.823 -0.383 0.000 1.074 41 V HN 1.158 nan 8.190 nan 0.000 0.438 45 R N 0.527 121.026 120.500 -0.002 0.000 2.280 45 R HA 0.311 4.652 4.340 0.001 0.000 0.195 45 R C 2.056 178.365 176.300 0.014 0.000 0.935 45 R CA 1.322 57.428 56.100 0.011 0.000 1.033 45 R CB -1.163 29.141 30.300 0.007 0.000 0.964 45 R HN 0.668 nan 8.270 nan 0.000 0.489 46 S N 1.077 116.781 115.700 0.006 0.000 2.402 46 S HA -0.045 4.426 4.470 0.001 0.000 0.229 46 S C 1.047 175.656 174.600 0.015 0.000 1.021 46 S CA 0.572 58.775 58.200 0.005 0.000 0.974 46 S CB -0.137 63.061 63.200 -0.004 0.000 0.800 46 S HN 0.603 nan 8.310 nan 0.000 0.484 47 D N 0.498 120.917 120.400 0.033 0.000 2.533 47 D HA 0.280 4.921 4.640 0.001 0.000 0.236 47 D C -0.148 176.190 176.300 0.062 0.000 1.137 47 D CA 0.646 54.690 54.000 0.074 0.000 0.867 47 D CB 0.180 41.084 40.800 0.172 0.000 1.170 47 D HN 0.292 nan 8.370 nan 0.000 0.474 48 F N 0.305 120.266 119.950 0.018 0.000 2.412 48 F HA 0.511 5.038 4.527 0.001 0.000 0.348 48 F C 0.899 176.649 175.800 -0.084 0.000 1.102 48 F CA -0.830 57.153 58.000 -0.027 0.000 1.196 48 F CB 0.237 39.212 39.000 -0.041 0.000 1.144 48 F HN 0.484 nan 8.300 nan 0.000 0.541 49 E N 1.068 121.211 120.200 -0.095 0.000 2.145 49 E HA 0.723 5.073 4.350 0.001 0.000 0.270 49 E C 0.034 176.577 176.600 -0.095 0.000 0.906 49 E CA 0.130 56.433 56.400 -0.163 0.000 0.761 49 E CB 0.855 30.463 29.700 -0.153 0.000 1.116 49 E HN 2.387 nan 8.360 nan 0.000 0.408 50 L N 0.085 121.258 121.223 -0.084 0.000 2.806 50 L HA 0.883 5.223 4.340 0.001 0.000 0.242 50 L C 1.596 178.523 176.870 0.094 0.000 1.068 50 L CA 1.541 56.401 54.840 0.034 0.000 0.923 50 L CB -0.685 41.438 42.059 0.106 0.000 1.364 50 L HN 1.205 nan 8.230 nan 0.000 0.511 51 T N -1.970 112.642 114.554 0.098 0.000 2.916 51 T HA 0.661 5.011 4.350 0.001 0.000 0.298 51 T C 0.475 175.172 174.700 -0.005 0.000 1.031 51 T CA 0.029 62.219 62.100 0.151 0.000 0.993 51 T CB 1.497 70.602 68.868 0.394 0.000 1.045 51 T HN 1.407 nan 8.240 nan 0.000 0.454 52 G N -0.383 108.410 108.800 -0.011 0.000 4.406 52 G HA2 0.616 4.577 3.960 0.001 0.000 0.212 52 G HA3 0.616 4.577 3.960 0.001 0.000 0.212 52 G C -0.049 174.848 174.900 -0.003 0.000 0.941 52 G CA 0.730 45.789 45.100 -0.067 0.000 0.821 52 G HN 2.052 nan 8.290 nan 0.000 0.429 53 I N 0.344 120.934 120.570 0.033 0.000 2.752 53 I HA 0.834 5.005 4.170 0.001 0.000 0.290 53 I C -0.240 175.910 176.117 0.055 0.000 1.507 53 I CA -0.472 60.852 61.300 0.039 0.000 1.038 53 I CB 1.210 39.224 38.000 0.023 0.000 1.390 53 I HN 0.892 nan 8.210 nan 0.000 0.435 57 S N -0.664 115.067 115.700 0.052 0.000 2.532 57 S HA 0.680 5.151 4.470 0.001 0.000 0.299 57 S C 0.991 175.658 174.600 0.111 0.000 1.105 57 S CA 0.054 58.292 58.200 0.064 0.000 1.018 57 S CB 0.444 63.693 63.200 0.081 0.000 1.021 57 S HN 1.488 nan 8.310 nan 0.000 0.483 58 I N -0.985 119.597 120.570 0.021 0.000 2.480 58 I HA 0.398 4.569 4.170 0.001 0.000 0.251 58 I C 0.779 176.845 176.117 -0.085 0.000 1.124 58 I CA 0.586 61.871 61.300 -0.025 0.000 1.444 58 I CB -0.365 37.586 38.000 -0.082 0.000 1.098 58 I HN 0.549 nan 8.210 nan 0.000 0.428 59 K N 1.382 121.701 120.400 -0.135 0.000 2.469 59 K HA 0.772 5.093 4.320 0.001 0.000 0.254 59 K C -0.980 175.596 176.600 -0.040 0.000 0.939 59 K CA -0.653 55.532 56.287 -0.169 0.000 0.812 59 K CB 1.466 33.743 32.500 -0.371 0.000 1.301 59 K HN 0.375 nan 8.250 nan 0.000 0.433 60 E N 0.985 121.277 120.200 0.154 0.000 2.307 60 E HA 0.425 4.775 4.350 0.001 0.000 0.280 60 E C -1.408 175.338 176.600 0.244 0.000 0.900 60 E CA -0.578 55.986 56.400 0.273 0.000 0.790 60 E CB 1.822 31.659 29.700 0.228 0.000 1.261 60 E HN 0.562 nan 8.360 nan 0.000 0.405 61 I N 2.635 123.431 120.570 0.377 0.000 2.418 61 I HA 0.328 4.498 4.170 0.001 0.000 0.287 61 I C -0.994 175.375 176.117 0.420 0.000 1.008 61 I CA -0.717 60.734 61.300 0.251 0.000 1.104 61 I CB 1.034 39.087 38.000 0.088 0.000 1.264 61 I HN 0.344 nan 8.210 nan 0.000 0.438 62 W N 7.797 129.123 121.300 0.043 0.000 2.311 62 W HA 0.496 5.157 4.660 0.001 0.000 0.317 62 W C -0.565 175.971 176.519 0.028 0.000 1.065 62 W CA -0.952 56.379 57.345 -0.022 0.000 1.364 62 W CB 0.375 29.788 29.460 -0.078 0.000 1.233 62 W HN 0.192 nan 8.180 nan 0.000 0.409 63 L N 2.983 124.327 121.223 0.202 0.000 2.325 63 L HA 0.515 4.855 4.340 0.001 0.000 0.279 63 L C 0.150 177.156 176.870 0.226 0.000 1.054 63 L CA -0.800 54.179 54.840 0.231 0.000 0.804 63 L CB 1.458 43.610 42.059 0.156 0.000 1.200 63 L HN 0.255 nan 8.230 nan 0.000 0.436 64 E N 1.312 121.620 120.200 0.179 0.000 2.246 64 E HA 0.276 4.627 4.350 0.001 0.000 0.266 64 E C -1.355 175.008 176.600 -0.396 0.000 0.880 64 E CA -0.355 55.925 56.400 -0.200 0.000 0.762 64 E CB 2.071 31.387 29.700 -0.640 0.000 1.180 64 E HN 0.353 nan 8.360 nan 0.000 0.416 65 S N 5.297 120.584 115.700 -0.688 0.000 2.466 65 S HA 0.354 4.824 4.470 0.001 0.000 0.313 65 S C -0.736 173.626 174.600 -0.397 0.000 1.078 65 S CA -0.607 57.151 58.200 -0.735 0.000 1.115 65 S CB -0.478 61.950 63.200 -1.288 0.000 1.006 65 S HN 0.454 nan 8.310 nan 0.000 0.487 66 F N 4.488 124.339 119.950 -0.165 0.000 2.629 66 F HA 0.161 4.688 4.527 0.001 0.000 0.369 66 F C -1.226 174.513 175.800 -0.101 0.000 1.125 66 F CA -1.008 56.920 58.000 -0.120 0.000 1.330 66 F CB -0.285 38.633 39.000 -0.136 0.000 1.071 66 F HN 0.398 nan 8.300 nan 0.000 0.595 67 P HA 0.103 nan 4.420 nan 0.000 0.271 67 P C -0.760 176.568 177.300 0.047 0.000 1.233 67 P CA -0.322 62.808 63.100 0.051 0.000 0.789 67 P CB 0.468 32.196 31.700 0.047 0.000 0.951 68 L N 0.904 122.147 121.223 0.033 0.000 2.265 68 L HA 0.323 4.664 4.340 0.001 0.000 0.288 68 L C 0.502 177.374 176.870 0.005 0.000 1.058 68 L CA -0.151 54.700 54.840 0.018 0.000 0.809 68 L CB 0.691 42.764 42.059 0.022 0.000 1.179 68 L HN 0.441 nan 8.230 nan 0.000 0.429 69 S N 0.662 116.356 115.700 -0.009 0.000 2.689 69 S HA 0.375 4.846 4.470 0.001 0.000 0.306 69 S C -0.415 174.173 174.600 -0.020 0.000 1.104 69 S CA -1.076 57.113 58.200 -0.019 0.000 0.973 69 S CB 1.591 64.772 63.200 -0.031 0.000 1.121 69 S HN 0.631 nan 8.310 nan 0.000 0.523 70 E N 0.546 120.734 120.200 -0.020 0.000 1.775 70 E HA 0.334 4.684 4.350 0.001 0.000 0.266 70 E C -0.595 175.992 176.600 -0.022 0.000 1.191 70 E CA -0.643 55.747 56.400 -0.016 0.000 1.048 70 E CB -0.363 29.333 29.700 -0.008 0.000 1.081 70 E HN 0.292 nan 8.360 nan 0.000 0.434 71 V N 3.837 123.737 119.914 -0.023 0.000 2.790 71 V HA -0.126 3.994 4.120 0.001 0.000 0.304 71 V C 0.373 176.453 176.094 -0.024 0.000 1.142 71 V CA 0.377 62.661 62.300 -0.027 0.000 1.282 71 V CB 0.616 32.423 31.823 -0.026 0.000 0.877 71 V HN 0.572 nan 8.190 nan 0.000 0.504 72 V N 6.365 126.262 119.914 -0.028 0.000 2.432 72 V HA 0.171 4.292 4.120 0.001 0.000 0.275 72 V C 0.924 177.005 176.094 -0.022 0.000 1.043 72 V CA -0.308 61.977 62.300 -0.025 0.000 0.925 72 V CB 1.326 33.131 31.823 -0.030 0.000 0.985 72 V HN 1.018 nan 8.190 nan 0.000 0.466 73 E N 3.345 123.535 120.200 -0.017 0.000 2.013 73 E HA -0.108 4.242 4.350 0.001 0.000 0.202 73 E C 1.242 177.833 176.600 -0.016 0.000 1.018 73 E CA 1.773 58.164 56.400 -0.015 0.000 0.834 73 E CB -0.254 29.439 29.700 -0.011 0.000 0.770 73 E HN 0.887 nan 8.360 nan 0.000 0.459 78 R N 0.342 120.836 120.500 -0.010 0.000 2.240 78 R HA 0.501 4.842 4.340 0.001 0.000 0.123 78 R C 0.604 176.897 176.300 -0.012 0.000 0.659 78 R CA -0.097 55.996 56.100 -0.011 0.000 1.732 78 R CB 0.154 30.447 30.300 -0.012 0.000 0.775 78 R HN 0.471 nan 8.270 nan 0.000 0.653 79 E N 0.664 120.855 120.200 -0.014 0.000 2.191 79 E HA 0.207 4.557 4.350 0.001 0.000 0.274 79 E C -0.657 175.932 176.600 -0.019 0.000 0.948 79 E CA -0.556 55.835 56.400 -0.015 0.000 0.802 79 E CB 1.244 30.935 29.700 -0.015 0.000 1.137 79 E HN 0.235 nan 8.360 nan 0.000 0.397 80 L N 2.505 123.716 121.223 -0.019 0.000 2.559 80 L HA 0.125 4.466 4.340 0.001 0.000 0.274 80 L C 0.852 177.704 176.870 -0.030 0.000 1.205 80 L CA 0.568 55.394 54.840 -0.023 0.000 0.907 80 L CB -0.211 41.836 42.059 -0.020 0.000 1.153 80 L HN 0.480 nan 8.230 nan 0.000 0.490 81 R N 2.420 122.899 120.500 -0.035 0.000 2.807 81 R HA 0.787 5.128 4.340 0.001 0.000 0.276 81 R C -0.119 176.150 176.300 -0.052 0.000 0.979 81 R CA -0.366 55.706 56.100 -0.047 0.000 0.928 81 R CB 0.556 30.828 30.300 -0.047 0.000 1.191 81 R HN 0.590 nan 8.270 nan 0.000 0.471 82 K N 2.961 123.321 120.400 -0.067 0.000 2.414 82 K HA 0.400 4.720 4.320 0.001 0.000 0.272 82 K C -1.716 174.844 176.600 -0.067 0.000 0.993 82 K CA -0.346 55.897 56.287 -0.072 0.000 0.964 82 K CB -0.337 32.103 32.500 -0.100 0.000 0.925 82 K HN 0.772 nan 8.250 nan 0.000 0.487 83 P HA 0.436 nan 4.420 nan 0.000 0.333 83 P C -0.453 176.798 177.300 -0.081 0.000 1.315 83 P CA -0.443 62.620 63.100 -0.061 0.000 0.746 83 P CB 0.426 32.095 31.700 -0.051 0.000 1.575 84 L N -1.751 119.416 121.223 -0.092 0.000 2.426 84 L HA 0.325 4.665 4.340 0.001 0.000 0.260 84 L C 0.711 177.468 176.870 -0.189 0.000 1.233 84 L CA -0.401 54.363 54.840 -0.126 0.000 1.267 84 L CB -0.600 41.395 42.059 -0.107 0.000 1.814 84 L HN 0.218 nan 8.230 nan 0.000 0.561 85 Q N 0.678 120.301 119.800 -0.295 0.000 2.819 85 Q HA 0.271 4.612 4.340 0.001 0.000 0.392 85 Q C -0.147 175.662 176.000 -0.318 0.000 1.088 85 Q CA 0.096 55.565 55.803 -0.556 0.000 1.062 85 Q CB 0.507 28.485 28.738 -1.267 0.000 1.369 85 Q HN 0.563 nan 8.270 nan 0.000 0.434 86 E N -0.419 119.700 120.200 -0.134 0.000 2.601 86 E HA 0.069 4.419 4.350 0.001 0.000 0.219 86 E C 0.083 176.681 176.600 -0.003 0.000 0.964 86 E CA -0.079 56.298 56.400 -0.037 0.000 1.050 86 E CB 0.802 30.478 29.700 -0.040 0.000 1.068 86 E HN 0.277 nan 8.360 nan 0.000 0.496 87 S N 0.466 116.159 115.700 -0.011 0.000 2.587 87 S HA -0.019 4.451 4.470 0.001 0.000 0.260 87 S C 1.893 176.537 174.600 0.073 0.000 1.353 87 S CA -0.191 58.022 58.200 0.022 0.000 0.995 87 S CB 0.919 64.126 63.200 0.012 0.000 0.912 87 S HN 0.053 nan 8.310 nan 0.000 0.568 88 V N -0.855 119.094 119.914 0.059 0.000 2.215 88 V HA -0.025 4.096 4.120 0.001 0.000 0.249 88 V C 1.841 177.989 176.094 0.091 0.000 1.054 88 V CA 1.850 64.188 62.300 0.063 0.000 1.012 88 V CB -1.840 30.009 31.823 0.043 0.000 0.639 88 V HN 1.062 nan 8.190 nan 0.000 0.448 89 G N -1.835 107.032 108.800 0.111 0.000 3.707 89 G HA2 0.219 4.180 3.960 0.001 0.000 0.286 89 G HA3 0.219 4.180 3.960 0.001 0.000 0.286 89 G C -0.054 174.953 174.900 0.178 0.000 1.112 89 G CA -0.319 44.864 45.100 0.137 0.000 0.861 89 G HN 0.544 nan 8.290 nan 0.000 0.534 90 Y N 1.864 122.205 120.300 0.068 0.000 2.537 90 Y HA 0.298 4.849 4.550 0.001 0.000 0.339 90 Y C 0.136 176.091 175.900 0.092 0.000 1.066 90 Y CA -0.243 57.900 58.100 0.071 0.000 1.357 90 Y CB 0.459 38.938 38.460 0.033 0.000 1.175 90 Y HN 0.184 nan 8.280 nan 0.000 0.525 91 E N 4.233 124.164 120.200 -0.448 0.000 2.145 91 E HA 0.174 4.524 4.350 0.001 0.000 0.262 91 E C -0.719 175.559 176.600 -0.538 0.000 0.883 91 E CA -0.628 55.590 56.400 -0.304 0.000 0.748 91 E CB 1.339 30.968 29.700 -0.119 0.000 1.140 91 E HN 0.497 nan 8.360 nan 0.000 0.417 92 S N 2.753 118.248 115.700 -0.341 0.000 2.533 92 S HA 0.036 4.507 4.470 0.001 0.000 0.282 92 S C -0.047 174.507 174.600 -0.078 0.000 1.304 92 S CA 0.118 58.229 58.200 -0.149 0.000 1.063 92 S CB 0.381 63.641 63.200 0.100 0.000 0.881 92 S HN 0.372 nan 8.310 nan 0.000 0.493 93 E N 1.796 121.973 120.200 -0.038 0.000 2.518 93 E HA 0.541 4.892 4.350 0.001 0.000 0.248 93 E C 1.179 177.793 176.600 0.024 0.000 1.028 93 E CA -0.581 55.814 56.400 -0.008 0.000 0.922 93 E CB 0.490 30.187 29.700 -0.004 0.000 1.299 93 E HN 0.607 nan 8.360 nan 0.000 0.457 94 A N 0.237 123.070 122.820 0.022 0.000 1.933 94 A HA -0.075 4.246 4.320 0.001 0.000 0.218 94 A C 1.464 179.071 177.584 0.039 0.000 1.175 94 A CA 1.284 53.338 52.037 0.028 0.000 0.628 94 A CB -0.340 18.672 19.000 0.020 0.000 0.814 94 A HN 0.443 nan 8.150 nan 0.000 0.444 95 L N -1.579 119.670 121.223 0.043 0.000 2.600 95 L HA 0.394 4.734 4.340 0.001 0.000 0.179 95 L C -0.191 176.725 176.870 0.077 0.000 1.609 95 L CA -0.550 54.323 54.840 0.055 0.000 3.107 95 L CB 0.004 42.093 42.059 0.051 0.000 2.940 95 L HN 0.259 nan 8.230 nan 0.000 0.916 96 L N -0.551 120.727 121.223 0.091 0.000 2.375 96 L HA 0.455 4.796 4.340 0.001 0.000 0.268 96 L C 0.625 177.565 176.870 0.117 0.000 1.058 96 L CA -0.294 54.631 54.840 0.142 0.000 0.803 96 L CB 1.034 43.180 42.059 0.144 0.000 1.212 96 L HN 0.375 nan 8.230 nan 0.000 0.451 97 G N -0.950 107.931 108.800 0.134 0.000 2.624 97 G HA2 0.234 4.194 3.960 0.001 0.000 0.217 97 G HA3 0.234 4.194 3.960 0.001 0.000 0.217 97 G C -1.432 173.403 174.900 -0.108 0.000 1.506 97 G CA 0.157 45.133 45.100 -0.207 0.000 1.072 97 G HN 0.481 nan 8.290 nan 0.000 0.568 101 Y N 0.480 120.778 120.300 -0.005 0.000 2.530 101 Y HA 0.638 5.189 4.550 0.001 0.000 0.340 101 Y C 0.934 176.891 175.900 0.095 0.000 1.247 101 Y CA 0.450 58.597 58.100 0.078 0.000 1.727 101 Y CB -0.857 37.739 38.460 0.227 0.000 1.613 101 Y HN 1.322 nan 8.280 nan 0.000 0.464 105 G N -1.004 107.765 108.800 -0.052 0.000 2.379 105 G HA2 0.889 4.849 3.960 0.001 0.000 0.327 105 G HA3 0.889 4.849 3.960 0.001 0.000 0.327 105 G C -0.413 174.446 174.900 -0.068 0.000 1.145 105 G CA 0.084 45.163 45.100 -0.035 0.000 0.905 105 G HN 1.768 nan 8.290 nan 0.000 0.466 106 V N 2.209 122.030 119.914 -0.154 0.000 2.409 106 V HA 0.612 4.733 4.120 0.001 0.000 0.290 106 V C -0.062 175.825 176.094 -0.344 0.000 1.017 106 V CA -0.963 61.120 62.300 -0.361 0.000 0.841 106 V CB 1.897 33.307 31.823 -0.689 0.000 1.003 106 V HN 0.560 nan 8.190 nan 0.000 0.426 107 V N 6.804 126.504 119.914 -0.356 0.000 2.427 107 V HA 0.386 4.506 4.120 0.001 0.000 0.268 107 V C 0.229 176.282 176.094 -0.069 0.000 1.046 107 V CA -0.014 62.068 62.300 -0.364 0.000 0.970 107 V CB 0.841 32.132 31.823 -0.887 0.000 1.001 107 V HN 0.690 nan 8.190 nan 0.000 0.476 108 I N 6.410 127.061 120.570 0.134 0.000 2.312 108 I HA 0.430 4.601 4.170 0.001 0.000 0.290 108 I C 0.130 176.525 176.117 0.463 0.000 1.008 108 I CA -0.452 61.012 61.300 0.274 0.000 1.226 108 I CB 0.834 38.955 38.000 0.201 0.000 1.371 108 I HN 0.477 nan 8.210 nan 0.000 0.468 109 K N 6.270 126.916 120.400 0.410 0.000 2.221 109 K HA 0.636 4.957 4.320 0.001 0.000 0.258 109 K C -1.206 175.529 176.600 0.224 0.000 0.944 109 K CA -0.911 55.566 56.287 0.316 0.000 0.823 109 K CB 2.751 35.386 32.500 0.226 0.000 1.113 109 K HN 0.322 nan 8.250 nan 0.000 0.431 110 L N 2.291 123.497 121.223 -0.029 0.000 2.342 110 L HA 0.434 4.774 4.340 0.001 0.000 0.276 110 L C -0.106 176.696 176.870 -0.113 0.000 0.997 110 L CA -0.013 54.689 54.840 -0.230 0.000 0.838 110 L CB 1.046 42.572 42.059 -0.888 0.000 1.224 110 L HN 0.747 nan 8.230 nan 0.000 0.416 111 R N 3.430 123.908 120.500 -0.036 0.000 2.649 111 R HA 0.539 4.879 4.340 0.001 0.000 0.270 111 R C -0.020 176.260 176.300 -0.033 0.000 1.105 111 R CA -0.018 56.075 56.100 -0.012 0.000 1.193 111 R CB -0.016 30.295 30.300 0.018 0.000 1.120 111 R HN 0.779 nan 8.270 nan 0.000 0.561 112 L N -0.044 121.169 121.223 -0.017 0.000 2.367 112 L HA 0.055 4.395 4.340 0.001 0.000 0.215 112 L C 2.064 178.924 176.870 -0.015 0.000 1.197 112 L CA 1.232 56.060 54.840 -0.020 0.000 0.836 112 L CB 0.490 42.544 42.059 -0.008 0.000 1.242 112 L HN 0.888 nan 8.230 nan 0.000 0.553 113 S N -0.473 115.219 115.700 -0.013 0.000 2.370 113 S HA -0.107 4.364 4.470 0.001 0.000 0.226 113 S C 0.486 175.085 174.600 -0.001 0.000 1.033 113 S CA 1.268 59.463 58.200 -0.007 0.000 1.011 113 S CB -0.708 62.488 63.200 -0.007 0.000 0.852 113 S HN 0.760 nan 8.310 nan 0.000 0.457 119 K N 0.808 121.220 120.400 0.019 0.000 2.580 119 K HA 0.590 4.910 4.320 0.001 0.000 0.258 119 K C -1.056 175.558 176.600 0.024 0.000 0.936 119 K CA -0.030 56.273 56.287 0.025 0.000 0.852 119 K CB 0.414 32.931 32.500 0.028 0.000 1.329 119 K HN 0.456 nan 8.250 nan 0.000 0.430 120 N N 0.913 119.629 118.700 0.028 0.000 2.424 120 N HA 0.164 4.904 4.740 0.001 0.000 0.257 120 N C -0.490 175.035 175.510 0.025 0.000 1.250 120 N CA -0.415 52.650 53.050 0.025 0.000 0.946 120 N CB 0.653 39.156 38.487 0.026 0.000 1.175 120 N HN 0.670 nan 8.380 nan 0.000 0.477 121 N N -0.237 118.475 118.700 0.020 0.000 2.529 121 N HA 0.120 4.860 4.740 0.001 0.000 0.278 121 N C -0.753 174.768 175.510 0.019 0.000 1.146 121 N CA -0.023 53.037 53.050 0.017 0.000 0.980 121 N CB 0.589 39.082 38.487 0.011 0.000 1.124 121 N HN 0.548 nan 8.380 nan 0.000 0.458 122 D N 1.586 121.995 120.400 0.016 0.000 2.417 122 D HA 0.249 4.889 4.640 0.001 0.000 0.250 122 D C 0.256 176.562 176.300 0.010 0.000 1.166 122 D CA 0.009 54.019 54.000 0.017 0.000 0.881 122 D CB 0.196 40.999 40.800 0.004 0.000 1.164 122 D HN 0.329 nan 8.370 nan 0.000 0.467 123 L N 2.366 123.599 121.223 0.017 0.000 2.469 123 L HA 0.615 4.956 4.340 0.001 0.000 0.253 123 L C 0.565 177.440 176.870 0.007 0.000 1.143 123 L CA -0.072 54.775 54.840 0.011 0.000 0.804 123 L CB 1.223 43.291 42.059 0.015 0.000 1.214 123 L HN 0.496 nan 8.230 nan 0.000 0.476 124 P HA 0.208 nan 4.420 nan 0.000 0.234 124 P C 0.524 177.823 177.300 -0.001 0.000 1.175 124 P CA 0.697 63.796 63.100 -0.002 0.000 0.801 124 P CB -0.153 31.545 31.700 -0.003 0.000 0.891 125 G N -0.140 108.663 108.800 0.005 0.000 2.647 125 G HA2 0.346 4.306 3.960 0.001 0.000 0.234 125 G HA3 0.346 4.306 3.960 0.001 0.000 0.234 125 G C -0.186 174.720 174.900 0.010 0.000 1.252 125 G CA 0.088 45.191 45.100 0.005 0.000 0.846 125 G HN 0.541 nan 8.290 nan 0.000 0.589 126 E N -1.548 118.651 120.200 -0.002 0.000 2.429 126 E HA 0.499 4.849 4.350 0.001 0.000 0.276 126 E C -1.031 175.539 176.600 -0.051 0.000 0.953 126 E CA -0.866 55.527 56.400 -0.011 0.000 0.787 126 E CB 2.580 32.263 29.700 -0.028 0.000 1.307 126 E HN 0.339 nan 8.360 nan 0.000 0.458 127 V N 0.514 120.360 119.914 -0.115 0.000 2.555 127 V HA 0.506 4.626 4.120 0.001 0.000 0.302 127 V C -0.421 175.317 176.094 -0.592 0.000 1.038 127 V CA -0.815 61.306 62.300 -0.297 0.000 0.887 127 V CB 1.681 33.349 31.823 -0.258 0.000 0.991 127 V HN 0.671 nan 8.190 nan 0.000 0.434 128 T N 4.775 119.031 114.554 -0.497 0.000 2.772 128 T HA 0.690 5.041 4.350 0.001 0.000 0.288 128 T C -0.674 173.817 174.700 -0.348 0.000 0.994 128 T CA -0.086 61.764 62.100 -0.416 0.000 0.951 128 T CB 0.406 69.156 68.868 -0.196 0.000 0.933 128 T HN 0.323 nan 8.240 nan 0.000 0.447 129 F N 2.158 122.154 119.950 0.078 0.000 2.432 129 F HA 0.640 5.167 4.527 0.001 0.000 0.329 129 F C 0.054 175.923 175.800 0.115 0.000 1.076 129 F CA -2.196 55.865 58.000 0.103 0.000 1.018 129 F CB 0.649 39.721 39.000 0.121 0.000 1.201 129 F HN 0.513 nan 8.300 nan 0.000 0.489 130 F N 1.232 121.307 119.950 0.209 0.000 2.394 130 F HA 0.591 5.118 4.527 0.001 0.000 0.340 130 F C -0.205 175.665 175.800 0.116 0.000 1.105 130 F CA -0.337 57.737 58.000 0.124 0.000 1.124 130 F CB 1.154 40.216 39.000 0.105 0.000 1.145 130 F HN 0.405 nan 8.300 nan 0.000 0.505 131 T N 4.722 118.893 114.554 -0.638 0.000 2.928 131 T HA 0.610 4.961 4.350 0.001 0.000 0.296 131 T C 0.072 174.423 174.700 -0.583 0.000 1.000 131 T CA -0.070 61.631 62.100 -0.665 0.000 0.989 131 T CB 1.157 69.884 68.868 -0.235 0.000 1.005 131 T HN 0.885 nan 8.240 nan 0.000 0.442 132 A N 3.041 125.522 122.820 -0.566 0.000 2.337 132 A HA 0.444 4.765 4.320 0.001 0.000 0.227 132 A C 0.911 178.452 177.584 -0.072 0.000 1.259 132 A CA -0.117 51.822 52.037 -0.163 0.000 0.870 132 A CB 0.062 19.032 19.000 -0.050 0.000 0.927 132 A HN 0.650 nan 8.150 nan 0.000 0.497 133 S N -0.011 115.635 115.700 -0.089 0.000 2.665 133 S HA 0.179 4.650 4.470 0.001 0.000 0.235 133 S C 0.976 175.586 174.600 0.017 0.000 1.084 133 S CA -0.038 58.146 58.200 -0.026 0.000 1.151 133 S CB -0.430 62.749 63.200 -0.034 0.000 1.151 133 S HN 0.582 nan 8.310 nan 0.000 0.461 134 I N 0.516 121.105 120.570 0.033 0.000 2.181 134 I HA -0.287 3.884 4.170 0.001 0.000 0.247 134 I C 1.441 177.693 176.117 0.224 0.000 1.081 134 I CA 1.933 63.292 61.300 0.099 0.000 1.340 134 I CB -0.663 37.379 38.000 0.070 0.000 1.036 134 I HN 0.172 nan 8.210 nan 0.000 0.417 135 D N 0.640 121.125 120.400 0.142 0.000 2.183 135 D HA -0.080 4.560 4.640 0.001 0.000 0.205 135 D C 2.013 178.362 176.300 0.082 0.000 0.962 135 D CA 0.883 54.953 54.000 0.117 0.000 0.849 135 D CB -0.397 40.446 40.800 0.072 0.000 0.978 135 D HN 0.391 nan 8.370 nan 0.000 0.488 136 K N -0.214 120.223 120.400 0.062 0.000 2.097 136 K HA -0.053 4.268 4.320 0.001 0.000 0.206 136 K C 1.866 178.494 176.600 0.047 0.000 1.049 136 K CA 0.479 56.787 56.287 0.036 0.000 0.933 136 K CB -0.129 32.381 32.500 0.016 0.000 0.717 136 K HN 0.092 nan 8.250 nan 0.000 0.442 137 L N 1.630 122.911 121.223 0.095 0.000 2.072 137 L HA -0.121 4.220 4.340 0.001 0.000 0.205 137 L C 2.127 179.085 176.870 0.146 0.000 1.079 137 L CA 1.757 56.679 54.840 0.137 0.000 0.752 137 L CB -0.306 41.878 42.059 0.207 0.000 0.906 137 L HN -0.039 nan 8.230 nan 0.000 0.436 138 K N -0.673 119.829 120.400 0.170 0.000 2.063 138 K HA -0.195 4.126 4.320 0.001 0.000 0.208 138 K C 2.009 178.555 176.600 -0.090 0.000 1.048 138 K CA 1.478 57.706 56.287 -0.099 0.000 0.928 138 K CB -0.267 32.189 32.500 -0.073 0.000 0.713 138 K HN 0.483 nan 8.250 nan 0.000 0.442 139 A N 1.088 123.893 122.820 -0.025 0.000 1.933 139 A HA -0.174 4.147 4.320 0.001 0.000 0.218 139 A C 1.876 179.440 177.584 -0.034 0.000 1.175 139 A CA 1.573 53.593 52.037 -0.029 0.000 0.628 139 A CB -0.281 18.713 19.000 -0.011 0.000 0.814 139 A HN 0.262 nan 8.150 nan 0.000 0.444 140 K N -0.623 119.761 120.400 -0.028 0.000 2.103 140 K HA 0.056 4.377 4.320 0.001 0.000 0.204 140 K C 1.832 178.399 176.600 -0.056 0.000 1.052 140 K CA 1.043 57.304 56.287 -0.043 0.000 0.945 140 K CB -0.285 32.186 32.500 -0.049 0.000 0.722 140 K HN 0.447 nan 8.250 nan 0.000 0.443 141 L N 0.774 121.967 121.223 -0.051 0.000 2.056 141 L HA -0.153 4.188 4.340 0.001 0.000 0.207 141 L C 2.404 179.245 176.870 -0.049 0.000 1.078 141 L CA 0.965 55.778 54.840 -0.045 0.000 0.749 141 L CB -0.243 41.789 42.059 -0.044 0.000 0.901 141 L HN 0.187 nan 8.230 nan 0.000 0.433 142 I N -0.524 120.003 120.570 -0.071 0.000 2.394 142 I HA -0.260 3.910 4.170 0.001 0.000 0.251 142 I C 2.487 178.582 176.117 -0.038 0.000 1.136 142 I CA 1.237 62.501 61.300 -0.060 0.000 1.425 142 I CB 0.015 37.973 38.000 -0.070 0.000 1.079 142 I HN 0.320 nan 8.210 nan 0.000 0.425 143 E N 0.568 120.746 120.200 -0.037 0.000 2.347 143 E HA -0.168 4.183 4.350 0.001 0.000 0.196 143 E C 1.635 178.220 176.600 -0.025 0.000 1.008 143 E CA 1.324 57.706 56.400 -0.030 0.000 0.852 143 E CB 0.243 29.924 29.700 -0.033 0.000 0.783 143 E HN 0.614 nan 8.360 nan 0.000 0.505 144 I N -0.893 119.663 120.570 -0.023 0.000 4.716 144 I HA 0.370 4.541 4.170 0.001 0.000 0.240 144 I C 1.670 177.803 176.117 0.028 0.000 1.006 144 I CA 0.701 61.999 61.300 -0.004 0.000 1.875 144 I CB -0.949 37.033 38.000 -0.030 0.000 1.537 144 I HN 0.099 nan 8.210 nan 0.000 0.461 145 G N -0.163 108.677 108.800 0.067 0.000 3.022 145 G HA2 0.693 4.653 3.960 0.001 0.000 0.157 145 G HA3 0.693 4.653 3.960 0.001 0.000 0.157 145 G C 0.329 175.251 174.900 0.036 0.000 1.468 145 G CA 0.423 45.572 45.100 0.083 0.000 1.058 145 G HN 1.638 nan 8.290 nan 0.000 0.581 146 A N -2.018 120.826 122.820 0.041 0.000 2.311 146 A HA 0.763 5.084 4.320 0.001 0.000 0.334 146 A C -0.247 177.334 177.584 -0.005 0.000 1.139 146 A CA 0.343 52.383 52.037 0.005 0.000 0.830 146 A CB 1.179 20.178 19.000 -0.001 0.000 1.234 146 A HN 1.329 nan 8.150 nan 0.000 0.483 147 E N 1.707 121.878 120.200 -0.050 0.000 2.437 147 E HA 0.553 4.903 4.350 0.001 0.000 0.238 147 E C -0.670 175.905 176.600 -0.041 0.000 0.969 147 E CA -0.536 55.800 56.400 -0.106 0.000 0.759 147 E CB 0.274 29.815 29.700 -0.266 0.000 1.283 147 E HN 0.620 nan 8.360 nan 0.000 0.416 148 I N 2.110 122.701 120.570 0.035 0.000 2.692 148 I HA 0.146 4.317 4.170 0.001 0.000 0.284 148 I C 0.624 176.797 176.117 0.094 0.000 1.159 148 I CA -0.482 60.853 61.300 0.060 0.000 1.423 148 I CB 0.832 38.876 38.000 0.073 0.000 1.380 148 I HN 0.472 nan 8.210 nan 0.000 0.580 149 I N 6.448 127.062 120.570 0.072 0.000 2.638 149 I HA 0.267 4.438 4.170 0.001 0.000 0.286 149 I C -1.791 174.385 176.117 0.099 0.000 1.088 149 I CA -2.010 59.341 61.300 0.084 0.000 1.397 149 I CB -0.427 37.604 38.000 0.052 0.000 1.414 149 I HN 0.398 nan 8.210 nan 0.000 0.566 150 P HA 0.561 nan 4.420 nan 0.000 0.283 150 P C -0.946 176.391 177.300 0.061 0.000 1.278 150 P CA -0.445 62.710 63.100 0.092 0.000 0.834 150 P CB 1.516 33.280 31.700 0.108 0.000 1.150 151 S N -1.211 114.517 115.700 0.046 0.000 2.540 151 S HA 0.725 5.196 4.470 0.001 0.000 0.275 151 S C -0.084 174.532 174.600 0.027 0.000 1.123 151 S CA 0.174 58.394 58.200 0.033 0.000 0.907 151 S CB 1.012 64.227 63.200 0.025 0.000 1.081 151 S HN 0.783 nan 8.310 nan 0.000 0.476 156 V N 0.962 120.882 119.914 0.009 0.000 2.555 156 V HA 0.316 4.436 4.120 0.001 0.000 0.299 156 V C 1.418 177.526 176.094 0.024 0.000 1.012 156 V CA 1.238 63.535 62.300 -0.005 0.000 1.180 156 V CB 0.158 31.973 31.823 -0.014 0.000 0.887 156 V HN 0.545 nan 8.190 nan 0.000 0.476 157 E N 4.352 124.531 120.200 -0.034 0.000 2.076 157 E HA 0.165 4.516 4.350 0.001 0.000 0.190 157 E C 0.262 176.907 176.600 0.076 0.000 0.979 157 E CA 1.602 57.986 56.400 -0.026 0.000 0.807 157 E CB 0.163 29.773 29.700 -0.151 0.000 0.761 157 E HN 0.977 nan 8.360 nan 0.000 0.454 158 F N -3.035 116.957 119.950 0.070 0.000 3.250 158 F HA 0.644 5.171 4.527 0.001 0.000 0.326 158 F C -0.653 175.181 175.800 0.058 0.000 1.154 158 F CA -1.304 56.731 58.000 0.058 0.000 0.870 158 F CB 0.978 40.012 39.000 0.056 0.000 1.476 158 F HN -0.315 nan 8.300 nan 0.000 0.491 159 S N -0.892 115.083 115.700 0.458 0.000 2.638 159 S HA 0.809 5.279 4.470 0.001 0.000 0.274 159 S C -1.259 173.520 174.600 0.299 0.000 1.157 159 S CA 0.052 58.428 58.200 0.294 0.000 0.826 159 S CB 2.075 65.364 63.200 0.148 0.000 1.139 159 S HN 1.131 nan 8.310 nan 0.000 0.474 160 T N 0.031 114.724 114.554 0.233 0.000 2.754 160 T HA 0.888 5.239 4.350 0.001 0.000 0.296 160 T C -1.121 173.648 174.700 0.116 0.000 1.205 160 T CA 0.052 62.267 62.100 0.192 0.000 1.009 160 T CB 1.492 70.527 68.868 0.279 0.000 1.368 160 T HN 1.140 nan 8.240 nan 0.000 0.509 161 R N 0.971 121.498 120.500 0.045 0.000 2.734 161 R HA 0.827 5.168 4.340 0.001 0.000 0.271 161 R C -1.406 174.689 176.300 -0.341 0.000 1.021 161 R CA -0.421 55.620 56.100 -0.099 0.000 0.893 161 R CB 0.954 31.205 30.300 -0.082 0.000 1.244 161 R HN 0.863 nan 8.270 nan 0.000 0.464 162 D N -1.527 118.605 120.400 -0.446 0.000 3.309 162 D HA 0.477 5.117 4.640 0.001 0.000 0.335 162 D C -1.646 174.463 176.300 -0.318 0.000 1.393 162 D CA 0.142 53.796 54.000 -0.576 0.000 0.963 162 D CB 1.455 41.640 40.800 -1.026 0.000 1.431 162 D HN 0.274 nan 8.370 nan 0.000 0.583 163 P HA -0.026 nan 4.420 nan 0.000 0.223 163 P C 0.243 177.424 177.300 -0.200 0.000 1.144 163 P CA 0.882 63.883 63.100 -0.165 0.000 0.783 163 P CB 0.282 31.918 31.700 -0.106 0.000 0.771 164 M N 0.321 119.744 119.600 -0.294 0.000 2.227 164 M HA 0.405 4.886 4.480 0.001 0.000 0.335 164 M C 0.418 176.579 176.300 -0.231 0.000 1.053 164 M CA -0.925 54.151 55.300 -0.373 0.000 0.973 164 M CB 1.515 33.632 32.600 -0.804 0.000 1.623 164 M HN -0.207 nan 8.290 nan 0.000 0.434 165 G N 3.206 111.920 108.800 -0.144 0.000 2.325 165 G HA2 0.536 4.496 3.960 0.001 0.000 0.298 165 G HA3 0.536 4.496 3.960 0.001 0.000 0.298 165 G C -0.785 174.124 174.900 0.014 0.000 1.134 165 G CA -0.299 44.773 45.100 -0.048 0.000 0.876 165 G HN 0.626 nan 8.290 nan 0.000 0.452 166 D N 0.592 121.048 120.400 0.093 0.000 2.671 166 D HA 0.452 5.092 4.640 0.001 0.000 0.232 166 D C -0.084 176.270 176.300 0.089 0.000 1.114 166 D CA -0.144 53.928 54.000 0.121 0.000 0.858 166 D CB 2.691 43.698 40.800 0.345 0.000 1.544 166 D HN 0.263 nan 8.370 nan 0.000 0.471 167 V N 0.211 120.101 119.914 -0.040 0.000 2.975 167 V HA 0.695 4.815 4.120 0.001 0.000 0.318 167 V C 0.125 176.168 176.094 -0.084 0.000 1.077 167 V CA -0.780 61.493 62.300 -0.044 0.000 1.000 167 V CB 1.714 33.494 31.823 -0.072 0.000 1.066 167 V HN 0.419 nan 8.190 nan 0.000 0.452 168 I N 1.526 122.035 120.570 -0.101 0.000 2.656 168 I HA 0.693 4.863 4.170 0.001 0.000 0.292 168 I C 0.039 176.048 176.117 -0.179 0.000 1.144 168 I CA 0.367 61.581 61.300 -0.142 0.000 1.038 168 I CB 2.325 40.164 38.000 -0.268 0.000 1.244 168 I HN 1.060 nan 8.210 nan 0.000 0.420 169 S N 4.385 120.054 115.700 -0.051 0.000 3.407 169 S HA 0.613 5.084 4.470 0.001 0.000 0.315 169 S C -1.192 173.569 174.600 0.268 0.000 1.211 169 S CA -0.767 57.466 58.200 0.056 0.000 1.148 169 S CB 0.775 63.967 63.200 -0.014 0.000 1.511 169 S HN 0.460 nan 8.310 nan 0.000 0.604 170 F N 1.971 122.039 119.950 0.196 0.000 2.522 170 F HA 0.882 5.409 4.527 0.001 0.000 0.324 170 F C 0.441 176.343 175.800 0.170 0.000 1.077 170 F CA -0.439 57.778 58.000 0.363 0.000 0.944 170 F CB 1.328 40.460 39.000 0.220 0.000 1.175 170 F HN 0.844 nan 8.300 nan 0.000 0.468 171 S N 0.620 116.262 115.700 -0.096 0.000 2.650 171 S HA 0.004 4.474 4.470 0.001 0.000 0.251 171 S C 1.346 175.830 174.600 -0.195 0.000 1.325 171 S CA 0.114 58.164 58.200 -0.250 0.000 0.967 171 S CB 0.299 63.192 63.200 -0.511 0.000 1.000 171 S HN 0.909 nan 8.310 nan 0.000 0.584 172 S N -1.059 114.569 115.700 -0.121 0.000 2.474 172 S HA 0.038 4.508 4.470 0.001 0.000 0.235 172 S C 0.190 174.740 174.600 -0.083 0.000 0.997 172 S CA 0.340 58.463 58.200 -0.128 0.000 0.949 172 S CB -0.796 62.315 63.200 -0.147 0.000 0.766 172 S HN 0.535 nan 8.310 nan 0.000 0.517 173 Y N 1.354 121.631 120.300 -0.038 0.000 2.258 173 Y HA 0.225 4.776 4.550 0.001 0.000 0.345 173 Y C -0.889 175.097 175.900 0.143 0.000 1.303 173 Y CA -1.531 56.580 58.100 0.017 0.000 1.537 173 Y CB -0.022 38.409 38.460 -0.048 0.000 1.383 173 Y HN 0.081 nan 8.280 nan 0.000 0.606 174 P HA -0.046 nan 4.420 nan 0.000 0.216 174 P C -0.621 176.695 177.300 0.028 0.000 1.153 174 P CA 1.233 64.439 63.100 0.177 0.000 0.844 174 P CB 0.259 32.017 31.700 0.097 0.000 0.787 175 S N -2.758 112.969 115.700 0.044 0.000 2.661 175 S HA 0.757 5.228 4.470 0.001 0.000 0.285 175 S C -0.414 174.249 174.600 0.103 0.000 1.138 175 S CA -0.845 57.321 58.200 -0.057 0.000 0.855 175 S CB 0.860 64.014 63.200 -0.076 0.000 1.136 175 S HN 0.085 nan 8.310 nan 0.000 0.484 179 K N 1.250 121.665 120.400 0.026 0.000 2.046 179 K HA 0.473 4.794 4.320 0.001 0.000 0.248 179 K C 1.165 177.772 176.600 0.012 0.000 1.123 179 K CA 0.712 57.008 56.287 0.014 0.000 1.145 179 K CB -1.265 31.241 32.500 0.010 0.000 1.028 179 K HN 0.753 nan 8.250 nan 0.000 0.354 180 K N 1.129 121.534 120.400 0.008 0.000 2.076 180 K HA 0.345 4.665 4.320 0.001 0.000 0.204 180 K C 1.607 178.205 176.600 -0.004 0.000 1.051 180 K CA 