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 2ja6_1_B DATA FIRST_RESID 18 DATA SEQUENCE FEDESAPITA EDSWAVISAF FREKGLVSQQ LDSFNQFVDY TLQDIICEDS DATA SEQUENCE TLIXXXXXXX XXXXXXXXXX XXISFGKIYV TKPMVNESDG VTHALYPQEA DATA SEQUENCE RLRNLTYSSG LFVDVKXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXKVFI DATA SEQUENCE GRLPIMLRSK NCYLSEATES DLYKLKECPF DMGGYFIING SEKVLIAQER DATA SEQUENCE SAGNIVQVFK KAAPSPISHV AEIRSALEKG SRFISTLQVK LYGREGSSAR DATA SEQUENCE TIKATLPYIK QDIPIVIIFR ALGIIPDGEI LEHICYDVND WQMLEMLKPC DATA SEQUENCE VEDGFVIQDR ETALDFIGRR GTALGIKKEK RIQYAKDILQ KEFLPHITQL DATA SEQUENCE EGFESRKAFF LGYMINRLLL CALDRKDQDD RDHFGKKRLD LAGPLLAQLF DATA SEQUENCE KTLFKKLTKD IFRYMQRTVE XXXXXXXXLA INAKTITSGL KYALATGNWG DATA SEQUENCE EQKKAMSSRA GVSQVLNRYT YSSTLSHLRR TNTPIXXXXX XXKPRQLHNT DATA SEQUENCE HWGLVCPAET PEGQACGLVK NLSLMSCISV GTDPMPIITF LSEWGMEPLE DATA SEQUENCE DYVPHQSPDA TRVFVNGVWH GVHRNPARLM ETLRTLRRKG DINPEVSMIR DATA SEQUENCE DIREKELKIF TDAGRVYRPL FIVEDDESLG HKELKVRKGH IAKLMATEYQ DATA SEQUENCE DXXXXXXXXX EYTWSSLLNE GLVEYIDAEE EESILIAMQP EDLEPAEAXX DATA SEQUENCE XXXXDVDPAK RIRVSHHATT FTHCEIHPSM ILGVAASIIP FPDHNQSPRN DATA SEQUENCE TYQSAMGKQA MGVFLTNYNV RMDTMANILY YPQKPLGTTR AMEYLKFREL DATA SEQUENCE PAGQNAIVAI ACYSGYNQED SMIMNQSSID RGLFRSLFFR SYMDQEKKYG DATA SEQUENCE MSITETFEKP QRTNTLRMKH GTYDKLDDDG LIAPGVRVSG EDVIIGKTTP DATA SEQUENCE ISXXXXXXXX XXXXXSKRDA STPLRSTENG IVDQVLVTTN QDGLKFVKVR DATA SEQUENCE VRTTKIPQIG DKFASRHGQK GTIGITYRRE DMPFTAEGIV PDLIINPHAI DATA SEQUENCE PSRMTVAHLI ECLLSKVAAL SGNEGDASPF TDITVEGISK LLREHGYQSR DATA SEQUENCE GFEVMYNGHT GKKLMAQIFF GPTYYQRLRH MVDDKIHARA RGPMQVLTRQ DATA SEQUENCE PVEGRSRDGG LRFGEMERDC MIAHGAASFL KERLMEASDA FRVHICGIcG DATA SEQUENCE LMTVIAKLNH NQFECKGcDN KIDIYQIHIP YAAKLLFQEL MAMNITPRLY DATA SEQUENCE TDRSRDF 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 18 F HA 0.000 nan 4.527 nan 0.000 0.279 18 F C 0.000 175.786 175.800 -0.023 0.000 0.967 18 F CA 0.000 57.989 58.000 -0.018 0.000 1.383 18 F CB 0.000 38.991 39.000 -0.014 0.000 1.145 19 E N -0.065 120.092 120.200 -0.073 0.000 2.707 19 E HA -0.394 3.956 4.350 0.001 0.000 0.265 19 E C 1.031 177.538 176.600 -0.154 0.000 1.134 19 E CA 2.387 58.715 56.400 -0.119 0.000 1.381 19 E CB -0.241 29.363 29.700 -0.160 0.000 1.212 19 E HN 0.486 nan 8.360 nan 0.000 0.419 20 D N 1.025 121.285 120.400 -0.233 0.000 2.160 20 D HA -0.156 4.484 4.640 0.001 0.000 0.189 20 D C 0.449 176.675 176.300 -0.125 0.000 1.003 20 D CA 1.385 55.270 54.000 -0.191 0.000 0.846 20 D CB -0.459 40.228 40.800 -0.189 0.000 0.949 20 D HN 0.451 nan 8.370 nan 0.000 0.446 21 E N 1.209 121.346 120.200 -0.106 0.000 2.366 21 E HA 0.209 4.560 4.350 0.001 0.000 0.266 21 E C 0.173 176.711 176.600 -0.103 0.000 1.015 21 E CA 0.087 56.418 56.400 -0.115 0.000 0.906 21 E CB 0.252 29.895 29.700 -0.094 0.000 0.979 21 E HN 0.256 nan 8.360 nan 0.000 0.443 22 S N 1.006 116.636 115.700 -0.117 0.000 3.416 22 S HA -0.038 4.433 4.470 0.001 0.000 0.534 22 S C -0.441 174.121 174.600 -0.063 0.000 0.664 22 S CA 0.075 58.228 58.200 -0.080 0.000 1.377 22 S CB -1.552 61.610 63.200 -0.063 0.000 1.037 22 S HN 1.051 nan 8.310 nan 0.000 0.845 23 A N 3.822 126.608 122.820 -0.057 0.000 2.536 23 A HA 0.992 5.313 4.320 0.001 0.000 0.293 23 A C -2.917 174.641 177.584 -0.042 0.000 1.119 23 A CA -0.857 51.151 52.037 -0.049 0.000 0.654 23 A CB 0.519 19.481 19.000 -0.063 0.000 1.291 23 A HN 0.693 nan 8.150 nan 0.000 0.439 24 P HA 0.531 nan 4.420 nan 0.000 0.275 24 P C -0.883 176.398 177.300 -0.031 0.000 1.270 24 P CA 0.029 63.111 63.100 -0.031 0.000 0.791 24 P CB 0.530 32.222 31.700 -0.015 0.000 1.089 25 I N 0.089 120.641 120.570 -0.030 0.000 2.493 25 I HA 0.165 4.335 4.170 0.001 0.000 0.279 25 I C 1.134 177.260 176.117 0.015 0.000 1.045 25 I CA -0.584 60.708 61.300 -0.013 0.000 1.106 25 I CB 1.515 39.485 38.000 -0.049 0.000 1.216 25 I HN 0.310 nan 8.210 nan 0.000 0.459 26 T N 1.899 116.472 114.554 0.031 0.000 2.681 26 T HA 0.321 4.672 4.350 0.001 0.000 0.333 26 T C 1.422 176.165 174.700 0.070 0.000 1.049 26 T CA 0.157 62.284 62.100 0.045 0.000 1.002 26 T CB 0.958 69.857 68.868 0.052 0.000 1.161 26 T HN 0.546 nan 8.240 nan 0.000 0.519 27 A N 0.234 123.103 122.820 0.083 0.000 1.828 27 A HA -0.039 4.282 4.320 0.001 0.000 0.215 27 A C 2.235 179.890 177.584 0.119 0.000 1.203 27 A CA 1.831 53.930 52.037 0.104 0.000 0.614 27 A CB -1.565 17.517 19.000 0.136 0.000 0.844 27 A HN 0.991 nan 8.150 nan 0.000 0.445 28 E N 0.476 120.783 120.200 0.178 0.000 2.370 28 E HA -0.249 4.101 4.350 0.001 0.000 0.205 28 E C 1.320 178.070 176.600 0.250 0.000 1.037 28 E CA 1.782 58.340 56.400 0.264 0.000 0.845 28 E CB -0.299 29.531 29.700 0.217 0.000 0.753 28 E HN 0.622 nan 8.360 nan 0.000 0.507 29 D N -0.814 119.686 120.400 0.167 0.000 2.077 29 D HA -0.111 4.529 4.640 0.001 0.000 0.196 29 D C 1.884 178.295 176.300 0.184 0.000 0.986 29 D CA 1.502 55.604 54.000 0.170 0.000 0.829 29 D CB -0.385 40.490 40.800 0.125 0.000 0.983 29 D HN 0.167 nan 8.370 nan 0.000 0.453 30 S N 0.925 116.693 115.700 0.112 0.000 2.444 30 S HA -0.292 4.179 4.470 0.001 0.000 0.274 30 S C 1.762 176.386 174.600 0.041 0.000 1.130 30 S CA 1.907 60.130 58.200 0.038 0.000 1.243 30 S CB -1.306 61.758 63.200 -0.226 0.000 1.166 30 S HN 0.455 nan 8.310 nan 0.000 0.439 31 W N 1.626 123.021 121.300 0.158 0.000 2.290 31 W HA -0.273 4.387 4.660 0.001 0.000 0.323 31 W C 2.926 179.577 176.519 0.220 0.000 1.260 31 W CA 0.865 58.307 57.345 0.162 0.000 1.266 31 W CB -0.809 28.741 29.460 0.150 0.000 1.149 31 W HN 0.446 nan 8.180 nan 0.000 0.482 32 A N 0.131 123.218 122.820 0.445 0.000 1.927 32 A HA -0.278 4.042 4.320 0.001 0.000 0.220 32 A C 1.921 179.712 177.584 0.344 0.000 1.185 32 A CA 2.768 55.018 52.037 0.355 0.000 0.639 32 A CB -1.281 17.886 19.000 0.277 0.000 0.820 32 A HN 0.166 nan 8.150 nan 0.000 0.451 33 V N 0.253 120.365 119.914 0.331 0.000 2.261 33 V HA -0.301 3.819 4.120 0.001 0.000 0.246 33 V C 2.432 178.745 176.094 0.366 0.000 1.047 33 V CA 2.084 64.600 62.300 0.360 0.000 1.015 33 V CB -0.819 31.250 31.823 0.409 0.000 0.642 33 V HN 0.594 nan 8.190 nan 0.000 0.446 34 I N -0.025 120.713 120.570 0.280 0.000 2.127 34 I HA -0.278 3.892 4.170 0.001 0.000 0.241 34 I C 2.730 178.995 176.117 0.246 0.000 1.075 34 I CA 1.791 63.191 61.300 0.166 0.000 1.334 34 I CB -0.656 37.456 38.000 0.186 0.000 1.040 34 I HN 0.268 nan 8.210 nan 0.000 0.405 35 S N 0.594 116.587 115.700 0.489 0.000 2.378 35 S HA -0.332 4.138 4.470 0.001 0.000 0.229 35 S C 2.218 177.074 174.600 0.427 0.000 1.052 35 S CA 1.926 60.509 58.200 0.639 0.000 1.084 35 S CB -0.490 63.007 63.200 0.494 0.000 0.950 35 S HN 0.594 nan 8.310 nan 0.000 0.440 36 A N 0.889 123.921 122.820 0.353 0.000 1.948 36 A HA -0.138 4.183 4.320 0.001 0.000 0.220 36 A C 1.878 179.634 177.584 0.287 0.000 1.177 36 A CA 1.693 53.927 52.037 0.328 0.000 0.636 36 A CB -0.862 18.355 19.000 0.362 0.000 0.815 36 A HN 0.521 nan 8.150 nan 0.000 0.449 37 F N 0.219 120.087 119.950 -0.137 0.000 2.025 37 F HA -0.187 4.341 4.527 0.001 0.000 0.297 37 F C 1.942 177.439 175.800 -0.504 0.000 1.132 37 F CA 1.396 58.956 58.000 -0.733 0.000 1.191 37 F CB -1.254 37.036 39.000 -1.183 0.000 0.963 37 F HN 0.282 nan 8.300 nan 0.000 0.481 38 F N 0.272 120.145 119.950 -0.128 0.000 2.365 38 F HA -0.074 4.453 4.527 0.001 0.000 0.300 38 F C 2.449 178.250 175.800 0.002 0.000 1.090 38 F CA 0.711 58.603 58.000 -0.180 0.000 1.408 38 F CB -0.521 38.462 39.000 -0.029 0.000 1.060 38 F HN -0.100 nan 8.300 nan 0.000 0.534 39 R N 0.440 121.085 120.500 0.243 0.000 2.094 39 R HA -0.233 4.108 4.340 0.001 0.000 0.239 39 R C 2.165 178.557 176.300 0.154 0.000 1.137 39 R CA 2.076 58.298 56.100 0.202 0.000 0.943 39 R CB -0.520 29.906 30.300 0.209 0.000 0.850 39 R HN 0.376 nan 8.270 nan 0.000 0.433 40 E N 0.319 120.610 120.200 0.151 0.000 2.140 40 E HA -0.086 4.264 4.350 0.001 0.000 0.191 40 E C 1.508 178.168 176.600 0.100 0.000 0.973 40 E CA 0.557 57.043 56.400 0.144 0.000 0.829 40 E CB 0.366 30.191 29.700 0.208 0.000 0.781 40 E HN 0.141 nan 8.360 nan 0.000 0.466 41 K N 0.099 120.519 120.400 0.032 0.000 2.017 41 K HA 0.157 4.477 4.320 0.001 0.000 0.207 41 K C 0.897 177.487 176.600 -0.015 0.000 1.035 41 K CA 1.031 57.299 56.287 -0.032 0.000 0.947 41 K CB -0.230 32.128 32.500 -0.236 0.000 0.749 41 K HN 0.237 nan 8.250 nan 0.000 0.443 42 G N 0.463 109.265 108.800 0.003 0.000 2.675 42 G HA2 -0.179 3.782 3.960 0.001 0.000 0.686 42 G HA3 -0.179 3.782 3.960 0.001 0.000 0.686 42 G C 0.307 175.228 174.900 0.035 0.000 1.215 42 G CA -0.495 44.645 45.100 0.066 0.000 0.777 42 G HN 0.150 nan 8.290 nan 0.000 0.638 43 L N 0.432 121.658 121.223 0.006 0.000 2.456 43 L HA -0.008 4.332 4.340 0.001 0.000 0.224 43 L C 2.614 179.463 176.870 -0.035 0.000 1.148 43 L CA 1.529 56.342 54.840 -0.045 0.000 0.825 43 L CB -0.480 41.515 42.059 -0.105 0.000 0.937 43 L HN 0.796 nan 8.230 nan 0.000 0.450 44 V N -5.146 114.758 119.914 -0.016 0.000 3.621 44 V HA 0.084 4.204 4.120 0.001 0.000 0.285 44 V C 2.131 178.218 176.094 -0.012 0.000 1.346 44 V CA 0.312 62.604 62.300 -0.013 0.000 1.104 44 V CB -0.119 31.705 31.823 0.002 0.000 0.913 44 V HN 0.452 nan 8.190 nan 0.000 0.432 45 S N 3.107 118.796 115.700 -0.018 0.000 2.093 45 S HA -0.556 3.915 4.470 0.001 0.000 0.478 45 S C 1.924 176.525 174.600 0.002 0.000 0.965 45 S CA 3.156 61.350 58.200 -0.010 0.000 2.887 45 S CB -1.622 61.553 63.200 -0.042 0.000 2.067 45 S HN 0.943 nan 8.310 nan 0.000 0.521 46 Q N 0.450 120.237 119.800 -0.021 0.000 2.175 46 Q HA -0.398 3.942 4.340 0.001 0.000 0.234 46 Q C 2.137 178.153 176.000 0.027 0.000 1.081 46 Q CA 2.077 57.873 55.803 -0.012 0.000 0.940 46 Q CB -1.148 27.567 28.738 -0.037 0.000 1.032 46 Q HN 0.690 nan 8.270 nan 0.000 0.478 47 Q N 0.640 120.454 119.800 0.023 0.000 2.118 47 Q HA -0.177 4.164 4.340 0.001 0.000 0.211 47 Q C 2.309 178.356 176.000 0.078 0.000 0.998 47 Q CA 2.000 57.832 55.803 0.048 0.000 0.872 47 Q CB -0.461 28.290 28.738 0.022 0.000 0.925 47 Q HN 0.540 nan 8.270 nan 0.000 0.414 48 L N 0.613 121.870 121.223 0.055 0.000 1.913 48 L HA -0.213 4.128 4.340 0.001 0.000 0.217 48 L C 2.115 179.061 176.870 0.125 0.000 1.086 48 L CA 1.310 56.200 54.840 0.082 0.000 0.772 48 L CB -0.961 41.127 42.059 0.048 0.000 0.887 48 L HN 0.159 nan 8.230 nan 0.000 0.432 49 D N -0.096 120.355 120.400 0.084 0.000 2.248 49 D HA -0.294 4.346 4.640 0.001 0.000 0.189 49 D C 2.223 178.574 176.300 0.085 0.000 1.011 49 D CA 2.156 56.199 54.000 0.072 0.000 0.868 49 D CB -0.347 40.493 40.800 0.066 0.000 0.931 49 D HN 0.281 nan 8.370 nan 0.000 0.449 50 S N -0.656 115.110 115.700 0.110 0.000 2.370 50 S HA -0.201 4.270 4.470 0.001 0.000 0.226 50 S C 1.799 176.533 174.600 0.223 0.000 1.033 50 S CA 0.934 59.216 58.200 0.136 0.000 1.011 50 S CB -0.402 62.874 63.200 0.126 0.000 0.852 50 S HN 0.240 nan 8.310 nan 0.000 0.457 51 F N 3.074 123.078 119.950 0.091 0.000 2.113 51 F HA -0.016 4.511 4.527 0.001 0.000 0.297 51 F C 2.058 177.950 175.800 0.153 0.000 1.103 51 F CA 1.618 59.702 58.000 0.141 0.000 1.248 51 F CB -0.956 38.087 39.000 0.072 0.000 0.999 51 F HN 0.230 nan 8.300 nan 0.000 0.475 52 N N 0.602 119.325 118.700 0.038 0.000 2.000 52 N HA -0.291 4.449 4.740 0.001 0.000 0.198 52 N C 1.884 177.309 175.510 -0.141 0.000 1.057 52 N CA 1.837 54.826 53.050 -0.102 0.000 0.858 52 N CB -1.146 37.323 38.487 -0.030 0.000 1.057 52 N HN 0.331 nan 8.380 nan 0.000 0.423 53 Q N 0.155 119.892 119.800 -0.104 0.000 2.325 53 Q HA -0.136 4.204 4.340 0.001 0.000 0.211 53 Q C 1.758 177.718 176.000 -0.067 0.000 0.988 53 Q CA 1.137 56.833 55.803 -0.178 0.000 0.887 53 Q CB -0.462 28.198 28.738 -0.129 0.000 0.915 53 Q HN 0.446 nan 8.270 nan 0.000 0.440 54 F N -1.162 118.704 119.950 -0.140 0.000 2.098 54 F HA -0.081 4.446 4.527 0.001 0.000 0.294 54 F C 1.647 177.345 175.800 -0.170 0.000 1.107 54 F CA 1.315 59.248 58.000 -0.111 0.000 1.234 54 F CB -0.629 38.319 39.000 -0.087 0.000 1.002 54 F HN -0.042 nan 8.300 nan 0.000 0.472 55 V N 1.235 120.844 119.914 -0.507 0.000 2.216 55 V HA -0.301 3.819 4.120 0.001 0.000 0.242 55 V C 2.251 178.130 176.094 -0.358 0.000 1.042 55 V CA 2.194 64.142 62.300 -0.588 0.000 0.991 55 V CB -0.877 30.657 31.823 -0.483 0.000 0.633 55 V HN 0.276 nan 8.190 nan 0.000 0.449 56 D N -0.860 119.433 120.400 -0.178 0.000 2.321 56 D HA -0.228 4.413 4.640 0.001 0.000 0.194 56 D C 1.962 178.369 176.300 0.178 0.000 1.013 56 D CA 2.457 56.483 54.000 0.043 0.000 0.863 56 D CB -0.420 40.501 40.800 0.201 0.000 1.011 56 D HN 0.490 nan 8.370 nan 0.000 0.457 57 Y N 0.784 120.988 120.300 -0.159 0.000 2.280 57 Y HA 0.005 4.556 4.550 0.001 0.000 0.267 57 Y C 2.871 178.674 175.900 -0.162 0.000 1.070 57 Y CA 0.659 58.684 58.100 -0.125 0.000 1.079 57 Y CB -1.340 37.081 38.460 -0.065 0.000 1.026 57 Y HN -0.067 nan 8.280 nan 0.000 0.479 58 T N 1.775 116.362 114.554 0.055 0.000 2.656 58 T HA -0.315 4.035 4.350 0.001 0.000 0.262 58 T C 1.995 176.588 174.700 -0.178 0.000 1.070 58 T CA 2.245 64.326 62.100 -0.032 0.000 1.160 58 T CB -0.984 67.907 68.868 0.039 0.000 0.855 58 T HN 0.176 nan 8.240 nan 0.000 0.456 59 L N 0.866 121.792 121.223 -0.495 0.000 2.043 59 L HA -0.158 4.183 4.340 0.001 0.000 0.212 59 L C 2.584 179.338 176.870 -0.193 0.000 1.075 59 L CA 2.013 56.544 54.840 -0.515 0.000 0.752 59 L CB -0.847 40.755 42.059 -0.762 0.000 0.891 59 L HN 0.252 nan 8.230 nan 0.000 0.432 60 Q N -0.157 119.539 119.800 -0.174 0.000 1.967 60 Q HA -0.238 4.102 4.340 0.001 0.000 0.202 60 Q C 1.771 177.723 176.000 -0.080 0.000 0.985 60 Q CA 2.339 58.070 55.803 -0.119 0.000 0.839 60 Q CB -0.466 28.201 28.738 -0.118 0.000 0.906 60 Q HN 0.538 nan 8.270 nan 0.000 0.423 61 D N -0.490 119.878 120.400 -0.053 0.000 2.362 61 D HA -0.165 4.475 4.640 0.001 0.000 0.215 61 D C 1.342 177.636 176.300 -0.009 0.000 0.978 61 D CA 1.101 55.090 54.000 -0.018 0.000 0.921 61 D CB -0.024 40.782 40.800 0.011 0.000 0.895 61 D HN 0.401 nan 8.370 nan 0.000 0.494 62 I N -0.691 119.863 120.570 -0.026 0.000 2.628 62 I HA -0.073 4.097 4.170 0.001 0.000 0.255 62 I C 1.851 177.906 176.117 -0.103 0.000 1.119 62 I CA 0.079 61.362 61.300 -0.028 0.000 1.448 62 I CB 0.103 38.109 38.000 0.010 0.000 1.133 62 I HN -0.055 nan 8.210 nan 0.000 0.438 63 I N 0.673 121.101 120.570 -0.236 0.000 2.454 63 I HA -0.202 3.968 4.170 0.001 0.000 0.254 63 I C 0.734 176.844 176.117 -0.013 0.000 1.156 63 I CA 1.004 62.081 61.300 -0.370 0.000 1.433 63 I CB -0.207 37.588 38.000 -0.342 0.000 1.082 63 I HN 0.232 nan 8.210 nan 0.000 0.432 64 C N 1.729 121.036 119.300 0.012 0.000 2.250 64 C HA 0.465 4.926 4.460 0.001 0.000 0.319 64 C C 0.951 175.969 174.990 0.047 0.000 1.124 64 C CA -0.132 58.921 59.018 0.057 0.000 1.527 64 C CB -1.194 26.569 27.740 0.038 0.000 2.001 64 C HN 0.663 nan 8.230 nan 0.000 0.435 65 E N 1.524 121.758 120.200 0.057 0.000 3.040 65 E HA -0.013 4.337 4.350 0.001 0.000 0.286 65 E C 0.140 176.746 176.600 0.010 0.000 1.136 65 E CA -0.049 56.364 56.400 0.023 0.000 2.027 65 E CB -0.410 29.294 29.700 0.007 0.000 2.092 65 E HN 0.389 nan 8.360 nan 0.000 1.029 66 D N 2.129 122.520 120.400 -0.015 0.000 2.424 66 D HA 0.068 4.709 4.640 0.001 0.000 0.220 66 D C 1.304 177.579 176.300 -0.042 0.000 1.150 66 D CA 0.742 54.717 54.000 -0.043 0.000 0.831 66 D CB 0.681 41.427 40.800 -0.090 0.000 0.981 66 D HN 0.248 nan 8.370 nan 0.000 0.500 67 S N 0.766 116.475 115.700 0.014 0.000 2.369 67 S HA -0.174 4.296 4.470 0.001 0.000 0.225 67 S C 1.156 175.895 174.600 0.231 0.000 1.043 67 S CA 0.954 59.191 58.200 0.061 0.000 1.074 67 S CB -1.686 61.637 63.200 0.205 0.000 0.962 67 S HN 0.271 nan 8.310 nan 0.000 0.433 68 T N 3.487 118.178 114.554 0.228 0.000 2.891 68 T HA 0.322 4.672 4.350 0.001 0.000 0.296 68 T C -0.011 174.779 174.700 0.151 0.000 1.025 68 T CA 0.321 62.538 62.100 0.195 0.000 1.149 68 T CB -0.070 68.869 68.868 0.118 0.000 1.007 68 T HN 0.266 nan 8.240 nan 0.000 0.528 69 L N 2.470 123.797 121.223 0.174 0.000 2.271 69 L HA 0.649 4.989 4.340 0.001 0.000 0.265 69 L C 0.366 177.368 176.870 0.221 0.000 1.013 69 L CA -1.297 53.673 54.840 0.216 0.000 0.820 69 L CB 1.366 43.615 42.059 0.316 0.000 1.352 69 L HN 0.523 nan 8.230 nan 0.000 0.443 91 S N 4.169 119.732 115.700 -0.229 0.000 2.681 91 S HA 0.875 5.345 4.470 0.001 0.000 0.299 91 S C -0.985 173.412 174.600 -0.339 0.000 1.113 91 S CA -0.645 57.474 58.200 -0.135 0.000 1.013 91 S CB 1.917 65.109 63.200 -0.012 0.000 1.076 91 S HN 0.321 nan 8.310 nan 0.000 0.534 92 F N 0.084 120.081 119.950 0.078 0.000 2.518 92 F HA 0.708 5.235 4.527 0.001 0.000 0.323 92 F C 0.880 176.721 175.800 0.068 0.000 1.129 92 F CA -0.546 57.509 58.000 0.091 0.000 0.920 92 F CB 1.946 41.031 39.000 0.142 0.000 1.160 92 F HN 0.961 nan 8.300 nan 0.000 0.440 93 G N 1.626 110.556 108.800 0.218 0.000 2.849 93 G HA2 0.287 4.247 3.960 0.001 0.000 0.174 93 G HA3 0.287 4.247 3.960 0.001 0.000 0.174 93 G C -0.524 174.448 174.900 0.121 0.000 1.370 93 G CA -0.827 44.355 45.100 0.138 0.000 1.040 93 G HN 0.558 nan 8.290 nan 0.000 0.582 94 K N -0.693 119.749 120.400 0.070 0.000 2.457 94 K HA 0.087 4.407 4.320 0.001 0.000 0.269 94 K C -0.645 175.979 176.600 0.041 0.000 0.969 94 K CA 0.304 56.580 56.287 -0.019 0.000 0.921 94 K CB 0.171 32.600 32.500 -0.118 0.000 0.940 94 K HN 0.335 nan 8.250 nan 0.000 0.517 95 I N 2.189 122.708 120.570 -0.085 0.000 2.582 95 I HA 0.280 4.450 4.170 0.001 0.000 0.292 95 I C -1.649 174.416 176.117 -0.087 0.000 1.066 95 I CA -1.009 60.316 61.300 0.041 0.000 1.053 95 I CB 1.087 39.083 38.000 -0.006 0.000 1.241 95 I HN 0.534 nan 8.210 nan 0.000 0.421 96 Y N 5.704 126.043 120.300 0.065 0.000 2.352 96 Y HA 0.532 5.083 4.550 0.001 0.000 0.339 96 Y C -0.237 175.618 175.900 -0.075 0.000 0.992 96 Y CA -0.885 57.234 58.100 0.031 0.000 1.100 96 Y CB 1.924 40.468 38.460 0.141 0.000 1.192 96 Y HN 0.166 nan 8.280 nan 0.000 0.458 97 V N 3.703 123.614 119.914 -0.005 0.000 2.313 97 V HA 0.281 4.401 4.120 0.001 0.000 0.278 97 V C 0.027 176.052 176.094 -0.115 0.000 1.017 97 V CA -0.853 61.381 62.300 -0.111 0.000 0.823 97 V CB 1.036 32.771 31.823 -0.147 0.000 1.010 97 V HN 0.913 nan 8.190 nan 0.000 0.443 98 T N 2.730 117.172 114.554 -0.187 0.000 2.904 98 T HA 0.462 4.812 4.350 0.001 0.000 0.290 98 T C 0.034 174.643 174.700 -0.152 0.000 1.018 98 T CA -0.745 61.258 62.100 -0.163 0.000 1.075 98 T CB 1.005 69.738 68.868 -0.224 0.000 0.986 98 T HN 0.510 nan 8.240 nan 0.000 0.523 99 K N 2.311 122.620 120.400 -0.151 0.000 2.219 99 K HA 0.252 4.573 4.320 0.001 0.000 0.258 99 K C -2.396 174.163 176.600 -0.069 0.000 1.008 99 K CA -1.540 54.637 56.287 -0.184 0.000 0.928 99 K CB -0.182 32.078 32.500 -0.399 0.000 0.983 99 K HN 0.434 nan 8.250 nan 0.000 0.484 100 P HA -0.134 nan 4.420 nan 0.000 0.265 100 P C -0.542 176.774 177.300 0.027 0.000 1.167 100 P CA 1.154 64.220 63.100 -0.057 0.000 0.760 100 P CB 0.461 32.036 31.700 -0.209 0.000 0.783 101 M N 0.964 120.562 119.600 -0.002 0.000 3.372 101 M HA 0.543 5.023 4.480 0.001 0.000 0.292 101 M C -1.352 174.957 176.300 0.015 0.000 1.391 101 M CA -0.975 54.341 55.300 0.027 0.000 0.786 101 M CB 2.117 34.725 32.600 0.013 0.000 1.798 101 M HN -0.166 nan 8.290 nan 0.000 0.442 102 V N 1.483 121.398 119.914 0.002 0.000 2.716 102 V HA 0.206 4.326 4.120 0.001 0.000 0.284 102 V C -1.534 174.514 176.094 -0.077 0.000 1.129 102 V CA -0.715 61.560 62.300 -0.041 0.000 0.926 102 V CB 1.685 33.464 31.823 -0.074 0.000 1.051 102 V HN 0.837 nan 8.190 nan 0.000 0.458 103 N N 4.116 122.775 118.700 -0.068 0.000 2.558 103 N HA 0.419 5.159 4.740 0.001 0.000 0.233 103 N C -0.279 175.187 175.510 -0.073 0.000 1.038 103 N CA -0.354 52.651 53.050 -0.074 0.000 0.934 103 N CB 0.724 39.162 38.487 -0.082 0.000 1.175 103 N HN 0.819 nan 8.380 nan 0.000 0.512 104 E N 0.819 120.963 120.200 -0.093 0.000 2.227 104 E HA 0.446 4.796 4.350 0.001 0.000 0.268 104 E C -0.549 176.020 176.600 -0.052 0.000 0.907 104 E CA -1.129 55.222 56.400 -0.081 0.000 0.786 104 E CB 1.030 30.655 29.700 -0.125 0.000 1.191 104 E HN 0.452 nan 8.360 nan 0.000 0.411 105 S N 1.297 116.977 115.700 -0.032 0.000 2.584 105 S HA 0.035 4.506 4.470 0.001 0.000 0.270 105 S C 0.465 175.060 174.600 -0.007 0.000 1.346 105 S CA -0.323 57.868 58.200 -0.015 0.000 1.018 105 S CB 0.423 63.620 63.200 -0.006 0.000 0.899 105 S HN 0.773 nan 8.310 nan 0.000 0.542 106 D N -0.136 120.265 120.400 0.002 0.000 3.018 106 D HA -0.127 4.513 4.640 0.001 0.000 0.224 106 D C 0.268 176.578 176.300 0.016 0.000 1.185 106 D CA 1.835 55.842 54.000 0.012 0.000 0.858 106 D CB -1.272 39.538 40.800 0.017 0.000 1.112 106 D HN 0.983 nan 8.370 nan 0.000 0.415 107 G N -2.094 106.710 108.800 0.007 0.000 2.690 107 G HA2 0.538 4.499 3.960 0.001 0.000 0.291 107 G HA3 0.538 4.499 3.960 0.001 0.000 0.291 107 G C 0.642 175.549 174.900 0.012 0.000 1.403 107 G CA -0.120 44.991 45.100 0.017 0.000 0.864 107 G HN 0.022 nan 8.290 nan 0.000 0.480 108 V N 0.033 119.975 119.914 0.046 0.000 2.252 108 V HA 0.363 4.484 4.120 0.001 0.000 0.167 108 V C 1.016 177.125 176.094 0.026 0.000 0.936 108 V CA 0.906 63.234 62.300 0.047 0.000 1.256 108 V CB -0.321 31.552 31.823 0.083 0.000 0.759 108 V HN 0.765 nan 8.190 nan 0.000 0.449 109 T N -0.007 114.590 114.554 0.072 0.000 3.634 109 T HA 0.287 4.637 4.350 0.001 0.000 0.319 109 T C -0.681 174.110 174.700 0.151 0.000 0.773 109 T CA -0.436 61.693 62.100 0.049 0.000 1.085 109 T CB -0.133 68.750 68.868 0.026 0.000 1.025 109 T HN 0.546 nan 8.240 nan 0.000 0.483 110 H N 1.328 120.418 119.070 0.034 0.000 3.016 110 H HA 0.319 4.875 4.556 0.001 0.000 0.345 110 H C 0.870 176.238 175.328 0.066 0.000 1.066 110 H CA -0.491 55.587 56.048 0.051 0.000 1.390 110 H CB 0.637 30.429 29.762 0.050 0.000 1.344 110 H HN 0.683 nan 8.280 nan 0.000 0.605 111 A N 4.272 127.222 122.820 0.216 0.000 2.415 111 A HA 0.180 4.500 4.320 0.001 0.000 0.309 111 A C -0.188 177.499 177.584 0.171 0.000 1.356 111 A CA -0.510 51.640 52.037 0.189 0.000 0.998 111 A CB -0.237 18.898 19.000 0.225 0.000 1.145 111 A HN 0.420 nan 8.150 nan 0.000 0.545 112 L N 3.087 124.357 121.223 0.079 0.000 2.417 112 L HA 0.523 4.863 4.340 0.001 0.000 0.268 112 L C -0.747 175.972 176.870 -0.252 0.000 1.158 112 L CA 0.340 55.204 54.840 0.041 0.000 0.819 112 L CB 0.117 42.216 42.059 0.066 0.000 1.112 112 L HN 0.612 nan 8.230 nan 0.000 0.458 113 Y N 4.072 124.294 120.300 -0.130 0.000 2.633 113 Y HA 0.481 5.032 4.550 0.001 0.000 0.339 113 Y C -1.736 174.154 175.900 -0.016 0.000 1.045 113 Y CA -1.397 56.611 58.100 -0.155 0.000 1.098 113 Y CB 1.194 39.536 38.460 -0.196 0.000 1.296 113 Y HN 0.513 nan 8.280 nan 0.000 0.494 114 P HA -0.212 nan 4.420 nan 0.000 0.205 114 P C 1.127 178.371 177.300 -0.094 0.000 1.203 114 P CA 1.713 64.601 63.100 -0.354 0.000 0.926 114 P CB 0.285 31.661 31.700 -0.540 0.000 0.767 115 Q N 0.465 120.236 119.800 -0.049 0.000 2.388 115 Q HA -0.245 4.096 4.340 0.001 0.000 0.216 115 Q C 2.140 178.151 176.000 0.017 0.000 0.997 115 Q CA 2.148 57.945 55.803 -0.009 0.000 0.923 115 Q CB -0.940 27.789 28.738 -0.014 0.000 0.922 115 Q HN 0.467 nan 8.270 nan 0.000 0.435 116 E N -1.701 118.523 120.200 0.039 0.000 2.042 116 E HA -0.048 4.303 4.350 0.001 0.000 0.189 116 E C 1.790 178.429 176.600 0.065 0.000 0.974 116 E CA 0.688 57.123 56.400 0.058 0.000 0.806 116 E CB -0.264 29.485 29.700 0.081 0.000 0.769 116 E HN 0.419 nan 8.360 nan 0.000 0.451 117 A N 1.719 124.583 122.820 0.072 0.000 1.986 117 A HA -0.224 4.096 4.320 0.001 0.000 0.220 117 A C 2.095 179.710 177.584 0.053 0.000 1.171 117 A CA 1.454 53.532 52.037 0.068 0.000 0.640 117 A CB -0.575 18.491 19.000 0.110 0.000 0.811 117 A HN 0.200 nan 8.150 nan 0.000 0.451 118 R N -0.725 119.805 120.500 0.051 0.000 2.115 118 R HA 0.017 4.357 4.340 0.001 0.000 0.230 118 R C 1.809 178.157 176.300 0.081 0.000 1.111 118 R CA 1.262 57.395 56.100 0.056 0.000 0.976 118 R CB -0.395 29.931 30.300 0.044 0.000 0.870 118 R HN 0.538 nan 8.270 nan 0.000 0.445 119 L N -0.180 121.097 121.223 0.091 0.000 2.249 119 L HA 0.034 4.374 4.340 0.001 0.000 0.207 119 L C 1.982 178.983 176.870 0.217 0.000 1.090 119 L CA 0.789 55.713 54.840 0.140 0.000 0.802 119 L CB -0.138 41.989 42.059 0.113 0.000 0.947 119 L HN 0.065 nan 8.230 nan 0.000 0.453 120 R N 0.282 120.844 120.500 0.104 0.000 2.317 120 R HA 0.107 4.448 4.340 0.001 0.000 0.208 120 R C -0.172 175.960 176.300 -0.280 0.000 0.914 120 R CA -0.049 56.026 56.100 -0.043 0.000 1.060 120 R CB -0.120 30.154 30.300 -0.044 0.000 1.015 120 R HN 0.367 nan 8.270 nan 0.000 0.498 121 N N 1.025 119.675 118.700 -0.082 0.000 2.727 121 N HA -0.180 4.561 4.740 0.001 0.000 0.251 121 N C -0.451 174.994 175.510 -0.109 0.000 1.040 121 N CA -0.149 52.848 53.050 -0.089 0.000 0.712 121 N CB -0.727 37.665 38.487 -0.159 0.000 0.912 121 N HN 0.184 nan 8.380 nan 0.000 0.545 122 L N -0.800 120.399 121.223 -0.041 0.000 2.884 122 L HA 0.563 4.904 4.340 0.001 0.000 0.199 122 L C 0.697 177.591 176.870 0.041 0.000 1.828 122 L CA -0.380 54.451 54.840 -0.015 0.000 2.124 122 L CB 0.698 42.760 42.059 0.005 0.000 2.736 122 L HN -0.014 nan 8.230 nan 0.000 0.592 123 T N -0.751 113.848 114.554 0.075 0.000 3.348 123 T HA 0.134 4.484 4.350 0.001 0.000 0.328 123 T C -0.962 173.836 174.700 0.162 0.000 0.913 123 T CA -0.369 61.801 62.100 0.116 0.000 1.043 123 T CB 0.163 69.084 68.868 0.088 0.000 1.021 123 T HN 0.230 nan 8.240 nan 0.000 0.461 124 Y N 4.563 124.891 120.300 0.047 0.000 2.852 124 Y HA 0.218 4.769 4.550 0.001 0.000 0.342 124 Y C 1.074 177.007 175.900 0.053 0.000 1.128 124 Y CA -0.178 57.941 58.100 0.031 0.000 2.007 124 Y CB -0.853 37.611 38.460 0.005 0.000 2.100 124 Y HN 0.659 nan 8.280 nan 0.000 0.405 125 S N 0.721 116.411 115.700 -0.017 0.000 2.667 125 S HA 0.920 5.390 4.470 0.001 0.000 0.292 125 S C -0.084 174.457 174.600 -0.099 0.000 1.108 125 S CA -0.101 58.085 58.200 -0.022 0.000 0.992 125 S CB 1.444 64.674 63.200 0.050 0.000 1.269 125 S HN 0.528 nan 8.310 nan 0.000 0.528 126 S N -1.562 114.112 115.700 -0.044 0.000 2.611 126 S HA 0.673 5.143 4.470 0.001 0.000 0.268 126 S C -0.235 174.337 174.600 -0.047 0.000 1.156 126 S CA -0.675 57.482 58.200 -0.072 0.000 0.817 126 S CB 0.472 63.602 63.200 -0.117 0.000 1.122 126 S HN 1.410 nan 8.310 nan 0.000 0.466 127 G N -0.011 108.718 108.800 -0.119 0.000 2.432 127 G HA2 0.549 4.509 3.960 0.001 0.000 0.257 127 G HA3 0.549 4.509 3.960 0.001 0.000 0.257 127 G C -1.303 173.400 174.900 -0.328 0.000 1.238 127 G CA -0.437 44.567 45.100 -0.160 0.000 0.838 127 G HN 0.524 nan 8.290 nan 0.000 0.547 128 L N 2.115 123.233 121.223 -0.174 0.000 2.294 128 L HA 0.500 4.840 4.340 0.001 0.000 0.283 128 L C -0.532 176.446 176.870 0.180 0.000 1.015 128 L CA -0.458 54.314 54.840 -0.113 0.000 0.831 128 L CB 0.652 42.652 42.059 -0.099 0.000 1.217 128 L HN 0.443 nan 8.230 nan 0.000 0.420 129 F N 3.247 123.279 119.950 0.137 0.000 2.520 129 F HA 0.765 5.292 4.527 0.001 0.000 0.322 129 F C -0.209 175.722 175.800 0.219 0.000 1.103 129 F CA -1.291 56.810 58.000 0.169 0.000 0.926 129 F CB 2.266 41.353 39.000 0.145 0.000 1.154 129 F HN -0.019 nan 8.300 nan 0.000 0.453 130 V N 1.882 122.030 119.914 0.390 0.000 2.733 130 V HA 0.160 4.280 4.120 0.001 0.000 0.306 130 V C -0.902 175.363 176.094 0.285 0.000 1.084 130 V CA -1.111 61.392 62.300 0.339 0.000 0.905 130 V CB 2.168 34.166 31.823 0.291 0.000 1.010 130 V HN 0.597 nan 8.190 nan 0.000 0.424 131 D N 3.669 124.234 120.400 0.274 0.000 2.342 131 D HA 0.222 4.862 4.640 0.001 0.000 0.260 131 D C 0.005 176.371 176.300 0.111 0.000 1.278 131 D CA 0.322 54.423 54.000 0.168 0.000 0.910 131 D CB 1.642 42.551 40.800 0.181 0.000 1.079 131 D HN 0.228 nan 8.370 nan 0.000 0.496 132 V N 3.115 123.047 119.914 0.030 0.000 2.743 132 V HA 0.327 4.447 4.120 0.001 0.000 0.301 132 V C 0.691 176.710 176.094 -0.124 0.000 1.057 132 V CA -0.449 61.769 62.300 -0.137 0.000 1.006 132 V CB 1.699 33.413 31.823 -0.181 0.000 1.024 132 V HN 0.351 nan 8.190 nan 0.000 0.473 165 V N 2.976 122.819 119.914 -0.117 0.000 2.555 165 V HA 0.424 4.545 4.120 0.001 0.000 0.302 165 V C -0.536 175.602 176.094 0.072 0.000 1.038 165 V CA -0.812 61.456 62.300 -0.053 0.000 0.887 165 V CB 1.289 33.144 31.823 0.054 0.000 0.991 165 V HN 0.248 nan 8.190 nan 0.000 0.434 166 F N 5.983 125.900 119.950 -0.054 0.000 2.504 166 F HA 0.498 5.025 4.527 0.001 0.000 0.369 166 F C 0.211 176.176 175.800 0.274 0.000 1.082 166 F CA -0.654 57.521 58.000 0.291 0.000 1.216 166 F CB 0.303 39.448 39.000 0.242 0.000 1.108 166 F HN 0.366 nan 8.300 nan 0.000 0.554 167 I N 7.103 127.479 120.570 -0.323 0.000 2.925 167 I HA 0.385 4.555 4.170 0.001 0.000 0.296 167 I C 0.400 176.229 176.117 -0.480 0.000 1.413 167 I CA -0.312 60.791 61.300 -0.329 0.000 0.932 167 I CB 0.134 38.144 38.000 0.016 0.000 1.873 167 I HN 0.933 nan 8.210 nan 0.000 0.619 168 G N 3.204 111.413 108.800 -0.984 0.000 2.796 168 G HA2 -0.196 3.765 3.960 0.001 0.000 0.226 168 G HA3 -0.196 3.765 3.960 0.001 0.000 0.226 168 G C -0.573 174.203 174.900 -0.206 0.000 1.381 168 G CA -0.781 44.038 45.100 -0.469 0.000 0.867 168 G HN 0.538 nan 8.290 nan 0.000 0.552 169 R N -0.902 119.605 120.500 0.012 0.000 2.513 169 R HA 0.532 4.872 4.340 0.001 0.000 0.301 169 R C -0.654 175.659 176.300 0.022 0.000 0.968 169 R CA -0.913 55.228 56.100 0.068 0.000 0.872 169 R CB 1.847 32.232 30.300 0.143 0.000 1.177 169 R HN 0.628 nan 8.270 nan 0.000 0.444 170 L N 5.355 126.574 121.223 -0.006 0.000 2.255 170 L HA 0.420 4.760 4.340 0.001 0.000 0.289 170 L C -2.353 174.588 176.870 0.119 0.000 1.046 170 L CA -2.204 52.651 54.840 0.026 0.000 0.816 170 L CB 0.799 42.844 42.059 -0.025 0.000 1.197 170 L HN 0.436 nan 8.230 nan 0.000 0.427 171 P HA 0.041 nan 4.420 nan 0.000 0.261 171 P C -0.110 177.384 177.300 0.322 0.000 1.203 171 P CA 0.447 63.689 63.100 0.236 0.000 0.767 171 P CB 0.301 32.168 31.700 0.278 0.000 0.785 172 I N 3.487 124.143 120.570 0.144 0.000 2.886 172 I HA 0.269 4.440 4.170 0.001 0.000 0.299 172 I C 1.251 177.078 176.117 -0.482 0.000 1.044 172 I CA -0.757 60.594 61.300 0.085 0.000 1.310 172 I CB 0.607 38.622 38.000 0.025 0.000 1.441 172 I HN 0.263 nan 8.210 nan 0.000 0.578 173 M N 3.947 122.905 119.600 -1.071 0.000 2.238 173 M HA 0.354 4.834 4.480 0.001 0.000 0.350 173 M C -1.078 174.881 176.300 -0.568 0.000 1.138 173 M CA -0.893 53.523 55.300 -1.473 0.000 1.040 173 M CB 1.218 32.614 32.600 -2.007 0.000 1.639 173 M HN 0.289 nan 8.290 nan 0.000 0.451 174 L N 4.764 125.644 121.223 -0.572 0.000 2.483 174 L HA 0.107 4.447 4.340 0.001 0.000 0.276 174 L C 1.014 177.696 176.870 -0.314 0.000 1.213 174 L CA 1.002 55.579 54.840 -0.439 0.000 0.843 174 L CB 0.044 41.625 42.059 -0.797 0.000 1.107 174 L HN 0.925 nan 8.230 nan 0.000 0.487 175 R N -0.414 119.997 120.500 -0.148 0.000 3.878 175 R HA -0.178 4.162 4.340 0.001 0.000 0.330 175 R C 0.127 176.418 176.300 -0.015 0.000 1.186 175 R CA 0.965 57.024 56.100 -0.068 0.000 0.885 175 R CB -1.814 28.431 30.300 -0.092 0.000 1.377 175 R HN 0.909 nan 8.270 nan 0.000 0.523 176 S N -1.704 114.009 115.700 0.021 0.000 2.666 176 S HA 0.372 4.843 4.470 0.001 0.000 0.279 176 S C 1.157 175.806 174.600 0.081 0.000 1.149 176 S CA -0.511 57.752 58.200 0.106 0.000 1.020 176 S CB 1.115 64.494 63.200 0.299 0.000 1.127 176 S HN 0.221 nan 8.310 nan 0.000 0.537 177 K N 0.347 120.788 120.400 0.069 0.000 2.097 177 K HA 0.002 4.322 4.320 0.001 0.000 0.205 177 K C 1.149 177.740 176.600 -0.013 0.000 1.050 177 K CA 1.400 57.695 56.287 0.014 0.000 0.938 177 K CB -0.434 32.057 32.500 -0.015 0.000 0.718 177 K HN 0.489 nan 8.250 nan 0.000 0.442 178 N N -0.248 118.454 118.700 0.002 0.000 2.461 178 N HA -0.022 4.718 4.740 0.001 0.000 0.188 178 N C -0.538 174.953 175.510 -0.032 0.000 1.134 178 N CA 0.161 53.179 53.050 -0.053 0.000 0.878 178 N CB 0.252 38.710 38.487 -0.048 0.000 0.972 178 N HN 0.085 nan 8.380 nan 0.000 0.456 179 C N 0.952 120.298 119.300 0.076 0.000 2.265 179 C HA 0.226 4.686 4.460 0.001 0.000 0.332 179 C C 1.394 176.512 174.990 0.212 0.000 1.248 179 C CA -0.812 58.355 59.018 0.248 0.000 1.727 179 C CB -1.493 26.398 27.740 0.252 0.000 2.348 179 C HN 0.493 nan 8.230 nan 0.000 0.519 180 Y N 3.627 123.939 120.300 0.020 0.000 2.215 180 Y HA -0.252 4.299 4.550 0.001 0.000 0.282 180 Y C 2.057 177.982 175.900 0.041 0.000 1.207 180 Y CA 1.926 60.010 58.100 -0.026 0.000 1.196 180 Y CB -0.738 37.604 38.460 -0.196 0.000 0.969 180 Y HN 0.685 nan 8.280 nan 0.000 0.528 181 L N -0.429 120.930 121.223 0.226 0.000 2.131 181 L HA -0.234 4.106 4.340 0.001 0.000 0.210 181 L C 2.611 179.533 176.870 0.087 0.000 1.092 181 L CA 1.422 56.342 54.840 0.133 0.000 0.759 181 L CB -1.015 41.085 42.059 0.070 0.000 0.903 181 L HN 0.369 nan 8.230 nan 0.000 0.435 182 S N 0.256 115.999 115.700 0.072 0.000 2.372 182 S HA -0.301 4.170 4.470 0.001 0.000 0.227 182 S C 1.734 176.363 174.600 0.049 0.000 1.044 182 S CA 1.899 60.128 58.200 0.048 0.000 1.050 182 S CB -0.459 62.764 63.200 0.037 0.000 0.901 182 S HN 0.530 nan 8.310 nan 0.000 0.447 183 E N 2.118 122.349 120.200 0.051 0.000 2.033 183 E HA 0.309 4.659 4.350 0.001 0.000 0.189 183 E C 1.355 177.992 176.600 0.061 0.000 0.979 183 E CA 0.454 56.882 56.400 0.048 0.000 0.802 183 E CB -0.463 29.258 29.700 0.036 0.000 0.763 183 E HN 0.718 nan 8.360 nan 0.000 0.449 184 A N 1.303 124.175 122.820 0.086 0.000 2.645 184 A HA 0.035 4.356 4.320 0.001 0.000 0.233 184 A C 0.630 178.252 177.584 0.063 0.000 1.100 184 A CA 1.043 53.134 52.037 0.090 0.000 0.793 184 A CB -0.180 18.894 19.000 0.124 0.000 1.028 184 A HN 0.304 nan 8.150 nan 0.000 0.516 185 T N -1.819 112.767 114.554 0.054 0.000 2.858 185 T HA 0.553 4.903 4.350 0.001 0.000 0.285 185 T C 0.798 175.520 174.700 0.036 0.000 1.052 185 T CA 0.169 62.290 62.100 0.034 0.000 1.009 185 T CB 1.063 69.942 68.868 0.019 0.000 1.241 185 T HN 0.730 nan 8.240 nan 0.000 0.542 186 E N 1.243 121.450 120.200 0.012 0.000 2.081 186 E HA -0.317 4.034 4.350 0.001 0.000 0.235 186 E C 2.224 178.842 176.600 0.029 0.000 1.043 186 E CA 3.320 59.727 56.400 0.012 0.000 0.924 186 E CB -0.858 28.802 29.700 -0.066 0.000 0.821 186 E HN 0.783 nan 8.360 nan 0.000 0.517 187 S N 0.428 116.078 115.700 -0.084 0.000 2.380 187 S HA -0.359 4.112 4.470 0.001 0.000 0.229 187 S C 1.904 176.510 174.600 0.010 0.000 1.050 187 S CA 1.764 59.895 58.200 -0.116 0.000 1.100 187 S CB -1.143 61.996 63.200 -0.102 0.000 0.984 187 S HN 0.432 nan 8.310 nan 0.000 0.434 188 D N 1.640 122.058 120.400 0.029 0.000 2.268 188 D HA -0.160 4.480 4.640 0.001 0.000 0.189 188 D C 1.994 178.349 176.300 0.090 0.000 1.010 188 D CA 1.934 55.969 54.000 0.057 0.000 0.862 188 D CB -0.404 40.436 40.800 0.066 0.000 0.943 188 D HN 0.412 nan 8.370 nan 0.000 0.451 189 L N -0.324 120.973 121.223 0.124 0.000 1.943 189 L HA -0.262 4.078 4.340 0.001 0.000 0.215 189 L C 2.669 179.617 176.870 0.130 0.000 1.074 189 L CA 1.461 56.372 54.840 0.118 0.000 0.759 189 L CB -0.983 41.133 42.059 0.095 0.000 0.888 189 L HN 0.127 nan 8.230 nan 0.000 0.433 190 Y N 0.498 120.770 120.300 -0.047 0.000 2.144 190 Y HA -0.359 4.192 4.550 0.001 0.000 0.277 190 Y C 2.486 178.351 175.900 -0.059 0.000 1.229 190 Y CA 1.673 59.739 58.100 -0.056 0.000 1.144 190 Y CB -0.705 37.718 38.460 -0.062 0.000 0.953 190 Y HN 0.168 nan 8.280 nan 0.000 0.515 191 K N -0.180 120.288 120.400 0.114 0.000 2.555 191 K HA -0.021 4.300 4.320 0.001 0.000 0.193 191 K C 1.143 177.719 176.600 -0.040 0.000 1.032 191 K CA 0.577 56.875 56.287 0.020 0.000 1.004 191 K CB -0.174 32.326 32.500 -0.001 0.000 0.804 191 K HN 0.360 nan 8.250 nan 0.000 0.496 192 L N -0.526 120.678 121.223 -0.031 0.000 2.664 192 L HA 0.120 4.460 4.340 0.001 0.000 0.233 192 L C 0.579 177.409 176.870 -0.068 0.000 1.113 192 L CA 0.103 54.894 54.840 -0.083 0.000 0.896 192 L CB 0.238 42.285 42.059 -0.020 0.000 1.163 192 L HN 0.025 nan 8.230 nan 0.000 0.497 193 K N -1.371 118.993 120.400 -0.059 0.000 3.609 193 K HA -0.158 4.162 4.320 0.001 0.000 0.277 193 K C 0.225 176.761 176.600 -0.107 0.000 1.196 193 K CA 0.856 57.093 56.287 -0.083 0.000 1.022 193 K CB -0.779 31.681 32.500 -0.066 0.000 1.292 193 K HN 0.151 nan 8.250 nan 0.000 0.484 194 E N 1.504 121.656 120.200 -0.080 0.000 2.376 194 E HA 0.016 4.366 4.350 0.001 0.000 0.266 194 E C -0.112 176.399 176.600 -0.148 0.000 1.009 194 E CA 0.080 56.437 56.400 -0.072 0.000 0.902 194 E CB 0.945 30.628 29.700 -0.028 0.000 0.972 194 E HN 0.253 nan 8.360 nan 0.000 0.439 195 C N 7.485 126.708 119.300 -0.127 0.000 2.648 195 C HA 0.108 4.569 4.460 0.001 0.000 0.419 195 C C -0.584 174.327 174.990 -0.132 0.000 1.352 195 C CA -1.551 57.354 59.018 -0.188 0.000 1.816 195 C CB 0.017 27.720 27.740 -0.062 0.000 2.598 195 C HN 0.623 nan 8.230 nan 0.000 0.598 196 P HA -0.133 nan 4.420 nan 0.000 0.216 196 P C 1.438 178.646 177.300 -0.154 0.000 1.153 196 P CA 1.791 64.783 63.100 -0.180 0.000 0.848 196 P CB -0.128 31.442 31.700 -0.217 0.000 0.787 197 F N 0.431 120.342 119.950 -0.064 0.000 2.307 197 F HA -0.112 4.416 4.527 0.001 0.000 0.301 197 F C 1.282 177.131 175.800 0.081 0.000 1.076 197 F CA 0.389 58.350 58.000 -0.066 0.000 1.383 197 F CB -0.896 37.956 39.000 -0.246 0.000 1.055 197 F HN -0.034 nan 8.300 nan 0.000 0.526 198 D N 0.642 121.197 120.400 0.258 0.000 2.506 198 D HA -0.085 4.555 4.640 0.001 0.000 0.234 198 D C 1.047 177.487 176.300 0.233 0.000 1.143 198 D CA 0.292 54.462 54.000 0.284 0.000 0.871 198 D CB 0.623 41.542 40.800 0.199 0.000 1.190 198 D HN 0.035 nan 8.370 nan 0.000 0.459 199 M N 1.847 121.597 119.600 0.251 0.000 2.313 199 M HA 0.309 4.789 4.480 0.001 0.000 0.273 199 M C 0.885 177.229 176.300 0.074 0.000 1.049 199 M CA 0.400 55.794 55.300 0.156 0.000 1.004 199 M CB -0.759 31.933 32.600 0.154 0.000 1.461 199 M HN 0.397 nan 8.290 nan 0.000 0.514 200 G N 1.583 110.425 108.800 0.071 0.000 2.598 200 G HA2 0.017 3.977 3.960 0.001 0.000 0.269 200 G HA3 0.017 3.977 3.960 0.001 0.000 0.269 200 G C 0.724 175.542 174.900 -0.138 0.000 1.289 200 G CA 1.069 46.006 45.100 -0.271 0.000 0.926 200 G HN 1.734 nan 8.290 nan 0.000 0.567 201 G N -3.347 105.274 108.800 -0.298 0.000 2.176 201 G HA2 0.209 4.169 3.960 0.001 0.000 0.232 201 G HA3 0.209 4.169 3.960 0.001 0.000 0.232 201 G C 0.276 175.137 174.900 -0.065 0.000 0.986 201 G CA 1.424 46.444 45.100 -0.132 0.000 0.643 201 G HN 2.377 nan 8.290 nan 0.000 0.522 202 Y N -1.299 118.922 120.300 -0.131 0.000 2.662 202 Y HA 0.877 5.428 4.550 0.001 0.000 0.335 202 Y C -0.163 175.682 175.900 -0.092 0.000 1.066 202 Y CA -2.745 55.343 58.100 -0.019 0.000 1.116 202 Y CB 0.718 39.163 38.460 -0.025 0.000 1.308 202 Y HN -0.035 nan 8.280 nan 0.000 0.502 203 F N 0.478 120.494 119.950 0.110 0.000 2.518 203 F HA 0.666 5.193 4.527 0.001 0.000 0.338 203 F C -0.259 175.634 175.800 0.155 0.000 1.065 203 F CA -1.668 56.360 58.000 0.046 0.000 1.012 203 F CB 1.397 40.395 39.000 -0.003 0.000 1.297 203 F HN 0.330 nan 8.300 nan 0.000 0.489 204 I N 2.991 123.752 120.570 0.318 0.000 2.623 204 I HA 0.254 4.425 4.170 0.001 0.000 0.275 204 I C -1.355 174.877 176.117 0.191 0.000 1.108 204 I CA -0.257 61.174 61.300 0.219 0.000 1.120 204 I CB 0.751 38.839 38.000 0.147 0.000 1.249 204 I HN 0.229 nan 8.210 nan 0.000 0.500 205 I N 4.960 125.621 120.570 0.152 0.000 2.385 205 I HA 0.263 4.433 4.170 0.001 0.000 0.294 205 I C 0.974 177.130 176.117 0.065 0.000 0.988 205 I CA -0.311 61.053 61.300 0.106 0.000 1.265 205 I CB 0.605 38.653 38.000 0.080 0.000 1.388 205 I HN 0.380 nan 8.210 nan 0.000 0.480 206 N N 5.508 124.238 118.700 0.050 0.000 2.712 206 N HA -0.259 4.481 4.740 0.001 0.000 0.263 206 N C 0.943 176.467 175.510 0.023 0.000 0.954 206 N CA 1.230 54.293 53.050 0.021 0.000 0.812 206 N CB -0.469 38.024 38.487 0.010 0.000 0.912 206 N HN 1.118 nan 8.380 nan 0.000 0.551 207 G N -1.633 107.188 108.800 0.035 0.000 4.391 207 G HA2 -0.327 3.633 3.960 0.001 0.000 0.210 207 G HA3 -0.327 3.633 3.960 0.001 0.000 0.210 207 G C 0.149 175.078 174.900 0.048 0.000 1.547 207 G CA 0.449 45.577 45.100 0.046 0.000 1.103 207 G HN 1.029 nan 8.290 nan 0.000 0.637 208 S N 1.310 117.031 115.700 0.034 0.000 2.596 208 S HA 0.526 4.996 4.470 0.001 0.000 0.260 208 S C -0.078 174.538 174.600 0.027 0.000 1.336 208 S CA 0.321 58.528 58.200 0.011 0.000 0.993 208 S CB 1.328 64.523 63.200 -0.009 0.000 0.923 208 S HN 0.665 nan 8.310 nan 0.000 0.567 209 E N 0.977 121.163 120.200 -0.023 0.000 2.081 209 E HA 0.270 4.620 4.350 0.001 0.000 0.281 209 E C -0.580 176.011 176.600 -0.015 0.000 0.986 209 E CA -0.551 55.837 56.400 -0.020 0.000 0.796 209 E CB 0.708 30.248 29.700 -0.267 0.000 1.085 209 E HN 0.318 nan 8.360 nan 0.000 0.398 210 K N 2.298 122.750 120.400 0.088 0.000 2.206 210 K HA 0.390 4.710 4.320 0.001 0.000 0.264 210 K C -0.648 175.994 176.600 0.071 0.000 0.967 210 K CA -0.790 55.523 56.287 0.043 0.000 0.844 210 K CB 2.109 34.626 32.500 0.028 0.000 1.099 210 K HN 0.227 nan 8.250 nan 0.000 0.441 211 V N 4.587 124.475 119.914 -0.042 0.000 2.370 211 V HA 0.326 4.446 4.120 0.001 0.000 0.283 211 V C 0.393 176.416 176.094 -0.118 0.000 1.023 211 V CA -0.940 61.314 62.300 -0.077 0.000 0.857 211 V CB 1.225 32.856 31.823 -0.320 0.000 0.985 211 V HN 0.575 nan 8.190 nan 0.000 0.443 212 L N 5.540 126.702 121.223 -0.100 0.000 2.380 212 L HA 0.392 4.732 4.340 0.001 0.000 0.273 212 L C -0.342 176.435 176.870 -0.156 0.000 1.138 212 L CA -0.125 54.603 54.840 -0.186 0.000 0.832 212 L CB 0.795 42.745 42.059 -0.182 0.000 1.124 212 L HN 0.415 nan 8.230 nan 0.000 0.454 213 I N 2.566 123.022 120.570 -0.190 0.000 2.493 213 I HA 0.304 4.474 4.170 0.001 0.000 0.298 213 I C 0.602 176.639 176.117 -0.133 0.000 0.998 213 I CA -0.735 60.485 61.300 -0.132 0.000 1.137 213 I CB 1.724 39.671 38.000 -0.088 0.000 1.310 213 I HN 0.630 nan 8.210 nan 0.000 0.445 214 A N 6.785 129.555 122.820 -0.083 0.000 2.600 214 A HA -0.033 4.287 4.320 0.001 0.000 0.244 214 A C 0.291 177.829 177.584 -0.077 0.000 1.016 214 A CA 0.367 52.364 52.037 -0.066 0.000 0.778 214 A CB -0.218 18.764 19.000 -0.030 0.000 0.920 214 A HN 0.636 nan 8.150 nan 0.000 0.513 215 Q N 1.971 121.721 119.800 -0.084 0.000 2.788 215 Q HA 0.160 4.500 4.340 0.001 0.000 0.285 215 Q C -0.022 175.948 176.000 -0.049 0.000 1.063 215 Q CA -0.163 55.589 55.803 -0.085 0.000 0.958 215 Q CB 0.717 29.376 28.738 -0.132 0.000 1.211 215 Q HN 0.965 nan 8.270 nan 0.000 0.478 216 E N 2.368 122.555 120.200 -0.022 0.000 2.565 216 E HA -0.005 4.345 4.350 0.001 0.000 0.268 216 E C -0.348 176.244 176.600 -0.013 0.000 1.000 216 E CA 0.615 57.013 56.400 -0.004 0.000 0.964 216 E CB 0.515 30.246 29.700 0.052 0.000 0.955 216 E HN 0.367 nan 8.360 nan 0.000 0.459 217 R N 0.863 121.350 120.500 -0.021 0.000 2.687 217 R HA 0.250 4.590 4.340 0.001 0.000 0.265 217 R C -1.421 174.859 176.300 -0.033 0.000 1.048 217 R CA -0.676 55.412 56.100 -0.020 0.000 0.884 217 R CB 0.711 30.998 30.300 -0.022 0.000 1.258 217 R HN 0.248 nan 8.270 nan 0.000 0.469 218 S N 1.120 116.807 115.700 -0.022 0.000 2.516 218 S HA 0.512 4.982 4.470 0.001 0.000 0.282 218 S C 0.481 175.048 174.600 -0.054 0.000 1.286 218 S CA 0.173 58.356 58.200 -0.028 0.000 1.066 218 S CB -0.086 63.112 63.200 -0.002 0.000 0.884 218 S HN 0.838 nan 8.310 nan 0.000 0.491 219 A N 4.287 127.053 122.820 -0.089 0.000 2.504 219 A HA 0.530 4.851 4.320 0.001 0.000 0.242 219 A C 0.866 178.384 177.584 -0.111 0.000 1.100 219 A CA 0.297 52.256 52.037 -0.129 0.000 0.786 219 A CB -0.412 18.468 19.000 -0.199 0.000 1.050 219 A HN 1.044 nan 8.150 nan 0.000 0.512 220 G N -1.319 107.404 108.800 -0.129 0.000 2.735 220 G HA2 0.474 4.434 3.960 0.001 0.000 0.301 220 G HA3 0.474 4.434 3.960 0.001 0.000 0.301 220 G C -0.333 174.481 174.900 -0.144 0.000 1.279 220 G CA -0.368 44.666 45.100 -0.110 0.000 1.019 220 G HN 1.022 nan 8.290 nan 0.000 0.497 221 N N -1.123 117.483 118.700 -0.156 0.000 2.714 221 N HA -0.158 4.582 4.740 0.001 0.000 0.253 221 N C -0.566 174.859 175.510 -0.142 0.000 1.024 221 N CA 1.119 54.020 53.050 -0.248 0.000 0.726 221 N CB -1.159 37.151 38.487 -0.295 0.000 0.908 221 N HN 0.553 nan 8.380 nan 0.000 0.542 222 I N -0.764 119.745 120.570 -0.101 0.000 2.802 222 I HA 0.342 4.512 4.170 0.001 0.000 0.298 222 I C 0.272 176.332 176.117 -0.094 0.000 1.176 222 I CA -1.350 59.904 61.300 -0.076 0.000 1.025 222 I CB 2.394 40.336 38.000 -0.097 0.000 1.243 222 I HN -0.158 nan 8.210 nan 0.000 0.424 223 V N 2.401 122.242 119.914 -0.122 0.000 2.406 223 V HA 0.546 4.666 4.120 0.001 0.000 0.272 223 V C -0.415 175.525 176.094 -0.256 0.000 1.043 223 V CA -0.364 61.815 62.300 -0.201 0.000 0.915 223 V CB 0.743 32.402 31.823 -0.272 0.000 0.988 223 V HN 0.786 nan 8.190 nan 0.000 0.466 224 Q N 2.760 122.354 119.800 -0.343 0.000 2.421 224 Q HA 0.807 5.148 4.340 0.001 0.000 0.280 224 Q C -1.230 174.351 176.000 -0.697 0.000 1.085 224 Q CA -0.995 54.521 55.803 -0.478 0.000 0.807 224 Q CB 3.227 31.668 28.738 -0.495 0.000 1.405 224 Q HN 0.896 nan 8.270 nan 0.000 0.419 225 V N -1.473 118.036 119.914 -0.675 0.000 2.604 225 V HA 0.754 4.875 4.120 0.001 0.000 0.305 225 V C -1.092 174.722 176.094 -0.466 0.000 1.043 225 V CA -0.676 61.290 62.300 -0.556 0.000 0.888 225 V CB 1.113 32.766 31.823 -0.284 0.000 0.995 225 V HN 0.682 nan 8.190 nan 0.000 0.429 226 F N 1.319 121.188 119.950 -0.135 0.000 2.556 226 F HA 0.584 5.111 4.527 0.001 0.000 0.314 226 F C 0.322 175.997 175.800 -0.208 0.000 1.106 226 F CA -1.082 56.828 58.000 -0.149 0.000 0.911 226 F CB 2.518 41.461 39.000 -0.095 0.000 1.190 226 F HN 0.396 nan 8.300 nan 0.000 0.448 227 K N 2.890 123.255 120.400 -0.059 0.000 2.218 227 K HA 0.316 4.636 4.320 0.001 0.000 0.276 227 K C -0.325 176.272 176.600 -0.006 0.000 1.022 227 K CA -0.769 55.419 56.287 -0.164 0.000 0.946 227 K CB 0.945 33.341 32.500 -0.174 0.000 1.000 227 K HN 0.357 nan 8.250 nan 0.000 0.468 228 K N 1.134 121.560 120.400 0.043 0.000 2.118 228 K HA 0.352 4.672 4.320 0.001 0.000 0.254 228 K C -0.154 176.458 176.600 0.019 0.000 0.961 228 K CA -0.590 55.714 56.287 0.027 0.000 0.876 228 K CB 1.774 34.289 32.500 0.025 0.000 1.077 228 K HN 0.754 nan 8.250 nan 0.000 0.440 229 A N 1.125 123.945 122.820 -0.000 0.000 2.504 229 A HA 0.199 4.519 4.320 0.001 0.000 0.242 229 A C 1.405 178.991 177.584 0.003 0.000 1.100 229 A CA 0.972 53.008 52.037 -0.003 0.000 0.786 229 A CB -0.201 18.792 19.000 -0.012 0.000 1.050 229 A HN 0.802 nan 8.150 nan 0.000 0.512 230 A N 0.733 123.554 122.820 0.003 0.000 1.940 230 A HA 0.029 4.350 4.320 0.001 0.000 0.219 230 A C -0.716 176.867 177.584 -0.001 0.000 1.176 230 A CA 1.664 53.703 52.037 0.004 0.000 0.631 230 A CB -1.397 17.605 19.000 0.002 0.000 0.814 230 A HN 0.732 nan 8.150 nan 0.000 0.446 231 P HA 0.388 nan 4.420 nan 0.000 0.262 231 P C -0.697 176.594 177.300 -0.014 0.000 1.620 231 P CA 0.368 63.463 63.100 -0.008 0.000 1.089 231 P CB 0.583 32.278 31.700 -0.008 0.000 1.601 232 S N 4.037 119.727 115.700 -0.018 0.000 2.712 232 S HA 0.306 4.777 4.470 0.001 0.000 0.279 232 S C -2.555 172.017 174.600 -0.047 0.000 1.025 232 S CA -0.713 57.466 58.200 -0.035 0.000 0.861 232 S CB 0.875 64.051 63.200 -0.041 0.000 1.091 232 S HN 0.158 nan 8.310 nan 0.000 0.457 233 P HA 0.316 nan 4.420 nan 0.000 0.234 233 P C 0.071 177.261 177.300 -0.184 0.000 1.175 233 P CA 0.262 63.306 63.100 -0.094 0.000 0.801 233 P CB -0.068 31.586 31.700 -0.076 0.000 0.891 234 I N 1.215 121.636 120.570 -0.250 0.000 2.379 234 I HA 0.062 4.233 4.170 0.001 0.000 0.290 234 I C 1.977 178.041 176.117 -0.087 0.000 1.063 234 I CA 0.204 61.347 61.300 -0.263 0.000 1.351 234 I CB 0.647 38.484 38.000 -0.271 0.000 1.410 234 I HN -0.103 nan 8.210 nan 0.000 0.505 235 S N 6.271 121.942 115.700 -0.048 0.000 2.325 235 S HA 0.053 4.523 4.470 0.001 0.000 0.213 235 S C 0.677 175.432 174.600 0.259 0.000 1.031 235 S CA 0.990 59.208 58.200 0.030 0.000 0.984 235 S CB -0.021 63.101 63.200 -0.131 0.000 0.939 235 S HN 0.661 nan 8.310 nan 0.000 0.438 236 H N -1.507 117.545 119.070 -0.031 0.000 2.855 236 H HA 0.761 5.318 4.556 0.001 0.000 0.363 236 H C -1.432 173.873 175.328 -0.039 0.000 1.185 236 H CA -1.284 54.749 56.048 -0.026 0.000 1.174 236 H CB 2.079 31.821 29.762 -0.033 0.000 1.857 236 H HN 0.199 nan 8.280 nan 0.000 0.565 237 V N 0.234 120.188 119.914 0.068 0.000 3.120 237 V HA 0.514 4.635 4.120 0.001 0.000 0.303 237 V C -1.091 174.923 176.094 -0.134 0.000 1.238 237 V CA -0.914 61.374 62.300 -0.019 0.000 1.008 237 V CB 1.979 33.797 31.823 -0.009 0.000 1.064 237 V HN 0.903 nan 8.190 nan 0.000 0.434 238 A N 2.227 124.956 122.820 -0.152 0.000 2.291 238 A HA 0.819 5.139 4.320 0.001 0.000 0.311 238 A C -0.517 176.937 177.584 -0.217 0.000 1.224 238 A CA -0.485 51.407 52.037 -0.242 0.000 0.821 238 A CB 0.713 19.586 19.000 -0.211 0.000 1.172 238 A HN 0.815 nan 8.150 nan 0.000 0.494 239 E N 1.156 121.179 120.200 -0.295 0.000 2.202 239 E HA 0.652 5.002 4.350 0.001 0.000 0.272 239 E C -1.299 175.205 176.600 -0.160 0.000 0.951 239 E CA -0.556 55.731 56.400 -0.188 0.000 0.813 239 E CB 2.615 32.228 29.700 -0.145 0.000 1.151 239 E HN 0.631 nan 8.360 nan 0.000 0.398 240 I N 1.566 122.082 120.570 -0.090 0.000 2.586 240 I HA 0.245 4.416 4.170 0.001 0.000 0.288 240 I C -1.231 174.855 176.117 -0.051 0.000 1.147 240 I CA -0.557 60.706 61.300 -0.061 0.000 1.047 240 I CB 1.085 39.087 38.000 0.004 0.000 1.244 240 I HN 0.400 nan 8.210 nan 0.000 0.429 241 R N 5.298 125.762 120.500 -0.060 0.000 2.235 241 R HA 0.302 4.642 4.340 0.001 0.000 0.338 241 R C -0.187 176.070 176.300 -0.072 0.000 1.087 241 R CA -0.333 55.738 56.100 -0.048 0.000 0.948 241 R CB 0.774 31.052 30.300 -0.037 0.000 1.099 241 R HN 0.659 nan 8.270 nan 0.000 0.483 242 S N 1.207 116.879 115.700 -0.046 0.000 2.489 242 S HA 0.669 5.140 4.470 0.001 0.000 0.277 242 S C -0.121 174.499 174.600 0.033 0.000 1.230 242 S CA -0.826 57.353 58.200 -0.035 0.000 1.053 242 S CB 1.943 65.175 63.200 0.053 0.000 0.955 242 S HN 0.605 nan 8.310 nan 0.000 0.488 243 A N 3.921 126.763 122.820 0.036 0.000 2.466 243 A HA 0.507 4.827 4.320 0.001 0.000 0.284 243 A C -0.370 177.255 177.584 0.068 0.000 1.049 243 A CA -0.827 51.253 52.037 0.072 0.000 0.760 243 A CB 0.631 19.660 19.000 0.048 0.000 1.274 243 A HN 0.904 nan 8.150 nan 0.000 0.412 244 L N 3.041 124.308 121.223 0.073 0.000 2.780 244 L HA -0.069 4.272 4.340 0.001 0.000 0.275 244 L C 1.560 178.451 176.870 0.034 0.000 1.153 244 L CA 0.162 55.025 54.840 0.038 0.000 0.993 244 L CB 0.097 42.143 42.059 -0.022 0.000 1.319 244 L HN 0.918 nan 8.230 nan 0.000 0.479 245 E N 2.861 123.088 120.200 0.044 0.000 2.301 245 E HA -0.194 4.157 4.350 0.001 0.000 0.202 245 E C -0.174 176.450 176.600 0.041 0.000 1.017 245 E CA 1.293 57.720 56.400 0.044 0.000 0.831 245 E CB 0.045 29.778 29.700 0.054 0.000 0.742 245 E HN 0.527 nan 8.360 nan 0.000 0.491 246 K N -1.216 119.200 120.400 0.026 0.000 2.571 246 K HA 0.437 4.757 4.320 0.001 0.000 0.252 246 K C -0.922 175.668 176.600 -0.016 0.000 0.956 246 K CA -0.068 56.230 56.287 0.018 0.000 0.822 246 K CB 2.334 34.851 32.500 0.027 0.000 1.286 246 K HN 0.087 nan 8.250 nan 0.000 0.439 247 G N 1.317 110.098 108.800 -0.031 0.000 2.730 247 G HA2 -0.010 3.950 3.960 0.001 0.000 0.644 247 G HA3 -0.010 3.950 3.960 0.001 0.000 0.644 247 G C 0.155 174.961 174.900 -0.158 0.000 1.168 247 G CA 0.018 45.067 45.100 -0.084 0.000 1.240 247 G HN 0.791 nan 8.290 nan 0.000 0.551 248 S N 0.756 116.377 115.700 -0.133 0.000 2.868 248 S HA -0.335 4.135 4.470 0.001 0.000 0.270 248 S C 1.471 176.024 174.600 -0.077 0.000 1.300 248 S CA 2.544 60.646 58.200 -0.163 0.000 1.362 248 S CB -0.945 62.015 63.200 -0.400 0.000 1.685 248 S HN 2.222 nan 8.310 nan 0.000 0.682 249 R N 0.084 120.553 120.500 -0.053 0.000 2.747 249 R HA -0.151 4.190 4.340 0.001 0.000 0.236 249 R C 0.236 176.637 176.300 0.170 0.000 0.819 249 R CA 1.073 57.199 56.100 0.044 0.000 0.575 249 R CB -2.222 28.114 30.300 0.061 0.000 1.219 249 R HN 0.576 nan 8.270 nan 0.000 0.518 250 F N 0.604 120.572 119.950 0.030 0.000 2.545 250 F HA 0.034 4.562 4.527 0.001 0.000 0.348 250 F C 1.679 177.498 175.800 0.032 0.000 1.163 250 F CA -0.208 57.813 58.000 0.035 0.000 1.331 250 F CB 0.549 39.569 39.000 0.033 0.000 1.138 250 F HN 0.213 nan 8.300 nan 0.000 0.602 251 I N 2.769 123.457 120.570 0.196 0.000 2.926 251 I HA 0.052 4.223 4.170 0.001 0.000 0.295 251 I C -0.692 175.451 176.117 0.043 0.000 1.463 251 I CA -0.200 61.159 61.300 0.099 0.000 0.892 251 I CB 0.561 38.606 38.000 0.075 0.000 1.874 251 I HN 0.348 nan 8.210 nan 0.000 0.620 252 S N 0.830 116.553 115.700 0.038 0.000 2.480 252 S HA 0.554 5.024 4.470 0.001 0.000 0.286 252 S C 0.097 174.696 174.600 -0.000 0.000 1.180 252 S CA -0.504 57.697 58.200 0.002 0.000 1.075 252 S CB 1.572 64.764 63.200 -0.014 0.000 0.996 252 S HN 0.254 nan 8.310 nan 0.000 0.487 253 T N 3.334 117.880 114.554 -0.012 0.000 2.909 253 T HA 0.479 4.829 4.350 0.001 0.000 0.286 253 T C -0.600 174.069 174.700 -0.051 0.000 1.002 253 T CA -0.500 61.586 62.100 -0.024 0.000 1.074 253 T CB 0.804 69.663 68.868 -0.015 0.000 0.984 253 T HN 0.584 nan 8.240 nan 0.000 0.495 254 L N 3.385 124.567 121.223 -0.068 0.000 2.316 254 L HA 0.394 4.734 4.340 0.001 0.000 0.280 254 L C -0.493 176.327 176.870 -0.083 0.000 1.006 254 L CA -0.150 54.622 54.840 -0.113 0.000 0.836 254 L CB 1.167 43.126 42.059 -0.166 0.000 1.221 254 L HN 0.571 nan 8.230 nan 0.000 0.418 255 Q N 4.110 123.871 119.800 -0.066 0.000 2.271 255 Q HA 0.564 4.905 4.340 0.001 0.000 0.258 255 Q C -1.201 174.781 176.000 -0.030 0.000 0.936 255 Q CA -0.732 55.047 55.803 -0.042 0.000 0.909 255 Q CB 2.685 31.415 28.738 -0.014 0.000 1.253 255 Q HN 0.486 nan 8.270 nan 0.000 0.440 256 V N 3.948 123.843 119.914 -0.032 0.000 2.289 256 V HA 0.197 4.317 4.120 0.001 0.000 0.272 256 V C 0.149 176.247 176.094 0.007 0.000 1.026 256 V CA -0.567 61.727 62.300 -0.012 0.000 0.807 256 V CB 0.756 32.558 31.823 -0.035 0.000 1.044 256 V HN 0.681 nan 8.190 nan 0.000 0.443 257 K N 2.759 123.191 120.400 0.053 0.000 3.018 257 K HA 0.592 4.912 4.320 0.001 0.000 0.341 257 K C -0.348 176.306 176.600 0.090 0.000 1.018 257 K CA -0.417 55.911 56.287 0.068 0.000 1.146 257 K CB 0.250 32.818 32.500 0.112 0.000 1.160 257 K HN 0.365 nan 8.250 nan 0.000 0.471 258 L N 0.197 121.500 121.223 0.132 0.000 3.042 258 L HA 0.166 4.506 4.340 0.001 0.000 0.227 258 L C -1.534 175.411 176.870 0.126 0.000 1.134 258 L CA -0.104 54.809 54.840 0.122 0.000 1.128 258 L CB -1.026 41.051 42.059 0.029 0.000 1.318 258 L HN 0.412 nan 8.230 nan 0.000 0.665 259 Y N 1.716 122.008 120.300 -0.014 0.000 2.410 259 Y HA 0.381 4.932 4.550 0.001 0.000 0.356 259 Y C 1.686 177.571 175.900 -0.026 0.000 1.259 259 Y CA 1.435 59.528 58.100 -0.012 0.000 1.518 259 Y CB 0.047 38.505 38.460 -0.003 0.000 1.350 259 Y HN 0.907 nan 8.280 nan 0.000 0.699 260 G N 1.649 110.529 108.800 0.134 0.000 3.320 260 G HA2 -0.198 3.763 3.960 0.001 0.000 0.430 260 G HA3 -0.198 3.763 3.960 0.001 0.000 0.430 260 G C -0.031 174.868 174.900 -0.001 0.000 0.806 260 G CA -0.800 44.334 45.100 0.057 0.000 0.746 260 G HN 0.482 nan 8.290 nan 0.000 0.414 261 R N 1.094 121.588 120.500 -0.009 0.000 2.896 261 R HA 0.157 4.497 4.340 0.001 0.000 0.283 261 R C 1.154 177.432 176.300 -0.036 0.000 1.201 261 R CA -0.333 55.751 56.100 -0.025 0.000 1.178 261 R CB 0.074 30.369 30.300 -0.009 0.000 1.152 261 R HN 0.814 nan 8.270 nan 0.000 0.590 262 E N 0.302 120.480 120.200 -0.037 0.000 2.168 262 E HA 0.086 4.436 4.350 0.001 0.000 0.254 262 E C 0.336 176.924 176.600 -0.021 0.000 1.228 262 E CA 0.655 57.032 56.400 -0.038 0.000 0.956 262 E CB -0.400 29.286 29.700 -0.024 0.000 1.031 262 E HN 0.660 nan 8.360 nan 0.000 0.441 263 G N 3.070 111.857 108.800 -0.021 0.000 1.828 263 G HA2 -0.270 3.690 3.960 0.001 0.000 0.128 263 G HA3 -0.270 3.690 3.960 0.001 0.000 0.128 263 G C -0.050 174.847 174.900 -0.005 0.000 2.299 263 G CA -0.282 44.812 45.100 -0.010 0.000 1.389 263 G HN 0.983 nan 8.290 nan 0.000 0.437 264 S N 1.290 116.991 115.700 0.001 0.000 3.551 264 S HA 0.256 4.727 4.470 0.001 0.000 0.425 264 S C 0.690 175.295 174.600 0.009 0.000 1.149 264 S CA 0.950 59.155 58.200 0.009 0.000 0.912 264 S CB -0.145 63.065 63.200 0.017 0.000 0.641 264 S HN 2.248 nan 8.310 nan 0.000 0.481 265 S N 2.733 118.439 115.700 0.010 0.000 2.549 265 S HA 0.485 4.955 4.470 0.001 0.000 0.286 265 S C 0.741 175.348 174.600 0.012 0.000 1.314 265 S CA -0.376 57.830 58.200 0.009 0.000 1.062 265 S CB 0.318 63.523 63.200 0.009 0.000 0.865 265 S HN 2.507 nan 8.310 nan 0.000 0.498 266 A N 2.313 125.138 122.820 0.008 0.000 3.568 266 A HA -0.101 4.220 4.320 0.001 0.000 0.251 266 A C 0.360 177.954 177.584 0.015 0.000 1.293 266 A CA -0.149 51.893 52.037 0.007 0.000 0.770 266 A CB -2.067 16.938 19.000 0.007 0.000 1.004 266 A HN 0.822 nan 8.150 nan 0.000 0.478 267 R N 1.194 121.700 120.500 0.009 0.000 3.641 267 R HA 0.118 4.458 4.340 0.001 0.000 0.189 267 R C 0.830 177.141 176.300 0.019 0.000 1.706 267 R CA 0.821 56.931 56.100 0.016 0.000 1.311 267 R CB -0.277 30.015 30.300 -0.014 0.000 1.330 267 R HN 0.746 nan 8.270 nan 0.000 0.727 268 T N 1.204 115.773 114.554 0.024 0.000 2.918 268 T HA 0.238 4.588 4.350 0.001 0.000 0.302 268 T C 0.507 175.223 174.700 0.028 0.000 1.045 268 T CA -0.327 61.769 62.100 -0.007 0.000 1.114 268 T CB 0.486 69.304 68.868 -0.083 0.000 0.965 268 T HN 0.313 nan 8.240 nan 0.000 0.540 269 I N 4.971 125.552 120.570 0.017 0.000 2.330 269 I HA 0.397 4.567 4.170 0.001 0.000 0.289 269 I C 0.468 176.603 176.117 0.031 0.000 1.001 269 I CA -0.671 60.659 61.300 0.050 0.000 1.193 269 I CB 1.140 39.167 38.000 0.045 0.000 1.345 269 I HN 0.587 nan 8.210 nan 0.000 0.461 270 K N 4.810 125.257 120.400 0.079 0.000 2.350 270 K HA 0.913 5.233 4.320 0.001 0.000 0.241 270 K C -0.984 175.672 176.600 0.093 0.000 0.994 270 K CA -0.853 55.465 56.287 0.052 0.000 0.839 270 K CB 2.820 35.316 32.500 -0.008 0.000 1.244 270 K HN 0.623 nan 8.250 nan 0.000 0.443 271 A N 0.715 123.573 122.820 0.062 0.000 2.539 271 A HA 0.614 4.935 4.320 0.001 0.000 0.296 271 A C -1.073 176.540 177.584 0.048 0.000 1.073 271 A CA -0.681 51.384 52.037 0.047 0.000 0.700 271 A CB 1.654 20.667 19.000 0.021 0.000 1.296 271 A HN 0.539 nan 8.150 nan 0.000 0.405 272 T N 1.978 116.548 114.554 0.027 0.000 2.824 272 T HA 0.629 4.979 4.350 0.001 0.000 0.280 272 T C -0.418 174.275 174.700 -0.012 0.000 0.995 272 T CA -0.184 61.932 62.100 0.026 0.000 1.009 272 T CB 0.572 69.457 68.868 0.028 0.000 0.955 272 T HN 0.450 nan 8.240 nan 0.000 0.452 273 L N 4.452 125.683 121.223 0.014 0.000 2.365 273 L HA 0.479 4.819 4.340 0.001 0.000 0.273 273 L C -2.142 174.749 176.870 0.035 0.000 1.000 273 L CA -2.762 52.078 54.840 0.000 0.000 0.819 273 L CB 1.976 44.068 42.059 0.054 0.000 1.284 273 L HN 0.373 nan 8.230 nan 0.000 0.418 274 P HA -0.109 nan 4.420 nan 0.000 0.262 274 P C -0.775 176.706 177.300 0.302 0.000 1.182 274 P CA 0.456 63.650 63.100 0.156 0.000 0.761 274 P CB 0.196 31.963 31.700 0.112 0.000 0.795 275 Y N -0.104 120.165 120.300 -0.052 0.000 4.569 275 Y HA -0.176 4.374 4.550 0.001 0.000 0.237 275 Y C 0.518 176.400 175.900 -0.030 0.000 1.090 275 Y CA 0.225 58.309 58.100 -0.027 0.000 2.052 275 Y CB -2.462 35.978 38.460 -0.033 0.000 1.621 275 Y HN 0.378 nan 8.280 nan 0.000 0.682 276 I N 0.111 120.736 120.570 0.092 0.000 2.437 276 I HA 0.157 4.327 4.170 0.001 0.000 0.279 276 I C 1.204 177.356 176.117 0.058 0.000 1.028 276 I CA -0.818 60.521 61.300 0.066 0.000 1.142 276 I CB 1.440 39.477 38.000 0.061 0.000 1.266 276 I HN 0.002 nan 8.210 nan 0.000 0.461 277 K N 2.948 123.380 120.400 0.053 0.000 2.173 277 K HA -0.203 4.118 4.320 0.001 0.000 0.207 277 K C 1.009 177.641 176.600 0.054 0.000 1.046 277 K CA 1.573 57.884 56.287 0.040 0.000 0.929 277 K CB 0.100 32.620 32.500 0.034 0.000 0.720 277 K HN 0.579 nan 8.250 nan 0.000 0.453 278 Q N -0.104 119.741 119.800 0.075 0.000 2.823 278 Q HA 0.107 4.448 4.340 0.001 0.000 0.230 278 Q C -0.850 175.217 176.000 0.111 0.000 1.026 278 Q CA -0.855 55.005 55.803 0.096 0.000 0.940 278 Q CB 1.456 30.263 28.738 0.115 0.000 1.382 278 Q HN -0.042 nan 8.270 nan 0.000 0.502 279 D N -0.154 120.320 120.400 0.123 0.000 2.569 279 D HA 0.561 5.201 4.640 0.001 0.000 0.266 279 D C -0.626 175.732 176.300 0.096 0.000 1.164 279 D CA -0.244 53.821 54.000 0.107 0.000 1.071 279 D CB 1.104 41.976 40.800 0.120 0.000 1.183 279 D HN 0.405 nan 8.370 nan 0.000 0.613 280 I N 0.838 121.436 120.570 0.047 0.000 2.644 280 I HA 0.166 4.337 4.170 0.001 0.000 0.291 280 I C -2.625 173.463 176.117 -0.047 0.000 1.180 280 I CA -2.002 59.290 61.300 -0.014 0.000 1.040 280 I CB 3.166 41.184 38.000 0.029 0.000 1.255 280 I HN -0.037 nan 8.210 nan 0.000 0.422 281 P HA 0.173 nan 4.420 nan 0.000 0.276 281 P C 1.218 178.501 177.300 -0.028 0.000 1.253 281 P CA -0.176 62.881 63.100 -0.072 0.000 0.766 281 P CB 0.687 32.323 31.700 -0.106 0.000 0.845 282 I N 1.581 122.153 120.570 0.005 0.000 2.285 282 I HA -0.346 3.824 4.170 0.001 0.000 0.254 282 I C 1.458 177.620 176.117 0.075 0.000 1.093 282 I CA 1.611 62.911 61.300 -0.000 0.000 1.368 282 I CB -1.519 36.510 38.000 0.049 0.000 1.054 282 I HN 0.014 nan 8.210 nan 0.000 0.435 283 V N 2.253 122.246 119.914 0.133 0.000 2.232 283 V HA -0.333 3.788 4.120 0.001 0.000 0.241 283 V C 2.569 178.742 176.094 0.132 0.000 1.036 283 V CA 2.664 65.074 62.300 0.184 0.000 0.993 283 V CB -0.914 30.963 31.823 0.092 0.000 0.639 283 V HN 0.445 nan 8.190 nan 0.000 0.459 284 I N -0.016 120.568 120.570 0.022 0.000 2.161 284 I HA -0.379 3.792 4.170 0.001 0.000 0.246 284 I C 2.389 178.520 176.117 0.024 0.000 1.048 284 I CA 2.254 63.548 61.300 -0.011 0.000 1.314 284 I CB -0.621 37.301 38.000 -0.130 0.000 1.014 284 I HN 0.314 nan 8.210 nan 0.000 0.418 285 I N -0.126 120.444 120.570 -0.000 0.000 2.163 285 I HA -0.325 3.846 4.170 0.001 0.000 0.243 285 I C 2.524 178.614 176.117 -0.044 0.000 1.085 285 I CA 1.793 63.070 61.300 -0.038 0.000 1.347 285 I CB -0.488 37.468 38.000 -0.074 0.000 1.044 285 I HN 0.097 nan 8.210 nan 0.000 0.408 286 F N 0.953 120.896 119.950 -0.011 0.000 2.126 286 F HA -0.252 4.276 4.527 0.001 0.000 0.299 286 F C 2.819 178.601 175.800 -0.030 0.000 1.096 286 F CA 1.312 59.292 58.000 -0.033 0.000 1.255 286 F CB -0.180 38.821 39.000 0.001 0.000 0.997 286 F HN -0.067 nan 8.300 nan 0.000 0.479 287 R N -0.283 120.336 120.500 0.197 0.000 2.090 287 R HA -0.061 4.279 4.340 0.001 0.000 0.228 287 R C 2.237 178.579 176.300 0.070 0.000 1.110 287 R CA 0.961 57.128 56.100 0.112 0.000 0.973 287 R CB -0.546 29.804 30.300 0.085 0.000 0.869 287 R HN 0.212 nan 8.270 nan 0.000 0.440 288 A N 0.627 123.478 122.820 0.051 0.000 2.216 288 A HA -0.017 4.303 4.320 0.001 0.000 0.214 288 A C 1.736 179.317 177.584 -0.006 0.000 1.160 288 A CA 0.804 52.855 52.037 0.024 0.000 0.725 288 A CB -0.149 18.862 19.000 0.019 0.000 0.784 288 A HN 0.195 nan 8.150 nan 0.000 0.472 289 L N -1.338 119.885 121.223 -0.001 0.000 2.640 289 L HA 0.244 4.584 4.340 0.001 0.000 0.230 289 L C 1.292 178.174 176.870 0.020 0.000 1.123 289 L CA 0.489 55.312 54.840 -0.028 0.000 0.900 289 L CB 0.118 42.142 42.059 -0.059 0.000 1.146 289 L HN 0.542 nan 8.230 nan 0.000 0.484 290 G N 1.433 110.258 108.800 0.041 0.000 2.248 290 G HA2 -0.246 3.714 3.960 0.001 0.000 0.252 290 G HA3 -0.246 3.714 3.960 0.001 0.000 0.252 290 G C 0.030 174.968 174.900 0.064 0.000 1.085 290 G CA -0.213 44.915 45.100 0.046 0.000 0.845 290 G HN 0.337 nan 8.290 nan 0.000 0.494 291 I N 0.503 121.122 120.570 0.081 0.000 2.948 291 I HA 0.252 4.422 4.170 0.001 0.000 0.308 291 I C 1.773 177.926 176.117 0.060 0.000 1.478 291 I CA -0.722 60.625 61.300 0.078 0.000 0.843 291 I CB 0.143 38.191 38.000 0.080 0.000 2.100 291 I HN 0.140 nan 8.210 nan 0.000 0.625 292 I N 2.797 123.398 120.570 0.051 0.000 2.194 292 I HA -0.114 4.056 4.170 0.001 0.000 0.246 292 I C -0.976 175.162 176.117 0.036 0.000 1.093 292 I CA 1.149 62.477 61.300 0.046 0.000 1.355 292 I CB -1.071 36.952 38.000 0.039 0.000 1.046 292 I HN 0.307 nan 8.210 nan 0.000 0.413 293 P HA 0.146 nan 4.420 nan 0.000 0.282 293 P C -1.028 176.268 177.300 -0.007 0.000 1.249 293 P CA -0.182 62.925 63.100 0.012 0.000 0.806 293 P CB 0.848 32.550 31.700 0.003 0.000 0.984 294 D N 0.609 121.010 120.400 0.002 0.000 2.369 294 D HA 0.247 4.888 4.640 0.001 0.000 0.241 294 D C 1.754 178.032 176.300 -0.036 0.000 1.271 294 D CA 0.849 54.842 54.000 -0.012 0.000 0.942 294 D CB -0.307 40.494 40.800 0.002 0.000 1.129 294 D HN 0.681 nan 8.370 nan 0.000 0.476 295 G N 0.266 109.038 108.800 -0.048 0.000 3.163 295 G HA2 -0.472 3.488 3.960 0.001 0.000 0.227 295 G HA3 -0.472 3.488 3.960 0.001 0.000 0.227 295 G C 1.118 175.963 174.900 -0.093 0.000 1.300 295 G CA 0.856 45.922 45.100 -0.058 0.000 0.867 295 G HN 0.591 nan 8.290 nan 0.000 0.533 296 E N 0.417 120.557 120.200 -0.099 0.000 2.204 296 E HA 0.080 4.430 4.350 0.001 0.000 0.194 296 E C 2.618 179.067 176.600 -0.253 0.000 0.989 296 E CA 1.011 57.321 56.400 -0.151 0.000 0.824 296 E CB -0.140 29.508 29.700 -0.086 0.000 0.756 296 E HN 0.714 nan 8.360 nan 0.000 0.477 297 I N 0.598 121.039 120.570 -0.216 0.000 2.277 297 I HA -0.222 3.948 4.170 0.001 0.000 0.243 297 I C 2.006 177.942 176.117 -0.302 0.000 1.094 297 I CA 0.407 61.474 61.300 -0.389 0.000 1.393 297 I CB -0.097 37.713 38.000 -0.317 0.000 1.078 297 I HN 0.212 nan 8.210 nan 0.000 0.417 298 L N 0.689 121.827 121.223 -0.143 0.000 2.261 298 L HA -0.184 4.156 4.340 0.001 0.000 0.216 298 L C 2.371 179.236 176.870 -0.009 0.000 1.114 298 L CA 1.688 56.499 54.840 -0.047 0.000 0.777 298 L CB -1.105 40.940 42.059 -0.023 0.000 0.910 298 L HN 0.407 nan 8.230 nan 0.000 0.440 299 E N -1.096 119.049 120.200 -0.092 0.000 2.158 299 E HA -0.148 4.203 4.350 0.001 0.000 0.191 299 E C 1.919 178.540 176.600 0.035 0.000 0.982 299 E CA 0.525 56.902 56.400 -0.038 0.000 0.823 299 E CB 0.008 29.618 29.700 -0.151 0.000 0.766 299 E HN 0.606 nan 8.360 nan 0.000 0.468 300 H N 0.103 119.130 119.070 -0.070 0.000 2.495 300 H HA 0.044 4.600 4.556 0.001 0.000 0.287 300 H C 2.034 177.592 175.328 0.383 0.000 1.033 300 H CA 0.742 56.741 56.048 -0.082 0.000 1.307 300 H CB 0.360 29.846 29.762 -0.460 0.000 1.401 300 H HN 0.197 nan 8.280 nan 0.000 0.555 301 I N -0.674 120.112 120.570 0.360 0.000 2.681 301 I HA -0.051 4.120 4.170 0.001 0.000 0.247 301 I C 1.027 177.223 176.117 0.132 0.000 1.091 301 I CA 0.215 61.682 61.300 0.279 0.000 1.442 301 I CB 0.481 38.592 38.000 0.185 0.000 1.219 301 I HN 0.067 nan 8.210 nan 0.000 0.451 302 C N 1.269 120.675 119.300 0.176 0.000 2.295 302 C HA 0.295 4.755 4.460 0.001 0.000 0.331 302 C C 0.835 176.078 174.990 0.421 0.000 1.280 302 C CA -0.387 58.712 59.018 0.134 0.000 1.746 302 C CB -0.622 27.169 27.740 0.086 0.000 2.328 302 C HN 0.446 nan 8.230 nan 0.000 0.521 303 Y N 3.168 123.581 120.300 0.187 0.000 2.571 303 Y HA 0.294 4.845 4.550 0.001 0.000 0.275 303 Y C 0.802 176.802 175.900 0.167 0.000 1.179 303 Y CA -0.490 57.745 58.100 0.224 0.000 1.242 303 Y CB 0.225 38.865 38.460 0.301 0.000 1.126 303 Y HN 0.661 nan 8.280 nan 0.000 0.524 304 D N 0.267 120.820 120.400 0.256 0.000 2.591 304 D HA 0.093 4.733 4.640 0.001 0.000 0.222 304 D C -0.019 176.354 176.300 0.121 0.000 1.360 304 D CA -0.165 53.938 54.000 0.173 0.000 0.967 304 D CB 2.164 43.055 40.800 0.152 0.000 1.456 304 D HN -0.073 nan 8.370 nan 0.000 0.588 305 V N 3.215 123.180 119.914 0.085 0.000 3.590 305 V HA 0.030 4.151 4.120 0.001 0.000 0.272 305 V C 0.912 177.052 176.094 0.077 0.000 1.233 305 V CA 0.584 62.914 62.300 0.050 0.000 1.182 305 V CB -0.831 30.978 31.823 -0.023 0.000 0.901 305 V HN 0.444 nan 8.190 nan 0.000 0.485 306 N N 0.810 119.575 118.700 0.108 0.000 2.541 306 N HA 0.133 4.873 4.740 0.001 0.000 0.297 306 N C 0.052 175.696 175.510 0.222 0.000 1.503 306 N CA 0.056 53.193 53.050 0.145 0.000 0.919 306 N CB 0.751 39.301 38.487 0.106 0.000 1.305 306 N HN 0.326 nan 8.380 nan 0.000 0.501 307 D N 0.669 121.191 120.400 0.202 0.000 2.891 307 D HA 0.024 4.665 4.640 0.001 0.000 0.332 307 D C 1.544 177.882 176.300 0.063 0.000 1.369 307 D CA -0.593 53.479 54.000 0.120 0.000 0.827 307 D CB 0.048 40.873 40.800 0.041 0.000 1.141 307 D HN 0.184 nan 8.370 nan 0.000 0.464 308 W N 0.946 122.247 121.300 0.002 0.000 2.255 308 W HA -0.330 4.330 4.660 0.001 0.000 0.318 308 W C 1.255 177.771 176.519 -0.004 0.000 1.277 308 W CA 0.817 58.160 57.345 -0.004 0.000 1.286 308 W CB -1.218 28.238 29.460 -0.006 0.000 1.132 308 W HN 0.169 nan 8.180 nan 0.000 0.504 309 Q N 0.635 119.890 119.800 -0.909 0.000 1.935 309 Q HA -0.304 4.036 4.340 0.001 0.000 0.212 309 Q C 2.491 178.294 176.000 -0.328 0.000 1.008 309 Q CA 2.770 58.096 55.803 -0.795 0.000 0.868 309 Q CB -0.965 27.258 28.738 -0.858 0.000 0.946 309 Q HN 0.466 nan 8.270 nan 0.000 0.418 310 M N 0.677 120.129 119.600 -0.247 0.000 2.103 310 M HA -0.268 4.213 4.480 0.001 0.000 0.255 310 M C 2.036 178.290 176.300 -0.076 0.000 1.074 310 M CA 1.671 56.891 55.300 -0.133 0.000 1.090 310 M CB -0.186 32.356 32.600 -0.098 0.000 1.325 310 M HN 0.195 nan 8.290 nan 0.000 0.403 311 L N -0.132 121.065 121.223 -0.043 0.000 1.955 311 L HA -0.256 4.085 4.340 0.001 0.000 0.213 311 L C 2.521 179.393 176.870 0.003 0.000 1.072 311 L CA 1.940 56.785 54.840 0.007 0.000 0.755 311 L CB -1.186 40.908 42.059 0.059 0.000 0.888 311 L HN 0.364 nan 8.230 nan 0.000 0.432 312 E N 0.491 120.695 120.200 0.008 0.000 2.082 312 E HA -0.311 4.040 4.350 0.001 0.000 0.215 312 E C 2.179 178.770 176.600 -0.016 0.000 1.048 312 E CA 2.112 58.519 56.400 0.013 0.000 0.869 312 E CB -0.343 29.359 29.700 0.004 0.000 0.773 312 E HN 0.189 nan 8.360 nan 0.000 0.466 313 M N -0.493 119.077 119.600 -0.050 0.000 2.146 313 M HA -0.259 4.221 4.480 0.001 0.000 0.251 313 M C 2.475 178.763 176.300 -0.020 0.000 1.083 313 M CA 1.620 56.893 55.300 -0.046 0.000 1.076 313 M CB -0.983 31.577 32.600 -0.067 0.000 1.332 313 M HN 0.258 nan 8.290 nan 0.000 0.400 314 L N -0.985 120.233 121.223 -0.009 0.000 2.156 314 L HA -0.169 4.171 4.340 0.001 0.000 0.208 314 L C 2.481 179.356 176.870 0.007 0.000 1.095 314 L CA 0.735 55.580 54.840 0.009 0.000 0.770 314 L CB -0.524 41.547 42.059 0.020 0.000 0.914 314 L HN 0.287 nan 8.230 nan 0.000 0.439 315 K N 0.344 120.745 120.400 0.002 0.000 2.030 315 K HA -0.233 4.088 4.320 0.001 0.000 0.222 315 K C -0.343 176.253 176.600 -0.008 0.000 1.056 315 K CA 2.401 58.686 56.287 -0.003 0.000 0.957 315 K CB -1.377 31.123 32.500 -0.001 0.000 0.727 315 K HN 0.276 nan 8.250 nan 0.000 0.452 316 P HA -0.223 nan 4.420 nan 0.000 0.217 316 P C 1.747 179.044 177.300 -0.005 0.000 1.148 316 P CA 1.354 64.449 63.100 -0.008 0.000 0.828 316 P CB -0.206 31.490 31.700 -0.007 0.000 0.783 317 C N 0.105 119.406 119.300 0.002 0.000 2.491 317 C HA -0.136 4.324 4.460 0.001 0.000 0.283 317 C C 2.814 177.814 174.990 0.017 0.000 1.238 317 C CA 1.262 60.286 59.018 0.009 0.000 1.735 317 C CB -1.422 26.333 27.740 0.026 0.000 2.080 317 C HN 0.094 nan 8.230 nan 0.000 0.463 318 V N 1.327 121.255 119.914 0.023 0.000 2.277 318 V HA -0.342 3.779 4.120 0.001 0.000 0.255 318 V C 2.409 178.526 176.094 0.037 0.000 1.074 318 V CA 2.717 65.036 62.300 0.031 0.000 1.058 318 V CB -1.129 30.701 31.823 0.011 0.000 0.656 318 V HN 0.644 nan 8.190 nan 0.000 0.449 319 E N -0.578 119.627 120.200 0.008 0.000 2.273 319 E HA -0.300 4.050 4.350 0.001 0.000 0.198 319 E C 1.901 178.544 176.600 0.073 0.000 1.002 319 E CA 1.482 57.891 56.400 0.014 0.000 0.828 319 E CB -0.217 29.470 29.700 -0.021 0.000 0.747 319 E HN 0.723 nan 8.360 nan 0.000 0.491 320 D N -0.343 120.079 120.400 0.037 0.000 2.084 320 D HA -0.081 4.560 4.640 0.001 0.000 0.196 320 D C 1.973 178.287 176.300 0.023 0.000 0.985 320 D CA 1.425 55.433 54.000 0.013 0.000 0.826 320 D CB -0.270 40.508 40.800 -0.036 0.000 0.978 320 D HN 0.174 nan 8.370 nan 0.000 0.456 321 G N -0.888 107.930 108.800 0.031 0.000 2.679 321 G HA2 -0.210 3.750 3.960 0.001 0.000 0.212 321 G HA3 -0.210 3.750 3.960 0.001 0.000 0.212 321 G C 1.238 176.195 174.900 0.095 0.000 1.137 321 G CA 0.023 45.136 45.100 0.022 0.000 0.787 321 G HN 0.271 nan 8.290 nan 0.000 0.534 322 F N 2.075 122.012 119.950 -0.021 0.000 2.176 322 F HA -0.202 4.325 4.527 0.001 0.000 0.301 322 F C 2.269 178.068 175.800 -0.003 0.000 1.071 322 F CA 1.233 59.229 58.000 -0.008 0.000 1.289 322 F CB -0.209 38.788 39.000 -0.006 0.000 1.028 322 F HN 0.045 nan 8.300 nan 0.000 0.494 323 V N 0.456 120.288 119.914 -0.138 0.000 3.305 323 V HA -0.083 4.037 4.120 0.001 0.000 0.269 323 V C 1.220 177.224 176.094 -0.149 0.000 1.157 323 V CA 0.679 62.841 62.300 -0.230 0.000 1.157 323 V CB -1.011 30.756 31.823 -0.094 0.000 0.772 323 V HN 0.135 nan 8.190 nan 0.000 0.498 324 I N -0.435 120.081 120.570 -0.089 0.000 2.797 324 I HA 0.463 4.634 4.170 0.001 0.000 0.307 324 I C 0.485 176.588 176.117 -0.023 0.000 1.033 324 I CA -0.324 60.954 61.300 -0.037 0.000 1.071 324 I CB 2.190 40.184 38.000 -0.011 0.000 1.255 324 I HN -0.040 nan 8.210 nan 0.000 0.445 325 Q N 2.237 122.035 119.800 -0.003 0.000 1.798 325 Q HA 0.134 4.475 4.340 0.001 0.000 0.173 325 Q C -1.881 174.134 176.000 0.024 0.000 0.780 325 Q CA -0.161 55.651 55.803 0.015 0.000 0.866 325 Q CB 0.568 29.305 28.738 -0.002 0.000 1.234 325 Q HN 0.745 nan 8.270 nan 0.000 0.390 326 D N -2.445 117.971 120.400 0.027 0.000 2.769 326 D HA 0.149 4.789 4.640 0.001 0.000 0.219 326 D C 0.182 176.503 176.300 0.036 0.000 1.245 326 D CA -0.626 53.392 54.000 0.030 0.000 0.801 326 D CB 0.589 41.403 40.800 0.023 0.000 1.598 326 D HN -0.003 nan 8.370 nan 0.000 0.485 327 R N 0.987 121.509 120.500 0.036 0.000 2.165 327 R HA -0.275 4.065 4.340 0.001 0.000 0.254 327 R C 1.373 