1.445 57.733 56.287 0.002 0.000 0.949 180 K CB -0.853 31.645 32.500 -0.003 0.000 0.726 180 K HN 1.429 nan 8.250 nan 0.000 0.443 181 I N 2.928 123.496 120.570 -0.003 0.000 2.347 181 I HA 0.648 4.819 4.170 0.001 0.000 0.294 181 I C 0.817 176.934 176.117 -0.000 0.000 1.090 181 I CA -0.078 61.221 61.300 -0.003 0.000 1.314 181 I CB -0.848 37.150 38.000 -0.004 0.000 1.423 181 I HN 0.675 nan 8.210 nan 0.000 0.503 182 T N 3.732 118.286 114.554 0.001 0.000 2.899 182 T HA 0.731 5.082 4.350 0.001 0.000 0.284 182 T C 0.825 175.530 174.700 0.009 0.000 1.004 182 T CA 0.047 62.149 62.100 0.004 0.000 1.043 182 T CB 0.155 69.025 68.868 0.003 0.000 1.013 182 T HN 1.878 nan 8.240 nan 0.000 0.518 183 S N 3.150 118.856 115.700 0.011 0.000 2.430 183 S HA 0.537 5.008 4.470 0.001 0.000 0.282 183 S C -1.844 172.768 174.600 0.019 0.000 1.186 183 S CA -1.227 56.981 58.200 0.014 0.000 1.060 183 S CB -0.822 62.386 63.200 0.013 0.000 0.966 183 S HN 0.605 nan 8.310 nan 0.000 0.501 184 P HA 0.333 nan 4.420 nan 0.000 0.271 184 P C -0.615 176.699 177.300 0.023 0.000 1.216 184 P CA -0.420 62.694 63.100 0.023 0.000 0.771 184 P CB 0.538 32.250 31.700 0.020 0.000 0.864 185 D N 0.262 120.678 120.400 0.027 0.000 2.362 185 D HA 0.354 4.994 4.640 0.001 0.000 0.238 185 D C 0.267 176.580 176.300 0.022 0.000 1.212 185 D CA 0.412 54.428 54.000 0.026 0.000 0.902 185 D CB 0.210 41.028 40.800 0.029 0.000 1.180 185 D HN 0.260 nan 8.370 nan 0.000 0.445 209 G N 2.465 111.287 108.800 0.037 0.000 2.414 209 G HA2 -0.161 3.799 3.960 0.001 0.000 0.215 209 G HA3 -0.161 3.799 3.960 0.001 0.000 0.215 209 G C 0.463 175.381 174.900 0.031 0.000 1.188 209 G CA 0.638 45.754 45.100 0.027 0.000 0.783 209 G HN 0.222 nan 8.290 nan 0.000 0.537 210 K N -0.239 120.188 120.400 0.045 0.000 2.155 210 K HA 0.401 4.722 4.320 0.001 0.000 0.237 210 K C -0.139 176.499 176.600 0.063 0.000 1.040 210 K CA -0.471 55.846 56.287 0.051 0.000 0.912 210 K CB 0.685 33.220 32.500 0.058 0.000 1.137 210 K HN -0.065 nan 8.250 nan 0.000 0.498 211 K N 1.460 121.899 120.400 0.065 0.000 2.227 211 K HA 0.112 4.432 4.320 0.001 0.000 0.280 211 K C -0.924 175.739 176.600 0.104 0.000 1.041 211 K CA -0.194 56.134 56.287 0.068 0.000 0.905 211 K CB 0.718 33.247 32.500 0.048 0.000 1.068 211 K HN 0.255 nan 8.250 nan 0.000 0.470 212 K N 5.091 125.555 120.400 0.107 0.000 2.266 212 K HA 0.285 4.606 4.320 0.001 0.000 0.274 212 K C -0.527 176.142 176.600 0.114 0.000 1.090 212 K CA -0.237 56.140 56.287 0.151 0.000 0.925 212 K CB 0.653 33.179 32.500 0.044 0.000 1.225 212 K HN 0.437 nan 8.250 nan 0.000 0.458 213 I N 2.609 123.259 120.570 0.135 0.000 2.331 213 I HA 0.228 4.399 4.170 0.001 0.000 0.292 213 I C 0.193 176.365 176.117 0.091 0.000 0.998 213 I CA -0.550 60.797 61.300 0.078 0.000 1.267 213 I CB 1.526 39.557 38.000 0.051 0.000 1.386 213 I HN 0.536 nan 8.210 nan 0.000 0.476 214 A N 7.189 130.036 122.820 0.046 0.000 2.301 214 A HA 0.715 5.036 4.320 0.001 0.000 0.312 214 A C -0.772 176.793 177.584 -0.032 0.000 1.182 214 A CA -0.429 51.625 52.037 0.028 0.000 0.826 214 A CB 0.905 19.914 19.000 0.014 0.000 1.134 214 A HN 0.658 nan 8.150 nan 0.000 0.501 215 I N 3.221 123.750 120.570 -0.069 0.000 2.406 215 I HA 0.660 4.830 4.170 0.001 0.000 0.290 215 I C -0.705 175.305 176.117 -0.180 0.000 0.999 215 I CA -0.895 60.333 61.300 -0.119 0.000 1.124 215 I CB 1.301 39.232 38.000 -0.116 0.000 1.289 215 I HN 0.602 nan 8.210 nan 0.000 0.441 216 I N 4.450 124.894 120.570 -0.210 0.000 2.498 216 I HA 0.703 4.874 4.170 0.001 0.000 0.290 216 I C -0.684 175.269 176.117 -0.274 0.000 1.032 216 I CA -0.240 60.889 61.300 -0.286 0.000 1.073 216 I CB 2.273 40.027 38.000 -0.410 0.000 1.251 216 I HN 0.647 nan 8.210 nan 0.000 0.426 217 T N 2.104 116.507 114.554 -0.251 0.000 2.821 217 T HA 0.614 4.964 4.350 0.001 0.000 0.307 217 T C -0.203 174.366 174.700 -0.218 0.000 1.034 217 T CA -0.565 61.414 62.100 -0.202 0.000 0.953 217 T CB 0.907 69.688 68.868 -0.145 0.000 0.968 217 T HN 0.739 nan 8.240 nan 0.000 0.462 218 S N 2.566 118.122 115.700 -0.240 0.000 2.600 218 S HA 0.903 5.374 4.470 0.001 0.000 0.300 218 S C 0.640 175.179 174.600 -0.101 0.000 1.087 218 S CA 0.649 58.716 58.200 -0.223 0.000 0.965 218 S CB 0.799 63.754 63.200 -0.410 0.000 1.089 218 S HN 1.991 nan 8.310 nan 0.000 0.496 219 G N 1.266 110.040 108.800 -0.043 0.000 2.681 219 G HA2 0.104 4.064 3.960 0.001 0.000 0.220 219 G HA3 0.104 4.064 3.960 0.001 0.000 0.220 219 G C 0.262 175.167 174.900 0.009 0.000 1.353 219 G CA -0.328 44.773 45.100 0.001 0.000 0.872 219 G HN 1.425 nan 8.290 nan 0.000 0.557 220 G N -0.488 108.329 108.800 0.027 0.000 2.544 220 G HA2 0.466 4.427 3.960 0.001 0.000 0.242 220 G HA3 0.466 4.427 3.960 0.001 0.000 0.242 220 G C -0.009 174.904 174.900 0.021 0.000 1.247 220 G CA 0.711 45.836 45.100 0.041 0.000 0.840 220 G HN 0.822 nan 8.290 nan 0.000 0.578 221 D N -0.181 120.239 120.400 0.034 0.000 2.449 221 D HA 0.434 5.074 4.640 0.001 0.000 0.236 221 D C 0.389 176.676 176.300 -0.022 0.000 1.149 221 D CA 1.417 55.421 54.000 0.006 0.000 0.878 221 D CB 0.930 41.742 40.800 0.020 0.000 1.198 221 D HN 0.608 nan 8.370 nan 0.000 0.446 222 A N 2.407 125.211 122.820 -0.027 0.000 2.456 222 A HA 0.507 4.828 4.320 0.001 0.000 0.288 222 A C -2.762 174.808 177.584 -0.024 0.000 1.042 222 A CA -1.471 50.550 52.037 -0.025 0.000 0.738 222 A CB 1.306 20.291 19.000 -0.025 0.000 1.266 222 A HN 0.281 nan 8.150 nan 0.000 0.407 223 P HA 0.400 nan 4.420 nan 0.000 0.265 223 P C 1.045 178.339 177.300 -0.010 0.000 1.222 223 P CA 1.561 64.657 63.100 -0.008 0.000 0.767 223 P CB 0.846 32.551 31.700 0.008 0.000 0.801 224 G N 2.777 111.559 108.800 -0.030 0.000 2.551 224 G HA2 -0.223 3.738 3.960 0.001 0.000 0.186 224 G HA3 -0.223 3.738 3.960 0.001 0.000 0.186 224 G C 1.047 175.904 174.900 -0.072 0.000 1.002 224 G CA 0.054 45.123 45.100 -0.052 0.000 0.723 224 G HN 0.389 nan 8.290 nan 0.000 0.481 225 M N 0.576 120.137 119.600 -0.065 0.000 2.108 225 M HA -0.072 4.408 4.480 0.001 0.000 0.261 225 M C 2.394 178.643 176.300 -0.086 0.000 1.066 225 M CA 1.800 57.054 55.300 -0.077 0.000 1.107 225 M CB -0.362 32.197 32.600 -0.069 0.000 1.356 225 M HN 0.256 nan 8.290 nan 0.000 0.406 226 N N 0.574 119.230 118.700 -0.074 0.000 2.120 226 N HA -0.082 4.658 4.740 0.001 0.000 0.188 226 N C 1.686 177.137 175.510 -0.098 0.000 1.024 226 N CA 1.709 54.711 53.050 -0.080 0.000 0.852 226 N CB -0.377 38.073 38.487 -0.062 0.000 1.003 226 N HN 0.335 nan 8.380 nan 0.000 0.424 227 A N 0.881 123.642 122.820 -0.097 0.000 1.940 227 A HA -0.033 4.287 4.320 0.001 0.000 0.219 227 A C 2.355 179.858 177.584 -0.135 0.000 1.176 227 A CA 2.009 53.977 52.037 -0.116 0.000 0.631 227 A CB -0.797 18.138 19.000 -0.109 0.000 0.814 227 A HN 0.334 nan 8.150 nan 0.000 0.446 228 A N -0.615 122.127 122.820 -0.129 0.000 1.877 228 A HA 0.001 4.321 4.320 0.001 0.000 0.216 228 A C 2.231 179.737 177.584 -0.129 0.000 1.186 228 A CA 1.773 53.730 52.037 -0.134 0.000 0.620 228 A CB -0.965 17.961 19.000 -0.124 0.000 0.822 228 A HN 0.400 nan 8.150 nan 0.000 0.443 229 V N 0.229 120.067 119.914 -0.126 0.000 2.343 229 V HA -0.261 3.860 4.120 0.001 0.000 0.247 229 V C 2.676 178.687 176.094 -0.139 0.000 1.051 229 V CA 2.305 64.527 62.300 -0.129 0.000 1.036 229 V CB -0.825 30.921 31.823 -0.129 0.000 0.654 229 V HN 0.681 nan 8.190 nan 0.000 0.451 230 R N 0.244 120.652 120.500 -0.153 0.000 2.081 230 R HA -0.151 4.190 4.340 0.001 0.000 0.235 230 R C 2.257 178.435 176.300 -0.204 0.000 1.131 230 R CA 1.705 57.689 56.100 -0.193 0.000 0.960 230 R CB -0.386 29.796 30.300 -0.197 0.000 0.856 230 R HN 0.478 nan 8.270 nan 0.000 0.436 231 A N 0.295 123.012 122.820 -0.171 0.000 1.898 231 A HA -0.057 4.263 4.320 0.001 0.000 0.216 231 A C 2.254 179.773 177.584 -0.109 0.000 1.181 231 A CA 1.357 53.303 52.037 -0.152 0.000 0.620 231 A CB -0.423 18.487 19.000 -0.151 0.000 0.819 231 A HN 0.217 nan 8.150 nan 0.000 0.442 232 V N -0.094 119.760 119.914 -0.100 0.000 2.261 232 V HA -0.231 3.890 4.120 0.001 0.000 0.246 232 V C 2.747 178.814 176.094 -0.045 0.000 1.047 232 V CA 2.497 64.758 62.300 -0.064 0.000 1.015 232 V CB -1.406 30.373 31.823 -0.074 0.000 0.642 232 V HN 0.605 nan 8.190 nan 0.000 0.446 233 T N -0.044 114.462 114.554 -0.081 0.000 2.569 233 T HA -0.264 4.087 4.350 0.001 0.000 0.263 233 T C 2.074 176.746 174.700 -0.046 0.000 1.074 233 T CA 1.970 64.026 62.100 -0.073 0.000 1.176 233 T CB -0.327 68.469 68.868 -0.120 0.000 0.863 233 T HN 0.345 nan 8.240 nan 0.000 0.410 234 R N 0.848 121.262 120.500 -0.143 0.000 2.105 234 R HA 0.007 4.348 4.340 0.001 0.000 0.239 234 R C 2.754 179.103 176.300 0.083 0.000 1.135 234 R CA 1.272 57.284 56.100 -0.146 0.000 0.967 234 R CB -0.492 29.500 30.300 -0.514 0.000 0.861 234 R HN 0.409 nan 8.270 nan 0.000 0.442 235 A N 0.312 123.160 122.820 0.047 0.000 1.898 235 A HA -0.040 4.281 4.320 0.001 0.000 0.216 235 A C 2.363 180.112 177.584 0.273 0.000 1.181 235 A CA 1.593 53.718 52.037 0.147 0.000 0.620 235 A CB -1.073 18.011 19.000 0.140 0.000 0.819 235 A HN 0.463 nan 8.150 nan 0.000 0.442 236 G N 0.182 109.094 108.800 0.187 0.000 2.446 236 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 236 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 236 G C 1.529 176.536 174.900 0.179 0.000 1.168 236 G CA 1.211 46.418 45.100 0.178 0.000 0.771 236 G HN 0.465 nan 8.290 nan 0.000 0.551 237 I N -0.430 120.246 120.570 0.177 0.000 2.142 237 I HA -0.116 4.055 4.170 0.001 0.000 0.240 237 I C 2.411 178.616 176.117 0.147 0.000 1.078 237 I CA 1.103 62.508 61.300 0.176 0.000 1.343 237 I CB -0.286 37.886 38.000 0.285 0.000 1.046 237 I HN 0.203 nan 8.210 nan 0.000 0.405 238 F N 0.775 120.742 119.950 0.029 0.000 2.120 238 F HA -0.304 4.223 4.527 0.001 0.000 0.300 238 F C 1.939 177.618 175.800 -0.201 0.000 1.095 238 F CA 1.672 59.593 58.000 -0.133 0.000 1.249 238 F CB -0.262 38.584 39.000 -0.257 0.000 0.995 238 F HN 0.019 nan 8.300 nan 0.000 0.480 239 Y N 0.732 121.069 120.300 0.062 0.000 2.502 239 Y HA 0.248 4.799 4.550 0.001 0.000 0.295 239 Y C 1.587 177.443 175.900 -0.073 0.000 1.193 239 Y CA 0.260 58.335 58.100 -0.041 0.000 1.295 239 Y CB -0.395 38.108 38.460 0.072 0.000 1.059 239 Y HN 0.208 nan 8.280 nan 0.000 0.514 240 G N -0.434 108.381 108.800 0.025 0.000 2.204 240 G HA2 -0.240 3.721 3.960 0.001 0.000 0.244 240 G HA3 -0.240 3.721 3.960 0.001 0.000 0.244 240 G C -0.245 174.683 174.900 0.047 0.000 1.062 240 G CA -0.115 44.989 45.100 0.006 0.000 0.798 240 G HN 0.330 nan 8.290 nan 0.000 0.496 241 C N -0.639 118.708 119.300 0.078 0.000 2.668 241 C HA 0.836 5.297 4.460 0.001 0.000 0.355 241 C C 0.451 175.490 174.990 0.082 0.000 1.277 241 C CA -1.040 58.029 59.018 0.085 0.000 1.787 241 C CB 1.970 29.770 27.740 0.099 0.000 2.233 241 C HN 0.489 nan 8.230 nan 0.000 0.495 242 K N 1.002 121.465 120.400 0.104 0.000 2.307 242 K HA 0.584 4.905 4.320 0.001 0.000 0.263 242 K C -1.364 175.291 176.600 0.091 0.000 0.973 242 K CA -0.258 56.077 56.287 0.080 0.000 0.846 242 K CB 1.608 34.200 32.500 0.154 0.000 1.100 242 K HN 0.406 nan 8.250 nan 0.000 0.438 243 V N 4.494 124.393 119.914 -0.025 0.000 2.406 243 V HA 0.216 4.336 4.120 0.001 0.000 0.272 243 V C -0.777 175.234 176.094 -0.139 0.000 1.043 243 V CA -0.592 61.701 62.300 -0.012 0.000 0.915 243 V CB 0.056 31.867 31.823 -0.019 0.000 0.988 243 V HN 0.577 nan 8.190 nan 0.000 0.466 244 Y N 2.794 123.083 120.300 -0.018 0.000 2.331 244 Y HA 0.650 5.200 4.550 0.001 0.000 0.338 244 Y C 0.598 176.447 175.900 -0.085 0.000 0.992 244 Y CA -0.508 57.577 58.100 -0.024 0.000 1.121 244 Y CB 1.663 40.120 38.460 -0.004 0.000 1.184 244 Y HN 0.708 nan 8.280 nan 0.000 0.469 245 A N 2.373 125.169 122.820 -0.040 0.000 2.363 245 A HA 0.417 4.738 4.320 0.001 0.000 0.270 245 A C -0.585 176.839 177.584 -0.267 0.000 1.121 245 A CA -0.489 51.379 52.037 -0.281 0.000 0.800 245 A CB 0.136 18.781 19.000 -0.591 0.000 1.052 245 A HN 0.909 nan 8.150 nan 0.000 0.493 246 C N 4.794 123.918 119.300 -0.293 0.000 2.258 246 C HA 0.642 5.102 4.460 0.001 0.000 0.321 246 C C -0.540 174.313 174.990 -0.229 0.000 1.168 246 C CA -1.063 57.860 59.018 -0.158 0.000 1.531 246 C CB -2.088 25.587 27.740 -0.110 0.000 2.095 246 C HN 0.689 nan 8.230 nan 0.000 0.449 247 Y N 4.205 124.487 120.300 -0.030 0.000 2.480 247 Y HA 0.238 4.789 4.550 0.001 0.000 0.338 247 Y C 1.322 177.193 175.900 -0.048 0.000 1.220 247 Y CA 0.969 59.047 58.100 -0.036 0.000 1.430 247 Y CB 0.488 38.938 38.460 -0.016 0.000 1.311 247 Y HN 0.640 nan 8.280 nan 0.000 0.575 248 E N 1.256 121.510 120.200 0.089 0.000 2.240 248 E HA -0.234 4.117 4.350 0.001 0.000 0.194 248 E C 0.906 177.482 176.600 -0.039 0.000 1.385 248 E CA 0.927 57.344 56.400 0.028 0.000 0.686 248 E CB -1.586 28.146 29.700 0.053 0.000 1.125 248 E HN 1.051 nan 8.360 nan 0.000 0.359 249 G N 0.637 109.361 108.800 -0.126 0.000 2.632 249 G HA2 -0.424 3.536 3.960 0.001 0.000 0.322 249 G HA3 -0.424 3.536 3.960 0.001 0.000 0.322 249 G C 0.613 175.330 174.900 -0.305 0.000 1.326 249 G CA 0.815 45.757 45.100 -0.263 0.000 0.986 249 G HN 0.374 nan 8.290 nan 0.000 0.541 250 Y N 1.868 122.030 120.300 -0.231 0.000 2.421 250 Y HA -0.029 4.521 4.550 0.001 0.000 0.292 250 Y C 3.319 179.134 175.900 -0.142 0.000 1.136 250 Y CA 2.259 60.156 58.100 -0.338 0.000 1.255 250 Y CB -0.834 37.262 38.460 -0.606 0.000 0.991 250 Y HN 0.753 nan 8.280 nan 0.000 0.552 251 T N -3.079 111.515 114.554 0.067 0.000 2.720 251 T HA -0.162 4.189 4.350 0.001 0.000 0.268 251 T C 2.351 177.091 174.700 0.067 0.000 1.037 251 T CA 1.442 63.587 62.100 0.075 0.000 1.144 251 T CB -0.999 67.905 68.868 0.060 0.000 0.864 251 T HN 0.362 nan 8.240 nan 0.000 0.444 252 G N 0.717 109.544 108.800 0.045 0.000 2.443 252 G HA2 0.034 3.995 3.960 0.001 0.000 0.219 252 G HA3 0.034 3.995 3.960 0.001 0.000 0.219 252 G C 1.443 176.379 174.900 0.060 0.000 1.131 252 G CA 0.706 45.844 45.100 0.063 0.000 0.775 252 G HN 0.490 nan 8.290 nan 0.000 0.547 253 L N 0.482 121.727 121.223 0.037 0.000 2.179 253 L HA 0.163 4.504 4.340 0.001 0.000 0.208 253 L C 2.767 179.709 176.870 0.119 0.000 1.096 253 L CA 0.976 55.850 54.840 0.057 0.000 0.779 253 L CB 0.030 42.095 42.059 0.009 0.000 0.922 253 L HN 0.064 nan 8.230 nan 0.000 0.443 254 V N 0.247 120.241 119.914 0.133 0.000 2.346 254 V HA -0.179 3.942 4.120 0.001 0.000 0.244 254 V C 1.957 178.125 176.094 0.123 0.000 1.037 254 V CA 1.774 64.165 62.300 0.153 0.000 1.029 254 V CB -0.737 31.186 31.823 0.166 0.000 0.663 254 V HN 0.566 nan 8.190 nan 0.000 0.454 255 K N 1.614 122.075 120.400 0.100 0.000 2.500 255 K HA 0.213 4.534 4.320 0.001 0.000 0.206 255 K C 0.823 177.476 176.600 0.088 0.000 1.034 255 K CA 0.150 56.489 56.287 0.087 0.000 1.179 255 K CB -0.009 32.532 32.500 0.069 0.000 0.884 255 K HN 0.301 nan 8.250 nan 0.000 0.493 256 G N 0.893 109.753 108.800 0.098 0.000 2.178 256 G HA2 0.181 4.141 3.960 0.001 0.000 0.276 256 G HA3 0.181 4.141 3.960 0.001 0.000 0.276 256 G C 0.264 175.212 174.900 0.080 0.000 1.038 256 G CA 0.195 45.348 45.100 0.089 0.000 1.177 256 G HN 0.496 nan 8.290 nan 0.000 0.396 257 G N 1.693 110.538 108.800 0.075 0.000 2.861 257 G HA2 0.091 4.052 3.960 0.001 0.000 0.160 257 G HA3 0.091 4.052 3.960 0.001 0.000 0.160 257 G C 0.699 175.640 174.900 0.068 0.000 1.570 257 G CA 0.559 45.698 45.100 0.065 0.000 0.925 257 G HN 0.461 nan 8.290 nan 0.000 0.754 258 D N -0.270 120.165 120.400 0.059 0.000 2.355 258 D HA 0.118 4.759 4.640 0.001 0.000 0.218 258 D C 2.282 178.622 176.300 0.067 0.000 1.004 258 D CA 0.305 54.336 54.000 0.051 0.000 0.880 258 D CB 0.103 40.915 40.800 0.019 0.000 0.911 258 D HN 0.078 nan 8.370 nan 0.000 0.528 259 M N -0.048 119.611 119.600 0.099 0.000 2.492 259 M HA 0.031 4.512 4.480 0.001 0.000 0.262 259 M C -0.064 176.401 176.300 0.275 0.000 1.090 259 M CA 0.515 55.915 55.300 0.166 0.000 1.110 259 M CB 0.161 32.836 32.600 0.125 0.000 1.407 259 M HN 0.040 nan 8.290 nan 0.000 0.470 260 L N 1.459 122.805 121.223 0.205 0.000 2.283 260 L HA 0.357 4.697 4.340 0.001 0.000 0.281 260 L C -0.447 176.604 176.870 0.303 0.000 1.033 260 L CA 0.224 55.194 54.840 0.217 0.000 0.848 260 L CB 0.664 42.788 42.059 0.107 0.000 1.226 260 L HN 0.087 nan 8.230 nan 0.000 0.429 261 K N 2.283 122.917 120.400 0.390 0.000 2.371 261 K HA 0.382 4.703 4.320 0.001 0.000 0.251 261 K C -0.270 176.444 176.600 0.189 0.000 0.934 261 K CA -0.756 55.731 56.287 0.335 0.000 0.798 261 K CB 2.680 35.381 32.500 0.336 0.000 1.204 261 K HN 0.373 nan 8.250 nan 0.000 0.427 262 E N 2.437 122.591 120.200 -0.077 0.000 2.390 262 E HA 0.139 4.489 4.350 0.001 0.000 0.261 262 E C -0.869 175.613 176.600 -0.196 0.000 1.076 262 E CA -0.082 56.014 56.400 -0.507 0.000 0.905 262 E CB 0.679 29.957 29.700 -0.702 0.000 0.984 262 E HN 0.343 nan 8.360 nan 0.000 0.427 263 L N 3.710 124.809 121.223 -0.208 0.000 2.322 263 L HA 0.275 4.616 4.340 0.001 0.000 0.281 263 L C 0.040 176.865 176.870 -0.076 0.000 1.014 263 L CA -0.837 53.944 54.840 -0.098 0.000 0.815 263 L CB 1.648 43.650 42.059 -0.094 0.000 1.247 263 L HN 0.375 nan 8.230 nan 0.000 0.421 264 Q N 0.934 120.721 119.800 -0.021 0.000 2.215 264 Q HA 0.047 4.388 4.340 0.001 0.000 0.256 264 Q C 0.369 176.426 176.000 0.094 0.000 0.972 264 Q CA -0.510 55.318 55.803 0.041 0.000 0.889 264 Q CB 1.587 30.353 28.738 0.047 0.000 1.281 264 Q HN 0.677 nan 8.270 nan 0.000 0.456 265 W N 1.687 122.962 121.300 -0.042 0.000 2.313 265 W HA -0.233 4.427 4.660 0.001 0.000 0.293 265 W C 1.962 178.457 176.519 -0.039 0.000 1.216 265 W CA 1.898 59.221 57.345 -0.037 0.000 1.223 265 W CB 0.403 29.846 29.460 -0.029 0.000 1.138 265 W HN 0.704 nan 8.180 nan 0.000 0.535 266 Q N -0.608 119.315 119.800 0.206 0.000 2.331 266 Q HA -0.138 4.203 4.340 0.001 0.000 0.203 266 Q C 1.476 177.478 176.000 0.004 0.000 0.944 266 Q CA 1.186 57.053 55.803 0.106 0.000 0.892 266 Q CB -0.059 28.749 28.738 0.117 0.000 0.983 266 Q HN 0.133 nan 8.270 nan 0.000 0.482 267 D N -0.094 120.303 120.400 -0.005 0.000 2.178 267 D HA -0.135 4.505 4.640 0.001 0.000 0.201 267 D C 1.477 177.741 176.300 -0.060 0.000 0.980 267 D CA 1.225 55.212 54.000 -0.021 0.000 0.842 267 D CB 0.109 40.903 40.800 -0.009 0.000 0.948 267 D HN 0.272 nan 8.370 nan 0.000 0.472 268 V N -1.570 118.274 119.914 -0.117 0.000 3.499 268 V HA 0.217 4.337 4.120 0.001 0.000 0.308 268 V C 0.741 176.727 176.094 -0.181 0.000 1.319 268 V CA -0.462 61.743 62.300 -0.157 0.000 1.194 268 V CB -0.828 30.875 31.823 -0.201 0.000 1.072 268 V HN -0.107 nan 8.190 nan 0.000 0.426 269 R N 1.310 121.724 120.500 -0.143 0.000 2.640 269 R HA 0.350 4.691 4.340 0.001 0.000 0.270 269 R C 1.525 177.764 176.300 -0.102 0.000 1.024 269 R CA 0.959 56.981 56.100 -0.130 0.000 1.085 269 R CB 0.356 30.610 30.300 -0.077 0.000 0.963 269 R HN 0.737 nan 8.270 nan 0.000 0.426 270 G N 2.844 111.584 108.800 -0.101 0.000 2.244 270 G HA2 -0.287 3.673 3.960 0.001 0.000 0.274 270 G HA3 -0.287 3.673 3.960 0.001 0.000 0.274 270 G C 0.731 175.588 174.900 -0.072 0.000 1.002 270 G CA 0.370 45.425 45.100 -0.075 0.000 0.740 270 G HN 0.604 nan 8.290 nan 0.000 0.516 271 L N -0.068 121.101 121.223 -0.091 0.000 2.456 271 L HA 0.022 4.362 4.340 0.001 0.000 0.224 271 L C 2.874 179.699 176.870 -0.076 0.000 1.148 271 L CA 1.399 56.190 54.840 -0.082 0.000 0.825 271 L CB -0.399 41.600 42.059 -0.101 0.000 0.937 271 L HN 0.635 nan 8.230 nan 0.000 0.450 272 L N -2.572 118.603 121.223 -0.080 0.000 2.465 272 L HA 0.017 4.357 4.340 0.001 0.000 0.224 272 L C 1.858 178.705 176.870 -0.040 0.000 1.145 272 L CA 1.074 55.874 54.840 -0.067 0.000 0.834 272 L CB -0.408 41.606 42.059 -0.075 0.000 0.944 272 L HN 0.214 nan 8.230 nan 0.000 0.451 273 S N -1.652 114.027 115.700 -0.035 0.000 2.663 273 S HA 0.343 4.814 4.470 0.001 0.000 0.243 273 S C 1.040 175.628 174.600 -0.019 0.000 1.009 273 S CA -0.664 57.524 58.200 -0.020 0.000 0.988 273 S CB 0.113 63.301 63.200 -0.019 0.000 0.896 273 S HN 0.245 nan 8.310 nan 0.000 0.502 274 I N 1.816 122.371 120.570 -0.025 0.000 5.672 274 I HA 0.508 4.679 4.170 0.001 0.000 0.229 274 I C 1.419 177.527 176.117 -0.015 0.000 0.911 274 I CA 0.962 62.250 61.300 -0.020 0.000 1.682 274 I CB -1.777 36.208 38.000 -0.025 0.000 1.427 274 I HN 0.500 nan 8.210 nan 0.000 0.459 275 G N 0.031 108.819 108.800 -0.020 0.000 2.764 275 G HA2 -0.038 3.922 3.960 0.001 0.000 0.686 275 G HA3 -0.038 3.922 3.960 0.001 0.000 0.686 275 G C 0.495 175.393 174.900 -0.004 0.000 1.258 275 G CA -0.067 45.023 45.100 -0.016 0.000 0.846 275 G HN 0.829 nan 8.290 nan 0.000 0.596 276 G N -0.112 108.689 108.800 0.002 0.000 2.699 276 G HA2 0.468 4.429 3.960 0.001 0.000 0.214 276 G HA3 0.468 4.429 3.960 0.001 0.000 0.214 276 G C 0.880 175.768 174.900 -0.020 0.000 1.350 276 G CA 1.898 46.994 45.100 -0.007 0.000 0.873 276 G HN 1.811 nan 8.290 nan 0.000 0.570 277 T N -0.530 114.016 114.554 -0.015 0.000 2.886 277 T HA 0.415 4.766 4.350 0.001 0.000 0.292 277 T C 1.153 175.846 174.700 -0.011 0.000 1.012 277 T CA -0.292 61.790 62.100 -0.030 0.000 0.982 277 T CB 1.468 70.305 68.868 -0.051 0.000 1.018 277 T HN 0.424 nan 8.240 nan 0.000 0.451 278 I N 3.098 123.658 120.570 -0.017 0.000 3.059 278 I HA 0.310 4.480 4.170 0.001 0.000 0.270 278 I C 1.729 177.888 176.117 0.071 0.000 1.238 278 I CA 0.641 61.954 61.300 0.022 0.000 1.478 278 I CB -0.118 37.890 38.000 0.013 0.000 1.097 278 I HN 0.543 nan 8.210 nan 0.000 0.455 279 I N 1.729 122.284 120.570 -0.025 0.000 2.617 279 I HA 0.156 4.326 4.170 0.001 0.000 0.256 279 I C 1.250 177.387 176.117 0.033 0.000 1.167 279 I CA 0.999 62.217 61.300 -0.137 0.000 1.469 279 I CB -0.524 37.301 38.000 -0.292 0.000 1.098 279 I HN 0.554 nan 8.210 nan 0.000 0.436 280 G N 0.891 109.705 108.800 0.022 0.000 2.716 280 G HA2 -0.190 3.770 3.960 0.001 0.000 0.686 280 G HA3 -0.190 3.770 3.960 0.001 0.000 0.686 280 G C -0.280 174.610 174.900 -0.017 0.000 1.337 280 G CA -0.208 44.911 45.100 0.033 0.000 0.829 280 G HN 0.199 nan 8.290 nan 0.000 0.599 281 T N -0.483 114.064 114.554 -0.013 0.000 2.942 281 T HA 1.032 5.383 4.350 0.001 0.000 0.289 281 T C 0.178 174.868 174.700 -0.016 0.000 1.044 281 T CA 0.806 62.885 62.100 -0.036 0.000 1.023 281 T CB 1.538 70.385 68.868 -0.035 0.000 1.123 281 T HN 2.460 nan 8.240 nan 0.000 0.512 282 A N 0.954 123.759 122.820 -0.024 0.000 2.589 282 A HA 0.822 5.143 4.320 0.001 0.000 0.296 282 A C -0.131 177.465 177.584 0.021 0.000 1.062 282 A CA -0.513 51.527 52.037 0.004 0.000 0.686 282 A CB 0.863 19.869 19.000 0.010 0.000 1.282 282 A HN 1.310 nan 8.150 nan 0.000 0.404 283 R N -0.137 120.388 120.500 0.042 0.000 2.543 283 R HA 0.458 4.799 4.340 0.001 0.000 0.277 283 R C 0.163 176.518 176.300 0.092 0.000 1.074 283 R CA 0.316 56.453 56.100 0.061 0.000 1.076 283 R CB -0.957 29.376 30.300 0.054 0.000 0.993 283 R HN 1.348 nan 8.270 nan 0.000 0.459 284 C N 2.281 121.650 119.300 0.116 0.000 2.667 284 C HA 0.542 5.002 4.460 0.001 0.000 0.392 284 C C 1.732 176.786 174.990 0.106 0.000 1.332 284 C CA 0.299 59.405 59.018 0.146 0.000 1.594 284 C CB -1.118 26.707 27.740 0.143 0.000 2.345 284 C HN 1.052 nan 8.230 nan 0.000 0.594 285 K N 1.940 122.405 120.400 0.109 0.000 2.735 285 K HA 0.140 4.461 4.320 0.001 0.000 0.197 285 K C 1.395 178.039 176.600 0.074 0.000 1.468 285 K CA 0.321 56.655 56.287 0.078 0.000 1.109 285 K CB -0.353 32.186 32.500 0.065 0.000 1.732 285 K HN 0.630 nan 8.250 nan 0.000 0.541 286 E N -0.303 119.955 120.200 0.096 0.000 2.299 286 E HA 0.193 4.544 4.350 0.001 0.000 0.193 286 E C 1.334 177.985 176.600 0.086 0.000 0.998 286 E CA 0.499 56.948 56.400 0.081 0.000 0.851 286 E CB -0.064 29.688 29.700 0.087 0.000 0.795 286 E HN 0.444 nan 8.360 nan 0.000 0.492 287 F N 1.505 121.410 119.950 -0.074 0.000 2.811 287 F HA 0.119 4.646 4.527 0.001 0.000 0.301 287 F C 1.627 177.336 175.800 -0.151 0.000 1.151 287 F CA 0.294 58.188 58.000 -0.177 0.000 1.412 287 F CB 0.251 39.013 39.000 -0.396 0.000 1.113 287 F HN -0.182 nan 8.300 nan 0.000 0.579 288 R N -0.128 120.365 120.500 -0.011 0.000 2.246 288 R HA 0.077 4.417 4.340 0.001 0.000 0.199 288 R C 0.152 176.409 176.300 -0.071 0.000 0.984 288 R CA 0.402 56.481 56.100 -0.034 0.000 1.015 288 R CB 0.060 30.364 30.300 0.008 0.000 0.930 288 R HN 0.264 nan 8.270 nan 0.000 0.475 289 E N -0.072 120.081 120.200 -0.079 0.000 2.179 289 E HA 0.213 4.563 4.350 0.001 0.000 0.275 289 E C 0.870 177.401 176.600 -0.115 0.000 0.945 289 E CA -0.166 56.190 56.400 -0.074 0.000 0.792 289 E CB 1.531 31.208 29.700 -0.038 0.000 1.125 289 E HN 0.130 nan 8.360 nan 0.000 0.397 290 R N 1.643 122.086 120.500 -0.094 0.000 2.091 290 R HA -0.213 4.128 4.340 0.001 0.000 0.238 290 R C 2.146 178.402 176.300 -0.073 0.000 1.136 290 R CA 2.511 58.555 56.100 -0.092 0.000 0.959 290 R CB -1.972 28.290 30.300 -0.064 0.000 0.856 290 R HN 0.801 nan 8.270 nan 0.000 0.437 291 W N 0.485 121.754 121.300 -0.052 0.000 2.595 291 W HA 0.315 4.976 4.660 0.001 0.000 0.257 291 W C 2.507 179.015 176.519 -0.019 0.000 1.267 291 W CA 0.720 58.045 57.345 -0.033 0.000 1.300 291 W CB -0.847 28.596 29.460 -0.028 0.000 1.120 291 W HN 0.616 nan 8.180 nan 0.000 0.618 292 G N -0.277 108.502 108.800 -0.034 0.000 2.411 292 G HA2 -0.046 3.914 3.960 0.001 0.000 0.213 292 G HA3 -0.046 3.914 3.960 0.001 0.000 0.213 292 G C 1.746 176.638 174.900 -0.014 0.000 1.166 292 G CA 0.947 46.044 45.100 -0.004 0.000 0.802 292 G HN 0.463 nan 8.290 nan 0.000 0.533 293 R N -0.365 120.036 120.500 -0.165 0.000 2.115 293 R HA 0.183 4.523 4.340 0.001 0.000 0.230 293 R C 2.470 178.872 176.300 0.170 0.000 1.111 293 R CA 0.458 56.445 56.100 -0.188 0.000 0.976 293 R CB -0.408 29.692 30.300 -0.334 0.000 0.870 293 R HN 0.305 nan 8.270 nan 0.000 0.445 294 L N 1.054 122.319 121.223 0.070 0.000 2.017 294 L HA -0.271 4.069 4.340 0.001 0.000 0.208 294 L C 3.003 179.947 176.870 0.123 0.000 1.073 294 L CA 2.033 56.911 54.840 0.063 0.000 0.745 294 L CB -0.525 41.534 42.059 -0.001 0.000 0.894 294 L HN 0.285 nan 8.230 nan 0.000 0.432 295 Q N -0.646 119.224 119.800 0.117 0.000 2.079 295 Q HA -0.167 4.174 4.340 0.001 0.000 0.200 295 Q C 2.210 178.356 176.000 0.244 0.000 0.974 295 Q CA 1.772 57.668 55.803 0.155 0.000 0.840 295 Q CB -1.150 27.649 28.738 0.101 0.000 0.898 295 Q HN 0.722 nan 8.270 nan 0.000 0.430 296 A N -0.094 122.885 122.820 0.266 0.000 1.933 296 A HA -0.135 4.185 4.320 0.001 0.000 0.218 296 A C 2.629 180.493 177.584 0.467 0.000 1.175 296 A CA 1.644 53.872 52.037 0.319 0.000 0.628 296 A CB -1.280 17.912 19.000 0.320 0.000 0.814 296 A HN 0.964 nan 8.150 nan 0.000 0.444 297 C N -1.871 117.757 119.300 0.547 0.000 2.462 297 C HA -0.110 4.350 4.460 0.001 0.000 0.278 297 C C 2.429 177.537 174.990 0.196 0.000 1.253 297 C CA 1.283 60.548 59.018 0.412 0.000 1.713 297 C CB -1.399 26.320 27.740 -0.035 0.000 2.049 297 C HN 0.702 nan 8.230 nan 0.000 0.477 298 Y N 2.986 123.316 120.300 0.049 0.000 2.069 298 Y HA -0.223 4.328 4.550 0.001 0.000 0.278 298 Y C 2.266 178.188 175.900 0.037 0.000 1.175 298 Y CA 2.606 60.714 58.100 0.014 0.000 1.134 298 Y CB -0.816 37.652 38.460 0.013 0.000 0.965 298 Y HN 0.407 nan 8.280 nan 0.000 0.498 299 N N 0.046 118.791 118.700 0.074 0.000 2.137 299 N HA -0.238 4.503 4.740 0.001 0.000 0.190 299 N C 1.906 177.371 175.510 -0.074 0.000 1.017 299 N CA 2.118 55.157 53.050 -0.019 0.000 0.859 299 N CB -0.528 38.024 38.487 0.109 0.000 1.002 299 N HN 0.503 nan 8.380 nan 0.000 0.428 300 M N 0.057 119.684 119.600 0.046 0.000 2.077 300 M HA -0.102 4.378 4.480 0.001 0.000 0.261 300 M C 2.082 178.288 176.300 -0.157 0.000 1.070 300 M CA 1.142 56.467 55.300 0.042 0.000 1.125 300 M CB -0.247 32.535 32.600 0.304 0.000 1.339 300 M HN -0.084 nan 8.290 nan 0.000 0.409 301 V N -0.207 119.598 119.914 -0.182 0.000 2.255 301 V HA -0.260 3.860 4.120 0.001 0.000 0.247 301 V C 2.317 178.152 176.094 -0.433 0.000 1.051 301 V CA 2.222 64.275 62.300 -0.410 0.000 1.018 301 V CB -1.185 30.526 31.823 -0.187 0.000 0.641 301 V HN 0.435 nan 8.190 nan 0.000 0.445 302 S N 1.024 116.454 115.700 -0.450 0.000 2.359 302 S HA -0.214 4.256 4.470 0.001 0.000 0.224 302 S C 1.610 176.049 174.600 -0.268 0.000 1.035 302 S CA 1.989 59.934 58.200 -0.425 0.000 1.018 302 S CB -0.564 62.236 63.200 -0.666 0.000 0.876 302 S HN 0.685 nan 8.310 nan 0.000 0.448 303 N N 0.692 119.236 118.700 -0.260 0.000 2.449 303 N HA 0.266 5.007 4.740 0.001 0.000 0.191 303 N C 0.960 176.313 175.510 -0.261 0.000 1.161 303 N CA 0.563 53.472 53.050 -0.234 0.000 0.863 303 N CB 0.027 38.376 38.487 -0.229 0.000 0.980 303 N HN 0.465 nan 8.380 nan 0.000 0.458 304 G N 0.439 109.079 108.800 -0.266 0.000 2.225 304 G HA2 -0.257 3.704 3.960 0.001 0.000 0.267 304 G HA3 -0.257 3.704 3.960 0.001 0.000 0.267 304 G C -0.191 174.623 174.900 -0.142 0.000 1.024 304 G CA -0.243 44.743 45.100 -0.189 0.000 0.784 304 G HN 0.212 nan 8.290 nan 0.000 0.507 305 I N 1.372 121.808 120.570 -0.223 0.000 2.436 305 I HA 0.219 4.389 4.170 0.001 0.000 0.289 305 I C 0.901 177.013 176.117 -0.007 0.000 1.083 305 I CA 0.021 61.259 61.300 -0.104 0.000 1.372 305 I CB 0.836 38.782 38.000 -0.089 0.000 1.408 305 I HN 0.290 nan 8.210 nan 0.000 0.516 306 D N 3.623 124.070 120.400 0.078 0.000 2.417 306 D HA 0.349 4.990 4.640 0.001 0.000 0.207 306 D C 0.436 176.734 176.300 -0.005 0.000 1.075 306 D CA -0.023 54.056 54.000 0.131 0.000 0.851 306 D CB 0.557 41.444 40.800 0.145 0.000 0.976 306 D HN 0.486 nan 8.370 nan 0.000 0.505 307 A N 0.185 122.994 122.820 -0.018 0.000 2.486 307 A HA 0.679 4.999 4.320 0.001 0.000 0.300 307 A C -1.928 175.636 177.584 -0.033 0.000 1.048 307 A CA -0.783 51.224 52.037 -0.049 0.000 0.696 307 A CB 1.646 20.629 19.000 -0.028 0.000 1.278 307 A HN 0.121 nan 8.150 nan 0.000 0.405 308 L N 2.060 123.256 121.223 -0.045 0.000 2.385 308 L HA 0.766 5.107 4.340 0.001 0.000 0.273 308 L C -1.341 175.510 176.870 -0.031 0.000 0.990 308 L CA -0.401 54.427 54.840 -0.019 0.000 0.821 308 L CB 2.205 44.285 42.059 0.035 0.000 1.279 308 L HN 0.460 nan 8.230 nan 0.000 0.412 309 V N 5.652 125.536 119.914 -0.049 0.000 2.376 309 V HA 0.464 4.584 4.120 0.001 0.000 0.287 309 V C -0.553 175.483 176.094 -0.098 0.000 1.015 309 V CA -0.691 61.570 62.300 -0.064 0.000 0.834 309 V CB 1.726 33.510 31.823 -0.065 0.000 1.001 309 V HN 0.484 nan 8.190 nan 0.000 0.428 310 V N 4.393 124.253 119.914 -0.090 0.000 2.333 310 V HA 0.258 4.379 4.120 0.001 0.000 0.274 310 V C 0.143 176.167 176.094 -0.117 0.000 1.028 310 V CA -0.387 61.833 62.300 -0.133 0.000 0.851 310 V CB 1.359 33.139 31.823 -0.072 0.000 1.000 310 V HN 0.997 nan 8.190 nan 0.000 0.456 311 C N 5.830 125.042 119.300 -0.147 0.000 2.225 311 C HA 0.898 5.359 4.460 0.001 0.000 0.323 311 C C 0.675 175.593 174.990 -0.120 0.000 1.164 311 C CA 0.337 59.283 59.018 -0.120 0.000 1.565 311 C CB -1.210 26.458 27.740 -0.120 0.000 2.124 311 C HN 1.080 