177.697 176.300 0.040 0.000 1.153 327 R CA 2.540 58.663 56.100 0.038 0.000 0.971 327 R CB -0.004 30.316 30.300 0.032 0.000 0.878 327 R HN 0.642 nan 8.270 nan 0.000 0.449 328 E N -1.101 119.121 120.200 0.036 0.000 2.007 328 E HA -0.211 4.140 4.350 0.001 0.000 0.203 328 E C 1.929 178.558 176.600 0.048 0.000 1.020 328 E CA 2.255 58.678 56.400 0.037 0.000 0.845 328 E CB -0.274 29.444 29.700 0.030 0.000 0.779 328 E HN 0.396 nan 8.360 nan 0.000 0.466 329 T N 1.099 115.681 114.554 0.047 0.000 2.849 329 T HA -0.165 4.185 4.350 0.001 0.000 0.270 329 T C 1.778 176.533 174.700 0.092 0.000 1.066 329 T CA 0.965 63.103 62.100 0.064 0.000 1.130 329 T CB -0.269 68.628 68.868 0.049 0.000 0.864 329 T HN 0.291 nan 8.240 nan 0.000 0.481 330 A N 1.829 124.693 122.820 0.074 0.000 1.834 330 A HA -0.054 4.266 4.320 0.001 0.000 0.216 330 A C 2.134 179.781 177.584 0.106 0.000 1.203 330 A CA 1.442 53.527 52.037 0.079 0.000 0.621 330 A CB -1.015 18.019 19.000 0.057 0.000 0.841 330 A HN 0.373 nan 8.150 nan 0.000 0.446 331 L N 0.289 121.561 121.223 0.081 0.000 2.127 331 L HA -0.195 4.146 4.340 0.001 0.000 0.211 331 L C 2.090 179.023 176.870 0.104 0.000 1.089 331 L CA 2.174 57.062 54.840 0.081 0.000 0.757 331 L CB -0.964 41.130 42.059 0.058 0.000 0.899 331 L HN 0.609 nan 8.230 nan 0.000 0.434 332 D N -0.828 119.635 120.400 0.104 0.000 2.116 332 D HA -0.298 4.342 4.640 0.001 0.000 0.193 332 D C 2.127 178.493 176.300 0.110 0.000 0.998 332 D CA 1.356 55.413 54.000 0.095 0.000 0.836 332 D CB -0.134 40.715 40.800 0.083 0.000 0.951 332 D HN 0.240 nan 8.370 nan 0.000 0.449 333 F N 0.691 120.658 119.950 0.028 0.000 2.026 333 F HA -0.119 4.409 4.527 0.001 0.000 0.296 333 F C 2.277 178.096 175.800 0.033 0.000 1.133 333 F CA 1.565 59.582 58.000 0.028 0.000 1.188 333 F CB -0.337 38.676 39.000 0.022 0.000 0.968 333 F HN -0.015 nan 8.300 nan 0.000 0.476 334 I N 0.160 120.927 120.570 0.328 0.000 2.143 334 I HA -0.396 3.775 4.170 0.001 0.000 0.245 334 I C 2.621 178.786 176.117 0.080 0.000 1.068 334 I CA 1.746 63.163 61.300 0.194 0.000 1.326 334 I CB -1.478 36.596 38.000 0.124 0.000 1.028 334 I HN 0.384 nan 8.210 nan 0.000 0.412 335 G N 0.434 109.280 108.800 0.077 0.000 2.402 335 G HA2 -0.173 3.787 3.960 0.001 0.000 0.216 335 G HA3 -0.173 3.787 3.960 0.001 0.000 0.216 335 G C 1.802 176.778 174.900 0.126 0.000 1.162 335 G CA 0.309 45.476 45.100 0.112 0.000 0.777 335 G HN 0.327 nan 8.290 nan 0.000 0.539 336 R N -0.391 120.119 120.500 0.015 0.000 2.062 336 R HA 0.073 4.414 4.340 0.001 0.000 0.229 336 R C 2.618 178.872 176.300 -0.077 0.000 1.128 336 R CA 0.825 56.901 56.100 -0.041 0.000 0.960 336 R CB -0.305 29.920 30.300 -0.125 0.000 0.855 336 R HN 0.088 nan 8.270 nan 0.000 0.432 337 R N 0.691 121.084 120.500 -0.177 0.000 2.154 337 R HA -0.120 4.220 4.340 0.001 0.000 0.248 337 R C 2.007 178.301 176.300 -0.010 0.000 1.155 337 R CA 1.837 57.844 56.100 -0.156 0.000 0.979 337 R CB -0.950 29.262 30.300 -0.146 0.000 0.869 337 R HN 0.397 nan 8.270 nan 0.000 0.452 338 G N -2.528 106.349 108.800 0.127 0.000 2.518 338 G HA2 -0.097 3.863 3.960 0.001 0.000 0.213 338 G HA3 -0.097 3.863 3.960 0.001 0.000 0.213 338 G C 0.378 175.399 174.900 0.202 0.000 1.226 338 G CA 0.916 46.111 45.100 0.157 0.000 0.822 338 G HN 0.373 nan 8.290 nan 0.000 0.546 339 T N 1.150 115.916 114.554 0.353 0.000 3.374 339 T HA 0.684 5.034 4.350 0.001 0.000 0.267 339 T C 0.059 174.795 174.700 0.059 0.000 0.996 339 T CA 0.066 62.269 62.100 0.170 0.000 0.977 339 T CB 0.705 69.665 68.868 0.153 0.000 1.149 339 T HN 0.475 nan 8.240 nan 0.000 0.517 340 A N 0.744 123.605 122.820 0.069 0.000 2.306 340 A HA 0.938 5.258 4.320 0.001 0.000 0.330 340 A C 0.316 177.898 177.584 -0.003 0.000 1.146 340 A CA -0.516 51.531 52.037 0.016 0.000 0.827 340 A CB 0.966 19.990 19.000 0.040 0.000 1.178 340 A HN 0.521 nan 8.150 nan 0.000 0.490 341 L N 0.751 121.964 121.223 -0.015 0.000 1.768 341 L HA 0.196 4.537 4.340 0.001 0.000 0.178 341 L C 1.853 178.713 176.870 -0.017 0.000 1.256 341 L CA 0.707 55.537 54.840 -0.016 0.000 1.175 341 L CB 0.108 42.158 42.059 -0.015 0.000 2.460 341 L HN 0.814 nan 8.230 nan 0.000 0.499 342 G N 0.454 109.242 108.800 -0.020 0.000 3.088 342 G HA2 0.265 4.225 3.960 0.001 0.000 0.217 342 G HA3 0.265 4.225 3.960 0.001 0.000 0.217 342 G C 0.603 175.492 174.900 -0.018 0.000 1.159 342 G CA -0.180 44.909 45.100 -0.018 0.000 0.760 342 G HN 0.055 nan 8.290 nan 0.000 0.550 343 I N 0.861 121.419 120.570 -0.021 0.000 2.710 343 I HA 0.011 4.182 4.170 0.001 0.000 0.286 343 I C 0.817 176.930 176.117 -0.006 0.000 1.181 343 I CA 0.419 61.709 61.300 -0.016 0.000 1.430 343 I CB 1.070 39.062 38.000 -0.013 0.000 1.367 343 I HN 0.011 nan 8.210 nan 0.000 0.577 344 K N 6.185 126.583 120.400 -0.002 0.000 2.520 344 K HA 0.167 4.488 4.320 0.001 0.000 0.205 344 K C 0.337 176.942 176.600 0.008 0.000 1.035 344 K CA -0.075 56.213 56.287 0.001 0.000 1.188 344 K CB 0.207 32.708 32.500 0.001 0.000 0.894 344 K HN 0.582 nan 8.250 nan 0.000 0.497 345 K N -0.722 119.685 120.400 0.013 0.000 6.337 345 K HA -0.263 4.057 4.320 0.001 0.000 0.470 345 K C 1.110 177.728 176.600 0.030 0.000 0.352 345 K CA 1.541 57.841 56.287 0.021 0.000 1.970 345 K CB -1.047 31.464 32.500 0.017 0.000 0.581 345 K HN 0.134 nan 8.250 nan 0.000 0.722 346 E N 1.517 121.732 120.200 0.025 0.000 2.130 346 E HA -0.209 4.142 4.350 0.001 0.000 0.196 346 E C 1.692 178.314 176.600 0.037 0.000 0.998 346 E CA 1.807 58.225 56.400 0.029 0.000 0.806 346 E CB -0.053 29.660 29.700 0.022 0.000 0.738 346 E HN 0.315 nan 8.360 nan 0.000 0.459 347 K N 0.079 120.497 120.400 0.029 0.000 2.103 347 K HA -0.052 4.268 4.320 0.001 0.000 0.204 347 K C 2.198 178.838 176.600 0.066 0.000 1.052 347 K CA 0.602 56.906 56.287 0.030 0.000 0.945 347 K CB -0.043 32.456 32.500 -0.003 0.000 0.722 347 K HN -0.011 nan 8.250 nan 0.000 0.443 348 R N 0.935 121.476 120.500 0.067 0.000 2.080 348 R HA -0.095 4.246 4.340 0.001 0.000 0.236 348 R C 2.337 178.719 176.300 0.137 0.000 1.137 348 R CA 1.534 57.701 56.100 0.110 0.000 0.943 348 R CB -0.430 29.911 30.300 0.067 0.000 0.846 348 R HN 0.164 nan 8.270 nan 0.000 0.431 349 I N 0.287 120.913 120.570 0.094 0.000 2.226 349 I HA -0.274 3.896 4.170 0.001 0.000 0.245 349 I C 2.543 178.719 176.117 0.098 0.000 1.100 349 I CA 1.084 62.435 61.300 0.085 0.000 1.374 349 I CB -0.235 37.802 38.000 0.061 0.000 1.057 349 I HN 0.153 nan 8.210 nan 0.000 0.413 350 Q N 0.295 120.156 119.800 0.102 0.000 2.096 350 Q HA -0.260 4.080 4.340 0.001 0.000 0.204 350 Q C 2.087 178.190 176.000 0.171 0.000 0.982 350 Q CA 1.818 57.685 55.803 0.107 0.000 0.850 350 Q CB -0.564 28.224 28.738 0.085 0.000 0.901 350 Q HN 0.494 nan 8.270 nan 0.000 0.422 351 Y N 0.079 120.397 120.300 0.031 0.000 2.151 351 Y HA -0.228 4.323 4.550 0.001 0.000 0.284 351 Y C 1.977 177.901 175.900 0.040 0.000 1.166 351 Y CA 1.475 59.596 58.100 0.035 0.000 1.163 351 Y CB -0.941 37.544 38.460 0.041 0.000 0.974 351 Y HN 0.164 nan 8.280 nan 0.000 0.511 352 A N 0.158 123.021 122.820 0.071 0.000 1.841 352 A HA -0.191 4.130 4.320 0.001 0.000 0.214 352 A C 2.334 179.918 177.584 -0.000 0.000 1.195 352 A CA 1.823 53.845 52.037 -0.024 0.000 0.611 352 A CB -0.690 18.326 19.000 0.027 0.000 0.835 352 A HN 0.450 nan 8.150 nan 0.000 0.443 353 K N -0.216 120.206 120.400 0.036 0.000 2.013 353 K HA -0.258 4.062 4.320 0.001 0.000 0.225 353 K C 1.769 178.386 176.600 0.029 0.000 1.056 353 K CA 2.023 58.330 56.287 0.032 0.000 0.971 353 K CB -0.555 31.973 32.500 0.046 0.000 0.731 353 K HN 0.514 nan 8.250 nan 0.000 0.450 354 D N 0.692 121.119 120.400 0.046 0.000 2.127 354 D HA -0.208 4.432 4.640 0.001 0.000 0.190 354 D C 2.039 178.345 176.300 0.010 0.000 1.000 354 D CA 1.488 55.513 54.000 0.042 0.000 0.839 354 D CB -0.479 40.366 40.800 0.075 0.000 0.955 354 D HN 0.245 nan 8.370 nan 0.000 0.446 355 I N 0.852 121.398 120.570 -0.041 0.000 2.145 355 I HA -0.297 3.874 4.170 0.001 0.000 0.244 355 I C 2.542 178.678 176.117 0.031 0.000 1.075 355 I CA 1.053 62.304 61.300 -0.081 0.000 1.332 355 I CB -0.325 37.563 38.000 -0.187 0.000 1.033 355 I HN 0.001 nan 8.210 nan 0.000 0.410 356 L N -0.404 120.845 121.223 0.043 0.000 2.217 356 L HA -0.181 4.159 4.340 0.001 0.000 0.211 356 L C 2.510 179.418 176.870 0.064 0.000 1.107 356 L CA 1.077 55.960 54.840 0.071 0.000 0.783 356 L CB -0.452 41.579 42.059 -0.047 0.000 0.919 356 L HN 0.351 nan 8.230 nan 0.000 0.442 357 Q N -0.290 119.539 119.800 0.048 0.000 2.134 357 Q HA -0.063 4.277 4.340 0.001 0.000 0.195 357 Q C 1.838 177.875 176.000 0.061 0.000 0.958 357 Q CA 0.900 56.732 55.803 0.049 0.000 0.840 357 Q CB 0.305 29.069 28.738 0.043 0.000 0.918 357 Q HN 0.378 nan 8.270 nan 0.000 0.467 358 K N -0.404 120.031 120.400 0.059 0.000 2.354 358 K HA 0.052 4.372 4.320 0.001 0.000 0.194 358 K C 1.204 177.865 176.600 0.102 0.000 1.045 358 K CA 0.360 56.689 56.287 0.070 0.000 1.026 358 K CB 0.692 33.229 32.500 0.062 0.000 0.866 358 K HN 0.035 nan 8.250 nan 0.000 0.530 359 E N -0.173 120.072 120.200 0.075 0.000 2.364 359 E HA 0.064 4.415 4.350 0.001 0.000 0.203 359 E C -0.165 176.497 176.600 0.104 0.000 0.888 359 E CA -0.128 56.303 56.400 0.051 0.000 0.989 359 E CB 0.280 29.922 29.700 -0.096 0.000 0.985 359 E HN 0.082 nan 8.360 nan 0.000 0.499 360 F N 2.724 122.677 119.950 0.005 0.000 2.502 360 F HA 0.101 4.628 4.527 0.001 0.000 0.371 360 F C 0.795 176.626 175.800 0.052 0.000 1.083 360 F CA -0.573 57.443 58.000 0.026 0.000 1.174 360 F CB 0.410 39.417 39.000 0.011 0.000 1.096 360 F HN -0.120 nan 8.300 nan 0.000 0.545 361 L N 8.846 130.028 121.223 -0.069 0.000 3.833 361 L HA -0.235 4.105 4.340 0.001 0.000 0.447 361 L C -1.475 175.519 176.870 0.206 0.000 1.213 361 L CA 0.248 55.173 54.840 0.142 0.000 0.801 361 L CB -1.086 41.161 42.059 0.313 0.000 1.676 361 L HN 0.574 nan 8.230 nan 0.000 0.883 362 P HA -0.233 nan 4.420 nan 0.000 0.219 362 P C 0.694 178.049 177.300 0.091 0.000 1.145 362 P CA 1.994 65.174 63.100 0.132 0.000 0.813 362 P CB -0.525 31.276 31.700 0.169 0.000 0.771 363 H N -1.100 117.968 119.070 -0.004 0.000 2.597 363 H HA 0.245 4.801 4.556 0.001 0.000 0.370 363 H C 1.508 176.780 175.328 -0.093 0.000 1.281 363 H CA -0.211 55.812 56.048 -0.041 0.000 1.422 363 H CB 0.923 30.662 29.762 -0.039 0.000 1.524 363 H HN -0.011 nan 8.280 nan 0.000 0.607 364 I N -1.501 118.820 120.570 -0.416 0.000 4.586 364 I HA -0.328 3.842 4.170 0.001 0.000 0.048 364 I C -0.274 175.626 176.117 -0.361 0.000 0.620 364 I CA 1.458 62.473 61.300 -0.475 0.000 0.920 364 I CB -1.169 36.434 38.000 -0.662 0.000 0.833 364 I HN 0.826 nan 8.210 nan 0.000 0.159 365 T N -0.101 114.262 114.554 -0.318 0.000 3.385 365 T HA 0.204 4.554 4.350 0.001 0.000 0.417 365 T C -0.761 173.833 174.700 -0.178 0.000 1.688 365 T CA -0.397 61.508 62.100 -0.324 0.000 1.107 365 T CB 1.367 69.808 68.868 -0.711 0.000 1.591 365 T HN 0.354 nan 8.240 nan 0.000 0.468 366 Q N 2.265 122.000 119.800 -0.108 0.000 2.217 366 Q HA 0.374 4.714 4.340 0.001 0.000 0.217 366 Q C 1.494 177.490 176.000 -0.007 0.000 0.844 366 Q CA -0.194 55.591 55.803 -0.029 0.000 0.957 366 Q CB 0.564 29.296 28.738 -0.010 0.000 1.127 366 Q HN 0.566 nan 8.270 nan 0.000 0.503 367 L N 0.388 121.594 121.223 -0.028 0.000 1.876 367 L HA -0.144 4.196 4.340 0.001 0.000 0.242 367 L C 1.645 178.577 176.870 0.103 0.000 1.068 367 L CA 1.575 56.442 54.840 0.044 0.000 0.971 367 L CB -0.260 41.847 42.059 0.079 0.000 0.943 367 L HN 0.228 nan 8.230 nan 0.000 0.466 368 E N -1.672 118.650 120.200 0.204 0.000 3.678 368 E HA 0.099 4.450 4.350 0.001 0.000 0.251 368 E C 1.029 177.754 176.600 0.208 0.000 1.255 368 E CA 0.354 56.852 56.400 0.164 0.000 1.648 368 E CB 0.112 29.874 29.700 0.104 0.000 2.201 368 E HN 0.412 nan 8.360 nan 0.000 0.751 369 G N 0.797 109.684 108.800 0.145 0.000 2.990 369 G HA2 0.084 4.045 3.960 0.001 0.000 0.256 369 G HA3 0.084 4.045 3.960 0.001 0.000 0.256 369 G C -0.409 174.313 174.900 -0.296 0.000 0.798 369 G CA 0.444 45.508 45.100 -0.060 0.000 2.012 369 G HN 0.125 nan 8.290 nan 0.000 0.598 370 F N -0.978 118.970 119.950 -0.004 0.000 2.901 370 F HA 0.247 4.774 4.527 0.001 0.000 0.329 370 F C 1.332 177.130 175.800 -0.004 0.000 1.185 370 F CA -0.537 57.461 58.000 -0.003 0.000 1.114 370 F CB 0.719 39.712 39.000 -0.013 0.000 1.199 370 F HN 0.121 nan 8.300 nan 0.000 0.513 371 E N 0.374 120.638 120.200 0.106 0.000 2.219 371 E HA -0.198 4.153 4.350 0.001 0.000 0.198 371 E C 2.208 178.847 176.600 0.065 0.000 0.998 371 E CA 1.769 58.196 56.400 0.044 0.000 0.818 371 E CB -0.362 29.347 29.700 0.013 0.000 0.741 371 E HN 0.364 nan 8.360 nan 0.000 0.477 372 S N -0.869 114.895 115.700 0.106 0.000 2.527 372 S HA 0.067 4.537 4.470 0.001 0.000 0.222 372 S C 1.865 176.643 174.600 0.298 0.000 0.985 372 S CA 0.210 58.525 58.200 0.193 0.000 0.921 372 S CB 0.206 63.516 63.200 0.184 0.000 0.772 372 S HN 0.078 nan 8.310 nan 0.000 0.529 373 R N 1.019 121.656 120.500 0.228 0.000 2.140 373 R HA 0.269 4.610 4.340 0.001 0.000 0.213 373 R C 2.082 178.538 176.300 0.260 0.000 1.059 373 R CA 0.614 56.849 56.100 0.224 0.000 1.000 373 R CB 0.040 30.487 30.300 0.246 0.000 0.910 373 R HN 0.327 nan 8.270 nan 0.000 0.455 374 K N -0.310 120.206 120.400 0.192 0.000 2.167 374 K HA 0.071 4.391 4.320 0.001 0.000 0.203 374 K C 1.891 178.637 176.600 0.242 0.000 1.052 374 K CA 0.876 57.280 56.287 0.194 0.000 0.956 374 K CB 0.172 32.678 32.500 0.010 0.000 0.735 374 K HN 0.092 nan 8.250 nan 0.000 0.451 375 A N 0.788 123.696 122.820 0.147 0.000 1.902 375 A HA -0.131 4.189 4.320 0.001 0.000 0.217 375 A C 1.799 179.538 177.584 0.258 0.000 1.181 375 A CA 1.244 53.342 52.037 0.102 0.000 0.623 375 A CB -0.675 18.268 19.000 -0.095 0.000 0.818 375 A HN 0.206 nan 8.150 nan 0.000 0.443 376 F N -2.128 118.000 119.950 0.296 0.000 2.451 376 F HA -0.008 4.519 4.527 0.001 0.000 0.299 376 F C 1.834 178.150 175.800 0.859 0.000 1.101 376 F CA 0.881 59.192 58.000 0.519 0.000 1.436 376 F CB -0.221 38.895 39.000 0.192 0.000 1.074 376 F HN 0.311 nan 8.300 nan 0.000 0.553 377 F N -0.327 120.055 119.950 0.720 0.000 2.147 377 F HA -0.073 4.455 4.527 0.001 0.000 0.291 377 F C 2.230 178.339 175.800 0.516 0.000 1.093 377 F CA 0.745 59.152 58.000 0.679 0.000 1.263 377 F CB -0.728 38.596 39.000 0.541 0.000 1.036 377 F HN -0.123 nan 8.300 nan 0.000 0.481 378 L N 0.590 122.149 121.223 0.560 0.000 2.137 378 L HA -0.117 4.223 4.340 0.001 0.000 0.213 378 L C 2.119 179.131 176.870 0.236 0.000 1.085 378 L CA 2.318 57.337 54.840 0.299 0.000 0.760 378 L CB -1.614 40.500 42.059 0.092 0.000 0.893 378 L HN 0.205 nan 8.230 nan 0.000 0.434 379 G N -1.911 107.154 108.800 0.442 0.000 2.404 379 G HA2 -0.337 3.623 3.960 0.001 0.000 0.213 379 G HA3 -0.337 3.623 3.960 0.001 0.000 0.213 379 G C 1.522 176.642 174.900 0.366 0.000 1.189 379 G CA 0.622 46.033 45.100 0.519 0.000 0.796 379 G HN 0.519 nan 8.290 nan 0.000 0.532 380 Y N 1.133 121.625 120.300 0.320 0.000 2.283 380 Y HA -0.174 4.377 4.550 0.001 0.000 0.285 380 Y C 2.663 178.486 175.900 -0.129 0.000 1.176 380 Y CA 1.658 59.798 58.100 0.067 0.000 1.229 380 Y CB -0.131 38.246 38.460 -0.139 0.000 0.975 380 Y HN 0.176 nan 8.280 nan 0.000 0.537 381 M N -0.947 118.506 119.600 -0.245 0.000 2.115 381 M HA -0.114 4.366 4.480 0.001 0.000 0.261 381 M C 2.141 178.309 176.300 -0.221 0.000 1.079 381 M CA 1.675 56.775 55.300 -0.334 0.000 1.143 381 M CB -0.413 32.077 32.600 -0.182 0.000 1.332 381 M HN 0.140 nan 8.290 nan 0.000 0.421 382 I N 0.743 121.271 120.570 -0.071 0.000 2.300 382 I HA -0.353 3.817 4.170 0.001 0.000 0.252 382 I C 2.071 178.142 176.117 -0.077 0.000 1.119 382 I CA 1.309 62.593 61.300 -0.027 0.000 1.384 382 I CB -0.911 37.137 38.000 0.079 0.000 1.062 382 I HN 0.436 nan 8.210 nan 0.000 0.426 383 N N 1.208 119.831 118.700 -0.128 0.000 2.025 383 N HA -0.181 4.560 4.740 0.001 0.000 0.194 383 N C 1.991 177.361 175.510 -0.234 0.000 1.069 383 N CA 1.407 54.339 53.050 -0.198 0.000 0.855 383 N CB -0.050 38.262 38.487 -0.292 0.000 1.054 383 N HN -0.013 nan 8.380 nan 0.000 0.427 384 R N 0.309 120.589 120.500 -0.368 0.000 2.189 384 R HA -0.225 4.115 4.340 0.001 0.000 0.252 384 R C 2.225 178.396 176.300 -0.216 0.000 1.134 384 R CA 1.503 57.394 56.100 -0.349 0.000 0.954 384 R CB -1.695 28.299 30.300 -0.510 0.000 0.890 384 R HN 0.458 nan 8.270 nan 0.000 0.443 385 L N 1.006 122.116 121.223 -0.188 0.000 1.963 385 L HA -0.232 4.108 4.340 0.001 0.000 0.220 385 L C 2.426 179.269 176.870 -0.045 0.000 1.076 385 L CA 1.857 56.638 54.840 -0.099 0.000 0.772 385 L CB -0.579 41.436 42.059 -0.073 0.000 0.892 385 L HN 0.143 nan 8.230 nan 0.000 0.435 386 L N -1.545 119.639 121.223 -0.065 0.000 1.976 386 L HA -0.262 4.078 4.340 0.001 0.000 0.209 386 L C 2.552 179.387 176.870 -0.057 0.000 1.071 386 L CA 1.149 55.954 54.840 -0.059 0.000 0.746 386 L CB -0.874 41.141 42.059 -0.073 0.000 0.890 386 L HN 0.272 nan 8.230 nan 0.000 0.432 387 L N -0.231 120.941 121.223 -0.085 0.000 2.151 387 L HA -0.364 3.976 4.340 0.001 0.000 0.219 387 L C 2.777 179.621 176.870 -0.043 0.000 1.083 387 L CA 1.992 56.786 54.840 -0.077 0.000 0.782 387 L CB -1.047 40.953 42.059 -0.098 0.000 0.891 387 L HN 0.518 nan 8.230 nan 0.000 0.439 388 C N -0.986 118.302 119.300 -0.021 0.000 2.541 388 C HA 0.018 4.478 4.460 0.001 0.000 0.282 388 C C 2.950 178.007 174.990 0.112 0.000 1.263 388 C CA 0.481 59.515 59.018 0.027 0.000 1.709 388 C CB -1.161 26.585 27.740 0.011 0.000 2.097 388 C HN 0.583 nan 8.230 nan 0.000 0.480 389 A N 0.094 123.021 122.820 0.178 0.000 2.298 389 A HA -0.025 4.296 4.320 0.001 0.000 0.215 389 A C 1.577 179.147 177.584 -0.024 0.000 1.193 389 A CA 1.526 53.589 52.037 0.042 0.000 0.697 389 A CB -0.677 18.218 19.000 -0.174 0.000 0.774 389 A HN 0.773 nan 8.150 nan 0.000 0.492 390 L N -1.546 119.666 121.223 -0.018 0.000 3.014 390 L HA 0.190 4.530 4.340 0.001 0.000 0.263 390 L C -0.730 176.121 176.870 -0.031 0.000 1.207 390 L CA -0.319 54.488 54.840 -0.054 0.000 1.017 390 L CB -0.280 41.723 42.059 -0.093 0.000 1.360 390 L HN 0.213 nan 8.230 nan 0.000 0.560 391 D N 1.252 121.655 120.400 0.004 0.000 2.803 391 D HA -0.198 4.443 4.640 0.001 0.000 0.233 391 D C 1.035 177.330 176.300 -0.010 0.000 1.182 391 D CA 0.577 54.580 54.000 0.005 0.000 0.726 391 D CB -0.336 40.466 40.800 0.004 0.000 0.987 391 D HN 0.377 nan 8.370 nan 0.000 0.412 392 R N -0.308 120.184 120.500 -0.014 0.000 2.383 392 R HA 0.171 4.511 4.340 0.001 0.000 0.205 392 R C 0.328 176.619 176.300 -0.015 0.000 0.875 392 R CA 0.020 56.109 56.100 -0.018 0.000 1.039 392 R CB 0.684 30.966 30.300 -0.030 0.000 1.267 392 R HN -0.079 nan 8.270 nan 0.000 0.635 393 K N 1.558 121.946 120.400 -0.020 0.000 2.443 393 K HA 0.237 4.557 4.320 0.001 0.000 0.252 393 K C -1.205 175.382 176.600 -0.021 0.000 0.933 393 K CA -0.507 55.766 56.287 -0.023 0.000 0.792 393 K CB 2.136 34.611 32.500 -0.042 0.000 1.185 393 K HN -0.005 nan 8.250 nan 0.000 0.425 394 D N 1.633 122.027 120.400 -0.010 0.000 2.362 394 D HA -0.068 4.572 4.640 0.001 0.000 0.238 394 D C 0.597 176.889 176.300 -0.014 0.000 1.212 394 D CA 0.255 54.252 54.000 -0.005 0.000 0.902 394 D CB 0.842 41.649 40.800 0.013 0.000 1.180 394 D HN 0.346 nan 8.370 nan 0.000 0.445 395 Q N 0.385 120.180 119.800 -0.008 0.000 2.454 395 Q HA -0.017 4.323 4.340 0.001 0.000 0.247 395 Q C -0.466 175.580 176.000 0.076 0.000 1.028 395 Q CA -0.204 55.608 55.803 0.016 0.000 0.910 395 Q CB 0.720 29.475 28.738 0.027 0.000 1.276 395 Q HN 0.288 nan 8.270 nan 0.000 0.489 396 D N 1.838 122.328 120.400 0.150 0.000 2.350 396 D HA 0.000 4.640 4.640 0.001 0.000 0.249 396 D C -0.802 175.640 176.300 0.236 0.000 1.119 396 D CA 0.150 54.255 54.000 0.175 0.000 0.886 396 D CB 0.791 41.669 40.800 0.131 0.000 1.195 396 D HN 0.493 nan 8.370 nan 0.000 0.437 397 D N 2.112 122.606 120.400 0.158 0.000 2.348 397 D HA 0.019 4.659 4.640 0.001 0.000 0.253 397 D C 0.923 177.288 176.300 0.109 0.000 1.161 397 D CA -0.143 53.934 54.000 0.128 0.000 0.876 397 D CB 0.738 41.636 40.800 0.164 0.000 1.160 397 D HN 0.282 nan 8.370 nan 0.000 0.459 398 R N 2.076 122.595 120.500 0.032 0.000 2.276 398 R HA -0.014 4.327 4.340 0.001 0.000 0.203 398 R C 0.024 176.316 176.300 -0.013 0.000 1.017 398 R CA 0.631 56.732 56.100 0.001 0.000 1.010 398 R CB 0.445 30.674 30.300 -0.119 0.000 0.900 398 R HN 0.456 nan 8.270 nan 0.000 0.469 399 D N -0.255 120.107 120.400 -0.064 0.000 2.643 399 D HA -0.011 4.630 4.640 0.001 0.000 0.244 399 D C -0.249 175.754 176.300 -0.495 0.000 1.257 399 D CA -0.032 53.854 54.000 -0.189 0.000 0.831 399 D CB 0.126 40.842 40.800 -0.141 0.000 1.043 399 D HN 0.104 nan 8.370 nan 0.000 0.488 400 H N 1.234 120.103 119.070 -0.335 0.000 3.109 400 H HA -0.004 4.552 4.556 0.001 0.000 0.266 400 H C 0.928 176.201 175.328 -0.092 0.000 1.334 400 H CA -0.559 55.320 56.048 -0.282 0.000 1.456 400 H CB -0.226 29.483 29.762 -0.088 0.000 1.587 400 H HN -0.051 nan 8.280 nan 0.000 0.500 401 F N 3.719 123.538 119.950 -0.218 0.000 2.158 401 F HA -0.257 4.270 4.527 0.001 0.000 0.299 401 F C 2.319 178.171 175.800 0.088 0.000 1.060 401 F CA 2.101 60.062 58.000 -0.064 0.000 1.284 401 F CB -0.595 38.361 39.000 -0.073 0.000 1.035 401 F HN 0.676 nan 8.300 nan 0.000 0.496 402 G N -0.950 108.054 108.800 0.340 0.000 2.625 402 G HA2 -0.192 3.768 3.960 0.001 0.000 0.214 402 G HA3 -0.192 3.768 3.960 0.001 0.000 0.214 402 G C 1.294 176.185 174.900 -0.016 0.000 1.132 402 G CA 0.395 45.593 45.100 0.164 0.000 0.782 402 G HN 0.384 nan 8.290 nan 0.000 0.538 403 K N 0.080 120.461 120.400 -0.032 0.000 2.646 403 K HA 0.214 4.535 4.320 0.001 0.000 0.206 403 K C -0.212 176.320 176.600 -0.113 0.000 1.069 403 K CA -0.090 56.136 56.287 -0.102 0.000 1.067 403 K CB 0.755 33.211 32.500 -0.073 0.000 0.807 403 K HN 0.087 nan 8.250 nan 0.000 0.482 404 K N 1.332 121.628 120.400 -0.172 0.000 2.371 404 K HA 0.432 4.753 4.320 0.001 0.000 0.251 404 K C -0.564 175.873 176.600 -0.272 0.000 0.934 404 K CA -1.016 55.154 56.287 -0.194 0.000 0.798 404 K CB 2.211 34.601 32.500 -0.183 0.000 1.204 404 K HN -0.150 nan 8.250 nan 0.000 0.427 405 R N 2.367 122.754 120.500 -0.188 0.000 2.480 405 R HA 0.406 4.746 4.340 0.001 0.000 0.306 405 R C -0.412 175.816 176.300 -0.121 0.000 0.958 405 R CA -0.744 55.256 56.100 -0.166 0.000 0.861 405 R CB 1.111 31.338 30.300 -0.123 0.000 1.171 405 R HN 0.572 nan 8.270 nan 0.000 0.445 406 L N 3.808 124.961 121.223 -0.117 0.000 2.352 406 L HA 0.223 4.563 4.340 0.001 0.000 0.272 406 L C -0.075 176.767 176.870 -0.046 0.000 1.109 406 L CA -0.615 54.184 54.840 -0.068 0.000 0.952 406 L CB 0.300 42.327 42.059 -0.053 0.000 1.314 406 L HN 0.274 nan 8.230 nan 0.000 0.427 407 D N 2.436 122.812 120.400 -0.039 0.000 2.488 407 D HA 0.180 4.821 4.640 0.001 0.000 0.238 407 D C 0.043 176.327 176.300 -0.026 0.000 1.138 407 D CA 0.310 54.298 54.000 -0.019 0.000 0.873 407 D CB 2.015 42.808 40.800 -0.012 0.000 1.183 407 D HN 0.129 nan 8.370 nan 0.000 0.458 408 L N 1.128 122.350 121.223 -0.000 0.000 2.293 408 L HA 0.454 4.795 4.340 0.001 0.000 0.264 408 L C 1.611 178.493 176.870 0.021 0.000 1.029 408 L CA -0.477 54.364 54.840 0.001 0.000 0.897 408 L CB 0.664 42.736 42.059 0.021 0.000 1.497 408 L HN 0.411 nan 8.230 nan 0.000 0.495 409 A N 0.146 122.991 122.820 0.041 0.000 1.940 409 A HA -0.188 4.132 4.320 0.001 0.000 0.221 409 A C 1.808 179.460 177.584 0.113 0.000 1.190 409 A CA 2.424 54.513 52.037 0.087 0.000 0.647 409 A CB -1.605 17.502 19.000 0.179 0.000 0.821 409 A HN 0.885 nan 8.150 nan 0.000 0.457 410 G N -0.393 108.486 108.800 0.133 0.000 2.616 410 G HA2 -0.069 3.891 3.960 0.001 0.000 0.215 410 G HA3 -0.069 3.891 3.960 0.001 0.000 0.215 410 G C -0.206 174.673 174.900 -0.035 0.000 1.284 410 G CA 1.120 46.266 45.100 0.076 0.000 0.823 410 G HN 0.447 nan 8.290 nan 0.000 0.569 411 P HA -0.180 nan 4.420 nan 0.000 0.222 411 P C 2.034 179.395 177.300 0.101 0.000 1.155 411 P CA 1.123 64.283 63.100 0.100 0.000 0.890 411 P CB -0.156 31.596 31.700 0.086 0.000 0.790 412 L N -1.789 119.507 121.223 0.121 0.000 1.970 412 L HA -0.209 4.131 4.340 0.001 0.000 0.212 412 L C 2.542 179.558 176.870 0.244 0.000 1.071 412 L CA 1.615 56.654 54.840 0.332 0.000 0.751 412 L CB -1.255 41.019 42.059 0.359 0.000 0.889 412 L HN -0.048 nan 8.230 nan 0.000 0.432 413 L N -0.440 120.769 121.223 -0.023 0.000 2.081 413 L HA -0.257 4.083 4.340 0.001 0.000 0.212 413 L C 2.873 179.608 176.870 -0.225 0.000 1.080 413 L CA 1.111 55.764 54.840 -0.312 0.000 0.754 413 L CB -0.906 40.690 42.059 -0.771 0.000 0.893 413 L HN 0.308 nan 8.230 nan 0.000 0.433 414 A N -0.205 122.516 122.820 -0.165 0.000 1.849 414 A HA -0.338 3.982 4.320 0.001 0.000 0.217 414 A C 2.284 180.002 177.584 0.224 0.000 1.202 414 A CA 2.158 54.366 52.037 0.286 0.000 0.629 414 A CB -0.863 18.314 19.000 0.296 0.000 0.834 414 A HN 0.489 nan 8.150 nan 0.000 0.447 415 Q N -0.713 119.179 119.800 0.154 0.000 2.197 415 Q HA -0.194 4.146 4.340 0.001 0.000 0.207 415 Q C 2.052 178.084 176.000 0.053 0.000 0.984 415 Q CA 1.639 57.516 55.803 0.123 0.000 0.869 415 Q CB -0.213 28.623 28.738 0.163 0.000 0.906 415 Q HN 0.716 nan 8.270 nan 0.000 0.426 416 L N -0.622 120.588 121.223 -0.022 0.000 1.993 416 L HA -0.150 4.191 4.340 0.001 0.000 0.206 416 L C 2.315 179.218 176.870 0.055 0.000 1.074 416 L CA 0.985 55.742 54.840 -0.139 0.000 0.746 416 L CB -0.590 41.236 42.059 -0.388 0.000 0.896 416 L HN 0.266 nan 8.230 nan 0.000 0.435 417 F N 1.129 121.064 119.950 -0.025 0.000 2.111 417 F HA -0.330 4.197 4.527 0.001 0.000 0.300 417 F C 2.510 178.367 175.800 0.094 0.000 1.088 417 F CA 1.738 59.773 58.000 0.058 0.000 1.243 417 F CB -0.388 38.716 39.000 0.173 0.000 0.996 417 F HN -0.046 nan 8.300 nan 0.000 0.483 418 K N -0.746 119.718 120.400 0.106 0.000 1.978 418 K HA -0.169 4.152 4.320 0.001 0.000 0.214 418 K C 1.833 178.423 176.600 -0.018 0.000 1.049 418 K CA 2.187 58.482 56.287 0.013 0.000 0.939 418 K CB -0.637 31.898 32.500 0.060 0.000 0.721 418 K HN 0.208 nan 8.250 nan 0.000 0.441 419 T N 1.593 116.142 114.554 -0.008 0.000 3.077 419 T HA -0.049 4.301 4.350 0.001 0.000 0.269 419 T C 1.588 176.257 174.700 -0.050 0.000 1.146 419 T CA 0.722 62.802 62.100 -0.034 0.000 1.091 419 T CB 0.021 68.871 68.868 -0.032 0.000 0.892 419 T HN 0.125 nan 8.240 nan 0.000 0.533 420 L N -0.960 120.245 121.223 -0.031 0.000 2.347 420 L HA 0.262 4.602 4.340 0.001 0.000 0.196 420 L C 2.080 178.930 176.870 -0.033 0.000 1.072 420 L CA 0.292 55.120 54.840 -0.019 0.000 0.817 420 L CB -0.472 41.614 42.059 0.044 0.000 1.029 420 L HN 0.113 nan 8.230 nan 0.000 0.478 421 F N 1.858 121.635 119.950 -0.289 0.000 2.184 421 F HA -0.272 4.256 4.527 0.001 0.000 0.301 421 F C 2.224 177.849 175.800 -0.291 0.000 1.076 421 F CA 1.659 59.409 58.000 -0.416 0.000 1.295 421 F CB -0.263 38.243 39.000 -0.822 0.000 1.026 421 F HN -0.083 nan 8.300 nan 0.000 0.494 422 K N -0.127 120.056 120.400 -0.362 0.000 2.167 422 K HA -0.133 4.187 4.320 0.001 0.000 0.203 422 K C 2.123 178.562 176.600 -0.268 0.000 1.052 422 K CA 1.024 57.073 56.287 -0.396 0.000 0.956 422 K CB -0.176 32.181 32.500 -0.238 0.000 0.735 422 K HN 0.216 nan 8.250 nan 0.000 0.451 423 K N 0.838 121.135 120.400 -0.173 0.000 2.296 423 K HA -0.064 4.257 4.320 0.001 0.000 0.200 423 K C 1.845 178.383 176.600 -0.103 0.000 1.048 423 K CA 0.416 56.636 56.287 -0.111 0.000 0.966 423 K CB 0.177 32.634 32.500 -0.072 0.000 0.754 423 K HN -0.006 nan 8.250 nan 0.000 0.466 424 L N 0.442 121.581 121.223 -0.139 0.000 2.209 424 L HA -0.005 4.336 4.340 0.001 0.000 0.207 424 L C 1.832 178.614 176.870 -0.147 0.000 1.094 424 L CA 1.602 56.382 54.840 -0.099 0.000 0.790 424 L CB -0.326 41.705 42.059 -0.047 0.000 0.932 424 L HN 0.006 nan 8.230 nan 0.000 0.447 425 T N 0.475 114.836 114.554 -0.322 0.000 2.737 425 T HA -0.176 4.175 4.350 0.001 0.000 0.265 425 T C 1.232 175.864 174.700 -0.114 0.000 1.038 425 T CA 1.716 63.627 62.100 -0.315 0.000 1.144 425 T CB -0.211 68.319 68.868 -0.563 0.000 0.866 425 T HN 0.466 nan 8.240 nan 0.000 0.434 426 K N 0.902 121.227 120.400 -0.124 0.000 2.911 426 K HA 0.187 4.508 4.320 0.001 0.000 0.239 426 K C 0.351 176.973 176.600 0.038 0.000 1.090 426 K CA 0.195 56.453 56.287 -0.048 0.000 1.225 426 K CB 0.327 32.760 32.500 -0.111 0.000 1.087 426 K HN 0.124 nan 8.250 nan 0.000 0.464 427 D N 0.394 120.829 120.400 0.058 0.000 2.504 427 D HA 0.164 4.805 4.640 0.001 0.000 0.276 427 D C 1.594 177.973 176.300 0.132 0.000 1.073 427 D CA 0.185 54.232 54.000 0.079 0.000 0.905 427 D CB 0.389 41.210 40.800 0.035 0.000 1.350 427 D HN 0.248 nan 8.370 nan 0.000 0.496 428 I N 0.701 121.349 120.570 0.130 0.000 2.493 428 I HA -0.198 3.972 4.170 0.001 0.000 0.254 428 I C 2.073 178.331 176.117 0.235 0.000 1.160 428 I CA 0.711 62.107 61.300 0.160 0.000 1.445 428 I CB -0.114 37.985 38.000 0.165 0.000 1.086 428 I HN -0.076 nan 8.210 nan 0.000 0.433 429 F N 1.519 121.507 119.950 0.063 0.000 2.259 429 F HA -0.044 4.483 4.527 0.001 0.000 0.298 429 F C 2.568 178.406 175.800 0.064 0.000 1.088 429 F CA 1.260 59.293 58.000 0.055 0.000 1.358 429 F CB -0.143 38.871 39.000 0.023 0.000 1.040 429 F HN -0.134 nan 8.300 nan 0.000 0.505 430 R N -1.747 118.884 120.500 0.217 0.000 2.115 430 R HA -0.172 4.169 4.340 0.001 0.000 0.226 430 R C 1.986 178.347 176.300 0.101 0.000 1.100 430 R CA 1.251 57.430 56.100 0.132 0.000 0.980 430 R CB -0.734 29.642 30.300 0.128 0.000 0.875 430 R HN 0.338 nan 8.270 nan 0.000 0.445 431 Y N 1.498 121.804 120.300 0.010 0.000 2.133 431 Y HA -0.169 4.381 4.550 0.000 0.000 0.287 431 Y C 2.245 178.120 175.900 -0.041 0.000 1.134 431 Y CA 1.689 59.785 58.100 -0.005 0.000 1.133 431 Y CB -0.103 38.364 38.460 0.012 0.000 0.987 431 Y HN -0.120 nan 8.280 nan 0.000 0.502 432 M N -0.321 119.302 119.600 0.039 0.000 2.117 432 M HA -0.273 4.207 4.480 0.001 0.000 0.262 432 M C 2.187 178.383 176.300 -0.173 0.000 1.065 432 M CA 1.836 57.081 55.300 -0.093 0.000 1.114 432 M CB -0.491 32.046 32.600 -0.104 0.000 1.361 432 M HN 0.304 nan 8.290 nan 0.000 0.408 433 Q N 0.057 119.748 119.800 -0.182 0.000 2.135 433 Q HA -0.147 4.193 4.340 0.001 0.000 0.204 433 Q C 2.076 178.001 176.000 -0.125 0.000 0.981 433 Q CA 1.379 57.087 55.803 -0.157 0.000 0.856 433 Q CB -0.041 28.624 28.738 -0.121 0.000 0.902 433 Q HN 0.515 nan 8.270 nan 0.000 0.425 434 R N -1.016 119.401 120.500 -0.138 0.000 2.173 434 R HA 0.048 4.388 4.340 0.001 0.000 0.208 434 R C 2.070 178.250 176.300 -0.199 0.000 1.035 434 R CA 1.044 57.059 56.100 -0.142 0.000 1.004 434 R CB 0.179 30.408 30.300 -0.119 0.000 0.917 434 R HN 0.133 nan 8.270 nan 0.000 0.462 435 T N 0.684 115.059 114.554 -0.299 0.000 2.809 435 T HA -0.039 4.311 4.350 0.001 0.000 0.260 435 T C 1.861 176.453 174.700 -0.179 0.000 1.039 435 T CA 0.948 62.860 62.100 -0.314 0.000 1.141 435 T CB 0.017 68.595 68.868 -0.483 0.000 0.869 435 T HN -0.050 nan 8.240 nan 0.000 0.437 436 V N 1.485 121.308 119.914 -0.152 0.000 2.867 436 V HA -0.044 4.076 4.120 0.001 0.000 0.260 436 V C 1.385 177.427 176.094 -0.087 0.000 1.099 436 V CA 0.926 63.164 62.300 -0.103 0.000 1.122 436 V CB -0.763 31.002 31.823 -0.098 0.000 0.708 436 V HN 0.504 nan 8.190 nan 0.000 0.490 447 A N 0.139 122.716 122.820 -0.405 0.000 3.553 447 A HA -0.208 4.112 4.320 0.001 0.000 0.261 447 A C 0.322 177.704 177.584 -0.336 0.000 1.096 447 A CA 1.528 53.105 52.037 -0.767 0.000 1.308 447 A CB -2.216 15.745 19.000 -1.730 0.000 1.084 447 A HN 0.578 nan 8.150 nan 0.000 0.914 448 I N 1.388 121.865 120.570 -0.155 0.000 2.395 448 I HA 0.168 4.339 4.170 0.001 0.000 0.282 448 I C 0.432 176.552 176.117 0.005 0.000 1.107 448 I CA -0.377 60.898 61.300 -0.041 0.000 1.210 448 I CB 0.412 38.422 38.000 0.016 0.000 1.456 448 I HN 0.372 nan 8.210 nan 0.000 0.504 449 N N 4.238 122.941 118.700 0.004 0.000 2.736 449 N HA 0.023 4.763 4.740 0.001 0.000 0.307 449 N C 1.364 176.899 175.510 0.041 0.000 1.212 449 N CA 0.089 53.162 53.050 0.037 0.000 1.158 449 N CB 0.523 39.031 38.487 0.034 0.000 1.460 449 N HN 0.644 nan 8.380 nan 0.000 0.514 450 A N 2.445 125.293 122.820 0.047 0.000 2.292 450 A HA -0.133 4.187 4.320 0.001 0.000 0.205 450 A C 1.944 179.534 177.584 0.010 0.000 1.243 450 A CA 0.708 52.714 52.037 -0.052 0.000 0.783 450 A CB -0.412 18.419 19.000 -0.283 0.000 0.760 450 A HN 0.679 nan 8.150 nan 0.000 0.498 451 K N -1.077 119.368 120.400 0.074 0.000 2.379 451 K HA 0.000 4.321 4.320 0.001 0.000 0.194 451 K C 1.361 177.996 176.600 0.058 0.000 1.031 451 K CA 0.979 57.319 56.287 0.089 0.000 1.037 451 K CB -0.002 32.555 32.500 0.095 0.000 0.824 451 K HN 0.369 nan 8.250 nan 0.000 0.516 452 T N 1.573 116.151 114.554 0.041 0.000 2.737 452 T HA -0.077 4.273 4.350 0.001 0.000 0.265 452 T C 1.766 176.488 174.700 0.038 0.000 1.038 452 T CA 1.413 63.532 62.100 0.031 0.000 1.144 452 T CB -0.063 68.818 68.868 0.021 0.000 0.866 452 T HN 0.165 nan 8.240 nan 0.000 0.434 453 I N 1.091 121.692 120.570 0.052 0.000 2.193 453 I HA -0.132 4.039 4.170 0.001 0.000 0.240 453 I C 2.755 178.910 176.117 0.065 0.000 1.084 453 I CA 1.065 62.417 61.300 0.086 0.000 1.365 453 I CB -1.103 36.984 38.000 0.145 0.000 1.064 453 I HN 0.198 nan 8.210 nan 0.000 0.410 454 T N 1.020 115.605 114.554 0.052 0.000 2.620 454 T HA -0.258 4.092 4.350 0.001 0.000 0.267 454 T C 2.085 176.826 174.700 0.068 0.000 1.044 454 T CA 2.331 64.472 62.100 0.067 0.000 1.161 454 T CB -0.569 68.362 68.868 0.105 0.000 0.862 454 T HN 0.588 nan 8.240 nan 0.000 0.438 455 S N 1.519 117.260 115.700 0.068 0.000 2.335 455 S HA 0.003 4.473 4.470 0.001 0.000 0.216 455 S C 2.475 177.120 174.600 0.076 0.000 1.032 455 S CA 1.226 59.470 58.200 0.073 0.000 1.000 455 S CB -1.465 61.778 63.200 0.071 0.000 0.928 455 S HN 0.540 nan 8.310 nan 0.000 0.434 456 G N 2.353 111.178 108.800 0.041 0.000 2.547 456 G HA2 -0.224 3.736 3.960 0.001 0.000 0.221 456 G HA3 -0.224 3.736 3.960 0.001 0.000 0.221 456 G C 1.483 176.382 174.900 -0.001 0.000 1.140 456 G CA 1.328 46.429 45.100 0.001 0.000 0.760 456 G HN 0.485 nan 8.290 nan 0.000 0.583 457 L N -0.221 120.997 121.223 -0.008 0.000 2.012 457 L HA -0.121 4.219 4.340 0.001 0.000 0.210 457 L C 3.070 179.930 176.870 -0.016 0.000 1.073 457 L CA 1.691 56.501 54.840 -0.051 0.000 0.748 457 L CB -0.380 41.671 42.059 -0.013 0.000 0.891 457 L HN 0.244 nan 8.230 nan 0.000 0.431 458 K N -0.753 119.673 120.400 0.042 0.000 1.969 458 K HA -0.277 4.043 4.320 0.001 0.000 0.216 458 K C 2.068 178.712 176.600 0.074 0.000 1.048 458 K CA 2.109 58.429 56.287 0.055 0.000 0.948 458 K CB -0.661 31.877 32.500 0.065 0.000 0.726 458 K HN 0.122 nan 8.250 nan 0.000 0.442 459 Y N 1.370 121.660 120.300 -0.016 0.000 2.108 459 Y HA -0.433 4.118 4.550 0.001 0.000 0.274 459 Y C 2.082 177.981 175.900 -0.002 0.000 1.229 459 Y CA 1.959 60.054 58.100 -0.008 0.000 1.129 459 Y CB -0.386 38.063 38.460 -0.017 0.000 0.946 459 Y HN 0.216 nan 8.280 nan 0.000 0.509 460 A N 0.134 123.111 122.820 0.262 0.000 1.827 460 A HA -0.210 4.110 4.320 0.001 0.000 0.215 460 A C 1.827 179.537 177.584 0.210 0.000 1.212 460 A CA 1.913 54.052 52.037 0.170 0.000 0.624 460 A CB -1.345 17.463 19.000 -0.319 0.000 0.853 460 A HN 0.420 nan 8.150 nan 0.000 0.450 461 L N -0.263 121.030 121.223 0.117 0.000 2.661 461 L HA -0.106 4.234 4.340 0.001 0.000 0.236 461 L C 2.389 179.278 176.870 0.031 0.000 1.176 461 L CA 1.386 56.273 54.840 0.078 0.000 0.836 461 L CB -0.805 41.194 42.059 -0.100 0.000 0.960 461 L HN 0.493 nan 8.230 nan 0.000 0.455 462 A N -2.342 120.487 122.820 0.015 0.000 2.035 462 A HA 0.085 4.405 4.320 0.001 0.000 0.208 462 A C 2.092 179.634 177.584 -0.069 0.000 1.206 462 A CA 1.089 53.103 52.037 -0.038 0.000 0.773 462 A CB -0.058 18.895 19.000 -0.078 0.000 0.878 462 A HN 0.373 nan 8.150 nan 0.000 0.469 463 T N -2.638 111.871 114.554 -0.076 0.000 3.087 463 T HA 0.449 4.799 4.350 0.001 0.000 0.237 463 T C 1.518 176.229 174.700 0.019 0.000 0.990 463 T CA 1.089 63.141 62.100 -0.079 0.000 1.160 463 T CB 0.326 69.081 68.868 -0.188 0.000 0.923 463 T HN 1.272 nan 8.240 nan 0.000 0.442 464 G N 1.626 110.495 108.800 0.115 0.000 2.480 464 G HA2 -0.166 3.794 3.960 0.001 0.000 0.193 464 G HA3 -0.166 3.794 3.960 0.001 0.000 0.193 464 G C -0.067 174.964 174.900 0.218 0.000 1.004 464 G CA -0.579 44.591 45.100 0.116 0.000 0.696 464 G HN 0.491 nan 8.290 nan 0.000 0.478 465 N N 1.232 120.085 118.700 0.255 0.000 2.434 465 N HA 0.116 4.856 4.740 0.001 0.000 0.273 465 N C 1.001 176.768 175.510 0.428 0.000 1.210 465 N CA -0.331 52.904 53.050 0.309 0.000 0.992 465 N CB 0.426 39.128 38.487 0.358 0.000 1.355 465 N HN 0.527 nan 8.380 nan 0.000 0.495 466 W N 2.592 123.929 121.300 0.063 0.000 2.282 466 W HA -0.120 4.540 4.660 0.001 0.000 0.325 466 W C 1.610 178.145 176.519 0.028 0.000 1.211 466 W CA 0.364 57.732 57.345 0.038 0.000 1.209 466 W CB -0.129 29.337 29.460 0.010 0.000 1.185 466 W HN 0.471 nan 