nan 8.230 nan 0.000 0.461 312 G N 3.552 112.300 108.800 -0.088 0.000 2.619 312 G HA2 0.675 4.635 3.960 0.001 0.000 0.305 312 G HA3 0.675 4.635 3.960 0.001 0.000 0.305 312 G C -0.235 174.642 174.900 -0.039 0.000 1.330 312 G CA 0.084 45.143 45.100 -0.069 0.000 0.789 312 G HN 1.010 nan 8.290 nan 0.000 0.487 313 G N -1.053 107.734 108.800 -0.021 0.000 2.510 313 G HA2 0.410 4.371 3.960 0.001 0.000 0.280 313 G HA3 0.410 4.371 3.960 0.001 0.000 0.280 313 G C 0.484 175.378 174.900 -0.010 0.000 1.386 313 G CA 0.631 45.723 45.100 -0.013 0.000 1.047 313 G HN 0.505 nan 8.290 nan 0.000 0.527 314 D N -0.381 120.003 120.400 -0.026 0.000 2.126 314 D HA -0.120 4.521 4.640 0.001 0.000 0.190 314 D C 2.464 178.749 176.300 -0.025 0.000 1.001 314 D CA 1.937 55.907 54.000 -0.049 0.000 0.841 314 D CB -0.297 40.432 40.800 -0.120 0.000 0.949 314 D HN 0.423 nan 8.370 nan 0.000 0.446 315 G N -0.128 108.664 108.800 -0.015 0.000 2.418 315 G HA2 -0.258 3.703 3.960 0.001 0.000 0.217 315 G HA3 -0.258 3.703 3.960 0.001 0.000 0.217 315 G C 1.742 176.690 174.900 0.081 0.000 1.158 315 G CA 0.959 46.073 45.100 0.023 0.000 0.771 315 G HN 0.232 nan 8.290 nan 0.000 0.545 316 S N 0.400 116.158 115.700 0.097 0.000 2.383 316 S HA 0.031 4.502 4.470 0.001 0.000 0.227 316 S C 2.238 176.947 174.600 0.182 0.000 1.026 316 S CA 0.715 59.027 58.200 0.186 0.000 0.981 316 S CB -0.161 63.082 63.200 0.072 0.000 0.818 316 S HN 0.309 nan 8.310 nan 0.000 0.472 317 L N 0.812 122.091 121.223 0.092 0.000 2.240 317 L HA -0.013 4.328 4.340 0.001 0.000 0.211 317 L C 2.484 179.405 176.870 0.085 0.000 1.106 317 L CA 0.872 55.760 54.840 0.079 0.000 0.793 317 L CB -0.947 41.131 42.059 0.031 0.000 0.927 317 L HN 0.254 nan 8.230 nan 0.000 0.446 318 T N -0.101 114.493 114.554 0.066 0.000 2.821 318 T HA -0.107 4.244 4.350 0.001 0.000 0.267 318 T C 1.889 176.643 174.700 0.090 0.000 1.046 318 T CA 1.378 63.511 62.100 0.055 0.000 1.139 318 T CB -0.383 68.500 68.868 0.024 0.000 0.871 318 T HN 0.545 nan 8.240 nan 0.000 0.454 319 G N 1.056 109.929 108.800 0.123 0.000 2.404 319 G HA2 0.003 3.964 3.960 0.001 0.000 0.215 319 G HA3 0.003 3.964 3.960 0.001 0.000 0.215 319 G C 1.842 176.916 174.900 0.290 0.000 1.174 319 G CA 0.800 46.002 45.100 0.170 0.000 0.780 319 G HN 0.558 nan 8.290 nan 0.000 0.537 320 A N 1.069 124.056 122.820 0.277 0.000 1.902 320 A HA -0.088 4.232 4.320 0.001 0.000 0.217 320 A C 2.023 179.766 177.584 0.265 0.000 1.181 320 A CA 2.241 54.469 52.037 0.318 0.000 0.623 320 A CB -0.616 18.521 19.000 0.229 0.000 0.818 320 A HN 0.447 nan 8.150 nan 0.000 0.443 321 D N -0.789 119.712 120.400 0.169 0.000 2.117 321 D HA -0.140 4.501 4.640 0.001 0.000 0.197 321 D C 1.744 178.116 176.300 0.120 0.000 0.987 321 D CA 1.270 55.339 54.000 0.114 0.000 0.829 321 D CB -0.160 40.682 40.800 0.071 0.000 0.961 321 D HN 0.289 nan 8.370 nan 0.000 0.460 322 L N -0.742 120.560 121.223 0.132 0.000 2.156 322 L HA 0.060 4.400 4.340 0.001 0.000 0.208 322 L C 1.997 178.958 176.870 0.152 0.000 1.095 322 L CA 1.018 55.916 54.840 0.098 0.000 0.770 322 L CB -0.421 41.665 42.059 0.044 0.000 0.914 322 L HN 0.163 nan 8.230 nan 0.000 0.439 323 F N 0.423 120.411 119.950 0.063 0.000 2.186 323 F HA -0.255 4.272 4.527 0.001 0.000 0.299 323 F C 2.518 178.427 175.800 0.183 0.000 1.090 323 F CA 1.352 59.426 58.000 0.123 0.000 1.307 323 F CB 0.022 39.211 39.000 0.316 0.000 1.019 323 F HN 0.111 nan 8.300 nan 0.000 0.489 324 R N 1.171 121.766 120.500 0.159 0.000 2.090 324 R HA 0.001 4.341 4.340 0.001 0.000 0.228 324 R C 2.123 178.449 176.300 0.042 0.000 1.110 324 R CA 1.614 57.730 56.100 0.026 0.000 0.973 324 R CB -1.330 28.972 30.300 0.003 0.000 0.869 324 R HN 0.160 nan 8.270 nan 0.000 0.440 325 K N 1.723 122.156 120.400 0.055 0.000 2.057 325 K HA -0.082 4.239 4.320 0.001 0.000 0.206 325 K C 1.887 178.509 176.600 0.037 0.000 1.050 325 K CA 1.809 58.120 56.287 0.040 0.000 0.935 325 K CB -0.764 31.756 32.500 0.034 0.000 0.715 325 K HN 0.669 nan 8.250 nan 0.000 0.439 326 E N -1.300 118.919 120.200 0.032 0.000 2.489 326 E HA -0.015 4.336 4.350 0.001 0.000 0.193 326 E C 1.665 178.251 176.600 -0.023 0.000 1.057 326 E CA -0.305 56.095 56.400 0.001 0.000 0.866 326 E CB 0.020 29.715 29.700 -0.008 0.000 0.916 326 E HN 0.686 nan 8.360 nan 0.000 0.500 327 W N 2.221 123.385 121.300 -0.228 0.000 2.355 327 W HA -0.057 4.604 4.660 0.001 0.000 0.309 327 W C -1.237 175.194 176.519 -0.146 0.000 1.206 327 W CA 0.907 58.083 57.345 -0.282 0.000 1.284 327 W CB -1.043 28.193 29.460 -0.374 0.000 1.145 327 W HN 0.031 nan 8.180 nan 0.000 0.502 328 P HA -0.148 nan 4.420 nan 0.000 0.227 328 P C -0.651 176.632 177.300 -0.027 0.000 1.145 328 P CA 1.506 64.632 63.100 0.043 0.000 0.769 328 P CB -0.328 31.411 31.700 0.065 0.000 0.769 329 E N 0.103 120.253 120.200 -0.082 0.000 1.993 329 E HA 0.279 4.630 4.350 0.001 0.000 0.271 329 E C -0.460 176.048 176.600 -0.155 0.000 1.008 329 E CA -0.018 56.332 56.400 -0.083 0.000 0.814 329 E CB 0.010 29.672 29.700 -0.063 0.000 1.098 329 E HN 0.172 nan 8.360 nan 0.000 0.407 330 L N 4.777 125.945 121.223 -0.092 0.000 2.345 330 L HA 0.483 4.824 4.340 0.001 0.000 0.274 330 L C -0.317 176.539 176.870 -0.024 0.000 0.999 330 L CA -0.676 54.115 54.840 -0.082 0.000 0.849 330 L CB 0.771 42.831 42.059 0.002 0.000 1.220 330 L HN 0.386 nan 8.230 nan 0.000 0.422 331 I N 3.264 123.805 120.570 -0.049 0.000 2.519 331 I HA 0.219 4.390 4.170 0.001 0.000 0.287 331 I C 0.167 176.267 176.117 -0.030 0.000 1.047 331 I CA -0.164 61.109 61.300 -0.045 0.000 1.381 331 I CB 0.777 38.747 38.000 -0.050 0.000 1.417 331 I HN 0.521 nan 8.210 nan 0.000 0.540 332 K N 5.956 126.330 120.400 -0.044 0.000 2.324 332 K HA 0.362 4.682 4.320 0.001 0.000 0.253 332 K C -0.640 175.939 176.600 -0.035 0.000 0.932 332 K CA -0.834 55.431 56.287 -0.037 0.000 0.799 332 K CB 2.230 34.688 32.500 -0.071 0.000 1.154 332 K HN 0.548 nan 8.250 nan 0.000 0.425 343 E N 1.409 121.659 120.200 0.084 0.000 2.219 343 E HA -0.250 4.100 4.350 0.001 0.000 0.198 343 E C 1.123 177.777 176.600 0.091 0.000 0.998 343 E CA 1.960 58.406 56.400 0.076 0.000 0.818 343 E CB 0.108 29.835 29.700 0.046 0.000 0.741 343 E HN 0.585 nan 8.360 nan 0.000 0.477 344 Q N -0.735 119.142 119.800 0.129 0.000 2.112 344 Q HA -0.253 4.088 4.340 0.001 0.000 0.206 344 Q C 1.834 177.961 176.000 0.213 0.000 0.987 344 Q CA 2.065 57.992 55.803 0.206 0.000 0.858 344 Q CB -0.381 28.462 28.738 0.175 0.000 0.905 344 Q HN 0.465 nan 8.270 nan 0.000 0.420 345 Y N 1.304 121.648 120.300 0.075 0.000 2.070 345 Y HA -0.286 4.265 4.550 0.001 0.000 0.280 345 Y C 2.105 178.030 175.900 0.042 0.000 1.148 345 Y CA 1.929 60.059 58.100 0.049 0.000 1.125 345 Y CB 0.040 38.510 38.460 0.015 0.000 0.975 345 Y HN 0.010 nan 8.280 nan 0.000 0.492 346 E N -0.569 119.681 120.200 0.084 0.000 2.106 346 E HA -0.117 4.233 4.350 0.001 0.000 0.192 346 E C 2.173 178.707 176.600 -0.111 0.000 0.984 346 E CA 1.804 58.197 56.400 -0.012 0.000 0.806 346 E CB -0.372 29.373 29.700 0.075 0.000 0.750 346 E HN 0.518 nan 8.360 nan 0.000 0.458 347 T N -0.487 113.984 114.554 -0.140 0.000 2.588 347 T HA -0.129 4.222 4.350 0.001 0.000 0.261 347 T C 0.560 175.026 174.700 -0.390 0.000 1.069 347 T CA 1.644 63.553 62.100 -0.318 0.000 1.172 347 T CB -0.434 68.174 68.868 -0.433 0.000 0.863 347 T HN 0.314 nan 8.240 nan 0.000 0.408 348 H N 0.559 119.627 119.070 -0.004 0.000 2.713 348 H HA 0.384 4.941 4.556 0.001 0.000 0.294 348 H C 1.576 176.962 175.328 0.097 0.000 1.366 348 H CA -0.240 55.855 56.048 0.079 0.000 1.139 348 H CB 0.071 29.928 29.762 0.157 0.000 1.487 348 H HN 0.081 nan 8.280 nan 0.000 0.504 349 R N 0.741 121.226 120.500 -0.024 0.000 2.127 349 R HA 0.056 4.396 4.340 0.001 0.000 0.217 349 R C -0.370 176.005 176.300 0.126 0.000 1.074 349 R CA 0.485 56.495 56.100 -0.150 0.000 0.991 349 R CB 0.425 30.518 30.300 -0.344 0.000 0.895 349 R HN 0.367 nan 8.270 nan 0.000 0.450 350 N N 1.722 120.468 118.700 0.078 0.000 2.511 350 N HA 0.082 4.823 4.740 0.001 0.000 0.249 350 N C -1.120 174.293 175.510 -0.161 0.000 0.971 350 N CA -0.396 52.653 53.050 -0.001 0.000 0.938 350 N CB 2.047 40.510 38.487 -0.040 0.000 1.131 350 N HN -0.013 nan 8.380 nan 0.000 0.505 351 L N 2.354 123.280 121.223 -0.495 0.000 2.455 351 L HA 0.145 4.486 4.340 0.001 0.000 0.272 351 L C 0.044 176.649 176.870 -0.442 0.000 1.174 351 L CA 0.668 54.971 54.840 -0.896 0.000 0.869 351 L CB 0.351 41.462 42.059 -1.580 0.000 1.130 351 L HN 0.391 nan 8.230 nan 0.000 0.474 352 T N 7.426 121.775 114.554 -0.341 0.000 2.801 352 T HA 0.473 4.824 4.350 0.001 0.000 0.306 352 T C -0.321 174.276 174.700 -0.173 0.000 1.020 352 T CA -0.032 61.951 62.100 -0.195 0.000 0.948 352 T CB 0.057 68.848 68.868 -0.128 0.000 0.962 352 T HN 0.536 nan 8.240 nan 0.000 0.465 353 I N 3.986 124.475 120.570 -0.135 0.000 2.466 353 I HA 0.643 4.814 4.170 0.001 0.000 0.289 353 I C -1.234 174.856 176.117 -0.046 0.000 1.026 353 I CA -0.813 60.443 61.300 -0.074 0.000 1.078 353 I CB 1.166 39.145 38.000 -0.035 0.000 1.249 353 I HN 0.280 nan 8.210 nan 0.000 0.429 354 V N 6.161 126.053 119.914 -0.036 0.000 2.680 354 V HA 0.744 4.865 4.120 0.001 0.000 0.309 354 V C 0.292 176.369 176.094 -0.030 0.000 1.052 354 V CA -0.514 61.765 62.300 -0.036 0.000 0.908 354 V CB 1.806 33.601 31.823 -0.046 0.000 1.001 354 V HN 0.843 nan 8.190 nan 0.000 0.431 355 G N 3.741 112.524 108.800 -0.027 0.000 2.470 355 G HA2 0.720 4.681 3.960 0.001 0.000 0.320 355 G HA3 0.720 4.681 3.960 0.001 0.000 0.320 355 G C -1.288 173.586 174.900 -0.044 0.000 1.245 355 G CA -0.526 44.557 45.100 -0.028 0.000 0.935 355 G HN 0.561 nan 8.290 nan 0.000 0.476 356 L N 1.746 122.935 121.223 -0.058 0.000 2.329 356 L HA 0.425 4.766 4.340 0.001 0.000 0.279 356 L C -0.193 176.638 176.870 -0.064 0.000 1.014 356 L CA -1.184 53.615 54.840 -0.069 0.000 0.814 356 L CB 2.451 44.458 42.059 -0.087 0.000 1.257 356 L HN 0.228 nan 8.230 nan 0.000 0.424 357 V N 1.799 121.675 119.914 -0.062 0.000 2.322 357 V HA 0.313 4.434 4.120 0.001 0.000 0.258 357 V C 0.802 176.859 176.094 -0.062 0.000 1.074 357 V CA -0.478 61.788 62.300 -0.057 0.000 0.909 357 V CB 0.579 32.371 31.823 -0.052 0.000 1.090 357 V HN 0.884 nan 8.190 nan 0.000 0.486 358 G N 3.246 112.010 108.800 -0.061 0.000 2.696 358 G HA2 0.501 4.461 3.960 0.001 0.000 0.329 358 G HA3 0.501 4.461 3.960 0.001 0.000 0.329 358 G C -0.030 174.845 174.900 -0.043 0.000 0.973 358 G CA -0.063 45.003 45.100 -0.057 0.000 1.257 358 G HN 0.832 nan 8.290 nan 0.000 0.456 359 S N 2.339 118.015 115.700 -0.040 0.000 2.603 359 S HA 0.254 4.725 4.470 0.001 0.000 0.274 359 S C 0.972 175.555 174.600 -0.030 0.000 1.168 359 S CA -0.673 57.510 58.200 -0.029 0.000 0.963 359 S CB 1.018 64.200 63.200 -0.031 0.000 1.078 359 S HN 0.833 nan 8.310 nan 0.000 0.477 360 I N 0.598 121.165 120.570 -0.004 0.000 2.546 360 I HA 0.101 4.272 4.170 0.001 0.000 0.255 360 I C 1.814 177.949 176.117 0.031 0.000 1.163 360 I CA 1.028 62.337 61.300 0.015 0.000 1.457 360 I CB -0.285 37.729 38.000 0.024 0.000 1.092 360 I HN 0.613 nan 8.210 nan 0.000 0.434 361 D N 2.184 122.602 120.400 0.031 0.000 2.126 361 D HA -0.324 4.317 4.640 0.001 0.000 0.190 361 D C 1.173 177.490 176.300 0.028 0.000 1.001 361 D CA 1.978 56.014 54.000 0.060 0.000 0.841 361 D CB -0.254 40.586 40.800 0.067 0.000 0.949 361 D HN 0.553 nan 8.370 nan 0.000 0.446 362 N N -0.138 118.490 118.700 -0.119 0.000 2.776 362 N HA -0.204 4.536 4.740 0.001 0.000 0.249 362 N C 0.083 175.499 175.510 -0.157 0.000 1.111 362 N CA 1.049 53.914 53.050 -0.309 0.000 0.711 362 N CB -1.416 36.525 38.487 -0.909 0.000 1.065 362 N HN 0.265 nan 8.380 nan 0.000 0.556 363 D N -0.405 119.962 120.400 -0.055 0.000 2.137 363 D HA 0.014 4.654 4.640 0.001 0.000 0.202 363 D C 0.925 177.193 176.300 -0.054 0.000 0.970 363 D CA 0.537 54.524 54.000 -0.021 0.000 0.837 363 D CB 0.032 40.850 40.800 0.031 0.000 0.981 363 D HN 0.451 nan 8.370 nan 0.000 0.475 364 M N 1.087 120.650 119.600 -0.062 0.000 2.255 364 M HA -0.014 4.466 4.480 0.001 0.000 0.356 364 M C -0.576 175.692 176.300 -0.054 0.000 1.338 364 M CA -0.008 55.259 55.300 -0.056 0.000 0.962 364 M CB 0.025 32.593 32.600 -0.052 0.000 1.877 364 M HN 0.094 nan 8.290 nan 0.000 0.463 365 C N 4.058 123.332 119.300 -0.042 0.000 2.604 365 C HA 0.615 5.075 4.460 0.001 0.000 0.396 365 C C 1.639 176.617 174.990 -0.020 0.000 1.282 365 C CA 0.480 59.479 59.018 -0.032 0.000 2.292 365 C CB 0.042 27.764 27.740 -0.029 0.000 2.633 365 C HN 1.107 nan 8.230 nan 0.000 0.620 366 G N 1.715 110.509 108.800 -0.009 0.000 2.253 366 G HA2 -0.206 3.754 3.960 0.001 0.000 0.251 366 G HA3 -0.206 3.754 3.960 0.001 0.000 0.251 366 G C 0.232 175.136 174.900 0.007 0.000 0.998 366 G CA 0.584 45.685 45.100 0.001 0.000 0.621 366 G HN 0.910 nan 8.290 nan 0.000 0.524 367 T N -0.061 114.492 114.554 -0.002 0.000 2.829 367 T HA 0.547 4.898 4.350 0.001 0.000 0.280 367 T C 0.794 175.499 174.700 0.009 0.000 0.999 367 T CA 0.205 62.310 62.100 0.007 0.000 0.983 367 T CB 1.318 70.182 68.868 -0.007 0.000 0.968 367 T HN -0.013 nan 8.240 nan 0.000 0.446 368 D N 1.974 122.403 120.400 0.048 0.000 2.224 368 D HA 0.072 4.712 4.640 0.001 0.000 0.205 368 D C 0.521 176.835 176.300 0.023 0.000 0.965 368 D CA 0.962 55.002 54.000 0.067 0.000 0.852 368 D CB 0.238 41.106 40.800 0.113 0.000 0.947 368 D HN 0.618 nan 8.370 nan 0.000 0.494 369 S N -1.597 114.127 115.700 0.040 0.000 2.533 369 S HA 0.521 4.991 4.470 0.001 0.000 0.271 369 S C -0.390 174.212 174.600 0.004 0.000 1.143 369 S CA -1.035 57.158 58.200 -0.012 0.000 0.891 369 S CB 1.905 65.292 63.200 0.312 0.000 1.105 369 S HN 0.034 nan 8.310 nan 0.000 0.468 370 T N -0.453 114.039 114.554 -0.105 0.000 2.929 370 T HA 0.682 5.033 4.350 0.001 0.000 0.284 370 T C 0.196 174.882 174.700 -0.023 0.000 1.014 370 T CA -1.016 61.041 62.100 -0.072 0.000 1.051 370 T CB 0.259 69.059 68.868 -0.113 0.000 1.028 370 T HN 0.662 nan 8.240 nan 0.000 0.485 371 I N 2.376 122.923 120.570 -0.037 0.000 2.581 371 I HA 0.382 4.553 4.170 0.001 0.000 0.285 371 I C 1.597 177.706 176.117 -0.013 0.000 1.129 371 I CA 0.888 62.167 61.300 -0.035 0.000 1.397 371 I CB -0.236 37.718 38.000 -0.077 0.000 1.399 371 I HN 1.146 nan 8.210 nan 0.000 0.537 372 G N 4.163 112.982 108.800 0.032 0.000 2.307 372 G HA2 -0.278 3.683 3.960 0.001 0.000 0.210 372 G HA3 -0.278 3.683 3.960 0.001 0.000 0.210 372 G C 1.076 176.022 174.900 0.076 0.000 1.005 372 G CA 0.356 45.482 45.100 0.043 0.000 0.634 372 G HN 0.746 nan 8.290 nan 0.000 0.496 373 A N 0.136 122.982 122.820 0.043 0.000 1.873 373 A HA 0.080 4.400 4.320 0.001 0.000 0.218 373 A C 1.996 179.679 177.584 0.166 0.000 1.193 373 A CA 2.399 54.433 52.037 -0.004 0.000 0.629 373 A CB -0.710 18.052 19.000 -0.397 0.000 0.826 373 A HN 0.804 nan 8.150 nan 0.000 0.447 374 Y N 0.584 121.063 120.300 0.298 0.000 2.242 374 Y HA -0.141 4.410 4.550 0.001 0.000 0.291 374 Y C 3.073 179.104 175.900 0.218 0.000 1.137 374 Y CA 1.513 59.819 58.100 0.343 0.000 1.181 374 Y CB -0.318 38.363 38.460 0.369 0.000 0.989 374 Y HN 0.284 nan 8.280 nan 0.000 0.527 375 S N -1.025 114.851 115.700 0.293 0.000 2.368 375 S HA -0.229 4.242 4.470 0.001 0.000 0.225 375 S C 2.291 176.966 174.600 0.125 0.000 1.030 375 S CA 1.374 59.680 58.200 0.177 0.000 0.999 375 S CB -0.596 62.677 63.200 0.121 0.000 0.844 375 S HN 0.436 nan 8.310 nan 0.000 0.459 376 S N 1.143 116.911 115.700 0.113 0.000 2.368 376 S HA -0.078 4.393 4.470 0.001 0.000 0.225 376 S C 1.850 176.497 174.600 0.079 0.000 1.030 376 S CA 1.022 59.268 58.200 0.077 0.000 0.999 376 S CB -0.462 62.783 63.200 0.075 0.000 0.844 376 S HN 0.358 nan 8.310 nan 0.000 0.459 377 L N 2.144 123.432 121.223 0.109 0.000 2.079 377 L HA -0.042 4.298 4.340 0.001 0.000 0.210 377 L C 2.294 179.194 176.870 0.050 0.000 1.081 377 L CA 1.953 56.822 54.840 0.049 0.000 0.752 377 L CB -0.837 41.227 42.059 0.010 0.000 0.896 377 L HN 0.206 nan 8.230 nan 0.000 0.433 378 E N -0.201 120.055 120.200 0.094 0.000 2.077 378 E HA -0.186 4.165 4.350 0.001 0.000 0.193 378 E C 2.281 178.906 176.600 0.042 0.000 0.989 378 E CA 0.877 57.321 56.400 0.073 0.000 0.800 378 E CB -0.220 29.537 29.700 0.096 0.000 0.746 378 E HN 0.491 nan 8.360 nan 0.000 0.452 379 R N 0.400 120.927 120.500 0.045 0.000 2.081 379 R HA -0.069 4.271 4.340 0.001 0.000 0.235 379 R C 2.562 178.881 176.300 0.032 0.000 1.131 379 R CA 0.715 56.837 56.100 0.036 0.000 0.960 379 R CB -0.902 29.417 30.300 0.031 0.000 0.856 379 R HN 0.276 nan 8.270 nan 0.000 0.436 380 I N 0.612 121.196 120.570 0.025 0.000 2.099 380 I HA -0.291 3.880 4.170 0.001 0.000 0.239 380 I C 2.200 178.325 176.117 0.012 0.000 1.066 380 I CA 1.226 62.537 61.300 0.018 0.000 1.324 380 I CB -0.394 37.606 38.000 -0.000 0.000 1.037 380 I HN -0.036 nan 8.210 nan 0.000 0.401 381 I N 0.546 121.116 120.570 0.001 0.000 2.208 381 I HA -0.300 3.870 4.170 0.001 0.000 0.245 381 I C 2.557 178.649 176.117 -0.042 0.000 1.097 381 I CA 1.546 62.840 61.300 -0.011 0.000 1.363 381 I CB -0.648 37.349 38.000 -0.006 0.000 1.051 381 I HN 0.235 nan 8.210 nan 0.000 0.413 382 E N 0.242 120.417 120.200 -0.042 0.000 2.086 382 E HA -0.241 4.110 4.350 0.001 0.000 0.200 382 E C 2.290 178.831 176.600 -0.098 0.000 1.012 382 E CA 1.459 57.804 56.400 -0.092 0.000 0.812 382 E CB -0.208 29.488 29.700 -0.008 0.000 0.743 382 E HN 0.415 nan 8.360 nan 0.000 0.453 383 L N 0.169 121.417 121.223 0.041 0.000 2.044 383 L HA -0.134 4.206 4.340 0.001 0.000 0.205 383 L C 2.610 179.530 176.870 0.085 0.000 1.075 383 L CA 0.829 55.753 54.840 0.139 0.000 0.747 383 L CB -0.609 41.516 42.059 0.109 0.000 0.903 383 L HN 0.055 nan 8.230 nan 0.000 0.435 384 V N -0.208 119.723 119.914 0.029 0.000 2.594 384 V HA -0.252 3.868 4.120 0.001 0.000 0.253 384 V C 1.981 178.070 176.094 -0.009 0.000 1.069 384 V CA 1.526 63.837 62.300 0.019 0.000 1.082 384 V CB -0.633 31.213 31.823 0.038 0.000 0.680 384 V HN 0.381 nan 8.190 nan 0.000 0.469 385 D N -0.783 119.573 120.400 -0.073 0.000 2.144 385 D HA -0.142 4.499 4.640 0.001 0.000 0.199 385 D C 2.025 178.236 176.300 -0.149 0.000 0.984 385 D CA 1.283 55.194 54.000 -0.149 0.000 0.834 385 D CB -0.230 40.420 40.800 -0.250 0.000 0.955 385 D HN 0.506 nan 8.370 nan 0.000 0.465 386 Y N 0.793 121.063 120.300 -0.049 0.000 2.163 386 Y HA -0.037 4.514 4.550 0.001 0.000 0.288 386 Y C 2.405 178.239 175.900 -0.110 0.000 1.136 386 Y CA 0.370 58.432 58.100 -0.064 0.000 1.147 386 Y CB -0.603 37.826 38.460 -0.052 0.000 0.987 386 Y HN -0.036 nan 8.280 nan 0.000 0.509 387 I N 0.078 120.648 120.570 -0.000 0.000 2.113 387 I HA -0.379 3.792 4.170 0.001 0.000 0.242 387 I C 1.799 177.775 176.117 -0.236 0.000 1.064 387 I CA 1.846 62.996 61.300 -0.250 0.000 1.320 387 I CB -0.410 37.395 38.000 -0.325 0.000 1.028 387 I HN 0.237 nan 8.210 nan 0.000 0.406 388 D N 1.118 121.463 120.400 -0.093 0.000 2.178 388 D HA -0.054 4.586 4.640 0.001 0.000 0.202 388 D C 1.444 177.741 176.300 -0.005 0.000 0.974 388 D CA 1.027 55.019 54.000 -0.012 0.000 0.841 388 D CB -0.131 40.707 40.800 0.063 0.000 0.953 388 D HN 0.299 nan 8.370 nan 0.000 0.478 389 A N 1.080 123.893 122.820 -0.011 0.000 3.074 389 A HA 0.336 4.656 4.320 0.001 0.000 0.251 389 A C 0.164 177.765 177.584 0.028 0.000 1.695 389 A CA -0.085 51.958 52.037 0.010 0.000 1.343 389 A CB -0.911 18.096 19.000 0.013 0.000 1.078 389 A HN 0.129 nan 8.150 nan 0.000 0.644 390 T N -2.144 112.424 114.554 0.024 0.000 2.916 390 T HA 0.685 5.036 4.350 0.001 0.000 0.305 390 T C -0.234 174.499 174.700 0.055 0.000 1.119 390 T CA -0.155 61.967 62.100 0.037 0.000 1.008 390 T CB 1.594 70.480 68.868 0.029 0.000 1.129 390 T HN 0.849 nan 8.240 nan 0.000 0.480 391 A N 1.802 124.657 122.820 0.060 0.000 2.454 391 A HA 0.683 5.004 4.320 0.001 0.000 0.260 391 A C 0.973 178.608 177.584 0.085 0.000 1.106 391 A CA -0.303 51.775 52.037 0.068 0.000 0.780 391 A CB -0.720 18.317 19.000 0.061 0.000 1.044 391 A HN 1.543 nan 8.150 nan 0.000 0.498 392 A N 3.338 126.213 122.820 0.092 0.000 2.587 392 A HA 0.438 4.759 4.320 0.001 0.000 0.233 392 A C 0.787 178.431 177.584 0.101 0.000 1.049 392 A CA 0.633 52.733 52.037 0.105 0.000 0.754 392 A CB -0.235 18.816 19.000 0.086 0.000 0.977 392 A HN 1.056 nan 8.150 nan 0.000 0.509 393 S N 0.460 116.227 115.700 0.111 0.000 2.578 393 S HA 0.373 4.843 4.470 0.001 0.000 0.301 393 S C 1.030 175.677 174.600 0.078 0.000 1.091 393 S CA -0.556 57.709 58.200 0.108 0.000 1.032 393 S CB 1.178 64.448 63.200 0.115 0.000 1.064 393 S HN 0.781 nan 8.310 nan 0.000 0.508 394 H N 1.637 120.728 119.070 0.035 0.000 2.387 394 H HA 0.008 4.565 4.556 0.001 0.000 0.299 394 H C -0.057 175.275 175.328 0.006 0.000 1.099 394 H CA 1.250 57.311 56.048 0.021 0.000 1.315 394 H CB 0.304 30.076 29.762 0.016 0.000 1.380 394 H HN 0.456 nan 8.280 nan 0.000 0.513 395 S N 0.928 116.658 115.700 0.050 0.000 2.407 395 S HA 0.314 4.784 4.470 0.001 0.000 0.166 395 S C -0.327 174.238 174.600 -0.058 0.000 1.445 395 S CA -0.559 57.639 58.200 -0.004 0.000 1.260 395 S CB 1.030 64.257 63.200 0.045 0.000 1.401 395 S HN 0.185 nan 8.310 nan 0.000 0.379 396 R N 1.477 121.914 120.500 -0.105 0.000 2.664 396 R HA 0.869 5.210 4.340 0.001 0.000 0.286 396 R C -0.602 175.441 176.300 -0.427 0.000 0.967 396 R CA -0.500 55.449 56.100 -0.252 0.000 0.933 396 R CB 1.951 32.152 30.300 -0.165 0.000 1.146 396 R HN 0.437 nan 8.270 nan 0.000 0.468 397 A N 2.309 124.696 122.820 -0.722 0.000 2.515 397 A HA 0.796 5.116 4.320 0.001 0.000 0.298 397 A C -1.567 175.419 177.584 -0.997 0.000 1.059 397 A CA -0.633 51.015 52.037 -0.647 0.000 0.698 397 A CB 1.235 20.075 19.000 -0.266 0.000 1.289 397 A HN 0.509 nan 8.150 nan 0.000 0.404 398 F N 0.662 120.648 119.950 0.060 0.000 2.561 398 F HA 0.566 5.094 4.527 0.001 0.000 0.313 398 F C -0.248 175.597 175.800 0.075 0.000 1.126 398 F CA -0.865 57.173 58.000 0.063 0.000 0.918 398 F CB 2.369 41.407 39.000 0.064 0.000 1.199 398 F HN 0.286 nan 8.300 nan 0.000 0.444 399 V N 3.822 123.870 119.914 0.224 0.000 2.384 399 V HA 0.530 4.651 4.120 0.001 0.000 0.287 399 V C -0.592 175.590 176.094 0.147 0.000 1.020 399 V CA -0.837 61.561 62.300 0.164 0.000 0.850 399 V CB 1.757 33.648 31.823 0.113 0.000 0.987 399 V HN 0.529 nan 8.190 nan 0.000 0.436 400 V N 3.884 123.877 119.914 0.132 0.000 2.313 400 V HA 0.349 4.469 4.120 0.001 0.000 0.278 400 V C 0.065 176.202 176.094 0.072 0.000 1.017 400 V CA -0.655 61.703 62.300 0.097 0.000 0.823 400 V CB 1.326 33.202 31.823 0.088 0.000 1.010 400 V HN 0.959 nan 8.190 nan 0.000 0.443 401 E N 4.682 124.914 120.200 0.053 0.000 2.070 401 E HA 0.368 4.719 4.350 0.001 0.000 0.282 401 E C -0.696 175.921 176.600 0.029 0.000 1.104 401 E CA -0.014 56.404 56.400 0.031 0.000 0.876 401 E CB 0.991 30.702 29.700 0.019 0.000 1.055 401 E HN 0.470 nan 8.360 nan 0.000 0.401 402 V N 5.868 125.796 119.914 0.023 0.000 2.617 402 V HA 0.316 4.436 4.120 0.001 0.000 0.298 402 V C 0.640 176.743 176.094 0.015 0.000 1.048 402 V CA -0.608 61.703 62.300 0.018 0.000 0.964 402 V CB 1.556 33.384 31.823 0.008 0.000 1.004 402 V HN 0.823 nan 8.190 nan 0.000 0.466 403 M N 2.310 121.922 119.600 0.019 0.000 2.267 403 M HA 0.638 5.119 4.480 0.001 0.000 0.303 403 M C 0.502 176.819 176.300 0.028 0.000 1.164 403 M CA 0.306 55.618 55.300 0.020 0.000 1.060 403 M CB 1.509 34.123 32.600 0.024 0.000 1.455 403 M HN 0.898 nan 8.290 nan 0.000 0.483 404 G N -0.040 108.776 108.800 0.026 0.000 2.673 404 G HA2 0.093 4.054 3.960 0.001 0.000 0.566 404 G HA3 0.093 4.054 3.960 0.001 0.000 0.566 404 G C -0.021 174.879 174.900 0.000 0.000 1.170 404 G CA -0.145 44.980 45.100 0.041 0.000 1.242 404 G HN 0.928 nan 8.290 nan 0.000 0.568 405 R N 0.637 121.110 120.500 -0.046 0.000 2.075 405 R HA 0.004 4.344 4.340 0.001 0.000 0.232 405 R C 1.779 177.852 176.300 -0.379 0.000 1.126 405 R CA 2.238 58.204 56.100 -0.224 0.000 0.963 405 R CB -0.775 29.343 30.300 -0.303 0.000 0.858 405 R HN 0.799 nan 8.270 nan 0.000 0.435 406 H N -2.817 116.272 119.070 0.031 0.000 2.705 406 H HA 0.290 4.846 4.556 0.001 0.000 0.269 406 H C -0.182 175.164 175.328 0.029 0.000 0.998 406 H CA 0.123 56.186 56.048 0.026 0.000 1.193 406 H CB 0.261 30.032 29.762 0.015 0.000 1.485 406 H HN 0.468 nan 8.280 nan 0.000 0.521 407 C N 0.419 119.798 119.300 0.132 0.000 2.686 407 C HA 0.539 5.000 4.460 0.001 0.000 0.318 407 C C 1.656 176.767 174.990 0.201 0.000 1.160 407 C CA -0.404 58.704 59.018 0.151 0.000 1.396 407 C CB 0.799 28.633 27.740 0.158 0.000 1.924 407 C HN 0.522 nan 8.230 nan 0.000 0.471 408 G N 1.991 110.951 108.800 0.267 0.000 3.026 408 G HA2 -0.034 3.926 3.960 0.001 0.000 0.208 408 G HA3 -0.034 3.926 3.960 0.001 0.000 0.208 408 G C 0.914 175.939 174.900 0.209 0.000 1.169 408 G CA 0.298 45.532 45.100 0.224 0.000 0.788 408 G HN 0.954 nan 8.290 nan 0.000 0.533 409 W N 0.856 122.270 121.300 0.191 0.000 2.335 409 W HA -0.106 4.555 4.660 0.001 0.000 0.311 409 W C 2.105 178.541 176.519 -0.139 0.000 1.213 409 W CA 1.315 58.651 57.345 -0.015 0.000 1.274 409 W CB -0.132 29.387 29.460 0.099 0.000 1.148 409 W HN 0.155 nan 8.180 nan 0.000 0.498 410 L N 0.185 121.486 121.223 0.131 0.000 2.046 410 L HA -0.130 4.211 4.340 0.001 0.000 0.208 410 L C 2.742 179.480 176.870 -0.220 0.000 1.077 410 L CA 1.568 56.358 54.840 -0.082 0.000 0.747 410 L CB -1.562 40.547 42.059 0.084 0.000 0.896 410 L HN 0.228 nan 8.230 nan 0.000 0.432 411 G N -0.134 108.575 108.800 -0.152 0.000 2.446 411 G HA2 -0.264 3.696 3.960 0.001 0.000 0.217 411 G HA3 -0.264 3.696 3.960 0.001 0.000 0.217 411 G C 1.628 176.318 174.900 -0.350 0.000 1.168 411 G CA 0.699 45.686 45.100 -0.187 0.000 0.771 411 G HN 0.223 nan 8.290 nan 0.000 0.551 412 L N -0.101 120.852 121.223 -0.451 0.000 1.970 412 L HA -0.108 4.233 4.340 0.001 0.000 0.212 412 L C 3.097 179.612 176.870 -0.592 0.000 1.071 412 L CA 1.447 55.920 54.840 -0.611 0.000 0.751 412 L CB -0.210 41.432 42.059 -0.695 0.000 0.889 412 L HN 0.178 nan 8.230 nan 0.000 0.432 413 M N -0.983 118.207 119.600 -0.682 0.000 2.149 413 M HA -0.180 4.300 4.480 0.001 0.000 0.261 413 M C 2.401 178.466 176.300 -0.392 0.000 1.064 413 M CA 1.510 56.425 55.300 -0.642 0.000 1.102 413 M CB -1.321 30.620 32.600 -1.097 0.000 1.369 413 M HN 0.224 nan 8.290 nan 0.000 0.408 414 S N 0.680 116.174 115.700 -0.342 0.000 2.382 414 S HA -0.058 4.413 4.470 0.001 0.000 0.228 414 S C 2.092 176.602 174.600 -0.150 0.000 1.027 414 S CA 1.305 59.389 58.200 -0.193 0.000 0.991 414 S CB -0.795 62.317 63.200 -0.148 0.000 0.823 414 S HN 0.670 nan 8.310 nan 0.000 0.469 415 G N 1.985 110.635 108.800 -0.249 0.000 2.459 415 G HA2 -0.184 3.777 3.960 0.001 0.000 0.217 415 G HA3 -0.184 3.777 3.960 0.001 0.000 0.217 415 G C 1.323 176.268 174.900 0.075 0.000 1.183 415 G CA 0.952 45.941 45.100 -0.186 0.000 0.776 415 G HN 0.475 nan 8.290 nan 0.000 0.552 416 I N 1.533 122.109 120.570 0.009 0.000 2.090 416 I HA -0.181 3.989 4.170 0.001 0.000 0.236 416 I C 3.338 179.463 176.117 0.013 0.000 1.064 416 I CA 1.231 62.568 61.300 0.062 0.000 1.324 416 I CB -0.492 37.501 38.000 -0.013 0.000 1.044 416 I HN 0.229 nan 8.210 nan 0.000 0.399 417 A N 0.356 123.159 122.820 -0.027 0.000 1.997 417 A HA -0.281 4.039 4.320 0.001 0.000 0.221 417 A C 2.285 179.922 177.584 0.088 0.000 1.172 417 A CA 2.777 54.822 52.037 0.015 0.000 0.645 417 A CB -1.182 17.803 19.000 -0.024 0.000 0.813 417 A HN 0.614 nan 8.150 nan 0.000 0.454 418 T N -5.283 109.296 114.554 0.042 0.000 3.023 418 T HA 0.423 4.773 4.350 0.001 0.000 0.253 418 T C 1.187 175.738 174.700 -0.247 0.000 1.038 418 T CA 1.053 63.182 62.100 0.047 0.000 0.962 418 T CB 0.021 68.924 68.868 0.059 0.000 1.018 418 T HN 1.836 nan 8.240 nan 0.000 0.521 419 G N 1.827 110.506 108.800 -0.202 0.000 2.314 419 G HA2 0.026 3.987 3.960 0.001 0.000 0.292 419 G HA3 0.026 3.987 3.960 0.001 0.000 0.292 419 G C 0.270 175.076 174.900 -0.157 0.000 1.059 419 G CA -0.072 44.869 45.100 -0.265 0.000 0.982 419 G HN 1.198 nan 8.290 nan 0.000 0.505 420 A N -0.625 122.212 122.820 0.029 0.000 2.483 420 A HA 0.534 4.855 4.320 0.001 0.000 0.238 420 A C 1.225 178.871 177.584 0.103 0.000 1.070 420 A CA 0.957 53.060 52.037 0.110 0.000 0.770 420 A CB 0.350 19.460 19.000 0.183 0.000 1.008 420 A HN 0.360 nan 8.150 nan 0.000 0.497 421 D N -0.787 119.683 120.400 0.115 0.000 2.103 421 D HA 0.064 4.705 4.640 0.001 0.000 0.199 421 D C -0.045 176.425 176.300 0.283 0.000 0.978 421 D CA 2.008 56.098 54.000 0.151 0.000 0.829 421 D CB -0.009 40.938 40.800 0.245 0.000 0.981 421 D HN 0.575 nan 8.370 nan 0.000 0.464 422 Y N -0.755 119.648 120.300 0.173 0.000 2.553 422 Y HA 0.461 5.011 4.550 0.001 0.000 0.347 422 Y C -1.359 174.584 175.900 0.072 0.000 1.019 422 Y CA -1.373 56.801 58.100 0.124 0.000 1.032 422 Y CB 1.438 39.907 38.460 0.015 0.000 1.284 422 Y HN -0.165 nan 8.280 nan 0.000 0.466 423 I N 0.079 120.555 120.570 -0.157 0.000 2.828 423 I HA 0.629 4.799 4.170 0.001 0.000 0.302 423 I C -2.072 173.804 176.117 -0.401 0.000 1.101 423 I CA -0.894 60.281 61.300 -0.207 0.000 1.031 423 I CB 2.533 40.282 38.000 -0.419 0.000 1.231 423 I HN 0.400 nan 8.210 nan 0.000 0.427 424 F N 5.757 125.687 119.950 -0.032 0.000 2.403 424 F HA 0.649 5.177 4.527 0.001 0.000 0.355 424 F C -0.114 175.619 175.800 -0.112 0.000 1.119 424 F CA -0.638 57.325 58.000 -0.061 0.000 1.007 424 F CB 1.773 40.727 39.000 -0.076 0.000 1.194 424 F HN 0.444 nan 8.300 nan 0.000 0.443 425 I N 1.461 122.023 120.570 -0.013 0.000 2.545 425 I HA 0.567 4.737 4.170 0.001 0.000 0.292 425 I C -2.487 173.595 176.117 -0.059 0.000 1.040 425 I CA -2.631 58.644 61.300 -0.043 0.000 1.068 425 I CB 2.520 40.467 38.000 -0.090 0.000 1.251 425 I HN 0.151 nan 8.210 nan 0.000 0.424 426 P HA -0.133 nan 4.420 nan 0.000 0.220 426 P C 0.967 178.234 177.300 -0.055 0.000 1.148 426 P CA 1.226 64.296 63.100 -0.050 0.000 0.803 426 P CB 0.091 31.794 31.700 0.005 0.000 0.782 427 E N -0.035 120.144 120.200 -0.034 0.000 2.106 427 E HA -0.119 4.232 4.350 0.001 0.000 0.192 427 E C 1.053 177.622 176.600 -0.052 0.000 0.984 427 E CA 0.996 57.380 56.400 -0.026 0.000 0.806 427 E CB -0.375 29.273 29.700 -0.087 0.000 0.750 427 E HN 0.281 nan 8.360 nan 0.000 0.458 428 R N 1.644 122.056 120.500 -0.146 0.000 2.564 428 R HA 0.247 4.587 4.340 0.001 0.000 0.282 428 R C -2.485 173.717 176.300 -0.164 0.000 1.573 428 R CA -1.523 54.508 56.100 -0.114 0.000 1.588 428 R CB 1.326 31.618 30.300 -0.012 0.000 1.154 428 R HN 0.079 nan 8.270 nan 0.000 0.606 429 P HA 0.245 nan 4.420 nan 0.000 0.277 429 P C -2.623 174.589 177.300 -0.147 0.000 1.240 429 P CA -1.371 61.548 63.100 -0.303 0.000 0.798 429 P CB 0.765 32.120 31.700 -0.575 0.000 0.979 430 P HA 0.112 nan 4.420 nan 0.000 0.279 430 P C -0.148 177.237 177.300 0.141 0.000 1.276 430 P CA -0.446 62.725 63.100 0.119 0.000 0.801 430 P CB 0.197 32.067 31.700 0.284 0.000 1.127 431 S N -0.836 114.985 115.700 0.201 0.000 2.568 431 S HA 0.005 4.476 4.470 0.001 0.000 0.282 431 S C 1.219 175.998 174.600 0.299 0.000 1.338 431 S CA 0.058 58.377 58.200 0.199 0.000 1.045 431 S CB 0.073 63.372 63.200 0.164 0.000 0.873 431 S HN 0.588 nan 8.310 nan 0.000 0.516 432 E N 2.370 122.717 120.200 0.245 0.000 2.150 432 E HA -0.157 4.193 4.350 0.001 0.000 0.193 432 E C 1.875 178.607 176.600 0.221 0.000 0.985 432 E CA 1.261 57.841 56.400 0.299 0.000 0.814 432 E CB -0.536 29.281 29.700 0.196 0.000 0.752 432 E HN 0.803 nan 8.360 nan 0.000 0.466 433 S N 1.297 117.081 115.700 0.140 0.000 2.356 433 S HA -0.125 4.346 4.470 0.001 0.000 0.223 433 S C 1.383 175.997 174.600 0.023 0.000 1.032 433 S CA 1.155 59.395 58.200 0.067 0.000 1.005 433 S CB -0.291 62.946 63.200 0.061 0.000 0.867 433 S HN 0.279 nan 8.310 nan 0.000 0.449 434 N N 0.286 119.025 118.700 0.065 0.000 2.451 434 N HA 0.166 4.906 4.740 0.001 0.000 0.271 434 N C 0.705 176.263 175.510 0.080 0.000 1.410 434 N CA 0.064 53.124 53.050 0.018 0.000 0.884 434 N CB 0.363 38.864 38.487 0.023 0.000 1.332 434 N HN 0.754 nan 8.380 nan 0.000 0.498 435 W N 1.515 122.853 121.300 0.063 0.000 2.388 435 W HA 0.035 4.696 4.660 0.001 0.000 0.294 435 W C 0.905 177.438 176.519 0.022 0.000 1.212 435 W CA 0.439 57.840 57.345 0.092 0.000 1.271 435 W CB -0.422 29.147 29.460 0.181 0.000 1.126 435 W HN -0.071 nan 8.180 nan 0.000 0.535 436 K N 0.797 120.834 120.400 -0.605 0.000 2.057 436 K HA -0.142 4.178 4.320 0.001 0.000 0.206 436 K C 1.621 178.059 176.600 -0.271 0.000 1.050 436 K CA 1.923 57.817 56.287 -0.655 0.000 0.935 436 K CB -0.388 31.595 32.500 -0.861 0.000 0.715 436 K HN 0.069 nan 8.250 nan 0.000 0.439 437 D N 0.922 121.207 120.400 -0.191 0.000 2.183 437 D HA -0.135 4.505 4.640 0.001 0.000 0.203 437 D C 1.542 177.812 176.300 -0.050 0.000 0.969 437 D CA 1.127 55.064 54.000 -0.106 0.000 0.842 437 D CB -0.024 40.726 40.800 -0.084 0.000 0.957 437 D HN 0.212 nan 8.370 nan 0.000 0.484 438 D N 0.681 121.082 120.400 0.003 0.000 2.162 438 D HA -0.054 4.586 4.640 0.001 0.000 0.203 438 D C 2.242 178.556 176.300 0.024 0.000 0.967 438 D CA 0.211 54.250 54.000 0.064 0.000 0.840 438 D CB -0.060 40.844 40.800 0.174 0.000 0.972 438 D HN 0.074 nan 8.370 nan 0.000 0.482 439 L N 0.265 121.417 121.223 -0.120 0.000 1.989 439 L HA -0.206 4.134 4.340 0.001 0.000 0.211 439 L C 2.287 179.083 176.870 -0.123 0.000 1.071 439 L CA 1.458 56.106 54.840 -0.319 0.000 0.749 439 L CB -0.214 41.693 42.059 -0.252 0.000 0.890 439 L HN 0.045 nan 8.230 nan 0.000 0.431 440 K N 0.034 120.377 120.400 -0.095 0.000 2.020 440 K HA -0.258 4.062 4.320 0.001 0.000 0.212 440 K C 2.393 178.953 176.600 -0.065 0.000 1.050 440 K CA 2.259 58.501 56.287 -0.075 0.000 0.929 440 K CB -0.427 32.024 32.500 -0.082 0.000 0.714 440 K HN 0.323 nan 8.250 nan 0.000 0.443 441 K N 1.293 121.658 120.400 -0.058 0.000 1.987 441 K HA -0.170 4.151 4.320 0.001 0.000 0.216 441 K C 2.238 178.776 176.600 -0.103 0.000 1.051 441 K CA 2.236 58.484 56.287 -0.065 0.000 0.942 441 K CB -1.553 30.922 32.500 -0.041 0.000 0.722 441 K HN 0.048 nan 8.250 nan 0.000 0.444 442 V N 0.895 120.763 119.914 -0.077 0.000 2.250 442 V HA -0.391 3.730 4.120 0.001 0.000 0.250 442 V C 2.773 178.717 176.094 -0.250 0.000 1.060 442 V CA 2.275 64.486 62.300 -0.147 0.000 1.030 442 V CB -0.973 30.912 31.823 0.103 0.000 0.643 442 V HN 0.762 nan 8.190 nan 0.000 0.445 443 C N -0.522 118.745 119.300 -0.055 0.000 2.436 443 C HA -0.118 4.343 4.460 0.001 0.000 0.277 443 C C 2.652 177.616 174.990 -0.044 0.000 1.241 443 C CA 1.007 60.032 59.018 0.011 0.000 1.721 443 C CB -1.179 26.576 27.740 0.024 0.000 2.043 443 C HN 0.539 nan 8.230 nan 0.000 0.472 444 L N 0.418 121.595 121.223 -0.077 0.000 2.191 444 L HA -0.137 4.203 4.340 0.001 0.000 0.212 444 L C 2.822 179.625 176.870 -0.112 0.000 1.103 444 L CA 1.284 56.077 54.840 -0.078 0.000 0.769 444 L CB -0.612 41.405 42.059 -0.070 0.000 0.908 444 L HN 0.366 nan 8.230 nan 0.000 0.438 445 R N -0.885 119.500 120.500 -0.192 0.000 2.073 445 R HA -0.178 4.163 4.340 0.001 0.000 0.234 445 R C 2.428 178.591 176.300 -0.228 0.000 1.134 445 R CA 1.476 57.427 56.100 -0.249 0.000 0.952 445 R CB -0.171 29.916 30.300 -0.355 0.000 0.850 445 R HN 0.402 nan 8.270 nan 0.000 0.433 446 H N 0.141 119.144 119.070 -0.111 0.000 2.357 446 H HA -0.011 4.545 4.556 0.001 0.000 0.301 446 H C 2.181 177.444 175.328 -0.108 0.000 1.082 446 H CA 1.223 57.197 56.048 -0.124 0.000 1.342 446 H CB -0.193 29.515 29.762 -0.090 0.000 1.389 446 H HN 0.221 nan 8.280 nan 0.000 0.511 447 R N 0.594 121.109 120.500 0.024 0.000 2.105 447 R HA -0.158 4.182 4.340 0.001 0.000 0.239 447 R C 2.279 178.550 176.300 -0.050 0.000 1.135 447 R CA 1.397 57.482 56.100 -0.024 0.000 0.967 447 R CB -0.071 30.206 30.300 -0.038 0.000 0.861 447 R HN 0.317 nan 8.270 nan 0.000 0.442 448 E N 1.247 121.408 120.200 -0.065 0.000 2.077 448 E HA -0.192 4.159 4.350 0.001 0.000 0.193 448 E C 1.516 178.063 176.600 -0.088 0.000 0.989 448 E CA 1.547 57.903 56.400 -0.074 0.000 0.800 448 E CB -0.000 29.644 29.700 -0.092 0.000 0.746 448 E HN -0.075 nan 8.360 nan 0.000 0.452 449 K N -1.427 118.899 120.400 -0.124 0.000 2.555 449 K HA 0.116 4.437 4.320 0.001 0.000 0.193 449 K C 0.816 177.369 176.600 -0.079 0.000 1.032 449 K CA 0.837 57.018 56.287 -0.176 0.000 1.004 449 K CB 0.158 32.443 32.500 -0.358 0.000 0.804 449 K HN 0.346 nan 8.250 nan 0.000 0.496 450 G N -0.190 108.584 108.800 -0.044 0.000 2.336 450 G HA2 -0.238 3.723 3.960 0.001 0.000 0.194 450 G HA3 -0.238 3.723 3.960 0.001 0.000 0.194 450 G C -0.128 174.762 174.900 -0.017 0.000 0.999 450 G CA -0.176 44.914 45.100 -0.017 0.000 0.669 450 G HN 0.278 nan 8.290 nan 0.000 0.482 451 R N 0.911 121.403 120.500 -0.013 0.000 2.484 451 R HA 0.373 4.714 4.340 0.001 0.000 0.293 451 R C 1.138 177.426 176.300 -0.020 0.000 1.023 451 R CA 0.097 56.194 56.100 -0.004 0.000 1.037 451 R CB 0.241 30.546 30.300 0.009 0.000 0.951 451 R HN 0.134 nan 8.270 nan 0.000 0.418 452 R N 3.106 123.602 120.500 -0.006 0.000 2.446 452 R HA 0.085 4.426 4.340 0.001 0.000 0.254 452 R C -0.098 176.230 176.300 0.046 0.000 0.918 452 R CA 0.251 56.336 56.100 -0.026 0.000 1.069 452 R CB 0.676 30.950 30.300 -0.044 0.000 1.194 452 R HN 0.502 nan 8.270 nan 0.000 0.534 453 K N 1.498 121.956 120.400 0.097 0.000 2.847 453 K HA 0.222 4.543 4.320 0.001 0.000 0.213 453 K C -0.640 176.070 176.600 0.184 0.000 1.174 453 K CA -0.089 56.325 56.287 0.211 0.000 1.095 453 K CB 1.175 33.803 32.500 0.212 0.000 1.581 453 K HN -0.189 nan 8.250 nan 0.000 0.514 454 T N 1.980 116.594 114.554 0.101 0.000 2.793 454 T HA 0.023 4.374 4.350 0.001 0.000 0.289 454 T C 0.188 174.974 174.700 0.144 0.000 0.956 454 T CA 0.461 62.609 62.100 0.080 0.000 1.177 454 T CB 0.265 69.144 68.868 0.018 0.000 0.897 454 T HN 0.198 nan 8.240 nan 0.000 0.533 455 T N 3.569 118.223 114.554 0.167 0.000 2.812 455 T HA 0.543 4.894 4.350 0.001 0.000 0.282 455 T C -0.273 174.541 174.700 0.191 0.000 0.990 455 T CA -0.646 61.578 62.100 0.206 0.000 0.960 455 T CB 1.415 70.398 68.868 0.192 0.000 0.948 455 T HN 0.314 nan 8.240 nan 0.000 0.438 456 V N 3.997 124.036 119.914 0.209 0.000 2.555 456 V HA 0.577 4.697 4.120 0.001 0.000 0.302 456 V C -0.480 175.750 176.094 0.226 0.000 1.038 456 V CA -0.884 61.569 62.300 0.253 0.000 0.887 456 V CB 1.899 33.902 31.823 0.299 0.000 0.991 456 V HN 0.813 nan 8.190 nan 0.000 0.434 457 I N 4.074 124.778 120.570 0.224 0.000 2.382 457 I HA 0.450 4.621 4.170 0.001 0.000 0.286 457 I C -0.649 175.604 176.117 0.226 0.000 1.002 457 I CA -0.519 60.873 61.300 0.154 0.000 1.135 457 I CB 1.957 39.983 38.000 0.045 0.000 1.288 457 I HN 0.305 nan 8.210 nan 0.000 0.448 458 V N 6.365 126.380 119.914 0.168 0.000 2.347 458 V HA 0.597 4.718 4.120 0.001 0.000 0.280 458 V C 0.596 176.718 176.094 0.046 0.000 1.021 458 V CA -0.695 61.679 62.300 0.124 0.000 0.847 458 V CB 1.233 33.040 31.823 -0.026 0.000 0.990 458 V HN 0.807 nan 8.190 nan 0.000 0.444 459 A N 3.101 125.947 122.820 0.045 0.000 2.366 459 A HA 0.329 4.650 4.320 0.001 0.000 0.249 459 A C 1.325 178.897 177.584 -0.019 0.000 1.084 459 A CA 0.091 52.134 52.037 0.010 0.000 0.794 459 A CB 0.243 19.250 19.000 0.011 0.000 1.034 459 A HN 0.990 nan 8.150 nan 0.000 0.491 460 E N 1.080 121.268 120.200 -0.019 0.000 2.085 460 E HA -0.163 4.188 4.350 0.001 0.000 0.194 460 E C 1.483 178.048 176.600 -0.059 0.000 0.994 460 E CA 1.516 57.895 56.400 -0.035 0.000 0.801 460 E CB -0.260 29.424 29.700 -0.028 0.000 0.743 460 E HN 0.785 nan 8.360 nan 0.000 0.453 461 G N -0.087 108.675 108.800 -0.063 0.000 3.314 461 G HA2 0.334 4.294 3.960 0.001 0.000 0.238 461 G HA3 0.334 4.294 3.960 0.001 0.000 0.238 461 G C 0.138 175.000 174.900 -0.065 0.000 1.184 461 G CA 0.169 45.223 45.100 -0.076 0.000 0.806 461 G HN 0.382 nan 8.290 nan 0.000 0.536 462 A N 0.731 123.509 122.820 -0.069 0.000 2.567 462 A HA 0.485 4.805 4.320 0.001 0.000 0.240 462 A C 0.309 177.810 177.584 -0.139 0.000 1.053 462 A CA 0.362 52.348 52.037 -0.084 0.000 0.755 462 A CB -0.325 18.603 19.000 -0.120 0.000 0.978 462 A HN 0.870 nan 8.150 nan 0.000 0.507 463 I N -1.026 119.463 120.570 -0.135 0.000 3.279 463 I HA 0.737 4.908 4.170 0.001 0.000 0.315 463 I C -0.980 175.022 176.117 -0.192 0.000 1.187 463 I CA -1.346 59.863 61.300 -0.152 0.000 0.953 463 I CB 2.360 40.306 38.000 -0.089 0.000 1.279 463 I HN 0.564 nan 8.210 nan 0.000 0.465 464 D N 0.045 120.349 120.400 -0.160 0.000 2.326 464 D HA 0.220 4.860 4.640 0.001 0.000 0.251 464 D C 0.334 176.572 176.300 -0.102 0.000 1.023 464 D CA -0.498 53.431 54.000 -0.119 0.000 0.966 464 D CB 0.884 41.680 40.800 -0.006 0.000 1.156 464 D HN 0.712 nan 8.370 nan 0.000 0.494 465 D N -0.568 119.788 120.400 -0.072 0.000 2.354 465 D HA -0.231 4.409 4.640 0.001 0.000 0.216 465 D C 0.961 177.423 176.300 0.271 0.000 0.970 465 D CA 0.928 54.948 54.000 0.032 0.000 0.905 465 D CB -0.158 40.720 40.800 0.130 0.000 0.903 465 D HN 0.308 nan 8.370 nan 0.000 0.508 466 Q N -0.710 119.192 119.800 0.171 0.000 2.204 466 Q HA 0.299 4.639 4.340 0.001 0.000 0.209 466 Q C 0.761 176.847 176.000 0.144 0.000 0.861 466 Q CA -0.349 55.552 55.803 0.163 0.000 0.971 466 Q CB -0.012 28.800 28.738 0.124 0.000 1.095 466 Q HN 0.125 nan 8.270 nan 0.000 0.486 467 L N -0.576 120.747 121.223 0.166 0.000 5.051 467 L HA -0.283 4.057 4.340 0.001 0.000 0.432 467 L C -0.773 176.133 176.870 0.059 0.000 1.055 467 L CA 0.804 55.723 54.840 0.130 0.000 1.095 467 L CB -1.655 40.487 42.059 0.139 0.000 1.957 467 L HN 0.442 nan 8.230 nan 0.000 0.727 468 N N 2.843 121.571 118.700 0.046 0.000 2.497 468 N HA 0.251 4.992 4.740 0.001 0.000 0.268 468 N C -2.030 173.466 175.510 -0.024 0.000 1.171 468 N CA -0.836 52.230 53.050 0.026 0.000 0.948 468 N CB 0.650 39.169 38.487 0.055 0.000 1.069 468 N HN 0.249 nan 8.380 nan 0.000 0.460 469 P HA 0.201 nan 4.420 nan 0.000 0.272 469 P C -0.236 176.980 177.300 -0.140 0.000 1.223 469 P CA 0.002 63.051 63.100 -0.086 0.000 0.784 469 P CB 0.950 32.614 31.700 -0.060 0.000 0.923 470 I N 1.936 122.352 120.570 -0.257 0.000 2.359 470 I HA 0.171 4.342 4.170 0.001 0.000 0.284 470 I C 1.106 177.016 176.117 -0.345 0.000 1.018 470 I CA -0.508 60.535 61.300 -0.428 0.000 1.173 470 I CB 1.232 38.676 38.000 -0.927 0.000 1.326 470 I HN 0.307 nan 8.210 nan 0.000 0.462 471 T N 0.863 115.299 114.554 -0.198 0.000 2.882 471 T HA 0.112 4.463 4.350 0.001 0.000 0.287 471 T C 1.332 175.942 174.700 -0.150 0.000 1.014 471 T CA -0.337 61.682 62.100 -0.135 0.000 1.049 471 T CB 1.528 70.360 68.868 -0.060 0.000 1.001 471 T HN 0.636 nan 8.240 nan 0.000 0.525 472 S N -0.080 115.560 115.700 -0.099 0.000 2.423 472 S HA -0.119 4.351 4.470 0.001 0.000 0.231 472 S C 1.748 176.338 174.600 -0.017 0.000 1.014 472 S CA 0.850 59.013 58.200 -0.062 0.000 0.965 472 S CB -0.578 62.610 63.200 -0.019 0.000 0.785 472 S HN 0.792 nan 8.310 nan 0.000 0.495 473 E N 1.739 121.933 120.200 -0.010 0.000 2.106 473 E HA -0.068 4.282 4.350 0.001 0.000 0.192 473 E C 1.963 178.578 176.600 0.026 0.000 0.984 473 E CA 1.405 57.811 56.400 0.009 0.000 0.806 473 E CB -0.372 29.332 29.700 0.007 0.000 0.750 473 E HN 0.740 nan 8.360 nan 0.000 0.458 474 E N -0.712 119.510 120.200 0.037 0.000 2.058 474 E HA -0.166 4.185 4.350 0.001 0.000 0.194 474 E C 2.071 178.775 176.600 0.173 0.000 0.997 474 E CA 1.554 58.022 56.400 0.114 0.000 0.801 474 E CB 0.001 29.809 29.700 0.180 0.000 0.746 474 E HN 0.118 nan 8.360 nan 0.000 0.450 475 V N 1.727 121.727 119.914 0.143 0.000 2.343 475 V HA -0.279 3.842 4.120 0.001 0.000 0.247 475 V C 2.391 178.548 176.094 0.104 0.000 1.051 475 V CA 1.708 64.111 62.300 0.172 0.000 1.036 475 V CB -0.558 31.290 31.823 0.041 0.000 0.654 475 V HN 0.237 nan 8.190 nan 0.000 0.451 476 K N 0.273 120.708 120.400 0.058 0.000 2.020 476 K HA -0.272 4.048 4.320 0.001 0.000 0.212 476 K C 1.884 178.493 176.600 0.015 0.000 1.050 476 K CA 2.292 58.599 56.287 0.032 0.000 0.929 476 K CB -0.480 32.035 32.500 0.025 0.000 0.714 476 K HN 0.474 nan 8.250 nan 0.000 0.443 477 D N 0.556 120.964 120.400 0.014 0.000 2.149 477 D HA -0.149 4.492 4.640 0.001 0.000 0.198 477 D C 2.052 178.333 176.300 -0.030 0.000 0.990 477 D CA 1.101 55.096 54.000 -0.008 0.000 0.839 477 D CB -0.325 40.470 40.800 -0.008 0.000 0.948 477 D HN 0.084 nan 8.370 nan 0.000 0.460 478 V N 1.183 121.078 119.914 -0.031 0.000 2.261 478 V HA -0.229 3.892 4.120 0.001 0.000 0.246 478 V C 2.683 178.746 176.094 -0.051 0.000 1.047 478 V CA 1.297 63.552 62.300 -0.075 0.000 1.015 478 V CB -0.651 31.115 31.823 -0.094 0.000 0.642 478 V HN 0.180 nan 8.190 nan 0.000 0.446 479 L N -0.416 120.795 121.223 -0.020 0.000 2.141 479 L HA -0.117 4.224 4.340 0.001 0.000 0.209 479 L C 2.457 179.303 176.870 -0.041 0.000 1.094 479 L CA 0.805 55.628 54.840 -0.028 0.000 0.763 479 L CB -0.714 41.334 42.059 -0.017 0.000 0.908 479 L HN 0.185 nan 8.230 nan 0.000 0.437 480 V N 0.877 120.770 119.914 -0.036 0.000 2.427 480 V HA -0.247 3.874 4.120 0.001 0.000 0.248 480 V C 2.412 178.483 176.094 -0.037 0.000 1.051 480 V CA 2.037 64.315 62.300 -0.036 0.000 1.048 480 V CB -0.565 31.242 31.823 -0.027 0.000 0.666 480 V HN 0.659 nan 8.190 nan 0.000 0.456 481 E N -0.350 119.824 120.200 -0.043 0.000 2.516 481 E HA -0.103 4.248 4.350 0.001 0.000 0.199 481 E C 1.486 178.059 176.600 -0.047 0.000 1.069 481 E CA 0.515 56.887 56.400 -0.046 0.000 0.876 481 E CB -0.019 29.647 29.700 -0.055 0.000 0.843 481 E HN 0.446 nan 8.360 nan 0.000 0.530 482 I N 1.012 121.555 120.570 -0.046 0.000 3.956 482 I HA 0.170 4.341 4.170 0.001 0.000 0.333 482 I C 1.280 177.377 176.117 -0.034 0.000 1.302 482 I CA 0.714 61.989 61.300 -0.043 0.000 1.122 482 I CB -0.157 37.815 38.000 -0.048 0.000 1.013 482 I HN 0.364 nan 8.210 nan 0.000 0.405 483 G N 1.637 110.417 108.800 -0.032 0.000 2.149 483 G HA2 -0.232 3.728 3.960 0.001 0.000 0.235 483 G HA3 -0.232 3.728 3.960 0.001 0.000 0.235 483 G C 0.095 174.979 174.900 -0.028 0.000 1.018 483 G CA -0.182 44.904 45.100 -0.023 0.000 0.728 483 G HN 0.304 nan 8.290 nan 0.000 0.508 484 L N 0.381 121.576 121.223 -0.045 0.000 2.307 484 L HA 0.470 4.811 4.340 0.001 0.000 0.284 484 L C -0.056 176.766 176.870 -0.081 0.000 1.023 484 L CA -1.038 53.760 54.840 -0.070 0.000 0.810 484 L CB 1.658 43.662 42.059 -0.093 0.000 1.231 484 L HN 0.106 nan 8.230 nan 0.000 0.423 485 D N 2.263 122.608 120.400 -0.091 0.000 2.383 485 D HA 0.096 4.737 4.640 0.001 0.000 0.245 485 D C -0.408 175.801 176.300 -0.152 0.000 1.263 485 D CA 0.056 54.006 54.000 -0.083 0.000 0.936 485 D CB 0.600 41.372 40.800 -0.047 0.000 1.053 485 D HN 0.384 nan 8.370 nan 0.000 0.507 486 T N 4.561 119.048 114.554 -0.111 0.000 2.845 486 T HA 0.439 4.790 4.350 0.001 0.000 0.288 486 T C 0.309 174.991 174.700 -0.029 0.000 0.980 486 T CA -0.760 61.271 62.100 -0.116 0.000 1.071 486 T CB 1.270 70.099 68.868 -0.066 0.000 0.941 486 T HN 0.142 nan 8.240 nan 0.000 0.487 487 R N 2.336 122.854 120.500 0.031 0.000 2.435 487 R HA 0.401 4.742 4.340 0.001 0.000 0.308 487 R C -0.816 175.586 176.300 0.170 0.000 0.975 487 R CA -0.707 55.481 56.100 0.147 0.000 0.867 487 R CB 1.146 31.622 30.300 0.293 0.000 1.171 487 R HN 0.581 nan 8.270 nan 0.000 0.470 488 I N 1.702 122.338 120.570 0.109 0.000 2.575 488 I HA 0.143 4.314 4.170 0.001 0.000 0.285 488 I C 0.648 176.823 176.117 0.097 0.000 1.085 488 I CA 0.628 61.985 61.300 0.096 0.000 1.403 488 I CB 0.984 39.019 38.000 0.060 0.000 1.409 488 I HN 0.307 nan 8.210 nan 0.000 0.557 489 T N 6.003 120.613 114.554 0.093 0.000 2.930 489 T HA 0.400 4.750 4.350 0.001 0.000 0.313 489 T C -0.226 174.510 174.700 0.061 0.000 1.019 489 T CA -0.722 61.423 62.100 0.075 0.000 1.004 489 T CB 0.437 69.353 68.868 0.080 0.000 0.987 489 T HN 0.397 nan 8.240 nan 0.000 0.456 490 R N 3.141 123.670 120.500 0.049 0.000 2.207 490 R HA 0.349 4.690 4.340 0.001 0.000 0.334 490 R C 1.058 177.384 176.300 0.043 0.000 1.013 490 R CA -0.762 55.363 56.100 0.041 0.000 0.858 490 R CB 0.805 31.126 30.300 0.034 0.000 1.094 490 R HN 0.395 nan 8.270 nan 0.000 0.457 491 L N 2.182 123.431 121.223 0.043 0.000 2.046 491 L HA -0.090 4.251 4.340 0.001 0.000 0.208 491 L C 1.456 178.355 176.870 0.048 0.000 1.077 491 L CA 2.276 57.142 54.840 0.043 0.000 0.747 491 L CB -1.283 40.798 42.059 0.036 0.000 0.896 491 L HN 1.021 nan 8.230 nan 0.000 0.432 492 G N -0.720 108.110 108.800 0.049 0.000 2.582 492 G HA2 -0.453 3.507 3.960 0.001 0.000 0.288 492 G HA3 -0.453 3.507 3.960 0.001 0.000 0.288 492 G C 0.793 175.746 174.900 0.089 0.000 1.247 492 G CA 0.904 46.047 45.100 0.071 0.000 0.972 492 G HN 0.491 nan 8.290 nan 0.000 0.557 493 H N 0.120 119.202 119.070 0.021 0.000 2.543 493 H HA 0.130 4.686 4.556 0.001 0.000 0.286 493 H C 2.664 178.007 175.328 0.025 0.000 1.037 493 H CA 1.839 57.900 56.048 0.021 0.000 1.250 493 H CB -0.141 29.631 29.762 0.017 0.000 1.373 493 H HN 0.359 nan 8.280 nan 0.000 0.580 494 V N 0.197 120.133 119.914 0.036 0.000 2.380 494 V HA -0.318 3.803 4.120 0.001 0.000 0.251 494 V C 2.149 178.218 176.094 -0.042 0.000 1.063 494 V CA 2.156 64.461 62.300 0.009 0.000 1.055 494 V CB -0.444 31.403 31.823 0.040 0.000 0.657 494 V HN 0.570 nan 8.190 nan 0.000 0.455 495 Q N -0.892 118.878 119.800 -0.050 0.000 2.500 495 Q HA -0.085 4.256 4.340 0.001 0.000 0.213 495 Q C 2.090 178.033 176.000 -0.094 0.000 0.974 495 Q CA 0.789 56.566 55.803 -0.044 0.000 0.918 495 Q CB 0.062 28.791 28.738 -0.014 0.000 0.980 495 Q HN 0.634 nan 8.270 nan 0.000 0.505 496 R N -1.580 118.784 120.500 -0.226 0.000 2.373 496 R HA 0.195 4.536 4.340 0.001 0.000 0.221 496 R C 0.668 176.848 176.300 -0.199 0.000 0.893 496 R CA 0.216 56.162 56.100 -0.257 0.000 1.049 496 R CB 0.889 30.925 30.300 -0.439 0.000 1.119 496 R HN -0.028 nan 8.270 nan 0.000 0.535 497 G N 0.200 108.896 108.800 -0.174 0.000 2.491 497 G HA2 0.568 4.529 3.960 0.001 0.000 0.327 497 G HA3 0.568 4.529 3.960 0.001 0.000 0.327 497 G C -0.173 174.715 174.900 -0.020 0.000 1.189 497 G CA 0.049 45.109 45.100 -0.065 0.000 0.956 497 G HN 0.271 nan 8.290 nan 0.000 0.491 498 G N -1.562 107.238 108.800 0.000 0.000 2.603 498 G HA2 0.435 4.396 3.960 0.001 0.000 0.686 498 G HA3 0.435 4.396 3.960 0.001 0.000 0.686 498 G C 0.100 175.005 174.900 0.008 0.000 1.286 498 G CA -0.071 45.035 45.100 0.010 0.000 0.871 498 G HN 1.994 nan 8.290 nan 0.000 0.568 499 A N 1.678 124.505 122.820 0.012 0.000 2.462 499 A HA 0.695 5.015 4.320 0.001 0.000 0.243 499 A C -0.980 176.617 177.584 0.021 0.000 1.076 499 A CA -0.077 51.966 52.037 0.010 0.000 0.773 499 A CB -0.154 18.852 19.000 0.009 0.000 1.010 499 A HN 0.856 nan 8.150 nan 0.000 0.493 500 P HA 0.200 nan 4.420 nan 0.000 0.269 500 P C 0.402 177.739 177.300 0.061 0.000 1.215 500 P CA -0.315 62.808 63.100 0.037 0.000 0.780 500 P CB 0.150 31.859 31.700 0.016 0.000 0.898 501 C N 0.032 119.392 119.300 0.100 0.000 2.633 501 C HA 0.543 5.003 4.460 0.001 0.000 0.345 501 C C 2.260 177.327 174.990 0.128 0.000 1.384 501 C CA 0.162 59.251 59.018 0.118 0.000 2.418 501 C CB -0.762 27.077 27.740 0.165 0.000 2.425 501 C HN 0.718 nan 8.230 nan 0.000 0.705 502 A N 0.874 123.767 122.820 0.122 0.000 1.884 502 A HA -0.168 4.153 4.320 0.001 0.000 0.219 502 A C 1.942 179.686 177.584 0.265 0.000 1.197 502 A CA 2.251 54.371 52.037 0.140 0.000 0.637 502 A CB -1.177 17.844 19.000 0.035 0.000 0.827 502 A HN 1.152 nan 8.150 nan 0.000 0.450 503 F N 0.765 120.794 119.950 0.131 0.000 2.102 503 F HA -0.212 4.315 4.527 0.001 0.000 0.298 503 F C 1.996 177.959 175.800 0.272 0.000 1.105 503 F CA 2.118 60.243 58.000 0.209 0.000 1.239 503 F CB -0.119 38.878 39.000 -0.006 0.000 0.991 503 F HN 0.232 nan 8.300 nan 0.000 0.474 504 D N 0.263 120.685 120.400 0.037 0.000 2.123 504 D HA -0.168 4.472 4.640 0.001 0.000 0.196 504 D C 2.350 178.582 176.300 -0.114 0.000 0.992 504 D CA 1.262 55.214 54.000 -0.080 0.000 0.833 504 D CB -0.310 40.527 40.800 0.061 0.000 0.954 504 D HN 0.332 nan 8.370 nan 0.000 0.455 505 R N -0.293 120.199 120.500 -0.013 0.000 2.091 505 R HA -0.148 4.192 4.340 0.001 0.000 0.238 505 R C 2.328 178.592 176.300 -0.060 0.000 1.136 505 R CA 1.217 57.305 56.100 -0.020 0.000 0.959 505 R CB -0.510 29.816 30.300 0.043 0.000 0.856 505 R HN 0.245 nan 8.270 nan 0.000 0.437 506 F N 1.072 120.930 119.950 -0.154 0.000 2.084 506 F HA -0.170 4.358 4.527 0.001 0.000 0.296 506 F C 1.949 177.561 175.800 -0.313 0.000 1.111 506 F CA 1.213 59.065 58.000 -0.246 0.000 1.224 506 F CB -0.570 38.278 39.000 -0.254 0.000 0.991 506 F HN -0.066 nan 8.300 nan 0.000 0.471 507 L N 1.224 121.965 121.223 -0.803 0.000 2.042 507 L HA -0.091 4.250 4.340 0.001 0.000 0.210 507 L C 2.458 178.995 176.870 -0.555 0.000 1.076 507 L CA 2.229 56.545 54.840 -0.873 0.000 0.749 507 L CB -1.355 40.224 42.059 -0.800 0.000 0.893 507 L HN 0.285 nan 8.230 nan 0.000 0.432 508 A N -2.304 120.288 122.820 -0.379 0.000 1.929 508 A HA -0.134 4.187 4.320 0.001 0.000 0.216 508 A C 2.300 179.726 177.584 -0.263 0.000 1.176 508 A CA 1.930 53.810 52.037 -0.262 0.000 0.628 508 A CB -1.022 17.868 19.000 -0.183 0.000 0.816 508 A HN 0.464 nan 8.150 nan 0.000 0.444 509 T N -0.494 113.887 114.554 -0.289 0.000 2.737 509 T HA -0.096 4.254 4.350 0.001 0.000 0.265 509 T C 1.910 176.444 174.700 -0.277 0.000 1.038 509 T CA 1.652 63.602 62.100 -0.251 0.000 1.144 509 T CB -0.290 68.452 68.868 -0.210 0.000 0.866 509 T HN 0.123 nan 8.240 nan 0.000 0.434 510 V N 1.343 121.010 119.914 -0.411 0.000 2.307 510 V HA -0.170 3.951 4.120 0.001 0.000 0.245 510 V C 2.601 178.525 176.094 -0.283 0.000 1.045 510 V CA 1.670 63.734 62.300 -0.392 0.000 1.024 510 V CB -0.572 30.854 31.823 -0.663 0.000 0.651 510 V HN 0.500 nan 8.190 nan 0.000 0.449 511 Q N -0.216 119.402 119.800 -0.302 0.000 2.167 511 Q HA -0.123 4.218 4.340 0.001 0.000 0.202 511 Q C 2.339 178.248 176.000 -0.151 0.000 0.970 511 Q CA 1.502 57.185 55.803 -0.200 0.000 0.855 511 Q CB -0.471 28.152 28.738 -0.191 0.000 0.911 511 Q HN 0.737 nan 8.270 nan 0.000 0.438 512 G N 0.167 108.869 108.800 -0.163 0.000 2.418 512 G HA2 -0.214 3.746 3.960 0.001 0.000 0.217 512 G HA3 -0.214 3.746 3.960 0.001 0.000 0.217 512 G C 1.488 176.334 174.900 -0.091 0.000 1.158 512 G CA 0.775 45.800 45.100 -0.126 0.000 0.771 512 G HN 0.202 nan 8.290 nan 0.000 0.545 513 V N 1.015 120.873 119.914 -0.093 0.000 2.307 513 V HA -0.157 3.963 4.120 0.001 0.000 0.245 513 V C 2.454 178.534 176.094 -0.023 0.000 1.045 513 V CA 2.312 64.590 62.300 -0.037 0.000 1.024 513 V CB -0.434 31.360 31.823 -0.048 0.000 0.651 513 V HN 0.396 nan 8.190 nan 0.000 0.449 514 D N -0.126 120.237 120.400 -0.061 0.000 2.144 514 D HA -0.128 4.512 4.640 0.001 0.000 0.199 514 D C 2.124 178.388 176.300 -0.060 0.000 0.984 514 D CA 1.311 55.275 54.000 -0.059 0.000 0.834 514 D CB -0.129 40.630 40.800 -0.068 0.000 0.955 514 D HN 0.384 nan 8.370 nan 0.000 0.465 515 A N -0.235 122.547 122.820 -0.063 0.000 1.883 515 A HA -0.167 4.153 4.320 0.001 0.000 0.217 515 A C 2.458 180.013 177.584 -0.048 0.000 1.186 515 A CA 1.671 53.673 52.037 -0.059 0.000 0.624 515 A CB -0.912 18.049 19.000 -0.065 0.000 0.822 515 A HN 0.205 nan 8.150 nan 0.000 0.444 516 V N -0.171 119.726 119.914 -0.029 0.000 2.343 516 V HA -0.282 3.839 4.120 0.001 0.000 0.247 516 V C 2.652 178.709 176.094 -0.062 0.000 1.051 516 V CA 2.322 64.618 62.300 -0.007 0.000 1.036 516 V CB -0.838 31.028 31.823 0.073 0.000 0.654 516 V HN 0.533 nan 8.190 nan 0.000 0.451 517 R N 0.194 120.637 120.500 -0.095 0.000 2.073 517 R HA -0.130 4.211 4.340 0.001 0.000 0.234 517 R C 2.472 178.695 176.300 -0.128 0.000 1.134 517 R CA 1.548 57.543 56.100 -0.175 0.000 0.952 517 R CB -0.736 29.476 30.300 -0.146 0.000 0.850 517 R HN 0.518 nan 8.270 nan 0.000 0.433 518 A N 0.628 123.396 122.820 -0.087 0.000 1.986 518 A HA -0.152 4.168 4.320 0.001 0.000 0.220 518 A C 2.333 179.874 177.584 -0.072 0.000 1.171 518 A CA 1.570 53.564 52.037 -0.072 0.000 0.640 518 A CB -0.551 18.414 19.000 -0.059 0.000 0.811 518 A HN 0.143 nan 8.150 nan 0.000 0.451 519 V N -0.091 119.781 119.914 -0.071 0.000 2.270 519 V HA -0.246 3.874 4.120 0.001 0.000 0.245 519 V C 2.568 178.620 176.094 -0.070 0.000 1.043 519 V CA 2.040 64.302 62.300 -0.064 0.000 1.014 519 V CB -0.769 31.026 31.823 -0.047 0.000 0.645 519 V HN 0.594 nan 8.190 nan 0.000 0.447 520 L N -0.225 120.944 121.223 -0.090 0.000 2.017 520 L HA -0.172 4.169 4.340 0.001 0.000 0.208 520 L C 2.293 179.107 176.870 -0.094 0.000 1.073 520 L CA 1.688 56.468 54.840 -0.101 0.000 0.745 520 L CB -0.764 41.197 42.059 -0.164 0.000 0.894 520 L HN 0.329 nan 8.230 nan 0.000 0.432 521 E N -0.325 119.814 120.200 -0.101 0.000 2.515 521 E HA -0.051 4.300 4.350 0.001 0.000 0.201 521 E C 0.816 177.378 176.600 -0.063 0.000 1.071 521 E CA -0.098 56.253 56.400 -0.082 0.000 0.880 521 E CB 0.058 29.707 29.700 -0.083 0.000 0.828 521 E HN 0.247 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 0.303 4.773 4.470 0.001 0.000 0.269 522 S C -0.068 174.500 174.600 -0.052 0.000 1.292 522 S CA -0.312 57.853 58.200 -0.058 0.000 1.010 522 S CB 0.873 64.035 63.200 -0.064 0.000 0.944 522 S HN 0.214 nan 8.310 nan 0.000 0.536 523 T N 1.144 115.669 114.554 -0.048 0.000 2.840 523 T HA 0.463 4.813 4.350 0.001 0.000 0.317 523 T C -2.685 171.990 174.700 -0.042 0.000 1.401 523 T CA -1.169 60.906 62.100 -0.042 0.000 1.028 523 T CB 0.920 69.768 68.868 -0.034 0.000 1.317 523 T HN 0.277 nan 8.240 nan 0.000 0.495 524 P HA 0.053 nan 4.420 nan 0.000 0.221 524 P C 1.555 178.840 177.300 -0.025 0.000 1.145 524 P CA 1.159 64.239 63.100 -0.033 0.000 0.795 524 P CB -0.202 31.483 31.700 -0.025 0.000 0.775 525 A N -0.701 122.106 122.820 -0.022 0.000 1.930 525 A HA -0.071 4.250 4.320 0.001 0.000 0.217 525 A C 1.239 178.811 177.584 -0.019 0.000 1.175 525 A CA 0.572 52.599 52.037 -0.017 0.000 0.627 525 A CB -1.154 17.837 19.000 -0.015 0.000 0.815 525 A HN 0.203 nan 8.150 nan 0.000 0.443 526 I N 2.333 122.888 120.570 -0.025 0.000 2.379 526 I HA 0.248 4.419 4.170 0.001 0.000 0.290 526 I C -2.017 174.082 176.117 -0.029 0.000 1.063 526 I CA -2.615 58.670 61.300 -0.026 0.000 1.351 526 I CB 0.890 38.873 38.000 -0.029 0.000 1.410 526 I HN 0.113 nan 8.210 nan 0.000 0.505 527 P HA 0.056 nan 4.420 nan 0.000 0.269 527 P C -0.563 176.720 177.300 -0.029 0.000 1.209 527 P CA -0.250 62.836 63.100 -0.024 0.000 0.776 527 P CB 0.429 32.120 31.700 -0.015 0.000 0.876 528 S N 3.827 119.508 115.700 -0.032 0.000 2.555 528 S HA 0.153 4.623 4.470 0.001 0.000 0.293 528 S C -1.637 172.950 174.600 -0.023 0.000 1.248 528 S CA -0.307 57.873 58.200 -0.034 0.000 1.096 528 S CB -0.554 62.626 63.200 -0.034 0.000 0.881 528 S HN 0.449 nan 8.310 nan 0.000 0.498 529 P HA 0.516 nan 4.420 nan 0.000 0.289 529 P C -1.192 176.095 177.300 -0.020 0.000 1.300 529 P CA -0.768 62.318 63.100 -0.022 0.000 0.828 529 P CB 0.886 32.569 31.700 -0.028 0.000 1.235 530 V N 1.629 121.531 119.914 -0.020 0.000 2.407 530 V HA 0.213 4.334 4.120 0.001 0.000 0.291 530 V C 0.213 176.290 176.094 -0.028 0.000 1.018 530 V CA -0.766 61.521 62.300 -0.022 0.000 0.842 530 V CB 1.220 33.033 31.823 -0.017 0.000 0.996 530 V HN 0.332 nan 8.190 nan 0.000 0.426 531 I N 4.350 124.897 120.570 -0.039 0.000 2.494 531 I HA 0.267 4.437 4.170 0.001 0.000 0.289 531 I C 0.705 176.797 176.117 -0.041 0.000 1.106 531 I CA 0.914 62.186 61.300 -0.045 0.000 1.369 531 I CB -0.020 37.942 38.000 -0.063 0.000 1.410 531 I HN 0.556 nan 8.210 nan 0.000 0.523 532 S N 6.774 122.459 115.700 -0.025 0.000 2.715 532 S HA 0.719 5.190 4.470 0.001 0.000 0.307 532 S C -0.374 174.231 174.600 0.009 0.000 1.119 532 S CA -0.656 57.539 58.200 -0.009 0.000 0.937 532 S CB 2.869 66.069 63.200 -0.000 0.000 1.150 532 S HN 0.560 nan 8.310 nan 0.000 0.521 533 I N 1.356 121.950 120.570 0.041 0.000 2.465 533 I HA 0.485 4.656 4.170 0.001 0.000 0.291 533 I C -0.850 175.323 176.117 0.094 0.000 1.014 533 I CA -0.467 60.886 61.300 0.088 0.000 1.093 533 I CB 0.868 38.964 38.000 0.160 0.000 1.267 533 I HN 0.654 nan 8.210 nan 0.000 0.431 534 L N 4.721 126.000 121.223 0.094 0.000 3.635 534 L HA 0.404 4.745 4.340 0.001 0.000 0.185 534 L C 0.371 177.298 176.870 0.095 0.000 1.293 534 L CA -0.426 54.465 54.840 0.085 0.000 1.200 534 L CB -0.036 42.061 42.059 0.063 0.000 1.655 534 L HN 0.452 nan 8.230 nan 0.000 0.762 535 E N 1.779 122.031 120.200 0.087 0.000 2.341 535 E HA 0.100 4.450 4.350 0.001 0.000 0.279 535 E C -0.608 176.051 176.600 0.098 0.000 1.395 535 E CA -0.062 56.388 56.400 0.084 0.000 1.648 535 E CB -0.002 29.740 29.700 0.070 0.000 1.524 535 E HN 0.303 nan 8.360 nan 0.000 0.462 536 N N 1.052 119.830 118.700 0.130 0.000 2.878 536 N HA -0.159 4.582 4.740 0.001 0.000 0.247 536 N C -0.763 174.866 175.510 0.199 0.000 1.021 536 N CA 1.123 54.282 53.050 0.182 0.000 0.873 536 N CB -0.615 37.956 38.487 0.141 0.000 1.128 536 N HN 0.212 nan 8.380 nan 0.000 0.571 537 K N 0.607 121.095 120.400 0.148 0.000 2.244 537 K HA 0.448 4.769 4.320 0.001 0.000 0.260 537 K C 0.251 176.909 176.600 0.097 0.000 0.951 537 K CA -0.559 55.798 56.287 0.118 0.000 0.826 537 K CB 1.298 33.849 32.500 0.085 0.000 1.108 537 K HN -0.016 nan 8.250 nan 0.000 0.433 538 I N 3.908 124.522 120.570 0.073 0.000 2.533 538 I HA 0.114 4.285 4.170 0.001 0.000 0.284 538 I C -0.007 176.121 176.117 0.019 0.000 1.109 538 I CA -0.120 61.196 61.300 0.027 0.000 1.412 538 I CB 0.449 38.439 38.000 -0.017 0.000 1.396 538 I HN 0.258 nan 8.210 nan 0.000 0.543 539 V N 7.741 127.662 119.914 0.012 0.000 2.914 539 V HA 0.462 4.582 4.120 0.001 0.000 0.314 539 V C 0.105 176.196 176.094 -0.005 0.000 1.084 539 V CA -1.002 61.304 62.300 0.009 0.000 0.963 539 V CB 2.677 34.513 31.823 0.021 0.000 1.025 539 V HN 0.599 nan 8.190 nan 0.000 0.432 540 R N 2.918 123.414 120.500 -0.008 0.000 2.278 540 R HA 0.416 4.756 4.340 0.001 0.000 0.322 540 R C -0.631 175.663 176.300 -0.010 