8.180 nan 0.000 0.454 467 G N 2.155 111.072 108.800 0.194 0.000 2.615 467 G HA2 0.000 3.961 3.960 0.001 0.000 0.273 467 G HA3 0.000 3.961 3.960 0.001 0.000 0.273 467 G C -0.100 174.764 174.900 -0.059 0.000 0.657 467 G CA 0.867 45.986 45.100 0.032 0.000 2.071 467 G HN 0.530 nan 8.290 nan 0.000 0.562 468 E N -0.769 119.338 120.200 -0.156 0.000 3.303 468 E HA -0.324 4.027 4.350 0.001 0.000 0.309 468 E C 1.155 177.473 176.600 -0.469 0.000 1.470 468 E CA 1.906 58.131 56.400 -0.291 0.000 1.869 468 E CB -0.604 28.972 29.700 -0.207 0.000 1.914 468 E HN 0.613 nan 8.360 nan 0.000 0.498 469 Q N 0.302 119.839 119.800 -0.438 0.000 1.989 469 Q HA 0.405 4.745 4.340 0.001 0.000 0.166 469 Q C -0.372 175.541 176.000 -0.145 0.000 0.536 469 Q CA -0.523 55.045 55.803 -0.392 0.000 0.651 469 Q CB 0.278 28.735 28.738 -0.469 0.000 1.468 469 Q HN 0.348 nan 8.270 nan 0.000 0.350 470 K N 0.795 121.127 120.400 -0.113 0.000 2.061 470 K HA -0.220 4.100 4.320 0.001 0.000 0.519 470 K C -0.766 175.822 176.600 -0.021 0.000 1.621 470 K CA 1.110 57.365 56.287 -0.053 0.000 1.039 470 K CB -0.269 32.200 32.500 -0.051 0.000 1.584 470 K HN 0.227 nan 8.250 nan 0.000 0.770 471 K N 1.148 121.542 120.400 -0.009 0.000 2.652 471 K HA 0.236 4.556 4.320 0.001 0.000 0.239 471 K C -0.415 176.187 176.600 0.004 0.000 1.235 471 K CA 0.309 56.598 56.287 0.003 0.000 1.191 471 K CB -0.112 32.390 32.500 0.003 0.000 1.348 471 K HN 0.456 nan 8.250 nan 0.000 0.239 472 A N 0.968 123.792 122.820 0.008 0.000 2.582 472 A HA 0.300 4.620 4.320 0.001 0.000 0.297 472 A C 0.077 177.677 177.584 0.027 0.000 1.059 472 A CA -0.763 51.282 52.037 0.013 0.000 0.705 472 A CB 0.880 19.883 19.000 0.005 0.000 1.279 472 A HN 0.394 nan 8.150 nan 0.000 0.404 473 M N 1.888 121.507 119.600 0.033 0.000 2.561 473 M HA -0.015 4.466 4.480 0.001 0.000 0.238 473 M C 2.054 178.383 176.300 0.048 0.000 1.131 473 M CA 0.889 56.216 55.300 0.046 0.000 1.046 473 M CB -0.417 32.206 32.600 0.037 0.000 1.532 473 M HN 1.104 nan 8.290 nan 0.000 0.497 474 S N 0.660 116.382 115.700 0.037 0.000 2.636 474 S HA -0.307 4.164 4.470 0.001 0.000 0.344 474 S C 1.301 175.935 174.600 0.058 0.000 1.333 474 S CA 2.102 60.324 58.200 0.038 0.000 1.176 474 S CB -1.623 61.591 63.200 0.024 0.000 1.291 474 S HN 0.673 nan 8.310 nan 0.000 0.453 475 S N 3.188 118.938 115.700 0.084 0.000 2.549 475 S HA 0.464 4.934 4.470 0.001 0.000 0.260 475 S C 0.231 174.888 174.600 0.095 0.000 1.217 475 S CA -0.795 57.478 58.200 0.122 0.000 1.001 475 S CB 0.061 63.385 63.200 0.206 0.000 1.059 475 S HN 0.877 nan 8.310 nan 0.000 0.537 476 R N -0.116 120.444 120.500 0.099 0.000 2.371 476 R HA 0.706 5.046 4.340 0.001 0.000 0.312 476 R C -0.893 175.426 176.300 0.030 0.000 0.980 476 R CA -0.660 55.465 56.100 0.041 0.000 0.867 476 R CB 1.026 31.326 30.300 0.001 0.000 1.163 476 R HN 0.645 nan 8.270 nan 0.000 0.492 477 A N 2.023 124.863 122.820 0.034 0.000 2.409 477 A HA 0.596 4.916 4.320 0.001 0.000 0.267 477 A C 1.063 178.637 177.584 -0.018 0.000 1.127 477 A CA 0.514 52.567 52.037 0.027 0.000 0.795 477 A CB 0.362 19.384 19.000 0.037 0.000 1.061 477 A HN 1.049 nan 8.150 nan 0.000 0.502 478 G N 1.366 110.138 108.800 -0.045 0.000 3.819 478 G HA2 0.050 4.010 3.960 0.001 0.000 0.210 478 G HA3 0.050 4.010 3.960 0.001 0.000 0.210 478 G C 0.108 174.938 174.900 -0.117 0.000 1.018 478 G CA 0.158 45.217 45.100 -0.068 0.000 0.882 478 G HN 1.089 nan 8.290 nan 0.000 0.377 479 V N 2.264 122.048 119.914 -0.217 0.000 2.788 479 V HA 0.400 4.521 4.120 0.001 0.000 0.307 479 V C 1.240 177.177 176.094 -0.262 0.000 1.069 479 V CA 0.969 63.046 62.300 -0.372 0.000 1.173 479 V CB 0.888 32.219 31.823 -0.820 0.000 0.925 479 V HN 1.999 nan 8.190 nan 0.000 0.492 480 S N 2.758 118.318 115.700 -0.234 0.000 3.516 480 S HA -0.152 4.318 4.470 0.001 0.000 0.562 480 S C -0.283 174.284 174.600 -0.056 0.000 0.655 480 S CA 1.131 59.255 58.200 -0.126 0.000 1.400 480 S CB -0.706 62.461 63.200 -0.055 0.000 0.946 480 S HN 0.908 nan 8.310 nan 0.000 0.871 481 Q N 2.078 121.859 119.800 -0.032 0.000 3.067 481 Q HA 0.799 5.139 4.340 0.001 0.000 0.200 481 Q C -0.472 175.542 176.000 0.023 0.000 1.068 481 Q CA -0.964 54.852 55.803 0.021 0.000 0.800 481 Q CB 0.814 29.612 28.738 0.100 0.000 2.832 481 Q HN 0.503 nan 8.270 nan 0.000 0.405 482 V N 1.978 121.931 119.914 0.066 0.000 2.326 482 V HA 0.173 4.293 4.120 0.001 0.000 0.281 482 V C -0.532 175.601 176.094 0.064 0.000 1.015 482 V CA -0.706 61.604 62.300 0.017 0.000 0.823 482 V CB 0.981 32.790 31.823 -0.023 0.000 1.009 482 V HN 0.500 nan 8.190 nan 0.000 0.436 483 L N 5.214 126.405 121.223 -0.053 0.000 2.769 483 L HA -0.053 4.288 4.340 0.001 0.000 0.293 483 L C 0.504 177.358 176.870 -0.027 0.000 1.224 483 L CA 0.897 55.690 54.840 -0.080 0.000 0.906 483 L CB -0.072 41.768 42.059 -0.365 0.000 1.193 483 L HN 0.653 nan 8.230 nan 0.000 0.488 484 N N 4.382 123.202 118.700 0.201 0.000 2.400 484 N HA 0.103 4.843 4.740 0.001 0.000 0.267 484 N C 0.025 175.401 175.510 -0.224 0.000 1.208 484 N CA 0.083 53.122 53.050 -0.018 0.000 0.951 484 N CB 0.211 38.834 38.487 0.226 0.000 1.227 484 N HN 0.382 nan 8.380 nan 0.000 0.488 485 R N 1.978 122.136 120.500 -0.570 0.000 3.351 485 R HA 0.214 4.554 4.340 0.001 0.000 0.296 485 R C 0.233 176.109 176.300 -0.707 0.000 1.427 485 R CA -0.157 55.557 56.100 -0.644 0.000 1.257 485 R CB -0.505 29.250 30.300 -0.909 0.000 1.378 485 R HN 0.577 nan 8.270 nan 0.000 0.610 486 Y N -1.944 118.237 120.300 -0.199 0.000 2.138 486 Y HA 0.137 4.687 4.550 0.001 0.000 0.286 486 Y C 0.886 176.807 175.900 0.036 0.000 1.115 486 Y CA 0.796 58.832 58.100 -0.108 0.000 1.105 486 Y CB 0.460 38.859 38.460 -0.102 0.000 1.004 486 Y HN -0.125 nan 8.280 nan 0.000 0.494 487 T N -1.374 113.323 114.554 0.238 0.000 2.909 487 T HA 0.132 4.482 4.350 0.001 0.000 0.299 487 T C -0.236 174.601 174.700 0.229 0.000 1.073 487 T CA -0.725 61.519 62.100 0.239 0.000 0.999 487 T CB 1.424 70.405 68.868 0.189 0.000 1.098 487 T HN 0.086 nan 8.240 nan 0.000 0.477 488 Y N 3.163 123.547 120.300 0.140 0.000 2.002 488 Y HA -0.291 4.259 4.550 0.001 0.000 0.268 488 Y C 2.797 178.758 175.900 0.102 0.000 1.177 488 Y CA 2.909 61.071 58.100 0.105 0.000 1.111 488 Y CB -0.781 37.701 38.460 0.037 0.000 0.952 488 Y HN 0.769 nan 8.280 nan 0.000 0.491 489 S N -1.224 114.556 115.700 0.134 0.000 2.389 489 S HA -0.343 4.127 4.470 0.001 0.000 0.231 489 S C 2.308 176.874 174.600 -0.056 0.000 1.052 489 S CA 1.899 60.119 58.200 0.032 0.000 1.053 489 S CB -1.448 61.837 63.200 0.143 0.000 0.886 489 S HN 0.567 nan 8.310 nan 0.000 0.456 490 S N 1.490 117.193 115.700 0.005 0.000 2.343 490 S HA -0.150 4.320 4.470 0.001 0.000 0.219 490 S C 2.040 176.632 174.600 -0.013 0.000 1.033 490 S CA 2.046 60.252 58.200 0.010 0.000 1.014 490 S CB -1.463 61.787 63.200 0.083 0.000 0.915 490 S HN 0.731 nan 8.310 nan 0.000 0.435 491 T N 3.596 118.123 114.554 -0.046 0.000 2.649 491 T HA -0.182 4.169 4.350 0.001 0.000 0.268 491 T C 1.720 176.348 174.700 -0.120 0.000 1.036 491 T CA 1.936 63.986 62.100 -0.083 0.000 1.157 491 T CB -0.755 68.034 68.868 -0.132 0.000 0.861 491 T HN 0.342 nan 8.240 nan 0.000 0.445 492 L N 0.598 121.676 121.223 -0.242 0.000 1.943 492 L HA -0.172 4.168 4.340 0.001 0.000 0.215 492 L C 2.888 179.703 176.870 -0.092 0.000 1.074 492 L CA 1.656 56.375 54.840 -0.202 0.000 0.759 492 L CB -1.148 40.752 42.059 -0.264 0.000 0.888 492 L HN 0.297 nan 8.230 nan 0.000 0.433 493 S N -0.817 114.838 115.700 -0.075 0.000 2.407 493 S HA -0.403 4.067 4.470 0.001 0.000 0.244 493 S C 2.026 176.647 174.600 0.034 0.000 1.077 493 S CA 2.191 60.373 58.200 -0.031 0.000 1.159 493 S CB -0.727 62.452 63.200 -0.034 0.000 1.045 493 S HN 0.574 nan 8.310 nan 0.000 0.438 494 H N -0.047 118.981 119.070 -0.070 0.000 2.518 494 H HA -0.023 4.533 4.556 0.001 0.000 0.294 494 H C 1.819 177.118 175.328 -0.049 0.000 1.083 494 H CA 1.247 57.261 56.048 -0.056 0.000 1.264 494 H CB -0.050 29.681 29.762 -0.051 0.000 1.370 494 H HN 0.401 nan 8.280 nan 0.000 0.560 495 L N -0.274 120.930 121.223 -0.032 0.000 2.249 495 L HA 0.024 4.365 4.340 0.001 0.000 0.207 495 L C 1.570 178.412 176.870 -0.047 0.000 1.090 495 L CA 0.446 55.238 54.840 -0.080 0.000 0.802 495 L CB 0.078 42.107 42.059 -0.049 0.000 0.947 495 L HN 0.125 nan 8.230 nan 0.000 0.453 496 R N 0.545 121.027 120.500 -0.030 0.000 2.752 496 R HA 0.138 4.478 4.340 0.001 0.000 0.279 496 R C 0.228 176.519 176.300 -0.015 0.000 1.212 496 R CA -0.174 55.909 56.100 -0.028 0.000 1.169 496 R CB -0.172 30.106 30.300 -0.037 0.000 1.286 496 R HN 0.143 nan 8.270 nan 0.000 0.564 497 R N 0.611 121.110 120.500 -0.001 0.000 2.349 497 R HA 0.193 4.534 4.340 0.001 0.000 0.299 497 R C -0.597 175.701 176.300 -0.003 0.000 1.027 497 R CA 0.051 56.160 56.100 0.014 0.000 0.958 497 R CB 1.219 31.569 30.300 0.083 0.000 1.047 497 R HN -0.111 nan 8.270 nan 0.000 0.468 498 T N 2.538 117.089 114.554 -0.004 0.000 2.925 498 T HA 0.352 4.702 4.350 0.001 0.000 0.285 498 T C -0.905 173.788 174.700 -0.011 0.000 1.021 498 T CA -0.584 61.515 62.100 -0.002 0.000 1.042 498 T CB 1.254 70.136 68.868 0.024 0.000 1.037 498 T HN 0.628 nan 8.240 nan 0.000 0.481 499 N N -0.064 118.626 118.700 -0.017 0.000 2.509 499 N HA 0.695 5.435 4.740 0.001 0.000 0.280 499 N C -1.770 173.732 175.510 -0.013 0.000 1.306 499 N CA -0.461 52.574 53.050 -0.026 0.000 0.782 499 N CB 2.207 40.663 38.487 -0.051 0.000 1.493 499 N HN 0.488 nan 8.380 nan 0.000 0.498 500 T N 1.487 116.033 114.554 -0.015 0.000 3.172 500 T HA 0.430 4.780 4.350 0.001 0.000 0.320 500 T C -2.924 171.769 174.700 -0.012 0.000 1.085 500 T CA -0.654 61.444 62.100 -0.003 0.000 1.052 500 T CB 1.906 70.785 68.868 0.019 0.000 1.107 500 T HN 0.446 nan 8.240 nan 0.000 0.458 501 P HA 0.554 nan 4.420 nan 0.000 0.286 501 P C -0.969 176.326 177.300 -0.008 0.000 1.269 501 P CA -0.554 62.538 63.100 -0.014 0.000 0.787 501 P CB 0.636 32.327 31.700 -0.015 0.000 0.920 511 P HA -0.083 nan 4.420 nan 0.000 0.210 511 P C 0.983 178.329 177.300 0.077 0.000 1.185 511 P CA 1.653 64.790 63.100 0.061 0.000 0.924 511 P CB -0.137 31.584 31.700 0.035 0.000 0.786 512 R N -0.815 119.709 120.500 0.041 0.000 2.153 512 R HA -0.180 4.161 4.340 0.001 0.000 0.252 512 R C 1.289 177.612 176.300 0.039 0.000 1.158 512 R CA 0.974 57.090 56.100 0.026 0.000 0.975 512 R CB -1.055 29.250 30.300 0.008 0.000 0.871 512 R HN 0.326 nan 8.270 nan 0.000 0.450 513 Q N 0.553 120.388 119.800 0.059 0.000 2.450 513 Q HA -0.018 4.322 4.340 0.001 0.000 0.294 513 Q C -0.773 175.299 176.000 0.120 0.000 1.129 513 Q CA 0.392 56.237 55.803 0.070 0.000 0.970 513 Q CB 0.347 29.129 28.738 0.073 0.000 1.294 513 Q HN 0.065 nan 8.270 nan 0.000 0.453 514 L N 2.739 124.023 121.223 0.101 0.000 2.257 514 L HA 0.302 4.643 4.340 0.001 0.000 0.290 514 L C -0.961 176.039 176.870 0.216 0.000 1.044 514 L CA -0.025 54.911 54.840 0.161 0.000 0.810 514 L CB 0.524 42.620 42.059 0.061 0.000 1.193 514 L HN 0.683 nan 8.230 nan 0.000 0.425 515 H N 2.779 122.049 119.070 0.333 0.000 2.508 515 H HA 0.366 4.923 4.556 0.001 0.000 0.358 515 H C 0.939 176.267 175.328 -0.000 0.000 1.212 515 H CA 0.498 56.539 56.048 -0.012 0.000 1.356 515 H CB 1.061 30.578 29.762 -0.408 0.000 1.525 515 H HN 0.780 nan 8.280 nan 0.000 0.578 516 N N -0.220 118.340 118.700 -0.234 0.000 2.080 516 N HA -0.177 4.564 4.740 0.001 0.000 0.189 516 N C 1.560 177.155 175.510 0.140 0.000 1.036 516 N CA 1.475 54.507 53.050 -0.029 0.000 0.846 516 N CB -0.111 38.289 38.487 -0.145 0.000 1.015 516 N HN 0.725 nan 8.380 nan 0.000 0.423 517 T N -0.443 114.239 114.554 0.213 0.000 2.802 517 T HA -0.219 4.132 4.350 0.001 0.000 0.269 517 T C 1.534 176.290 174.700 0.092 0.000 1.062 517 T CA 1.218 63.363 62.100 0.075 0.000 1.133 517 T CB -0.600 68.177 68.868 -0.151 0.000 0.852 517 T HN 0.266 nan 8.240 nan 0.000 0.485 518 H N -0.410 118.667 119.070 0.011 0.000 2.489 518 H HA 0.037 4.593 4.556 0.001 0.000 0.293 518 H C 1.028 176.326 175.328 -0.051 0.000 1.066 518 H CA 0.484 56.394 56.048 -0.231 0.000 1.305 518 H CB -0.661 28.967 29.762 -0.223 0.000 1.386 518 H HN 0.594 nan 8.280 nan 0.000 0.551 519 W N 2.147 123.475 121.300 0.047 0.000 2.409 519 W HA 0.037 4.697 4.660 0.001 0.000 0.338 519 W C 1.185 177.729 176.519 0.042 0.000 1.273 519 W CA 1.894 59.258 57.345 0.032 0.000 1.299 519 W CB 0.077 29.549 29.460 0.021 0.000 1.192 519 W HN 0.517 nan 8.180 nan 0.000 0.565 520 G N 4.166 112.567 108.800 -0.665 0.000 2.562 520 G HA2 -0.395 3.566 3.960 0.001 0.000 0.241 520 G HA3 -0.395 3.566 3.960 0.001 0.000 0.241 520 G C 1.027 175.851 174.900 -0.127 0.000 1.120 520 G CA 0.816 45.663 45.100 -0.421 0.000 0.673 520 G HN 0.588 nan 8.290 nan 0.000 0.519 521 L N -0.013 121.208 121.223 -0.003 0.000 2.162 521 L HA 0.291 4.631 4.340 0.001 0.000 0.205 521 L C 1.093 177.968 176.870 0.007 0.000 1.086 521 L CA 0.883 55.773 54.840 0.082 0.000 0.778 521 L CB -0.269 41.979 42.059 0.315 0.000 0.928 521 L HN 0.226 nan 8.230 nan 0.000 0.446 522 V N -1.111 118.741 119.914 -0.104 0.000 2.864 522 V HA 0.217 4.337 4.120 0.001 0.000 0.314 522 V C -0.276 175.712 176.094 -0.177 0.000 1.073 522 V CA -1.239 60.962 62.300 -0.164 0.000 0.956 522 V CB 2.637 34.260 31.823 -0.334 0.000 1.023 522 V HN 0.205 nan 8.190 nan 0.000 0.435 523 C N 5.969 125.179 119.300 -0.150 0.000 2.652 523 C HA 0.372 4.833 4.460 0.001 0.000 0.412 523 C C -0.355 174.550 174.990 -0.140 0.000 1.294 523 C CA -0.694 58.244 59.018 -0.133 0.000 2.127 523 C CB 0.729 28.409 27.740 -0.100 0.000 2.691 523 C HN 0.870 nan 8.230 nan 0.000 0.615 524 P HA 0.090 nan 4.420 nan 0.000 0.224 524 P C 0.881 178.147 177.300 -0.056 0.000 1.159 524 P CA 1.645 64.698 63.100 -0.077 0.000 0.824 524 P CB 0.153 31.832 31.700 -0.036 0.000 0.833 525 A N 0.352 123.144 122.820 -0.047 0.000 1.997 525 A HA 0.018 4.338 4.320 0.001 0.000 0.212 525 A C 1.435 179.002 177.584 -0.028 0.000 1.178 525 A CA 0.081 52.101 52.037 -0.028 0.000 0.698 525 A CB -0.767 18.220 19.000 -0.021 0.000 0.842 525 A HN 0.203 nan 8.150 nan 0.000 0.458 526 E N 1.176 121.348 120.200 -0.048 0.000 1.944 526 E HA 0.309 4.659 4.350 0.001 0.000 0.272 526 E C -0.735 175.831 176.600 -0.057 0.000 1.195 526 E CA 0.101 56.472 56.400 -0.048 0.000 0.926 526 E CB -0.072 29.593 29.700 -0.058 0.000 1.051 526 E HN 0.191 nan 8.360 nan 0.000 0.404 527 T N 4.483 119.012 114.554 -0.043 0.000 2.932 527 T HA 0.366 4.716 4.350 0.001 0.000 0.318 527 T C -2.806 171.868 174.700 -0.044 0.000 1.265 527 T CA -1.630 60.440 62.100 -0.051 0.000 1.036 527 T CB 1.557 70.392 68.868 -0.054 0.000 1.209 527 T HN 0.305 nan 8.240 nan 0.000 0.484 528 P HA 0.221 nan 4.420 nan 0.000 0.268 528 P C -0.562 176.700 177.300 -0.064 0.000 1.205 528 P CA -0.095 62.963 63.100 -0.070 0.000 0.771 528 P CB 0.621 32.277 31.700 -0.074 0.000 0.858 529 E N 0.887 121.033 120.200 -0.090 0.000 2.343 529 E HA 0.389 4.739 4.350 0.001 0.000 0.269 529 E C 1.044 177.597 176.600 -0.079 0.000 1.047 529 E CA -0.312 56.033 56.400 -0.091 0.000 0.874 529 E CB 0.247 29.838 29.700 -0.182 0.000 1.033 529 E HN 0.731 nan 8.360 nan 0.000 0.409 530 G N 1.913 110.679 108.800 -0.057 0.000 2.581 530 G HA2 -0.445 3.516 3.960 0.001 0.000 0.289 530 G HA3 -0.445 3.516 3.960 0.001 0.000 0.289 530 G C 0.497 175.369 174.900 -0.047 0.000 1.303 530 G CA 0.722 45.792 45.100 -0.050 0.000 0.931 530 G HN 0.943 nan 8.290 nan 0.000 0.555 531 Q N -2.527 117.246 119.800 -0.045 0.000 2.529 531 Q HA -0.268 4.073 4.340 0.001 0.000 0.456 531 Q C 1.533 177.511 176.000 -0.036 0.000 0.545 531 Q CA 2.704 58.482 55.803 -0.041 0.000 0.985 531 Q CB -1.675 27.034 28.738 -0.048 0.000 2.233 531 Q HN 2.492 nan 8.270 nan 0.000 1.039 532 A N 0.735 123.532 122.820 -0.039 0.000 3.091 532 A HA 0.427 4.747 4.320 0.001 0.000 0.264 532 A C -0.101 177.461 177.584 -0.037 0.000 1.673 532 A CA 0.054 52.070 52.037 -0.035 0.000 1.362 532 A CB -0.379 18.600 19.000 -0.036 0.000 1.137 532 A HN 0.517 nan 8.150 nan 0.000 0.617 533 C N 1.238 120.518 119.300 -0.033 0.000 2.325 533 C HA 0.595 5.056 4.460 0.001 0.000 0.347 533 C C 1.574 176.547 174.990 -0.027 0.000 1.263 533 C CA 1.045 60.044 59.018 -0.032 0.000 1.806 533 C CB -1.010 26.715 27.740 -0.026 0.000 2.405 533 C HN 1.770 nan 8.230 nan 0.000 0.537 534 G N 4.810 113.588 108.800 -0.038 0.000 2.176 534 G HA2 -0.235 3.726 3.960 0.001 0.000 0.253 534 G HA3 -0.235 3.726 3.960 0.001 0.000 0.253 534 G C 0.500 175.378 174.900 -0.036 0.000 0.979 534 G CA 0.570 45.644 45.100 -0.043 0.000 0.641 534 G HN 0.720 nan 8.290 nan 0.000 0.530 535 L N -0.171 121.035 121.223 -0.029 0.000 2.354 535 L HA 0.338 4.678 4.340 0.001 0.000 0.212 535 L C 0.916 177.771 176.870 -0.024 0.000 1.091 535 L CA 0.478 55.307 54.840 -0.017 0.000 0.828 535 L CB 0.500 42.549 42.059 -0.017 0.000 0.973 535 L HN 0.141 nan 8.230 nan 0.000 0.461 536 V N 0.884 120.775 119.914 -0.039 0.000 2.398 536 V HA 0.299 4.419 4.120 0.001 0.000 0.286 536 V C -0.368 175.691 176.094 -0.058 0.000 1.026 536 V CA -0.606 61.670 62.300 -0.041 0.000 0.868 536 V CB 1.549 33.346 31.823 -0.043 0.000 0.982 536 V HN 0.148 nan 8.190 nan 0.000 0.443 537 K N 3.620 123.986 120.400 -0.057 0.000 2.400 537 K HA 0.600 4.920 4.320 0.001 0.000 0.246 537 K C -1.057 175.507 176.600 -0.061 0.000 0.995 537 K CA -1.022 55.212 56.287 -0.088 0.000 0.840 537 K CB 1.977 34.392 32.500 -0.141 0.000 1.293 537 K HN 0.462 nan 8.250 nan 0.000 0.445 538 N N 1.850 120.506 118.700 -0.075 0.000 2.399 538 N HA 0.300 5.040 4.740 0.001 0.000 0.280 538 N C -0.688 174.787 175.510 -0.058 0.000 1.008 538 N CA -0.535 52.483 53.050 -0.054 0.000 0.894 538 N CB 1.354 39.809 38.487 -0.053 0.000 1.273 538 N HN 0.399 nan 8.380 nan 0.000 0.486 539 L N 1.308 122.511 121.223 -0.033 0.000 2.543 539 L HA 0.010 4.350 4.340 0.001 0.000 0.285 539 L C 1.474 178.319 176.870 -0.042 0.000 1.236 539 L CA 0.289 55.114 54.840 -0.025 0.000 0.871 539 L CB 0.004 42.053 42.059 -0.017 0.000 1.121 539 L HN 0.411 nan 8.230 nan 0.000 0.501 540 S N 1.884 117.556 115.700 -0.046 0.000 2.629 540 S HA 0.109 4.579 4.470 0.001 0.000 0.250 540 S C 1.311 175.905 174.600 -0.010 0.000 1.318 540 S CA -0.415 57.757 58.200 -0.047 0.000 0.970 540 S CB 0.331 63.488 63.200 -0.071 0.000 0.996 540 S HN 0.484 nan 8.310 nan 0.000 0.563 541 L N 0.144 121.385 121.223 0.030 0.000 2.145 541 L HA -0.013 4.327 4.340 0.001 0.000 0.201 541 L C 2.455 179.410 176.870 0.142 0.000 1.075 541 L CA 0.772 55.678 54.840 0.109 0.000 0.773 541 L CB -0.355 41.818 42.059 0.190 0.000 0.936 541 L HN 0.519 nan 8.230 nan 0.000 0.451 542 M N 0.111 119.798 119.600 0.145 0.000 2.175 542 M HA -0.030 4.450 4.480 0.001 0.000 0.264 542 M C 1.453 177.854 176.300 0.168 0.000 1.063 542 M CA 0.620 56.086 55.300 0.278 0.000 1.119 542 M CB -1.222 31.471 32.600 0.155 0.000 1.377 542 M HN 0.269 nan 8.290 nan 0.000 0.415 543 S N 0.496 116.211 115.700 0.024 0.000 2.554 543 S HA 0.119 4.590 4.470 0.001 0.000 0.290 543 S C 0.207 174.692 174.600 -0.192 0.000 1.309 543 S CA -0.593 57.555 58.200 -0.087 0.000 1.047 543 S CB 0.176 63.343 63.200 -0.054 0.000 0.828 543 S HN 0.455 nan 8.310 nan 0.000 0.509 544 C N 1.520 120.542 119.300 -0.464 0.000 3.340 544 C HA 0.693 5.153 4.460 0.001 0.000 0.333 544 C C -0.425 174.113 174.990 -0.754 0.000 1.464 544 C CA -0.996 57.677 59.018 -0.574 0.000 1.337 544 C CB 0.865 28.200 27.740 -0.676 0.000 1.740 544 C HN 0.926 nan 8.230 nan 0.000 0.450 545 I N 1.764 122.038 120.570 -0.492 0.000 2.498 545 I HA 0.323 4.494 4.170 0.001 0.000 0.290 545 I C 0.292 176.428 176.117 0.032 0.000 1.032 545 I CA 0.037 61.184 61.300 -0.253 0.000 1.073 545 I CB 2.033 39.970 38.000 -0.105 0.000 1.251 545 I HN 0.822 nan 8.210 nan 0.000 0.426 546 S N 4.430 120.285 115.700 0.259 0.000 2.575 546 S HA 0.018 4.488 4.470 0.001 0.000 0.295 546 S C 0.655 175.354 174.600 0.165 0.000 1.267 546 S CA -0.464 57.942 58.200 0.344 0.000 1.074 546 S CB 1.393 64.735 63.200 0.237 0.000 0.829 546 S HN 0.566 nan 8.310 nan 0.000 0.497 547 V N 3.649 123.654 119.914 0.151 0.000 2.878 547 V HA 0.429 4.549 4.120 0.001 0.000 0.250 547 V C 1.111 177.248 176.094 0.071 0.000 1.075 547 V CA 1.526 63.880 62.300 0.090 0.000 1.096 547 V CB -0.831 31.031 31.823 0.066 0.000 0.724 547 V HN 1.765 nan 8.190 nan 0.000 0.467 548 G N 0.098 108.945 108.800 0.078 0.000 3.225 548 G HA2 -0.044 3.916 3.960 0.001 0.000 0.686 548 G HA3 -0.044 3.916 3.960 0.001 0.000 0.686 548 G C -0.405 174.533 174.900 0.064 0.000 1.105 548 G CA -0.245 44.897 45.100 0.069 0.000 0.831 548 G HN 0.528 nan 8.290 nan 0.000 0.578 549 T N 1.132 115.727 114.554 0.069 0.000 2.780 549 T HA 0.726 5.076 4.350 0.001 0.000 0.263 549 T C -0.385 174.362 174.700 0.077 0.000 0.993 549 T CA -0.348 61.794 62.100 0.069 0.000 1.010 549 T CB 1.412 70.313 68.868 0.054 0.000 1.642 549 T HN 0.671 nan 8.240 nan 0.000 0.587 550 D N 0.800 121.242 120.400 0.070 0.000 2.350 550 D HA 0.342 4.982 4.640 0.001 0.000 0.245 550 D C -1.525 174.805 176.300 0.049 0.000 1.036 550 D CA -2.258 51.781 54.000 0.065 0.000 0.848 550 D CB 2.233 43.071 40.800 0.064 0.000 1.307 550 D HN 0.071 nan 8.370 nan 0.000 0.469 551 P HA -0.083 nan 4.420 nan 0.000 0.213 551 P C 1.851 179.150 177.300 -0.001 0.000 1.169 551 P CA 0.834 63.956 63.100 0.037 0.000 0.885 551 P CB 0.548 32.287 31.700 0.065 0.000 0.779 552 M N 0.569 120.171 119.600 0.002 0.000 2.270 552 M HA -0.166 4.314 4.480 0.001 0.000 0.254 552 M C -0.422 175.887 176.300 0.014 0.000 1.072 552 M CA 3.480 58.778 55.300 -0.003 0.000 1.077 552 M CB -2.588 30.019 32.600 0.012 0.000 1.288 552 M HN 0.045 nan 8.290 nan 0.000 0.424 553 P HA -0.120 nan 4.420 nan 0.000 0.231 553 P C 0.854 178.181 177.300 0.045 0.000 1.154 553 P CA 1.495 64.625 63.100 0.051 0.000 0.762 553 P CB -0.318 31.407 31.700 0.042 0.000 0.790 554 I N -2.757 117.807 120.570 -0.010 0.000 4.327 554 I HA 0.138 4.308 4.170 0.001 0.000 0.331 554 I C 2.109 178.195 176.117 -0.052 0.000 1.348 554 I CA -0.052 61.193 61.300 -0.092 0.000 1.152 554 I CB 0.323 38.239 38.000 -0.141 0.000 1.151 554 I HN -0.180 nan 8.210 nan 0.000 0.410 555 I N 0.545 121.088 120.570 -0.045 0.000 2.556 555 I HA -0.116 4.055 4.170 0.001 0.000 0.251 555 I C 2.343 178.460 176.117 0.000 0.000 1.105 555 I CA 1.079 62.313 61.300 -0.111 0.000 1.436 555 I CB 0.100 37.956 38.000 -0.241 0.000 1.139 555 I HN 0.064 nan 8.210 nan 0.000 0.438 556 T N 1.229 115.807 114.554 0.040 0.000 2.788 556 T HA -0.220 4.130 4.350 0.001 0.000 0.268 556 T C 1.662 176.451 174.700 0.148 0.000 1.044 556 T CA 1.564 63.707 62.100 0.072 0.000 1.139 556 T CB -0.397 68.509 68.868 0.063 0.000 0.867 556 T HN 0.309 nan 8.240 nan 0.000 0.454 557 F N 1.212 121.162 119.950 0.001 0.000 2.102 557 F HA -0.047 4.480 4.527 0.001 0.000 0.298 557 F C 1.946 177.783 175.800 0.061 0.000 1.105 557 F CA 0.994 59.008 58.000 0.024 0.000 1.239 557 F CB -0.191 38.773 39.000 -0.060 0.000 0.991 557 F HN 0.038 nan 8.300 nan 0.000 0.474 558 L N 0.426 121.941 121.223 0.486 0.000 1.943 558 L HA -0.302 4.038 4.340 0.001 0.000 0.215 558 L C 2.877 179.883 176.870 0.227 0.000 1.074 558 L CA 1.856 56.891 54.840 0.325 0.000 0.759 558 L CB -1.131 40.994 42.059 0.111 0.000 0.888 558 L HN 0.334 nan 8.230 nan 0.000 0.433 559 S N -0.637 115.141 115.700 0.131 0.000 2.448 559 S HA -0.279 4.192 4.470 0.001 0.000 0.247 559 S C 1.297 175.948 174.600 0.084 0.000 1.033 559 S CA 1.714 59.965 58.200 0.085 0.000 1.003 559 S CB -0.628 62.603 63.200 0.051 0.000 0.786 559 S HN 0.534 nan 8.310 nan 0.000 0.495 560 E N -1.144 119.130 120.200 0.123 0.000 2.370 560 E HA 0.165 4.515 4.350 0.001 0.000 0.194 560 E C -0.493 176.131 176.600 0.039 0.000 1.057 560 E CA -0.226 56.207 56.400 0.053 0.000 1.011 560 E CB 0.124 29.835 29.700 0.019 0.000 1.132 560 E HN 0.759 nan 8.360 nan 0.000 0.450 561 W N -0.742 120.517 121.300 -0.068 0.000 1.780 561 W HA 0.263 4.924 4.660 0.001 0.000 0.256 561 W C 1.038 177.519 176.519 -0.062 0.000 0.844 561 W CA 0.006 57.312 57.345 -0.064 0.000 1.227 561 W CB 1.519 30.970 29.460 -0.015 0.000 1.006 561 W HN 0.149 nan 8.180 nan 0.000 0.493 562 G N 0.357 109.225 108.800 0.113 0.000 2.559 562 G HA2 -0.160 3.801 3.960 0.001 0.000 0.202 562 G HA3 -0.160 3.801 3.960 0.001 0.000 0.202 562 G C -0.007 175.062 174.900 0.282 0.000 0.992 562 G CA -0.361 44.851 45.100 0.185 0.000 0.764 562 G HN 0.032 nan 8.290 nan 0.000 0.525 563 M N 2.653 122.322 119.600 0.115 0.000 2.264 563 M HA 0.423 4.903 4.480 0.001 0.000 0.340 563 M C 0.008 176.360 176.300 0.086 0.000 1.420 563 M CA -0.038 55.333 55.300 0.118 0.000 1.254 563 M CB -0.015 32.628 32.600 0.072 0.000 1.575 563 M HN 0.155 nan 8.290 nan 0.000 0.452 564 E N 7.694 127.947 120.200 0.089 0.000 2.081 564 E HA 0.140 4.490 4.350 0.001 0.000 0.270 564 E C -2.091 174.489 176.600 -0.033 0.000 1.180 564 E CA -1.621 54.795 56.400 0.026 0.000 0.926 564 E CB -0.104 29.613 29.700 0.028 0.000 1.035 564 E HN 0.493 nan 8.360 nan 0.000 0.418 565 P HA -0.171 nan 4.420 nan 0.000 0.264 565 P C 0.636 177.829 177.300 -0.178 0.000 1.173 565 P CA 0.039 63.093 63.100 -0.077 0.000 0.761 565 P CB 0.832 32.507 31.700 -0.041 0.000 0.794 566 L N 3.339 124.389 121.223 -0.288 0.000 2.127 566 L HA -0.198 4.142 4.340 0.001 0.000 0.211 566 L C 2.336 178.964 176.870 -0.402 0.000 1.089 566 L CA 1.846 56.362 54.840 -0.540 0.000 0.757 566 L CB -0.982 40.681 42.059 -0.660 0.000 0.899 566 L HN 0.309 nan 8.230 nan 0.000 0.434 567 E N 0.058 120.136 120.200 -0.203 0.000 2.108 567 E HA -0.217 4.134 4.350 0.001 0.000 0.203 567 E C 0.235 176.774 176.600 -0.102 0.000 1.022 567 E CA 1.543 57.869 56.400 -0.123 0.000 0.823 567 E CB -0.529 29.107 29.700 -0.107 0.000 0.744 567 E HN 0.617 nan 8.360 nan 0.000 0.456 568 D N -0.064 120.268 120.400 -0.115 0.000 2.493 568 D HA 0.150 4.790 4.640 0.001 0.000 0.235 568 D C -0.823 175.423 176.300 -0.089 0.000 1.117 568 D CA -0.179 53.774 54.000 -0.080 0.000 0.930 568 D CB 0.056 40.815 40.800 -0.068 0.000 1.010 568 D HN 0.027 nan 8.370 nan 0.000 0.514 569 Y N 1.313 121.438 120.300 -0.292 0.000 2.409 569 Y HA 0.398 4.948 4.550 0.001 0.000 0.343 569 Y C -0.760 175.046 175.900 -0.156 0.000 0.973 569 Y CA -1.173 56.711 58.100 -0.360 0.000 1.064 569 Y CB 1.687 39.654 38.460 -0.820 0.000 1.207 569 Y HN 0.072 nan 8.280 nan 0.000 0.452 570 V N 6.521 125.969 119.914 -0.775 0.000 2.385 570 V HA 0.417 4.538 4.120 0.001 0.000 0.277 570 V C -2.107 173.492 176.094 -0.824 0.000 1.012 570 V CA -1.746 60.188 62.300 -0.609 0.000 0.832 570 V CB 0.898 32.461 31.823 -0.433 0.000 1.028 570 V HN 0.709 nan 8.190 nan 0.000 0.436 571 P HA -0.320 nan 4.420 nan 0.000 0.211 571 P C 1.357 178.543 177.300 -0.189 0.000 1.038 571 P CA 2.744 65.644 63.100 -0.333 0.000 0.988 571 P CB -0.268 31.471 31.700 0.065 0.000 0.758 572 H N -0.730 118.275 119.070 -0.108 0.000 2.545 572 H HA -0.010 4.546 4.556 0.001 0.000 0.282 572 H C 2.016 177.298 175.328 -0.077 0.000 1.020 572 H CA 1.181 57.196 56.048 -0.055 0.000 1.243 572 H CB -0.980 28.766 29.762 -0.027 0.000 1.377 572 H HN 0.360 nan 8.280 nan 0.000 0.581 573 Q N 1.294 120.849 119.800 -0.408 0.000 2.269 573 Q HA 0.036 4.376 4.340 0.001 0.000 0.201 573 Q C 0.018 175.913 176.000 -0.176 0.000 0.946 573 Q CA 0.550 56.189 55.803 -0.272 0.000 0.877 573 Q CB 0.565 29.109 28.738 -0.323 0.000 0.963 573 Q HN 0.224 nan 8.270 nan 0.000 0.472 574 S N 1.782 117.358 115.700 -0.206 0.000 2.252 574 S HA 0.221 4.692 4.470 0.001 0.000 0.187 574 S C -2.135 172.446 174.600 -0.032 0.000 1.587 574 S CA -1.084 57.049 58.200 -0.112 0.000 1.215 574 S CB 1.622 64.746 63.200 -0.127 0.000 1.085 574 S HN 0.298 nan 8.310 nan 0.000 0.466 575 P HA -0.068 nan 4.420 nan 0.000 0.214 575 P C 0.147 177.522 177.300 0.125 0.000 1.162 575 P CA 1.214 64.366 63.100 0.087 0.000 0.879 575 P CB 0.123 31.867 31.700 0.074 0.000 0.786 576 D N 0.221 120.677 120.400 0.094 0.000 2.413 576 D HA 0.224 4.865 4.640 0.001 0.000 0.237 576 D C 0.455 176.821 176.300 0.110 0.000 1.171 576 D CA -0.031 54.029 54.000 0.101 0.000 0.839 576 D CB -0.278 40.562 40.800 0.066 0.000 0.950 576 D HN 0.136 nan 8.370 nan 0.000 0.499 577 A N 0.782 123.689 122.820 0.145 0.000 2.561 577 A HA 0.077 4.398 4.320 0.001 0.000 0.251 577 A C 0.759 178.450 177.584 0.177 0.000 1.062 577 A CA 0.357 52.497 52.037 0.172 0.000 0.761 577 A CB -0.063 19.120 19.000 0.305 0.000 0.986 577 A HN 0.009 nan 8.150 nan 0.000 0.510 578 T N 4.931 119.564 114.554 0.131 0.000 3.316 578 T HA 0.261 4.611 4.350 0.001 0.000 0.341 578 T C 0.601 175.382 174.700 0.135 0.000 1.397 578 T CA -0.379 61.801 62.100 0.133 0.000 1.085 578 T CB -0.530 68.409 68.868 0.118 0.000 1.160 578 T HN 0.776 nan 8.240 nan 0.000 0.694 579 R N 1.078 121.662 120.500 0.140 0.000 2.583 579 R HA 0.249 4.589 4.340 0.001 0.000 0.274 579 R C -0.739 175.528 176.300 -0.055 0.000 0.998 579 R CA -0.332 55.853 56.100 0.142 0.000 1.081 579 R CB -0.013 30.371 30.300 0.139 0.000 0.940 579 R HN 0.170 nan 8.270 nan 0.000 0.413 580 V N 4.255 124.153 119.914 -0.026 0.000 2.483 580 V HA 0.448 4.568 4.120 0.001 0.000 0.295 580 V C -0.481 175.495 176.094 -0.197 0.000 1.035 580 V CA -0.541 61.724 62.300 -0.058 0.000 0.896 580 V CB 1.118 32.978 31.823 0.062 0.000 0.986 580 V HN 0.596 nan 8.190 nan 0.000 0.447 581 F N 2.899 122.859 119.950 0.016 0.000 2.532 581 F HA 0.745 5.272 4.527 0.001 0.000 0.321 581 F C -0.155 175.657 175.800 0.020 0.000 1.089 581 F CA -0.876 57.126 58.000 0.003 0.000 0.926 581 F CB 2.261 41.199 39.000 -0.104 0.000 1.168 581 F HN 0.215 nan 8.300 nan 0.000 0.459 582 V N 3.657 123.791 119.914 0.367 0.000 2.612 582 V HA 0.308 4.428 4.120 0.001 0.000 0.301 582 V C -0.585 175.731 176.094 0.371 0.000 1.059 582 V CA -0.883 61.594 62.300 0.295 0.000 0.886 582 V CB 1.584 33.607 31.823 0.334 0.000 1.007 582 V HN 0.853 nan 8.190 nan 0.000 0.426 583 N N 4.307 123.277 118.700 0.450 0.000 2.693 583 N HA -0.203 4.537 4.740 0.001 0.000 0.249 583 N C 0.938 176.690 175.510 0.403 0.000 1.119 583 N CA 2.047 55.391 53.050 0.491 0.000 0.717 583 N CB -1.101 37.562 38.487 0.294 0.000 1.071 583 N HN 1.728 nan 8.380 nan 0.000 0.555 584 G N -2.910 106.185 108.800 0.491 0.000 2.142 584 G HA2 -0.209 3.751 3.960 0.001 0.000 0.225 584 G HA3 -0.209 3.751 3.960 0.001 0.000 0.225 584 G C -0.193 174.938 174.900 0.386 0.000 1.015 584 G CA 0.191 45.490 45.100 0.333 0.000 0.716 584 G HN 0.547 nan 8.290 nan 0.000 0.508 585 V N -0.631 119.521 119.914 0.398 0.000 2.914 585 V HA 0.737 4.858 4.120 0.001 0.000 0.314 585 V C -0.239 176.005 176.094 0.249 0.000 1.084 585 V CA -1.267 61.143 62.300 0.184 0.000 0.963 585 V CB 2.031 33.729 31.823 -0.209 0.000 1.025 585 V HN 0.282 nan 8.190 nan 0.000 0.432 586 W N 3.804 125.057 121.300 -0.077 0.000 2.367 586 W HA 0.452 5.113 4.660 0.001 0.000 0.329 586 W C 0.685 176.988 176.519 -0.360 0.000 1.066 586 W CA -0.701 56.460 57.345 -0.307 0.000 1.435 586 W CB 0.090 29.474 29.460 -0.126 0.000 1.296 586 W HN 0.672 nan 8.180 nan 0.000 0.401 587 H N 3.510 122.668 119.070 0.146 0.000 2.519 587 H HA 0.297 4.854 4.556 0.001 0.000 0.289 587 H C 1.285 176.554 175.328 -0.099 0.000 1.040 587 H CA 0.989 57.049 56.048 0.019 0.000 1.165 587 H CB 0.157 29.948 29.762 0.048 0.000 1.462 587 H HN 0.580 nan 8.280 nan 0.000 0.555 588 G N -0.199 108.474 108.800 -0.211 0.000 2.297 588 G HA2 -0.072 3.889 3.960 0.001 0.000 0.209 588 G HA3 -0.072 3.889 3.960 0.001 0.000 0.209 588 G C -1.079 173.670 174.900 -0.251 0.000 1.267 588 G CA -0.256 44.605 45.100 -0.399 0.000 1.127 588 G HN 0.160 nan 8.290 nan 0.000 0.498 589 V N -0.765 119.066 119.914 -0.138 0.000 3.105 589 V HA 0.970 5.090 4.120 0.001 0.000 0.311 589 V C -0.412 175.776 176.094 0.157 0.000 1.282 589 V CA -0.009 62.305 62.300 0.024 0.000 1.065 589 V CB 1.987 33.810 31.823 0.001 0.000 1.136 589 V HN 1.733 nan 8.190 nan 0.000 0.469 590 H N -0.206 118.898 119.070 0.057 0.000 3.140 590 H HA 0.509 5.065 4.556 0.001 0.000 0.336 590 H C -0.265 175.107 175.328 0.074 0.000 1.142 590 H CA -0.647 55.440 56.048 0.065 0.000 1.308 590 H CB 1.295 31.102 29.762 0.075 0.000 1.970 590 H HN 0.575 nan 8.280 nan 0.000 0.521 591 R N 1.633 121.770 120.500 -0.605 0.000 2.847 591 R HA 0.083 4.423 4.340 0.001 0.000 0.157 591 R C 0.249 176.199 176.300 -0.583 0.000 0.803 591 R CA -0.548 55.297 56.100 -0.426 0.000 1.442 591 R CB -0.320 29.822 30.300 -0.264 0.000 0.748 591 R HN 0.685 nan 8.270 nan 0.000 0.554 592 N N 3.359 121.882 118.700 -0.294 0.000 2.211 592 N HA -0.088 4.652 4.740 0.001 0.000 0.283 592 N C -1.670 173.841 175.510 0.001 0.000 1.393 592 N CA -0.196 52.788 53.050 -0.109 0.000 0.954 592 N CB 0.518 38.992 38.487 -0.022 0.000 1.349 592 N HN 0.304 nan 8.380 nan 0.000 0.491 593 P HA 0.059 nan 4.420 nan 0.000 0.252 593 P C 1.001 178.423 177.300 0.203 0.000 1.211 593 P CA 0.215 63.526 63.100 0.352 0.000 0.824 593 P CB 0.139 32.029 31.700 0.318 0.000 1.077 594 A N 1.478 124.378 122.820 0.133 0.000 2.023 594 A HA -0.247 4.073 4.320 0.001 0.000 0.223 594 A C 2.368 180.015 177.584 0.104 0.000 1.180 594 A CA 1.749 53.844 52.037 0.097 0.000 0.659 594 A CB -1.099 17.945 19.000 0.074 0.000 0.817 594 A HN 0.168 nan 8.150 nan 0.000 0.466 595 R N -1.821 118.764 120.500 0.143 0.000 2.075 595 R HA 0.079 4.420 4.340 0.001 0.000 0.220 595 R C 2.149 178.540 176.300 0.152 0.000 1.118 595 R CA 0.877 57.066 56.100 0.149 0.000 0.986 595 R CB -0.612 29.795 30.300 0.179 0.000 0.884 595 R HN 0.478 nan 8.270 nan 0.000 0.439 596 L N 1.304 122.640 121.223 0.189 0.000 2.064 596 L HA -0.249 4.092 4.340 0.001 0.000 0.216 596 L C 2.198 179.080 176.870 0.021 0.000 1.077 596 L CA 1.860 56.755 54.840 0.092 0.000 0.766 596 L CB -0.464 41.586 42.059 -0.016 0.000 0.890 596 L HN 0.127 nan 8.230 nan 0.000 0.435 597 M N 0.186 119.811 119.600 0.043 0.000 2.139 597 M HA -0.220 4.260 4.480 0.001 0.000 0.260 597 M C 2.273 178.564 176.300 -0.015 0.000 1.078 597 M CA 2.232 57.535 55.300 0.006 0.000 1.106 597 M CB -0.873 31.746 32.600 0.031 0.000 1.275 597 M HN 0.420 nan 8.290 nan 0.000 0.425 598 E N -1.552 118.655 120.200 0.012 0.000 2.492 598 E HA -0.176 4.175 4.350 0.001 0.000 0.204 598 E C 1.000 177.590 176.600 -0.017 0.000 1.073 598 E CA 1.365 57.766 56.400 0.002 0.000 0.887 598 E CB -0.009 29.705 29.700 0.023 0.000 0.813 598 E HN 0.591 nan 8.360 nan 0.000 0.562 599 T N -0.198 114.335 114.554 -0.034 0.000 3.010 599 T HA 0.078 4.429 4.350 0.001 0.000 0.252 599 T C 1.629 176.214 174.700 -0.193 0.000 1.047 599 T CA 0.194 62.235 62.100 -0.099 0.000 1.140 599 T CB 0.150 68.947 68.868 -0.119 0.000 0.885 599 T HN 0.143 nan 8.240 nan 0.000 0.464 600 L N 0.488 121.589 121.223 -0.203 0.000 2.095 600 L HA 0.070 4.410 4.340 0.001 0.000 0.204 600 L C 2.824 179.577 176.870 -0.195 0.000 1.080 600 L CA 1.098 55.768 54.840 -0.284 0.000 0.759 600 L CB -0.437 41.456 42.059 -0.277 0.000 0.914 600 L HN 0.107 nan 8.230 nan 0.000 0.439 601 R N -0.337 120.090 120.500 -0.122 0.000 2.105 601 R HA -0.121 4.219 4.340 0.001 0.000 0.239 601 R C 1.861 178.111 176.300 -0.084 0.000 1.135 601 R CA 1.797 57.847 56.100 -0.083 0.000 0.967 601 R CB -0.506 29.769 30.300 -0.041 0.000 0.861 601 R HN 0.317 nan 8.270 nan 0.000 0.442 602 T N 0.987 115.492 114.554 -0.082 0.000 3.129 602 T HA 0.089 4.440 4.350 0.001 0.000 0.251 602 T C 1.404 176.057 174.700 -0.079 0.000 1.117 602 T CA 0.182 62.242 62.100 -0.067 0.000 1.034 602 T CB 0.219 69.063 68.868 -0.041 0.000 0.968 602 T HN 0.052 nan 8.240 nan 0.000 0.526 603 L N 0.935 122.086 121.223 -0.120 0.000 2.253 603 L HA 0.256 4.597 4.340 0.001 0.000 0.205 603 L C 2.482 179.281 176.870 -0.119 0.000 1.078 603 L CA 1.184 55.947 54.840 -0.127 0.000 0.805 603 L CB -0.478 41.437 42.059 -0.240 0.000 0.963 603 L HN 0.189 nan 8.230 nan 0.000 0.459 604 R N 0.415 120.836 120.500 -0.133 0.000 2.052 604 R HA -0.105 4.236 4.340 0.001 0.000 0.226 604 R C 2.022 178.257 176.300 -0.108 0.000 1.145 604 R CA 0.773 56.801 56.100 -0.121 0.000 0.952 604 R CB -0.167 30.060 30.300 -0.123 0.000 0.847 604 R HN 0.204 nan 8.270 nan 0.000 0.431 605 R N 0.498 120.936 120.500 -0.103 0.000 2.438 605 R HA -0.159 4.182 4.340 0.001 0.000 0.227 605 R C 2.019 178.264 176.300 -0.092 0.000 1.153 605 R CA 1.192 57.229 56.100 -0.105 0.000 1.059 605 R CB -0.095 30.152 30.300 -0.088 0.000 0.831 605 R HN 0.301 nan 8.270 nan 0.000 0.487 606 K N -0.961 119.394 120.400 -0.074 0.000 2.262 606 K HA 0.008 4.328 4.320 0.001 0.000 0.200 606 K C 1.084 177.654 176.600 -0.050 0.000 1.058 606 K CA 1.146 57.403 56.287 -0.051 0.000 0.974 606 K CB 0.728 33.209 32.500 -0.031 0.000 0.910 606 K HN 0.238 nan 8.250 nan 0.000 0.484 607 G N 0.720 109.486 108.800 -0.057 0.000 2.425 607 G HA2 -0.152 3.809 3.960 0.001 0.000 0.177 607 G HA3 -0.152 3.809 3.960 0.001 0.000 0.177 607 G C 0.349 175.230 174.900 -0.031 0.000 0.999 607 G CA 0.247 45.319 45.100 -0.047 0.000 0.723 607 G HN 0.249 nan 8.290 nan 0.000 0.491 