0.000 1.058 540 R CA -0.558 55.533 56.100 -0.015 0.000 0.991 540 R CB 0.901 31.188 30.300 -0.022 0.000 1.140 540 R HN 0.603 nan 8.270 nan 0.000 0.518 541 Q N 2.784 122.579 119.800 -0.009 0.000 2.260 541 Q HA 0.295 4.635 4.340 0.001 0.000 0.242 541 Q C -2.255 173.740 176.000 -0.008 0.000 0.932 541 Q CA -2.149 53.651 55.803 -0.006 0.000 0.891 541 Q CB 1.145 29.881 28.738 -0.004 0.000 1.222 541 Q HN 0.272 nan 8.270 nan 0.000 0.453 542 P HA 0.103 nan 4.420 nan 0.000 0.281 542 P C 0.676 177.974 177.300 -0.003 0.000 1.252 542 P CA -0.150 62.946 63.100 -0.006 0.000 0.778 542 P CB 0.711 32.408 31.700 -0.004 0.000 0.895 543 L N 3.530 124.752 121.223 -0.002 0.000 2.043 543 L HA -0.225 4.115 4.340 0.001 0.000 0.212 543 L C 1.928 178.803 176.870 0.009 0.000 1.075 543 L CA 1.968 56.811 54.840 0.006 0.000 0.752 543 L CB -0.412 41.656 42.059 0.014 0.000 0.891 543 L HN 0.166 nan 8.230 nan 0.000 0.432 544 V N -1.495 118.424 119.914 0.008 0.000 2.255 544 V HA -0.320 3.800 4.120 0.001 0.000 0.247 544 V C 2.204 178.300 176.094 0.004 0.000 1.051 544 V CA 2.177 64.482 62.300 0.008 0.000 1.018 544 V CB -0.994 30.832 31.823 0.007 0.000 0.641 544 V HN 0.473 nan 8.190 nan 0.000 0.445 545 E N 0.677 120.877 120.200 0.001 0.000 2.072 545 E HA -0.138 4.212 4.350 0.001 0.000 0.191 545 E C 2.477 179.074 176.600 -0.004 0.000 0.985 545 E CA 1.524 57.923 56.400 -0.001 0.000 0.801 545 E CB -0.226 29.473 29.700 -0.001 0.000 0.750 545 E HN 0.603 nan 8.360 nan 0.000 0.452 546 S N 0.344 116.041 115.700 -0.005 0.000 2.368 546 S HA -0.112 4.359 4.470 0.001 0.000 0.224 546 S C 2.165 176.757 174.600 -0.013 0.000 1.029 546 S CA 0.758 58.953 58.200 -0.010 0.000 0.988 546 S CB -0.031 63.163 63.200 -0.010 0.000 0.838 546 S HN 0.054 nan 8.310 nan 0.000 0.462 547 V N 1.784 121.694 119.914 -0.007 0.000 2.379 547 V HA -0.118 4.002 4.120 0.001 0.000 0.245 547 V C 2.595 178.681 176.094 -0.013 0.000 1.044 547 V CA 1.542 63.836 62.300 -0.009 0.000 1.036 547 V CB -1.120 30.706 31.823 0.005 0.000 0.664 547 V HN 0.517 nan 8.190 nan 0.000 0.453 548 A N -0.710 122.105 122.820 -0.009 0.000 1.877 548 A HA -0.288 4.032 4.320 0.001 0.000 0.216 548 A C 2.178 179.753 177.584 -0.015 0.000 1.186 548 A CA 1.985 54.016 52.037 -0.010 0.000 0.620 548 A CB -0.502 18.494 19.000 -0.005 0.000 0.822 548 A HN 0.594 nan 8.150 nan 0.000 0.443 549 Q N -1.528 118.262 119.800 -0.016 0.000 2.084 549 Q HA -0.145 4.195 4.340 0.001 0.000 0.202 549 Q C 2.267 178.250 176.000 -0.028 0.000 0.978 549 Q CA 1.868 57.659 55.803 -0.020 0.000 0.844 549 Q CB -0.394 28.334 28.738 -0.017 0.000 0.898 549 Q HN 0.648 nan 8.270 nan 0.000 0.426 550 T N 0.328 114.863 114.554 -0.032 0.000 2.833 550 T HA -0.127 4.224 4.350 0.001 0.000 0.269 550 T C 1.572 176.245 174.700 -0.045 0.000 1.054 550 T CA 1.167 63.241 62.100 -0.043 0.000 1.135 550 T CB 0.050 68.889 68.868 -0.049 0.000 0.869 550 T HN 0.142 nan 8.240 nan 0.000 0.466 551 K N 0.282 120.660 120.400 -0.037 0.000 2.097 551 K HA -0.060 4.261 4.320 0.001 0.000 0.205 551 K C 2.543 179.129 176.600 -0.024 0.000 1.050 551 K CA 1.692 57.960 56.287 -0.033 0.000 0.938 551 K CB -0.215 32.270 32.500 -0.024 0.000 0.718 551 K HN 0.512 nan 8.250 nan 0.000 0.442 552 T N -0.859 113.680 114.554 -0.024 0.000 2.915 552 T HA -0.095 4.256 4.350 0.001 0.000 0.269 552 T C 2.033 176.718 174.700 -0.025 0.000 1.071 552 T CA 1.146 63.233 62.100 -0.023 0.000 1.132 552 T CB -0.559 68.297 68.868 -0.021 0.000 0.878 552 T HN 0.107 nan 8.240 nan 0.000 0.479 553 V N 0.419 120.316 119.914 -0.029 0.000 2.379 553 V HA -0.039 4.082 4.120 0.001 0.000 0.245 553 V C 2.489 178.581 176.094 -0.002 0.000 1.044 553 V CA 1.815 64.097 62.300 -0.028 0.000 1.036 553 V CB -1.208 30.583 31.823 -0.052 0.000 0.664 553 V HN 0.467 nan 8.190 nan 0.000 0.453 554 S N 1.355 117.059 115.700 0.006 0.000 2.368 554 S HA -0.068 4.403 4.470 0.001 0.000 0.225 554 S C 2.297 176.912 174.600 0.025 0.000 1.030 554 S CA 1.754 59.977 58.200 0.038 0.000 0.999 554 S CB -0.778 62.433 63.200 0.019 0.000 0.844 554 S HN 0.987 nan 8.310 nan 0.000 0.459 555 A N 1.867 124.687 122.820 -0.000 0.000 1.877 555 A HA 0.083 4.404 4.320 0.001 0.000 0.216 555 A C 2.416 179.982 177.584 -0.031 0.000 1.186 555 A CA 1.801 53.831 52.037 -0.012 0.000 0.620 555 A CB -1.303 17.686 19.000 -0.018 0.000 0.822 555 A HN 0.522 nan 8.150 nan 0.000 0.443 556 A N 0.246 123.043 122.820 -0.039 0.000 1.892 556 A HA -0.146 4.175 4.320 0.001 0.000 0.218 556 A C 2.072 179.585 177.584 -0.117 0.000 1.188 556 A CA 1.806 53.799 52.037 -0.074 0.000 0.631 556 A CB -0.630 18.339 19.000 -0.052 0.000 0.822 556 A HN 0.462 nan 8.150 nan 0.000 0.447 557 I N -0.217 120.341 120.570 -0.020 0.000 2.127 557 I HA -0.245 3.925 4.170 0.001 0.000 0.241 557 I C 2.998 179.122 176.117 0.012 0.000 1.075 557 I CA 2.026 63.370 61.300 0.074 0.000 1.334 557 I CB -1.911 36.196 38.000 0.178 0.000 1.040 557 I HN 0.587 nan 8.210 nan 0.000 0.405 558 E N 1.293 121.503 120.200 0.017 0.000 2.171 558 E HA -0.123 4.227 4.350 0.001 0.000 0.197 558 E C 2.170 178.746 176.600 -0.041 0.000 0.997 558 E CA 1.578 57.984 56.400 0.011 0.000 0.810 558 E CB -0.734 28.977 29.700 0.017 0.000 0.738 558 E HN 0.621 nan 8.360 nan 0.000 0.467 559 A N -0.514 122.248 122.820 -0.096 0.000 2.278 559 A HA 0.293 4.613 4.320 0.001 0.000 0.212 559 A C 1.183 178.626 177.584 -0.234 0.000 1.213 559 A CA 0.875 52.837 52.037 -0.126 0.000 0.840 559 A CB -0.286 18.651 19.000 -0.106 0.000 0.866 559 A HN 0.425 nan 8.150 nan 0.000 0.489 560 K N -0.620 119.543 120.400 -0.395 0.000 3.130 560 K HA -0.198 4.123 4.320 0.001 0.000 0.282 560 K C -0.457 175.512 176.600 -1.052 0.000 1.145 560 K CA 1.064 56.872 56.287 -0.798 0.000 0.831 560 K CB -1.241 31.094 32.500 -0.275 0.000 1.226 560 K HN 0.544 nan 8.250 nan 0.000 0.478 561 D N 0.154 120.112 120.400 -0.737 0.000 2.540 561 D HA 0.188 4.829 4.640 0.001 0.000 0.251 561 D C 0.451 176.537 176.300 -0.357 0.000 1.159 561 D CA -0.654 53.088 54.000 -0.430 0.000 0.974 561 D CB -0.102 40.577 40.800 -0.202 0.000 0.996 561 D HN 0.037 nan 8.370 nan 0.000 0.512 562 F N 0.239 120.196 119.950 0.011 0.000 2.604 562 F HA 0.022 4.550 4.527 0.001 0.000 0.298 562 F C 2.034 177.836 175.800 0.003 0.000 1.131 562 F CA 0.083 58.084 58.000 0.003 0.000 1.457 562 F CB -0.077 38.930 39.000 0.011 0.000 1.095 562 F HN 0.220 nan 8.300 nan 0.000 0.574 563 D N 0.677 121.153 120.400 0.126 0.000 2.103 563 D HA -0.149 4.492 4.640 0.001 0.000 0.199 563 D C 2.295 178.624 176.300 0.049 0.000 0.978 563 D CA 0.929 54.984 54.000 0.092 0.000 0.829 563 D CB -0.188 40.656 40.800 0.073 0.000 0.981 563 D HN 0.202 nan 8.370 nan 0.000 0.464 564 K N 0.762 121.170 120.400 0.013 0.000 2.063 564 K HA -0.153 4.167 4.320 0.001 0.000 0.208 564 K C 1.976 178.570 176.600 -0.010 0.000 1.048 564 K CA 1.270 57.554 56.287 -0.005 0.000 0.928 564 K CB -0.013 32.471 32.500 -0.028 0.000 0.713 564 K HN -0.010 nan 8.250 nan 0.000 0.442 565 A N 1.413 124.230 122.820 -0.006 0.000 1.858 565 A HA -0.167 4.154 4.320 0.001 0.000 0.216 565 A C 2.153 179.694 177.584 -0.071 0.000 1.190 565 A CA 1.370 53.392 52.037 -0.024 0.000 0.617 565 A CB -0.684 18.332 19.000 0.027 0.000 0.827 565 A HN 0.387 nan 8.150 nan 0.000 0.443 566 L N -0.664 120.541 121.223 -0.030 0.000 2.046 566 L HA -0.236 4.105 4.340 0.001 0.000 0.208 566 L C 2.745 179.603 176.870 -0.020 0.000 1.077 566 L CA 1.881 56.690 54.840 -0.052 0.000 0.747 566 L CB -0.307 41.776 42.059 0.040 0.000 0.896 566 L HN 0.482 nan 8.230 nan 0.000 0.432 567 Q N -0.749 119.060 119.800 0.014 0.000 2.170 567 Q HA -0.202 4.138 4.340 0.001 0.000 0.203 567 Q C 2.125 178.125 176.000 0.000 0.000 0.976 567 Q CA 1.421 57.240 55.803 0.027 0.000 0.858 567 Q CB -0.148 28.608 28.738 0.031 0.000 0.907 567 Q HN 0.483 nan 8.270 nan 0.000 0.433 568 L N 0.388 121.591 121.223 -0.033 0.000 2.622 568 L HA -0.047 4.293 4.340 0.001 0.000 0.233 568 L C 0.375 177.198 176.870 -0.079 0.000 1.156 568 L CA 0.226 55.038 54.840 -0.047 0.000 0.866 568 L CB 0.184 42.212 42.059 -0.052 0.000 0.980 568 L HN 0.018 nan 8.230 nan 0.000 0.448 569 R N 0.725 121.152 120.500 -0.121 0.000 2.404 569 R HA 0.174 4.514 4.340 0.001 0.000 0.291 569 R C -0.417 175.882 176.300 -0.002 0.000 1.025 569 R CA -0.683 55.315 56.100 -0.170 0.000 0.991 569 R CB 0.715 30.705 30.300 -0.516 0.000 1.053 569 R HN 0.083 nan 8.270 nan 0.000 0.479 570 D N 1.160 121.592 120.400 0.054 0.000 2.364 570 D HA -0.089 4.551 4.640 0.001 0.000 0.236 570 D C 0.864 177.269 176.300 0.175 0.000 1.221 570 D CA -0.260 53.805 54.000 0.109 0.000 0.891 570 D CB 0.696 41.558 40.800 0.104 0.000 1.190 570 D HN 0.152 nan 8.370 nan 0.000 0.449 571 Q N -0.120 119.768 119.800 0.148 0.000 2.181 571 Q HA -0.218 4.122 4.340 0.001 0.000 0.205 571 Q C 1.672 177.785 176.000 0.188 0.000 0.980 571 Q CA 1.307 57.205 55.803 0.157 0.000 0.862 571 Q CB -0.296 28.516 28.738 0.122 0.000 0.905 571 Q HN 0.779 nan 8.270 nan 0.000 0.429 572 E N -0.324 119.995 120.200 0.199 0.000 2.049 572 E HA -0.208 4.143 4.350 0.001 0.000 0.198 572 E C 1.845 178.607 176.600 0.271 0.000 1.007 572 E CA 1.051 57.584 56.400 0.222 0.000 0.809 572 E CB -0.287 29.558 29.700 0.242 0.000 0.749 572 E HN 0.349 nan 8.360 nan 0.000 0.450 573 F N 0.860 120.923 119.950 0.188 0.000 2.113 573 F HA -0.136 4.391 4.527 0.001 0.000 0.297 573 F C 2.352 178.246 175.800 0.156 0.000 1.103 573 F CA 1.658 59.771 58.000 0.188 0.000 1.248 573 F CB -0.286 38.813 39.000 0.165 0.000 0.999 573 F HN 0.120 nan 8.300 nan 0.000 0.475 574 A N -0.061 123.013 122.820 0.423 0.000 1.858 574 A HA -0.247 4.073 4.320 0.001 0.000 0.216 574 A C 2.234 179.962 177.584 0.239 0.000 1.190 574 A CA 2.643 54.881 52.037 0.336 0.000 0.617 574 A CB -1.646 17.503 19.000 0.249 0.000 0.827 574 A HN 0.512 nan 8.150 nan 0.000 0.443 575 T N -2.930 111.731 114.554 0.179 0.000 2.788 575 T HA -0.106 4.245 4.350 0.001 0.000 0.268 575 T C 2.008 176.766 174.700 0.098 0.000 1.044 575 T CA 1.889 64.067 62.100 0.131 0.000 1.139 575 T CB -0.572 68.368 68.868 0.119 0.000 0.867 575 T HN 0.263 nan 8.240 nan 0.000 0.454 576 S N 0.494 116.237 115.700 0.072 0.000 2.368 576 S HA 0.006 4.477 4.470 0.001 0.000 0.224 576 S C 1.626 176.243 174.600 0.029 0.000 1.029 576 S CA 0.909 59.108 58.200 -0.001 0.000 0.988 576 S CB -0.607 62.524 63.200 -0.115 0.000 0.838 576 S HN 0.617 nan 8.310 nan 0.000 0.462 577 Y N 2.692 122.928 120.300 -0.108 0.000 2.200 577 Y HA -0.122 4.429 4.550 0.001 0.000 0.290 577 Y C 2.656 178.586 175.900 0.050 0.000 1.137 577 Y CA 1.675 59.738 58.100 -0.061 0.000 1.163 577 Y CB -1.002 37.440 38.460 -0.031 0.000 0.988 577 Y HN 0.343 nan 8.280 nan 0.000 0.518 578 E N 0.451 120.660 120.200 0.015 0.000 2.077 578 E HA -0.249 4.102 4.350 0.001 0.000 0.193 578 E C 1.968 178.537 176.600 -0.051 0.000 0.989 578 E CA 1.700 58.072 56.400 -0.047 0.000 0.800 578 E CB -1.106 28.626 29.700 0.054 0.000 0.746 578 E HN 0.773 nan 8.360 nan 0.000 0.452 579 N N -1.509 117.190 118.700 -0.003 0.000 2.142 579 N HA -0.058 4.683 4.740 0.001 0.000 0.186 579 N C 1.822 177.280 175.510 -0.086 0.000 1.023 579 N CA 1.270 54.310 53.050 -0.018 0.000 0.852 579 N CB -0.200 38.299 38.487 0.020 0.000 0.998 579 N HN 0.458 nan 8.380 nan 0.000 0.424 580 F N 1.781 121.618 119.950 -0.188 0.000 2.102 580 F HA -0.122 4.405 4.527 0.001 0.000 0.298 580 F C 2.026 177.660 175.800 -0.276 0.000 1.105 580 F CA 0.921 58.789 58.000 -0.220 0.000 1.239 580 F CB -0.301 38.590 39.000 -0.183 0.000 0.991 580 F HN -0.091 nan 8.300 nan 0.000 0.474 581 L N 0.085 121.130 121.223 -0.296 0.000 2.046 581 L HA -0.198 4.142 4.340 0.001 0.000 0.208 581 L C 2.583 179.264 176.870 -0.316 0.000 1.077 581 L CA 1.804 56.425 54.840 -0.366 0.000 0.747 581 L CB -1.323 40.496 42.059 -0.400 0.000 0.896 581 L HN 0.126 nan 8.230 nan 0.000 0.432 582 S N -1.036 114.510 115.700 -0.258 0.000 2.354 582 S HA -0.185 4.285 4.470 0.001 0.000 0.219 582 S C 2.043 176.147 174.600 -0.827 0.000 1.035 582 S CA 1.570 59.635 58.200 -0.224 0.000 1.037 582 S CB -0.566 62.583 63.200 -0.084 0.000 0.956 582 S HN 0.238 nan 8.310 nan 0.000 0.428 583 V N 1.522 120.788 119.914 -1.081 0.000 2.324 583 V HA -0.215 3.906 4.120 0.001 0.000 0.250 583 V C 2.576 178.154 176.094 -0.860 0.000 1.060 583 V CA 2.116 63.588 62.300 -1.379 0.000 1.042 583 V CB -1.027 30.380 31.823 -0.693 0.000 0.650 583 V HN 0.498 nan 8.190 nan 0.000 0.450 584 S N -0.147 115.149 115.700 -0.673 0.000 2.359 584 S HA -0.217 4.253 4.470 0.001 0.000 0.224 584 S C 2.044 176.558 174.600 -0.143 0.000 1.035 584 S CA 2.054 59.999 58.200 -0.425 0.000 1.018 584 S CB -0.343 62.521 63.200 -0.560 0.000 0.876 584 S HN 0.717 nan 8.310 nan 0.000 0.448 585 K N -0.098 120.211 120.400 -0.153 0.000 2.505 585 K HA 0.138 4.458 4.320 0.001 0.000 0.192 585 K C 1.287 178.053 176.600 0.278 0.000 1.025 585 K CA 0.496 56.830 56.287 0.077 0.000 1.086 585 K CB -0.964 31.623 32.500 0.146 0.000 0.840 585 K HN 0.588 nan 8.250 nan 0.000 0.514 586 Y N 1.636 121.940 120.300 0.007 0.000 2.333 586 Y HA -0.091 4.460 4.550 0.001 0.000 0.290 586 Y C 1.451 177.399 175.900 0.080 0.000 1.144 586 Y CA 1.063 59.151 58.100 -0.020 0.000 1.228 586 Y CB -0.446 38.024 38.460 0.017 0.000 0.985 586 Y HN 0.454 nan 8.280 nan 0.000 0.542 587 D N -0.392 120.038 120.400 0.050 0.000 2.264 587 D HA -0.126 4.514 4.640 0.001 0.000 0.208 587 D C 1.626 177.870 176.300 -0.092 0.000 0.966 587 D CA 1.008 54.873 54.000 -0.225 0.000 0.864 587 D CB -0.204 40.460 40.800 -0.227 0.000 0.933 587 D HN 0.211 nan 8.370 nan 0.000 0.499 588 D N 0.080 120.504 120.400 0.040 0.000 2.126 588 D HA -0.119 4.521 4.640 0.001 0.000 0.190 588 D C 1.966 178.289 176.300 0.038 0.000 1.001 588 D CA 2.071 56.093 54.000 0.037 0.000 0.841 588 D CB -0.349 40.505 40.800 0.091 0.000 0.949 588 D HN 0.348 nan 8.370 nan 0.000 0.446 589 G N -0.957 107.911 108.800 0.113 0.000 2.159 589 G HA2 -0.292 3.669 3.960 0.001 0.000 0.227 589 G HA3 -0.292 3.669 3.960 0.001 0.000 0.227 589 G C 1.124 176.068 174.900 0.074 0.000 0.986 589 G CA 1.099 46.256 45.100 0.096 0.000 0.651 589 G HN 0.442 nan 8.290 nan 0.000 0.523 590 S N -0.907 114.830 115.700 0.062 0.000 2.453 590 S HA 0.054 4.525 4.470 0.001 0.000 0.231 590 S C 1.765 176.282 174.600 -0.138 0.000 1.005 590 S CA 1.470 59.628 58.200 -0.070 0.000 0.949 590 S CB -0.329 62.778 63.200 -0.155 0.000 0.774 590 S HN 0.493 nan 8.310 nan 0.000 0.510 591 Y N 1.345 121.670 120.300 0.042 0.000 2.516 591 Y HA 0.340 4.891 4.550 0.001 0.000 0.291 591 Y C 1.307 177.193 175.900 -0.024 0.000 1.131 591 Y CA -0.334 57.781 58.100 0.024 0.000 1.281 591 Y CB -0.057 38.425 38.460 0.037 0.000 1.013 591 Y HN 0.225 nan 8.280 nan 0.000 0.554 592 L N 2.400 123.681 121.223 0.098 0.000 2.578 592 L HA 0.022 4.363 4.340 0.001 0.000 0.279 592 L C 0.106 176.968 176.870 -0.014 0.000 1.227 592 L CA 0.560 55.412 54.840 0.019 0.000 0.900 592 L CB 0.124 42.197 42.059 0.024 0.000 1.144 592 L HN 0.010 nan 8.230 nan 0.000 0.496 593 V N 4.518 124.401 119.914 -0.052 0.000 2.769 593 V HA 0.666 4.787 4.120 0.001 0.000 0.312 593 V C -2.298 173.778 176.094 -0.030 0.000 1.058 593 V CA -2.057 60.223 62.300 -0.034 0.000 0.952 593 V CB 1.315 33.125 31.823 -0.021 0.000 1.019 593 V HN 0.706 nan 8.190 nan 0.000 0.445 594 P HA 0.070 nan 4.420 nan 0.000 0.266 594 P C 0.606 177.885 177.300 -0.036 0.000 1.193 594 P CA 0.379 63.463 63.100 -0.025 0.000 0.770 594 P CB 0.700 32.386 31.700 -0.024 0.000 0.836 595 E N 1.330 121.503 120.200 -0.044 0.000 2.136 595 E HA -0.238 4.113 4.350 0.001 0.000 0.202 595 E C 2.041 178.595 176.600 -0.075 0.000 1.019 595 E CA 2.550 58.922 56.400 -0.046 0.000 0.819 595 E CB -0.303 29.372 29.700 -0.043 0.000 0.739 595 E HN 0.555 nan 8.360 nan 0.000 0.458 596 S N -0.098 115.508 115.700 -0.157 0.000 2.382 596 S HA -0.127 4.343 4.470 0.001 0.000 0.228 596 S C 2.041 176.463 174.600 -0.297 0.000 1.027 596 S CA 1.256 59.232 58.200 -0.374 0.000 0.991 596 S CB -0.113 62.752 63.200 -0.559 0.000 0.823 596 S HN 0.024 nan 8.310 nan 0.000 0.469 597 S N 1.184 116.849 115.700 -0.059 0.000 2.603 597 S HA 0.177 4.647 4.470 0.001 0.000 0.220 597 S C 0.644 175.365 174.600 0.201 0.000 0.967 597 S CA -0.075 58.205 58.200 0.133 0.000 0.920 597 S CB -0.074 63.202 63.200 0.126 0.000 0.773 597 S HN 0.446 nan 8.310 nan 0.000 0.529 598 R N 1.076 121.662 120.500 0.144 0.000 2.490 598 R HA 0.486 4.826 4.340 0.001 0.000 0.280 598 R C -0.519 175.959 176.300 0.296 0.000 1.077 598 R CA 0.174 56.418 56.100 0.241 0.000 1.065 598 R CB 0.418 30.779 30.300 0.100 0.000 1.003 598 R HN 0.197 nan 8.270 nan 0.000 0.470 599 L N 1.209 122.687 121.223 0.425 0.000 2.257 599 L HA 0.480 4.821 4.340 0.001 0.000 0.257 599 L C -0.448 176.547 176.870 0.209 0.000 1.033 599 L CA -1.325 53.625 54.840 0.184 0.000 0.835 599 L CB 1.431 43.459 42.059 -0.051 0.000 1.398 599 L HN 0.412 nan 8.230 nan 0.000 0.429 600 N N 1.613 120.451 118.700 0.230 0.000 2.511 600 N HA 0.464 5.204 4.740 0.001 0.000 0.249 600 N C -1.105 174.615 175.510 0.350 0.000 0.971 600 N CA -0.324 52.973 53.050 0.412 0.000 0.938 600 N CB 1.218 39.969 38.487 0.441 0.000 1.131 600 N HN 0.328 nan 8.380 nan 0.000 0.505 601 I N 1.315 122.030 120.570 0.242 0.000 2.353 601 I HA 0.484 4.654 4.170 0.001 0.000 0.293 601 I C 0.521 176.610 176.117 -0.047 0.000 0.992 601 I CA -1.263 60.066 61.300 0.048 0.000 1.268 601 I CB 0.751 38.727 38.000 -0.040 0.000 1.387 601 I HN 0.324 nan 8.210 nan 0.000 0.478 602 A N 7.825 130.445 122.820 -0.334 0.000 2.317 602 A HA 0.848 5.169 4.320 0.001 0.000 0.327 602 A C -0.464 176.907 177.584 -0.356 0.000 1.178 602 A CA -0.499 51.161 52.037 -0.628 0.000 0.817 602 A CB 0.847 18.933 19.000 -1.524 0.000 1.189 602 A HN 0.633 nan 8.150 nan 0.000 0.489 603 I N 2.792 123.191 120.570 -0.285 0.000 2.436 603 I HA 0.502 4.672 4.170 0.001 0.000 0.289 603 I C -0.660 175.303 176.117 -0.256 0.000 1.010 603 I CA -0.343 60.847 61.300 -0.183 0.000 1.098 603 I CB 1.734 39.679 38.000 -0.092 0.000 1.266 603 I HN 0.648 nan 8.210 nan 0.000 0.434 604 I N 5.112 125.561 120.570 -0.201 0.000 2.647 604 I HA 0.390 4.561 4.170 0.001 0.000 0.295 604 I C -0.985 175.108 176.117 -0.040 0.000 1.078 604 I CA -0.447 60.696 61.300 -0.261 0.000 1.048 604 I CB 2.136 39.897 38.000 -0.398 0.000 1.239 604 I HN 0.609 nan 8.210 nan 0.000 0.421 605 H N 5.994 124.977 119.070 -0.144 0.000 2.661 605 H HA 0.427 4.984 4.556 0.001 0.000 0.290 605 H C -1.016 174.265 175.328 -0.078 0.000 1.082 605 H CA -0.937 55.055 56.048 -0.094 0.000 1.234 605 H CB 1.353 31.063 29.762 -0.088 0.000 1.387 605 H HN 0.192 nan 8.280 nan 0.000 0.476 606 V N 3.792 123.754 119.914 0.080 0.000 2.328 606 V HA 0.623 4.744 4.120 0.001 0.000 0.278 606 V C 0.656 176.799 176.094 0.083 0.000 1.021 606 V CA -0.118 62.233 62.300 0.084 0.000 0.838 606 V CB 0.836 32.742 31.823 0.138 0.000 0.999 606 V HN 1.122 nan 8.190 nan 0.000 0.447 607 G N 3.907 112.755 108.800 0.079 0.000 2.343 607 G HA2 0.437 4.398 3.960 0.001 0.000 0.465 607 G HA3 0.437 4.398 3.960 0.001 0.000 0.465 607 G C -0.344 174.585 174.900 0.048 0.000 1.282 607 G CA -0.273 44.871 45.100 0.073 0.000 0.996 607 G HN 1.216 nan 8.290 nan 0.000 0.521 608 A N 0.501 123.349 122.820 0.046 0.000 2.425 608 A HA 0.717 5.037 4.320 0.001 0.000 0.242 608 A C -1.721 175.867 177.584 0.006 0.000 1.077 608 A CA -0.206 51.855 52.037 0.041 0.000 0.781 608 A CB -0.399 18.637 19.000 0.059 0.000 1.020 608 A HN 0.637 nan 8.150 nan 0.000 0.494 609 P HA 0.362 nan 4.420 nan 0.000 0.271 609 P C -0.337 176.931 177.300 -0.053 0.000 1.218 609 P CA 0.093 63.172 63.100 -0.036 0.000 0.780 609 P CB 0.879 32.562 31.700 -0.029 0.000 0.901 610 T N -3.074 111.425 114.554 -0.091 0.000 2.909 610 T HA 0.335 4.686 4.350 0.001 0.000 0.299 610 T C 0.986 175.620 174.700 -0.110 0.000 1.073 610 T CA -0.466 61.574 62.100 -0.099 0.000 0.999 610 T CB 1.216 70.015 68.868 -0.115 0.000 1.098 610 T HN 0.258 nan 8.240 nan 0.000 0.477 611 S N 1.081 116.726 115.700 -0.093 0.000 2.423 611 S HA -0.021 4.450 4.470 0.001 0.000 0.231 611 S C 2.231 176.774 174.600 -0.094 0.000 1.014 611 S CA 0.530 58.675 58.200 -0.092 0.000 0.965 611 S CB -0.845 62.311 63.200 -0.073 0.000 0.785 611 S HN 1.082 nan 8.310 nan 0.000 0.495 612 A N 1.490 124.256 122.820 -0.089 0.000 2.172 612 A HA 0.249 4.569 4.320 0.001 0.000 0.216 612 A C 2.069 179.590 177.584 -0.105 0.000 1.154 612 A CA 0.637 52.630 52.037 -0.074 0.000 0.701 612 A CB -0.723 18.238 19.000 -0.064 0.000 0.789 612 A HN 0.542 nan 8.150 nan 0.000 0.465 613 L N -0.361 120.754 121.223 -0.179 0.000 1.976 613 L HA -0.219 4.121 4.340 0.001 0.000 0.209 613 L C 2.397 179.155 176.870 -0.187 0.000 1.071 613 L CA 1.425 56.084 54.840 -0.302 0.000 0.746 613 L CB -0.647 41.114 42.059 -0.497 0.000 0.890 613 L HN 0.359 nan 8.230 nan 0.000 0.432 614 N N -0.346 118.262 118.700 -0.152 0.000 2.084 614 N HA -0.123 4.618 4.740 0.001 0.000 0.190 614 N C -0.822 174.783 175.510 0.160 0.000 1.030 614 N CA 1.599 54.608 53.050 -0.068 0.000 0.849 614 N CB -1.615 36.673 38.487 -0.332 0.000 1.012 614 N HN 0.286 nan 8.380 nan 0.000 0.423 615 P HA -0.102 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 1.660 64.846 63.100 0.144 0.000 0.853 615 P CB -0.056 31.699 31.700 0.091 0.000 0.788 616 A N -0.145 122.723 122.820 0.080 0.000 1.883 616 A HA -0.169 4.152 4.320 0.001 0.000 0.217 616 A C 2.351 180.004 177.584 0.115 0.000 1.186 616 A CA 2.697 54.776 52.037 0.070 0.000 0.624 616 A CB -1.961 17.049 19.000 0.017 0.000 0.822 616 A HN 0.223 nan 8.150 nan 0.000 0.444 617 T N -0.796 113.868 114.554 0.184 0.000 2.821 617 T HA -0.132 4.219 4.350 0.001 0.000 0.267 617 T C 2.003 176.839 174.700 0.228 0.000 1.046 617 T CA 1.375 63.637 62.100 0.269 0.000 1.139 617 T CB -0.237 68.910 68.868 0.466 0.000 0.871 617 T HN 0.580 nan 8.240 nan 0.000 0.454 618 R N 0.846 121.513 120.500 0.277 0.000 2.088 618 R HA -0.110 4.230 4.340 0.001 0.000 0.232 618 R C 2.343 178.672 176.300 0.050 0.000 1.136 618 R CA 1.662 57.844 56.100 0.136 0.000 0.926 618 R CB -0.732 29.696 30.300 0.213 0.000 0.837 618 R HN 0.223 nan 8.270 nan 0.000 0.429 619 V N 1.336 121.302 119.914 0.085 0.000 2.324 619 V HA -0.277 3.844 4.120 0.001 0.000 0.250 619 V C 2.554 178.679 176.094 0.052 0.000 1.060 619 V CA 2.028 64.379 62.300 0.085 0.000 1.042 619 V CB -0.968 30.909 31.823 0.091 0.000 0.650 619 V HN 0.615 nan 8.190 nan 0.000 0.450 620 A N -0.154 122.687 122.820 0.035 0.000 1.902 620 A HA -0.216 4.105 4.320 0.001 0.000 0.217 620 A C 2.408 179.944 177.584 -0.081 0.000 1.181 620 A CA 2.498 54.534 52.037 -0.001 0.000 0.623 620 A CB -0.958 18.059 19.000 0.028 0.000 0.818 620 A HN 0.520 nan 8.150 nan 0.000 0.443 621 T N 0.670 115.157 114.554 -0.111 0.000 2.737 621 T HA -0.075 4.275 4.350 0.001 0.000 0.265 621 T C 1.837 176.318 174.700 -0.365 0.000 1.038 621 T CA 1.509 63.470 62.100 -0.232 0.000 1.144 621 T CB -0.430 68.280 68.868 -0.264 0.000 0.866 621 T HN 0.380 nan 8.240 nan 0.000 0.434 622 L N 1.457 122.498 121.223 -0.303 0.000 2.017 622 L HA -0.115 4.226 4.340 0.001 0.000 0.208 622 L C 2.794 179.362 176.870 -0.504 0.000 1.073 622 L CA 1.149 55.776 54.840 -0.355 0.000 0.745 622 L CB -0.787 41.333 42.059 0.102 0.000 0.894 622 L HN 0.288 nan 8.230 nan 0.000 0.432 623 N N 0.214 118.635 118.700 -0.464 0.000 2.069 623 N HA -0.182 4.559 4.740 0.001 0.000 0.191 623 N C 1.866 177.072 175.510 -0.507 0.000 1.031 623 N CA 2.086 54.675 53.050 -0.769 0.000 0.852 623 N CB 0.063 38.365 38.487 -0.307 0.000 1.018 623 N HN 0.255 nan 8.380 nan 0.000 0.423 624 S N 1.184 116.714 115.700 -0.282 0.000 2.355 624 S HA 0.005 4.476 4.470 0.001 0.000 0.222 624 S C 2.189 176.671 174.600 -0.196 0.000 1.031 624 S CA 0.642 58.778 58.200 -0.107 0.000 0.993 624 S CB -0.275 62.881 63.200 -0.073 0.000 0.859 624 S HN 0.301 nan 8.310 nan 0.000 0.453 625 L N 1.333 122.308 121.223 -0.412 0.000 2.083 625 L HA -0.126 4.215 4.340 0.001 0.000 0.209 625 L C 2.795 179.488 176.870 -0.294 0.000 1.083 625 L CA 1.058 55.588 54.840 -0.516 0.000 0.752 625 L CB -0.747 40.652 42.059 -1.100 0.000 0.899 625 L HN 0.335 nan 8.230 nan 0.000 0.433 626 A N 0.393 123.059 122.820 -0.258 0.000 1.978 626 A HA -0.225 4.096 4.320 0.001 0.000 0.220 626 A C 2.199 179.790 177.584 0.011 0.000 1.170 626 A CA 1.740 53.795 52.037 0.029 0.000 0.636 626 A CB -0.302 18.511 19.000 -0.311 0.000 0.810 626 A HN 0.387 nan 8.150 nan 0.000 0.448 627 K N -1.846 118.462 120.400 -0.153 0.000 2.426 627 K HA 0.280 4.601 4.320 0.001 0.000 0.193 627 K C 1.052 177.428 176.600 -0.373 0.000 1.028 627 K CA 0.511 56.656 56.287 -0.238 0.000 1.047 627 K CB 0.104 32.395 32.500 -0.348 0.000 0.821 627 K HN 0.655 nan 8.250 nan 0.000 0.513 628 G N 1.530 110.167 108.800 -0.272 0.000 2.157 628 G HA2 -0.205 3.756 3.960 0.001 0.000 0.239 628 G HA3 -0.205 3.756 3.960 0.001 0.000 0.239 628 G C -0.243 174.544 174.900 -0.188 0.000 0.982 628 G CA -0.330 44.656 45.100 -0.189 0.000 0.650 628 G HN 0.296 nan 8.290 nan 0.000 0.527 629 H N 0.262 119.300 119.070 -0.053 0.000 2.607 629 H HA 0.474 5.031 4.556 0.001 0.000 0.367 629 H C 0.943 176.210 175.328 -0.102 0.000 1.181 629 H CA -0.031 55.990 56.048 -0.044 0.000 1.402 629 H CB 0.540 30.276 29.762 -0.042 0.000 1.474 629 H HN 0.298 nan 8.280 nan 0.000 0.596 630 R N 0.949 121.492 120.500 0.071 0.000 2.294 630 R HA 0.375 4.716 4.340 0.001 0.000 0.319 630 R C -0.780 175.331 176.300 -0.315 0.000 0.984 630 R CA -0.738 55.265 56.100 -0.161 0.000 0.861 630 R CB 1.268 31.526 30.300 -0.070 0.000 1.104 630 R HN 0.215 nan 8.270 nan 0.000 0.451 631 V N 4.842 124.449 119.914 -0.511 0.000 2.370 631 V HA 0.394 4.515 4.120 0.001 0.000 0.279 631 V C -0.629 175.088 176.094 -0.628 0.000 1.029 631 V CA -0.501 61.547 62.300 -0.420 0.000 0.870 631 V CB 0.706 32.345 31.823 -0.307 0.000 0.984 631 V HN 0.529 nan 8.190 nan 0.000 0.451 632 F N 2.805 122.708 119.950 -0.078 0.000 2.477 632 F HA 0.731 5.259 4.527 0.001 0.000 0.335 632 F C 0.411 176.091 175.800 -0.199 0.000 1.130 632 F CA -0.661 57.293 58.000 -0.076 0.000 0.948 632 F CB 1.826 40.880 39.000 0.090 0.000 1.154 632 F HN 0.520 nan 8.300 nan 0.000 0.439 633 A N 4.889 127.697 122.820 -0.021 0.000 2.253 633 A HA 0.661 4.981 4.320 0.001 0.000 0.316 633 A C -0.303 177.189 177.584 -0.153 0.000 1.327 633 A CA -0.564 51.402 52.037 -0.119 0.000 0.917 633 A CB -0.130 18.826 19.000 -0.073 0.000 1.162 633 A HN 0.776 nan 8.150 nan 0.000 0.535 634 I N 3.628 124.048 120.570 -0.249 0.000 2.471 634 I HA 0.054 4.225 4.170 0.001 0.000 0.294 634 I C 0.740 176.713 176.117 -0.240 0.000 1.123 634 I CA 0.307 61.451 61.300 -0.259 0.000 1.336 634 I CB 0.071 37.879 38.000 -0.320 0.000 1.430 634 I HN 0.596 nan 8.210 nan 0.000 0.533 635 R N 6.456 126.853 120.500 -0.171 0.000 2.389 635 R HA 0.166 4.507 4.340 0.001 0.000 0.295 635 R C 0.277 176.513 176.300 -0.107 0.000 1.075 635 R CA -0.342 55.679 56.100 -0.131 0.000 1.005 635 R CB 0.234 30.487 30.300 -0.080 0.000 0.987 635 R HN 0.600 nan 8.270 nan 0.000 0.452 636 N N 1.447 120.091 118.700 -0.093 0.000 2.756 636 N HA -0.190 4.550 4.740 0.001 0.000 0.248 636 N C 0.539 176.017 175.510 -0.054 0.000 1.062 636 N CA 1.113 54.134 53.050 -0.049 0.000 0.696 636 N CB -1.299 37.181 38.487 -0.010 0.000 0.946 636 N HN 1.091 nan 8.380 nan 0.000 0.548 637 G N 0.110 108.842 108.800 -0.113 0.000 2.578 637 G HA2 -0.367 3.594 3.960 0.001 0.000 0.284 637 G HA3 -0.367 3.594 3.960 0.001 0.000 0.284 637 G C 0.744 175.519 174.900 -0.208 0.000 1.283 637 G CA 0.529 45.530 45.100 -0.165 0.000 0.944 637 G HN 0.201 nan 8.290 nan 0.000 0.558 638 F N 1.202 121.163 119.950 0.018 0.000 2.234 638 F HA 0.180 4.707 4.527 0.001 0.000 0.299 638 F C 3.083 178.894 175.800 0.018 0.000 1.087 638 F CA 2.125 60.138 58.000 0.022 0.000 1.340 638 F CB -0.731 38.274 39.000 0.007 0.000 1.031 638 F HN 0.603 nan 8.300 nan 0.000 0.500 639 A N 0.339 123.255 122.820 0.160 0.000 1.908 639 A HA -0.104 4.216 4.320 0.001 0.000 0.218 639 A C 2.598 180.218 177.584 0.060 0.000 1.181 639 A CA 1.865 53.959 52.037 0.095 0.000 0.627 639 A CB -1.591 17.456 19.000 0.078 0.000 0.818 639 A HN 0.397 nan 8.150 nan 0.000 0.445 640 G N -0.483 108.347 108.800 0.050 0.000 2.418 640 G HA2 -0.184 3.776 3.960 0.001 0.000 0.217 640 G HA3 -0.184 3.776 3.960 0.001 0.000 0.217 640 G C 1.558 176.454 174.900 -0.007 0.000 1.158 640 G CA 0.943 46.076 45.100 0.054 0.000 0.771 640 G HN 0.402 nan 8.290 nan 0.000 0.545 641 L N 0.077 121.276 121.223 -0.041 0.000 1.988 641 L HA -0.013 4.327 4.340 0.001 0.000 0.207 641 L C 2.919 179.745 176.870 -0.073 0.000 1.071 641 L CA 1.507 56.281 54.840 -0.110 0.000 0.744 641 L CB -0.437 41.656 42.059 0.056 0.000 0.893 641 L HN 0.232 nan 8.230 nan 0.000 0.433 642 I N -0.133 120.503 120.570 0.109 0.000 2.127 642 I HA -0.354 3.816 4.170 0.001 0.000 0.241 642 I C 2.735 178.890 176.117 0.063 0.000 1.075 642 I CA 1.613 63.011 61.300 0.162 0.000 1.334 642 I CB -0.309 37.764 38.000 0.123 0.000 1.040 642 I HN 0.241 nan 8.210 nan 0.000 0.405 643 R N -0.805 119.639 120.500 -0.094 0.000 2.119 643 R HA -0.026 4.315 4.340 0.001 0.000 0.222 643 R C 1.397 177.313 176.300 -0.641 0.000 1.088 643 R CA 0.962 56.839 56.100 -0.371 0.000 0.984 643 R CB -0.047 29.962 30.300 -0.486 0.000 0.884 643 R HN 0.502 nan 8.270 nan 0.000 0.447 644 H N -2.241 116.845 119.070 0.027 0.000 3.398 644 H HA 0.212 4.769 4.556 0.001 0.000 0.260 644 H C 0.928 176.234 175.328 -0.036 0.000 1.189 644 H CA 0.531 56.589 56.048 0.016 0.000 1.145 644 H CB 1.413 31.176 29.762 0.002 0.000 1.599 644 H HN 0.356 nan 8.280 nan 0.000 0.615 645 G N 1.882 110.578 108.800 -0.174 0.000 2.203 645 G HA2 -0.326 3.634 3.960 0.001 0.000 0.263 645 G HA3 -0.326 3.634 3.960 0.001 0.000 0.263 645 G C 0.856 175.590 174.900 -0.276 0.000 1.012 645 G CA 0.386 45.129 45.100 -0.595 0.000 0.749 645 G HN 0.622 nan 8.290 nan 0.000 0.512 646 A N -0.248 122.485 122.820 -0.146 0.000 3.196 646 A HA 0.467 4.788 4.320 0.001 0.000 0.275 646 A C 0.830 178.331 177.584 -0.138 0.000 2.036 646 A CA 0.864 52.853 52.037 -0.080 0.000 1.503 646 A CB -0.262 18.719 19.000 -0.031 0.000 0.918 646 A HN 1.131 nan 8.150 nan 0.000 0.599 647 V N 2.665 122.479 119.914 -0.165 0.000 2.435 647 V HA 0.540 4.660 4.120 0.001 0.000 0.290 647 V C 0.457 176.550 176.094 -0.003 0.000 1.030 647 V CA -0.737 61.446 62.300 -0.196 0.000 0.881 647 V CB 1.578 33.016 31.823 -0.640 0.000 0.983 647 V HN 0.751 nan 8.190 nan 0.000 0.445 648 R N 3.422 123.950 120.500 0.047 0.000 2.502 648 R HA 0.382 4.722 4.340 0.001 0.000 0.300 648 R C -0.587 175.774 176.300 0.102 0.000 0.984 648 R CA -0.556 55.596 56.100 0.086 0.000 0.882 648 R CB 1.865 32.189 30.300 0.040 0.000 1.180 648 R HN 0.914 nan 8.270 nan 0.000 0.444 649 E N 4.542 124.810 120.200 0.113 0.000 2.360 649 E HA 0.177 4.527 4.350 0.001 0.000 0.269 649 E C -0.690 175.824 176.600 -0.142 0.000 1.022 649 E CA -0.265 56.087 56.400 -0.082 0.000 0.887 649 E CB 0.796 30.445 29.700 -0.084 0.000 0.990 649 E HN 0.444 nan 8.360 nan 0.000 0.426 650 L N 4.358 125.430 121.223 -0.253 0.000 2.322 650 L HA 0.477 4.818 4.340 0.001 0.000 0.279 650 L C 0.192 176.887 176.870 -0.291 0.000 1.036 650 L CA -0.834 53.859 54.840 -0.245 0.000 0.807 650 L CB 1.412 43.312 42.059 -0.265 0.000 1.226 650 L HN 0.558 nan 8.230 nan 0.000 0.433 651 N N 0.571 119.119 118.700 -0.254 0.000 2.405 651 N HA 0.187 4.928 4.740 0.001 0.000 0.285 651 N C 0.176 175.559 175.510 -0.212 0.000 1.262 651 N CA -0.604 52.305 53.050 -0.234 0.000 0.773 651 N CB 1.515 39.945 38.487 -0.095 0.000 1.490 651 N HN 0.604 nan 8.380 nan 0.000 0.486 652 W N 0.543 121.765 121.300 -0.130 0.000 2.290 652 W HA -0.161 4.499 4.660 0.001 0.000 0.311 652 W C 2.103 178.538 176.519 -0.139 0.000 1.238 652 W CA 0.486 57.758 57.345 -0.122 0.000 1.255 652 W CB -0.268 29.146 29.460 -0.075 0.000 1.145 652 W HN 0.559 nan 8.180 nan 0.000 0.506 653 I N 0.186 120.821 120.570 0.109 0.000 2.439 653 I HA -0.247 3.924 4.170 0.001 0.000 0.251 653 I C 1.909 177.983 176.117 -0.073 0.000 1.139 653 I CA 1.708 63.023 61.300 0.024 0.000 1.438 653 I CB -0.472 37.551 38.000 0.038 0.000 1.085 653 I HN -0.070 nan 8.210 nan 0.000 0.427 654 D N -0.228 120.082 120.400 -0.150 0.000 2.178 654 D HA -0.151 4.490 4.640 0.001 0.000 0.201 654 D C 2.286 178.239 176.300 -0.578 0.000 0.980 654 D CA 1.187 55.041 54.000 -0.245 0.000 0.842 654 D CB -0.047 40.610 40.800 -0.238 0.000 0.948 654 D HN 0.242 nan 8.370 nan 0.000 0.472 655 V N 1.462 120.971 119.914 -0.675 0.000 2.720 655 V HA -0.152 3.969 4.120 0.001 0.000 0.256 655 V C 0.753 176.453 176.094 -0.657 0.000 1.082 655 V CA 0.898 62.632 62.300 -0.944 0.000 1.101 655 V CB -0.361 31.176 31.823 -0.477 0.000 0.693 655 V HN 0.158 nan 8.190 nan 0.000 0.479 656 E N 1.157 121.188 120.200 -0.281 0.000 2.729 656 E HA -0.098 4.252 4.350 0.001 0.000 0.246 656 E C 0.502 177.193 176.600 0.153 0.000 0.984 656 E CA 0.606 56.992 56.400 -0.023 0.000 0.951 656 E CB 0.045 29.755 29.700 0.017 0.000 0.914 656 E HN 0.415 nan 8.360 nan 0.000 0.509 657 D N 1.795 122.336 120.400 0.236 0.000 2.876 657 D HA -0.177 4.463 4.640 0.001 0.000 0.196 657 D C 0.478 176.952 176.300 0.290 0.000 1.014 657 D CA 0.725 54.883 54.000 0.263 0.000 1.012 657 D CB -1.121 39.784 40.800 0.175 0.000 1.080 657 D HN 0.620 nan 8.370 nan 0.000 0.438 658 W N 1.328 122.664 121.300 0.060 0.000 2.465 658 W HA -0.056 4.605 4.660 0.001 0.000 0.268 658 W C 2.405 178.929 176.519 0.007 0.000 1.242 658 W CA 1.393 58.752 57.345 0.024 0.000 1.248 658 W CB -1.011 28.475 29.460 0.044 0.000 1.118 658 W HN 0.480 nan 8.180 nan 0.000 0.587 659 H N -1.628 117.560 119.070 0.197 0.000 2.491 659 H HA -0.003 4.554 4.556 0.001 0.000 0.290 659 H C 1.390 176.751 175.328 0.055 0.000 1.050 659 H CA 1.387 57.497 56.048 0.103 0.000 1.309 659 H CB -0.674 29.129 29.762 0.069 0.000 1.392 659 H HN 0.271 nan 8.280 nan 0.000 0.554 660 N N 1.080 119.443 118.700 -0.561 0.000 2.482 660 N HA -0.042 4.698 4.740 0.001 0.000 0.179 660 N C 0.192 175.577 175.510 -0.208 0.000 1.039 660 N CA 0.761 53.550 53.050 -0.436 0.000 0.884 660 N CB 0.687 38.847 38.487 -0.545 0.000 1.113 660 N HN 0.434 nan 8.380 nan 0.000 0.440 661 T N -0.387 114.074 114.554 -0.156 0.000 2.901 661 T HA 0.446 4.796 4.350 0.001 0.000 0.301 661 T C 0.597 175.212 174.700 -0.141 0.000 1.012 661 T CA -0.714 61.304 62.100 -0.136 0.000 1.135 661 T CB 1.630 70.409 68.868 -0.148 0.000 0.936 661 T HN 0.099 nan 8.240 nan 0.000 0.539 662 G N 0.699 109.422 108.800 -0.129 0.000 2.522 662 G HA2 0.642 4.602 3.960 0.001 0.000 0.304 662 G HA3 0.642 4.602 3.960 0.001 0.000 0.304 662 G C 0.659 175.476 174.900 -0.140 0.000 1.210 662 G CA -0.267 44.761 45.100 -0.120 0.000 0.960 662 G HN 1.567 nan 8.290 nan 0.000 0.497 663 G N -0.743 107.981 108.800 -0.126 0.000 2.552 663 G HA2 0.071 4.032 3.960 0.001 0.000 0.265 663 G HA3 0.071 4.032 3.960 0.001 0.000 0.265 663 G C 0.303 175.104 174.900 -0.166 0.000 1.234 663 G CA 0.515 45.540 45.100 -0.124 0.000 0.944 663 G HN 1.808 nan 8.290 nan 0.000 0.568 664 S N -0.805 114.810 115.700 -0.142 0.000 2.532 664 S HA 0.597 5.068 4.470 0.001 0.000 0.299 664 S C 0.617 175.099 174.600 -0.197 0.000 1.105 664 S CA 0.062 58.188 58.200 -0.124 0.000 1.018 664 S CB 1.703 64.933 63.200 0.050 0.000 1.021 664 S HN 0.517 nan 8.310 nan 0.000 0.483 665 E N 2.969 122.948 120.200 -0.368 0.000 2.385 665 E HA 0.059 4.409 4.350 0.001 0.000 0.194 665 E C 1.432 177.925 176.600 -0.179 0.000 1.013 665 E CA 0.665 56.836 56.400 -0.382 0.000 0.866 665 E CB 0.122 29.322 29.700 -0.834 0.000 0.832 665 E HN 0.839 nan 8.360 nan 0.000 0.500 666 I N -3.906 116.567 120.570 -0.161 0.000 4.035 666 I HA 0.403 4.573 4.170 0.001 0.000 0.321 666 I C 0.768 176.820 176.117 -0.108 0.000 1.289 666 I CA 0.342 61.567 61.300 -0.125 0.000 1.236 666 I CB 0.829 38.709 38.000 -0.201 0.000 1.076 666 I HN -0.077 nan 8.210 nan 0.000 0.418 667 G N 1.196 109.957 108.800 -0.066 0.000 2.907 667 G HA2 -0.008 3.953 3.960 0.001 0.000 0.686 667 G HA3 -0.008 3.953 3.960 0.001 0.000 0.686 667 G C -0.516 174.389 174.900 0.008 0.000 1.115 667 G CA -0.188 44.893 45.100 -0.032 0.000 0.760 667 G HN 0.369 nan 8.290 nan 0.000 0.620 668 T N 0.791 115.362 114.554 0.029 0.000 2.848 668 T HA 0.774 5.124 4.350 0.001 0.000 0.285 668 T C -0.088 174.630 174.700 0.030 0.000 0.995 668 T CA 0.135 62.266 62.100 0.052 0.000 0.970 668 T CB 1.001 69.900 68.868 0.052 0.000 0.976 668 T HN 1.862 nan 8.240 nan 0.000 0.441 669 N N 1.807 120.531 118.700 0.040 0.000 2.710 669 N HA 0.376 5.117 4.740 0.001 0.000 0.257 669 N C -0.291 175.264 175.510 0.076 0.000 1.327 669 N CA -1.048 52.031 53.050 0.049 0.000 0.861 669 N CB 1.014 39.526 38.487 0.042 0.000 1.532 669 N HN 0.404 nan 8.380 nan 0.000 0.499 670 R N -0.044 120.508 120.500 0.085 0.000 2.346 670 R HA 0.169 4.509 4.340 0.001 0.000 0.225 670 R C 0.031 176.404 176.300 0.122 0.000 0.987 670 R CA -0.067 56.098 56.100 0.110 0.000 1.106 670 R CB -0.467 29.897 30.300 0.108 0.000 1.090 670 R HN 0.714 nan 8.270 nan 0.000 0.502 671 S N 0.435 116.210 115.700 0.124 0.000 2.568 671 S HA 0.197 4.667 4.470 0.001 0.000 0.282 671 S C 0.224 174.935 174.600 0.185 0.000 1.338 671 S CA -0.436 57.845 58.200 0.134 0.000 1.045 671 S CB 0.929 64.208 63.200 0.132 0.000 0.873 671 S HN 0.139 nan 8.310 nan 0.000 0.516 672 L N 2.642 123.925 121.223 0.099 0.000 2.330 672 L HA 0.435 4.775 4.340 0.001 0.000 0.271 672 L C -1.368 175.371 176.870 -0.218 0.000 1.013 672 L CA -2.747 52.085 54.840 -0.014 0.000 0.816 672 L CB 2.060 44.098 42.059 -0.034 0.000 1.287 672 L HN 0.456 nan 8.230 nan 0.000 0.435 673 P HA -0.109 nan 4.420 nan 0.000 0.221 673 P C 1.313 178.386 177.300 -0.379 0.000 1.145 673 P CA 0.944 63.568 63.100 -0.793 0.000 0.795 673 P CB 0.302 31.265 31.700 -1.229 0.000 0.775 674 S N 0.555 116.091 115.700 -0.273 0.000 2.392 674 S HA -0.195 4.275 4.470 0.001 0.000 0.232 674 S C 1.426 175.970 174.600 -0.093 0.000 1.041 674 S CA 1.889 59.996 58.200 -0.154 0.000 1.026 674 S CB -1.119 62.022 63.200 -0.099 0.000 0.845 674 S HN 0.235 nan 8.310 nan 0.000 0.465 675 D N 0.777 121.134 120.400 -0.072 0.000 2.203 675 D HA -0.072 4.569 4.640 0.001 0.000 0.199 675 D C 0.526 176.813 176.300 -0.022 0.000 0.997 675 D CA 1.293 55.278 54.000 -0.026 0.000 0.863 675 D CB -0.059 40.745 40.800 0.006 0.000 0.928 675 D HN 0.292 nan 8.370 nan 0.000 0.458 676 D N -1.405 118.969 120.400 -0.043 0.000 2.349 676 D HA 0.007 4.647 4.640 0.001 0.000 0.224 676 D C 0.797 177.054 176.300 -0.072 0.000 1.323 676 D CA -0.255 53.726 54.000 -0.031 0.000 0.917 676 D CB 0.210 41.011 40.800 0.002 0.000 1.524 676 D HN -0.309 nan 8.370 nan 0.000 0.505 677 M N 0.889 120.417 119.600 -0.119 0.000 2.080 677 M HA -0.005 4.475 4.480 0.001 0.000 0.260 677 M C 2.102 178.197 176.300 -0.341 0.000 1.068 677 M CA 1.907 57.055 55.300 -0.253 0.000 1.109 677 M CB -1.117 31.322 32.600 -0.268 0.000 1.342 677 M HN 0.511 nan 8.290 nan 0.000 0.405 678 G N -0.471 108.210 108.800 -0.199 0.000 2.513 678 G HA2 -0.266 3.694 3.960 0.001 0.000 0.219 678 G HA3 -0.266 3.694 3.960 0.001 0.000 0.219 678 G C 1.498 176.375 174.900 -0.038 0.000 1.160 678 G CA 1.848 46.901 45.100 -0.079 0.000 0.767 678 G HN 0.450 nan 8.290 nan 0.000 0.571 679 T N 0.575 115.131 114.554 0.003 0.000 2.777 679 T HA -0.067 4.283 4.350 0.001 0.000 0.266 679 T C 2.568 177.424 174.700 0.260 0.000 1.040 679 T CA 1.118 63.269 62.100 0.085 0.000 1.141 679 T CB -0.232 68.689 68.868 0.087 0.000 0.868 679 T HN 0.081 nan 8.240 nan 0.000 0.444 680 V N 1.910 121.940 119.914 0.194 0.000 2.255 680 V HA -0.192 3.929 4.120 0.001 0.000 0.247 680 V C 2.933 179.169 176.094 0.236 0.000 1.051 680 V CA 1.814 64.280 62.300 0.277 0.000 1.018 680 V CB -1.264 30.587 31.823 0.046 0.000 0.641 680 V HN 0.529 nan 8.190 nan 0.000 0.445 681 A N -0.935 121.855 122.820 -0.049 0.000 1.933 681 A HA -0.276 4.044 4.320 0.001 0.000 0.218 681 A C 2.162 179.692 177.584 -0.089 0.000 1.175 681 A CA 2.145 53.935 52.037 -0.412 0.000 0.628 681 A CB -0.783 17.713 19.000 -0.840 0.000 0.814 681 A HN 0.700 nan 8.150 nan 0.000 0.444 682 Y N -0.985 119.254 120.300 -0.101 0.000 2.114 682 Y HA -0.267 4.283 4.550 0.001 0.000 0.284 682 Y C 2.134 177.993 175.900 -0.068 0.000 1.143 682 Y CA 2.083 60.102 58.100 -0.135 0.000 1.135 682 Y CB -0.536 37.779 38.460 -0.242 0.000 0.980 682 Y HN 0.335 nan 8.280 nan 0.000 0.499 683 Y N -0.940 119.542 120.300 0.304 0.000 2.293 683 Y HA -0.177 4.374 4.550 0.001 0.000 0.291 683 Y C 2.278 178.324 175.900 0.243 0.000 1.137 683 Y CA 1.685 59.974 58.100 0.314 0.000 1.202 683 Y CB -0.945 37.792 38.460 0.462 0.000 0.990 683 Y HN 0.179 nan 8.280 nan 0.000 0.537 684 F N -0.078 119.991 119.950 0.198 0.000 2.171 684 F HA -0.291 4.237 4.527 0.001 0.000 0.300 684 F C 2.645 178.338 175.800 -0.178 0.000 1.090 684 F CA 1.446 59.522 58.000 0.127 0.000 1.293 684 F CB -0.241 38.952 39.000 0.321 0.000 1.013 684 F HN 0.072 nan 8.300 nan 0.000 0.486 685 Q N 0.049 119.824 119.800 -0.042 0.000 2.079 685 Q HA -0.217 4.124 4.340 0.001 0.000 0.200 685 Q C 2.221 177.996 176.000 -0.375 0.000 0.974 685 Q CA 1.265 56.933 55.803 -0.226 0.000 0.840 685 Q CB -0.035 28.555 28.738 -0.246 0.000 0.898 685 Q HN 0.335 nan 8.270 nan 0.000 0.430 686 Q N -0.401 119.134 119.800 -0.442 0.000 2.020 686 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 686 Q C 1.718 177.352 176.000 -0.611 0.000 0.982 686 Q CA 1.547 57.025 55.803 -0.542 0.000 0.838 686 Q CB -0.301 28.090 28.738 -0.580 0.000 0.899 686 Q HN 0.580 nan 8.270 nan 0.000 0.423 687 Y N 0.667 120.584 120.300 -0.639 0.000 2.583 687 Y HA 0.009 4.560 4.550 0.001 0.000 0.293 687 Y C 0.352 175.683 175.900 -0.948 0.000 1.157 687 Y CA 0.156 57.685 58.100 -0.952 0.000 1.315 687 Y CB 0.101 37.672 38.460 -1.482 0.000 1.021 687 Y HN 0.066 nan 8.280 nan 0.000 0.536 688 K N 0.280 120.330 120.400 -0.584 0.000 3.257 688 K HA -0.211 4.110 4.320 0.001 0.000 0.270 688 K C -1.151 175.337 176.600 -0.187 0.000 0.984 688 K CA -0.035 56.039 56.287 -0.356 0.000 0.739 688 K CB -1.963 30.351 32.500 -0.310 0.000 1.351 688 K HN 0.100 nan 8.250 nan 0.000 0.463 689 F N 0.940 120.833 119.950 -0.094 0.000 2.495 689 F HA 0.036 4.563 4.527 0.001 0.000 0.365 689 F C 1.630 177.434 175.800 0.008 0.000 1.090 689 F CA -0.585 57.356 58.000 -0.098 0.000 1.235 689 F CB 0.484 39.301 39.000 -0.305 0.000 1.119 689 F HN 0.122 nan 8.300 nan 0.000 0.562 690 D N 1.416 121.955 120.400 0.230 0.000 2.398 690 D HA 0.233 4.873 4.640 0.001 0.000 0.210 690 D C 0.842 177.213 176.300 0.119 0.000 1.094 690 D CA 0.345 54.440 54.000 0.159 0.000 0.839 690 D CB 0.995 41.870 40.800 0.125 0.000 0.963 690 D HN 0.636 nan 8.370 nan 0.000 0.506 691 G N 0.818 109.680 108.800 0.103 0.000 2.667 691 G HA2 0.468 4.428 3.960 0.001 0.000 0.294 691 G HA3 0.468 4.428 3.960 0.001 0.000 0.294 691 G C -2.283 172.619 174.900 0.005 0.000 1.467 691 G CA -0.634 44.504 45.100 0.063 0.000 0.852 691 G HN 0.037 nan 8.290 nan 0.000 0.521 692 L N 0.879 122.125 121.223 0.038 0.000 2.464 692 L HA 0.809 5.150 4.340 0.001 0.000 0.266 692 L C -1.290 175.600 176.870 0.034 0.000 0.965 692 L CA -0.747 54.086 54.840 -0.011 0.000 0.833 692 L CB 1.875 43.984 42.059 0.084 0.000 1.296 692 L HN 0.506 nan 8.230 nan 0.000 0.405 693 I N 6.283 126.849 120.570 -0.007 0.000 2.382 693 I HA 0.402 4.572 4.170 0.001 0.000 0.285 693 I C -0.610 175.520 176.117 0.023 0.000 1.007 693 I CA -0.422 60.894 61.300 0.027 0.000 1.142 693 I CB 1.459 39.477 38.000 0.031 0.000 1.289 693 I HN 0.479 nan 8.210 nan 0.000 0.453 694 I N 7.349 127.948 120.570 0.049 0.000 2.282 694 I HA 0.331 4.502 4.170 0.001 0.000 0.290 694 I C -0.068 176.084 176.117 0.059 0.000 1.090 694 I CA -0.316 61.019 61.300 0.059 0.000 1.231 694 I CB 0.213 38.270 38.000 0.096 0.000 1.434 694 I HN 0.412 nan 8.210 nan 0.000 0.487 695 I N 5.775 126.391 120.570 0.076 0.000 2.352 695 I HA 0.688 4.858 4.170 0.001 0.000 0.290 695 I C 0.925 177.044 176.117 0.003 0.000 1.036 695 I CA 0.144 61.460 61.300 0.027 0.000 1.336 695 I CB 0.831 38.825 38.000 -0.009 0.000 1.407 695 I HN 0.771 nan 8.210 nan 0.000 0.497 696 G N 3.678 112.468 108.800 -0.017 0.000 2.344 696 G HA2 0.423 4.383 3.960 0.001 0.000 0.282 696 G HA3 0.423 4.383 3.960 0.001 0.000 0.282 696 G C -0.540 174.363 174.900 0.004 0.000 1.281 696 G CA -0.187 44.908 45.100 -0.009 0.000 0.877 696 G HN 0.755 nan 8.290 nan 0.000 0.494 697 G N -1.232 107.594 108.800 0.042 0.000 3.022 697 G HA2 0.454 4.415 3.960 0.001 0.000 0.157 697 G HA3 0.454 4.415 3.960 0.001 0.000 0.157 697 G C 0.847 175.836 174.900 0.149 0.000 1.468 697 G CA 0.417 45.560 45.100 0.072 0.000 1.058 697 G HN 0.641 nan 8.290 nan 0.000 0.581 698 F N 0.464 120.464 119.950 0.083 0.000 2.216 698 F HA 0.018 4.546 4.527 0.001 0.000 0.300 698 F C 2.688 178.640 175.800 0.254 0.000 1.085 698 F CA 1.705 59.810 58.000 0.175 0.000 1.326 698 F CB 0.282 39.354 39.000 0.119 0.000 1.027 698 F HN 0.325 nan 8.300 nan 0.000 0.497 699 E N -0.060 120.307 120.200 0.280 0.000 2.208 699 E HA -0.066 4.285 4.350 0.001 0.000 0.193 699 E C 2.209 178.892 176.600 0.138 0.000 0.988 699 E CA 0.965 57.487 56.400 0.203 0.000 0.828 699 E CB -0.415 29.399 29.700 0.190 0.000 0.763 699 E HN 0.403 nan 8.360 nan 0.000 0.478 700 A N 0.137 123.037 122.820 0.133 0.000 1.929 700 A HA -0.128 4.193 4.320 0.001 0.000 0.216 700 A C 2.013 179.656 177.584 0.100 0.000 1.176 700 A CA 0.987 53.095 52.037 0.118 0.000 0.628 700 A CB -0.660 18.396 19.000 0.095 0.000 0.816 700 A HN 0.367 nan 8.150 nan 0.000 0.444 701 F N 1.427 121.322 119.950 -0.091 0.000 2.113 701 F HA -0.119 4.409 4.527 0.001 0.000 0.297 701 F C 2.346 178.090 175.800 -0.093 0.000 1.103 701 F CA 2.256 60.164 58.000 -0.154 0.000 1.248 701 F CB -0.802 37.983 39.000 -0.359 0.000 0.999 701 F HN 0.181 nan 8.300 nan 0.000 0.475 702 T N 0.940 115.361 114.554 -0.221 0.000 2.708 702 T HA -0.177 4.173 4.350 0.001 0.000 0.266 702 T C 2.254 176.852 174.700 -0.171 0.000 1.037 702 T CA 1.640 63.645 62.100 -0.157 0.000 1.146 702 T CB -0.955 67.961 68.868 0.079 0.000 0.865 702 T HN 0.386 nan 8.240 nan 0.000 0.435 703 A N 1.541 124.300 122.820 -0.101 0.000 1.883 703 A HA -0.041 4.280 4.320 0.001 0.000 0.217 703 A C 2.319 179.775 177.584 -0.214 0.000 1.186 703 A CA 1.235 53.179 52.037 -0.155 0.000 0.624 703 A CB -0.994 18.043 19.000 0.062 0.000 0.822 703 A HN 0.455 nan 8.150 nan 0.000 0.444 704 L N -1.691 119.450 121.223 -0.137 0.000 2.013 704 L HA -0.232 4.108 4.340 0.001 0.000 0.212 704 L C 2.520 179.249 176.870 -0.235 0.000 1.073 704 L CA 2.651 57.409 54.840 -0.137 0.000 0.753 704 L CB -0.626 41.394 42.059 -0.065 0.000 0.890 704 L HN 0.674 nan 8.230 nan 0.000 0.432 705 Y N 0.874 120.891 120.300 -0.472 0.000 2.114 705 Y HA -0.292 4.259 4.550 0.001 0.000 0.284 705 Y C 2.556 178.127 175.900 -0.548 0.000 1.143 705 Y CA 2.059 59.798 58.100 -0.601 0.000 1.135 705 Y CB -0.115 37.711 38.460 -1.057 0.000 0.980 705 Y HN 0.240 nan 8.280 nan 0.000 0.499 706 E N 0.319 120.147 120.200 -0.619 0.000 2.058 706 E HA -0.254 4.097 4.350 0.001 0.000 0.194 706 E C 2.204 178.452 176.600 -0.588 0.000 0.997 706 E CA 1.784 57.819 56.400 -0.608 0.000 0.801 706 E CB -0.337 29.103 29.700 -0.434 0.000 0.746 706 E HN 0.528 nan 8.360 nan 0.000 0.450 707 L N 0.651 121.522 121.223 -0.588 0.000 2.046 707 L HA -0.206 4.135 4.340 0.001 0.000 0.208 707 L C 2.389 178.986 176.870 -0.453 0.000 1.077 707 L CA 1.379 55.795 54.840 -0.705 0.000 0.747 707 L CB -0.377 41.259 42.059 -0.705 0.000 0.896 707 L HN 0.155 nan 8.230 nan 0.000 0.432 708 D N 0.096 120.275 120.400 -0.369 0.000 2.097 708 D HA -0.202 4.439 4.640 0.001 0.000 0.195 708 D C 2.151 178.281 176.300 -0.283 0.000 0.989 708 D CA 1.426 55.272 54.000 -0.256 0.000 0.827 708 D CB 0.125 40.783 40.800 -0.237 0.000 0.966 708 D HN 0.244 nan 8.370 nan 0.000 0.456 709 A N 0.301 122.831 122.820 -0.484 0.000 1.933 709 A HA 0.070 4.390 4.320 0.001 0.000 0.218 709 A C 2.312 179.769 177.584 -0.211 0.000 1.175 709 A CA 1.852 53.630 52.037 -0.431 0.000 0.628 709 A CB -0.950 17.631 19.000 -0.698 0.000 0.814 709 A HN 0.345 nan 8.150 nan 0.000 0.444 710 A N -0.481 122.248 122.820 -0.151 0.000 2.168 710 A HA -0.044 4.277 4.320 0.001 0.000 0.215 710 A C 2.013 179.764 177.584 0.279 0.000 1.152 710 A CA 0.980 53.092 52.037 0.124 0.000 0.716 710 A CB -0.466 18.654 19.000 0.199 0.000 0.794 710 A HN 0.556 nan 8.150 nan 0.000 0.465 711 R N -0.278 120.317 120.500 0.159 0.000 2.154 711 R HA -0.217 4.123 4.340 0.001 0.000 0.248 711 R C 2.374 178.731 176.300 0.096 0.000 1.155 711 R CA 1.312 57.515 56.100 0.171 0.000 0.979 711 R CB -0.464 29.888 30.300 0.088 0.000 0.869 711 R HN 0.560 nan 8.270 nan 0.000 0.452 712 A N 1.012 123.846 122.820 0.023 0.000 1.835 712 A HA -0.242 4.078 4.320 0.001 0.000 0.215 712 A C 2.081 179.620 177.584 -0.076 0.000 1.199 712 A CA 1.469 53.485 52.037 -0.035 0.000 0.615 712 A CB -0.526 18.439 19.000 -0.059 0.000 0.838 712 A HN 0.246 nan 8.150 nan 0.000 0.444 713 Q N -1.535 118.183 119.800 -0.136 0.000 2.124 713 Q HA -0.077 4.263 4.340 0.001 0.000 0.202 713 Q C -0.438 175.204 176.000 -0.597 0.000 0.977 713 Q CA 1.235 56.794 55.803 -0.406 0.000 0.850 713 Q CB -0.195 28.200 28.738 -0.572 0.000 0.901 713 Q HN 0.793 nan 8.270 nan 0.000 0.429 714 Y N -0.614 119.680 120.300 -0.010 0.000 2.646 714 Y HA 0.283 4.834 4.550 0.001 0.000 0.334 714 Y C -1.808 174.028 175.900 -0.106 0.000 1.004 714 Y CA -2.680 55.338 58.100 -0.136 0.000 1.301 714 Y CB 1.171 39.385 38.460 -0.411 0.000 1.093 714 Y HN -0.006 nan 8.280 nan 0.000 0.530 715 P HA -0.261 nan 4.420 nan 0.000 0.218 715 P C 1.665 179.035 177.300 0.117 0.000 1.150 715 P CA 1.414 64.612 63.100 0.164 0.000 0.841 715 P CB 0.574 32.438 31.700 0.274 0.000 0.784 716 I N -1.692 118.873 120.570 -0.008 0.000 2.423 716 I HA -0.203 3.968 4.170 0.001 0.000 0.254 716 I C 1.684 177.875 176.117 0.124 0.000 1.151 716 I CA 1.281 62.572 61.300 -0.015 0.000 1.421 716 I CB -0.637 37.289 38.000 -0.122 0.000 1.079 716 I HN -0.224 nan 8.210 nan 0.000 0.431 717 F N -0.578 119.464 119.950 0.154 0.000 2.780 717 F HA 0.102 4.629 4.527 0.001 0.000 0.299 717 F C 1.445 177.317 175.800 0.121 0.000 1.146 717 F CA 0.018 58.088 58.000 0.117 0.000 1.428 717 F CB -1.307 37.696 39.000 0.005 0.000 1.115 717 F HN 0.062 nan 8.300 nan 0.000 0.583 718 N N 1.897 120.763 118.700 0.276 0.000 3.210 718 N HA 0.086 4.826 4.740 0.001 0.000 0.314 718 N C -0.356 175.264 175.510 0.184 0.000 1.291 718 N CA 0.045 53.215 53.050 0.200 0.000 1.202 718 N CB -0.836 37.758 38.487 0.177 0.000 1.475 718 N HN 0.320 nan 8.380 nan 0.000 0.554 719 I N -2.970 117.722 120.570 0.204 0.000 2.910 719 I HA 0.708 4.878 4.170 0.001 0.000 0.310 719 I C -2.532 173.660 176.117 0.125 0.000 1.043 719 I CA -2.973 58.433 61.300 0.177 0.000 1.053 719 I CB 1.798 39.939 38.000 0.236 0.000 1.242 719 I HN -0.124 nan 8.210 nan 0.000 0.452 720 P HA 0.351 nan 4.420 nan 0.000 0.271 720 P C -1.151 176.228 177.300 0.130 0.000 1.220 720 P CA 0.129 63.241 63.100 0.020 0.000 0.768 720 P CB 0.594 32.217 31.700 -0.128 0.000 0.848 721 M N 2.948 122.649 119.600 0.169 0.000 2.518 721 M HA 0.539 5.020 4.480 0.001 0.000 0.300 721 M C -0.647 175.743 176.300 0.151 0.000 1.175 721 M CA -0.519 54.875 55.300 0.155 0.000 0.890 721 M CB 2.220 34.889 32.600 0.116 0.000 1.710 721 M HN 0.471 nan 8.290 nan 0.000 0.453 722 C N -0.411 118.958 119.300 0.114 0.000 2.994 722 C HA 0.847 5.308 4.460 0.001 0.000 0.305 722 C C -0.794 174.221 174.990 0.041 0.000 1.251 722 C CA -1.328 57.722 59.018 0.052 0.000 1.478 722 C CB 0.998 28.757 27.740 0.032 0.000 1.922 722 C HN 1.097 nan 8.230 nan 0.000 0.472 723 C N 4.378 123.689 119.300 0.019 0.000 2.264 723 C HA 0.718 5.179 4.460 0.001 0.000 0.324 723 C C -0.282 174.706 174.990 -0.002 0.000 1.267 723 C CA -0.188 58.849 59.018 0.033 0.000 1.618 723 C CB -0.314 27.471 27.740 0.075 0.000 2.278 723 C HN 1.018 nan 8.230 nan 0.000 0.499 724 L N 9.741 130.963 121.223 -0.002 0.000 2.259 724 L HA 0.563 4.903 4.340 0.001 0.000 0.288 724 L C -2.332 174.514 176.870 -0.040 0.000 1.051 724 L CA -2.449 52.375 54.840 -0.027 0.000 0.824 724 L CB 0.658 42.710 42.059 -0.011 0.000 1.206 724 L HN 0.511 nan 8.230 nan 0.000 0.429 725 P HA 0.279 nan 4.420 nan 0.000 0.270 725 P C -1.275 175.949 177.300 -0.126 0.000 1.242 725 P CA 0.009 63.055 63.100 -0.089 0.000 0.768 725 P CB 0.707 32.335 31.700 -0.121 0.000 0.820 726 A N 2.779 125.529 122.820 -0.117 0.000 2.411 726 A HA 0.704 5.025 4.320 0.001 0.000 0.285 726 A C -0.494 177.011 177.584 -0.130 0.000 1.129 726 A CA -0.414 51.536 52.037 -0.145 0.000 0.736 726 A CB 1.108 20.027 19.000 -0.134 0.000 1.186 726 A HN 0.422 nan 8.150 nan 0.000 0.445 727 T N 1.138 115.590 114.554 -0.170 0.000 2.977 727 T HA 0.297 4.647 4.350 0.001 0.000 0.345 727 T C 0.362 174.957 174.700 -0.176 0.000 1.562 727 T CA 0.063 62.081 62.100 -0.137 0.000 1.090 727 T CB 1.210 70.025 68.868 -0.088 0.000 1.383 727 T HN 0.627 nan 8.240 nan 0.000 0.484 728 V N 3.071 122.904 119.914 -0.136 0.000 2.453 728 V HA -0.030 4.090 4.120 0.001 0.000 0.247 728 V C 2.554 178.574 176.094 -0.123 0.000 1.048 728 V CA 2.510 64.729 62.300 -0.135 0.000 1.049 728 V CB -0.315 31.438 31.823 -0.117 0.000 0.672 728 V HN 0.948 nan 8.190 nan 0.000 0.457 729 S N -0.496 115.137 115.700 -0.112 0.000 2.399 729 S HA -0.184 4.287 4.470 0.001 0.000 0.231 729 S C 1.166 175.682 174.600 -0.141 0.000 1.022 729 S CA 1.100 59.242 58.200 -0.098 0.000 0.983 729 S CB -0.552 62.602 63.200 -0.076 0.000 0.803 729 S HN 0.783 nan 8.310 nan 0.000 0.480 730 N N 1.180 119.743 118.700 -0.228 0.000 2.754 730 N HA -0.173 4.568 4.740 0.001 0.000 0.248 730 N C 0.087 175.419 175.510 -0.295 0.000 1.093 730 N CA 0.631 53.452 53.050 -0.381 0.000 0.699 730 N CB -0.987 37.047 38.487 -0.755 0.000 1.016 730 N HN 0.552 nan 8.380 nan 0.000 0.552 731 N N -0.876 117.731 118.700 -0.155 0.000 2.268 731 N HA 0.046 4.787 4.740 0.001 0.000 0.204 731 N C -0.424 175.096 175.510 0.017 0.000 1.124 731 N CA 0.085 53.095 53.050 -0.067 0.000 0.838 731 N CB 0.353 38.818 38.487 -0.038 0.000 0.994 731 N HN 0.084 nan 8.380 nan 0.000 0.489 732 V N 2.265 122.133 119.914 -0.077 0.000 2.432 732 V HA 0.340 4.460 4.120 0.001 0.000 0.275 732 V C -2.032 173.880 176.094 -0.303 0.000 1.043 732 V CA -1.458 60.737 62.300 -0.174 0.000 0.925 732 V CB 1.012 32.733 31.823 -0.170 0.000 0.985 732 V HN 0.088 nan 8.190 nan 0.000 0.466 733 P HA 0.357 nan 4.420 nan 0.000 0.272 733 P C 0.912 178.013 177.300 -0.331 0.000 1.223 733 P CA 0.734 63.575 63.100 -0.433 0.000 0.784 733 P CB 0.780 32.121 31.700 -0.598 0.000 0.923 734 G N -0.836 107.859 108.800 -0.174 0.000 2.175 734 G HA2 -0.168 3.793 3.960 0.001 0.000 0.244 734 G HA3 -0.168 3.793 3.960 0.001 0.000 0.244 734 G C 0.229 175.068 174.900 -0.101 0.000 0.982 734 G CA 0.304 45.342 45.100 -0.104 0.000 0.641 734 G HN 0.887 nan 8.290 nan 0.000 0.527 735 T N -1.369 113.116 114.554 -0.114 0.000 2.868 735 T HA 0.586 4.937 4.350 0.001 0.000 0.306 735 T C 0.500 175.148 174.700 -0.087 0.000 1.224 735 T CA 0.218 62.261 62.100 -0.095 0.000 1.012 735 T CB 1.706 70.508 68.868 -0.109 0.000 1.221 735 T HN 0.080 nan 8.240 nan 0.000 0.499 736 E N 0.903 121.076 120.200 -0.044 0.000 2.415 736 E HA 0.175 4.525 4.350 0.001 0.000 0.197 736 E C -0.823 175.761 176.600 -0.028 0.000 1.007 736 E CA 0.031 56.411 56.400 -0.033 0.000 0.890 736 E CB 0.697 30.410 29.700 0.022 0.000 0.891 736 E HN 0.513 nan 8.360 nan 0.000 0.496 737 Y N 0.890 121.097 120.300 -0.154 0.000 2.373 737 Y HA 0.232 4.783 4.550 0.001 0.000 0.336 737 Y C -1.043 174.764 175.900 -0.155 0.000 0.979 737 Y CA -1.067 56.934 58.100 -0.165 0.000 1.080 737 Y CB 1.508 39.893 38.460 -0.124 0.000 1.190 737 Y HN -0.181 nan 8.280 nan 0.000 0.446 738 S N 6.150 121.327 115.700 -0.871 0.000 2.454 738 S HA 0.582 5.053 4.470 0.001 0.000 0.306 738 S C -0.877 173.179 174.600 -0.907 0.000 1.100 738 S CA -0.919 56.893 58.200 -0.647 0.000 1.087 738 S CB 1.152 64.095 63.200 -0.430 0.000 1.019 738 S HN 0.726 nan 8.310 nan 0.000 0.480 739 L N 3.010 123.959 121.223 -0.457 0.000 2.525 739 L HA 0.387 4.728 4.340 0.001 0.000 0.278 739 L C 1.612 178.339 176.870 -0.238 0.000 1.218 739 L CA 1.087 55.781 54.840 -0.243 0.000 0.878 739 L CB -0.104 41.900 42.059 -0.091 0.000 1.127 739 L HN 1.234 nan 8.230 nan 0.000 0.492 740 G N 1.157 109.868 108.800 -0.147 0.000 2.234 740 G HA2 -0.353 3.608 3.960 0.001 0.000 0.235 740 G HA3 -0.353 3.608 3.960 0.001 0.000 0.235 740 G C 1.098 175.916 174.900 -0.137 0.000 0.997 740 G CA 0.630 45.657 45.100 -0.123 0.000 0.623 740 G HN 0.738 nan 8.290 nan 0.000 0.514 741 S N 0.348 115.912 115.700 -0.226 0.000 2.371 741 S HA -0.029 4.441 4.470 0.001 0.000 0.224 741 S C 1.686 176.239 174.600 -0.078 0.000 1.029 741 S CA 1.938 60.031 58.200 -0.180 0.000 0.978 741 S CB -0.179 62.857 63.200 -0.273 0.000 0.833 741 S HN 0.440 nan 8.310 nan 0.000 0.466 742 D N 0.954 121.389 120.400 0.058 0.000 2.144 742 D HA -0.050 4.591 4.640 0.001 0.000 0.200 742 D C 1.895 178.172 176.300 -0.039 0.000 0.978 742 D CA 1.650 55.654 54.000 0.007 0.000 0.833 742 D CB -0.399 40.426 40.800 0.041 0.000 0.961 742 D HN 0.452 nan 8.370 nan 0.000 0.470 743 T N -0.829 113.711 114.554 -0.024 0.000 2.684 743 T HA -0.230 4.120 4.350 0.001 0.000 0.267 743 T C 2.151 176.817 174.700 -0.057 0.000 1.036 743 T CA 1.312 63.391 62.100 -0.035 0.000 1.148 743 T CB -0.818 68.027 68.868 -0.038 0.000 0.863 743 T HN 0.381 nan 8.240 nan 0.000 0.436 744 C N 1.431 120.682 119.300 -0.081 0.000 2.413 744 C HA -0.034 4.426 4.460 0.001 0.000 0.276 744 C C 2.527 177.452 174.990 -0.110 0.000 1.236 744 C CA 0.443 59.402 59.018 -0.099 0.000 1.735 744 C CB -1.491 26.179 27.740 -0.117 0.000 2.031 744 C HN 0.364 nan 8.230 nan 0.000 0.474 745 L N 1.694 122.827 121.223 -0.150 0.000 2.083 745 L HA -0.090 4.251 4.340 0.001 0.000 0.209 745 L C 2.396 179.215 176.870 -0.085 0.000 1.083 745 L CA 1.767 56.500 54.840 -0.179 0.000 0.752 745 L CB -1.747 40.087 42.059 -0.376 0.000 0.899 745 L HN 0.508 nan 8.230 nan 0.000 0.433 746 N N -0.806 117.860 118.700 -0.056 0.000 2.142 746 N HA -0.132 4.608 4.740 0.001 0.000 0.186 746 N C 1.681 177.192 175.510 0.001 0.000 1.023 746 N CA 1.759 54.803 53.050 -0.010 0.000 0.852 746 N CB -0.056 38.431 38.487 0.001 0.000 0.998 746 N HN 0.331 nan 8.380 nan 0.000 0.424 747 T N 2.092 116.639 114.554 -0.012 0.000 2.746 747 T HA 0.001 4.351 4.350 0.001 0.000 0.267 747 T C 2.184 176.904 174.700 0.033 0.000 1.039 747 T CA 0.649 62.754 62.100 0.008 0.000 1.142 747 T CB -0.109 68.748 68.868 -0.018 0.000 0.866 747 T HN 0.132 nan 8.240 nan 0.000 0.444 748 L N 1.245 122.461 121.223 -0.012 0.000 2.044 748 L HA -0.089 4.252 4.340 0.001 0.000 0.205 748 L C 2.954 179.859 176.870 0.057 0.000 1.075 748 L CA 1.318 56.155 54.840 -0.006 0.000 0.747 748 L CB -0.738 41.283 42.059 -0.064 0.000 0.903 748 L HN 0.332 nan 8.230 nan 0.000 0.435 749 S N 0.175 115.896 115.700 0.035 0.000 2.359 749 S HA -0.165 4.306 4.470 0.001 0.000 0.224 749 S C 2.092 176.723 174.600 0.051 0.000 1.035 749 S CA 1.155 59.381 58.200 0.043 0.000 1.018 749 S CB -1.358 61.865 63.200 0.037 0.000 0.876 749 S HN 0.482 nan 8.310 nan 0.000 0.448 750 G N 0.330 109.163 108.800 0.055 0.000 2.421 750 G HA2 -0.223 3.738 3.960 0.001 0.000 0.216 750 G HA3 -0.223 3.738 3.960 0.001 0.000 0.216 750 G C 1.279 176.213 174.900 0.056 0.000 1.171 750 G CA 0.899 46.026 45.100 0.045 0.000 0.775 750 G HN 0.537 nan 8.290 nan 0.000 0.543 751 Y N 0.956 121.235 120.300 -0.035 0.000 2.128 751 Y HA -0.214 4.337 4.550 0.001 0.000 0.284 751 Y C 2.882 178.742 175.900 -0.066 0.000 1.154 751 Y CA 1.582 59.655 58.100 -0.046 0.000 1.149 751 Y CB -0.467 37.971 38.460 -0.038 0.000 0.976 751 Y HN 0.252 nan 8.280 nan 0.000 0.505 752 C N 0.380 119.792 119.300 0.187 0.000 2.432 752 C HA -0.129 4.331 4.460 0.001 0.000 0.280 752 C C 2.224 177.195 174.990 -0.032 0.000 1.353 752 C CA 0.940 60.003 59.018 0.075 0.000 1.766 752 C CB -1.026 26.767 27.740 0.088 0.000 1.924 752 C HN 0.573 nan 8.230 nan 0.000 0.509 753 D N 1.315 121.698 120.400 -0.030 0.000 2.144 753 D HA -0.053 4.588 4.640 0.001 0.000 0.200 753 D C 2.272 178.515 176.300 -0.095 0.000 0.978 753 D CA 1.602 55.573 54.000 -0.048 0.000 0.833 753 D CB -0.414 40.369 40.800 -0.028 0.000 0.961 753 D HN 0.502 nan 8.370 nan 0.000 0.470 754 A N 0.355 123.087 122.820 -0.147 0.000 1.968 754 A HA -0.055 4.266 4.320 0.001 0.000 0.217 754 A C 2.434 179.850 177.584 -0.280 0.000 1.169 754 A CA 0.687 52.601 52.037 -0.205 0.000 0.638 754 A CB -0.463 18.375 19.000 -0.270 0.000 0.812 754 A HN 0.118 nan 8.150 nan 0.000 0.446 755 V N 0.318 120.025 119.914 -0.344 0.000 2.244 755 V HA -0.257 3.864 4.120 0.001 0.000 0.244 755 V C 2.413 178.251 176.094 -0.426 0.000 1.042 755 V CA 2.306 64.279 62.300 -0.545 0.000 1.006 755 V CB -0.625 30.917 31.823 -0.469 0.000 0.641 755 V HN 0.524 nan 8.190 nan 0.000 0.446 756 K N 0.136 120.420 120.400 -0.194 0.000 2.209 756 K HA -0.267 4.054 4.320 0.001 0.000 0.204 756 K C 2.210 178.784 176.600 -0.042 0.000 1.048 756 K CA 1.769 58.018 56.287 -0.064 0.000 0.940 756 K CB -0.166 32.321 32.500 -0.022 0.000 0.729 756 K HN 0.692 nan 8.250 nan 0.000 0.451 757 Q N 0.746 120.501 119.800 -0.075 0.000 2.123 757 Q HA -0.095 4.245 4.340 0.001 0.000 0.199 757 Q C 1.715 177.698 176.000 -0.028 0.000 0.966 757 Q CA 2.138 57.914 55.803 -0.045 0.000 0.845 757 Q CB -0.287 28.420 28.738 -0.053 0.000 0.907 757 Q HN 0.158 nan 8.270 nan 0.000 0.439 758 S N -0.552 115.107 115.700 -0.068 0.000 2.522 758 S HA 0.257 4.728 4.470 0.001 0.000 0.227 758 S C 1.618 176.286 174.600 0.113 0.000 0.986 758 S CA 0.181 58.374 58.200 -0.011 0.000 