608 D N 0.643 121.026 120.400 -0.029 0.000 2.084 608 D HA 0.005 4.645 4.640 0.001 0.000 0.194 608 D C 1.440 177.717 176.300 -0.038 0.000 0.990 608 D CA 0.851 54.844 54.000 -0.013 0.000 0.826 608 D CB 0.180 40.986 40.800 0.010 0.000 0.971 608 D HN 0.466 nan 8.370 nan 0.000 0.453 609 I N 2.084 122.601 120.570 -0.088 0.000 2.352 609 I HA 0.006 4.176 4.170 0.001 0.000 0.290 609 I C 0.715 176.784 176.117 -0.080 0.000 1.036 609 I CA -0.587 60.645 61.300 -0.114 0.000 1.336 609 I CB 0.649 38.534 38.000 -0.191 0.000 1.407 609 I HN -0.119 nan 8.210 nan 0.000 0.497 610 N N 9.162 127.833 118.700 -0.048 0.000 2.315 610 N HA -0.056 4.684 4.740 0.001 0.000 0.270 610 N C -1.653 173.826 175.510 -0.053 0.000 1.329 610 N CA -0.739 52.294 53.050 -0.028 0.000 0.860 610 N CB 0.995 39.485 38.487 0.005 0.000 1.095 610 N HN 0.325 nan 8.380 nan 0.000 0.487 611 P HA -0.194 nan 4.420 nan 0.000 0.220 611 P C 0.902 178.139 177.300 -0.104 0.000 1.142 611 P CA 1.125 64.139 63.100 -0.143 0.000 0.801 611 P CB 0.315 31.870 31.700 -0.241 0.000 0.764 612 E N -0.345 119.831 120.200 -0.040 0.000 2.004 612 E HA -0.076 4.275 4.350 0.001 0.000 0.192 612 E C 0.250 176.769 176.600 -0.135 0.000 0.987 612 E CA 0.372 56.704 56.400 -0.113 0.000 0.822 612 E CB -0.306 29.381 29.700 -0.021 0.000 0.779 612 E HN -0.206 nan 8.360 nan 0.000 0.458 613 V N 1.796 121.680 119.914 -0.050 0.000 3.086 613 V HA -0.185 3.935 4.120 0.001 0.000 0.273 613 V C 0.311 176.393 176.094 -0.020 0.000 1.480 613 V CA 1.106 63.399 62.300 -0.012 0.000 1.481 613 V CB 0.422 32.236 31.823 -0.015 0.000 0.944 613 V HN 0.474 nan 8.190 nan 0.000 0.532 614 S N 4.842 120.561 115.700 0.033 0.000 2.513 614 S HA 0.894 5.364 4.470 0.001 0.000 0.299 614 S C -0.945 173.642 174.600 -0.023 0.000 1.087 614 S CA -1.027 57.188 58.200 0.026 0.000 1.012 614 S CB 1.869 65.129 63.200 0.099 0.000 1.044 614 S HN 0.563 nan 8.310 nan 0.000 0.485 615 M N 2.627 122.199 119.600 -0.046 0.000 2.267 615 M HA 0.532 5.012 4.480 0.001 0.000 0.289 615 M C -1.796 174.470 176.300 -0.056 0.000 1.043 615 M CA -0.438 54.812 55.300 -0.083 0.000 0.928 615 M CB 1.820 34.368 32.600 -0.086 0.000 1.613 615 M HN 0.530 nan 8.290 nan 0.000 0.450 616 I N 2.404 122.927 120.570 -0.078 0.000 2.466 616 I HA 0.487 4.657 4.170 0.001 0.000 0.289 616 I C -0.423 175.683 176.117 -0.019 0.000 1.026 616 I CA -0.440 60.839 61.300 -0.035 0.000 1.078 616 I CB 2.055 40.035 38.000 -0.034 0.000 1.249 616 I HN 0.638 nan 8.210 nan 0.000 0.429 617 R N 4.360 124.866 120.500 0.010 0.000 2.246 617 R HA 0.267 4.607 4.340 0.001 0.000 0.332 617 R C -0.714 175.608 176.300 0.037 0.000 0.974 617 R CA -0.360 55.758 56.100 0.029 0.000 0.837 617 R CB 0.712 31.035 30.300 0.039 0.000 1.145 617 R HN 0.609 nan 8.270 nan 0.000 0.467 618 D N 6.870 127.295 120.400 0.043 0.000 2.767 618 D HA 0.070 4.710 4.640 0.001 0.000 0.241 618 D C 1.542 177.875 176.300 0.055 0.000 1.187 618 D CA -0.170 53.857 54.000 0.046 0.000 0.999 618 D CB 0.228 41.056 40.800 0.046 0.000 1.042 618 D HN 0.648 nan 8.370 nan 0.000 0.510 619 I N 1.232 121.834 120.570 0.053 0.000 2.195 619 I HA -0.463 3.707 4.170 0.001 0.000 0.232 619 I C 2.451 178.602 176.117 0.058 0.000 0.986 619 I CA 1.520 62.854 61.300 0.055 0.000 1.283 619 I CB -0.233 37.795 38.000 0.047 0.000 0.990 619 I HN 0.281 nan 8.210 nan 0.000 0.390 620 R N 0.015 120.544 120.500 0.049 0.000 2.174 620 R HA -0.269 4.072 4.340 0.001 0.000 0.253 620 R C 2.017 178.351 176.300 0.057 0.000 1.165 620 R CA 1.980 58.109 56.100 0.048 0.000 0.984 620 R CB -0.405 29.918 30.300 0.038 0.000 0.873 620 R HN 0.432 nan 8.270 nan 0.000 0.456 621 E N 0.676 120.913 120.200 0.063 0.000 2.452 621 E HA 0.024 4.374 4.350 0.001 0.000 0.197 621 E C -0.639 176.022 176.600 0.103 0.000 1.022 621 E CA 0.084 56.530 56.400 0.076 0.000 0.890 621 E CB 0.317 30.058 29.700 0.068 0.000 0.918 621 E HN 0.066 nan 8.360 nan 0.000 0.496 622 K N 1.267 121.725 120.400 0.096 0.000 3.898 622 K HA -0.185 4.136 4.320 0.001 0.000 0.282 622 K C -1.092 175.580 176.600 0.121 0.000 1.014 622 K CA 0.902 57.255 56.287 0.110 0.000 0.848 622 K CB -1.397 31.181 32.500 0.129 0.000 1.469 622 K HN 0.281 nan 8.250 nan 0.000 0.446 623 E N 0.422 120.686 120.200 0.105 0.000 2.392 623 E HA 0.427 4.778 4.350 0.001 0.000 0.279 623 E C -1.448 175.206 176.600 0.090 0.000 0.964 623 E CA -1.153 55.314 56.400 0.111 0.000 0.777 623 E CB 1.898 31.693 29.700 0.157 0.000 1.249 623 E HN 0.097 nan 8.360 nan 0.000 0.449 624 L N 2.381 123.657 121.223 0.088 0.000 2.353 624 L HA 0.348 4.688 4.340 0.001 0.000 0.270 624 L C -1.233 175.661 176.870 0.039 0.000 1.003 624 L CA -0.468 54.403 54.840 0.051 0.000 0.862 624 L CB 0.671 42.759 42.059 0.049 0.000 1.221 624 L HN 0.262 nan 8.230 nan 0.000 0.430 625 K N 6.527 126.894 120.400 -0.055 0.000 2.234 625 K HA 0.542 4.862 4.320 0.001 0.000 0.277 625 K C -0.973 175.403 176.600 -0.373 0.000 1.038 625 K CA -0.243 55.892 56.287 -0.254 0.000 0.888 625 K CB 1.722 33.996 32.500 -0.375 0.000 1.091 625 K HN 0.574 nan 8.250 nan 0.000 0.467 626 I N 4.417 124.735 120.570 -0.420 0.000 2.468 626 I HA 0.332 4.503 4.170 0.001 0.000 0.285 626 I C -0.741 175.237 176.117 -0.231 0.000 1.039 626 I CA -0.621 60.512 61.300 -0.279 0.000 1.074 626 I CB 1.042 38.978 38.000 -0.105 0.000 1.228 626 I HN 0.385 nan 8.210 nan 0.000 0.436 627 F N 3.697 123.667 119.950 0.032 0.000 2.480 627 F HA 0.390 4.917 4.527 0.001 0.000 0.329 627 F C 1.139 176.950 175.800 0.019 0.000 1.091 627 F CA -0.519 57.500 58.000 0.031 0.000 0.972 627 F CB 2.325 41.336 39.000 0.019 0.000 1.150 627 F HN 0.305 nan 8.300 nan 0.000 0.467 628 T N -0.568 114.138 114.554 0.253 0.000 2.975 628 T HA -0.017 4.333 4.350 0.001 0.000 0.261 628 T C 0.032 174.797 174.700 0.107 0.000 0.984 628 T CA -0.163 62.019 62.100 0.137 0.000 0.911 628 T CB -0.194 68.739 68.868 0.108 0.000 1.127 628 T HN 0.518 nan 8.240 nan 0.000 0.514 629 D N 2.384 122.842 120.400 0.095 0.000 2.749 629 D HA -0.022 4.618 4.640 0.001 0.000 0.222 629 D C -0.035 176.276 176.300 0.019 0.000 1.131 629 D CA 0.476 54.480 54.000 0.007 0.000 0.845 629 D CB 0.505 41.218 40.800 -0.145 0.000 1.196 629 D HN 0.334 nan 8.370 nan 0.000 0.503 630 A N 2.083 124.912 122.820 0.015 0.000 2.252 630 A HA 0.587 4.907 4.320 0.001 0.000 0.309 630 A C 0.972 178.558 177.584 0.003 0.000 1.285 630 A CA 0.351 52.407 52.037 0.031 0.000 0.900 630 A CB 0.809 19.837 19.000 0.047 0.000 1.157 630 A HN 0.767 nan 8.150 nan 0.000 0.536 631 G N 2.332 111.136 108.800 0.007 0.000 2.200 631 G HA2 -0.111 3.850 3.960 0.001 0.000 0.145 631 G HA3 -0.111 3.850 3.960 0.001 0.000 0.145 631 G C 0.090 174.948 174.900 -0.070 0.000 1.021 631 G CA -0.594 44.486 45.100 -0.033 0.000 0.720 631 G HN 0.778 nan 8.290 nan 0.000 0.494 632 R N 0.110 120.601 120.500 -0.015 0.000 2.410 632 R HA 0.583 4.923 4.340 0.001 0.000 0.288 632 R C -0.063 176.253 176.300 0.027 0.000 1.051 632 R CA -0.534 55.556 56.100 -0.018 0.000 1.021 632 R CB 2.011 32.350 30.300 0.065 0.000 1.032 632 R HN 0.034 nan 8.270 nan 0.000 0.481 633 V N 4.581 124.461 119.914 -0.056 0.000 2.407 633 V HA 0.295 4.415 4.120 0.001 0.000 0.278 633 V C -0.718 175.451 176.094 0.125 0.000 1.037 633 V CA -0.385 61.899 62.300 -0.027 0.000 0.900 633 V CB 0.414 32.260 31.823 0.038 0.000 0.983 633 V HN 0.686 nan 8.190 nan 0.000 0.459 634 Y N 4.241 124.559 120.300 0.030 0.000 2.581 634 Y HA 0.900 5.450 4.550 0.001 0.000 0.345 634 Y C -0.386 175.512 175.900 -0.004 0.000 1.036 634 Y CA -1.630 56.491 58.100 0.035 0.000 1.042 634 Y CB 1.467 39.945 38.460 0.030 0.000 1.289 634 Y HN 0.655 nan 8.280 nan 0.000 0.471 635 R N 1.067 121.719 120.500 0.253 0.000 2.950 635 R HA 0.767 5.107 4.340 0.001 0.000 0.253 635 R C -3.272 173.163 176.300 0.225 0.000 1.168 635 R CA -1.998 54.187 56.100 0.143 0.000 1.014 635 R CB 2.163 32.521 30.300 0.097 0.000 1.228 635 R HN 0.536 nan 8.270 nan 0.000 0.487 636 P HA 0.502 nan 4.420 nan 0.000 0.296 636 P C -1.107 176.254 177.300 0.102 0.000 1.310 636 P CA -0.699 62.544 63.100 0.238 0.000 0.900 636 P CB 2.099 33.923 31.700 0.207 0.000 1.111 637 L N 1.874 123.170 121.223 0.121 0.000 2.424 637 L HA 0.496 4.836 4.340 0.001 0.000 0.258 637 L C -0.045 176.944 176.870 0.198 0.000 0.995 637 L CA -1.018 53.871 54.840 0.082 0.000 0.821 637 L CB 2.374 44.503 42.059 0.118 0.000 1.383 637 L HN 0.308 nan 8.230 nan 0.000 0.410 638 F N 2.182 122.182 119.950 0.084 0.000 2.412 638 F HA 0.384 4.912 4.527 0.001 0.000 0.348 638 F C 0.476 176.300 175.800 0.041 0.000 1.102 638 F CA -0.661 57.350 58.000 0.019 0.000 1.196 638 F CB 1.133 40.128 39.000 -0.009 0.000 1.144 638 F HN 0.168 nan 8.300 nan 0.000 0.541 639 I N 3.503 124.157 120.570 0.139 0.000 2.499 639 I HA 0.119 4.289 4.170 0.001 0.000 0.296 639 I C 0.408 176.471 176.117 -0.091 0.000 0.992 639 I CA -0.361 60.895 61.300 -0.073 0.000 1.297 639 I CB 1.712 39.639 38.000 -0.123 0.000 1.410 639 I HN 0.402 nan 8.210 nan 0.000 0.507 640 V N 1.913 121.747 119.914 -0.133 0.000 3.528 640 V HA 0.073 4.193 4.120 0.001 0.000 0.294 640 V C 0.271 176.314 176.094 -0.084 0.000 1.404 640 V CA -0.191 62.063 62.300 -0.077 0.000 1.065 640 V CB -0.696 31.130 31.823 0.005 0.000 0.904 640 V HN 0.675 nan 8.190 nan 0.000 0.435 641 E N 3.177 123.315 120.200 -0.104 0.000 3.377 641 E HA -0.218 4.133 4.350 0.001 0.000 0.294 641 E C 1.191 177.751 176.600 -0.067 0.000 0.760 641 E CA 0.928 57.281 56.400 -0.078 0.000 1.073 641 E CB 0.000 29.654 29.700 -0.078 0.000 0.770 641 E HN 0.750 nan 8.360 nan 0.000 0.523 642 D N 2.312 122.684 120.400 -0.047 0.000 2.393 642 D HA -0.221 4.420 4.640 0.001 0.000 0.220 642 D C -0.303 175.968 176.300 -0.048 0.000 0.974 642 D CA 0.300 54.269 54.000 -0.051 0.000 0.931 642 D CB -0.064 40.729 40.800 -0.012 0.000 0.889 642 D HN 0.231 nan 8.370 nan 0.000 0.512 643 D N 1.778 122.153 120.400 -0.041 0.000 2.746 643 D HA -0.040 4.600 4.640 0.001 0.000 0.233 643 D C -0.114 176.165 176.300 -0.035 0.000 1.120 643 D CA 0.782 54.764 54.000 -0.031 0.000 1.421 643 D CB -0.228 40.554 40.800 -0.029 0.000 1.142 643 D HN 0.299 nan 8.370 nan 0.000 0.479 644 E N 0.053 120.233 120.200 -0.033 0.000 2.460 644 E HA 0.050 4.401 4.350 0.001 0.000 0.249 644 E C 0.513 177.107 176.600 -0.009 0.000 0.962 644 E CA -0.234 56.147 56.400 -0.032 0.000 0.787 644 E CB 1.163 30.826 29.700 -0.062 0.000 1.341 644 E HN 0.097 nan 8.360 nan 0.000 0.407 645 S N 2.401 118.099 115.700 -0.002 0.000 2.584 645 S HA -0.015 4.455 4.470 0.001 0.000 0.240 645 S C 1.098 175.706 174.600 0.014 0.000 0.975 645 S CA 0.285 58.489 58.200 0.008 0.000 0.949 645 S CB -0.103 63.101 63.200 0.006 0.000 0.761 645 S HN 0.455 nan 8.310 nan 0.000 0.536 646 L N 1.793 123.025 121.223 0.014 0.000 2.935 646 L HA 0.584 4.924 4.340 0.001 0.000 0.243 646 L C 0.933 177.833 176.870 0.050 0.000 1.313 646 L CA -0.125 54.730 54.840 0.025 0.000 0.969 646 L CB 0.061 42.130 42.059 0.016 0.000 1.320 646 L HN 0.550 nan 8.230 nan 0.000 0.511 647 G N -0.713 108.129 108.800 0.069 0.000 2.236 647 G HA2 -0.125 3.835 3.960 0.001 0.000 0.231 647 G HA3 -0.125 3.835 3.960 0.001 0.000 0.231 647 G C -0.351 174.650 174.900 0.169 0.000 1.334 647 G CA -0.176 45.010 45.100 0.143 0.000 1.137 647 G HN 0.301 nan 8.290 nan 0.000 0.482 648 H N 0.909 119.992 119.070 0.022 0.000 3.128 648 H HA 0.698 5.254 4.556 0.001 0.000 0.154 648 H C 0.504 175.851 175.328 0.031 0.000 1.515 648 H CA 0.572 56.639 56.048 0.033 0.000 1.628 648 H CB -0.476 29.314 29.762 0.048 0.000 1.253 648 H HN 0.567 nan 8.280 nan 0.000 0.829 649 K N -0.162 120.095 120.400 -0.238 0.000 2.118 649 K HA 0.319 4.639 4.320 0.001 0.000 0.264 649 K C -0.770 175.543 176.600 -0.479 0.000 1.000 649 K CA -0.192 55.963 56.287 -0.221 0.000 0.929 649 K CB 0.781 33.291 32.500 0.017 0.000 1.021 649 K HN 0.670 nan 8.250 nan 0.000 0.463 650 E N 2.146 122.188 120.200 -0.263 0.000 2.401 650 E HA 0.177 4.527 4.350 0.001 0.000 0.283 650 E C -1.671 174.839 176.600 -0.151 0.000 1.053 650 E CA -0.502 55.755 56.400 -0.238 0.000 0.842 650 E CB 0.560 30.093 29.700 -0.279 0.000 1.222 650 E HN 0.436 nan 8.360 nan 0.000 0.429 651 L N 4.731 125.868 121.223 -0.142 0.000 2.601 651 L HA 0.059 4.399 4.340 0.001 0.000 0.277 651 L C 1.565 178.333 176.870 -0.170 0.000 1.219 651 L CA 0.297 55.037 54.840 -0.167 0.000 0.915 651 L CB 0.290 42.210 42.059 -0.231 0.000 1.160 651 L HN 0.659 nan 8.230 nan 0.000 0.494 652 K N 2.197 122.496 120.400 -0.169 0.000 2.147 652 K HA -0.059 4.261 4.320 0.001 0.000 0.205 652 K C 0.448 176.967 176.600 -0.135 0.000 1.049 652 K CA 0.739 56.947 56.287 -0.133 0.000 0.936 652 K CB 0.065 32.485 32.500 -0.133 0.000 0.722 652 K HN 0.393 nan 8.250 nan 0.000 0.446 653 V N 2.523 122.264 119.914 -0.288 0.000 2.811 653 V HA 0.041 4.162 4.120 0.001 0.000 0.302 653 V C 0.452 176.520 176.094 -0.043 0.000 1.063 653 V CA 0.038 62.166 62.300 -0.287 0.000 1.088 653 V CB 1.005 32.484 31.823 -0.574 0.000 0.982 653 V HN 0.239 nan 8.190 nan 0.000 0.485 654 R N 2.308 122.975 120.500 0.278 0.000 2.867 654 R HA 0.360 4.700 4.340 0.001 0.000 0.268 654 R C 0.619 176.948 176.300 0.048 0.000 1.014 654 R CA -1.085 55.057 56.100 0.070 0.000 0.946 654 R CB 0.942 31.248 30.300 0.010 0.000 1.208 654 R HN 0.586 nan 8.270 nan 0.000 0.477 655 K N 0.525 120.921 120.400 -0.006 0.000 2.588 655 K HA -0.132 4.189 4.320 0.001 0.000 0.196 655 K C 1.344 177.939 176.600 -0.007 0.000 1.044 655 K CA 1.769 58.055 56.287 -0.001 0.000 0.934 655 K CB -0.225 32.259 32.500 -0.026 0.000 0.773 655 K HN 0.728 nan 8.250 nan 0.000 0.489 656 G N -0.901 107.873 108.800 -0.045 0.000 2.497 656 G HA2 -0.139 3.822 3.960 0.001 0.000 0.210 656 G HA3 -0.139 3.822 3.960 0.001 0.000 0.210 656 G C 0.976 175.858 174.900 -0.029 0.000 1.177 656 G CA 0.010 45.057 45.100 -0.089 0.000 0.822 656 G HN 0.299 nan 8.290 nan 0.000 0.550 657 H N 0.768 119.874 119.070 0.060 0.000 2.321 657 H HA -0.098 4.458 4.556 0.001 0.000 0.295 657 H C 2.622 178.103 175.328 0.255 0.000 1.102 657 H CA 1.524 57.694 56.048 0.203 0.000 1.266 657 H CB -0.222 29.623 29.762 0.137 0.000 1.363 657 H HN 0.274 nan 8.280 nan 0.000 0.492 658 I N 0.562 121.290 120.570 0.263 0.000 2.058 658 I HA -0.283 3.887 4.170 0.001 0.000 0.235 658 I C 2.733 178.959 176.117 0.182 0.000 1.053 658 I CA 1.280 62.701 61.300 0.202 0.000 1.313 658 I CB -0.395 37.691 38.000 0.143 0.000 1.039 658 I HN 0.179 nan 8.210 nan 0.000 0.396 659 A N -0.207 122.684 122.820 0.120 0.000 2.186 659 A HA -0.241 4.080 4.320 0.001 0.000 0.219 659 A C 2.227 179.875 177.584 0.107 0.000 1.159 659 A CA 1.529 53.620 52.037 0.091 0.000 0.680 659 A CB -0.531 18.492 19.000 0.038 0.000 0.787 659 A HN 0.418 nan 8.150 nan 0.000 0.467 660 K N -0.974 119.514 120.400 0.148 0.000 2.379 660 K HA 0.294 4.615 4.320 0.001 0.000 0.194 660 K C 1.377 178.186 176.600 0.348 0.000 1.031 660 K CA 0.108 56.480 56.287 0.142 0.000 1.037 660 K CB -0.037 32.453 32.500 -0.017 0.000 0.824 660 K HN 0.491 nan 8.250 nan 0.000 0.516 661 L N -0.032 121.413 121.223 0.370 0.000 2.262 661 L HA 0.093 4.433 4.340 0.001 0.000 0.197 661 L C 2.108 179.125 176.870 0.245 0.000 1.073 661 L CA 0.419 55.462 54.840 0.339 0.000 0.800 661 L CB -0.072 42.135 42.059 0.247 0.000 0.987 661 L HN 0.149 nan 8.230 nan 0.000 0.470 662 M N -0.350 119.376 119.600 0.209 0.000 2.435 662 M HA -0.171 4.310 4.480 0.001 0.000 0.262 662 M C 2.191 178.599 176.300 0.181 0.000 1.065 662 M CA 1.332 56.743 55.300 0.185 0.000 1.076 662 M CB -0.429 32.263 32.600 0.153 0.000 1.403 662 M HN 0.319 nan 8.290 nan 0.000 0.454 663 A N -0.008 122.916 122.820 0.175 0.000 1.929 663 A HA -0.094 4.226 4.320 0.001 0.000 0.216 663 A C 2.122 179.829 177.584 0.207 0.000 1.176 663 A CA 1.803 53.939 52.037 0.164 0.000 0.628 663 A CB -0.806 18.272 19.000 0.129 0.000 0.816 663 A HN 0.438 nan 8.150 nan 0.000 0.444 664 T N -0.275 114.404 114.554 0.210 0.000 3.085 664 T HA 0.006 4.357 4.350 0.001 0.000 0.263 664 T C 1.513 176.324 174.700 0.185 0.000 1.127 664 T CA 1.037 63.255 62.100 0.197 0.000 1.103 664 T CB 0.016 69.013 68.868 0.215 0.000 0.921 664 T HN 0.592 nan 8.240 nan 0.000 0.510 665 E N 0.172 120.494 120.200 0.202 0.000 2.076 665 E HA -0.052 4.299 4.350 0.001 0.000 0.190 665 E C 1.721 178.438 176.600 0.195 0.000 0.979 665 E CA 0.544 57.057 56.400 0.188 0.000 0.807 665 E CB -0.144 29.672 29.700 0.194 0.000 0.761 665 E HN 0.461 nan 8.360 nan 0.000 0.454 666 Y N 2.173 122.522 120.300 0.082 0.000 2.207 666 Y HA -0.173 4.378 4.550 0.001 0.000 0.287 666 Y C 1.278 177.212 175.900 0.055 0.000 1.156 666 Y CA 1.402 59.540 58.100 0.063 0.000 1.182 666 Y CB -0.012 38.485 38.460 0.061 0.000 0.979 666 Y HN -0.054 nan 8.280 nan 0.000 0.521 667 Q N 1.725 121.566 119.800 0.067 0.000 2.800 667 Q HA 0.036 4.376 4.340 0.001 0.000 0.261 667 Q C -0.825 175.159 176.000 -0.026 0.000 1.093 667 Q CA 0.279 56.069 55.803 -0.022 0.000 0.943 667 Q CB -0.323 28.448 28.738 0.056 0.000 1.591 667 Q HN 0.422 nan 8.270 nan 0.000 0.429 679 Y N 3.767 124.124 120.300 0.094 0.000 2.721 679 Y HA 0.391 4.941 4.550 0.001 0.000 0.328 679 Y C 0.440 176.416 175.900 0.128 0.000 1.003 679 Y CA -0.508 57.650 58.100 0.098 0.000 1.275 679 Y CB 0.506 39.024 38.460 0.096 0.000 1.097 679 Y HN 0.223 nan 8.280 nan 0.000 0.514 680 T N 1.374 115.969 114.554 0.068 0.000 3.057 680 T HA 0.031 4.381 4.350 0.001 0.000 0.312 680 T C 1.141 175.856 174.700 0.026 0.000 1.227 680 T CA -0.178 61.971 62.100 0.082 0.000 0.929 680 T CB 0.159 69.120 68.868 0.155 0.000 1.986 680 T HN 0.719 nan 8.240 nan 0.000 0.579 681 W N 0.066 121.350 121.300 -0.027 0.000 2.560 681 W HA 0.029 4.690 4.660 0.001 0.000 0.303 681 W C 2.435 178.917 176.519 -0.061 0.000 1.151 681 W CA 0.930 58.254 57.345 -0.036 0.000 1.426 681 W CB -0.613 28.890 29.460 0.071 0.000 1.135 681 W HN 0.606 nan 8.180 nan 0.000 0.522 682 S N 0.909 116.696 115.700 0.146 0.000 2.444 682 S HA -0.266 4.204 4.470 0.001 0.000 0.244 682 S C 1.986 176.517 174.600 -0.116 0.000 1.025 682 S CA 2.254 60.462 58.200 0.013 0.000 0.995 682 S CB -0.390 62.876 63.200 0.110 0.000 0.781 682 S HN 0.497 nan 8.310 nan 0.000 0.496 683 S N 1.212 116.837 115.700 -0.124 0.000 2.345 683 S HA 0.041 4.512 4.470 0.001 0.000 0.219 683 S C 1.674 176.126 174.600 -0.246 0.000 1.031 683 S CA 0.792 58.930 58.200 -0.103 0.000 0.984 683 S CB -0.733 62.448 63.200 -0.032 0.000 0.874 683 S HN 0.424 nan 8.310 nan 0.000 0.451 684 L N 0.814 121.755 121.223 -0.469 0.000 2.551 684 L HA 0.018 4.358 4.340 0.001 0.000 0.230 684 L C 2.234 178.756 176.870 -0.580 0.000 1.163 684 L CA 0.635 55.138 54.840 -0.562 0.000 0.826 684 L CB -0.533 41.084 42.059 -0.737 0.000 0.943 684 L HN 0.346 nan 8.230 nan 0.000 0.452 685 L N -1.145 119.753 121.223 -0.542 0.000 2.347 685 L HA 0.142 4.483 4.340 0.001 0.000 0.196 685 L C 1.741 178.446 176.870 -0.276 0.000 1.072 685 L CA 1.281 55.837 54.840 -0.473 0.000 0.817 685 L CB -0.419 41.329 42.059 -0.517 0.000 1.029 685 L HN 0.122 nan 8.230 nan 0.000 0.478 686 N N 0.840 119.427 118.700 -0.188 0.000 2.567 686 N HA -0.057 4.683 4.740 0.001 0.000 0.195 686 N C 0.141 175.604 175.510 -0.079 0.000 1.242 686 N CA 0.426 53.412 53.050 -0.107 0.000 0.884 686 N CB 0.030 38.484 38.487 -0.054 0.000 1.007 686 N HN 0.564 nan 8.380 nan 0.000 0.450 687 E N -0.314 119.820 120.200 -0.110 0.000 2.869 687 E HA 0.150 4.501 4.350 0.001 0.000 0.207 687 E C 0.019 176.547 176.600 -0.120 0.000 0.986 687 E CA -0.478 55.880 56.400 -0.071 0.000 1.131 687 E CB 0.267 29.957 29.700 -0.017 0.000 1.098 687 E HN 0.175 nan 8.360 nan 0.000 0.459 688 G N 1.700 110.419 108.800 -0.135 0.000 2.359 688 G HA2 -0.260 3.700 3.960 0.001 0.000 0.278 688 G HA3 -0.260 3.700 3.960 0.001 0.000 0.278 688 G C 0.559 175.362 174.900 -0.162 0.000 0.872 688 G CA 0.670 45.687 45.100 -0.139 0.000 1.185 688 G HN 0.399 nan 8.290 nan 0.000 0.474 689 L N -1.512 119.575 121.223 -0.226 0.000 2.685 689 L HA 0.298 4.639 4.340 0.001 0.000 0.235 689 L C 0.472 177.234 176.870 -0.180 0.000 1.070 689 L CA 0.175 54.862 54.840 -0.255 0.000 0.888 689 L CB 0.606 42.423 42.059 -0.403 0.000 1.203 689 L HN 0.186 nan 8.230 nan 0.000 0.499 690 V N -0.132 119.653 119.914 -0.216 0.000 2.808 690 V HA 0.353 4.473 4.120 0.001 0.000 0.308 690 V C -0.908 175.084 176.094 -0.169 0.000 1.099 690 V CA -0.723 61.495 62.300 -0.136 0.000 0.920 690 V CB 2.835 34.488 31.823 -0.282 0.000 1.014 690 V HN 0.040 nan 8.190 nan 0.000 0.425 691 E N 1.804 121.995 120.200 -0.015 0.000 2.244 691 E HA 0.483 4.834 4.350 0.001 0.000 0.266 691 E C -1.526 175.139 176.600 0.108 0.000 0.914 691 E CA -0.786 55.597 56.400 -0.027 0.000 0.794 691 E CB 2.196 31.942 29.700 0.078 0.000 1.210 691 E HN 0.713 nan 8.360 nan 0.000 0.414 692 Y N 3.026 123.317 120.300 -0.015 0.000 2.691 692 Y HA 0.261 4.811 4.550 0.001 0.000 0.338 692 Y C 0.097 175.967 175.900 -0.051 0.000 1.148 692 Y CA -0.656 57.432 58.100 -0.020 0.000 1.430 692 Y CB 0.289 38.590 38.460 -0.264 0.000 1.303 692 Y HN 0.233 nan 8.280 nan 0.000 0.499 693 I N 5.086 125.763 120.570 0.177 0.000 2.322 693 I HA 0.010 4.181 4.170 0.001 0.000 0.292 693 I C 0.408 176.629 176.117 0.173 0.000 1.060 693 I CA -0.473 60.882 61.300 0.092 0.000 1.309 693 I CB 0.301 38.284 38.000 -0.029 0.000 1.415 693 I HN 0.622 nan 8.210 nan 0.000 0.492 694 D N 6.168 126.673 120.400 0.176 0.000 2.376 694 D HA 0.121 4.761 4.640 0.001 0.000 0.268 694 D C 1.001 177.424 176.300 0.204 0.000 1.252 694 D CA -0.406 53.732 54.000 0.230 0.000 1.041 694 D CB 0.868 41.798 40.800 0.218 0.000 1.109 694 D HN 0.439 nan 8.370 nan 0.000 0.552 695 A N -0.751 122.206 122.820 0.227 0.000 1.930 695 A HA -0.119 4.202 4.320 0.001 0.000 0.215 695 A C 2.051 179.806 177.584 0.285 0.000 1.176 695 A CA 1.666 53.860 52.037 0.262 0.000 0.632 695 A CB -0.746 18.445 19.000 0.319 0.000 0.819 695 A HN 0.612 nan 8.150 nan 0.000 0.445 696 E N 0.448 120.796 120.200 0.246 0.000 2.007 696 E HA -0.213 4.137 4.350 0.001 0.000 0.194 696 E C 1.925 178.618 176.600 0.155 0.000 0.999 696 E CA 1.892 58.414 56.400 0.204 0.000 0.811 696 E CB -0.367 29.457 29.700 0.207 0.000 0.762 696 E HN 0.641 nan 8.360 nan 0.000 0.450 697 E N -0.031 120.244 120.200 0.125 0.000 2.118 697 E HA -0.277 4.073 4.350 0.001 0.000 0.195 697 E C 2.014 178.658 176.600 0.073 0.000 0.992 697 E CA 1.273 57.719 56.400 0.076 0.000 0.804 697 E CB -0.145 29.587 29.700 0.054 0.000 0.741 697 E HN 0.366 nan 8.360 nan 0.000 0.458 698 E N 0.328 120.585 120.200 0.095 0.000 2.147 698 E HA -0.269 4.081 4.350 0.001 0.000 0.199 698 E C 1.906 178.557 176.600 0.085 0.000 1.005 698 E CA 1.229 57.677 56.400 0.081 0.000 0.810 698 E CB 0.087 29.863 29.700 0.125 0.000 0.736 698 E HN 0.189 nan 8.360 nan 0.000 0.460 699 E N 0.169 120.444 120.200 0.126 0.000 2.097 699 E HA -0.159 4.191 4.350 0.001 0.000 0.196 699 E C 1.484 178.131 176.600 0.078 0.000 1.000 699 E CA 1.474 57.948 56.400 0.124 0.000 0.804 699 E CB -0.169 29.631 29.700 0.166 0.000 0.740 699 E HN 0.274 nan 8.360 nan 0.000 0.454 700 S N 0.316 116.057 115.700 0.068 0.000 2.596 700 S HA 0.375 4.845 4.470 0.001 0.000 0.248 700 S C 0.649 175.287 174.600 0.063 0.000 1.162 700 S CA -0.604 57.630 58.200 0.057 0.000 1.185 700 S CB -1.034 62.197 63.200 0.051 0.000 0.833 700 S HN 0.274 nan 8.310 nan 0.000 0.472 701 I N -2.861 117.747 120.570 0.062 0.000 3.195 701 I HA 0.801 4.971 4.170 0.001 0.000 0.313 701 I C -1.836 174.327 176.117 0.077 0.000 1.237 701 I CA -1.705 59.654 61.300 0.097 0.000 0.963 701 I CB 1.738 39.797 38.000 0.099 0.000 1.278 701 I HN 0.128 nan 8.210 nan 0.000 0.460 702 L N 3.272 124.564 121.223 0.114 0.000 2.354 702 L HA 0.768 5.109 4.340 0.001 0.000 0.269 702 L C -1.370 175.616 176.870 0.194 0.000 1.005 702 L CA -0.575 54.310 54.840 0.075 0.000 0.819 702 L CB 1.824 43.861 42.059 -0.038 0.000 1.311 702 L HN 0.629 nan 8.230 nan 0.000 0.423 703 I N 3.137 123.830 120.570 0.205 0.000 2.686 703 I HA 0.707 4.878 4.170 0.001 0.000 0.295 703 I C -0.513 175.791 176.117 0.311 0.000 1.114 703 I CA -0.911 60.540 61.300 0.253 0.000 1.038 703 I CB 2.049 40.124 38.000 0.125 0.000 1.238 703 I HN 0.781 nan 8.210 nan 0.000 0.420 704 A N 4.638 127.584 122.820 0.210 0.000 2.312 704 A HA 0.604 4.924 4.320 0.001 0.000 0.326 704 A C 0.385 177.934 177.584 -0.058 0.000 1.172 704 A CA -0.472 51.525 52.037 -0.067 0.000 0.821 704 A CB 1.336 20.017 19.000 -0.530 0.000 1.166 704 A HN 0.797 nan 8.150 nan 0.000 0.493 705 M N 0.967 120.515 119.600 -0.088 0.000 2.111 705 M HA -0.001 4.480 4.480 0.001 0.000 0.257 705 M C 0.962 177.191 176.300 -0.118 0.000 1.096 705 M CA 1.871 57.114 55.300 -0.094 0.000 1.117 705 M CB -0.490 32.041 32.600 -0.116 0.000 1.265 705 M HN 0.753 nan 8.290 nan 0.000 0.427 706 Q N 0.878 120.599 119.800 -0.133 0.000 2.261 706 Q HA 0.168 4.509 4.340 0.001 0.000 0.252 706 Q C -1.757 174.181 176.000 -0.103 0.000 0.915 706 Q CA -1.659 54.079 55.803 -0.109 0.000 0.915 706 Q CB 0.907 29.587 28.738 -0.097 0.000 1.204 706 Q HN 0.264 nan 8.270 nan 0.000 0.421 707 P HA -0.262 nan 4.420 nan 0.000 0.215 707 P C 0.125 177.381 177.300 -0.074 0.000 1.153 707 P CA 1.520 64.608 63.100 -0.020 0.000 0.853 707 P CB 0.363 32.107 31.700 0.074 0.000 0.788 708 E N 0.200 120.363 120.200 -0.062 0.000 3.381 708 E HA -0.091 4.259 4.350 0.001 0.000 0.509 708 E C 1.445 177.957 176.600 -0.148 0.000 0.319 708 E CA -0.240 56.113 56.400 -0.078 0.000 3.013 708 E CB -1.214 28.460 29.700 -0.044 0.000 2.197 708 E HN -0.109 nan 8.360 nan 0.000 0.410 709 D N 0.632 120.940 120.400 -0.153 0.000 7.136 709 D HA -0.251 4.390 4.640 0.001 0.000 0.223 709 D C 1.451 177.490 176.300 -0.435 0.000 1.984 709 D CA 1.876 55.731 54.000 -0.243 0.000 0.688 709 D CB -0.457 40.251 40.800 -0.154 0.000 0.682 709 D HN 0.315 nan 8.370 nan 0.000 0.940 710 L N 0.606 121.632 121.223 -0.327 0.000 2.939 710 L HA 0.092 4.432 4.340 0.001 0.000 0.239 710 L C 1.316 177.975 176.870 -0.351 0.000 1.325 710 L CA 0.135 54.769 54.840 -0.344 0.000 1.170 710 L CB 0.050 41.896 42.059 -0.354 0.000 1.538 710 L HN -0.027 nan 8.230 nan 0.000 0.452 711 E N -0.833 119.207 120.200 -0.266 0.000 3.566 711 E HA 0.165 4.515 4.350 0.001 0.000 0.241 711 E C -1.767 174.875 176.600 0.070 0.000 1.208 711 E CA -0.045 56.339 56.400 -0.027 0.000 1.773 711 E CB -0.459 29.236 29.700 -0.008 0.000 1.818 711 E HN 0.234 nan 8.360 nan 0.000 0.865 712 P HA 0.111 nan 4.420 nan 0.000 0.281 712 P C -0.085 177.189 177.300 -0.043 0.000 1.274 712 P CA 0.234 63.277 63.100 -0.094 0.000 0.794 712 P CB 0.562 32.213 31.700 -0.081 0.000 1.201 713 A N -0.655 122.136 122.820 -0.048 0.000 2.450 713 A HA 0.359 4.680 4.320 0.001 0.000 0.281 713 A C 0.000 177.650 177.584 0.110 0.000 1.372 713 A CA -0.315 51.739 52.037 0.029 0.000 0.886 713 A CB 0.025 19.002 19.000 -0.038 0.000 1.462 713 A HN 0.620 nan 8.150 nan 0.000 0.514 714 E N -0.855 119.388 120.200 0.071 0.000 2.460 714 E HA 0.523 4.873 4.350 0.001 0.000 0.249 714 E C -0.509 176.111 176.600 0.034 0.000 0.962 714 E CA -0.514 55.926 56.400 0.066 0.000 0.787 714 E CB 1.063 30.795 29.700 0.052 0.000 1.341 714 E HN 0.843 nan 8.360 nan 0.000 0.407 723 V N 3.152 123.080 119.914 0.023 0.000 2.481 723 V HA 0.255 4.375 4.120 0.001 0.000 0.286 723 V C 0.172 176.282 176.094 0.026 0.000 1.042 723 V CA -0.667 61.649 62.300 0.025 0.000 0.928 723 V CB 1.859 33.698 31.823 0.027 0.000 0.986 723 V HN 0.132 nan 8.190 nan 0.000 0.462 724 D N 6.527 126.944 120.400 0.028 0.000 2.520 724 D HA 0.020 4.661 4.640 0.001 0.000 0.243 724 D C -1.205 175.112 176.300 0.028 0.000 1.160 724 D CA -0.625 53.393 54.000 0.029 0.000 0.877 724 D CB 1.632 42.453 40.800 0.034 0.000 1.150 724 D HN 0.406 nan 8.370 nan 0.000 0.494 725 P HA 0.017 nan 4.420 nan 0.000 0.245 725 P C 0.417 177.732 177.300 0.025 0.000 1.212 725 P CA 0.218 63.332 63.100 0.024 0.000 0.774 725 P CB 0.561 32.273 31.700 0.020 0.000 0.999 726 A N 0.243 123.080 122.820 0.029 0.000 1.938 726 A HA 0.103 4.423 4.320 0.001 0.000 0.207 726 A C 1.402 179.008 177.584 0.037 0.000 1.292 726 A CA 0.330 52.385 52.037 0.030 0.000 0.700 726 A CB -0.396 18.622 19.000 0.030 0.000 0.947 726 A HN 0.052 nan 8.150 nan 0.000 0.476 727 K N 0.521 120.947 120.400 0.043 0.000 2.177 727 K HA 0.015 4.335 4.320 0.001 0.000 0.246 727 K C 1.080 177.711 176.600 0.051 0.000 1.077 727 K CA 0.555 56.873 56.287 0.052 0.000 0.786 727 K CB 0.110 32.642 32.500 0.054 0.000 1.073 727 K HN 0.617 nan 8.250 nan 0.000 0.530 728 R N 0.108 120.642 120.500 0.057 0.000 2.225 728 R HA 0.315 4.655 4.340 0.001 0.000 0.139 728 R C 0.178 176.502 176.300 0.041 0.000 0.745 728 R CA -0.196 55.934 56.100 0.049 0.000 1.634 728 R CB -0.004 30.328 30.300 0.054 0.000 1.019 728 R HN 0.462 nan 8.270 nan 0.000 0.629 729 I N 1.008 121.600 120.570 0.037 0.000 2.642 729 I HA 0.283 4.453 4.170 0.001 0.000 0.273 729 I C -0.803 175.332 176.117 0.029 0.000 1.208 729 I CA -0.410 60.910 61.300 0.032 0.000 1.037 729 I CB 1.637 39.655 38.000 0.029 0.000 1.253 729 I HN 0.482 nan 8.210 nan 0.000 0.504 730 R N 2.871 123.387 120.500 0.027 0.000 2.308 730 R HA 0.463 4.803 4.340 0.001 0.000 0.305 730 R C 0.749 177.062 176.300 0.022 0.000 1.053 730 R CA -0.442 55.669 56.100 0.019 0.000 0.957 730 R CB 1.925 32.231 30.300 0.010 0.000 1.022 730 R HN 0.275 nan 8.270 nan 0.000 0.461 731 V N 1.354 121.281 119.914 0.022 0.000 2.176 731 V HA -0.150 3.971 4.120 0.001 0.000 0.145 731 V C 0.751 176.853 176.094 0.014 0.000 0.783 731 V CA 0.956 63.274 62.300 0.031 0.000 1.203 731 V CB -0.110 31.738 31.823 0.041 0.000 0.732 731 V HN 0.775 nan 8.190 nan 0.000 0.454 732 S N -1.312 114.378 115.700 -0.017 0.000 2.794 732 S HA 0.466 4.937 4.470 0.001 0.000 0.299 732 S C -0.454 174.130 174.600 -0.027 0.000 1.179 732 S CA -0.384 57.741 58.200 -0.125 0.000 0.838 732 S CB 1.350 64.141 63.200 -0.681 0.000 1.206 732 S HN 0.819 nan 8.310 nan 0.000 0.523 733 H N 0.247 119.190 119.070 -0.211 0.000 2.539 733 H HA 0.309 4.865 4.556 0.001 0.000 0.293 733 H C -0.537 174.846 175.328 0.092 0.000 1.156 733 H CA -0.423 55.640 56.048 0.024 0.000 1.012 733 H CB -0.998 28.767 29.762 0.004 0.000 1.600 733 H HN 0.473 nan 8.280 nan 0.000 0.538 734 H N 1.875 120.960 119.070 0.026 0.000 4.160 734 H HA 0.468 5.025 4.556 0.001 0.000 0.191 734 H C 0.148 175.476 175.328 0.001 0.000 1.546 734 H CA 0.604 56.633 56.048 -0.031 0.000 1.415 734 H CB -0.763 28.973 29.762 -0.044 0.000 1.703 734 H HN 0.712 nan 8.280 nan 0.000 0.771 735 A N 0.150 123.054 122.820 0.139 0.000 2.586 735 A HA 0.384 4.704 4.320 0.001 0.000 0.296 735 A C 0.011 177.605 177.584 0.016 0.000 1.040 735 A CA -0.765 51.240 52.037 -0.052 0.000 0.701 735 A CB 0.803 19.590 19.000 -0.356 0.000 1.277 735 A HN 0.217 nan 8.150 nan 0.000 0.413 736 T N 1.595 116.122 114.554 -0.046 0.000 3.584 736 T HA 0.341 4.692 4.350 0.001 0.000 0.259 736 T C 0.437 175.131 174.700 -0.010 0.000 1.009 736 T CA 0.590 62.740 62.100 0.084 0.000 1.103 736 T CB -0.137 68.798 68.868 0.112 0.000 1.099 736 T HN 0.756 nan 8.240 nan 0.000 0.539 737 T N -0.503 113.928 114.554 -0.206 0.000 2.986 737 T HA 0.273 4.623 4.350 0.001 0.000 0.264 737 T C 0.511 175.150 174.700 -0.102 0.000 0.964 737 T CA -0.460 61.551 62.100 -0.148 0.000 0.895 737 T CB -0.180 68.581 68.868 -0.178 0.000 1.163 737 T HN 0.377 nan 8.240 nan 0.000 0.517 738 F N 4.196 124.169 119.950 0.038 0.000 2.374 738 F HA -0.052 4.475 4.527 0.001 0.000 0.405 738 F C 2.129 177.935 175.800 0.010 0.000 0.976 738 F CA 0.218 58.242 58.000 0.040 0.000 1.037 738 F CB -0.338 38.688 39.000 0.044 0.000 0.888 738 F HN 0.182 nan 8.300 nan 0.000 0.519 739 T N -0.408 114.248 114.554 0.169 0.000 2.894 739 T HA 0.010 4.360 4.350 0.001 0.000 0.258 739 T C 0.346 174.903 174.700 -0.238 0.000 1.043 739 T CA 0.896 62.987 62.100 -0.015 0.000 1.141 739 T CB -0.191 68.735 68.868 0.097 0.000 0.873 739 T HN 0.537 nan 8.240 nan 0.000 0.449 740 H N -1.119 118.037 119.070 0.144 0.000 2.908 740 H HA 0.785 5.341 4.556 0.001 0.000 0.350 740 H C -1.059 174.357 175.328 0.146 0.000 1.217 740 H CA -1.230 54.898 56.048 0.135 0.000 1.168 740 H CB 1.472 31.302 29.762 0.114 0.000 1.891 740 H HN 0.362 nan 8.280 nan 0.000 0.566 741 C N 0.606 120.076 119.300 0.283 0.000 2.985 741 C HA 0.428 4.888 4.460 0.001 0.000 0.314 741 C C -0.699 174.345 174.990 0.089 0.000 1.215 741 C CA -0.498 58.623 59.018 0.172 0.000 1.414 741 C CB 1.063 28.899 27.740 0.160 0.000 1.842 741 C HN 0.919 nan 8.230 nan 0.000 0.477 742 E N 2.991 123.197 120.200 0.010 0.000 2.324 742 E HA 0.203 4.553 4.350 0.001 0.000 0.271 742 E C 1.319 177.761 176.600 -0.265 0.000 1.028 742 E CA -0.123 56.228 56.400 -0.083 0.000 0.890 742 E CB 0.456 30.146 29.700 -0.016 0.000 1.004 742 E HN 0.483 nan 8.360 nan 0.000 0.431 743 I N 2.423 122.725 120.570 -0.446 0.000 2.118 743 I HA -0.196 3.975 4.170 0.001 0.000 0.241 743 I C 0.789 176.726 176.117 -0.300 0.000 1.070 743 I CA 1.700 62.624 61.300 -0.627 0.000 1.327 743 I CB -1.179 36.542 38.000 -0.465 0.000 1.034 743 I HN 0.603 nan 8.210 nan 0.000 0.405 744 H N -0.227 118.652 119.070 -0.319 0.000 3.140 744 H HA 0.206 4.763 4.556 0.001 0.000 0.336 744 H C -2.115 173.141 175.328 -0.121 0.000 1.142 744 H CA -0.830 55.049 56.048 -0.281 0.000 1.308 744 H CB 1.981 31.409 29.762 -0.556 0.000 1.970 744 H HN -0.290 nan 8.280 nan 0.000 0.521 745 P HA -0.168 nan 4.420 nan 0.000 0.217 745 P C 1.142 178.510 177.300 0.112 0.000 1.150 745 P CA 1.737 64.729 63.100 -0.180 0.000 0.832 745 P CB 0.121 31.523 31.700 -0.496 0.000 0.787 746 S N -1.157 114.809 115.700 0.443 0.000 2.547 746 S HA -0.114 4.356 4.470 0.001 0.000 0.255 746 S C 1.568 176.348 174.600 0.300 0.000 0.977 746 S CA 0.913 59.461 58.200 0.580 0.000 0.960 746 S CB -1.080 62.579 63.200 0.766 0.000 0.746 746 S HN -0.007 nan 8.310 nan 0.000 0.532 747 M N 1.185 120.886 119.600 0.169 0.000 2.495 747 M HA 0.356 4.836 4.480 0.001 0.000 0.237 747 M C 1.452 177.714 176.300 -0.064 0.000 1.131 747 M CA 0.013 55.358 55.300 0.075 0.000 1.032 747 M CB -0.965 31.676 32.600 0.068 0.000 1.513 747 M HN 0.539 nan 8.290 nan 0.000 0.488 748 I N -2.032 118.432 120.570 -0.177 0.000 3.111 748 I HA 0.015 4.185 4.170 0.001 0.000 0.272 748 I C 0.780 176.772 176.117 -0.207 0.000 1.268 748 I CA 0.168 61.239 61.300 -0.382 0.000 1.467 748 I CB -0.393 37.152 38.000 -0.758 0.000 1.087 748 I HN 0.014 nan 8.210 nan 0.000 0.467 749 L N 1.522 122.693 121.223 -0.087 0.000 2.456 749 L HA 0.589 4.929 4.340 0.001 0.000 0.257 749 L C 0.628 177.468 176.870 -0.050 0.000 1.162 749 L CA -0.374 54.432 54.840 -0.056 0.000 0.808 749 L CB 0.830 42.878 42.059 -0.017 0.000 1.136 749 L HN 0.140 nan 8.230 nan 0.000 0.466 750 G N -0.583 108.182 108.800 -0.058 0.000 2.498 750 G HA2 0.464 4.425 3.960 0.001 0.000 0.312 750 G HA3 0.464 4.425 3.960 0.001 0.000 0.312 750 G C 0.707 175.568 174.900 -0.065 0.000 1.230 750 G CA -0.586 44.479 45.100 -0.058 0.000 0.968 750 G HN 0.440 nan 8.290 nan 0.000 0.481 751 V N 1.702 121.574 119.914 -0.070 0.000 2.308 751 V HA -0.438 3.682 4.120 0.001 0.000 0.251 751 V C 3.314 179.348 176.094 -0.099 0.000 1.055 751 V CA 3.490 65.737 62.300 -0.089 0.000 1.105 751 V CB -1.723 30.048 31.823 -0.087 0.000 0.785 751 V HN 1.147 nan 8.190 nan 0.000 0.479 752 A N 0.377 123.145 122.820 -0.087 0.000 1.941 752 A HA -0.323 3.997 4.320 0.001 0.000 0.220 752 A C 2.474 179.993 177.584 -0.108 0.000 1.407 752 A CA 4.286 56.268 52.037 -0.090 0.000 0.766 752 A CB -1.580 17.377 19.000 -0.072 0.000 0.838 752 A HN 1.218 nan 8.150 nan 0.000 0.482 753 A N -1.192 121.574 122.820 -0.089 0.000 1.915 753 A HA -0.208 4.112 4.320 0.001 0.000 0.220 753 A C 2.326 179.841 177.584 -0.116 0.000 1.198 753 A CA 2.773 54.755 52.037 -0.091 0.000 0.647 753 A CB -1.377 17.581 19.000 -0.070 0.000 0.825 753 A HN 0.812 nan 8.150 nan 0.000 0.456 754 S N -0.377 115.258 115.700 -0.108 0.000 2.461 754 S HA -0.189 4.281 4.470 0.001 0.000 0.249 754 S C 1.377 175.861 174.600 -0.193 0.000 1.012 754 S CA 1.695 59.826 58.200 -0.115 0.000 0.982 754 S CB -0.628 62.519 63.200 -0.089 0.000 0.764 754 S HN 0.643 nan 8.310 nan 0.000 0.506 755 I N 0.033 120.450 120.570 -0.255 0.000 3.941 755 I HA 0.216 4.387 4.170 0.001 0.000 0.321 755 I C 0.139 176.082 176.117 -0.289 0.000 1.284 755 I CA 0.062 61.136 61.300 -0.377 0.000 1.226 755 I CB -0.039 37.651 38.000 -0.517 0.000 1.045 755 I HN 0.102 nan 8.210 nan 0.000 0.420 756 I N 5.142 125.577 120.570 -0.224 0.000 2.452 756 I HA 0.145 4.315 4.170 0.001 0.000 0.287 756 I C -2.056 173.945 176.117 -0.193 0.000 1.079 756 I CA -1.680 59.490 61.300 -0.217 0.000 1.387 756 I CB 0.165 38.074 38.000 -0.151 0.000 1.404 756 I HN -0.159 nan 8.210 nan 0.000 0.522 757 P HA 0.095 nan 4.420 nan 0.000 0.276 757 P C -0.038 177.218 177.300 -0.074 0.000 1.230 757 P CA -0.058 62.857 63.100 -0.308 0.000 0.776 757 P CB 0.436 31.931 31.700 -0.343 0.000 0.888 758 F N 0.803 120.804 119.950 0.085 0.000 3.100 758 F HA -0.195 