0.929 758 S CB -0.010 63.148 63.200 -0.070 0.000 0.769 758 S HN 0.519 nan 8.310 nan 0.000 0.529 759 A N 0.785 123.683 122.820 0.130 0.000 2.370 759 A HA 0.619 4.939 4.320 0.001 0.000 0.238 759 A C 0.744 178.437 177.584 0.183 0.000 1.289 759 A CA -0.457 51.751 52.037 0.285 0.000 0.885 759 A CB -0.094 19.121 19.000 0.357 0.000 0.961 759 A HN 0.390 nan 8.150 nan 0.000 0.499 763 R N 1.718 122.252 120.500 0.056 0.000 1.904 763 R HA 0.710 5.050 4.340 0.001 0.000 0.178 763 R C 0.761 177.094 176.300 0.056 0.000 1.718 763 R CA 1.531 57.668 56.100 0.062 0.000 1.331 763 R CB -0.078 30.273 30.300 0.085 0.000 1.089 763 R HN 0.584 nan 8.270 nan 0.000 0.479 764 R N 0.054 120.611 120.500 0.095 0.000 2.739 764 R HA 0.598 4.939 4.340 0.001 0.000 0.271 764 R C -0.003 176.371 176.300 0.125 0.000 1.010 764 R CA -0.144 55.983 56.100 0.044 0.000 0.897 764 R CB 0.654 30.934 30.300 -0.034 0.000 1.236 764 R HN 0.371 nan 8.270 nan 0.000 0.466 765 R N -0.592 119.941 120.500 0.056 0.000 2.196 765 R HA 0.241 4.581 4.340 0.001 0.000 0.186 765 R C -0.039 176.390 176.300 0.214 0.000 1.163 765 R CA 0.983 57.191 56.100 0.180 0.000 1.146 765 R CB 0.966 31.343 30.300 0.128 0.000 1.113 765 R HN 0.648 nan 8.270 nan 0.000 0.513 766 T N 0.876 115.423 114.554 -0.013 0.000 2.867 766 T HA 0.481 4.832 4.350 0.001 0.000 0.282 766 T C -0.914 173.700 174.700 -0.143 0.000 1.000 766 T CA -0.177 61.921 62.100 -0.002 0.000 1.042 766 T CB 1.295 70.027 68.868 -0.226 0.000 0.973 766 T HN -0.076 nan 8.240 nan 0.000 0.465 767 F N 1.121 121.109 119.950 0.063 0.000 2.529 767 F HA 0.496 5.024 4.527 0.001 0.000 0.320 767 F C -0.286 175.572 175.800 0.097 0.000 1.118 767 F CA -1.032 57.009 58.000 0.068 0.000 0.915 767 F CB 1.864 40.924 39.000 0.099 0.000 1.161 767 F HN 0.202 nan 8.300 nan 0.000 0.445 768 V N 4.886 124.921 119.914 0.202 0.000 2.277 768 V HA 0.262 4.382 4.120 0.001 0.000 0.269 768 V C -0.293 175.935 176.094 0.223 0.000 1.036 768 V CA -0.738 61.674 62.300 0.188 0.000 0.821 768 V CB 0.747 32.584 31.823 0.023 0.000 1.052 768 V HN 0.463 nan 8.190 nan 0.000 0.462 769 V N 4.402 124.473 119.914 0.261 0.000 2.432 769 V HA 0.217 4.338 4.120 0.001 0.000 0.271 769 V C 0.553 176.735 176.094 0.147 0.000 1.046 769 V CA -0.244 62.173 62.300 0.196 0.000 0.945 769 V CB 1.344 33.278 31.823 0.184 0.000 0.992 769 V HN 0.910 nan 8.190 nan 0.000 0.471 770 E N 4.517 124.766 120.200 0.082 0.000 2.130 770 E HA 0.369 4.720 4.350 0.001 0.000 0.284 770 E C -1.188 175.407 176.600 -0.009 0.000 1.018 770 E CA -0.421 56.020 56.400 0.068 0.000 0.817 770 E CB 1.539 31.260 29.700 0.035 0.000 1.078 770 E HN 0.481 nan 8.360 nan 0.000 0.396 771 V N 5.393 125.310 119.914 0.005 0.000 2.394 771 V HA 0.111 4.232 4.120 0.001 0.000 0.282 771 V C -0.123 175.927 176.094 -0.072 0.000 1.031 771 V CA -0.403 61.863 62.300 -0.057 0.000 0.881 771 V CB 1.493 33.287 31.823 -0.047 0.000 0.982 771 V HN 0.729 nan 8.190 nan 0.000 0.451 772 Q N 3.621 123.351 119.800 -0.117 0.000 2.673 772 Q HA 0.392 4.733 4.340 0.001 0.000 0.224 772 Q C 0.807 176.730 176.000 -0.129 0.000 1.226 772 Q CA -0.107 55.617 55.803 -0.132 0.000 1.019 772 Q CB 1.055 29.682 28.738 -0.185 0.000 1.312 772 Q HN 0.931 nan 8.270 nan 0.000 0.566 773 G N 1.058 109.792 108.800 -0.110 0.000 4.044 773 G HA2 0.452 4.413 3.960 0.001 0.000 0.297 773 G HA3 0.452 4.413 3.960 0.001 0.000 0.297 773 G C 0.647 175.494 174.900 -0.087 0.000 1.101 773 G CA 0.137 45.178 45.100 -0.099 0.000 0.884 773 G HN 0.779 nan 8.290 nan 0.000 0.538 774 G N 0.387 109.128 108.800 -0.099 0.000 2.527 774 G HA2 -0.353 3.607 3.960 0.001 0.000 0.268 774 G HA3 -0.353 3.607 3.960 0.001 0.000 0.268 774 G C 0.453 175.268 174.900 -0.141 0.000 1.175 774 G CA 0.360 45.408 45.100 -0.086 0.000 0.962 774 G HN 0.308 nan 8.290 nan 0.000 0.560 775 Y N 1.503 121.779 120.300 -0.040 0.000 2.485 775 Y HA 0.582 5.132 4.550 0.001 0.000 0.260 775 Y C 1.655 177.564 175.900 0.015 0.000 1.173 775 Y CA 0.776 58.870 58.100 -0.010 0.000 1.252 775 Y CB 0.687 39.144 38.460 -0.005 0.000 1.123 775 Y HN 0.546 nan 8.280 nan 0.000 0.524 776 S N -0.662 115.106 115.700 0.113 0.000 2.475 776 S HA 0.486 4.956 4.470 0.001 0.000 0.298 776 S C 1.156 175.782 174.600 0.044 0.000 1.119 776 S CA -0.318 57.956 58.200 0.123 0.000 1.085 776 S CB 1.213 64.423 63.200 0.016 0.000 1.028 776 S HN 0.419 nan 8.310 nan 0.000 0.489 777 G N 2.773 111.696 108.800 0.204 0.000 2.920 777 G HA2 -0.002 3.959 3.960 0.001 0.000 0.208 777 G HA3 -0.002 3.959 3.960 0.001 0.000 0.208 777 G C 0.763 175.503 174.900 -0.267 0.000 1.159 777 G CA 0.089 45.266 45.100 0.129 0.000 0.784 777 G HN 0.853 nan 8.290 nan 0.000 0.535 778 Y N 0.771 120.435 120.300 -1.060 0.000 2.070 778 Y HA -0.164 4.386 4.550 0.001 0.000 0.280 778 Y C 2.390 177.978 175.900 -0.520 0.000 1.148 778 Y CA 1.545 58.865 58.100 -1.299 0.000 1.125 778 Y CB -0.205 37.535 38.460 -1.201 0.000 0.975 778 Y HN 0.115 nan 8.280 nan 0.000 0.492 779 L N -0.140 120.908 121.223 -0.293 0.000 1.971 779 L HA -0.311 4.029 4.340 0.001 0.000 0.215 779 L C 2.713 179.445 176.870 -0.231 0.000 1.072 779 L CA 1.834 56.523 54.840 -0.251 0.000 0.758 779 L CB -1.107 40.878 42.059 -0.123 0.000 0.889 779 L HN 0.507 nan 8.230 nan 0.000 0.433 780 A N -0.970 121.754 122.820 -0.161 0.000 1.883 780 A HA -0.233 4.087 4.320 0.001 0.000 0.217 780 A C 2.400 179.929 177.584 -0.092 0.000 1.186 780 A CA 2.254 54.235 52.037 -0.093 0.000 0.624 780 A CB -0.759 18.211 19.000 -0.051 0.000 0.822 780 A HN 0.516 nan 8.150 nan 0.000 0.444 781 S N -1.683 113.943 115.700 -0.124 0.000 2.348 781 S HA -0.174 4.297 4.470 0.001 0.000 0.221 781 S C 1.895 176.427 174.600 -0.114 0.000 1.033 781 S CA 1.565 59.719 58.200 -0.077 0.000 1.010 781 S CB -0.622 62.589 63.200 0.018 0.000 0.891 781 S HN 0.621 nan 8.310 nan 0.000 0.442 782 Y N 2.357 122.422 120.300 -0.392 0.000 2.097 782 Y HA -0.210 4.341 4.550 0.001 0.000 0.282 782 Y C 2.603 178.378 175.900 -0.208 0.000 1.152 782 Y CA 0.952 58.830 58.100 -0.369 0.000 1.136 782 Y CB -1.092 36.974 38.460 -0.656 0.000 0.975 782 Y HN 0.217 nan 8.280 nan 0.000 0.498 783 A N -0.184 122.666 122.820 0.052 0.000 1.917 783 A HA -0.202 4.119 4.320 0.001 0.000 0.219 783 A C 2.562 180.158 177.584 0.021 0.000 1.182 783 A CA 2.050 54.102 52.037 0.026 0.000 0.633 783 A CB -1.712 17.268 19.000 -0.033 0.000 0.819 783 A HN 0.588 nan 8.150 nan 0.000 0.448 784 G N -0.204 108.590 108.800 -0.011 0.000 2.459 784 G HA2 -0.208 3.752 3.960 0.001 0.000 0.217 784 G HA3 -0.208 3.752 3.960 0.001 0.000 0.217 784 G C 1.558 176.436 174.900 -0.037 0.000 1.183 784 G CA 1.237 46.320 45.100 -0.029 0.000 0.776 784 G HN 0.577 nan 8.290 nan 0.000 0.552 785 L N 1.314 122.510 121.223 -0.046 0.000 1.990 785 L HA -0.097 4.243 4.340 0.001 0.000 0.213 785 L C 2.742 179.590 176.870 -0.036 0.000 1.072 785 L CA 2.258 57.061 54.840 -0.063 0.000 0.755 785 L CB -0.372 41.629 42.059 -0.097 0.000 0.889 785 L HN 0.473 nan 8.230 nan 0.000 0.432 786 I N -3.130 117.454 120.570 0.023 0.000 2.830 786 I HA -0.091 4.079 4.170 0.001 0.000 0.263 786 I C 1.777 177.906 176.117 0.021 0.000 1.230 786 I CA 1.426 62.757 61.300 0.051 0.000 1.480 786 I CB -0.855 37.239 38.000 0.158 0.000 1.095 786 I HN 0.443 nan 8.210 nan 0.000 0.455 787 T N -2.690 111.869 114.554 0.009 0.000 3.023 787 T HA 0.408 4.759 4.350 0.001 0.000 0.253 787 T C 1.477 176.167 174.700 -0.017 0.000 1.038 787 T CA 0.275 62.378 62.100 0.005 0.000 0.962 787 T CB 0.124 69.007 68.868 0.025 0.000 1.018 787 T HN 0.702 nan 8.240 nan 0.000 0.521 788 G N 1.758 110.534 108.800 -0.040 0.000 2.272 788 G HA2 0.025 3.985 3.960 0.001 0.000 0.280 788 G HA3 0.025 3.985 3.960 0.001 0.000 0.280 788 G C 0.223 175.093 174.900 -0.050 0.000 1.067 788 G CA -0.132 44.930 45.100 -0.064 0.000 0.902 788 G HN 1.184 nan 8.290 nan 0.000 0.500 789 A N -0.605 122.186 122.820 -0.047 0.000 2.425 789 A HA 0.702 5.022 4.320 0.001 0.000 0.249 789 A C 1.541 179.039 177.584 -0.143 0.000 1.084 789 A CA 0.337 52.340 52.037 -0.057 0.000 0.781 789 A CB 0.431 19.406 19.000 -0.041 0.000 1.019 789 A HN 0.705 nan 8.150 nan 0.000 0.490 790 L N 1.327 122.414 121.223 -0.228 0.000 1.973 790 L HA -0.007 4.333 4.340 0.001 0.000 0.208 790 L C 1.503 178.079 176.870 -0.490 0.000 1.073 790 L CA 1.665 56.299 54.840 -0.344 0.000 0.746 790 L CB -0.286 41.514 42.059 -0.430 0.000 0.891 790 L HN 0.815 nan 8.230 nan 0.000 0.433 791 A N -0.964 121.355 122.820 -0.836 0.000 2.355 791 A HA 0.630 4.950 4.320 0.001 0.000 0.324 791 A C -1.137 176.146 177.584 -0.503 0.000 1.117 791 A CA -0.350 51.255 52.037 -0.721 0.000 0.785 791 A CB 1.804 20.252 19.000 -0.920 0.000 1.254 791 A HN -0.069 nan 8.150 nan 0.000 0.453 792 V N 2.259 121.903 119.914 -0.450 0.000 2.483 792 V HA 0.322 4.443 4.120 0.001 0.000 0.297 792 V C -1.497 174.378 176.094 -0.365 0.000 1.027 792 V CA -0.342 61.800 62.300 -0.264 0.000 0.855 792 V CB 1.010 32.751 31.823 -0.137 0.000 0.995 792 V HN 0.762 nan 8.190 nan 0.000 0.424 793 Y N 3.139 123.404 120.300 -0.059 0.000 2.341 793 Y HA 0.612 5.162 4.550 0.001 0.000 0.340 793 Y C 0.898 176.683 175.900 -0.190 0.000 0.997 793 Y CA -0.436 57.572 58.100 -0.153 0.000 1.149 793 Y CB 1.690 39.965 38.460 -0.308 0.000 1.171 793 Y HN 0.723 nan 8.280 nan 0.000 0.494 794 T N 0.443 115.003 114.554 0.010 0.000 2.903 794 T HA 0.340 4.690 4.350 0.001 0.000 0.299 794 T C -2.361 172.367 174.700 0.047 0.000 1.093 794 T CA -2.430 59.686 62.100 0.026 0.000 1.002 794 T CB 2.398 71.317 68.868 0.086 0.000 1.127 794 T HN 0.216 nan 8.240 nan 0.000 0.488 795 P HA -0.036 nan 4.420 nan 0.000 0.220 795 P C 0.885 178.222 177.300 0.062 0.000 1.148 795 P CA 1.063 64.205 63.100 0.070 0.000 0.803 795 P CB 0.213 31.974 31.700 0.102 0.000 0.782 796 E N -0.062 120.190 120.200 0.086 0.000 2.150 796 E HA -0.087 4.263 4.350 0.001 0.000 0.193 796 E C 0.208 176.824 176.600 0.027 0.000 0.985 796 E CA 0.881 57.317 56.400 0.060 0.000 0.814 796 E CB -0.610 29.150 29.700 0.100 0.000 0.752 796 E HN 0.412 nan 8.360 nan 0.000 0.466 797 N N 0.687 119.405 118.700 0.030 0.000 2.392 797 N HA 0.287 5.027 4.740 0.001 0.000 0.283 797 N C -2.742 172.781 175.510 0.020 0.000 1.003 797 N CA -1.647 51.407 53.050 0.007 0.000 0.892 797 N CB 1.554 40.032 38.487 -0.015 0.000 1.193 797 N HN -0.175 nan 8.380 nan 0.000 0.487 798 P HA 0.179 nan 4.420 nan 0.000 0.268 798 P C -0.710 176.609 177.300 0.031 0.000 1.205 798 P CA 0.051 63.169 63.100 0.031 0.000 0.771 798 P CB 0.620 32.332 31.700 0.021 0.000 0.858 799 I N 2.966 123.568 120.570 0.052 0.000 2.389 799 I HA 0.436 4.606 4.170 0.001 0.000 0.288 799 I C 0.378 176.391 176.117 -0.173 0.000 0.999 799 I CA -0.325 60.962 61.300 -0.022 0.000 1.129 799 I CB 1.238 39.289 38.000 0.085 0.000 1.288 799 I HN 0.461 nan 8.210 nan 0.000 0.444 800 N N 4.518 123.019 118.700 -0.332 0.000 3.039 800 N HA 0.435 5.176 4.740 0.001 0.000 0.257 800 N C 0.078 175.408 175.510 -0.299 0.000 1.497 800 N CA -0.998 51.883 53.050 -0.281 0.000 0.861 800 N CB 0.957 39.436 38.487 -0.014 0.000 1.479 800 N HN 0.327 nan 8.380 nan 0.000 0.547 801 L N -1.267 119.919 121.223 -0.061 0.000 2.081 801 L HA -0.187 4.154 4.340 0.001 0.000 0.212 801 L C 2.449 179.312 176.870 -0.011 0.000 1.080 801 L CA 1.653 56.496 54.840 0.005 0.000 0.754 801 L CB -0.494 41.612 42.059 0.080 0.000 0.893 801 L HN 0.727 nan 8.230 nan 0.000 0.433 802 Q N 0.147 119.939 119.800 -0.013 0.000 2.020 802 Q HA -0.168 4.173 4.340 0.001 0.000 0.198 802 Q C 2.269 178.261 176.000 -0.014 0.000 0.974 802 Q CA 2.604 58.404 55.803 -0.005 0.000 0.829 802 Q CB -0.462 28.275 28.738 -0.001 0.000 0.894 802 Q HN 0.555 nan 8.270 nan 0.000 0.433 803 T N -2.122 112.410 114.554 -0.036 0.000 2.720 803 T HA -0.137 4.214 4.350 0.001 0.000 0.268 803 T C 1.865 176.571 174.700 0.010 0.000 1.037 803 T CA 1.650 63.735 62.100 -0.026 0.000 1.144 803 T CB -0.918 67.928 68.868 -0.036 0.000 0.864 803 T HN 0.077 nan 8.240 nan 0.000 0.444 804 V N 1.926 121.828 119.914 -0.019 0.000 2.295 804 V HA -0.218 3.903 4.120 0.001 0.000 0.246 804 V C 3.026 179.168 176.094 0.081 0.000 1.049 804 V CA 2.208 64.535 62.300 0.045 0.000 1.024 804 V CB -0.957 30.832 31.823 -0.056 0.000 0.648 804 V HN 0.538 nan 8.190 nan 0.000 0.447 805 Q N -0.506 119.322 119.800 0.047 0.000 2.096 805 Q HA -0.262 4.079 4.340 0.001 0.000 0.204 805 Q C 2.324 178.363 176.000 0.064 0.000 0.982 805 Q CA 2.026 57.863 55.803 0.057 0.000 0.850 805 Q CB -0.157 28.604 28.738 0.039 0.000 0.901 805 Q HN 0.706 nan 8.270 nan 0.000 0.422 806 E N 0.349 120.577 120.200 0.047 0.000 2.051 806 E HA -0.189 4.162 4.350 0.001 0.000 0.192 806 E C 1.689 178.323 176.600 0.057 0.000 0.991 806 E CA 1.193 57.614 56.400 0.035 0.000 0.799 806 E CB 0.030 29.735 29.700 0.007 0.000 0.748 806 E HN 0.358 nan 8.360 nan 0.000 0.449 807 D N 0.805 121.260 120.400 0.091 0.000 2.104 807 D HA -0.174 4.466 4.640 0.001 0.000 0.194 807 D C 2.005 178.450 176.300 0.241 0.000 0.994 807 D CA 0.916 55.013 54.000 0.161 0.000 0.830 807 D CB -0.141 40.855 40.800 0.326 0.000 0.959 807 D HN 0.147 nan 8.370 nan 0.000 0.452 808 I N 1.306 122.002 120.570 0.210 0.000 2.179 808 I HA -0.207 3.964 4.170 0.001 0.000 0.242 808 I C 2.474 178.696 176.117 0.175 0.000 1.088 808 I CA 0.975 62.392 61.300 0.194 0.000 1.357 808 I CB -1.084 37.013 38.000 0.161 0.000 1.051 808 I HN 0.130 nan 8.210 nan 0.000 0.409 809 E N 1.008 121.283 120.200 0.125 0.000 2.058 809 E HA -0.274 4.077 4.350 0.001 0.000 0.194 809 E C 2.306 178.963 176.600 0.095 0.000 0.997 809 E CA 1.372 57.831 56.400 0.098 0.000 0.801 809 E CB -0.065 29.671 29.700 0.060 0.000 0.746 809 E HN 0.284 nan 8.360 nan 0.000 0.450 810 L N 0.908 122.178 121.223 0.079 0.000 1.994 810 L HA -0.160 4.180 4.340 0.001 0.000 0.208 810 L C 2.387 179.319 176.870 0.103 0.000 1.071 810 L CA 1.604 56.476 54.840 0.053 0.000 0.745 810 L CB -0.852 41.209 42.059 0.003 0.000 0.892 810 L HN 0.306 nan 8.230 nan 0.000 0.431 811 L N -0.853 120.465 121.223 0.159 0.000 2.012 811 L HA -0.213 4.127 4.340 0.001 0.000 0.210 811 L C 2.321 179.335 176.870 0.240 0.000 1.073 811 L CA 2.563 57.520 54.840 0.196 0.000 0.748 811 L CB -1.066 41.079 42.059 0.144 0.000 0.891 811 L HN 0.400 nan 8.230 nan 0.000 0.431 812 T N -0.674 114.032 114.554 0.253 0.000 2.643 812 T HA -0.235 4.115 4.350 0.001 0.000 0.264 812 T C 2.047 176.893 174.700 0.243 0.000 1.045 812 T CA 1.732 64.026 62.100 0.325 0.000 1.155 812 T CB -0.310 68.712 68.868 0.258 0.000 0.863 812 T HN 0.310 nan 8.240 nan 0.000 0.420 813 R N 0.207 120.798 120.500 0.152 0.000 2.120 813 R HA -0.089 4.252 4.340 0.001 0.000 0.234 813 R C 2.502 178.855 176.300 0.089 0.000 1.123 813 R CA 1.394 57.549 56.100 0.091 0.000 0.975 813 R CB -0.344 29.976 30.300 0.033 0.000 0.866 813 R HN 0.327 nan 8.270 nan 0.000 0.446 814 T N -0.462 114.163 114.554 0.119 0.000 2.701 814 T HA -0.134 4.217 4.350 0.001 0.000 0.263 814 T C 1.321 176.077 174.700 0.094 0.000 1.040 814 T CA 1.267 63.421 62.100 0.090 0.000 1.147 814 T CB -0.362 68.562 68.868 0.093 0.000 0.865 814 T HN 0.281 nan 8.240 nan 0.000 0.426 815 Y N 2.167 122.531 120.300 0.107 0.000 2.256 815 Y HA -0.096 4.455 4.550 0.001 0.000 0.288 815 Y C 1.996 177.968 175.900 0.120 0.000 1.155 815 Y CA 1.092 59.274 58.100 0.136 0.000 1.203 815 Y CB -0.144 38.450 38.460 0.225 0.000 0.980 815 Y HN 0.424 nan 8.280 nan 0.000 0.530 816 E N -0.011 120.331 120.200 0.237 0.000 2.351 816 E HA 0.053 4.404 4.350 0.001 0.000 0.236 816 E C 0.144 176.796 176.600 0.087 0.000 1.341 816 E CA 0.297 56.785 56.400 0.148 0.000 1.579 816 E CB -0.009 29.766 29.700 0.125 0.000 1.393 816 E HN 0.552 nan 8.360 nan 0.000 0.438 817 E N -0.019 120.225 120.200 0.073 0.000 2.629 817 E HA 0.028 4.379 4.350 0.001 0.000 0.196 817 E C 0.189 176.813 176.600 0.039 0.000 0.977 817 E CA 0.509 56.937 56.400 0.045 0.000 1.663 817 E CB 0.218 29.938 29.700 0.033 0.000 2.258 817 E HN 0.435 nan 8.360 nan 0.000 1.079 818 D N 1.185 121.598 120.400 0.022 0.000 2.449 818 D HA 0.418 5.059 4.640 0.001 0.000 0.236 818 D C -0.081 176.235 176.300 0.026 0.000 1.149 818 D CA 1.022 55.019 54.000 -0.005 0.000 0.878 818 D CB 0.166 40.907 40.800 -0.099 0.000 1.198 818 D HN 0.292 nan 8.370 nan 0.000 0.446 824 S N -0.260 115.436 115.700 -0.007 0.000 2.810 824 S HA 1.019 5.489 4.470 0.001 0.000 0.315 824 S C 0.288 174.898 174.600 0.016 0.000 1.138 824 S CA -0.456 57.728 58.200 -0.026 0.000 0.889 824 S CB 2.130 65.298 63.200 -0.053 0.000 1.236 824 S HN 2.392 nan 8.310 nan 0.000 0.548 825 G N 1.472 110.288 108.800 0.027 0.000 3.393 825 G HA2 0.093 4.054 3.960 0.001 0.000 0.676 825 G HA3 0.093 4.054 3.960 0.001 0.000 0.676 825 G C -1.523 173.458 174.900 0.135 0.000 1.224 825 G CA -0.920 44.261 45.100 0.136 0.000 1.109 825 G HN 0.278 nan 8.290 nan 0.000 0.519 826 K N 0.811 121.349 120.400 0.230 0.000 2.118 826 K HA 0.845 5.166 4.320 0.001 0.000 0.254 826 K C 0.613 177.409 176.600 0.326 0.000 0.961 826 K CA -0.897 55.531 56.287 0.236 0.000 0.876 826 K CB 1.990 34.642 32.500 0.253 0.000 1.077 826 K HN 1.119 nan 8.250 nan 0.000 0.440 827 I N -2.010 118.736 120.570 0.293 0.000 2.785 827 I HA 0.620 4.791 4.170 0.001 0.000 0.302 827 I C -1.128 175.237 176.117 0.413 0.000 1.069 827 I CA -0.834 60.681 61.300 0.359 0.000 1.045 827 I CB 1.548 39.693 38.000 0.242 0.000 1.236 827 I HN 0.147 nan 8.210 nan 0.000 0.429 828 F N 4.983 125.030 119.950 0.161 0.000 2.520 828 F HA 0.626 5.154 4.527 0.001 0.000 0.322 828 F C -0.259 175.662 175.800 0.202 0.000 1.103 828 F CA -0.862 57.247 58.000 0.182 0.000 0.926 828 F CB 2.049 41.214 39.000 0.276 0.000 1.154 828 F HN 0.320 nan 8.300 nan 0.000 0.453 829 I N 3.990 124.733 120.570 0.289 0.000 2.328 829 I HA 0.184 4.354 4.170 0.001 0.000 0.287 829 I C -0.556 175.749 176.117 0.313 0.000 1.012 829 I CA -0.388 61.050 61.300 0.231 0.000 1.195 829 I CB 0.764 38.822 38.000 0.097 0.000 1.350 829 I HN 0.485 nan 8.210 nan 0.000 0.464 830 H N 6.614 125.825 119.070 0.236 0.000 2.581 830 H HA 0.248 4.805 4.556 0.001 0.000 0.308 830 H C -0.666 174.722 175.328 0.099 0.000 1.040 830 H CA -0.654 55.527 56.048 0.222 0.000 1.231 830 H CB 1.210 31.052 29.762 0.134 0.000 1.396 830 H HN 0.508 nan 8.280 nan 0.000 0.467 831 N N 3.848 122.507 118.700 -0.068 0.000 2.452 831 N HA -0.095 4.646 4.740 0.001 0.000 0.266 831 N C 1.515 177.036 175.510 0.020 0.000 1.175 831 N CA -0.032 52.995 53.050 -0.037 0.000 0.945 831 N CB 0.733 39.178 38.487 -0.072 0.000 1.063 831 N HN 0.688 nan 8.380 nan 0.000 0.472 832 E N 2.902 123.126 120.200 0.040 0.000 2.197 832 E HA -0.299 4.051 4.350 0.001 0.000 0.205 832 E C -0.290 176.291 176.600 -0.033 0.000 1.029 832 E CA 1.636 58.053 56.400 0.028 0.000 0.828 832 E CB -0.005 29.669 29.700 -0.042 0.000 0.737 832 E HN 0.382 nan 8.360 nan 0.000 0.464 833 K N -0.260 120.052 120.400 -0.148 0.000 2.526 833 K HA 0.420 4.741 4.320 0.001 0.000 0.214 833 K C 0.038 176.550 176.600 -0.145 0.000 1.088 833 K CA 0.416 56.546 56.287 -0.262 0.000 1.058 833 K CB 0.948 33.005 32.500 -0.738 0.000 1.653 833 K HN 0.237 nan 8.250 nan 0.000 0.521 834 A N -0.166 122.629 122.820 -0.043 0.000 1.988 834 A HA 0.275 4.596 4.320 0.001 0.000 0.201 834 A C 0.381 178.005 177.584 0.068 0.000 1.410 834 A CA 0.185 52.209 52.037 -0.022 0.000 0.832 834 A CB 0.532 19.430 19.000 -0.170 0.000 0.981 834 A HN 0.331 nan 8.150 nan 0.000 0.492 835 S N -0.944 114.830 115.700 0.123 0.000 2.546 835 S HA 0.402 4.873 4.470 0.001 0.000 0.272 835 S C 0.173 174.839 174.600 0.111 0.000 1.140 835 S CA -0.001 58.292 58.200 0.156 0.000 0.920 835 S CB 1.492 64.850 63.200 0.263 0.000 1.083 835 S HN 0.438 nan 8.310 nan 0.000 0.476 836 K N 2.537 122.980 120.400 0.071 0.000 2.459 836 K HA 0.199 4.519 4.320 0.001 0.000 0.193 836 K C 0.756 177.339 176.600 -0.028 0.000 1.030 836 K CA 0.790 57.094 56.287 0.029 0.000 1.026 836 K CB 0.021 32.541 32.500 0.034 0.000 0.809 836 K HN 0.321 nan 8.250 nan 0.000 0.504 837 V N -0.139 119.735 119.914 -0.066 0.000 2.695 837 V HA 0.031 4.152 4.120 0.001 0.000 0.230 837 V C 0.334 176.260 176.094 -0.279 0.000 1.110 837 V CA 0.172 62.318 62.300 -0.256 0.000 1.159 837 V CB -0.386 31.158 31.823 -0.464 0.000 0.875 837 V HN 0.129 nan 8.190 nan 0.000 0.502 838 Y N 3.448 123.756 120.300 0.014 0.000 2.570 838 Y HA 0.367 4.918 4.550 0.001 0.000 0.336 838 Y C 1.147 177.052 175.900 0.008 0.000 1.284 838 Y CA -0.405 57.688 58.100 -0.013 0.000 1.761 838 Y CB -0.971 37.493 38.460 0.007 0.000 1.724 838 Y HN 0.341 nan 8.280 nan 0.000 0.455 839 T N -3.485 111.047 114.554 -0.037 0.000 2.824 839 T HA 0.107 4.457 4.350 0.001 0.000 0.277 839 T C 1.462 175.774 174.700 -0.647 0.000 0.975 839 T CA -0.447 61.520 62.100 -0.223 0.000 0.966 839 T CB 1.182 69.967 68.868 -0.138 0.000 1.054 839 T HN 0.443 nan 8.240 nan 0.000 0.533 840 T N 0.813 114.826 114.554 -0.902 0.000 2.699 840 T HA -0.128 4.223 4.350 0.001 0.000 0.268 840 T C 1.435 175.929 174.700 -0.343 0.000 1.036 840 T CA 1.899 63.588 62.100 -0.685 0.000 1.147 840 T CB -0.631 68.029 68.868 -0.346 0.000 0.862 840 T HN 0.680 nan 8.240 nan 0.000 0.446 841 D N 0.466 120.721 120.400 -0.243 0.000 2.117 841 D HA -0.018 4.622 4.640 0.001 0.000 0.198 841 D C 1.928 178.142 176.300 -0.144 0.000 0.982 841 D CA 0.482 54.389 54.000 -0.155 0.000 0.828 841 D CB -0.393 40.341 40.800 -0.111 0.000 0.967 841 D HN 0.165 nan 8.370 nan 0.000 0.464 842 L N 0.448 121.582 121.223 -0.149 0.000 2.072 842 L HA -0.078 4.262 4.340 0.001 0.000 0.205 842 L C 1.897 178.713 176.870 -0.090 0.000 1.079 842 L CA 1.192 55.973 54.840 -0.099 0.000 0.752 842 L CB -0.387 41.623 42.059 -0.082 0.000 0.906 842 L HN -0.012 nan 8.230 nan 0.000 0.436 843 I N 0.262 120.740 120.570 -0.154 0.000 2.127 843 I HA -0.301 3.869 4.170 0.001 0.000 0.241 843 I C 2.693 178.701 176.117 -0.183 0.000 1.075 843 I CA 1.592 62.785 61.300 -0.178 0.000 1.334 843 I CB -1.863 35.933 38.000 -0.340 0.000 1.040 843 I HN 0.362 nan 8.210 nan 0.000 0.405 844 A N 0.887 123.588 122.820 -0.198 0.000 1.908 844 A HA -0.160 4.160 4.320 0.001 0.000 0.218 844 A C 2.560 180.061 177.584 -0.138 0.000 1.181 844 A CA 2.206 54.130 52.037 -0.188 0.000 0.627 844 A CB -0.821 18.082 19.000 -0.163 0.000 0.818 844 A HN 0.450 nan 8.150 nan 0.000 0.445 845 A N -0.435 122.322 122.820 -0.105 0.000 1.972 845 A HA -0.044 4.276 4.320 0.001 0.000 0.219 845 A C 2.103 179.658 177.584 -0.048 0.000 1.169 845 A CA 1.503 53.497 52.037 -0.072 0.000 0.635 845 A CB -0.520 18.443 19.000 -0.062 0.000 0.810 845 A HN 0.511 nan 8.150 nan 0.000 0.446 846 I N -0.661 119.885 120.570 -0.040 0.000 2.353 846 I HA -0.179 3.991 4.170 0.001 0.000 0.248 846 I C 2.200 178.320 176.117 0.005 0.000 1.119 846 I CA 0.913 62.211 61.300 -0.004 0.000 1.417 846 I CB -0.203 37.814 38.000 0.028 0.000 1.078 846 I HN 0.280 nan 8.210 nan 0.000 0.421 847 I N 0.644 121.191 120.570 -0.039 0.000 2.226 847 I HA -0.226 3.944 4.170 0.001 0.000 0.245 847 I C 2.665 178.853 176.117 0.118 0.000 1.100 847 I CA 1.655 62.948 61.300 -0.012 0.000 1.374 847 I CB -0.876 36.973 38.000 -0.251 0.000 1.057 847 I HN 0.255 nan 8.210 nan 0.000 0.413 848 G N 0.040 108.851 108.800 0.018 0.000 2.459 848 G HA2 -0.303 3.658 3.960 0.001 0.000 0.217 848 G HA3 -0.303 3.658 3.960 0.001 0.000 0.217 848 G C 1.555 176.444 174.900 -0.018 0.000 1.183 848 G CA 0.849 45.953 45.100 0.007 0.000 0.776 848 G HN 0.405 nan 8.290 nan 0.000 0.552 849 E N 0.400 120.588 120.200 -0.021 0.000 2.347 849 E HA 0.260 4.611 4.350 0.001 0.000 0.196 849 E C 1.469 178.043 176.600 -0.044 0.000 1.008 849 E CA 0.058 56.437 56.400 -0.036 0.000 0.852 849 E CB -0.083 29.604 29.700 -0.023 0.000 0.783 849 E HN 0.412 nan 8.360 nan 0.000 0.505 850 A N 0.037 122.853 122.820 -0.006 0.000 2.477 850 A HA 0.424 4.745 4.320 0.001 0.000 0.246 850 A C 1.040 178.499 177.584 -0.207 0.000 1.078 850 A CA 0.457 52.496 52.037 0.002 0.000 0.770 850 A CB -0.075 19.043 19.000 0.196 0.000 1.011 850 A HN 0.350 nan 8.150 nan 0.000 0.494 851 G N 0.067 108.762 108.800 -0.175 0.000 2.198 851 G HA2 0.206 4.167 3.960 0.001 0.000 0.257 851 G HA3 0.206 4.167 3.960 0.001 0.000 0.257 851 G C 0.910 175.679 174.900 -0.219 0.000 1.042 851 G CA 1.154 46.104 45.100 -0.250 0.000 0.791 851 G HN 2.585 nan 8.290 nan 0.000 0.502 852 K N -1.287 119.028 120.400 -0.143 0.000 3.071 852 K HA 0.346 4.667 4.320 0.001 0.000 0.265 852 K C 2.112 178.633 176.600 -0.133 0.000 1.060 852 K CA 1.886 58.107 56.287 -0.110 0.000 0.767 852 K CB -2.067 30.383 32.500 -0.084 0.000 1.241 852 K HN 2.883 nan 8.250 nan 0.000 0.486 853 G N -1.160 107.537 108.800 -0.172 0.000 2.470 853 G HA2 -0.196 3.764 3.960 0.001 0.000 0.286 853 G HA3 -0.196 3.764 3.960 0.001 0.000 0.286 853 G C 0.460 175.201 174.900 -0.264 0.000 1.115 853 G CA 0.972 45.965 45.100 -0.179 0.000 1.122 853 G HN 1.137 nan 8.290 nan 0.000 0.522 854 R N -0.576 119.627 120.500 -0.494 0.000 2.057 854 R HA 0.352 4.693 4.340 0.001 0.000 0.224 854 R C 0.946 176.899 176.300 -0.577 0.000 1.136 854 R CA 1.470 57.178 56.100 -0.653 0.000 0.968 854 R CB 0.028 29.697 30.300 -1.051 0.000 0.863 854 R HN 0.547 nan 8.270 nan 0.000 0.433 855 F N -0.095 119.748 119.950 -0.178 0.000 2.556 855 F HA 0.480 5.007 4.527 0.001 0.000 0.327 855 F C -0.517 175.176 175.800 -0.179 0.000 1.059 855 F CA -1.479 56.383 58.000 -0.230 0.000 0.953 855 F CB 0.705 39.446 39.000 -0.430 0.000 1.227 855 F HN -0.265 nan 8.300 nan 0.000 0.478 856 E N 1.584 121.816 120.200 0.053 0.000 2.046 856 E HA 0.248 4.599 4.350 0.001 0.000 0.279 856 E C -0.698 175.831 176.600 -0.118 0.000 0.989 856 E CA -0.317 56.063 56.400 -0.035 0.000 0.798 856 E CB 1.456 31.130 29.700 -0.044 0.000 1.086 856 E HN 0.713 nan 8.360 nan 0.000 0.399 857 S N 4.347 119.966 115.700 -0.134 0.000 2.562 857 S HA 0.549 5.020 4.470 0.001 0.000 0.275 857 S C 0.114 174.524 174.600 -0.316 0.000 1.281 857 S CA -0.879 57.176 58.200 -0.240 0.000 1.045 857 S CB 1.692 64.779 63.200 -0.188 0.000 0.962 857 S HN 0.305 nan 8.310 nan 0.000 0.503 858 R N 1.303 121.507 120.500 -0.493 0.000 2.698 858 R HA 0.519 4.860 4.340 0.001 0.000 0.275 858 R C -0.557 175.594 176.300 -0.248 0.000 1.001 858 R CA -0.546 55.270 56.100 -0.474 0.000 0.896 858 R CB 1.780 31.554 30.300 -0.877 0.000 1.218 858 R HN 0.949 nan 8.270 nan 0.000 0.462 859 T N -1.431 113.090 114.554 -0.056 0.000 2.928 859 T HA 0.819 5.169 4.350 0.001 0.000 0.284 859 T C -0.122 174.702 174.700 0.207 0.000 1.008 859 T CA -0.777 61.358 62.100 0.059 0.000 1.057 859 T CB 1.873 70.741 68.868 -0.000 0.000 1.018 859 T HN 0.587 nan 8.240 nan 0.000 0.493 860 A N 1.647 124.612 122.820 0.242 0.000 2.381 860 A HA 0.654 4.974 4.320 0.001 0.000 0.299 860 A C -0.730 176.943 177.584 0.148 0.000 1.049 860 A CA -0.876 51.331 52.037 0.283 0.000 0.715 860 A CB 1.556 20.801 19.000 0.409 0.000 1.222 860 A HN 1.009 nan 8.150 nan 0.000 0.428 861 V N 3.692 123.669 119.914 0.106 0.000 2.315 861 V HA 0.268 4.389 4.120 0.001 0.000 0.265 861 V C -1.803 174.235 176.094 -0.093 0.000 1.019 861 V CA -0.977 61.319 62.300 -0.007 0.000 0.824 861 V CB 0.541 32.367 31.823 0.005 0.000 1.072 861 V HN 0.762 nan 8.190 nan 0.000 0.448 862 P HA -0.061 nan 4.420 nan 0.000 0.215 862 P C 1.358 178.529 177.300 -0.215 0.000 1.157 862 P CA 2.072 64.843 63.100 -0.548 0.000 0.874 862 P CB 0.103 31.228 31.700 -0.959 0.000 0.790 863 G N -0.484 108.194 108.800 -0.203 0.000 2.561 863 G HA2 -0.374 3.586 3.960 0.001 0.000 0.289 863 G HA3 -0.374 3.586 3.960 0.001 0.000 0.289 863 G C 0.713 175.484 174.900 -0.214 0.000 1.169 863 G CA 0.817 45.814 45.100 -0.171 0.000 0.980 863 G HN 0.370 nan 8.290 nan 0.000 0.550 864 H N -0.104 118.933 119.070 -0.055 0.000 2.560 864 H HA 0.220 4.777 4.556 0.001 0.000 0.283 864 H C 2.428 177.727 175.328 -0.048 0.000 1.028 864 H CA 1.009 57.029 56.048 -0.047 0.000 1.221 864 H CB 0.047 29.790 29.762 -0.033 0.000 1.363 864 H HN 0.325 nan 8.280 nan 0.000 0.594 865 V N 0.193 120.114 119.914 0.012 0.000 2.970 865 V HA -0.197 3.924 4.120 0.001 0.000 0.260 865 V C 1.754 177.822 176.094 -0.044 0.000 1.100 865 V CA 1.339 63.639 62.300 -0.001 0.000 1.122 865 V CB -0.195 31.641 31.823 0.020 0.000 0.721 865 V HN 0.511 nan 8.190 nan 0.000 0.483 866 Q N -0.272 119.470 119.800 -0.096 0.000 2.248 866 Q HA -0.263 4.078 4.340 0.001 0.000 0.208 866 Q C 2.235 178.185 176.000 -0.084 0.000 0.984 866 Q CA 1.916 57.651 55.803 -0.114 0.000 0.875 866 Q CB -0.085 28.559 28.738 -0.157 0.000 0.910 866 Q HN 0.810 nan 8.270 nan 0.000 0.433 867 Q N -0.336 119.428 119.800 -0.061 0.000 2.291 867 Q HA 0.021 4.361 4.340 0.001 0.000 0.205 867 Q C 0.853 176.822 176.000 -0.051 0.000 0.970 867 Q CA 0.941 56.712 55.803 -0.054 0.000 0.876 867 Q CB -0.191 28.525 28.738 -0.038 0.000 0.935 867 Q HN 0.222 nan 8.270 nan 0.000 0.455 868 G N 1.598 110.375 108.800 -0.039 0.000 2.755 868 G HA2 -0.295 3.665 3.960 0.001 0.000 0.686 868 G HA3 -0.295 3.665 3.960 0.001 0.000 0.686 868 G C -0.214 174.662 174.900 -0.039 0.000 1.427 868 G CA 0.098 45.178 45.100 -0.034 0.000 0.873 868 G HN 0.229 nan 8.290 nan 0.000 0.580 869 K N -0.409 119.969 120.400 -0.038 0.000 2.044 869 K HA 0.252 4.573 4.320 0.001 0.000 0.204 869 K C 1.160 177.719 176.600 -0.067 0.000 1.049 869 K CA 1.499 57.758 56.287 -0.048 0.000 0.945 869 K CB -0.019 32.455 32.500 -0.043 0.000 0.724 869 K HN 0.504 nan 8.250 nan 0.000 0.440 870 S N 1.562 117.220 115.700 -0.070 0.000 2.513 870 S HA 0.401 4.871 4.470 0.001 0.000 0.299 870 S C -2.744 171.819 174.600 -0.062 0.000 1.087 870 S CA -1.429 56.723 58.200 -0.081 0.000 1.012 870 S CB 1.950 65.089 63.200 -0.102 0.000 1.044 870 S HN 0.118 nan 8.310 nan 0.000 0.485 871 P HA 0.102 nan 4.420 nan 0.000 0.269 871 P C 0.012 177.302 177.300 -0.018 0.000 1.209 871 P CA -0.198 62.882 63.100 -0.034 0.000 0.776 871 P CB 0.399 32.084 31.700 -0.025 0.000 0.876 872 S N 1.263 116.961 115.700 -0.004 0.000 2.596 872 S HA 0.030 4.500 4.470 0.001 0.000 0.260 872 S C 1.642 176.257 174.600 0.025 0.000 1.336 872 S CA 0.325 58.532 58.200 0.012 0.000 0.993 872 S CB -0.163 63.047 63.200 0.016 0.000 0.923 872 S HN 0.544 nan 8.310 nan 0.000 0.567 873 S N 1.179 116.909 115.700 0.050 0.000 2.368 873 S HA -0.104 4.367 4.470 0.001 0.000 0.224 873 S C 1.822 176.458 174.600 0.060 0.000 1.029 873 S CA 1.068 59.304 58.200 0.060 0.000 0.988 873 S CB -1.052 62.205 63.200 0.095 0.000 0.838 873 S HN 0.686 nan 8.310 nan 0.000 0.462 874 I N 2.390 122.981 120.570 0.035 0.000 2.208 874 I HA -0.201 3.969 4.170 0.001 0.000 0.245 874 I C 2.348 178.432 176.117 -0.055 0.000 1.097 874 I CA 1.695 62.939 61.300 -0.093 0.000 1.363 874 I CB -0.404 37.410 38.000 -0.310 0.000 1.051 874 I HN 0.240 nan 8.210 nan 0.000 0.413 875 D N 0.452 120.863 120.400 0.018 0.000 2.117 875 D HA -0.136 4.505 4.640 0.001 0.000 0.198 875 D C 2.373 178.703 176.300 0.049 0.000 0.982 875 D CA 1.168 55.212 54.000 0.073 0.000 0.828 875 D CB -0.124 