4.332 4.527 0.001 0.000 0.283 758 F C -0.656 175.238 175.800 0.158 0.000 0.900 758 F CA -0.319 57.791 58.000 0.183 0.000 1.010 758 F CB -1.959 37.155 39.000 0.190 0.000 1.029 758 F HN 0.342 nan 8.300 nan 0.000 0.637 759 P HA -0.235 nan 4.420 nan 0.000 0.218 759 P C 0.818 178.128 177.300 0.017 0.000 1.150 759 P CA 2.248 65.382 63.100 0.057 0.000 0.841 759 P CB -0.188 31.477 31.700 -0.058 0.000 0.784 760 D N -1.326 119.026 120.400 -0.080 0.000 2.652 760 D HA -0.109 4.531 4.640 0.001 0.000 0.247 760 D C 0.615 176.702 176.300 -0.356 0.000 1.232 760 D CA 0.155 54.031 54.000 -0.206 0.000 0.863 760 D CB -0.956 39.655 40.800 -0.315 0.000 1.023 760 D HN 0.390 nan 8.370 nan 0.000 0.474 761 H N -0.890 118.211 119.070 0.051 0.000 3.770 761 H HA 0.156 4.712 4.556 0.001 0.000 0.264 761 H C -0.286 175.056 175.328 0.024 0.000 1.164 761 H CA -0.460 55.608 56.048 0.034 0.000 1.158 761 H CB 0.598 30.380 29.762 0.034 0.000 1.653 761 H HN 0.082 nan 8.280 nan 0.000 0.795 762 N N 1.401 120.175 118.700 0.122 0.000 2.335 762 N HA 0.076 4.816 4.740 0.001 0.000 0.304 762 N C 0.010 175.534 175.510 0.023 0.000 1.135 762 N CA -0.495 52.597 53.050 0.069 0.000 0.817 762 N CB 2.189 40.731 38.487 0.091 0.000 1.294 762 N HN 0.191 nan 8.380 nan 0.000 0.497 763 Q N 1.042 120.838 119.800 -0.007 0.000 2.244 763 Q HA -0.038 4.302 4.340 0.001 0.000 0.276 763 Q C 1.116 177.094 176.000 -0.037 0.000 1.122 763 Q CA 0.255 56.043 55.803 -0.026 0.000 0.920 763 Q CB 0.390 29.099 28.738 -0.048 0.000 1.186 763 Q HN 0.719 nan 8.270 nan 0.000 0.393 764 S N 5.262 120.951 115.700 -0.018 0.000 2.513 764 S HA -0.235 4.235 4.470 0.001 0.000 0.311 764 S C -0.764 173.811 174.600 -0.042 0.000 1.227 764 S CA 2.237 60.427 58.200 -0.016 0.000 1.234 764 S CB -0.997 62.201 63.200 -0.003 0.000 1.244 764 S HN 0.880 nan 8.310 nan 0.000 0.445 765 P HA -0.114 nan 4.420 nan 0.000 0.218 765 P C 1.208 178.341 177.300 -0.279 0.000 1.148 765 P CA 1.181 64.205 63.100 -0.128 0.000 0.822 765 P CB -0.326 31.295 31.700 -0.131 0.000 0.784 766 R N -0.105 120.225 120.500 -0.284 0.000 2.211 766 R HA -0.080 4.260 4.340 0.001 0.000 0.240 766 R C 1.836 178.057 176.300 -0.131 0.000 1.144 766 R CA 0.802 56.723 56.100 -0.298 0.000 0.992 766 R CB -1.146 29.075 30.300 -0.133 0.000 0.869 766 R HN 0.376 nan 8.270 nan 0.000 0.462 767 N N -0.449 118.212 118.700 -0.064 0.000 2.333 767 N HA -0.051 4.690 4.740 0.001 0.000 0.178 767 N C 1.369 176.889 175.510 0.015 0.000 1.018 767 N CA 1.135 54.176 53.050 -0.014 0.000 0.882 767 N CB -0.131 38.349 38.487 -0.012 0.000 0.984 767 N HN 0.140 nan 8.380 nan 0.000 0.434 768 T N 0.658 115.233 114.554 0.036 0.000 2.881 768 T HA -0.064 4.287 4.350 0.001 0.000 0.270 768 T C 1.654 176.507 174.700 0.255 0.000 1.068 768 T CA 0.976 63.147 62.100 0.119 0.000 1.131 768 T CB -0.202 68.755 68.868 0.149 0.000 0.871 768 T HN 0.388 nan 8.240 nan 0.000 0.479 769 Y N 0.861 121.145 120.300 -0.027 0.000 2.163 769 Y HA -0.082 4.468 4.550 0.001 0.000 0.288 769 Y C 2.989 178.865 175.900 -0.041 0.000 1.112 769 Y CA 0.289 58.371 58.100 -0.030 0.000 1.104 769 Y CB -0.333 38.119 38.460 -0.014 0.000 1.016 769 Y HN 0.051 nan 8.280 nan 0.000 0.497 770 Q N 1.065 120.954 119.800 0.148 0.000 2.290 770 Q HA -0.170 4.170 4.340 0.001 0.000 0.211 770 Q C 1.215 177.212 176.000 -0.006 0.000 0.991 770 Q CA 1.688 57.511 55.803 0.032 0.000 0.893 770 Q CB -0.460 28.259 28.738 -0.033 0.000 0.913 770 Q HN 0.134 nan 8.270 nan 0.000 0.428 771 S N -0.961 114.744 115.700 0.009 0.000 2.767 771 S HA 0.490 4.960 4.470 0.001 0.000 0.253 771 S C 0.372 174.954 174.600 -0.030 0.000 1.082 771 S CA 0.237 58.422 58.200 -0.023 0.000 1.148 771 S CB 0.146 63.333 63.200 -0.021 0.000 0.808 771 S HN 0.514 nan 8.310 nan 0.000 0.466 772 A N 0.155 122.955 122.820 -0.033 0.000 1.792 772 A HA 0.311 4.631 4.320 0.001 0.000 0.189 772 A C 1.375 178.908 177.584 -0.086 0.000 1.926 772 A CA -0.134 51.862 52.037 -0.069 0.000 1.493 772 A CB -0.276 18.679 19.000 -0.074 0.000 1.554 772 A HN 0.412 nan 8.150 nan 0.000 0.340 773 M N 0.462 120.032 119.600 -0.051 0.000 2.349 773 M HA 0.053 4.534 4.480 0.001 0.000 0.266 773 M C 2.111 178.373 176.300 -0.063 0.000 1.076 773 M CA 1.323 56.588 55.300 -0.058 0.000 1.126 773 M CB -0.243 32.350 32.600 -0.012 0.000 1.392 773 M HN 0.496 nan 8.290 nan 0.000 0.440 774 G N 1.252 110.023 108.800 -0.048 0.000 2.479 774 G HA2 -0.200 3.761 3.960 0.001 0.000 0.220 774 G HA3 -0.200 3.761 3.960 0.001 0.000 0.220 774 G C 1.446 176.324 174.900 -0.037 0.000 1.115 774 G CA 0.689 45.770 45.100 -0.032 0.000 0.757 774 G HN 0.446 nan 8.290 nan 0.000 0.560 775 K N -0.224 120.125 120.400 -0.086 0.000 2.476 775 K HA 0.143 4.463 4.320 0.001 0.000 0.196 775 K C 1.434 177.890 176.600 -0.240 0.000 1.025 775 K CA 0.198 56.407 56.287 -0.131 0.000 1.138 775 K CB 0.332 32.733 32.500 -0.165 0.000 0.860 775 K HN 0.340 nan 8.250 nan 0.000 0.515 776 Q N -0.465 119.219 119.800 -0.193 0.000 2.113 776 Q HA 0.215 4.555 4.340 0.001 0.000 0.225 776 Q C -0.173 175.736 176.000 -0.153 0.000 0.786 776 Q CA -0.333 55.312 55.803 -0.264 0.000 0.989 776 Q CB 1.363 29.931 28.738 -0.284 0.000 1.174 776 Q HN 0.197 nan 8.270 nan 0.000 0.470 777 A N 0.906 123.689 122.820 -0.061 0.000 2.327 777 A HA 0.476 4.797 4.320 0.001 0.000 0.255 777 A C 0.010 177.616 177.584 0.038 0.000 1.099 777 A CA -0.010 52.026 52.037 -0.002 0.000 0.801 777 A CB 0.407 19.425 19.000 0.030 0.000 1.062 777 A HN 0.199 nan 8.150 nan 0.000 0.496 778 M N 0.060 119.699 119.600 0.065 0.000 2.478 778 M HA 0.564 5.044 4.480 0.001 0.000 0.327 778 M C 0.769 177.127 176.300 0.097 0.000 1.187 778 M CA 0.374 55.726 55.300 0.087 0.000 1.022 778 M CB 1.977 34.631 32.600 0.090 0.000 1.629 778 M HN 1.001 nan 8.290 nan 0.000 0.461 779 G N 0.793 109.646 108.800 0.089 0.000 2.825 779 G HA2 0.424 4.384 3.960 0.001 0.000 0.100 779 G HA3 0.424 4.384 3.960 0.001 0.000 0.100 779 G C -1.709 173.191 174.900 0.000 0.000 1.195 779 G CA -0.354 44.776 45.100 0.051 0.000 1.317 779 G HN 0.508 nan 8.290 nan 0.000 0.632 780 V N 2.090 121.991 119.914 -0.022 0.000 2.555 780 V HA 0.316 4.436 4.120 0.001 0.000 0.283 780 V C 0.403 176.458 176.094 -0.065 0.000 1.020 780 V CA -0.355 61.867 62.300 -0.128 0.000 0.883 780 V CB 0.769 32.503 31.823 -0.148 0.000 1.030 780 V HN 0.881 nan 8.190 nan 0.000 0.448 781 F N 3.482 123.440 119.950 0.014 0.000 2.502 781 F HA 0.543 5.071 4.527 0.001 0.000 0.298 781 F C 0.235 176.107 175.800 0.121 0.000 1.111 781 F CA 0.485 58.533 58.000 0.080 0.000 1.445 781 F CB -0.061 38.957 39.000 0.030 0.000 1.081 781 F HN 0.278 nan 8.300 nan 0.000 0.558 782 L N -1.007 120.074 121.223 -0.236 0.000 3.079 782 L HA 0.176 4.517 4.340 0.001 0.000 0.278 782 L C 0.615 177.354 176.870 -0.219 0.000 1.026 782 L CA -0.031 54.752 54.840 -0.094 0.000 0.963 782 L CB 1.816 43.916 42.059 0.069 0.000 1.526 782 L HN -0.010 nan 8.230 nan 0.000 0.397 783 T N -4.142 110.329 114.554 -0.138 0.000 3.023 783 T HA 0.013 4.363 4.350 0.001 0.000 0.253 783 T C 0.831 175.346 174.700 -0.308 0.000 1.038 783 T CA 0.296 62.294 62.100 -0.170 0.000 0.962 783 T CB -0.266 68.542 68.868 -0.101 0.000 1.018 783 T HN 0.631 nan 8.240 nan 0.000 0.521 784 N N 1.423 119.970 118.700 -0.254 0.000 2.370 784 N HA -0.047 4.693 4.740 0.001 0.000 0.198 784 N C 1.430 176.791 175.510 -0.250 0.000 1.156 784 N CA -0.125 52.770 53.050 -0.260 0.000 0.839 784 N CB -0.662 37.727 38.487 -0.162 0.000 0.989 784 N HN 0.669 nan 8.380 nan 0.000 0.468 785 Y N 0.660 120.767 120.300 -0.321 0.000 2.241 785 Y HA -0.093 4.458 4.550 0.001 0.000 0.286 785 Y C 1.779 177.505 175.900 -0.290 0.000 1.166 785 Y CA 1.271 59.146 58.100 -0.376 0.000 1.203 785 Y CB -1.243 36.788 38.460 -0.714 0.000 0.977 785 Y HN 0.002 nan 8.280 nan 0.000 0.529 786 N N 0.435 118.669 118.700 -0.776 0.000 2.443 786 N HA -0.083 4.657 4.740 0.001 0.000 0.184 786 N C 0.283 175.695 175.510 -0.163 0.000 1.037 786 N CA 1.213 53.997 53.050 -0.442 0.000 0.896 786 N CB -0.041 38.112 38.487 -0.558 0.000 0.959 786 N HN 0.334 nan 8.380 nan 0.000 0.442 787 V N 0.128 119.952 119.914 -0.150 0.000 2.940 787 V HA 0.353 4.474 4.120 0.001 0.000 0.366 787 V C -0.075 176.013 176.094 -0.010 0.000 1.353 787 V CA -0.290 61.972 62.300 -0.064 0.000 1.232 787 V CB -0.220 31.555 31.823 -0.079 0.000 1.278 787 V HN 0.070 nan 8.190 nan 0.000 0.546 788 R N 0.980 121.495 120.500 0.024 0.000 2.476 788 R HA 0.578 4.919 4.340 0.001 0.000 0.305 788 R C -0.638 175.710 176.300 0.081 0.000 0.965 788 R CA -0.690 55.452 56.100 0.070 0.000 0.867 788 R CB 1.979 32.364 30.300 0.142 0.000 1.176 788 R HN 0.112 nan 8.270 nan 0.000 0.447 789 M N 3.870 123.512 119.600 0.071 0.000 3.512 789 M HA 0.132 4.613 4.480 0.001 0.000 0.231 789 M C -0.883 175.446 176.300 0.048 0.000 1.345 789 M CA -0.639 54.702 55.300 0.068 0.000 1.504 789 M CB -0.586 32.055 32.600 0.068 0.000 1.074 789 M HN 0.476 nan 8.290 nan 0.000 0.615 790 D N 0.045 120.467 120.400 0.037 0.000 2.185 790 D HA 0.341 4.982 4.640 0.001 0.000 0.247 790 D C 0.064 176.347 176.300 -0.029 0.000 1.027 790 D CA -0.555 53.435 54.000 -0.017 0.000 0.861 790 D CB 0.653 41.407 40.800 -0.076 0.000 1.202 790 D HN 0.258 nan 8.370 nan 0.000 0.453 791 T N -0.368 114.150 114.554 -0.060 0.000 2.784 791 T HA 0.301 4.651 4.350 0.001 0.000 0.291 791 T C 0.810 175.477 174.700 -0.054 0.000 0.942 791 T CA -0.798 61.255 62.100 -0.078 0.000 1.161 791 T CB -0.200 68.615 68.868 -0.087 0.000 0.885 791 T HN 0.670 nan 8.240 nan 0.000 0.534 792 M N 1.775 121.373 119.600 -0.004 0.000 4.047 792 M HA -0.043 4.437 4.480 0.001 0.000 0.157 792 M C -0.704 175.673 176.300 0.127 0.000 1.532 792 M CA 0.992 56.389 55.300 0.161 0.000 1.097 792 M CB -1.044 31.656 32.600 0.167 0.000 1.346 792 M HN 1.581 nan 8.290 nan 0.000 0.190 793 A N 4.940 127.942 122.820 0.305 0.000 2.573 793 A HA 0.678 4.998 4.320 0.001 0.000 0.299 793 A C -1.516 176.296 177.584 0.380 0.000 1.060 793 A CA -0.900 51.270 52.037 0.222 0.000 0.736 793 A CB 1.263 20.371 19.000 0.179 0.000 1.280 793 A HN 0.772 nan 8.150 nan 0.000 0.401 794 N N 1.032 119.889 118.700 0.262 0.000 2.372 794 N HA 0.630 5.370 4.740 0.001 0.000 0.291 794 N C -1.495 174.091 175.510 0.126 0.000 1.024 794 N CA -0.299 52.883 53.050 0.220 0.000 0.873 794 N CB 1.963 40.513 38.487 0.104 0.000 1.206 794 N HN 0.469 nan 8.380 nan 0.000 0.486 795 I N 2.095 122.704 120.570 0.066 0.000 2.433 795 I HA 0.254 4.424 4.170 0.001 0.000 0.292 795 I C -0.452 175.700 176.117 0.058 0.000 1.001 795 I CA -0.849 60.403 61.300 -0.080 0.000 1.119 795 I CB 1.644 39.388 38.000 -0.427 0.000 1.289 795 I HN 0.322 nan 8.210 nan 0.000 0.438 796 L N 7.645 128.904 121.223 0.060 0.000 2.313 796 L HA 0.209 4.549 4.340 0.001 0.000 0.282 796 L C 0.595 177.579 176.870 0.190 0.000 1.092 796 L CA 0.459 55.375 54.840 0.126 0.000 0.831 796 L CB -0.016 42.109 42.059 0.110 0.000 1.159 796 L HN 0.498 nan 8.230 nan 0.000 0.442 797 Y N 5.178 125.468 120.300 -0.017 0.000 1.977 797 Y HA -0.273 4.277 4.550 0.001 0.000 0.264 797 Y C 0.544 176.541 175.900 0.162 0.000 1.167 797 Y CA 1.832 59.887 58.100 -0.075 0.000 1.102 797 Y CB -0.625 37.605 38.460 -0.383 0.000 0.948 797 Y HN 0.508 nan 8.280 nan 0.000 0.489 798 Y N 0.869 121.266 120.300 0.162 0.000 2.842 798 Y HA 0.296 4.847 4.550 0.001 0.000 0.334 798 Y C -2.175 173.718 175.900 -0.012 0.000 1.019 798 Y CA -2.950 55.175 58.100 0.041 0.000 1.258 798 Y CB 0.599 39.073 38.460 0.024 0.000 1.106 798 Y HN -0.001 nan 8.280 nan 0.000 0.545 799 P HA 0.155 nan 4.420 nan 0.000 0.274 799 P C -1.005 176.303 177.300 0.012 0.000 1.246 799 P CA -0.203 62.924 63.100 0.046 0.000 0.795 799 P CB 0.800 32.495 31.700 -0.008 0.000 1.006 800 Q N 0.072 119.879 119.800 0.012 0.000 2.281 800 Q HA 0.200 4.540 4.340 0.001 0.000 0.263 800 Q C -0.793 175.132 176.000 -0.125 0.000 0.989 800 Q CA -0.989 54.793 55.803 -0.035 0.000 0.852 800 Q CB 2.270 31.011 28.738 0.006 0.000 1.337 800 Q HN 0.400 nan 8.270 nan 0.000 0.418 801 K N 1.732 122.010 120.400 -0.203 0.000 2.401 801 K HA 0.319 4.640 4.320 0.001 0.000 0.278 801 K C -2.290 174.064 176.600 -0.410 0.000 1.018 801 K CA -1.199 54.908 56.287 -0.301 0.000 0.981 801 K CB 0.154 32.525 32.500 -0.215 0.000 0.933 801 K HN 0.155 nan 8.250 nan 0.000 0.477 802 P HA -0.052 nan 4.420 nan 0.000 0.270 802 P C 0.336 177.433 177.300 -0.339 0.000 1.223 802 P CA -0.189 62.443 63.100 -0.781 0.000 0.785 802 P CB 0.766 31.929 31.700 -0.896 0.000 0.923 803 L N 0.662 121.744 121.223 -0.235 0.000 2.131 803 L HA 0.079 4.419 4.340 0.001 0.000 0.206 803 L C 1.675 178.472 176.870 -0.121 0.000 1.087 803 L CA 1.182 55.942 54.840 -0.133 0.000 0.767 803 L CB -0.874 41.137 42.059 -0.079 0.000 0.917 803 L HN 0.492 nan 8.230 nan 0.000 0.441 804 G N -0.015 108.701 108.800 -0.140 0.000 2.339 804 G HA2 0.467 4.427 3.960 0.001 0.000 0.287 804 G HA3 0.467 4.427 3.960 0.001 0.000 0.287 804 G C -0.339 174.442 174.900 -0.198 0.000 1.163 804 G CA 0.045 45.049 45.100 -0.160 0.000 0.872 804 G HN 0.157 nan 8.290 nan 0.000 0.464 805 T N -1.493 112.941 114.554 -0.199 0.000 2.812 805 T HA 0.761 5.112 4.350 0.001 0.000 0.294 805 T C -0.502 174.076 174.700 -0.204 0.000 1.159 805 T CA -0.772 61.215 62.100 -0.188 0.000 1.008 805 T CB 2.200 70.986 68.868 -0.137 0.000 1.289 805 T HN 0.355 nan 8.240 nan 0.000 0.514 806 T N 1.295 115.733 114.554 -0.193 0.000 2.848 806 T HA 0.400 4.751 4.350 0.001 0.000 0.285 806 T C 1.227 175.802 174.700 -0.207 0.000 0.995 806 T CA -0.970 61.023 62.100 -0.178 0.000 0.970 806 T CB 1.734 70.506 68.868 -0.160 0.000 0.976 806 T HN 0.567 nan 8.240 nan 0.000 0.441 807 R N 1.777 122.097 120.500 -0.300 0.000 2.185 807 R HA -0.129 4.212 4.340 0.001 0.000 0.247 807 R C 2.183 178.277 176.300 -0.343 0.000 1.159 807 R CA 1.304 57.062 56.100 -0.569 0.000 0.988 807 R CB -1.002 28.503 30.300 -1.325 0.000 0.871 807 R HN 0.708 nan 8.270 nan 0.000 0.458 808 A N 1.136 123.859 122.820 -0.162 0.000 2.015 808 A HA -0.090 4.230 4.320 0.001 0.000 0.219 808 A C 2.268 179.905 177.584 0.088 0.000 1.163 808 A CA 1.057 53.136 52.037 0.071 0.000 0.646 808 A CB -0.342 18.686 19.000 0.048 0.000 0.806 808 A HN 0.203 nan 8.150 nan 0.000 0.448 809 M N -0.931 118.628 119.600 -0.069 0.000 2.080 809 M HA -0.209 4.271 4.480 0.001 0.000 0.260 809 M C 2.071 178.323 176.300 -0.080 0.000 1.068 809 M CA 2.000 57.250 55.300 -0.083 0.000 1.109 809 M CB -0.682 31.860 32.600 -0.096 0.000 1.342 809 M HN 0.582 nan 8.290 nan 0.000 0.405 810 E N 0.426 120.491 120.200 -0.225 0.000 2.233 810 E HA -0.260 4.090 4.350 0.001 0.000 0.210 810 E C 1.514 177.779 176.600 -0.557 0.000 1.046 810 E CA 2.070 58.192 56.400 -0.462 0.000 0.844 810 E CB -0.081 29.157 29.700 -0.770 0.000 0.741 810 E HN 0.679 nan 8.360 nan 0.000 0.465 811 Y N -0.852 119.361 120.300 -0.145 0.000 2.503 811 Y HA 0.149 4.699 4.550 0.001 0.000 0.278 811 Y C 1.792 177.542 175.900 -0.251 0.000 1.111 811 Y CA 0.163 58.100 58.100 -0.272 0.000 1.270 811 Y CB 0.136 38.187 38.460 -0.682 0.000 1.063 811 Y HN -0.025 nan 8.280 nan 0.000 0.548 812 L N 0.615 121.821 121.223 -0.029 0.000 2.612 812 L HA 0.044 4.385 4.340 0.001 0.000 0.230 812 L C 0.057 177.056 176.870 0.214 0.000 1.140 812 L CA 0.101 54.968 54.840 0.045 0.000 0.896 812 L CB -0.278 41.783 42.059 0.003 0.000 1.065 812 L HN 0.043 nan 8.230 nan 0.000 0.447 813 K N -0.158 120.310 120.400 0.113 0.000 4.040 813 K HA -0.263 4.058 4.320 0.001 0.000 0.279 813 K C 0.361 176.980 176.600 0.031 0.000 0.890 813 K CA 0.591 56.901 56.287 0.037 0.000 0.782 813 K CB -1.865 30.638 32.500 0.004 0.000 1.613 813 K HN 0.190 nan 8.250 nan 0.000 0.440 814 F N 0.854 120.739 119.950 -0.107 0.000 2.315 814 F HA 0.081 4.609 4.527 0.001 0.000 0.284 814 F C 1.981 177.695 175.800 -0.144 0.000 1.049 814 F CA 0.557 58.499 58.000 -0.096 0.000 1.323 814 F CB 0.111 39.069 39.000 -0.070 0.000 1.113 814 F HN 0.181 nan 8.300 nan 0.000 0.544 815 R N 0.219 120.672 120.500 -0.078 0.000 2.397 815 R HA -0.145 4.195 4.340 0.001 0.000 0.213 815 R C 1.154 177.313 176.300 -0.235 0.000 1.102 815 R CA 1.193 57.187 56.100 -0.177 0.000 1.040 815 R CB -0.353 29.884 30.300 -0.104 0.000 0.844 815 R HN 0.359 nan 8.270 nan 0.000 0.478 816 E N -0.187 119.832 120.200 -0.301 0.000 2.389 816 E HA 0.164 4.514 4.350 0.001 0.000 0.199 816 E C 0.015 176.301 176.600 -0.522 0.000 0.978 816 E CA 0.445 56.610 56.400 -0.391 0.000 0.912 816 E CB 0.722 30.113 29.700 -0.514 0.000 0.907 816 E HN 0.115 nan 8.360 nan 0.000 0.494 817 L N 1.460 122.360 121.223 -0.538 0.000 2.527 817 L HA 0.325 4.665 4.340 0.001 0.000 0.261 817 L C -2.409 174.192 176.870 -0.447 0.000 1.534 817 L CA -1.466 53.093 54.840 -0.467 0.000 0.757 817 L CB 0.941 42.666 42.059 -0.557 0.000 0.999 817 L HN -0.070 nan 8.230 nan 0.000 0.517 818 P HA -0.050 nan 4.420 nan 0.000 0.273 818 P C 0.241 177.399 177.300 -0.237 0.000 1.248 818 P CA 0.064 62.764 63.100 -0.667 0.000 0.817 818 P CB 1.197 32.674 31.700 -0.371 0.000 0.995 819 A N -1.126 121.698 122.820 0.007 0.000 2.568 819 A HA 0.611 4.932 4.320 0.001 0.000 0.287 819 A C 0.424 178.017 177.584 0.015 0.000 0.967 819 A CA 0.478 52.579 52.037 0.106 0.000 1.004 819 A CB -0.064 19.075 19.000 0.231 0.000 1.233 819 A HN 0.801 nan 8.150 nan 0.000 0.513 820 G N -0.710 108.096 108.800 0.010 0.000 2.364 820 G HA2 0.514 4.475 3.960 0.001 0.000 0.286 820 G HA3 0.514 4.475 3.960 0.001 0.000 0.286 820 G C -1.891 173.046 174.900 0.061 0.000 1.241 820 G CA -0.459 44.521 45.100 -0.200 0.000 0.887 820 G HN 0.253 nan 8.290 nan 0.000 0.484 821 Q N -0.002 119.777 119.800 -0.036 0.000 2.340 821 Q HA 0.324 4.665 4.340 0.001 0.000 0.276 821 Q C -1.267 174.870 176.000 0.227 0.000 1.048 821 Q CA -0.974 54.861 55.803 0.055 0.000 0.832 821 Q CB 2.401 30.865 28.738 -0.458 0.000 1.373 821 Q HN 0.468 nan 8.270 nan 0.000 0.409 822 N N 1.404 120.249 118.700 0.242 0.000 2.406 822 N HA 0.239 4.979 4.740 0.001 0.000 0.265 822 N C -1.075 174.488 175.510 0.089 0.000 1.203 822 N CA 0.191 53.356 53.050 0.193 0.000 0.945 822 N CB 0.947 39.473 38.487 0.064 0.000 1.165 822 N HN 0.515 nan 8.380 nan 0.000 0.485 823 A N 3.446 126.349 122.820 0.138 0.000 2.304 823 A HA 0.389 4.710 4.320 0.001 0.000 0.323 823 A C 0.461 178.088 177.584 0.072 0.000 1.195 823 A CA -0.772 51.310 52.037 0.075 0.000 0.826 823 A CB 0.628 19.688 19.000 0.100 0.000 1.184 823 A HN 0.518 nan 8.150 nan 0.000 0.496 824 I N 4.175 124.763 120.570 0.029 0.000 2.577 824 I HA 0.006 4.176 4.170 0.001 0.000 0.299 824 I C 0.778 176.809 176.117 -0.143 0.000 1.157 824 I CA 0.486 61.798 61.300 0.020 0.000 1.418 824 I CB -1.263 36.806 38.000 0.115 0.000 1.467 824 I HN 0.276 nan 8.210 nan 0.000 0.624 825 V N 5.750 125.593 119.914 -0.118 0.000 3.611 825 V HA 0.491 4.611 4.120 0.001 0.000 0.296 825 V C 0.784 176.590 176.094 -0.481 0.000 1.091 825 V CA -0.107 62.096 62.300 -0.161 0.000 1.103 825 V CB 1.519 33.389 31.823 0.079 0.000 1.157 825 V HN 0.928 nan 8.190 nan 0.000 0.471 826 A N 2.381 125.001 122.820 -0.333 0.000 2.517 826 A HA 0.415 4.735 4.320 0.001 0.000 0.300 826 A C -0.736 176.747 177.584 -0.169 0.000 1.225 826 A CA -0.567 51.211 52.037 -0.432 0.000 0.883 826 A CB -0.001 18.613 19.000 -0.644 0.000 1.459 826 A HN 0.580 nan 8.150 nan 0.000 0.437 827 I N 2.219 122.771 120.570 -0.030 0.000 2.573 827 I HA 0.320 4.490 4.170 0.001 0.000 0.295 827 I C 0.767 176.858 176.117 -0.042 0.000 1.141 827 I CA 0.891 62.199 61.300 0.013 0.000 1.364 827 I CB 0.052 38.109 38.000 0.095 0.000 1.447 827 I HN 0.724 nan 8.210 nan 0.000 0.571 828 A N 5.425 128.214 122.820 -0.053 0.000 2.581 828 A HA 0.559 4.879 4.320 0.001 0.000 0.290 828 A C -1.410 176.176 177.584 0.003 0.000 1.119 828 A CA -0.462 51.547 52.037 -0.048 0.000 0.670 828 A CB 1.462 20.414 19.000 -0.080 0.000 1.280 828 A HN 0.517 nan 8.150 nan 0.000 0.425 829 C N 1.258 120.577 119.300 0.032 0.000 2.223 829 C HA 0.714 5.174 4.460 0.001 0.000 0.324 829 C C -0.714 174.395 174.990 0.198 0.000 1.196 829 C CA -0.069 59.004 59.018 0.092 0.000 1.628 829 C CB -1.481 26.292 27.740 0.055 0.000 2.229 829 C HN 0.630 nan 8.230 nan 0.000 0.486 830 Y N 2.142 122.443 120.300 0.002 0.000 2.662 830 Y HA 0.548 5.098 4.550 0.001 0.000 0.335 830 Y C 1.489 177.423 175.900 0.057 0.000 1.066 830 Y CA 0.159 58.243 58.100 -0.027 0.000 1.116 830 Y CB 1.522 39.926 38.460 -0.094 0.000 1.308 830 Y HN 0.788 nan 8.280 nan 0.000 0.502 831 S N 0.616 116.122 115.700 -0.323 0.000 3.090 831 S HA -0.351 4.120 4.470 0.001 0.000 0.533 831 S C 1.235 175.947 174.600 0.187 0.000 0.943 831 S CA 2.467 60.639 58.200 -0.046 0.000 3.362 831 S CB -1.763 61.500 63.200 0.105 0.000 2.320 831 S HN 2.145 nan 8.310 nan 0.000 0.523 832 G N -1.934 107.094 108.800 0.381 0.000 4.362 832 G HA2 0.246 4.207 3.960 0.001 0.000 0.220 832 G HA3 0.246 4.207 3.960 0.001 0.000 0.220 832 G C 0.253 175.289 174.900 0.225 0.000 0.795 832 G CA 0.383 45.637 45.100 0.257 0.000 0.920 832 G HN 0.532 nan 8.290 nan 0.000 0.715 833 Y N 2.006 122.363 120.300 0.095 0.000 2.517 833 Y HA 0.116 4.667 4.550 0.001 0.000 0.281 833 Y C 2.259 178.201 175.900 0.070 0.000 1.125 833 Y CA 0.495 58.640 58.100 0.075 0.000 1.283 833 Y CB 0.035 38.543 38.460 0.079 0.000 1.042 833 Y HN 0.433 nan 8.280 nan 0.000 0.547 834 N N 0.160 119.002 118.700 0.236 0.000 2.398 834 N HA -0.060 4.681 4.740 0.001 0.000 0.188 834 N C 0.404 175.978 175.510 0.106 0.000 1.122 834 N CA 0.068 53.210 53.050 0.153 0.000 0.866 834 N CB -0.169 38.405 38.487 0.146 0.000 0.970 834 N HN 0.358 nan 8.380 nan 0.000 0.462 835 Q N 0.766 120.620 119.800 0.091 0.000 2.584 835 Q HA 0.000 4.341 4.340 0.001 0.000 0.235 835 Q C -0.133 175.882 176.000 0.025 0.000 1.079 835 Q CA -0.022 55.817 55.803 0.060 0.000 0.977 835 Q CB 0.397 29.147 28.738 0.021 0.000 1.293 835 Q HN 0.189 nan 8.270 nan 0.000 0.553 836 E N 1.676 121.881 120.200 0.007 0.000 2.162 836 E HA -0.325 4.025 4.350 0.001 0.000 0.209 836 E C -1.084 175.518 176.600 0.003 0.000 1.328 836 E CA 1.440 57.833 56.400 -0.010 0.000 0.712 836 E CB -1.492 28.187 29.700 -0.036 0.000 1.107 836 E HN 0.782 nan 8.360 nan 0.000 0.347 837 D N -1.179 119.236 120.400 0.025 0.000 2.767 837 D HA -0.138 4.503 4.640 0.001 0.000 0.239 837 D C -1.019 175.298 176.300 0.029 0.000 1.103 837 D CA 1.283 55.301 54.000 0.030 0.000 0.710 837 D CB -0.837 39.977 40.800 0.023 0.000 1.084 837 D HN 0.427 nan 8.370 nan 0.000 0.435 838 S N -0.762 114.960 115.700 0.038 0.000 2.536 838 S HA 0.755 5.225 4.470 0.001 0.000 0.271 838 S C -0.111 174.523 174.600 0.057 0.000 1.134 838 S CA -1.282 56.941 58.200 0.038 0.000 0.897 838 S CB 2.034 65.249 63.200 0.025 0.000 1.094 838 S HN 0.286 nan 8.310 nan 0.000 0.473 839 M N 1.493 121.125 119.600 0.053 0.000 2.478 839 M HA 0.625 5.106 4.480 0.001 0.000 0.327 839 M C -1.138 175.205 176.300 0.071 0.000 1.187 839 M CA -0.701 54.624 55.300 0.042 0.000 1.022 839 M CB 0.650 33.231 32.600 -0.031 0.000 1.629 839 M HN 0.634 nan 8.290 nan 0.000 0.461 840 I N 2.762 123.385 120.570 0.088 0.000 2.331 840 I HA 0.389 4.559 4.170 0.001 0.000 0.292 840 I C -0.449 175.717 176.117 0.082 0.000 0.998 840 I CA -0.284 61.101 61.300 0.142 0.000 1.267 840 I CB 1.543 39.688 38.000 0.242 0.000 1.386 840 I HN 0.751 nan 8.210 nan 0.000 0.476 841 M N 6.474 126.120 119.600 0.077 0.000 2.253 841 M HA 0.325 4.805 4.480 0.001 0.000 0.314 841 M C -0.466 175.877 176.300 0.072 0.000 1.019 841 M CA -0.741 54.582 55.300 0.039 0.000 0.932 841 M CB 1.474 34.083 32.600 0.015 0.000 1.606 841 M HN 0.478 nan 8.290 nan 0.000 0.430 842 N N 3.553 122.290 118.700 0.062 0.000 2.417 842 N HA -0.093 4.647 4.740 0.001 0.000 0.272 842 N C 0.514 176.065 175.510 0.068 0.000 1.304 842 N CA 0.571 53.670 53.050 0.081 0.000 0.906 842 N CB 0.873 39.391 38.487 0.051 0.000 1.135 842 N HN 0.737 nan 8.380 nan 0.000 0.483 843 Q N 3.192 123.039 119.800 0.078 0.000 2.002 843 Q HA -0.135 4.205 4.340 0.001 0.000 0.204 843 Q C 1.476 177.506 176.000 0.051 0.000 0.988 843 Q CA 1.973 57.807 55.803 0.053 0.000 0.843 843 Q CB -0.708 28.058 28.738 0.047 0.000 0.908 843 Q HN 0.703 nan 8.270 nan 0.000 0.420 844 S N 0.197 115.933 115.700 0.059 0.000 2.435 844 S HA -0.311 4.160 4.470 0.001 0.000 0.250 844 S C 1.911 176.537 174.600 0.044 0.000 1.065 844 S CA 2.696 60.927 58.200 0.051 0.000 1.243 844 S CB -1.051 62.182 63.200 0.055 0.000 1.158 844 S HN 0.758 nan 8.310 nan 0.000 0.430 845 S N 1.613 117.339 115.700 0.044 0.000 2.400 845 S HA -0.178 4.293 4.470 0.001 0.000 0.234 845 S C 1.758 176.379 174.600 0.035 0.000 1.049 845 S CA 1.740 59.961 58.200 0.036 0.000 1.039 845 S CB -1.005 62.212 63.200 0.028 0.000 0.856 845 S HN 0.536 nan 8.310 nan 0.000 0.465 846 I N 2.382 122.976 120.570 0.039 0.000 2.208 846 I HA -0.206 3.964 4.170 0.001 0.000 0.245 846 I C 2.339 178.470 176.117 0.023 0.000 1.097 846 I CA 1.728 63.051 61.300 0.038 0.000 1.363 846 I CB -0.597 37.429 38.000 0.043 0.000 1.051 846 I HN 0.279 nan 8.210 nan 0.000 0.413 847 D N 1.049 121.466 120.400 0.028 0.000 2.092 847 D HA -0.162 4.479 4.640 0.001 0.000 0.193 847 D C 1.980 178.302 176.300 0.037 0.000 0.994 847 D CA 1.195 55.211 54.000 0.028 0.000 0.828 847 D CB -0.341 40.478 40.800 0.032 0.000 0.963 847 D HN 0.341 nan 8.370 nan 0.000 0.450 848 R N 0.131 120.659 120.500 0.047 0.000 2.395 848 R HA 0.098 4.438 4.340 0.001 0.000 0.202 848 R C 1.054 177.411 176.300 0.094 0.000 1.088 848 R CA 0.602 56.745 56.100 0.071 0.000 1.090 848 R CB -0.222 30.118 30.300 0.068 0.000 0.876 848 R HN 0.208 nan 8.270 nan 0.000 0.477 849 G N 1.092 109.917 108.800 0.041 0.000 2.140 849 G HA2 -0.223 3.737 3.960 0.001 0.000 0.211 849 G HA3 -0.223 3.737 3.960 0.001 0.000 0.211 849 G C -0.225 174.642 174.900 -0.056 0.000 1.013 849 G CA -0.413 44.672 45.100 -0.025 0.000 0.705 849 G HN 0.230 nan 8.290 nan 0.000 0.508 850 L N 0.089 121.302 121.223 -0.016 0.000 2.416 850 L HA 0.700 5.040 4.340 0.001 0.000 0.272 850 L C 1.351 178.225 176.870 0.006 0.000 1.161 850 L CA 0.072 54.880 54.840 -0.053 0.000 0.845 850 L CB -0.671 41.374 42.059 -0.024 0.000 1.119 850 L HN 0.620 nan 8.230 nan 0.000 0.464 851 F N 2.049 121.951 119.950 -0.079 0.000 3.100 851 F HA -0.322 4.205 4.527 0.001 0.000 0.283 851 F C 1.210 176.937 175.800 -0.122 0.000 0.841 851 F CA 0.793 58.742 58.000 -0.084 0.000 1.026 851 F CB -0.750 38.178 39.000 -0.120 0.000 1.209 851 F HN 0.608 nan 8.300 nan 0.000 0.487 852 R N 0.722 121.148 120.500 -0.123 0.000 2.641 852 R HA 0.453 4.793 4.340 0.001 0.000 0.269 852 R C 0.529 176.550 176.300 -0.465 0.000 1.074 852 R CA 0.734 56.565 56.100 -0.450 0.000 1.133 852 R CB 1.158 30.890 30.300 -0.947 0.000 1.029 852 R HN 0.250 nan 8.270 nan 0.000 0.488 853 S N 1.488 116.918 115.700 -0.451 0.000 2.651 853 S HA 0.542 5.012 4.470 0.001 0.000 0.279 853 S C -0.512 174.119 174.600 0.052 0.000 1.148 853 S CA -1.061 57.088 58.200 -0.085 0.000 0.837 853 S CB 1.353 64.570 63.200 0.029 0.000 1.138 853 S HN 0.357 nan 8.310 nan 0.000 0.478 854 L N 0.662 122.044 121.223 0.266 0.000 2.397 854 L HA 0.754 5.095 4.340 0.001 0.000 0.266 854 L C -1.138 175.969 176.870 0.394 0.000 1.040 854 L CA -0.870 54.181 54.840 0.351 0.000 0.800 854 L CB 1.257 43.611 42.059 0.491 0.000 1.324 854 L HN 0.795 nan 8.230 nan 0.000 0.469 855 F N 1.322 121.382 119.950 0.183 0.000 3.055 855 F HA 0.424 4.952 4.527 0.001 0.000 0.358 855 F C -1.701 174.167 175.800 0.113 0.000 1.262 855 F CA -1.174 56.925 58.000 0.166 0.000 1.172 855 F CB 0.620 39.648 39.000 0.047 0.000 1.503 855 F HN -0.004 nan 8.300 nan 0.000 0.621 856 F N 5.457 125.372 119.950 -0.059 0.000 2.421 856 F HA 0.698 5.225 4.527 0.001 0.000 0.337 856 F C 0.318 175.880 175.800 -0.398 0.000 1.105 856 F CA -0.620 57.235 58.000 -0.241 0.000 1.049 856 F CB 1.648 40.634 39.000 -0.024 0.000 1.139 856 F HN 0.507 nan 8.300 nan 0.000 0.479 857 R N 0.372 120.668 120.500 -0.340 0.000 2.854 857 R HA 0.766 5.107 4.340 0.001 0.000 0.271 857 R C -1.413 174.745 176.300 -0.236 0.000 0.994 857 R CA -0.624 55.268 56.100 -0.347 0.000 0.945 857 R CB 1.860 31.826 30.300 -0.557 0.000 1.194 857 R HN 0.658 nan 8.270 nan 0.000 0.476 858 S N 2.220 117.755 115.700 -0.274 0.000 2.496 858 S HA 0.277 4.747 4.470 0.001 0.000 0.221 858 S C -1.286 173.205 174.600 -0.181 0.000 1.260 858 S CA -0.631 57.474 58.200 -0.157 0.000 1.181 858 S CB 0.172 63.345 63.200 -0.046 0.000 1.136 858 S HN 0.419 nan 8.310 nan 0.000 0.467 859 Y N 2.195 122.456 120.300 -0.065 0.000 2.459 859 Y HA 0.421 4.972 4.550 0.001 0.000 0.349 859 Y C 0.666 176.513 175.900 -0.088 0.000 1.266 859 Y CA -0.131 57.929 58.100 -0.065 0.000 1.483 859 Y CB 0.430 38.846 38.460 -0.074 0.000 1.362 859 Y HN 0.441 nan 8.280 nan 0.000 0.628 860 M N 1.638 121.285 119.600 0.079 0.000 2.622 860 M HA 0.401 4.881 4.480 0.001 0.000 0.276 860 M C -2.378 173.914 176.300 -0.013 0.000 1.265 860 M CA -0.419 54.853 55.300 -0.048 0.000 0.850 860 M CB 2.873 35.434 32.600 -0.065 0.000 1.720 860 M HN 0.878 nan 8.290 nan 0.000 0.465 861 D N 1.204 121.560 120.400 -0.073 0.000 2.728 861 D HA 0.389 5.029 4.640 0.001 0.000 0.249 861 D C -1.989 174.402 176.300 0.153 0.000 1.225 861 D CA -0.010 54.038 54.000 0.081 0.000 0.748 861 D CB 2.036 42.939 40.800 0.172 0.000 1.326 861 D HN 0.744 nan 8.370 nan 0.000 0.426 862 Q N 0.310 120.234 119.800 0.208 0.000 2.544 862 Q HA 0.424 4.765 4.340 0.001 0.000 0.291 862 Q C -0.909 175.110 176.000 0.032 0.000 1.068 862 Q CA -0.810 55.131 55.803 0.230 0.000 0.785 862 Q CB 2.471 31.374 28.738 0.275 0.000 1.481 862 Q HN 0.196 nan 8.270 nan 0.000 0.430 863 E N 1.584 121.763 120.200 -0.034 0.000 2.079 863 E HA 0.148 4.498 4.350 0.001 0.000 0.252 863 E C -1.024 175.548 176.600 -0.046 0.000 0.992 863 E CA -0.249 56.059 56.400 -0.153 0.000 0.829 863 E CB 0.549 30.116 29.700 -0.222 0.000 1.158 863 E HN 0.175 nan 8.360 nan 0.000 0.435 864 K N 2.012 122.394 120.400 -0.030 0.000 2.561 864 K HA 0.001 4.322 4.320 0.001 0.000 0.280 864 K C 0.318 176.894 176.600 -0.040 0.000 0.975 864 K CA 0.535 56.785 56.287 -0.061 0.000 1.024 864 K CB 0.524 32.977 32.500 -0.079 0.000 0.883 864 K HN 0.072 nan 8.250 nan 0.000 0.496 865 K N 1.662 121.970 120.400 -0.153 0.000 2.352 865 K HA 0.439 4.760 4.320 0.001 0.000 0.240 865 K C -1.385 175.060 176.600 -0.258 0.000 1.017 865 K CA -0.880 55.389 56.287 -0.030 0.000 0.851 865 K CB 1.355 33.855 32.500 -0.000 0.000 1.261 865 K HN 0.401 nan 8.250 nan 0.000 0.451 866 Y N -1.091 119.210 120.300 0.001 0.000 2.332 866 Y HA 0.197 4.747 4.550 0.001 0.000 0.325 866 Y C 1.211 177.114 175.900 0.006 0.000 1.054 866 Y CA -0.711 57.392 58.100 0.004 0.000 1.119 866 Y CB 1.682 40.143 38.460 0.002 0.000 1.168 866 Y HN 0.841 nan 8.280 nan 0.000 0.439 867 G N 2.183 111.050 108.800 0.112 0.000 2.661 867 G HA2 -0.348 3.612 3.960 0.001 0.000 0.224 867 G HA3 -0.348 3.612 3.960 0.001 0.000 0.224 867 G C 1.185 176.132 174.900 0.078 0.000 1.114 867 G CA 1.004 46.150 45.100 0.076 0.000 0.751 867 G HN 0.659 nan 8.290 nan 0.000 0.609 868 M N 1.506 121.163 119.600 0.096 0.000 2.752 868 M HA 0.245 4.726 4.480 0.001 0.000 0.216 868 M C 0.410 176.742 176.300 0.053 0.000 1.261 868 M CA -0.095 55.243 55.300 0.062 0.000 1.020 868 M CB -0.287 32.344 32.600 0.052 0.000 1.686 868 M HN 0.096 nan 8.290 nan 0.000 0.447 869 S N 1.295 117.036 115.700 0.068 0.000 3.312 869 S HA -0.149 4.322 4.470 0.001 0.000 0.423 869 S C -0.498 174.124 174.600 0.036 0.000 0.840 869 S CA 0.523 58.756 58.200 0.055 0.000 1.357 869 S CB -1.202 62.018 63.200 0.033 0.000 0.969 869 S HN 0.615 nan 8.310 nan 0.000 0.641 870 I N 2.129 122.737 120.570 0.063 0.000 2.571 870 I HA 0.336 4.506 4.170 0.001 0.000 0.286 870 I C -0.081 176.085 176.117 0.083 0.000 1.134 870 I CA -0.402 60.889 61.300 -0.015 0.000 1.052 870 I CB 2.493 40.363 38.000 -0.216 0.000 1.237 870 I HN 0.302 nan 8.210 nan 0.000 0.435 871 T N 4.057 118.635 114.554 0.040 0.000 2.893 871 T HA 0.424 4.774 4.350 0.001 0.000 0.291 871 T C -0.335 174.373 174.700 0.013 0.000 1.028 871 T CA -0.776 61.363 62.100 0.064 0.000 0.995 871 T CB 2.218 71.107 68.868 0.034 0.000 1.051 871 T HN 0.437 nan 8.240 nan 0.000 0.470 872 E N 0.765 120.969 120.200 0.006 0.000 2.351 872 E HA 0.646 4.996 4.350 0.001 0.000 0.255 872 E C -0.423 176.100 176.600 -0.129 0.000 1.188 872 E CA -0.669 55.697 56.400 -0.056 0.000 0.940 872 E CB 0.770 30.425 29.700 -0.074 0.000 1.094 872 E HN 0.483 nan 8.360 nan 0.000 0.474 873 T N 0.286 114.742 114.554 -0.163 0.000 2.889 873 T HA 0.282 4.633 4.350 0.001 0.000 0.315 873 T C -1.155 173.472 174.700 -0.123 0.000 1.291 873 T CA -0.733 61.268 62.100 -0.164 0.000 1.028 873 T CB 0.513 69.357 68.868 -0.039 0.000 1.235 873 T HN 0.272 nan 8.240 nan 0.000 0.491 874 F N 3.047 123.017 119.950 0.033 0.000 2.406 874 F HA 0.391 4.919 4.527 0.001 0.000 0.358 874 F C 1.103 176.920 175.800 0.027 0.000 1.161 874 F CA -0.514 57.503 58.000 0.028 0.000 1.185 874 F CB 0.352 39.364 39.000 0.021 0.000 1.421 874 F HN 0.576 nan 8.300 nan 0.000 0.576 875 E N 1.656 121.988 120.200 0.220 0.000 2.459 875 E HA 0.358 4.708 4.350 0.001 0.000 0.275 875 E C -1.445 175.234 176.600 0.132 0.000 0.987 875 E CA -1.378 55.104 56.400 0.137 0.000 0.828 875 E CB 1.741 31.494 29.700 0.088 0.000 1.428 875 E HN 0.234 nan 8.360 nan 0.000 0.457 876 K N 1.977 122.435 120.400 0.097 0.000 2.357 876 K HA 0.321 4.641 4.320 0.001 0.000 0.251 876 K C -2.165 174.458 176.600 0.039 0.000 1.069 876 K CA -1.842 54.511 56.287 0.109 0.000 0.994 876 K CB 0.694 33.247 32.500 0.089 0.000 1.411 876 K HN 0.369 nan 8.250 nan 0.000 0.450 877 P HA 0.148 nan 4.420 nan 0.000 0.289 877 P C -1.528 175.663 177.300 -0.181 0.000 1.299 877 P CA -0.348 62.703 63.100 -0.082 0.000 0.766 877 P CB 0.668 32.322 31.700 -0.078 0.000 1.226 878 Q N -1.830 117.869 119.800 -0.169 0.000 2.857 878 Q HA 0.328 4.669 4.340 0.001 0.000 0.214 878 Q C -0.267 175.659 176.000 -0.123 0.000 0.912 878 Q CA -0.826 54.869 55.803 -0.180 0.000 1.183 878 Q CB 0.640 29.298 28.738 -0.134 0.000 1.689 878 Q HN 0.263 nan 8.270 nan 0.000 0.565 879 R N 0.641 121.063 120.500 -0.129 0.000 3.603 879 R HA -0.215 4.125 4.340 0.001 0.000 0.560 879 R C -0.332 175.925 176.300 -0.070 0.000 0.241 879 R CA 1.689 57.736 56.100 -0.090 0.000 1.735 879 R CB -2.169 28.088 30.300 -0.070 0.000 0.912 879 R HN 1.500 nan 8.270 nan 0.000 0.603 880 T N 0.946 115.469 114.554 -0.052 0.000 3.944 880 T HA -0.139 4.212 4.350 0.001 0.000 0.376 880 T C 0.486 175.164 174.700 -0.038 0.000 0.759 880 T CA 0.994 63.069 62.100 -0.041 0.000 2.034 880 T CB -1.008 67.835 68.868 -0.041 0.000 1.791 880 T HN 0.640 nan 8.240 nan 0.000 0.846 881 N N -1.065 117.614 118.700 -0.035 0.000 3.811 881 N HA -0.231 4.509 4.740 0.001 0.000 0.237 881 N C 1.424 176.915 175.510 -0.032 0.000 0.239 881 N CA 1.858 54.890 53.050 -0.030 0.000 3.297 881 N CB -1.785 36.685 38.487 -0.027 0.000 1.356 881 N HN 0.486 nan 8.380 nan 0.000 0.265 882 T N 2.742 117.276 114.554 -0.034 0.000 2.564 882 T HA -0.130 4.220 4.350 0.001 0.000 0.264 882 T C 1.609 176.286 174.700 -0.038 0.000 1.100 882 T CA 2.944 65.024 62.100 -0.034 0.000 1.171 882 T CB -0.250 68.598 68.868 -0.034 0.000 0.863 882 T HN 0.509 nan 8.240 nan 0.000 0.430 883 L N -2.506 118.685 121.223 -0.052 0.000 3.803 883 L HA -0.171 4.169 4.340 0.001 0.000 0.407 883 L C 0.530 177.358 176.870 -0.069 0.000 0.735 883 L CA 0.502 55.305 54.840 -0.062 0.000 2.621 883 L CB -1.212 40.818 42.059 -0.048 0.000 1.075 883 L HN 0.200 nan 8.230 nan 0.000 0.644 884 R N 1.653 122.122 120.500 -0.052 0.000 2.853 884 R HA 0.317 4.657 4.340 0.001 0.000 0.238 884 R C 0.338 176.612 176.300 -0.043 0.000 1.538 884 R CA 0.455 56.529 56.100 -0.043 0.000 1.166 884 R CB 0.038 30.325 30.300 -0.022 0.000 1.201 884 R HN 0.431 nan 8.270 nan 0.000 0.606 885 M N 0.629 120.187 119.600 -0.069 0.000 2.320 885 M HA 0.433 4.913 4.480 0.001 0.000 0.219 885 M C 0.070 176.376 176.300 0.009 0.000 0.766 885 M CA -0.581 54.694 55.300 -0.041 0.000 1.815 885 M CB 0.525 33.027 32.600 -0.164 0.000 1.149 885 M HN -0.051 nan 8.290 nan 0.000 0.894 886 K N -0.078 120.378 120.400 0.094 0.000 2.466 886 K HA 0.366 4.686 4.320 0.001 0.000 0.260 886 K C 0.476 177.089 176.600 0.021 0.000 1.011 886 K CA -0.579 55.759 56.287 0.086 0.000 0.871 886 K CB 1.046 33.656 32.500 0.182 0.000 1.404 886 K HN 0.530 nan 8.250 nan 0.000 0.450 887 H N 0.107 119.241 119.070 0.106 0.000 2.470 887 H HA 0.025 4.581 4.556 0.001 0.000 0.289 887 H C 1.070 176.450 175.328 0.088 0.000 1.033 887 H CA 0.897 56.992 56.048 0.079 0.000 1.331 887 H CB 0.351 30.137 29.762 0.040 0.000 1.414 887 H HN 0.710 nan 8.280 nan 0.000 0.545 888 G N 0.557 109.460 108.800 0.172 0.000 2.744 888 G HA2 -0.031 3.929 3.960 0.001 0.000 0.257 888 G HA3 -0.031 3.929 3.960 0.001 0.000 0.257 888 G C -0.226 174.750 174.900 0.126 0.000 1.244 888 G CA -0.197 44.951 45.100 0.080 0.000 0.916 888 G HN 0.168 nan 8.290 nan 0.000 0.564 889 T N 0.920 115.506 114.554 0.055 0.000 2.811 889 T HA 0.218 4.568 4.350 0.001 0.000 0.309 889 T C 0.475 175.220 174.700 0.075 0.000 1.005 889 T CA -0.103 62.052 62.100 0.092 0.000 0.955 889 T CB 0.495 69.387 68.868 0.040 0.000 0.970 889 T HN 0.390 nan 8.240 nan 0.000 0.496 890 Y N 1.406 121.694 120.300 -0.020 0.000 2.497 890 Y HA -0.077 4.473 4.550 0.001 0.000 0.292 890 Y C 2.185 178.071 175.900 -0.024 0.000 1.137 890 Y CA 0.327 58.412 58.100 -0.024 0.000 1.285 890 Y CB -0.239 38.209 38.460 -0.020 0.000 0.991 890 Y HN 0.630 nan 8.280 nan 0.000 0.556 891 D N 0.248 120.723 120.400 0.124 0.000 2.362 891 D HA -0.198 4.442 4.640 0.001 0.000 0.215 891 D C 1.333 177.646 176.300 0.023 0.000 0.978 891 D CA 1.163 55.200 54.000 0.061 0.000 0.921 891 D CB -0.044 40.781 40.800 0.041 0.000 0.895 891 D HN 0.450 nan 8.370 nan 0.000 0.494 892 K N -0.157 120.241 120.400 -0.004 0.000 2.404 892 K HA 0.148 4.468 4.320 0.001 0.000 0.194 892 K C 0.659 177.236 176.600 -0.037 0.000 1.023 892 K CA -0.116 56.153 56.287 -0.030 0.000 1.094 892 K CB 0.649 33.115 32.500 -0.057 0.000 0.841 892 K HN 0.066 nan 8.250 nan 0.000 0.523 893 L N 1.549 122.760 121.223 -0.020 0.000 2.326 893 L HA 0.076 4.416 4.340 0.001 0.000 0.278 893 L C 0.413 177.282 176.870 -0.001 0.000 1.092 893 L CA -0.398 54.430 54.840 -0.019 0.000 0.810 893 L CB 0.939 43.005 42.059 0.012 0.000 1.153 893 L HN 0.020 nan 8.230 nan 0.000 0.439 894 D N 0.856 121.247 120.400 -0.015 0.000 2.182 894 D HA -0.011 4.630 4.640 0.001 0.000 0.284 894 D C 0.452 176.757 176.300 0.009 0.000 1.152 894 D CA 0.324 54.321 54.000 -0.006 0.000 1.032 894 D CB 0.418 41.208 40.800 -0.017 0.000 1.140 894 D HN 0.532 nan 8.370 nan 0.000 0.505 895 D N -1.814 118.592 120.400 0.010 0.000 2.423 895 D HA 0.043 4.683 4.640 0.001 0.000 0.208 895 D C 0.356 176.676 176.300 0.033 0.000 1.068 895 D CA 0.123 54.138 54.000 0.025 0.000 0.860 895 D CB 0.203 41.016 40.800 0.022 0.000 0.992 895 D HN 0.309 nan 8.370 nan 0.000 0.504 896 D N -0.371 120.037 120.400 0.014 0.000 2.363 896 D HA 0.111 4.751 4.640 0.001 0.000 0.226 896 D C 1.392 177.692 176.300 0.000 0.000 1.020 896 D CA 0.368 54.378 54.000 0.015 0.000 0.892 896 D CB -0.184 40.606 40.800 -0.016 0.000 0.900 896 D HN 0.092 nan 8.370 nan 0.000 0.531 897 G N -0.195 108.608 108.800 0.006 0.000 2.182 897 G HA2 -0.218 3.742 3.960 0.001 0.000 0.248 897 G HA3 -0.218 3.742 3.960 0.001 0.000 0.248 897 G C -0.198 174.631 174.900 -0.119 0.000 1.042 897 G CA 0.409 45.511 45.100 0.003 0.000 0.775 897 G HN 0.407 nan 8.290 nan 0.000 0.501 898 L N -1.422 119.728 121.223 -0.121 0.000 2.341 898 L HA 0.736 5.076 4.340 0.001 0.000 0.254 898 L C 0.475 177.279 176.870 -0.109 0.000 1.040 898 L CA -1.548 53.197 54.840 -0.158 0.000 0.837 898 L CB 1.729 43.676 42.059 -0.187 0.000 1.425 898 L HN 0.011 nan 8.230 nan 0.000 0.414 899 I N 0.576 121.077 120.570 -0.115 0.000 2.577 899 I HA 0.575 4.745 4.170 0.001 0.000 0.305 899 I C 0.176 176.249 176.117 -0.074 0.000 0.986 899 I CA -0.618 60.628 61.300 -0.091 0.000 1.189 899 I CB 1.861 39.799 38.000 -0.103 0.000 1.355 899 I HN 0.605 nan 8.210 nan 0.000 0.476 900 A N 5.453 128.239 122.820 -0.057 0.000 2.309 900 A HA 0.487 4.808 4.320 0.001 0.000 0.298 900 A C -1.803 175.755 177.584 -0.043 0.000 1.165 900 A CA -1.486 50.524 52.037 -0.045 0.000 0.821 900 A CB 0.332 19.312 19.000 -0.034 0.000 1.102 900 A HN 0.545 nan 8.150 nan 0.000 0.500 901 P HA -0.261 nan 4.420 nan 0.000 0.220 901 P C 1.676 178.957 177.300 -0.032 0.000 1.155 901 P CA 2.426 65.508 63.100 -0.031 0.000 0.880 901 P CB 0.189 31.878 31.700 -0.018 0.000 0.790 902 G N -0.785 107.998 108.800 -0.027 0.000 2.422 902 G HA2 -0.157 3.803 3.960 0.001 0.000 0.218 902 G HA3 -0.157 3.803 3.960 0.001 0.000 0.218 902 G C 0.399 175.280 174.900 -0.032 0.000 1.146 902 G CA 0.168 45.253 45.100 -0.026 0.000 0.769 902 G HN 0.183 nan 8.290 nan 0.000 0.547 903 V N 0.304 120.196 119.914 -0.036 0.000 2.992 903 V HA -0.051 4.069 4.120 0.001 0.000 0.294 903 V C 0.878 176.945 176.094 -0.046 0.000 1.254 903 V CA 0.570 62.846 62.300 -0.041 0.000 1.359 903 V CB 0.419 32.213 31.823 -0.050 0.000 0.914 903 V HN 0.405 nan 8.190 nan 0.000 0.519 904 R N 3.216 123.692 120.500 -0.041 0.000 2.287 904 R HA 0.515 4.856 4.340 0.001 0.000 0.316 904 R C -0.650 175.622 176.300 -0.047 0.000 1.050 904 R CA -0.472 55.603 56.100 -0.042 0.000 0.983 904 R CB 1.158 31.440 30.300 -0.031 0.000 1.140 904 R HN 0.751 nan 8.270 nan 0.000 0.528 905 V N 1.665 121.543 119.914 -0.059 0.000 2.567 905 V HA 0.627 4.748 4.120 0.001 0.000 0.289 905 V C 0.349 176.410 176.094 -0.054 0.000 1.049 905 V CA 0.037 62.296 62.300 -0.069 0.000 0.969 905 V CB 1.653 33.417 31.823 -0.098 0.000 0.995 905 V HN 0.861 nan 8.190 nan 0.000 0.471 906 S N 3.247 118.918 115.700 -0.049 0.000 3.576 906 S HA 0.537 5.007 4.470 0.001 0.000 0.179 906 S C 1.548 176.131 174.600 -0.028 0.000 0.977 906 S CA 0.291 58.472 58.200 -0.031 0.000 1.189 906 S CB -0.140 63.047 63.200 -0.022 0.000 1.443 906 S HN 1.441 nan 8.310 nan 0.000 0.874 907 G N 1.328 110.115 108.800 -0.022 0.000 2.911 907 G HA2 -0.118 3.843 3.960 0.001 0.000 0.193 907 G HA3 -0.118 3.843 3.960 0.001 0.000 0.193 907 G C 0.577 175.462 174.900 -0.025 0.000 1.364 907 G CA 1.172 46.261 45.100 -0.017 0.000 0.798 907 G HN 0.722 nan 8.290 nan 0.000 0.749 908 E N 0.786 120.968 120.200 -0.030 0.000 2.538 908 E HA 0.147 4.498 4.350 0.001 0.000 0.207 908 E C -0.508 176.041 176.600 -0.086 0.000 1.002 908 E CA -0.215 56.159 56.400 -0.042 0.000 0.952 908 E CB 0.292 29.986 29.700 -0.011 0.000 1.031 908 E HN 0.521 nan 8.360 nan 0.000 0.476 909 D N 0.915 121.259 120.400 -0.093 0.000 2.560 909 D HA -0.117 4.523 4.640 0.001 0.000 0.226 909 D C 0.097 176.259 176.300 -0.230 0.000 1.222 909 D CA 0.424 54.341 54.000 -0.138 0.000 0.880 909 D CB 0.562 41.292 40.800 -0.116 0.000 1.234 909 D HN -0.200 nan 8.370 nan 0.000 0.515 910 V N 1.101 120.818 119.914 -0.329 0.000 2.785 910 V HA 0.218 4.338 4.120 0.001 0.000 0.300 910 V C 1.222 177.118 176.094 -0.331 0.000 1.062 910 V CA -0.309 61.740 62.300 -0.419 0.000 1.029 910 V CB 1.343 32.718 31.823 -0.747 0.000 1.024 910 V HN 0.530 nan 8.190 nan 0.000 0.477 911 I N 2.235 122.606 120.570 -0.332 0.000 4.439 911 I HA 0.387 4.557 4.170 0.001 0.000 0.331 911 I C -0.173 175.801 176.117 -0.238 0.000 1.345 911 I CA 0.589 61.709 61.300 -0.299 0.000 1.193 911 I CB 0.635 38.378 38.000 -0.428 0.000 1.221 911 I HN 0.385 nan 8.210 nan 0.000 0.429 912 I N 0.591 121.037 120.570 -0.207 0.000 2.649 912 I HA 0.325 4.496 4.170 0.001 0.000 0.289 912 I C -0.308 175.799 176.117 -0.017 0.000 1.222 912 I CA -0.543 60.683 61.300 -0.124 0.000 1.046 912 I CB 2.233 40.183 38.000 -0.082 0.000 1.272 912 I HN -0.079 nan 8.210 nan 0.000 0.425 913 G N 5.481 114.322 108.800 0.068 0.000 2.377 913 G HA2 0.543 4.503 3.960 0.001 0.000 0.316 913 G HA3 0.543 4.503 3.960 0.001 0.000 0.316 913 G C -0.925 174.173 174.900 0.331 0.000 1.115 913 G CA -0.296 44.917 45.100 0.189 0.000 0.952 913 G HN 0.539 nan 8.290 nan 0.000 0.441 914 K N 1.329 121.882 120.400 0.254 0.000 2.469 914 K HA 0.743 5.063 4.320 0.001 0.000 0.254 914 K C -0.688 175.962 176.600 0.085 0.000 0.939 914 K CA -0.629 55.761 56.287 0.172 0.000 0.812 914 K CB 2.150 34.736 32.500 0.143 0.000 1.301 914 K HN 0.564 nan 8.250 nan 0.000 0.433 915 T N -1.069 113.495 114.554 0.016 0.000 2.896 915 T HA 0.518 4.868 4.350 0.001 0.000 0.297 915 T C -0.894 173.798 174.700 -0.014 0.000 1.108 915 T CA -0.745 61.361 62.100 0.010 0.000 1.004 915 T CB 1.810 70.684 68.868 0.010 0.000 1.159 915 T HN 0.369 nan 8.240 nan 0.000 0.499 916 T N 3.635 118.184 114.554 -0.009 0.000 2.937 916 T HA 0.590 4.940 4.350 0.001 0.000 0.297 916 T C -2.927 171.750 174.700 -0.038 0.000 0.991 916 T CA -1.059 61.029 62.100 -0.019 0.000 0.990 916 T CB 1.870 70.738 68.868 0.001 0.000 0.991 916 T HN 0.591 nan 8.240 nan 0.000 0.440 917 P HA 0.593 nan 4.420 nan 0.000 0.292 917 P C -1.032 176.214 177.300 -0.090 0.000 1.287 917 P CA -0.506 62.555 63.100 -0.064 0.000 0.800 917 P CB 1.102 32.764 31.700 -0.062 0.000 0.945 918 I N 2.257 122.785 120.570 -0.070 0.000 2.548 918 I HA 0.211 4.382 4.170 0.001 0.000 0.287 918 I C 0.398 176.483 176.117 -0.054 0.000 1.103 918 I CA -0.368 60.888 61.300 -0.073 0.000 1.049 918 I CB 2.310 40.275 38.000 -0.059 0.000 1.232 918 I HN 0.394 nan 8.210 nan 0.000 0.429 934 K N 2.654 123.035 120.400 -0.032 0.000 2.473 934 K HA 0.440 4.760 4.320 0.001 0.000 0.246 934 K C -0.887 175.696 176.600 -0.030 0.000 1.011 934 K CA -0.367 55.901 56.287 -0.032 0.000 0.984 934 K CB 1.143 33.619 32.500 -0.039 0.000 1.250 934 K HN 0.277 nan 8.250 nan 0.000 0.454 935 R N 2.000 122.488 120.500 -0.020 0.000 2.255 935 R HA 0.180 4.520 4.340 0.001 0.000 0.326 935 R C -0.226 176.077 176.300 0.005 0.000 0.986 935 R CA -0.856 55.237 56.100 -0.011 0.000 0.847 935 R CB 1.160 31.455 30.300 -0.009 0.000 1.111 935 R HN 0.514 nan 8.270 nan 0.000 0.452 936 D N 2.092 122.502 120.400 0.016 0.000 2.362 936 D HA 0.073 4.714 4.640 0.001 0.000 0.238 936 D C -0.054 176.280 176.300 0.057 0.000 1.212 936 D CA 0.389 54.420 54.000 0.052 0.000 0.902 936 D CB 1.024 41.872 40.800 0.080 0.000 1.180 936 D HN 0.670 nan 8.370 nan 0.000 0.445 937 A N 1.495 124.362 122.820 0.077 0.000 2.474 937 A HA 0.158 4.478 4.320 0.001 0.000 0.249 937 A C -0.032 177.603 177.584 0.086 0.000 0.891 937 A CA -0.384 51.694 52.037 0.069 0.000 1.135 937 A CB -0.048 18.983 19.000 0.051 0.000 1.191 937 A HN 0.299 nan 8.150 nan 0.000 0.471 938 S N 1.561 117.321 115.700 0.100 0.000 2.564 938 S HA 0.418 4.888 4.470 0.001 0.000 0.278 938 S C 0.333 174.933 174.600 0.001 0.000 1.333 938 S CA 0.299 58.539 58.200 0.068 0.000 1.048 938 S CB 0.736 63.983 63.200 0.080 0.000 0.900 938 S HN 0.440 nan 8.310 nan 0.000 0.505 939 T N 5.822 120.349 114.554 -0.045 0.000 2.733 939 T HA 0.418 4.768 4.350 0.001 0.000 0.294 939 T C -2.294 172.283 174.700 -0.205 0.000 0.956 939 T CA -1.225 60.825 62.100 -0.083 0.000 0.987 939 T CB 0.974 69.807 68.868 -0.059 0.000 0.920 939 T HN 0.402 nan 8.240 nan 0.000 0.470 940 P HA 0.388 nan 4.420 nan 0.000 0.281 940 P C -0.393 176.726 177.300 -0.302 0.000 1.264 940 P CA -0.901 62.065 63.100 -0.223 0.000 0.824 940 P CB 1.044 32.676 31.700 -0.114 0.000 1.092 941 L N 1.674 122.714 121.223 -0.304 0.000 2.464 941 L HA 0.192 4.533 4.340 0.001 0.000 0.264 941 L C 0.904 177.770 176.870 -0.008 0.000 1.199 941 L CA -0.108 54.568 54.840 -0.275 0.000 0.818 941 L CB -0.136 41.818 42.059 -0.175 0.000 1.102 941 L HN 0.269 nan 8.230 nan 0.000 0.473 942 R N 2.459 123.073 120.500 0.188 0.000 2.413 942 R HA -0.006 4.334 4.340 0.001 0.000 0.333 942 R C 1.566 177.907 176.300 0.068 0.000 1.074 942 R CA 0.714 56.901 56.100 0.145 0.000 0.982 942 R CB -0.045 30.354 30.300 0.166 0.000 0.981 942 R HN 1.028 nan 8.270 nan 0.000 0.452 943 S N 1.794 117.515 115.700 0.035 0.000 2.642 943 S HA -0.373 4.097 4.470 0.001 0.000 0.330 943 S C 1.789 176.399 174.600 0.016 0.000 1.309 943 S CA 2.624 60.833 58.200 0.015 0.000 1.141 943 S CB -0.932 62.271 63.200 0.005 0.000 1.210 943 S HN 0.748 nan 8.310 nan 0.000 0.440 944 T N -0.319 114.249 114.554 0.024 0.000 2.814 944 T HA 0.205 4.555 4.350 0.001 0.000 0.254 944 T C 0.960 175.684 174.700 0.039 0.000 1.037 944 T CA 0.574 62.689 62.100 0.026 0.000 1.143 944 T CB -0.672 68.209 68.868 0.023 0.000 0.866 944 T HN 0.658 nan 8.240 nan 0.000 0.431 945 E N 2.619 122.857 120.200 0.062 0.000 2.478 945 E HA 0.224 4.574 4.350 0.001 0.000 0.262 945 E C 0.070 176.695 176.600 0.042 0.000 1.243 945 E CA 0.364 56.809 56.400 0.075 0.000 1.039 945 E CB 0.158 29.922 29.700 0.107 0.000 0.983 945 E HN 0.704 nan 8.360 nan 0.000 0.479 946 N N -1.001 117.717 118.700 0.030 0.000 3.521 946 N HA 0.431 5.172 4.740 0.001 0.000 0.228 946 N C -0.556 174.945 175.510 -0.015 0.000 1.328 946 N CA -0.078 52.972 53.050 0.002 0.000 0.907 946 N CB 1.075 39.563 38.487 0.002 0.000 1.487 946 N HN 0.636 nan 8.380 nan 0.000 0.503 947 G N -0.204 108.575 108.800 -0.034 0.000 2.441 947 G HA2 0.286 4.247 3.960 0.001 0.000 0.222 947 G HA3 0.286 4.247 3.960 0.001 0.000 0.222 947 G C -1.904 172.957 174.900 -0.065 0.000 1.254 947 G CA -0.552 44.515 45.100 -0.054 0.000 0.959 947 G HN 0.635 nan 8.290 nan 0.000 0.474 948 I N 0.944 121.460 120.570 -0.090 0.000 2.509 948 I HA 0.478 4.649 4.170 0.001 0.000 0.293 948 I C 0.641 176.698 176.117 -0.099 0.000 1.020 948 I CA -1.159 60.091 61.300 -0.083 0.000 1.088 948 I CB 1.973 39.928 38.000 -0.074 0.000 1.267 948 I HN 0.331 nan 8.210 nan 0.000 0.430 949 V N 3.884 123.751 119.914 -0.078 0.000 3.178 949 V HA -0.084 4.036 4.120 0.001 0.000 0.306 949 V C 0.554 176.606 176.094 -0.071 0.000 1.107 949 V CA 0.744 63.002 62.300 -0.071 0.000 1.195 949 V CB 0.911 32.696 31.823 -0.063 0.000 0.993 949 V HN 0.983 nan 8.190 nan 0.000 0.493 950 D N -0.199 120.168 120.400 -0.054 0.000 2.449 950 D HA 0.152 4.793 4.640 0.001 0.000 0.255 950 D C 0.164 176.476 176.300 0.021 0.000 1.121 950 D CA 0.065 54.047 54.000 -0.032 0.000 0.830 950 D CB 0.554 41.309 40.800 -0.076 0.000 1.280 950 D HN 0.590 nan 8.370 nan 0.000 0.522 951 Q N 0.750 120.558 119.800 0.014 0.000 3.155 951 Q HA 0.156 4.496 4.340 0.001 0.000 0.186 951 Q C -2.083 173.919 176.000 0.003 0.000 0.949 951 Q CA -0.339 55.475 55.803 0.019 0.000 1.252 951 Q CB 0.523 29.293 28.738 0.053 0.000 1.715 951 Q HN -0.022 nan 8.270 nan 0.000 0.608 952 V N 4.143 124.045 119.914 -0.021 0.000 3.096 952 V HA 0.768 4.889 4.120 0.001 0.000 0.319 952 V C -0.023 176.048 176.094 -0.038 0.000 1.082 952 V CA -0.681 61.591 62.300 -0.047 0.000 1.022 952 V CB 1.835 33.612 31.823 -0.077 0.000 1.103 952 V HN 0.709 nan 8.190 nan 0.000 0.455 953 L N 0.573 121.763 121.223 -0.055 0.000 2.588 953 L HA 0.758 5.098 4.340 0.001 0.000 0.263 953 L C -1.569 175.280 176.870 -0.036 0.000 0.935 953 L CA -0.582 54.243 54.840 -0.025 0.000 0.891 953 L CB 1.878 43.943 42.059 0.010 0.000 1.318 953 L HN 0.343 nan 8.230 nan 0.000 0.409 954 V N 2.689 122.595 119.914 -0.012 0.000 2.472 954 V HA 0.798 4.919 4.120 0.001 0.000 0.290 954 V C 0.312 176.459 176.094 0.088 0.000 1.037 954 V CA 0.129 62.434 62.300 0.010 0.000 0.908 954 V CB 1.582 33.405 31.823 -0.001 0.000 0.985 954 V HN 1.009 nan 8.190 nan 0.000 0.454 955 T N 2.047 116.701 114.554 0.166 0.000 2.754 955 T HA 0.474 4.825 4.350 0.001 0.000 0.296 955 T C -0.528 174.317 174.700 0.241 0.000 1.205 955 T CA -0.571 61.656 62.100 0.211 0.000 1.009 955 T CB 2.116 71.150 68.868 0.276 0.000 1.368 955 T HN 0.604 nan 8.240 nan 0.000 0.509 956 T N 2.346 117.003 114.554 0.172 0.000 2.888 956 T HA 0.627 4.978 4.350 0.001 0.000 0.284 956 T C -0.520 174.208 174.700 0.046 0.000 1.017 956 T CA -0.717 61.459 62.100 0.126 0.000 1.022 956 T CB 1.121 70.040 68.868 0.084 0.000 1.013 956 T HN 0.558 nan 8.240 nan 0.000 0.465 957 N N 1.205 119.914 118.700 0.015 0.000 2.342 957 N HA 0.219 4.960 4.740 0.001 0.000 0.293 957 N C 1.201 176.677 175.510 -0.057 0.000 1.026 957 N CA -0.443 52.551 53.050 -0.095 0.000 0.857 957 N CB 0.994 39.401 38.487 -0.134 0.000 1.256 957 N HN 0.635 nan 8.380 nan 0.000 0.484 958 Q N 1.260 121.013 119.800 -0.078 0.000 2.377 958 Q HA -0.340 4.000 4.340 0.001 0.000 0.225 958 Q C -0.028 175.952 176.000 -0.034 0.000 1.097 958 Q CA 2.645 58.412 55.803 -0.059 0.000 0.985 958 Q CB -0.459 28.246 28.738 -0.055 0.000 1.071 958 Q HN 0.757 nan 8.270 nan 0.000 0.505 959 D N -0.976 119.409 120.400 -0.024 0.000 2.390 959 D HA 0.024 4.664 4.640 0.001 0.000 0.235 959 D C 1.012 177.314 176.300 0.004 0.000 1.040 959 D CA 1.108 55.102 54.000 -0.009 0.000 0.923 959 D CB -0.032 40.762 40.800 -0.010 0.000 0.886 959 D HN 0.622 nan 8.370 nan 0.000 0.532 960 G N 1.000 109.806 108.800 0.009 0.000 2.147 960 G HA2 -0.288 3.672 3.960 0.001 0.000 0.244 960 G HA3 -0.288 3.672 3.960 0.001 0.000 0.244 960 G C 0.200 175.128 174.900 0.048 0.000 1.005 960 G CA -0.124 44.993 45.100 0.028 0.000 0.713 960 G HN 0.323 nan 8.290 nan 0.000 0.515 961 L N -0.124 121.133 121.223 0.056 0.000 2.312 961 L HA 0.429 4.769 4.340 0.001 0.000 0.281 961 L C 0.978 177.940 176.870 0.154 0.000 1.070 961 L CA -0.828 54.061 54.840 0.081 0.000 0.805 961 L CB 1.020 43.122 42.059 0.071 0.000 1.174 961 L HN -0.016 nan 8.230 nan 0.000 0.434 962 K N 2.798 123.302 120.400 0.175 0.000 2.402 962 K HA 0.128 4.448 4.320 0.001 0.000 0.285 962 K C -0.887 175.972 176.600 0.431 0.000 1.054 962 K CA 0.179 56.645 56.287 0.299 0.000 1.001 962 K CB 0.315 33.045 32.500 0.383 0.000 0.946 962 K HN 0.281 nan 8.250 nan 0.000 0.473 963 F N 4.528 124.599 119.950 0.201 0.000 2.402 963 F HA 0.330 4.857 4.527 0.001 0.000 0.355 963 F C -0.864 175.014 175.800 0.130 0.000 1.123 963 F CA -0.790 57.312 58.000 0.172 0.000 1.021 963 F CB 0.893 39.955 39.000 0.104 0.000 1.160 963 F HN 0.084 nan 8.300 nan 0.000 0.451 964 V N 6.135 125.830 119.914 -0.365 0.000 2.735 964 V HA 0.492 4.612 4.120 0.001 0.000 0.310 964 V C -0.839 174.953 176.094 -0.503 0.000 1.061 964 V CA -1.024 61.037 62.300 -0.398 0.000 0.913 964 V CB 2.270 33.850 31.823 -0.404 0.000 1.005 964 V HN 0.632 nan 8.190 nan 0.000 0.428 965 K N 2.959 123.156 120.400 -0.338 0.000 2.426 965 K HA 0.738 5.059 4.320 0.001 0.000 0.254 965 K C -1.548 174.988 176.600 -0.106 0.000 0.936 965 K CA -0.604 55.551 56.287 -0.219 0.000 0.801 965 K CB 2.481 34.887 32.500 -0.157 0.000 1.139 965 K HN 0.445 nan 8.250 nan 0.000 0.424 966 V N 2.841 122.726 119.914 -0.048 0.000 2.513 966 V HA 0.480 4.601 4.120 0.001 0.000 0.299 966 V C -0.258 175.873 176.094 0.063 0.000 1.035 966 V CA -0.942 61.353 62.300 -0.008 0.000 0.889 966 V CB 1.623 33.432 31.823 -0.024 0.000 0.988 966 V HN 0.685 nan 8.190 nan 0.000 0.440 967 R N 2.990 123.518 120.500 0.045 0.000 2.480 967 R HA 0.756 5.096 4.340 0.001 0.000 0.306 967 R C -1.782 174.522 176.300 0.007 0.000 0.958 967 R CA -0.388 55.744 56.100 0.053 0.000 0.861 967 R CB 1.964 32.326 30.300 0.104 0.000 1.171 967 R HN 0.567 nan 8.270 nan 0.000 0.445 968 V N 4.852 124.740 119.914 -0.043 0.000 2.483 968 V HA 0.505 4.625 4.120 0.001 0.000 0.295 968 V C -0.033 175.852 176.094 -0.349 0.000 1.035 968 V CA -0.761 61.459 62.300 -0.134 0.000 0.896 968 V CB 1.615 33.407 31.823 -0.051 0.000 0.986 968 V HN 0.685 nan 8.190 nan 0.000 0.447 969 R N 2.593 122.838 120.500 -0.424 0.000 2.589 969 R HA 0.751 5.091 4.340 0.001 0.000 0.293 969 R C -1.162 174.908 176.300 -0.383 0.000 0.963 969 R CA -0.164 55.521 56.100 -0.692 0.000 0.905 969 R CB 2.048 31.798 30.300 -0.918 0.000 1.144 969 R HN 0.816 nan 8.270 nan 0.000 0.459 970 T N 1.387 115.756 114.554 -0.308 0.000 2.900 970 T HA 0.317 4.668 4.350 0.001 0.000 0.303 970 T C -1.019 173.694 174.700 0.022 0.000 1.142 970 T CA -0.508 61.538 62.100 -0.091 0.000 1.007 970 T CB 1.958 70.824 68.868 -0.005 0.000 1.156 970 T HN 0.452 nan 8.240 nan 0.000 0.490 971 T N 2.805 117.387 114.554 0.046 0.000 2.770 971 T HA 0.449 4.800 4.350 0.001 0.000 0.283 971 T C -0.382 174.322 174.700 0.007 0.000 0.988 971 T CA -0.668 61.468 62.100 0.059 0.000 0.957 971 T CB 0.676 69.597 68.868 0.088 0.000 0.930 971 T HN 0.322 nan 8.240 nan 0.000 0.443 972 K N 3.325 123.712 120.400 -0.022 0.000 2.235 972 K HA 0.552 4.873 4.320 0.001 0.000 0.266 972 K C -0.426 176.114 176.600 -0.100 0.000 0.980 972 K CA -0.566 55.698 56.287 -0.039 0.000 0.849 972 K CB 1.545 34.029 32.500 -0.026 0.000 1.098 972 K HN 0.512 nan 8.250 nan 0.000 0.445 973 I N 4.919 125.444 120.570 -0.074 0.000 2.392 973 I HA 0.249 4.419 4.170 0.001 0.000 0.295 973 I C -1.892 174.208 176.117 -0.028 0.000 0.985 973 I CA -2.573 58.684 61.300 -0.072 0.000 1.221 973 I CB 1.482 39.450 38.000 -0.054 0.000 1.366 973 I HN 0.380 nan 8.210 nan 0.000 0.467 974 P HA 0.020 nan 4.420 nan 0.000 0.262 974 P C -0.938 176.384 177.300 0.038 0.000 1.199 974 P CA 0.263 63.414 63.100 0.085 0.000 0.763 974 P CB 1.167 33.007 31.700 0.233 0.000 0.790 975 Q N 2.516 122.311 119.800 -0.009 0.000 2.934 975 Q HA 0.371 4.712 4.340 0.001 0.000 0.219 975 Q C 1.322 177.305 176.000 -0.027 0.000 1.024 975 Q CA -0.846 54.944 55.803 -0.023 0.000 0.928 975 Q CB 1.152 29.864 28.738 -0.043 0.000 1.594 975 Q HN 0.235 nan 8.270 nan 0.000 0.485 976 I N -0.198 120.351 120.570 -0.035 0.000 2.333 976 I HA -0.039 4.131 4.170 0.001 0.000 0.246 976 I C 1.801 177.883 176.117 -0.059 0.000 1.106 976 I CA 1.175 62.456 61.300 -0.033 0.000 1.411 976 I CB -0.324 37.661 38.000 -0.024 0.000 1.082 976 I HN 0.834 nan 8.210 nan 0.000 0.420 977 G N 0.209 108.963 108.800 -0.077 0.000 2.484 977 G HA2 -0.126 3.834 3.960 0.001 0.000 0.218 977 G HA3 -0.126 3.834 3.960 0.001 0.000 0.218 977 G C 0.249 175.051 174.900 -0.163 0.000 1.130 977 G CA 0.015 45.055 45.100 -0.101 0.000 0.784 977 G HN 0.281 nan 8.290 nan 0.000 0.543 978 D N 0.223 120.495 120.400 -0.215 0.000 2.548 978 D HA 0.223 4.863 4.640 0.001 0.000 0.231 978 D C 0.505 176.462 176.300 -0.570 0.000 1.142 978 D CA 0.617 54.388 54.000 -0.381 0.000 0.866 978 D CB 0.881 41.429 40.800 -0.420 0.000 1.190 978 D HN 0.175 nan 8.370 nan 0.000 0.469 979 K N 1.242 121.265 120.400 -0.629 0.000 2.098 979 K HA 0.613 4.933 4.320 0.001 0.000 0.258 979 K C -1.105 174.945 176.600 -0.916 0.000 0.973 979 K CA -0.478 55.478 56.287 -0.552 0.000 0.898 979 K CB 0.699 33.046 32.500 -0.254 0.000 1.057 979 K HN 0.379 nan 8.250 nan 0.000 0.447 980 F N 0.270 120.149 119.950 -0.118 0.000 2.668 980 F HA 0.631 5.158 4.527 0.001 0.000 0.309 980 F C -0.777 175.041 175.800 0.029 0.000 1.117 980 F CA -0.972 56.947 58.000 -0.135 0.000 0.951 980 F CB 2.515 41.343 39.000 -0.285 0.000 1.323 980 F HN 0.624 nan 8.300 nan 0.000 0.451 981 A N 0.901 123.955 122.820 0.390 0.000 2.594 981 A HA 0.659 4.979 4.320 0.001 0.000 0.296 981 A C -0.685 177.042 177.584 0.238 0.000 1.061 981 A CA -0.325 51.923 52.037 0.352 0.000 0.689 981 A CB 1.255 20.356 19.000 0.169 0.000 1.280 981 A HN 0.904 nan 8.150 nan 0.000 0.406 982 S N 0.780 116.479 115.700 -0.001 0.000 2.546 982 S HA 0.490 4.961 4.470 0.001 0.000 0.265 982 S C 0.447 174.936 174.600 -0.185 0.000 1.190 982 S CA -0.175 57.767 58.200 -0.430 0.000 1.014 982 S CB 0.280 63.307 63.200 -0.288 0.000 1.087 982 S HN 0.654 nan 8.310 nan 0.000 0.525 983 R N 0.129 120.458 120.500 -0.285 0.000 2.694 983 R HA 0.325 4.665 4.340 0.001 0.000 0.334 983 R C -0.257 175.711 176.300 -0.554 0.000 1.143 983 R CA -0.102 55.775 56.100 -0.371 0.000 1.073 983 R CB -0.052 30.014 30.300 -0.391 0.000 1.366 983 R HN 0.591 nan 8.270 nan 0.000 0.577 984 H N -0.774 118.308 119.070 0.021 0.000 2.767 984 H HA 0.182 4.738 4.556 0.001 0.000 0.235 984 H C 0.583 175.931 175.328 0.033 0.000 1.256 984 H CA -0.050 56.021 56.048 0.039 0.000 0.957 984 H CB 1.189 31.010 29.762 0.099 0.000 2.117 984 H HN 0.406 nan 8.280 nan 0.000 0.602 985 G N 2.251 111.125 108.800 0.122 0.000 2.366 985 G HA2 -0.329 3.631 3.960 0.001 0.000 0.299 985 G HA3 -0.329 3.631 3.960 0.001 0.000 0.299 985 G C 0.482 175.472 174.900 0.149 0.000 1.020 985 G CA 0.464 45.659 45.100 0.158 0.000 1.026 985 G HN 0.373 nan 8.290 nan 0.000 0.512 986 Q N 0.021 119.919 119.800 0.163 0.000 2.341 986 Q HA 0.287 4.627 4.340 0.001 0.000 0.325 986 Q C 1.167 177.277 176.000 0.185 0.000 0.920 986 Q CA -0.206 55.692 55.803 0.158 0.000 1.065 986 Q CB -0.065 28.789 28.738 0.194 0.000 1.218 986 Q HN 0.799 nan 8.270 nan 0.000 0.434 987 K N -1.243 119.248 120.400 0.153 0.000 2.469 987 K HA 0.464 4.785 4.320 0.001 0.000 0.274 987 K C 0.111 176.774 176.600 0.105 0.000 0.983 987 K CA 0.315 56.679 56.287 0.128 0.000 0.974 987 K CB 0.530 33.081 32.500 0.084 0.000 0.913 987 K HN 0.188 nan 8.250 nan 0.000 0.493 988 G N 0.920 109.774 108.800 0.089 0.000 2.596 988 G HA2 0.333 4.293 3.960 0.001 0.000 0.296 988 G HA3 0.333 4.293 3.960 0.001 0.000 0.296 988 G C -1.043 173.872 174.900 0.025 0.000 1.513 988 G CA -0.563 44.570 45.100 0.056 0.000 0.851 988 G HN 0.821 nan 8.290 nan 0.000 0.548 989 T N -1.047 113.497 114.554 -0.016 0.000 2.948 989 T HA 0.766 5.117 4.350 0.001 0.000 0.285 989 T C 0.649 175.344 174.700 -0.008 0.000 1.019 989 T CA -0.789 61.272 62.100 -0.065 0.000 1.013 989 T CB 1.172 69.975 68.868 -0.107 0.000 1.117 989 T HN 0.517 nan 8.240 nan 0.000 0.533 990 I N 0.888 121.449 120.570 -0.014 0.000 2.779 990 I HA 0.389 4.559 4.170 0.001 0.000 0.285 990 I C 1.535 177.667 176.117 0.025 0.000 1.134 990 I CA -0.026 61.298 61.300 0.039 0.000 1.398 990 I CB 0.869 38.902 38.000 0.054 0.000 1.404 990 I HN 1.005 nan 8.210 nan 0.000 0.587 991 G N 5.181 114.020 108.800 0.064 0.000 2.780 991 G HA2 0.324 4.285 3.960 0.001 0.000 0.198 991 G HA3 0.324 4.285 3.960 0.001 0.000 0.198 991 G C 0.086 175.060 174.900 0.123 0.000 1.067 991 G CA 0.234 45.387 45.100 0.090 0.000 0.765 991 G HN 0.503 nan 8.290 nan 0.000 0.581 992 I N 0.726 121.345 120.570 0.081 0.000 3.066 992 I HA 0.490 4.661 4.170 0.001 0.000 0.307 992 I C -1.349 174.679 176.117 -0.148 0.000 1.366 992 I CA -0.834 60.424 61.300 -0.070 0.000 0.972 992 I CB 2.411 40.275 38.000 -0.226 0.000 1.307 992 I HN 0.141 nan 8.210 nan 0.000 0.470 993 T N 0.911 115.317 114.554 -0.245 0.000 2.856 993 T HA 0.678 5.028 4.350 0.001 0.000 0.283 993 T C -1.058 173.486 174.700 -0.260 0.000 1.008 993 T CA -0.462 61.551 62.100 -0.145 0.000 0.997 993 T CB 1.515 70.348 68.868 -0.060 0.000 0.992 993 T HN 0.491 nan 8.240 nan 0.000 0.454 994 Y N -0.044 120.264 120.300 0.012 0.000 2.698 994 Y HA 0.740 5.291 4.550 0.001 0.000 0.332 994 Y C 0.574 176.498 175.900 0.039 0.000 1.119 994 Y CA -1.555 56.561 58.100 0.027 0.000 1.109 994 Y CB 2.186 40.678 38.460 0.053 0.000 1.308 994 Y HN 0.534 nan 8.280 nan 0.000 0.499 995 R N -0.361 120.303 120.500 0.272 0.000 2.854 995 R HA 0.442 4.782 4.340 0.001 0.000 0.271 995 R C 0.638 177.021 176.300 0.138 0.000 0.994 995 R CA -1.004 55.191 56.100 0.158 0.000 0.945 995 R CB 1.636 32.009 30.300 0.121 0.000 1.194 995 R HN 0.637 nan 8.270 nan 0.000 0.476 996 R N 0.986 121.548 120.500 0.103 0.000 2.178 996 R HA -0.289 4.052 4.340 0.001 0.000 0.257 996 R C 1.173 177.546 176.300 0.122 0.000 1.163 996 R CA 2.219 58.377 56.100 0.097 0.000 0.981 996 R CB -0.212 30.126 30.300 0.063 0.000 0.878 996 R HN 0.572 nan 8.270 nan 0.000 0.454 997 E N 0.309 120.581 120.200 0.121 0.000 2.072 997 E HA -0.141 4.209 4.350 0.001 0.000 0.191 997 E C 1.324 178.042 176.600 0.198 0.000 0.985 997 E CA 1.378 57.864 56.400 0.144 0.000 0.801 997 E CB -0.119 29.653 29.700 0.119 0.000 0.750 997 E HN 0.395 nan 8.360 nan 0.000 0.452 998 D N -0.249 120.266 120.400 0.191 0.000 2.333 998 D HA 0.030 4.671 4.640 0.001 0.000 0.208 998 D C 0.385 176.704 176.300 0.032 0.000 0.984 998 D CA 0.079 54.196 54.000 0.195 0.000 0.873 998 D CB -0.035 40.915 40.800 0.251 0.000 0.935 998 D HN 0.160 nan 8.370 nan 0.000 0.521 999 M N 2.581 122.213 119.600 0.052 0.000 2.238 999 M HA 0.151 4.631 4.480 0.001 0.000 0.347 999 M C -2.387 173.871 176.300 -0.070 0.000 1.173 999 M CA -1.640 53.638 55.300 -0.037 0.000 1.147 999 M CB 0.878 33.496 32.600 0.031 0.000 1.547 999 M HN -0.250 nan 8.290 nan 0.000 0.455 1000 P HA 0.209 nan 4.420 nan 0.000 0.275 1000 P C -1.496 175.725 177.300 -0.132 0.000 1.227 1000 P CA -0.069 62.763 63.100 -0.446 0.000 0.781 1000 P CB 0.163 31.328 31.700 -0.891 0.000 0.906 1001 F N -0.946 119.019 119.950 0.026 0.000 2.603 1001 F HA 0.694 5.222 4.527 0.001 0.000 0.317 1001 F C -0.397 175.501 175.800 0.163 0.000 1.066 1001 F CA -1.459 56.598 58.000 0.095 0.000 0.941 1001 F CB 1.045 40.081 39.000 0.061 0.000 1.291 1001 F HN 0.236 nan 8.300 nan 0.000 0.472 1002 T N 1.155 115.952 114.554 0.406 0.000 2.767 1002 T HA 0.533 4.883 4.350 0.001 0.000 0.284 1002 T C 1.148 176.053 174.700 0.342 0.000 0.973 1002 T CA -0.035 62.229 62.100 0.273 0.000 0.996 1002 T CB 1.077 69.908 68.868 -0.061 0.000 0.927 1002 T HN 1.188 nan 8.240 nan 0.000 0.456 1003 A N 4.239 127.301 122.820 0.402 0.000 1.969 1003 A HA -0.199 4.121 4.320 0.001 0.000 0.223 1003 A C 2.180 179.815 177.584 0.086 0.000 1.218 1003 A CA 2.166 54.326 52.037 0.205 0.000 0.667 1003 A CB -0.888 18.251 19.000 0.232 0.000 0.826 1003 A HN 0.930 nan 8.150 nan 0.000 0.472 1004 E N -1.942 118.315 120.200 0.096 0.000 2.187 1004 E HA -0.167 4.183 4.350 0.001 0.000 0.199 1004 E C 1.680 178.286 176.600 0.009 0.000 1.004 1004 E CA 1.530 57.965 56.400 0.058 0.000 0.813 1004 E CB -0.378 29.362 29.700 0.068 0.000 0.736 1004 E HN 0.964 nan 8.360 nan 0.000 0.468 1005 G N 0.206 109.010 108.800 0.006 0.000 2.391 1005 G HA2 -0.249 3.712 3.960 0.001 0.000 0.204 1005 G HA3 -0.249 3.712 3.960 0.001 0.000 0.204 1005 G C 0.553 175.453 174.900 0.001 0.000 1.012 1005 G CA 0.041 45.114 45.100 -0.045 0.000 0.651 1005 G HN 0.248 nan 8.290 nan 0.000 0.494 1006 I N 0.703 121.270 120.570 -0.005 0.000 3.003 1006 I HA 0.472 4.642 4.170 0.001 0.000 0.294 1006 I C 0.691 176.901 176.117 0.154 0.000 1.237 1006 I CA -0.297 61.012 61.300 0.015 0.000 1.417 1006 I CB 0.646 38.557 38.000 -0.149 0.000 1.340 1006 I HN 0.168 nan 8.210 nan 0.000 0.594 1007 V N 4.740 124.809 119.914 0.257 0.000 3.087 1007 V HA 0.537 4.658 4.120 0.001 0.000 0.306 1007 V C -2.381 173.871 176.094 0.264 0.000 1.187 1007 V CA -1.581 60.905 62.300 0.310 0.000 0.999 1007 V CB 2.765 34.698 31.823 0.183 0.000 1.049 1007 V HN 0.810 nan 8.190 nan 0.000 0.431 1008 P HA 0.307 nan 4.420 nan 0.000 0.275 1008 P C -0.572 176.669 177.300 -0.098 0.000 1.228 1008 P CA 0.068 63.034 63.100 -0.224 0.000 0.786 1008 P CB 1.212 32.616 31.700 -0.493 0.000 0.927 1009 D N 0.562 120.904 120.400 -0.097 0.000 2.216 1009 D HA 0.058 4.699 4.640 0.001 0.000 0.208 1009 D C 0.643 176.895 176.300 -0.079 0.000 0.960 1009 D CA 1.076 55.047 54.000 -0.049 0.000 0.861 1009 D CB 0.253 41.033 40.800 -0.033 0.000 0.985 1009 D HN 0.172 nan 8.370 nan 0.000 0.493 1010 L N 0.092 121.233 121.223 -0.138 0.000 2.271 1010 L HA 0.481 4.822 4.340 0.001 0.000 0.265 1010 L C -0.499 176.275 176.870 -0.160 0.000 1.013 1010 L CA -0.780 53.961 54.840 -0.166 0.000 0.820 1010 L CB 2.047 43.956 42.059 -0.250 0.000 1.352 1010 L HN -0.120 nan 8.230 nan 0.000 0.443 1011 I N 3.141 123.646 120.570 -0.110 0.000 2.771 1011 I HA 0.228 4.399 4.170 0.001 0.000 0.268 1011 I C -0.496 175.609 176.117 -0.020 0.000 1.589 1011 I CA -0.190 61.061 61.300 -0.083 0.000 0.838 1011 I CB 0.822 38.795 38.000 -0.046 0.000 1.551 1011 I HN 0.441 nan 8.210 nan 0.000 0.545 1012 I N -0.047 120.515 120.570 -0.014 0.000 2.474 1012 I HA 0.396 4.566 4.170 0.001 0.000 0.287 1012 I C 0.376 176.506 176.117 0.021 0.000 1.048 1012 I CA -0.001 61.314 61.300 0.025 0.000 1.383 1012 I CB 1.097 39.136 38.000 0.065 0.000 1.412 1012 I HN 0.364 nan 8.210 nan 0.000 0.531 1013 N N 8.198 126.920 118.700 0.037 0.000 2.483 1013 N HA 0.112 4.853 4.740 0.001 0.000 0.264 1013 N C -1.454 174.041 175.510 -0.026 0.000 1.197 1013 N CA -1.395 51.673 53.050 0.030 0.000 0.927 1013 N CB 1.137 39.684 38.487 0.100 0.000 1.065 1013 N HN 0.531 nan 8.380 nan 0.000 0.461 1014 P HA -0.206 nan 4.420 nan 0.000 0.217 1014 P C 0.849 178.043 177.300 -0.176 0.000 1.151 1014 P CA 1.539 64.527 63.100 -0.186 0.000 0.849 1014 P CB -0.063 31.476 31.700 -0.268 0.000 0.787 1015 H N 0.268 119.320 119.070 -0.030 0.000 2.460 1015 H HA -0.022 4.534 4.556 0.001 0.000 0.297 1015 H C 1.583 176.886 175.328 -0.042 0.000 1.103 1015 H CA 1.456 57.486 56.048 -0.031 0.000 1.292 1015 H CB -0.628 29.123 29.762 -0.018 0.000 1.376 1015 H HN 0.189 nan 8.280 nan 0.000 0.531 1016 A N 0.598 123.450 122.820 0.053 0.000 2.412 1016 A HA 0.123 4.444 4.320 0.001 0.000 0.253 1016 A C 1.622 179.169 177.584 -0.062 0.000 1.334 1016 A CA 0.067 52.105 52.037 0.002 0.000 0.929 1016 A CB -0.350 18.651 19.000 0.001 0.000 0.983 1016 A HN 0.129 nan 8.150 nan 0.000 0.508 1017 I N -0.747 119.778 120.570 -0.074 0.000 3.345 1017 I HA 0.093 4.263 4.170 0.001 0.000 0.258 1017 I C -0.763 175.306 176.117 -0.079 0.000 1.134 1017 I CA -0.121 61.109 61.300 -0.116 0.000 1.457 1017 I CB -1.844 36.061 38.000 -0.158 0.000 1.425 1017 I HN 0.033 nan 8.210 nan 0.000 0.461 1018 P HA -0.209 nan 4.420 nan 0.000 0.216 1018 P C 1.934 179.216 177.300 -0.029 0.000 1.167 1018 P CA 2.921 66.000 63.100 -0.035 0.000 0.933 1018 P CB -0.099 31.595 31.700 -0.010 0.000 0.793 1019 S N -1.469 114.219 115.700 -0.020 0.000 2.402 1019 S HA -0.102 4.369 4.470 0.001 0.000 0.229 1019 S C 1.876 176.456 174.600 -0.033 0.000 1.021 1019 S CA 0.734 58.922 58.200 -0.020 0.000 0.974 1019 S CB -0.812 62.382 63.200 -0.011 0.000 0.800 1019 S HN 0.007 nan 8.310 nan 0.000 0.484 1020 R N 0.936 121.410 120.500 -0.044 0.000 2.115 1020 R HA 0.217 4.558 4.340 0.001 0.000 0.226 1020 R C 0.899 177.162 176.300 -0.062 0.000 1.100 1020 R CA 0.568 56.632 56.100 -0.060 0.000 0.980 1020 R CB -0.994 29.265 30.300 -0.068 0.000 0.875 1020 R HN 0.516 nan 8.270 nan 0.000 0.445 1021 M N 1.141 120.707 119.600 -0.056 0.000 2.249 1021 M HA -0.173 4.308 4.480 0.001 0.000 0.198 1021 M C -0.237 176.034 176.300 -0.048 0.000 0.394 1021 M CA 0.929 56.200 55.300 -0.047 0.000 0.427 1021 M CB -1.606 30.975 32.600 -0.033 0.000 1.307 1021 M HN 0.048 nan 8.290 nan 0.000 0.924 1022 T N -0.419 114.093 114.554 -0.070 0.000 2.947 1022 T HA 0.531 4.881 4.350 0.001 0.000 0.337 1022 T C 0.760 175.395 174.700 -0.107 0.000 1.139 1022 T CA -0.621 61.435 62.100 -0.074 0.000 0.992 1022 T CB 0.562 69.382 68.868 -0.078 0.000 1.043 1022 T HN 0.214 nan 8.240 nan 0.000 0.498 1023 V N 4.550 124.421 119.914 -0.072 0.000 2.599 1023 V HA 0.127 4.247 4.120 0.001 0.000 0.245 1023 V C 2.964 178.990 176.094 -0.113 0.000 1.046 1023 V CA 1.288 63.532 62.300 -0.093 0.000 1.065 1023 V CB -1.085 30.699 31.823 -0.066 0.000 0.703 1023 V HN 0.886 nan 8.190 nan 0.000 0.464 1024 A N 0.200 122.978 122.820 -0.069 0.000 1.971 1024 A HA -0.378 3.942 4.320 0.001 0.000 0.222 1024 A C 2.214 179.695 177.584 -0.171 0.000 1.182 1024 A CA 2.543 54.589 52.037 0.015 0.000 0.649 1024 A CB -1.009 18.141 19.000 0.250 0.000 0.818 1024 A HN 0.720 nan 8.150 nan 0.000 0.458 1025 H N 0.069 118.675 119.070 -0.773 0.000 2.290 1025 H HA -0.103 4.453 4.556 0.001 0.000 0.298 1025 H C 1.955 177.202 175.328 -0.135 0.000 1.087 1025 H CA 2.091 57.726 56.048 -0.690 0.000 1.291 1025 H CB -0.431 29.014 29.762 -0.529 0.000 1.369 1025 H HN 0.453 nan 8.280 nan 0.000 0.492 1026 L N 0.229 121.499 121.223 0.079 0.000 2.079 1026 L HA -0.215 4.125 4.340 0.001 0.000 0.210 1026 L C 2.909 179.873 176.870 0.157 0.000 1.081 1026 L CA 1.199 56.067 54.840 0.047 0.000 0.752 1026 L CB -0.350 41.584 42.059 -0.208 0.000 0.896 1026 L HN 0.287 nan 8.230 nan 0.000 0.433 1027 I N -0.438 120.174 120.570 0.071 0.000 2.163 1027 I HA -0.296 3.875 4.170 0.001 0.000 0.240 1027 I C 2.569 178.852 176.117 0.276 0.000 1.081 1027 I CA 1.339 62.699 61.300 0.100 0.000 1.353 1027 I CB -0.491 37.399 38.000 -0.184 0.000 1.054 1027 I HN 0.339 nan 8.210 nan 0.000 0.407 1028 E N 0.660 121.057 120.200 0.329 0.000 2.169 1028 E HA -0.360 3.990 4.350 0.001 0.000 0.202 1028 E C 2.320 179.001 176.600 0.135 0.000 1.016 1028 E CA 2.140 58.669 56.400 0.216 0.000 0.817 1028 E CB -0.194 29.576 29.700 0.117 0.000 0.736 1028 E HN 0.601 nan 8.360 nan 0.000 0.462 1029 C N -0.190 119.198 119.300 0.148 0.000 2.455 1029 C HA -0.137 4.323 4.460 0.001 0.000 0.281 1029 C C 2.621 177.655 174.990 0.074 0.000 1.237 1029 C CA 0.989 60.070 59.018 0.106 0.000 1.726 1029 C CB -1.255 26.611 27.740 0.209 0.000 2.068 1029 C HN 0.626 nan 8.230 nan 0.000 0.466 1030 L N 0.823 122.146 121.223 0.166 0.000 1.997 1030 L HA -0.127 4.213 4.340 0.001 0.000 0.216 1030 L C 2.357 179.289 176.870 0.103 0.000 1.074 1030 L CA 2.156 57.070 54.840 0.124 0.000 0.763 1030 L CB -1.168 41.015 42.059 0.207 0.000 0.890 1030 L HN 0.475 nan 8.230 nan 0.000 0.434 1031 L N -1.452 119.861 121.223 0.150 0.000 2.043 1031 L HA -0.211 4.129 4.340 0.001 0.000 0.212 1031 L C 2.457 179.372 176.870 0.076 0.000 1.075 1031 L CA 2.094 57.022 54.840 0.147 0.000 0.752 1031 L CB -0.944 41.268 42.059 0.256 0.000 0.891 1031 L HN 0.280 nan 8.230 nan 0.000 0.432 1032 S N -0.794 114.936 115.700 0.050 0.000 2.371 1032 S HA -0.158 4.313 4.470 0.001 0.000 0.224 1032 S C 1.920 176.509 174.600 -0.017 0.000 1.029 1032 S CA 1.126 59.330 58.200 0.006 0.000 0.978 1032 S CB -0.247 62.953 63.200 -0.000 0.000 0.833 1032 S HN 0.451 nan 8.310 nan 0.000 0.466 1033 K N 1.014 121.398 120.400 -0.027 0.000 2.281 1033 K HA -0.083 4.238 4.320 0.001 0.000 0.203 1033 K C 1.625 178.188 176.600 -0.063 0.000 1.046 1033 K CA 0.837 57.082 56.287 -0.071 0.000 0.938 1033 K CB -0.051 32.383 32.500 -0.110 0.000 0.737 1033 K HN 0.160 nan 8.250 nan 0.000 0.458 1034 V N 0.428 120.330 119.914 -0.020 0.000 2.284 1034 V HA -0.093 4.027 4.120 0.001 0.000 0.236 1034 V C 2.090 178.154 176.094 -0.050 0.000 1.044 1034 V CA 1.661 63.951 62.300 -0.017 0.000 1.019 1034 V CB -0.511 