40.712 40.800 0.061 0.000 0.967 875 D HN 0.251 nan 8.370 nan 0.000 0.464 876 R N 0.216 120.736 120.500 0.034 0.000 2.073 876 R HA -0.073 4.268 4.340 0.001 0.000 0.234 876 R C 2.456 178.775 176.300 0.031 0.000 1.134 876 R CA 0.711 56.835 56.100 0.040 0.000 0.952 876 R CB -0.430 29.898 30.300 0.045 0.000 0.850 876 R HN 0.045 nan 8.270 nan 0.000 0.433 877 V N 1.744 121.666 119.914 0.013 0.000 2.261 877 V HA -0.262 3.859 4.120 0.001 0.000 0.246 877 V C 1.817 177.916 176.094 0.008 0.000 1.047 877 V CA 1.797 64.096 62.300 -0.002 0.000 1.015 877 V CB -0.491 31.323 31.823 -0.015 0.000 0.642 877 V HN 0.368 nan 8.190 nan 0.000 0.446 878 N N 0.401 119.103 118.700 0.003 0.000 2.188 878 N HA -0.106 4.635 4.740 0.001 0.000 0.184 878 N C 1.898 177.435 175.510 0.046 0.000 1.018 878 N CA 1.576 54.637 53.050 0.019 0.000 0.858 878 N CB -0.451 38.045 38.487 0.015 0.000 0.989 878 N HN 0.483 nan 8.380 nan 0.000 0.426 879 A N 0.496 123.348 122.820 0.052 0.000 1.940 879 A HA -0.188 4.133 4.320 0.001 0.000 0.219 879 A C 2.716 180.330 177.584 0.049 0.000 1.176 879 A CA 1.584 53.649 52.037 0.047 0.000 0.631 879 A CB -1.115 17.911 19.000 0.044 0.000 0.814 879 A HN 0.511 nan 8.150 nan 0.000 0.446 880 C N -0.827 118.502 119.300 0.048 0.000 2.476 880 C HA 0.028 4.488 4.460 0.001 0.000 0.278 880 C C 2.754 177.777 174.990 0.055 0.000 1.274 880 C CA 1.283 60.331 59.018 0.051 0.000 1.713 880 C CB -1.162 26.600 27.740 0.037 0.000 2.039 880 C HN 0.695 nan 8.230 nan 0.000 0.484 881 R N 0.217 120.745 120.500 0.046 0.000 2.080 881 R HA -0.110 4.231 4.340 0.001 0.000 0.236 881 R C 2.215 178.550 176.300 0.058 0.000 1.137 881 R CA 2.194 58.326 56.100 0.052 0.000 0.943 881 R CB -0.467 29.855 30.300 0.038 0.000 0.846 881 R HN 0.602 nan 8.270 nan 0.000 0.431 882 L N 0.099 121.346 121.223 0.039 0.000 2.109 882 L HA -0.030 4.311 4.340 0.001 0.000 0.207 882 L C 2.730 179.627 176.870 0.045 0.000 1.086 882 L CA 1.081 55.934 54.840 0.021 0.000 0.760 882 L CB -0.472 41.586 42.059 -0.001 0.000 0.910 882 L HN 0.338 nan 8.230 nan 0.000 0.437 883 A N 0.351 123.204 122.820 0.056 0.000 1.902 883 A HA -0.190 4.130 4.320 0.001 0.000 0.217 883 A C 2.254 179.891 177.584 0.090 0.000 1.181 883 A CA 1.566 53.643 52.037 0.067 0.000 0.623 883 A CB -0.677 18.363 19.000 0.067 0.000 0.818 883 A HN 0.326 nan 8.150 nan 0.000 0.443 884 I N -0.479 120.153 120.570 0.104 0.000 2.208 884 I HA -0.259 3.911 4.170 0.001 0.000 0.245 884 I C 2.303 178.519 176.117 0.165 0.000 1.097 884 I CA 1.342 62.722 61.300 0.133 0.000 1.363 884 I CB -0.096 37.990 38.000 0.142 0.000 1.051 884 I HN 0.174 nan 8.210 nan 0.000 0.413 885 K N -0.071 120.432 120.400 0.173 0.000 2.148 885 K HA -0.090 4.231 4.320 0.001 0.000 0.204 885 K C 2.194 178.997 176.600 0.338 0.000 1.050 885 K CA 1.035 57.483 56.287 0.268 0.000 0.942 885 K CB -0.587 32.039 32.500 0.210 0.000 0.724 885 K HN 0.408 nan 8.250 nan 0.000 0.446 886 C N 0.562 119.989 119.300 0.212 0.000 2.442 886 C HA -0.152 4.308 4.460 0.001 0.000 0.279 886 C C 3.021 178.164 174.990 0.256 0.000 1.237 886 C CA 0.507 59.656 59.018 0.218 0.000 1.722 886 C CB -0.900 26.910 27.740 0.118 0.000 2.056 886 C HN 0.517 nan 8.230 nan 0.000 0.469 887 C N 0.923 120.327 119.300 0.172 0.000 2.413 887 C HA -0.118 4.342 4.460 0.001 0.000 0.276 887 C C 2.475 177.565 174.990 0.167 0.000 1.248 887 C CA 1.234 60.328 59.018 0.128 0.000 1.742 887 C CB -1.765 26.014 27.740 0.066 0.000 2.017 887 C HN 0.643 nan 8.230 nan 0.000 0.481 888 N N 0.308 119.134 118.700 0.211 0.000 2.205 888 N HA -0.104 4.636 4.740 0.001 0.000 0.186 888 N C 1.338 176.998 175.510 0.249 0.000 1.015 888 N CA 1.131 54.309 53.050 0.213 0.000 0.862 888 N CB -0.538 38.085 38.487 0.227 0.000 0.986 888 N HN 0.627 nan 8.380 nan 0.000 0.429 889 F N 1.683 121.754 119.950 0.202 0.000 2.053 889 F HA 0.009 4.537 4.527 0.001 0.000 0.292 889 F C 2.115 178.060 175.800 0.241 0.000 1.125 889 F CA 0.956 59.093 58.000 0.227 0.000 1.193 889 F CB -0.486 38.682 39.000 0.280 0.000 0.996 889 F HN -0.007 nan 8.300 nan 0.000 0.470 890 I N -0.727 119.986 120.570 0.238 0.000 2.208 890 I HA -0.216 3.955 4.170 0.001 0.000 0.245 890 I C 1.456 177.589 176.117 0.026 0.000 1.097 890 I CA 1.955 63.306 61.300 0.086 0.000 1.363 890 I CB -0.962 37.126 38.000 0.146 0.000 1.051 890 I HN 0.195 nan 8.210 nan 0.000 0.413 891 E N 1.187 121.403 120.200 0.027 0.000 2.502 891 E HA -0.007 4.343 4.350 0.001 0.000 0.194 891 E C 0.175 176.792 176.600 0.028 0.000 1.062 891 E CA -0.106 56.273 56.400 -0.034 0.000 0.867 891 E CB -0.178 29.481 29.700 -0.069 0.000 0.888 891 E HN 0.444 nan 8.360 nan 0.000 0.510 892 D N 0.366 120.787 120.400 0.035 0.000 2.425 892 D HA 0.006 4.647 4.640 0.001 0.000 0.247 892 D C 0.926 177.172 176.300 -0.090 0.000 1.147 892 D CA 0.075 54.048 54.000 -0.044 0.000 0.879 892 D CB 1.248 41.963 40.800 -0.141 0.000 1.179 892 D HN 0.108 nan 8.370 nan 0.000 0.456 893 A N 5.031 127.797 122.820 -0.089 0.000 2.019 893 A HA -0.216 4.105 4.320 0.001 0.000 0.219 893 A C 1.878 179.366 177.584 -0.160 0.000 1.164 893 A CA 0.976 52.969 52.037 -0.075 0.000 0.644 893 A CB -0.241 18.735 19.000 -0.039 0.000 0.805 893 A HN 0.674 nan 8.150 nan 0.000 0.449 894 N N -0.592 117.909 118.700 -0.330 0.000 2.149 894 N HA -0.131 4.609 4.740 0.001 0.000 0.188 894 N C 0.785 176.038 175.510 -0.428 0.000 1.019 894 N CA 1.411 54.189 53.050 -0.454 0.000 0.857 894 N CB -0.385 37.682 38.487 -0.700 0.000 0.997 894 N HN 0.535 nan 8.380 nan 0.000 0.426 895 F N 0.790 120.664 119.950 -0.127 0.000 2.765 895 F HA 0.245 4.773 4.527 0.001 0.000 0.302 895 F C 1.003 176.756 175.800 -0.079 0.000 1.111 895 F CA 0.085 58.008 58.000 -0.127 0.000 1.359 895 F CB -0.027 38.831 39.000 -0.237 0.000 1.097 895 F HN -0.212 nan 8.300 nan 0.000 0.577 896 Q N 0.245 120.070 119.800 0.041 0.000 2.257 896 Q HA 0.343 4.684 4.340 0.001 0.000 0.262 896 Q C -0.012 175.961 176.000 -0.044 0.000 0.997 896 Q CA -0.776 55.039 55.803 0.020 0.000 0.873 896 Q CB 2.731 31.483 28.738 0.023 0.000 1.312 896 Q HN -0.159 nan 8.270 nan 0.000 0.450 897 V N 2.372 122.240 119.914 -0.075 0.000 2.681 897 V HA -0.150 3.970 4.120 0.001 0.000 0.306 897 V C 0.388 176.260 176.094 -0.370 0.000 1.077 897 V CA 0.572 62.770 62.300 -0.170 0.000 1.224 897 V CB -0.178 31.546 31.823 -0.165 0.000 0.879 897 V HN 0.515 nan 8.190 nan 0.000 0.494 898 K N 4.302 124.539 120.400 -0.271 0.000 2.297 898 K HA 0.248 4.568 4.320 0.001 0.000 0.286 898 K C 0.923 177.324 176.600 -0.333 0.000 1.053 898 K CA -0.093 56.038 56.287 -0.259 0.000 0.940 898 K CB 0.329 32.762 32.500 -0.111 0.000 1.019 898 K HN 0.595 nan 8.250 nan 0.000 0.475 899 H N 0.866 119.917 119.070 -0.032 0.000 2.548 899 H HA 0.060 4.617 4.556 0.001 0.000 0.268 899 H C -0.233 175.064 175.328 -0.051 0.000 0.975 899 H CA 0.462 56.485 56.048 -0.041 0.000 1.195 899 H CB 0.508 30.254 29.762 -0.028 0.000 1.397 899 H HN 0.425 nan 8.280 nan 0.000 0.572 900 N N 1.446 120.160 118.700 0.023 0.000 3.322 900 N HA 0.374 5.115 4.740 0.001 0.000 0.290 900 N C -0.618 174.861 175.510 -0.051 0.000 1.297 900 N CA 0.083 53.129 53.050 -0.006 0.000 1.167 900 N CB 0.927 39.413 38.487 -0.002 0.000 1.434 900 N HN 0.213 nan 8.380 nan 0.000 0.526 901 A N 1.021 123.791 122.820 -0.084 0.000 2.574 901 A HA 0.356 4.676 4.320 0.001 0.000 0.297 901 A C -0.566 176.912 177.584 -0.177 0.000 1.062 901 A CA -0.908 51.031 52.037 -0.162 0.000 0.686 901 A CB 0.950 19.801 19.000 -0.248 0.000 1.285 901 A HN 0.235 nan 8.150 nan 0.000 0.403 902 N N 1.832 120.410 118.700 -0.204 0.000 3.027 902 N HA 0.177 4.918 4.740 0.001 0.000 0.309 902 N C -0.900 174.475 175.510 -0.226 0.000 1.222 902 N CA 0.583 53.533 53.050 -0.166 0.000 1.187 902 N CB -0.347 38.068 38.487 -0.121 0.000 1.458 902 N HN 0.516 nan 8.380 nan 0.000 0.535 903 L N 0.546 121.647 121.223 -0.203 0.000 2.307 903 L HA 0.296 4.637 4.340 0.001 0.000 0.284 903 L C 0.906 177.705 176.870 -0.120 0.000 1.023 903 L CA -0.736 53.986 54.840 -0.197 0.000 0.810 903 L CB 1.428 43.363 42.059 -0.207 0.000 1.231 903 L HN 0.219 nan 8.230 nan 0.000 0.423 904 S N 1.941 117.582 115.700 -0.098 0.000 2.617 904 S HA 0.370 4.841 4.470 0.001 0.000 0.269 904 S C 1.150 175.675 174.600 -0.125 0.000 1.292 904 S CA -0.044 58.107 58.200 -0.081 0.000 1.010 904 S CB 1.702 64.872 63.200 -0.050 0.000 0.944 904 S HN 0.708 nan 8.310 nan 0.000 0.536 905 A N 1.339 124.080 122.820 -0.132 0.000 1.940 905 A HA -0.099 4.222 4.320 0.001 0.000 0.219 905 A C 1.800 179.156 177.584 -0.381 0.000 1.176 905 A CA 1.742 53.629 52.037 -0.249 0.000 0.631 905 A CB -0.971 17.948 19.000 -0.136 0.000 0.814 905 A HN 0.914 nan 8.150 nan 0.000 0.446 906 D N -0.503 119.819 120.400 -0.130 0.000 2.149 906 D HA -0.101 4.540 4.640 0.001 0.000 0.201 906 D C 1.861 178.090 176.300 -0.119 0.000 0.972 906 D CA 1.247 55.226 54.000 -0.035 0.000 0.835 906 D CB -0.313 40.483 40.800 -0.007 0.000 0.966 906 D HN 0.641 nan 8.370 nan 0.000 0.476 907 E N 0.706 120.828 120.200 -0.130 0.000 2.077 907 E HA -0.181 4.169 4.350 0.001 0.000 0.193 907 E C 2.200 178.715 176.600 -0.140 0.000 0.989 907 E CA 0.838 57.163 56.400 -0.125 0.000 0.800 907 E CB -0.005 29.677 29.700 -0.030 0.000 0.746 907 E HN 0.329 nan 8.360 nan 0.000 0.452 908 R N -0.183 120.208 120.500 -0.181 0.000 2.148 908 R HA -0.091 4.249 4.340 0.001 0.000 0.227 908 R C 1.680 177.901 176.300 -0.131 0.000 1.103 908 R CA 1.600 57.597 56.100 -0.171 0.000 0.983 908 R CB -0.550 29.649 30.300 -0.168 0.000 0.874 908 R HN 0.347 nan 8.270 nan 0.000 0.451 909 H N 0.361 119.395 119.070 -0.060 0.000 2.403 909 H HA 0.124 4.680 4.556 0.001 0.000 0.298 909 H C 1.871 177.147 175.328 -0.087 0.000 1.059 909 H CA 0.976 56.989 56.048 -0.059 0.000 1.363 909 H CB 0.201 29.921 29.762 -0.071 0.000 1.410 909 H HN 0.033 nan 8.280 nan 0.000 0.528 910 L N 0.040 121.212 121.223 -0.086 0.000 2.313 910 L HA 0.007 4.347 4.340 0.001 0.000 0.214 910 L C 0.618 177.361 176.870 -0.212 0.000 1.119 910 L CA 0.481 55.145 54.840 -0.293 0.000 0.809 910 L CB 0.120 41.709 42.059 -0.784 0.000 0.933 910 L HN 0.265 nan 8.230 nan 0.000 0.449 911 R N -0.732 119.711 120.500 -0.095 0.000 3.776 911 R HA -0.219 4.122 4.340 0.001 0.000 0.312 911 R C -0.867 175.548 176.300 0.191 0.000 1.181 911 R CA 0.915 57.053 56.100 0.063 0.000 0.836 911 R CB -2.602 27.771 30.300 0.122 0.000 1.324 911 R HN 0.449 nan 8.270 nan 0.000 0.501 912 F N -1.331 118.684 119.950 0.107 0.000 2.678 912 F HA 0.772 5.299 4.527 0.001 0.000 0.308 912 F C -0.948 174.960 175.800 0.180 0.000 1.118 912 F CA -2.035 56.004 58.000 0.064 0.000 0.959 912 F CB 1.091 40.052 39.000 -0.065 0.000 1.305 912 F HN -0.086 nan 8.300 nan 0.000 0.443 913 F N -0.276 119.805 119.950 0.220 0.000 2.613 913 F HA 0.719 5.247 4.527 0.001 0.000 0.310 913 F C -2.236 173.645 175.800 0.136 0.000 1.085 913 F CA -1.880 56.226 58.000 0.177 0.000 0.945 913 F CB 1.407 40.452 39.000 0.075 0.000 1.298 913 F HN 0.535 nan 8.300 nan 0.000 0.455 914 Y N 1.422 121.844 120.300 0.204 0.000 2.404 914 Y HA 0.323 4.874 4.550 0.001 0.000 0.344 914 Y C -0.451 175.527 175.900 0.130 0.000 0.970 914 Y CA -0.322 57.819 58.100 0.069 0.000 1.180 914 Y CB 0.888 39.397 38.460 0.081 0.000 1.138 914 Y HN 0.647 nan 8.280 nan 0.000 0.510 915 D N 3.311 123.767 120.400 0.094 0.000 2.303 915 D HA 0.118 4.759 4.640 0.001 0.000 0.236 915 D C -0.177 176.185 176.300 0.103 0.000 1.068 915 D CA -0.169 53.939 54.000 0.179 0.000 0.830 915 D CB 0.576 41.507 40.800 0.218 0.000 1.109 915 D HN 0.567 nan 8.370 nan 0.000 0.496 916 D N 3.345 123.814 120.400 0.115 0.000 2.702 916 D HA -0.247 4.393 4.640 0.001 0.000 0.233 916 D C 0.976 177.319 176.300 0.073 0.000 1.164 916 D CA 1.439 55.486 54.000 0.079 0.000 0.638 916 D CB -0.698 40.137 40.800 0.058 0.000 1.041 916 D HN 0.893 nan 8.370 nan 0.000 0.422 917 G N -1.811 107.057 108.800 0.112 0.000 2.454 917 G HA2 -0.284 3.677 3.960 0.001 0.000 0.225 917 G HA3 -0.284 3.677 3.960 0.001 0.000 0.225 917 G C 0.764 175.752 174.900 0.147 0.000 1.138 917 G CA 0.421 45.599 45.100 0.130 0.000 0.667 917 G HN 1.171 nan 8.290 nan 0.000 0.512 918 V N 1.877 121.808 119.914 0.029 0.000 2.521 918 V HA 0.612 4.732 4.120 0.001 0.000 0.286 918 V C 0.839 176.760 176.094 -0.288 0.000 1.034 918 V CA 1.008 63.253 62.300 -0.092 0.000 1.045 918 V CB 0.555 32.321 31.823 -0.095 0.000 0.974 918 V HN 0.563 nan 8.190 nan 0.000 0.480 919 K N 4.677 124.774 120.400 -0.505 0.000 2.338 919 K HA 0.436 4.757 4.320 0.001 0.000 0.290 919 K C -0.261 175.968 176.600 -0.619 0.000 1.069 919 K CA -0.010 55.715 56.287 -0.938 0.000 0.941 919 K CB 0.050 31.889 32.500 -1.101 0.000 1.023 919 K HN 0.824 nan 8.250 nan 0.000 0.477 920 T N 2.043 116.161 114.554 -0.726 0.000 2.855 920 T HA 0.102 4.453 4.350 0.001 0.000 0.281 920 T C -0.445 173.932 174.700 -0.539 0.000 1.007 920 T CA -0.641 61.044 62.100 -0.692 0.000 1.009 920 T CB 1.643 69.894 68.868 -1.028 0.000 0.983 920 T HN 0.499 nan 8.240 nan 0.000 0.455 921 S N 1.355 116.924 115.700 -0.218 0.000 2.481 921 S HA 0.350 4.821 4.470 0.001 0.000 0.276 921 S C 1.408 176.112 174.600 0.172 0.000 1.247 921 S CA -0.567 57.638 58.200 0.009 0.000 1.053 921 S CB 0.065 63.278 63.200 0.022 0.000 0.925 921 S HN 0.807 nan 8.310 nan 0.000 0.491 922 A N 4.684 127.685 122.820 0.302 0.000 2.248 922 A HA 0.122 4.442 4.320 0.001 0.000 0.210 922 A C 1.356 179.023 177.584 0.138 0.000 1.174 922 A CA 0.908 53.148 52.037 0.337 0.000 0.750 922 A CB -0.300 18.836 19.000 0.227 0.000 0.780 922 A HN 0.719 nan 8.150 nan 0.000 0.478 923 V N -0.671 119.310 119.914 0.112 0.000 2.868 923 V HA -0.062 4.059 4.120 0.001 0.000 0.227 923 V C 2.630 178.754 176.094 0.049 0.000 1.136 923 V CA 1.455 63.788 62.300 0.056 0.000 1.206 923 V CB -0.642 31.223 31.823 0.070 0.000 0.997 923 V HN 0.611 nan 8.190 nan 0.000 0.505 924 S N 0.716 116.451 115.700 0.058 0.000 2.453 924 S HA 0.104 4.575 4.470 0.001 0.000 0.231 924 S C 1.803 176.426 174.600 0.039 0.000 1.005 924 S CA 1.088 59.312 58.200 0.040 0.000 0.949 924 S CB 0.009 63.233 63.200 0.040 0.000 0.774 924 S HN 1.418 nan 8.310 nan 0.000 0.510 925 G N 1.249 110.087 108.800 0.063 0.000 2.184 925 G HA2 -0.298 3.662 3.960 0.001 0.000 0.264 925 G HA3 -0.298 3.662 3.960 0.001 0.000 0.264 925 G C 0.057 174.958 174.900 0.002 0.000 0.975 925 G CA 0.548 45.691 45.100 0.071 0.000 0.642 925 G HN 0.592 nan 8.290 nan 0.000 0.536 926 K N 0.527 120.919 120.400 -0.014 0.000 2.168 926 K HA 0.492 4.812 4.320 0.001 0.000 0.258 926 K C 1.484 178.029 176.600 -0.091 0.000 1.010 926 K CA 0.102 56.366 56.287 -0.038 0.000 0.929 926 K CB 0.844 33.333 32.500 -0.017 0.000 0.998 926 K HN 0.114 nan 8.250 nan 0.000 0.479 927 S N 0.476 116.116 115.700 -0.099 0.000 2.383 927 S HA -0.114 4.357 4.470 0.001 0.000 0.227 927 S C 0.792 175.306 174.600 -0.143 0.000 1.026 927 S CA 0.868 58.984 58.200 -0.140 0.000 0.981 927 S CB -0.111 63.023 63.200 -0.109 0.000 0.818 927 S HN 0.738 nan 8.310 nan 0.000 0.472 928 S N 2.060 117.704 115.700 -0.094 0.000 2.423 928 S HA 0.297 4.768 4.470 0.001 0.000 0.302 928 S C 1.001 175.558 174.600 -0.072 0.000 1.143 928 S CA -0.653 57.498 58.200 -0.082 0.000 1.080 928 S CB 0.810 63.982 63.200 -0.046 0.000 1.081 928 S HN 0.061 nan 8.310 nan 0.000 0.522 929 V N 3.776 123.625 119.914 -0.108 0.000 2.407 929 V HA -0.080 4.041 4.120 0.001 0.000 0.248 929 V C 1.034 177.126 176.094 -0.004 0.000 1.055 929 V CA 1.341 63.598 62.300 -0.073 0.000 1.049 929 V CB -0.572 31.146 31.823 -0.175 0.000 0.662 929 V HN 0.825 nan 8.190 nan 0.000 0.455 930 I N 1.190 121.750 120.570 -0.017 0.000 2.304 930 I HA 0.243 4.414 4.170 0.001 0.000 0.291 930 I C -0.400 175.729 176.117 0.020 0.000 1.018 930 I CA -0.159 61.148 61.300 0.012 0.000 1.260 930 I CB 0.995 38.995 38.000 -0.001 0.000 1.390 930 I HN 0.063 nan 8.210 nan 0.000 0.475 931 D N 5.901 126.326 120.400 0.041 0.000 2.329 931 D HA 0.111 4.752 4.640 0.001 0.000 0.232 931 D C 0.518 176.844 176.300 0.044 0.000 1.088 931 D CA -0.257 53.774 54.000 0.052 0.000 0.835 931 D CB 1.346 42.195 40.800 0.082 0.000 1.078 931 D HN 0.412 nan 8.370 nan 0.000 0.495 932 D N 2.511 122.937 120.400 0.044 0.000 2.264 932 D HA -0.101 4.540 4.640 0.001 0.000 0.208 932 D C 0.986 177.321 176.300 0.058 0.000 0.966 932 D CA 0.502 54.528 54.000 0.043 0.000 0.864 932 D CB 0.348 41.174 40.800 0.044 0.000 0.933 932 D HN 0.434 nan 8.370 nan 0.000 0.499 933 N N 0.084 118.829 118.700 0.075 0.000 2.512 933 N HA -0.083 4.657 4.740 0.001 0.000 0.183 933 N C 1.747 177.314 175.510 0.095 0.000 1.073 933 N CA 0.745 53.858 53.050 0.105 0.000 0.911 933 N CB -0.209 38.368 38.487 0.149 0.000 0.964 933 N HN 0.326 nan 8.380 nan 0.000 0.447 934 T N -3.179 111.378 114.554 0.005 0.000 3.023 934 T HA 0.091 4.442 4.350 0.001 0.000 0.266 934 T C 0.931 175.701 174.700 0.116 0.000 1.093 934 T CA 0.222 62.274 62.100 -0.081 0.000 1.129 934 T CB -0.019 68.734 68.868 -0.192 0.000 0.899 934 T HN -0.152 nan 8.240 nan 0.000 0.491 935 S N 1.244 116.992 115.700 0.079 0.000 2.543 935 S HA 0.616 5.086 4.470 0.001 0.000 0.299 935 S C -0.625 173.992 174.600 0.028 0.000 1.125 935 S CA -0.615 57.618 58.200 0.055 0.000 1.098 935 S CB 0.909 64.114 63.200 0.008 0.000 1.063 935 S HN 0.297 nan 8.310 nan 0.000 0.493 936 V N 3.851 123.747 119.914 -0.030 0.000 2.815 936 V HA 0.528 4.648 4.120 0.001 0.000 0.314 936 V C -0.432 175.602 176.094 -0.100 0.000 1.064 936 V CA -0.633 61.594 62.300 -0.121 0.000 0.952 936 V CB 2.351 33.931 31.823 -0.406 0.000 1.020 936 V HN 0.471 nan 8.190 nan 0.000 0.439 937 V N 6.013 125.893 119.914 -0.055 0.000 2.350 937 V HA 0.428 4.549 4.120 0.001 0.000 0.276 937 V C -0.050 175.948 176.094 -0.160 0.000 1.028 937 V CA -0.265 62.009 62.300 -0.044 0.000 0.860 937 V CB 1.273 33.124 31.823 0.046 0.000 0.990 937 V HN 0.606 nan 8.190 nan 0.000 0.453 938 I N 5.288 125.732 120.570 -0.210 0.000 2.291 938 I HA 0.584 4.755 4.170 0.001 0.000 0.292 938 I C 0.899 176.864 176.117 -0.254 0.000 1.064 938 I CA 0.567 61.652 61.300 -0.359 0.000 1.269 938 I CB 0.816 38.583 38.000 -0.389 0.000 1.418 938 I HN 0.742 nan 8.210 nan 0.000 0.485 939 G N 6.121 114.768 108.800 -0.255 0.000 3.105 939 G HA2 0.798 4.759 3.960 0.001 0.000 0.277 939 G HA3 0.798 4.759 3.960 0.001 0.000 0.277 939 G C -1.075 173.749 174.900 -0.128 0.000 1.375 939 G CA -0.653 44.354 45.100 -0.155 0.000 0.962 939 G HN 0.322 nan 8.290 nan 0.000 0.541 940 I N -0.224 120.312 120.570 -0.057 0.000 2.404 940 I HA 0.426 4.596 4.170 0.001 0.000 0.293 940 I C -0.584 175.527 176.117 -0.011 0.000 0.992 940 I CA -0.459 60.826 61.300 -0.025 0.000 1.149 940 I CB 2.235 40.241 38.000 0.009 0.000 1.315 940 I HN 0.166 nan 8.210 nan 0.000 0.446 941 Q N 4.020 123.819 119.800 -0.001 0.000 2.394 941 Q HA 0.597 4.938 4.340 0.001 0.000 0.261 941 Q C 0.389 176.407 176.000 0.031 0.000 1.023 941 Q CA 0.416 56.228 55.803 0.016 0.000 0.720 941 Q CB 1.774 30.522 28.738 0.016 0.000 1.241 941 Q HN 0.874 nan 8.270 nan 0.000 0.483 942 G N 1.493 110.317 108.800 0.039 0.000 2.950 942 G HA2 -0.380 3.581 3.960 0.001 0.000 0.299 942 G HA3 -0.380 3.581 3.960 0.001 0.000 0.299 942 G C 0.814 175.739 174.900 0.041 0.000 1.310 942 G CA 0.726 45.855 45.100 0.049 0.000 0.994 942 G HN 0.658 nan 8.290 nan 0.000 0.575 943 S N 0.191 115.918 115.700 0.045 0.000 2.665 943 S HA 0.279 4.749 4.470 0.001 0.000 0.240 943 S C 0.802 175.428 174.600 0.042 0.000 1.081 943 S CA 1.140 59.366 58.200 0.043 0.000 0.887 943 S CB -0.037 63.201 63.200 0.062 0.000 0.805 943 S HN 0.719 nan 8.310 nan 0.000 0.486 944 E N 1.565 121.795 120.200 0.050 0.000 2.415 944 E HA 0.198 4.549 4.350 0.001 0.000 0.262 944 E C -1.065 175.550 176.600 0.025 0.000 1.038 944 E CA -0.119 56.315 56.400 0.056 0.000 0.921 944 E CB 0.868 30.610 29.700 0.071 0.000 0.950 944 E HN 0.148 nan 8.360 nan 0.000 0.438 945 V N 3.874 123.800 119.914 0.020 0.000 2.498 945 V HA 0.195 4.315 4.120 0.001 0.000 0.279 945 V C 0.298 176.318 176.094 -0.124 0.000 1.048 945 V CA -0.207 62.041 62.300 -0.088 0.000 0.967 945 V CB 1.240 33.005 31.823 -0.097 0.000 0.988 945 V HN 0.827 nan 8.190 nan 0.000 0.473 946 T N 2.000 116.407 114.554 -0.246 0.000 2.856 946 T HA 0.728 5.079 4.350 0.001 0.000 0.283 946 T C -0.928 173.530 174.700 -0.403 0.000 1.008 946 T CA -0.512 61.495 62.100 -0.154 0.000 0.997 946 T CB 1.279 70.126 68.868 -0.034 0.000 0.992 946 T HN 0.184 nan 8.240 nan 0.000 0.454 947 F N 1.401 121.323 119.950 -0.046 0.000 2.347 947 F HA 0.491 5.018 4.527 0.001 0.000 0.366 947 F C 0.541 176.289 175.800 -0.087 0.000 1.107 947 F CA -0.756 57.158 58.000 -0.143 0.000 1.058 947 F CB 1.747 40.633 39.000 -0.190 0.000 1.236 947 F HN 0.564 nan 8.300 nan 0.000 0.456 948 T N 4.294 118.858 114.554 0.017 0.000 2.809 948 T HA 0.369 4.720 4.350 0.001 0.000 0.284 948 T C -2.786 171.947 174.700 0.055 0.000 0.992 948 T CA -1.903 60.226 62.100 0.049 0.000 0.957 948 T CB 1.715 70.604 68.868 0.035 0.000 0.942 948 T HN 0.089 nan 8.240 nan 0.000 0.439 949 P HA 0.098 nan 4.420 nan 0.000 0.271 949 P C 1.445 178.821 177.300 0.126 0.000 1.220 949 P CA -0.516 62.635 63.100 0.085 0.000 0.768 949 P CB 0.507 32.261 31.700 0.089 0.000 0.848 950 V N 2.888 122.882 119.914 0.133 0.000 2.278 950 V HA -0.338 3.782 4.120 0.001 0.000 0.251 950 V C 2.012 178.256 176.094 0.250 0.000 1.062 950 V CA 1.631 64.045 62.300 0.190 0.000 1.038 950 V CB -1.478 30.398 31.823 0.088 0.000 0.646 950 V HN 0.473 nan 8.190 nan 0.000 0.447 951 K N 0.063 120.592 120.400 0.216 0.000 2.059 951 K HA -0.261 4.060 4.320 0.001 0.000 0.212 951 K C 2.435 179.172 176.600 0.228 0.000 1.050 951 K CA 2.311 58.748 56.287 0.250 0.000 0.927 951 K CB -0.324 32.268 32.500 0.153 0.000 0.714 951 K HN 0.662 nan 8.250 nan 0.000 0.447 952 Q N 0.639 120.543 119.800 0.174 0.000 2.046 952 Q HA -0.095 4.246 4.340 0.001 0.000 0.200 952 Q C 2.308 178.400 176.000 0.155 0.000 0.975 952 Q CA 1.192 57.080 55.803 0.141 0.000 0.836 952 Q CB -0.674 28.129 28.738 0.109 0.000 0.896 952 Q HN 0.347 nan 8.270 nan 0.000 0.428 953 L N -1.071 120.271 121.223 0.199 0.000 2.131 953 L HA -0.130 4.211 4.340 0.001 0.000 0.210 953 L C 2.186 179.225 176.870 0.281 0.000 1.092 953 L CA 0.930 55.908 54.840 0.230 0.000 0.759 953 L CB -0.329 41.934 42.059 0.339 0.000 0.903 953 L HN 0.241 nan 8.230 nan 0.000 0.435 954 W N 1.198 122.538 121.300 0.067 0.000 2.467 954 W HA -0.183 4.478 4.660 0.001 0.000 0.275 954 W C 2.461 178.923 176.519 -0.095 0.000 1.239 954 W CA 1.569 58.835 57.345 -0.133 0.000 1.266 954 W CB 0.168 29.199 29.460 -0.714 0.000 1.112 954 W HN 0.300 nan 8.180 nan 0.000 0.576 955 E N -1.250 119.023 120.200 0.122 0.000 2.112 955 E HA -0.151 4.199 4.350 0.001 0.000 0.190 955 E C 1.722 178.310 176.600 -0.019 0.000 0.979 955 E CA 1.386 57.816 56.400 0.051 0.000 0.814 955 E CB -1.182 28.571 29.700 0.089 0.000 0.762 955 E HN 0.224 nan 8.360 nan 0.000 0.460 956 N N 0.828 119.528 118.700 0.000 0.000 2.120 956 N HA -0.130 4.611 4.740 0.001 0.000 0.188 956 N C 0.726 176.197 175.510 -0.065 0.000 1.024 956 N CA 1.209 54.247 53.050 -0.020 0.000 0.852 956 N CB -0.094 38.396 38.487 0.004 0.000 1.003 956 N HN 0.468 nan 8.380 nan 0.000 0.424 957 E N 0.905 121.046 120.200 -0.098 0.000 2.418 957 E HA 0.106 4.456 4.350 0.001 0.000 0.261 957 E C 0.232 176.733 176.600 -0.165 0.000 1.070 957 E CA 0.047 56.376 56.400 -0.119 0.000 0.931 957 E CB -0.022 29.629 29.700 -0.081 0.000 0.954 957 E HN 0.381 nan 8.360 nan 0.000 0.439 958 T N -3.840 110.641 114.554 -0.120 0.000 2.943 958 T HA 0.535 4.885 4.350 0.001 0.000 0.284 958 T C 1.137 175.719 174.700 -0.197 0.000 1.015 958 T CA 0.407 62.432 62.100 -0.126 0.000 1.042 958 T CB 1.120 69.964 68.868 -0.040 0.000 1.055 958 T HN 1.039 nan 8.240 nan 0.000 0.500 959 H N -0.861 118.060 119.070 -0.249 0.000 2.567 959 H HA 0.044 4.601 4.556 0.001 0.000 0.276 959 H C 1.442 176.463 175.328 -0.513 0.000 1.016 959 H CA 1.116 56.956 56.048 -0.346 0.000 1.186 959 H CB -0.747 28.812 29.762 -0.338 0.000 1.351 959 H HN 0.840 nan 8.280 nan 0.000 0.605 960 H N 0.994 119.867 119.070 -0.328 0.000 2.660 960 H HA 0.133 4.690 4.556 0.001 0.000 0.310 960 H C 0.272 175.338 175.328 -0.437 0.000 1.080 960 H CA 0.060 55.840 56.048 -0.446 0.000 1.145 960 H CB -0.131 29.447 29.762 -0.306 0.000 1.432 960 H HN 0.523 nan 8.280 nan 0.000 0.542 961 K N -1.640 118.451 120.400 -0.514 0.000 3.077 961 K HA -0.281 4.039 4.320 0.001 0.000 0.264 961 K C 0.751 176.953 176.600 -0.664 0.000 1.008 961 K CA 0.845 56.523 56.287 -1.015 0.000 0.740 961 K CB -2.633 29.345 32.500 -0.870 0.000 1.273 961 K HN 0.609 nan 8.250 nan 0.000 0.477 968 V N 2.732 122.490 119.914 -0.259 0.000 2.432 968 V HA 0.608 4.729 4.120 0.001 0.000 0.275 968 V C -0.887 174.920 176.094 -0.479 0.000 1.043 968 V CA -0.567 61.627 62.300 -0.177 0.000 0.925 968 V CB 0.904 32.755 31.823 0.047 0.000 0.985 968 V HN 0.639 nan 8.190 nan 0.000 0.466 969 H N 4.101 123.091 119.070 -0.133 0.000 2.609 969 H HA 0.313 4.870 4.556 0.001 0.000 0.344 969 H C -0.674 174.627 175.328 -0.045 0.000 1.040 969 H CA -1.027 54.833 56.048 -0.314 0.000 1.216 969 H CB 1.739 31.334 29.762 -0.280 0.000 1.529 969 H HN 0.974 nan 8.280 nan 0.000 0.519 970 W N 1.741 123.190 121.300 0.248 0.000 2.357 970 W HA 0.439 5.100 4.660 0.001 0.000 0.386 970 W C 0.873 177.443 176.519 0.087 0.000 0.889 970 W CA 0.029 57.473 57.345 0.164 0.000 2.425 970 W CB -0.812 28.780 29.460 0.220 0.000 1.244 970 W HN 0.633 nan 8.180 nan 0.000 0.646 971 E N 0.987 121.128 120.200 -0.097 0.000 2.070 971 E HA -0.336 4.014 4.350 0.001 0.000 0.197 971 E C 1.760 178.341 176.600 -0.032 0.000 1.004 971 E CA 2.286 58.592 56.400 -0.158 0.000 0.805 971 E CB -0.584 28.938 29.700 -0.298 0.000 0.744 971 E HN 0.451 nan 8.360 nan 0.000 0.451 972 Q N -0.463 119.343 119.800 0.010 0.000 2.364 972 Q HA 0.050 4.391 4.340 0.001 0.000 0.209 972 Q C 2.095 178.111 176.000 0.028 0.000 0.977 972 Q CA 0.822 56.635 55.803 0.016 0.000 0.885 972 Q CB -0.364 28.391 28.738 0.029 0.000 0.941 972 Q HN 0.695 nan 8.270 nan 0.000 0.464 973 L N -0.372 120.897 121.223 0.076 0.000 2.027 973 L HA -0.180 4.161 4.340 0.001 0.000 0.206 973 L C 1.927 178.797 176.870 0.001 0.000 1.074 973 L CA 1.057 55.917 54.840 0.034 0.000 0.745 973 L CB -0.471 41.611 42.059 0.037 0.000 0.898 973 L HN 0.295 nan 8.230 nan 0.000 0.433 974 N N 0.247 118.966 118.700 0.031 0.000 2.188 974 N HA -0.119 4.621 4.740 0.001 0.000 0.184 974 N C 1.913 177.385 175.510 -0.062 0.000 1.018 974 N CA 1.306 54.347 53.050 -0.015 0.000 0.858 974 N CB -0.059 38.431 38.487 0.005 0.000 0.989 974 N HN 0.282 nan 8.380 nan 0.000 0.426 975 I N 0.609 121.142 120.570 -0.062 0.000 2.163 975 I HA -0.212 3.959 4.170 0.001 0.000 0.240 975 I C 2.272 178.318 176.117 -0.119 0.000 1.081 975 I CA 0.742 61.990 61.300 -0.088 0.000 1.353 975 I CB -0.270 37.690 38.000 -0.067 0.000 1.054 975 I HN -0.130 nan 8.210 nan 0.000 0.407 976 V N 0.714 120.568 119.914 -0.099 0.000 2.295 976 V HA -0.286 3.835 4.120 0.001 0.000 0.246 976 V C 2.664 178.673 176.094 -0.141 0.000 1.049 976 V CA 2.188 64.415 62.300 -0.123 0.000 1.024 976 V CB -0.965 30.796 31.823 -0.104 0.000 0.648 976 V HN 0.639 nan 8.190 nan 0.000 0.447 977 S N 0.217 115.847 115.700 -0.117 0.000 2.370 977 S HA -0.280 4.191 4.470 0.001 0.000 0.226 977 S C 1.672 176.196 174.600 -0.127 0.000 1.033 977 S CA 1.850 59.980 58.200 -0.117 0.000 1.011 977 S CB -0.631 62.510 63.200 -0.099 0.000 0.852 977 S HN 0.573 nan 8.310 nan 0.000 0.457 978 D N 1.288 121.605 120.400 -0.137 0.000 2.178 978 D HA 0.065 4.705 4.640 0.001 0.000 0.202 978 D C 1.854 178.041 176.300 -0.187 0.000 0.974 978 D CA 0.625 54.539 54.000 -0.145 0.000 0.841 978 D CB -0.388 40.327 40.800 -0.142 0.000 0.953 978 D HN 0.401 nan 8.370 nan 0.000 0.478 979 L N 0.125 121.183 121.223 -0.275 0.000 2.027 979 L HA -0.087 4.254 4.340 0.001 0.000 0.206 979 L C 2.160 178.890 176.870 -0.233 0.000 1.074 979 L CA 0.946 55.501 54.840 -0.475 0.000 0.745 979 L CB -0.034 41.690 42.059 -0.559 0.000 0.898 979 L HN -0.005 nan 8.230 nan 0.000 0.433 980 L N -0.710 120.417 121.223 -0.160 0.000 2.217 980 L HA -0.035 4.306 4.340 0.001 0.000 0.211 980 L C 1.595 178.417 176.870 -0.079 0.000 1.107 980 L CA 0.401 55.156 54.840 -0.142 0.000 0.783 980 L CB -0.760 41.180 42.059 -0.198 0.000 0.919 980 L HN 0.371 nan 8.230 nan 0.000 0.442 981 S N -0.338 115.370 115.700 0.014 0.000 2.655 981 S HA 0.279 4.749 4.470 0.001 0.000 0.265 981 S C 1.301 176.126 174.600 0.376 0.000 1.240 981 S CA -0.144 58.136 58.200 0.134 0.000 0.986 981 S CB 1.308 64.506 63.200 -0.003 0.000 0.985 981 S HN 0.160 nan 8.310 nan 0.000 0.562 982 G N -0.017 108.993 108.800 0.349 0.000 2.471 982 G HA2 -0.156 3.804 3.960 0.001 0.000 0.219 982 G HA3 -0.156 3.804 3.960 0.001 0.000 0.219 982 G C 1.342 176.220 174.900 -0.036 0.000 1.125 982 G CA 0.627 45.746 45.100 0.032 0.000 0.775 982 G HN 0.822 nan 8.290 nan 0.000 0.548 983 R N -0.176 120.305 120.500 -0.032 0.000 2.206 983 R HA -0.176 4.165 4.340 0.001 0.000 0.240 983 R C 2.401 178.667 176.300 -0.057 0.000 1.117 983 R CA 2.019 58.079 56.100 -0.067 0.000 0.915 983 R CB -0.645 29.594 30.300 -0.100 0.000 0.888 983 R HN 0.363 nan 8.270 nan 0.000 0.432 984 L N 0.157 121.333 121.223 -0.078 0.000 2.127 984 L HA -0.186 4.154 4.340 0.001 0.000 0.211 984 L C 2.300 179.250 176.870 0.135 0.000 1.089 984 L CA 1.706 56.522 54.840 -0.041 0.000 0.757 984 L CB -0.133 41.762 42.059 -0.274 0.000 0.899 984 L HN 0.400 nan 8.230 nan 0.000 0.434 985 S N -0.320 115.446 115.700 0.111 0.000 2.387 985 S HA -0.094 4.376 4.470 0.001 0.000 0.226 985 S C 1.757 176.339 174.600 -0.030 0.000 1.026 985 S CA 0.818 59.073 58.200 0.092 0.000 0.972 985 S CB -0.135 63.038 63.200 -0.044 0.000 0.814 985 S HN 0.220 nan 8.310 nan 0.000 0.477 986 I N 1.600 122.134 120.570 -0.060 0.000 2.353 986 I HA 0.007 4.178 4.170 0.001 0.000 0.248 986 I C 2.412 178.508 176.117 -0.034 0.000 1.119 986 I CA 1.033 62.296 61.300 -0.062 0.000 1.417 986 I CB -0.238 37.722 38.000 -0.066 0.000 1.078 986 I HN 0.086 nan 8.210 nan 0.000 0.421 987 R N -0.352 120.136 120.500 -0.019 0.000 2.237 987 R HA -0.067 4.274 4.340 0.001 0.000 0.219 987 R C 1.580 177.878 176.300 -0.003 0.000 1.080 987 R CA 1.670 57.763 56.100 -0.011 0.000 0.995 987 R CB -0.227 30.066 30.300 -0.012 0.000 0.875 987 R HN 0.517 nan 8.270 nan 0.000 0.462 988 T N -4.625 109.930 114.554 0.002 0.000 3.004 988 T HA 0.168 4.519 4.350 0.001 0.000 0.266 988 T C 0.314 174.986 174.700 -0.047 0.000 0.986 988 T CA -0.024 62.067 62.100 -0.015 0.000 0.902 988 T CB 0.504 69.370 68.868 -0.002 0.000 1.118 988 T HN 0.030 nan 8.240 nan 0.000 0.522 989 T N 0.000 114.523 114.554 -0.051 0.000 3.816 989 T HA 0.000 4.351 4.350 0.001 0.000 0.228 989 T CA 0.000 62.059 62.100 -0.068 0.000 1.349 989 T CB 0.000 68.836 68.868 -0.054 0.000 0.612 989 T HN 0.000 nan 8.240 nan 0.000 0.658