31.349 31.823 0.061 0.000 0.657 1034 V HN 0.418 nan 8.190 nan 0.000 0.465 1035 A N -0.080 122.736 122.820 -0.008 0.000 2.204 1035 A HA -0.163 4.158 4.320 0.001 0.000 0.220 1035 A C 2.194 179.753 177.584 -0.042 0.000 1.165 1035 A CA 2.073 54.102 52.037 -0.013 0.000 0.671 1035 A CB -0.672 18.324 19.000 -0.006 0.000 0.792 1035 A HN 0.645 nan 8.150 nan 0.000 0.473 1036 A N -0.715 122.070 122.820 -0.058 0.000 1.970 1036 A HA 0.177 4.497 4.320 0.001 0.000 0.216 1036 A C 2.039 179.574 177.584 -0.081 0.000 1.170 1036 A CA 1.215 53.214 52.037 -0.063 0.000 0.645 1036 A CB -0.292 18.670 19.000 -0.063 0.000 0.816 1036 A HN 0.475 nan 8.150 nan 0.000 0.447 1037 L N -0.213 120.925 121.223 -0.142 0.000 2.202 1037 L HA -0.034 4.307 4.340 0.001 0.000 0.205 1037 L C 2.741 179.513 176.870 -0.164 0.000 1.083 1037 L CA 1.255 55.964 54.840 -0.219 0.000 0.790 1037 L CB -0.195 41.557 42.059 -0.511 0.000 0.942 1037 L HN 0.520 nan 8.230 nan 0.000 0.452 1038 S N -0.502 115.133 115.700 -0.109 0.000 2.501 1038 S HA 0.074 4.544 4.470 0.001 0.000 0.220 1038 S C 1.655 176.268 174.600 0.023 0.000 0.997 1038 S CA 0.481 58.704 58.200 0.038 0.000 0.919 1038 S CB 0.152 63.418 63.200 0.109 0.000 0.778 1038 S HN 0.487 nan 8.310 nan 0.000 0.523 1039 G N 1.605 110.399 108.800 -0.009 0.000 2.168 1039 G HA2 -0.236 3.724 3.960 0.001 0.000 0.257 1039 G HA3 -0.236 3.724 3.960 0.001 0.000 0.257 1039 G C -0.223 174.674 174.900 -0.004 0.000 0.997 1039 G CA 0.176 45.270 45.100 -0.010 0.000 0.708 1039 G HN 0.554 nan 8.290 nan 0.000 0.520 1040 N N 0.867 119.570 118.700 0.005 0.000 2.501 1040 N HA 0.245 4.985 4.740 0.001 0.000 0.245 1040 N C 0.059 175.567 175.510 -0.003 0.000 0.974 1040 N CA -0.331 52.724 53.050 0.010 0.000 0.941 1040 N CB 1.102 39.608 38.487 0.032 0.000 1.122 1040 N HN 0.519 nan 8.380 nan 0.000 0.507 1041 E N 1.487 121.676 120.200 -0.019 0.000 2.877 1041 E HA -0.060 4.291 4.350 0.001 0.000 0.230 1041 E C 0.385 176.970 176.600 -0.025 0.000 1.126 1041 E CA -0.135 56.243 56.400 -0.037 0.000 0.946 1041 E CB 0.035 29.704 29.700 -0.052 0.000 0.965 1041 E HN 0.524 nan 8.360 nan 0.000 0.529 1042 G N 4.427 113.216 108.800 -0.018 0.000 2.313 1042 G HA2 -0.079 3.882 3.960 0.001 0.000 0.250 1042 G HA3 -0.079 3.882 3.960 0.001 0.000 0.250 1042 G C -0.313 174.579 174.900 -0.014 0.000 1.281 1042 G CA -0.425 44.680 45.100 0.008 0.000 0.917 1042 G HN 0.616 nan 8.290 nan 0.000 0.501 1043 D N 1.164 121.578 120.400 0.022 0.000 2.295 1043 D HA 0.469 5.110 4.640 0.001 0.000 0.248 1043 D C 0.720 177.035 176.300 0.024 0.000 1.154 1043 D CA -0.070 53.932 54.000 0.003 0.000 0.857 1043 D CB 1.170 41.997 40.800 0.045 0.000 1.117 1043 D HN 0.320 nan 8.370 nan 0.000 0.468 1044 A N 3.045 125.755 122.820 -0.185 0.000 2.564 1044 A HA 0.258 4.578 4.320 0.001 0.000 0.279 1044 A C 0.829 178.174 177.584 -0.399 0.000 1.232 1044 A CA -0.432 51.221 52.037 -0.640 0.000 0.950 1044 A CB -0.036 18.201 19.000 -1.273 0.000 1.138 1044 A HN 0.476 nan 8.150 nan 0.000 0.526 1045 S N 2.074 117.729 115.700 -0.076 0.000 2.537 1045 S HA 0.093 4.563 4.470 0.001 0.000 0.280 1045 S C -1.338 173.342 174.600 0.133 0.000 1.335 1045 S CA -0.301 57.917 58.200 0.031 0.000 1.025 1045 S CB 0.338 63.613 63.200 0.125 0.000 0.836 1045 S HN 0.341 nan 8.310 nan 0.000 0.523 1046 P HA -0.142 nan 4.420 nan 0.000 0.221 1046 P C -0.216 177.059 177.300 -0.041 0.000 1.082 1046 P CA 1.089 64.094 63.100 -0.158 0.000 0.951 1046 P CB -0.018 31.533 31.700 -0.248 0.000 0.583 1047 F N -0.857 119.238 119.950 0.243 0.000 2.413 1047 F HA 0.439 4.967 4.527 0.001 0.000 0.359 1047 F C 1.085 177.030 175.800 0.240 0.000 1.122 1047 F CA -0.424 57.688 58.000 0.187 0.000 1.160 1047 F CB -1.061 37.992 39.000 0.089 0.000 1.146 1047 F HN 0.056 nan 8.300 nan 0.000 0.514 1048 T N -2.100 112.692 114.554 0.397 0.000 2.626 1048 T HA 0.364 4.714 4.350 0.001 0.000 0.279 1048 T C -0.206 174.643 174.700 0.248 0.000 0.983 1048 T CA -0.874 61.431 62.100 0.341 0.000 1.059 1048 T CB 1.601 70.676 68.868 0.345 0.000 1.396 1048 T HN 0.352 nan 8.240 nan 0.000 0.519 1049 D N 0.615 121.140 120.400 0.209 0.000 2.706 1049 D HA 0.367 5.007 4.640 0.001 0.000 0.236 1049 D C 0.006 176.389 176.300 0.138 0.000 1.231 1049 D CA 0.013 54.105 54.000 0.153 0.000 0.828 1049 D CB -0.101 40.776 40.800 0.128 0.000 1.015 1049 D HN 0.439 nan 8.370 nan 0.000 0.484 1050 I N 0.184 120.847 120.570 0.155 0.000 2.664 1050 I HA 0.308 4.478 4.170 0.001 0.000 0.308 1050 I C 0.845 176.999 176.117 0.061 0.000 0.984 1050 I CA -0.415 60.957 61.300 0.119 0.000 1.213 1050 I CB 1.873 39.971 38.000 0.163 0.000 1.379 1050 I HN -0.130 nan 8.210 nan 0.000 0.501 1051 T N -0.405 114.162 114.554 0.022 0.000 2.787 1051 T HA 0.362 4.712 4.350 0.001 0.000 0.297 1051 T C 0.338 175.010 174.700 -0.045 0.000 1.221 1051 T CA -0.724 61.367 62.100 -0.016 0.000 1.006 1051 T CB 1.576 70.456 68.868 0.020 0.000 1.328 1051 T HN 0.150 nan 8.240 nan 0.000 0.509 1052 V N 0.678 120.558 119.914 -0.056 0.000 2.446 1052 V HA -0.025 4.095 4.120 0.001 0.000 0.244 1052 V C 2.712 178.813 176.094 0.011 0.000 1.039 1052 V CA 1.301 63.578 62.300 -0.039 0.000 1.045 1052 V CB -0.704 31.091 31.823 -0.047 0.000 0.681 1052 V HN 0.856 nan 8.190 nan 0.000 0.459 1053 E N 0.954 121.162 120.200 0.015 0.000 2.110 1053 E HA -0.162 4.188 4.350 0.001 0.000 0.193 1053 E C 2.312 178.933 176.600 0.034 0.000 0.988 1053 E CA 1.540 57.956 56.400 0.026 0.000 0.804 1053 E CB -0.494 29.220 29.700 0.024 0.000 0.745 1053 E HN 0.613 nan 8.360 nan 0.000 0.458 1054 G N 1.004 109.824 108.800 0.034 0.000 2.408 1054 G HA2 -0.174 3.787 3.960 0.001 0.000 0.217 1054 G HA3 -0.174 3.787 3.960 0.001 0.000 0.217 1054 G C 1.741 176.674 174.900 0.055 0.000 1.150 1054 G CA 0.283 45.410 45.100 0.044 0.000 0.776 1054 G HN 0.157 nan 8.290 nan 0.000 0.542 1055 I N 0.870 121.474 120.570 0.056 0.000 2.233 1055 I HA -0.150 4.021 4.170 0.001 0.000 0.243 1055 I C 3.013 179.182 176.117 0.086 0.000 1.093 1055 I CA 0.940 62.286 61.300 0.076 0.000 1.380 1055 I CB -0.312 37.733 38.000 0.075 0.000 1.067 1055 I HN 0.110 nan 8.210 nan 0.000 0.413 1056 S N 0.973 116.720 115.700 0.078 0.000 2.372 1056 S HA -0.278 4.192 4.470 0.001 0.000 0.227 1056 S C 1.915 176.561 174.600 0.077 0.000 1.044 1056 S CA 1.678 59.930 58.200 0.086 0.000 1.050 1056 S CB -0.332 62.911 63.200 0.072 0.000 0.901 1056 S HN 0.376 nan 8.310 nan 0.000 0.447 1057 K N 0.686 121.121 120.400 0.059 0.000 2.063 1057 K HA -0.062 4.259 4.320 0.001 0.000 0.208 1057 K C 2.066 178.696 176.600 0.051 0.000 1.048 1057 K CA 1.143 57.456 56.287 0.045 0.000 0.928 1057 K CB -0.392 32.129 32.500 0.034 0.000 0.713 1057 K HN 0.314 nan 8.250 nan 0.000 0.442 1058 L N 0.402 121.669 121.223 0.073 0.000 2.056 1058 L HA -0.183 4.158 4.340 0.001 0.000 0.207 1058 L C 2.373 179.348 176.870 0.175 0.000 1.078 1058 L CA 0.549 55.448 54.840 0.098 0.000 0.749 1058 L CB -0.293 41.836 42.059 0.118 0.000 0.901 1058 L HN 0.165 nan 8.230 nan 0.000 0.433 1059 L N -0.232 121.101 121.223 0.183 0.000 2.141 1059 L HA -0.152 4.189 4.340 0.001 0.000 0.209 1059 L C 2.634 179.624 176.870 0.201 0.000 1.094 1059 L CA 1.394 56.379 54.840 0.242 0.000 0.763 1059 L CB -0.473 41.694 42.059 0.181 0.000 0.908 1059 L HN 0.062 nan 8.230 nan 0.000 0.437 1060 R N 0.583 121.150 120.500 0.112 0.000 2.073 1060 R HA -0.151 4.190 4.340 0.001 0.000 0.234 1060 R C 2.003 178.306 176.300 0.004 0.000 1.134 1060 R CA 1.685 57.820 56.100 0.058 0.000 0.952 1060 R CB -0.602 29.719 30.300 0.034 0.000 0.850 1060 R HN 0.478 nan 8.270 nan 0.000 0.433 1061 E N -0.728 119.443 120.200 -0.048 0.000 2.501 1061 E HA -0.179 4.172 4.350 0.001 0.000 0.203 1061 E C 0.670 177.084 176.600 -0.310 0.000 1.072 1061 E CA 0.548 56.845 56.400 -0.172 0.000 0.885 1061 E CB -0.049 29.517 29.700 -0.223 0.000 0.813 1061 E HN 0.505 nan 8.360 nan 0.000 0.556 1062 H N -2.061 116.992 119.070 -0.028 0.000 2.827 1062 H HA 0.164 4.720 4.556 0.001 0.000 0.269 1062 H C 1.516 176.710 175.328 -0.224 0.000 1.031 1062 H CA 0.839 56.842 56.048 -0.075 0.000 1.202 1062 H CB 1.641 31.410 29.762 0.011 0.000 1.511 1062 H HN 0.327 nan 8.280 nan 0.000 0.517 1063 G N 0.572 109.320 108.800 -0.087 0.000 2.279 1063 G HA2 -0.265 3.696 3.960 0.001 0.000 0.223 1063 G HA3 -0.265 3.696 3.960 0.001 0.000 0.223 1063 G C -0.024 174.771 174.900 -0.174 0.000 1.015 1063 G CA -0.126 44.862 45.100 -0.187 0.000 0.621 1063 G HN 0.364 nan 8.290 nan 0.000 0.506 1064 Y N 1.569 121.900 120.300 0.051 0.000 2.326 1064 Y HA 0.486 5.037 4.550 0.001 0.000 0.333 1064 Y C 1.098 177.023 175.900 0.040 0.000 1.240 1064 Y CA -0.177 57.939 58.100 0.027 0.000 1.365 1064 Y CB 0.579 39.040 38.460 0.003 0.000 1.289 1064 Y HN 0.399 nan 8.280 nan 0.000 0.548 1065 Q N 1.340 121.271 119.800 0.218 0.000 2.380 1065 Q HA -0.148 4.192 4.340 0.001 0.000 0.338 1065 Q C 0.920 177.008 176.000 0.148 0.000 1.193 1065 Q CA 0.884 56.774 55.803 0.144 0.000 1.023 1065 Q CB 0.604 29.436 28.738 0.156 0.000 1.252 1065 Q HN 0.753 nan 8.270 nan 0.000 0.422 1066 S N 2.288 118.049 115.700 0.102 0.000 2.562 1066 S HA 0.100 4.570 4.470 0.001 0.000 0.221 1066 S C 0.560 175.244 174.600 0.140 0.000 0.975 1066 S CA 0.165 58.427 58.200 0.104 0.000 0.918 1066 S CB 0.214 63.451 63.200 0.060 0.000 0.772 1066 S HN 0.628 nan 8.310 nan 0.000 0.531 1067 R N 0.420 121.036 120.500 0.193 0.000 2.577 1067 R HA 0.421 4.762 4.340 0.001 0.000 0.344 1067 R C 1.498 178.156 176.300 0.597 0.000 1.037 1067 R CA 0.340 56.644 56.100 0.339 0.000 1.102 1067 R CB -0.231 30.218 30.300 0.249 0.000 1.313 1067 R HN 0.518 nan 8.270 nan 0.000 0.561 1068 G N 0.956 109.973 108.800 0.362 0.000 2.729 1068 G HA2 -0.323 3.638 3.960 0.001 0.000 0.216 1068 G HA3 -0.323 3.638 3.960 0.001 0.000 0.216 1068 G C 0.314 175.296 174.900 0.137 0.000 1.252 1068 G CA -0.124 45.042 45.100 0.110 0.000 0.751 1068 G HN 0.172 nan 8.290 nan 0.000 0.527 1069 F N 2.126 122.129 119.950 0.089 0.000 2.689 1069 F HA 0.402 4.929 4.527 0.001 0.000 0.312 1069 F C 1.279 177.089 175.800 0.017 0.000 1.119 1069 F CA 1.133 59.182 58.000 0.082 0.000 1.329 1069 F CB 0.108 39.172 39.000 0.106 0.000 1.024 1069 F HN 0.461 nan 8.300 nan 0.000 0.643 1070 E N -1.171 119.160 120.200 0.219 0.000 2.388 1070 E HA 0.392 4.742 4.350 0.001 0.000 0.281 1070 E C -1.745 174.907 176.600 0.087 0.000 1.046 1070 E CA -0.850 55.609 56.400 0.099 0.000 0.825 1070 E CB 2.258 31.928 29.700 -0.050 0.000 1.243 1070 E HN 0.193 nan 8.360 nan 0.000 0.438 1071 V N 1.883 121.827 119.914 0.050 0.000 2.686 1071 V HA 0.455 4.576 4.120 0.001 0.000 0.295 1071 V C 0.182 176.241 176.094 -0.059 0.000 1.057 1071 V CA -0.025 62.258 62.300 -0.029 0.000 1.012 1071 V CB 0.933 32.711 31.823 -0.075 0.000 1.006 1071 V HN 0.599 nan 8.190 nan 0.000 0.477 1072 M N 2.763 122.255 119.600 -0.181 0.000 2.550 1072 M HA 0.554 5.034 4.480 0.001 0.000 0.292 1072 M C -1.833 174.196 176.300 -0.452 0.000 1.221 1072 M CA -0.554 54.636 55.300 -0.183 0.000 0.873 1072 M CB 2.891 35.427 32.600 -0.108 0.000 1.727 1072 M HN 0.569 nan 8.290 nan 0.000 0.459 1073 Y N 0.515 120.489 120.300 -0.543 0.000 2.409 1073 Y HA 0.328 4.878 4.550 0.001 0.000 0.339 1073 Y C 0.350 175.810 175.900 -0.733 0.000 1.033 1073 Y CA -1.060 56.649 58.100 -0.652 0.000 1.094 1073 Y CB 0.841 38.829 38.460 -0.786 0.000 1.210 1073 Y HN 0.518 nan 8.280 nan 0.000 0.456 1074 N N 1.592 120.162 118.700 -0.217 0.000 2.438 1074 N HA -0.024 4.716 4.740 0.001 0.000 0.267 1074 N C 1.121 176.594 175.510 -0.061 0.000 1.222 1074 N CA 0.680 53.672 53.050 -0.095 0.000 0.930 1074 N CB 1.401 39.884 38.487 -0.007 0.000 1.083 1074 N HN 1.035 nan 8.380 nan 0.000 0.476 1075 G N 3.377 112.155 108.800 -0.036 0.000 2.475 1075 G HA2 -0.281 3.679 3.960 0.001 0.000 0.220 1075 G HA3 -0.281 3.679 3.960 0.001 0.000 0.220 1075 G C 1.107 176.140 174.900 0.222 0.000 1.125 1075 G CA 0.872 46.052 45.100 0.133 0.000 0.755 1075 G HN 0.716 nan 8.290 nan 0.000 0.565 1076 H N 0.543 119.672 119.070 0.100 0.000 2.307 1076 H HA -0.032 4.525 4.556 0.001 0.000 0.303 1076 H C 2.950 178.323 175.328 0.074 0.000 1.073 1076 H CA 1.952 58.036 56.048 0.061 0.000 1.338 1076 H CB -0.800 28.965 29.762 0.006 0.000 1.389 1076 H HN 0.517 nan 8.280 nan 0.000 0.503 1077 T N -4.113 110.563 114.554 0.202 0.000 3.033 1077 T HA 0.310 4.660 4.350 0.001 0.000 0.248 1077 T C 1.815 176.612 174.700 0.161 0.000 1.040 1077 T CA 0.834 63.023 62.100 0.148 0.000 1.133 1077 T CB 0.168 69.103 68.868 0.111 0.000 0.895 1077 T HN 0.508 nan 8.240 nan 0.000 0.465 1078 G N 1.530 110.437 108.800 0.178 0.000 2.179 1078 G HA2 -0.212 3.749 3.960 0.001 0.000 0.220 1078 G HA3 -0.212 3.749 3.960 0.001 0.000 0.220 1078 G C 0.001 175.061 174.900 0.268 0.000 0.990 1078 G CA 0.165 45.418 45.100 0.255 0.000 0.646 1078 G HN 0.826 nan 8.290 nan 0.000 0.517 1079 K N 0.870 121.373 120.400 0.173 0.000 2.149 1079 K HA 0.493 4.814 4.320 0.001 0.000 0.245 1079 K C 0.792 177.449 176.600 0.095 0.000 1.024 1079 K CA -0.284 56.092 56.287 0.149 0.000 0.899 1079 K CB 0.322 32.865 32.500 0.072 0.000 1.038 1079 K HN 0.207 nan 8.250 nan 0.000 0.496 1080 K N 1.347 121.722 120.400 -0.042 0.000 2.107 1080 K HA 0.241 4.561 4.320 0.001 0.000 0.251 1080 K C -0.439 176.023 176.600 -0.229 0.000 1.012 1080 K CA -0.504 55.554 56.287 -0.381 0.000 0.920 1080 K CB 0.559 32.822 32.500 -0.395 0.000 1.033 1080 K HN 0.410 nan 8.250 nan 0.000 0.478 1081 L N 3.468 124.529 121.223 -0.270 0.000 2.259 1081 L HA 0.121 4.461 4.340 0.001 0.000 0.288 1081 L C 1.316 178.126 176.870 -0.101 0.000 1.051 1081 L CA -0.487 54.270 54.840 -0.139 0.000 0.824 1081 L CB 0.990 42.975 42.059 -0.124 0.000 1.206 1081 L HN 0.780 nan 8.230 nan 0.000 0.429 1082 M N 3.463 123.027 119.600 -0.061 0.000 2.240 1082 M HA -0.242 4.238 4.480 0.001 0.000 0.250 1082 M C 0.898 177.184 176.300 -0.023 0.000 1.075 1082 M CA 2.005 57.283 55.300 -0.037 0.000 1.072 1082 M CB -0.127 32.464 32.600 -0.015 0.000 1.305 1082 M HN 0.657 nan 8.290 nan 0.000 0.414 1083 A N -0.721 122.095 122.820 -0.008 0.000 2.281 1083 A HA 0.624 4.944 4.320 0.001 0.000 0.329 1083 A C -0.541 177.063 177.584 0.033 0.000 1.122 1083 A CA -0.757 51.296 52.037 0.026 0.000 0.850 1083 A CB 0.583 19.608 19.000 0.041 0.000 1.207 1083 A HN 0.474 nan 8.150 nan 0.000 0.495 1084 Q N -0.136 119.730 119.800 0.111 0.000 2.266 1084 Q HA 0.646 4.987 4.340 0.001 0.000 0.261 1084 Q C -1.058 175.040 176.000 0.162 0.000 0.985 1084 Q CA -0.251 55.645 55.803 0.153 0.000 0.873 1084 Q CB 1.413 30.298 28.738 0.246 0.000 1.306 1084 Q HN 0.567 nan 8.270 nan 0.000 0.447 1085 I N 0.804 121.418 120.570 0.074 0.000 2.664 1085 I HA 0.259 4.429 4.170 0.001 0.000 0.308 1085 I C -0.342 175.711 176.117 -0.107 0.000 0.984 1085 I CA -0.638 60.648 61.300 -0.024 0.000 1.213 1085 I CB 0.564 38.558 38.000 -0.010 0.000 1.379 1085 I HN 0.551 nan 8.210 nan 0.000 0.501 1086 F N 5.537 125.257 119.950 -0.384 0.000 2.573 1086 F HA 0.368 4.895 4.527 0.001 0.000 0.349 1086 F C -0.292 175.452 175.800 -0.094 0.000 1.213 1086 F CA -0.611 57.141 58.000 -0.412 0.000 1.300 1086 F CB -0.384 38.320 39.000 -0.493 0.000 1.661 1086 F HN 0.228 nan 8.300 nan 0.000 0.616 1087 F N 2.969 122.691 119.950 -0.382 0.000 2.399 1087 F HA 0.615 5.143 4.527 0.001 0.000 0.342 1087 F C 0.527 176.059 175.800 -0.446 0.000 1.106 1087 F CA 0.280 58.087 58.000 -0.322 0.000 1.196 1087 F CB 0.645 39.516 39.000 -0.214 0.000 1.163 1087 F HN 0.489 nan 8.300 nan 0.000 0.547 1088 G N 5.184 114.144 108.800 0.267 0.000 2.358 1088 G HA2 0.168 4.129 3.960 0.001 0.000 0.303 1088 G HA3 0.168 4.129 3.960 0.001 0.000 0.303 1088 G C -3.405 171.510 174.900 0.024 0.000 1.537 1088 G CA -1.179 43.963 45.100 0.069 0.000 0.928 1088 G HN 0.433 nan 8.290 nan 0.000 0.656 1089 P HA 0.447 nan 4.420 nan 0.000 0.269 1089 P C -0.428 176.901 177.300 0.048 0.000 1.215 1089 P CA 0.404 63.530 63.100 0.044 0.000 0.780 1089 P CB 1.300 33.015 31.700 0.025 0.000 0.898 1090 T N 1.131 115.743 114.554 0.097 0.000 3.012 1090 T HA 0.167 4.518 4.350 0.001 0.000 0.330 1090 T C -1.351 173.458 174.700 0.182 0.000 1.321 1090 T CA -0.243 61.905 62.100 0.081 0.000 1.067 1090 T CB 0.554 69.448 68.868 0.044 0.000 1.235 1090 T HN 0.225 nan 8.240 nan 0.000 0.479 1091 Y N 2.528 122.797 120.300 -0.052 0.000 2.377 1091 Y HA 0.545 5.096 4.550 0.001 0.000 0.330 1091 Y C -1.158 174.704 175.900 -0.062 0.000 1.108 1091 Y CA -0.902 57.194 58.100 -0.008 0.000 1.308 1091 Y CB 0.281 38.726 38.460 -0.025 0.000 1.216 1091 Y HN 0.621 nan 8.280 nan 0.000 0.518 1092 Y N 3.977 124.255 120.300 -0.037 0.000 2.406 1092 Y HA 0.360 4.910 4.550 0.001 0.000 0.340 1092 Y C -0.337 175.511 175.900 -0.087 0.000 0.975 1092 Y CA -0.879 57.212 58.100 -0.015 0.000 1.056 1092 Y CB 1.755 40.292 38.460 0.129 0.000 1.210 1092 Y HN 0.520 nan 8.280 nan 0.000 0.448 1093 Q N 2.618 122.447 119.800 0.048 0.000 2.214 1093 Q HA 0.454 4.794 4.340 0.001 0.000 0.251 1093 Q C -0.614 175.484 176.000 0.163 0.000 0.936 1093 Q CA -1.083 54.744 55.803 0.039 0.000 0.894 1093 Q CB 1.860 30.578 28.738 -0.033 0.000 1.252 1093 Q HN 0.492 nan 8.270 nan 0.000 0.448 1094 R N 2.438 123.055 120.500 0.193 0.000 2.332 1094 R HA 0.228 4.568 4.340 0.001 0.000 0.306 1094 R C -1.230 175.111 176.300 0.067 0.000 1.117 1094 R CA -0.553 55.674 56.100 0.211 0.000 1.108 1094 R CB -0.100 30.362 30.300 0.270 0.000 1.126 1094 R HN 0.388 nan 8.270 nan 0.000 0.548 1095 L N 2.794 124.012 121.223 -0.009 0.000 2.452 1095 L HA 0.370 4.711 4.340 0.001 0.000 0.267 1095 L C 1.249 178.011 176.870 -0.180 0.000 1.188 1095 L CA -0.408 54.374 54.840 -0.097 0.000 0.821 1095 L CB 0.019 42.021 42.059 -0.096 0.000 1.102 1095 L HN 0.551 nan 8.230 nan 0.000 0.470 1096 R N 0.087 120.437 120.500 -0.249 0.000 3.357 1096 R HA 0.070 4.410 4.340 0.001 0.000 0.218 1096 R C -0.601 175.543 176.300 -0.259 0.000 1.015 1096 R CA -0.294 55.631 56.100 -0.291 0.000 1.122 1096 R CB -0.320 29.776 30.300 -0.340 0.000 0.804 1096 R HN 0.738 nan 8.270 nan 0.000 0.466 1097 H N -1.206 117.745 119.070 -0.199 0.000 3.096 1097 H HA -0.074 4.483 4.556 0.001 0.000 0.350 1097 H C -0.906 174.294 175.328 -0.214 0.000 1.321 1097 H CA 0.618 56.552 56.048 -0.189 0.000 1.241 1097 H CB -1.798 27.856 29.762 -0.179 0.000 1.516 1097 H HN 0.482 nan 8.280 nan 0.000 0.452 1098 M N -0.390 119.148 119.600 -0.104 0.000 2.342 1098 M HA 0.240 4.721 4.480 0.001 0.000 0.332 1098 M C 1.857 178.089 176.300 -0.114 0.000 1.166 1098 M CA -0.367 54.842 55.300 -0.151 0.000 1.086 1098 M CB 1.429 33.928 32.600 -0.169 0.000 1.541 1098 M HN 0.109 nan 8.290 nan 0.000 0.462 1099 V N 1.224 121.066 119.914 -0.119 0.000 2.231 1099 V HA -0.284 3.837 4.120 0.001 0.000 0.248 1099 V C 1.195 177.252 176.094 -0.063 0.000 1.054 1099 V CA 2.279 64.526 62.300 -0.089 0.000 1.015 1099 V CB -0.276 31.496 31.823 -0.084 0.000 0.638 1099 V HN 0.889 nan 8.190 nan 0.000 0.444 1100 D N -0.062 120.304 120.400 -0.056 0.000 2.417 1100 D HA -0.114 4.526 4.640 0.001 0.000 0.225 1100 D C 1.318 177.602 176.300 -0.027 0.000 0.983 1100 D CA 0.827 54.807 54.000 -0.033 0.000 0.949 1100 D CB -0.210 40.575 40.800 -0.026 0.000 0.879 1100 D HN 0.550 nan 8.370 nan 0.000 0.520 1101 D N -1.103 119.271 120.400 -0.043 0.000 2.379 1101 D HA 0.082 4.722 4.640 0.001 0.000 0.208 1101 D C 1.523 177.804 176.300 -0.032 0.000 1.065 1101 D CA 0.226 54.202 54.000 -0.039 0.000 0.848 1101 D CB 0.569 41.328 40.800 -0.069 0.000 0.949 1101 D HN 0.209 nan 8.370 nan 0.000 0.509 1102 K N -0.169 120.212 120.400 -0.033 0.000 2.367 1102 K HA 0.139 4.459 4.320 0.001 0.000 0.198 1102 K C 0.385 176.995 176.600 0.017 0.000 1.132 1102 K CA -0.500 55.773 56.287 -0.024 0.000 0.941 1102 K CB 1.056 33.525 32.500 -0.051 0.000 1.052 1102 K HN -0.119 nan 8.250 nan 0.000 0.507 1103 I N 2.957 123.533 120.570 0.010 0.000 3.076 1103 I HA -0.211 3.960 4.170 0.001 0.000 0.321 1103 I C -0.217 175.967 176.117 0.111 0.000 1.216 1103 I CA 1.309 62.629 61.300 0.033 0.000 1.460 1103 I CB -0.477 37.530 38.000 0.011 0.000 1.313 1103 I HN 0.226 nan 8.210 nan 0.000 0.546 1104 H N 5.427 124.481 119.070 -0.027 0.000 3.137 1104 H HA 0.751 5.308 4.556 0.001 0.000 0.336 1104 H C -1.508 173.809 175.328 -0.017 0.000 1.055 1104 H CA -0.531 55.504 56.048 -0.021 0.000 1.349 1104 H CB 1.031 30.780 29.762 -0.022 0.000 1.939 1104 H HN 0.654 nan 8.280 nan 0.000 0.487 1105 A N 4.680 127.351 122.820 -0.247 0.000 2.435 1105 A HA 0.850 5.170 4.320 0.001 0.000 0.304 1105 A C -0.972 176.464 177.584 -0.248 0.000 1.064 1105 A CA -0.733 51.106 52.037 -0.331 0.000 0.727 1105 A CB 1.605 20.534 19.000 -0.119 0.000 1.284 1105 A HN 0.852 nan 8.150 nan 0.000 0.415 1106 R N 0.586 120.952 120.500 -0.223 0.000 2.626 1106 R HA 0.713 5.054 4.340 0.001 0.000 0.274 1106 R C -1.589 174.678 176.300 -0.055 0.000 1.031 1106 R CA 0.132 56.193 56.100 -0.066 0.000 0.898 1106 R CB 1.862 32.165 30.300 0.005 0.000 1.222 1106 R HN 1.526 nan 8.270 nan 0.000 0.455 1107 A N 5.231 128.035 122.820 -0.026 0.000 2.651 1107 A HA 0.549 4.869 4.320 0.001 0.000 0.290 1107 A C -0.714 176.859 177.584 -0.018 0.000 1.185 1107 A CA -0.308 51.714 52.037 -0.026 0.000 0.746 1107 A CB 0.524 19.508 19.000 -0.025 0.000 1.213 1107 A HN 1.107 nan 8.150 nan 0.000 0.429 1108 R N 0.836 121.325 120.500 -0.018 0.000 3.511 1108 R HA 0.046 4.387 4.340 0.001 0.000 0.611 1108 R C 0.246 176.539 176.300 -0.012 0.000 0.244 1108 R CA 1.302 57.391 56.100 -0.018 0.000 1.881 1108 R CB -1.229 29.058 30.300 -0.021 0.000 0.917 1108 R HN 2.597 nan 8.270 nan 0.000 0.604 1109 G N -0.311 108.479 108.800 -0.016 0.000 2.295 1109 G HA2 0.120 4.080 3.960 0.001 0.000 0.155 1109 G HA3 0.120 4.080 3.960 0.001 0.000 0.155 1109 G C -2.793 172.095 174.900 -0.019 0.000 1.307 1109 G CA -0.465 44.626 45.100 -0.015 0.000 1.140 1109 G HN 0.796 nan 8.290 nan 0.000 0.470 1110 P HA 0.240 nan 4.420 nan 0.000 0.257 1110 P C -0.689 176.593 177.300 -0.030 0.000 1.162 1110 P CA 0.674 63.763 63.100 -0.020 0.000 0.762 1110 P CB 0.253 31.945 31.700 -0.012 0.000 0.753 1111 M N 2.388 121.961 119.600 -0.045 0.000 2.243 1111 M HA 0.282 4.762 4.480 0.001 0.000 0.324 1111 M C 0.606 176.858 176.300 -0.081 0.000 1.031 1111 M CA -1.003 54.255 55.300 -0.070 0.000 0.949 1111 M CB 1.481 34.026 32.600 -0.091 0.000 1.615 1111 M HN 0.425 nan 8.290 nan 0.000 0.430 1112 Q N 1.016 120.764 119.800 -0.087 0.000 2.726 1112 Q HA 0.091 4.432 4.340 0.001 0.000 0.242 1112 Q C 0.355 176.284 176.000 -0.118 0.000 1.130 1112 Q CA 0.379 56.130 55.803 -0.086 0.000 1.031 1112 Q CB 0.862 29.550 28.738 -0.083 0.000 1.326 1112 Q HN 0.606 nan 8.270 nan 0.000 0.572 1113 V N 1.240 121.094 119.914 -0.100 0.000 3.307 1113 V HA -0.055 4.065 4.120 0.001 0.000 0.244 1113 V C 1.333 177.350 176.094 -0.129 0.000 1.196 1113 V CA 0.527 62.758 62.300 -0.115 0.000 1.132 1113 V CB 0.082 31.865 31.823 -0.067 0.000 0.875 1113 V HN 0.740 nan 8.190 nan 0.000 0.468 1114 L N 0.301 121.470 121.223 -0.090 0.000 2.068 1114 L HA 0.004 4.344 4.340 0.001 0.000 0.204 1114 L C 2.188 179.002 176.870 -0.094 0.000 1.076 1114 L CA 2.487 57.293 54.840 -0.056 0.000 0.753 1114 L CB -0.906 41.141 42.059 -0.019 0.000 0.910 1114 L HN 0.264 nan 8.230 nan 0.000 0.439 1115 T N -0.775 113.704 114.554 -0.124 0.000 2.852 1115 T HA 0.054 4.405 4.350 0.001 0.000 0.256 1115 T C 0.799 175.289 174.700 -0.350 0.000 1.038 1115 T CA 0.727 62.742 62.100 -0.141 0.000 1.141 1115 T CB 0.039 68.858 68.868 -0.081 0.000 0.869 1115 T HN 0.347 nan 8.240 nan 0.000 0.439 1116 R N 0.293 120.578 120.500 -0.358 0.000 3.862 1116 R HA -0.101 4.239 4.340 0.001 0.000 0.398 1116 R C -0.220 175.934 176.300 -0.243 0.000 1.110 1116 R CA 0.290 56.135 56.100 -0.426 0.000 1.010 1116 R CB -1.711 28.068 30.300 -0.868 0.000 1.613 1116 R HN 0.485 nan 8.270 nan 0.000 0.530 1117 Q N 0.261 119.968 119.800 -0.156 0.000 2.169 1117 Q HA 0.409 4.750 4.340 0.001 0.000 0.234 1117 Q C -2.379 173.576 176.000 -0.074 0.000 0.980 1117 Q CA -1.953 53.796 55.803 -0.090 0.000 0.941 1117 Q CB 0.938 29.642 28.738 -0.057 0.000 1.199 1117 Q HN -0.128 nan 8.270 nan 0.000 0.496 1118 P HA -0.052 nan 4.420 nan 0.000 0.271 1118 P C -0.854 176.432 177.300 -0.023 0.000 1.218 1118 P CA -0.094 62.987 63.100 -0.031 0.000 0.780 1118 P CB 0.511 32.202 31.700 -0.014 0.000 0.901 1119 V N 0.450 120.353 119.914 -0.020 0.000 3.264 1119 V HA 0.295 4.415 4.120 0.001 0.000 0.304 1119 V C 0.098 176.190 176.094 -0.003 0.000 1.086 1119 V CA -0.326 61.964 62.300 -0.017 0.000 1.090 1119 V CB 0.778 32.590 31.823 -0.019 0.000 1.112 1119 V HN 0.584 nan 8.190 nan 0.000 0.472 1120 E N 1.736 121.932 120.200 -0.008 0.000 2.179 1120 E HA 0.613 4.964 4.350 0.001 0.000 0.275 1120 E C -0.195 176.393 176.600 -0.020 0.000 0.945 1120 E CA -0.153 56.244 56.400 -0.005 0.000 0.792 1120 E CB 1.310 31.005 29.700 -0.007 0.000 1.125 1120 E HN 1.923 nan 8.360 nan 0.000 0.397 1121 G N 4.152 112.933 108.800 -0.031 0.000 3.306 1121 G HA2 -0.166 3.794 3.960 0.001 0.000 0.672 1121 G HA3 -0.166 3.794 3.960 0.001 0.000 0.672 1121 G C 0.277 175.077 174.900 -0.167 0.000 1.212 1121 G CA -0.114 44.941 45.100 -0.074 0.000 1.150 1121 G HN 0.780 nan 8.290 nan 0.000 0.509 1122 R N 1.125 121.443 120.500 -0.303 0.000 2.185 1122 R HA -0.187 4.153 4.340 0.001 0.000 0.247 1122 R C 2.568 178.645 176.300 -0.371 0.000 1.159 1122 R CA 3.014 58.688 56.100 -0.709 0.000 0.988 1122 R CB -0.341 29.545 30.300 -0.691 0.000 0.871 1122 R HN 1.025 nan 8.270 nan 0.000 0.458 1123 S N 0.778 116.362 115.700 -0.193 0.000 2.353 1123 S HA -0.163 4.307 4.470 0.001 0.000 0.222 1123 S C 1.826 176.380 174.600 -0.076 0.000 1.035 1123 S CA 1.179 59.318 58.200 -0.101 0.000 1.025 1123 S CB -0.309 62.856 63.200 -0.058 0.000 0.902 1123 S HN 0.480 nan 8.310 nan 0.000 0.440 1124 R N 1.074 121.531 120.500 -0.071 0.000 2.363 1124 R HA 0.143 4.483 4.340 0.001 0.000 0.236 1124 R C -0.029 176.248 176.300 -0.037 0.000 0.966 1124 R CA 0.537 56.613 56.100 -0.040 0.000 1.100 1124 R CB -0.244 30.040 30.300 -0.027 0.000 1.125 1124 R HN 0.428 nan 8.270 nan 0.000 0.514 1125 D N -0.819 119.542 120.400 -0.065 0.000 3.041 1125 D HA -0.122 4.518 4.640 0.001 0.000 0.220 1125 D C 0.342 176.674 176.300 0.053 0.000 1.157 1125 D CA 1.057 55.054 54.000 -0.005 0.000 0.876 1125 D CB -1.040 39.768 40.800 0.013 0.000 1.107 1125 D HN 0.421 nan 8.370 nan 0.000 0.422 1126 G N -0.731 108.075 108.800 0.010 0.000 2.593 1126 G HA2 0.477 4.438 3.960 0.001 0.000 0.279 1126 G HA3 0.477 4.438 3.960 0.001 0.000 0.279 1126 G C 0.660 175.674 174.900 0.190 0.000 1.329 1126 G CA 0.214 45.353 45.100 0.065 0.000 1.036 1126 G HN 0.463 nan 8.290 nan 0.000 0.555 1127 G N -2.023 106.855 108.800 0.129 0.000 2.644 1127 G HA2 0.576 4.537 3.960 0.001 0.000 0.307 1127 G HA3 0.576 4.537 3.960 0.001 0.000 0.307 1127 G C -0.259 174.706 174.900 0.108 0.000 1.250 1127 G CA -0.943 44.221 45.100 0.107 0.000 0.996 1127 G HN 0.557 nan 8.290 nan 0.000 0.489 1128 L N -0.778 120.479 121.223 0.056 0.000 2.567 1128 L HA 0.614 4.954 4.340 0.001 0.000 0.238 1128 L C 0.732 177.634 176.870 0.054 0.000 1.168 1128 L CA -0.893 53.980 54.840 0.054 0.000 0.817 1128 L CB 0.784 42.855 42.059 0.021 0.000 1.409 1128 L HN 0.457 nan 8.230 nan 0.000 0.502 1129 R N -0.313 120.215 120.500 0.046 0.000 2.562 1129 R HA 0.298 4.639 4.340 0.001 0.000 0.298 1129 R C -1.312 175.030 176.300 0.070 0.000 0.961 1129 R CA -0.510 55.623 56.100 0.055 0.000 0.881 1129 R CB 1.114 31.426 30.300 0.020 0.000 1.159 1129 R HN 0.437 nan 8.270 nan 0.000 0.450 1130 F N 4.223 124.152 119.950 -0.035 0.000 2.578 1130 F HA 0.402 4.930 4.527 0.001 0.000 0.314 1130 F C 0.584 176.361 175.800 -0.038 0.000 1.225 1130 F CA -0.336 57.639 58.000 -0.042 0.000 1.215 1130 F CB 0.429 39.386 39.000 -0.072 0.000 1.448 1130 F HN 0.749 nan 8.300 nan 0.000 0.548 1131 G N 1.261 110.004 108.800 -0.096 0.000 2.744 1131 G HA2 -0.065 3.896 3.960 0.001 0.000 0.257 1131 G HA3 -0.065 3.896 3.960 0.001 0.000 0.257 1131 G C 0.915 175.759 174.900 -0.094 0.000 1.244 1131 G CA -0.223 44.837 45.100 -0.068 0.000 0.916 1131 G HN 0.561 nan 8.290 nan 0.000 0.564 1132 E N -0.652 119.520 120.200 -0.047 0.000 2.055 1132 E HA -0.277 4.073 4.350 0.001 0.000 0.209 1132 E C 2.727 179.287 176.600 -0.067 0.000 1.036 1132 E CA 2.036 58.416 56.400 -0.034 0.000 0.849 1132 E CB -0.201 29.485 29.700 -0.024 0.000 0.767 1132 E HN 0.527 nan 8.360 nan 0.000 0.461 1133 M N 0.303 119.849 119.600 -0.090 0.000 2.088 1133 M HA -0.252 4.228 4.480 0.001 0.000 0.256 1133 M C 2.193 178.406 176.300 -0.145 0.000 1.071 1133 M CA 1.734 56.977 55.300 -0.096 0.000 1.097 1133 M CB -0.848 31.694 32.600 -0.097 0.000 1.315 1133 M HN 0.001 nan 8.290 nan 0.000 0.406 1134 E N 0.009 120.033 120.200 -0.294 0.000 2.130 1134 E HA -0.182 4.169 4.350 0.001 0.000 0.196 1134 E C 1.948 178.337 176.600 -0.351 0.000 0.998 1134 E CA 1.261 57.337 56.400 -0.541 0.000 0.806 1134 E CB -0.445 28.531 29.700 -1.207 0.000 0.738 1134 E HN 0.402 nan 8.360 nan 0.000 0.459 1135 R N 0.792 121.210 120.500 -0.138 0.000 2.075 1135 R HA -0.171 4.169 4.340 0.001 0.000 0.230 1135 R C 1.363 177.728 176.300 0.108 0.000 1.140 1135 R CA 1.993 58.192 56.100 0.165 0.000 0.928 1135 R CB -0.351 30.034 30.300 0.141 0.000 0.834 1135 R HN 0.090 nan 8.270 nan 0.000 0.429 1136 D N 0.196 120.621 120.400 0.043 0.000 2.218 1136 D HA -0.235 4.405 4.640 0.001 0.000 0.194 1136 D C 1.929 178.265 176.300 0.059 0.000 1.007 1136 D CA 1.561 55.584 54.000 0.037 0.000 0.879 1136 D CB -0.512 40.291 40.800 0.005 0.000 0.918 1136 D HN 0.319 nan 8.370 nan 0.000 0.449 1137 C N -0.066 119.276 119.300 0.070 0.000 2.453 1137 C HA -0.066 4.394 4.460 0.001 0.000 0.277 1137 C C 2.602 177.745 174.990 0.256 0.000 1.262 1137 C CA 0.296 59.394 59.018 0.134 0.000 1.718 1137 C CB -0.609 27.212 27.740 0.135 0.000 2.031 1137 C HN 0.335 nan 8.230 nan 0.000 0.480 1138 M N 0.830 120.598 119.600 0.280 0.000 2.108 1138 M HA -0.081 4.399 4.480 0.001 0.000 0.261 1138 M C 1.934 178.380 176.300 0.244 0.000 1.066 1138 M CA 1.479 56.980 55.300 0.335 0.000 1.107 1138 M CB -1.411 31.416 32.600 0.379 0.000 1.356 1138 M HN 0.353 nan 8.290 nan 0.000 0.406 1139 I N -0.134 120.536 120.570 0.166 0.000 2.264 1139 I HA -0.303 3.867 4.170 0.001 0.000 0.248 1139 I C 2.481 178.649 176.117 0.085 0.000 1.111 1139 I CA 1.250 62.615 61.300 0.107 0.000 1.382 1139 I CB -0.690 37.354 38.000 0.073 0.000 1.060 1139 I HN 0.239 nan 8.210 nan 0.000 0.418 1140 A N 0.093 122.955 122.820 0.070 0.000 1.855 1140 A HA -0.234 4.086 4.320 0.001 0.000 0.215 1140 A C 2.221 179.791 177.584 -0.024 0.000 1.191 1140 A CA 1.440 53.475 52.037 -0.004 0.000 0.613 1140 A CB -0.976 17.990 19.000 -0.056 0.000 0.829 1140 A HN 0.404 nan 8.150 nan 0.000 0.442 1141 H N -1.010 118.089 119.070 0.048 0.000 2.457 1141 H HA -0.049 4.508 4.556 0.001 0.000 0.297 1141 H C 1.857 177.211 175.328 0.044 0.000 1.092 1141 H CA 1.421 57.495 56.048 0.044 0.000 1.309 1141 H CB -0.194 29.605 29.762 0.061 0.000 1.382 1141 H HN 0.693 nan 8.280 nan 0.000 0.535 1142 G N -0.210 108.687 108.800 0.161 0.000 2.159 1142 G HA2 -0.289 3.671 3.960 0.001 0.000 0.256 1142 G HA3 -0.289 3.671 3.960 0.001 0.000 0.256 1142 G C 0.763 175.739 174.900 0.127 0.000 0.977 1142 G CA 0.409 45.575 45.100 0.110 0.000 0.652 1142 G HN 0.668 nan 8.290 nan 0.000 0.531 1143 A N 0.274 123.203 122.820 0.181 0.000 3.065 1143 A HA 0.721 5.041 4.320 0.001 0.000 0.262 1143 A C 1.987 179.678 177.584 0.177 0.000 1.901 1143 A CA 1.180 53.324 52.037 0.177 0.000 1.475 1143 A CB -0.764 18.368 19.000 0.221 0.000 0.984 1143 A HN 1.875 nan 8.150 nan 0.000 0.618 1144 A N 1.092 123.982 122.820 0.116 0.000 1.848 1144 A HA -0.173 4.147 4.320 0.001 0.000 0.217 1144 A C 2.543 180.170 177.584 0.072 0.000 1.220 1144 A CA 2.392 54.478 52.037 0.082 0.000 0.645 1144 A CB -1.184 17.851 19.000 0.058 0.000 0.842 1144 A HN 0.639 nan 8.150 nan 0.000 0.451 1145 S N -1.000 114.744 115.700 0.074 0.000 2.368 1145 S HA -0.214 4.257 4.470 0.001 0.000 0.226 1145 S C 1.681 176.325 174.600 0.073 0.000 1.044 1145 S CA 1.728 59.964 58.200 0.059 0.000 1.062 1145 S CB -0.673 62.563 63.200 0.060 0.000 0.931 1145 S HN 0.586 nan 8.310 nan 0.000 0.440 1146 F N 2.311 122.235 119.950 -0.043 0.000 2.063 1146 F HA -0.189 4.338 4.527 0.001 0.000 0.298 1146 F C 2.049 177.778 175.800 -0.118 0.000 1.109 1146 F CA 1.449 59.404 58.000 -0.074 0.000 1.212 1146 F CB -0.955 38.011 39.000 -0.056 0.000 0.973 1146 F HN 0.170 nan 8.300 nan 0.000 0.480 1147 L N 0.664 121.761 121.223 -0.210 0.000 1.978 1147 L HA -0.344 3.997 4.340 0.001 0.000 0.218 1147 L C 2.742 179.405 176.870 -0.345 0.000 1.075 1147 L CA 2.573 57.213 54.840 -0.334 0.000 0.767 1147 L CB -0.784 41.239 42.059 -0.060 0.000 0.890 1147 L HN 0.290 nan 8.230 nan 0.000 0.434 1148 K N -0.303 119.992 120.400 -0.175 0.000 2.044 1148 K HA -0.314 4.006 4.320 0.001 0.000 0.210 1148 K C 2.054 178.534 176.600 -0.201 0.000 1.049 1148 K CA 2.226 58.426 56.287 -0.144 0.000 0.927 1148 K CB -0.307 32.152 32.500 -0.068 0.000 0.713 1148 K HN 0.496 nan 8.250 nan 0.000 0.443 1149 E N -0.013 120.057 120.200 -0.216 0.000 2.085 1149 E HA -0.213 4.137 4.350 0.001 0.000 0.194 1149 E C 2.151 178.556 176.600 -0.326 0.000 0.994 1149 E CA 0.972 57.247 56.400 -0.208 0.000 0.801 1149 E CB 0.160 29.793 29.700 -0.111 0.000 0.743 1149 E HN 0.238 nan 8.360 nan 0.000 0.453 1150 R N 0.036 120.178 120.500 -0.596 0.000 2.073 1150 R HA -0.130 4.210 4.340 0.001 0.000 0.234 1150 R C 2.428 178.465 176.300 -0.438 0.000 1.134 1150 R CA 0.754 56.438 56.100 -0.693 0.000 0.952 1150 R CB -0.775 28.703 30.300 -1.370 0.000 0.850 1150 R HN 0.204 nan 8.270 nan 0.000 0.433 1151 L N -0.051 120.946 121.223 -0.377 0.000 2.093 1151 L HA -0.116 4.225 4.340 0.001 0.000 0.208 1151 L C 2.212 179.003 176.870 -0.131 0.000 1.085 1151 L CA 1.623 56.340 54.840 -0.205 0.000 0.755 1151 L CB -0.372 41.597 42.059 -0.151 0.000 0.904 1151 L HN 0.125 nan 8.230 nan 0.000 0.435 1152 M N -1.754 117.768 119.600 -0.132 0.000 2.449 1152 M HA 0.064 4.544 4.480 0.001 0.000 0.178 1152 M C 2.080 178.328 176.300 -0.087 0.000 1.388 1152 M CA 0.435 55.685 55.300 -0.083 0.000 1.295 1152 M CB -0.962 31.595 32.600 -0.071 0.000 0.912 1152 M HN -0.145 nan 8.290 nan 0.000 0.469 1153 E N 1.538 121.681 120.200 -0.094 0.000 2.172 1153 E HA -0.191 4.160 4.350 0.001 0.000 0.213 1153 E C 1.165 177.719 176.600 -0.076 0.000 1.051 1153 E CA 2.115 58.465 56.400 -0.082 0.000 0.860 1153 E CB -0.473 29.180 29.700 -0.079 0.000 0.755 1153 E HN 0.563 nan 8.360 nan 0.000 0.462 1154 A N -0.882 121.877 122.820 -0.101 0.000 2.734 1154 A HA 0.492 4.813 4.320 0.001 0.000 0.279 1154 A C 0.696 178.228 177.584 -0.087 0.000 1.386 1154 A CA 0.610 52.591 52.037 -0.093 0.000 0.987 1154 A CB 0.002 18.932 19.000 -0.117 0.000 1.041 1154 A HN 0.120 nan 8.150 nan 0.000 0.569 1155 S N -1.623 114.035 115.700 -0.070 0.000 5.203 1155 S HA 0.021 4.491 4.470 0.001 0.000 0.202 1155 S C 0.145 174.721 174.600 -0.040 0.000 1.245 1155 S CA 0.445 58.611 58.200 -0.057 0.000 0.991 1155 S CB -0.654 62.506 63.200 -0.067 0.000 1.932 1155 S HN 0.258 nan 8.310 nan 0.000 0.521 1156 D N 1.538 121.924 120.400 -0.023 0.000 2.174 1156 D HA 0.131 4.772 4.640 0.001 0.000 0.215 1156 D C 0.949 177.290 176.300 0.069 0.000 1.021 1156 D CA 2.111 56.124 54.000 0.023 0.000 0.910 1156 D CB -1.080 39.752 40.800 0.054 0.000 1.142 1156 D HN 1.308 nan 8.370 nan 0.000 0.473 1157 A N -0.042 122.828 122.820 0.084 0.000 1.446 1157 A HA -0.126 4.195 4.320 0.001 0.000 0.246 1157 A C -0.397 177.349 177.584 0.270 0.000 0.985 1157 A CA 0.658 52.755 52.037 0.100 0.000 0.553 1157 A CB -1.319 17.686 19.000 0.008 0.000 1.493 1157 A HN 0.341 nan 8.150 nan 0.000 0.195 1158 F N 2.905 122.903 119.950 0.080 0.000 2.654 1158 F HA 0.744 5.271 4.527 0.001 0.000 0.308 1158 F C -0.436 175.460 175.800 0.160 0.000 1.108 1158 F CA -1.098 56.978 58.000 0.127 0.000 0.957 1158 F CB 1.438 40.536 39.000 0.162 0.000 1.309 1158 F HN 0.752 nan 8.300 nan 0.000 0.446 1159 R N 4.491 124.687 120.500 -0.507 0.000 2.337 1159 R HA 0.678 5.019 4.340 0.001 0.000 0.319 1159 R C -1.845 173.923 176.300 -0.885 0.000 0.954 1159 R CA -0.326 55.485 56.100 -0.481 0.000 0.840 1159 R CB 0.999 31.223 30.300 -0.127 0.000 1.164 1159 R HN 0.554 nan 8.270 nan 0.000 0.472 1160 V N 2.106 121.624 119.914 -0.660 0.000 3.103 1160 V HA 0.582 4.702 4.120 0.001 0.000 0.318 1160 V C 0.093 175.953 176.094 -0.390 0.000 1.114 1160 V CA -1.048 60.971 62.300 -0.469 0.000 1.020 1160 V CB 2.180 33.837 31.823 -0.277 0.000 1.085 1160 V HN 0.657 nan 8.190 nan 0.000 0.446 1161 H N 0.771 119.802 119.070 -0.064 0.000 2.616 1161 H HA 0.767 5.324 4.556 0.001 0.000 0.353 1161 H C -0.819 174.517 175.328 0.013 0.000 1.170 1161 H CA -0.289 55.756 56.048 -0.005 0.000 1.212 1161 H CB 2.393 32.209 29.762 0.091 0.000 1.653 1161 H HN 0.549 nan 8.280 nan 0.000 0.537 1162 I N 0.051 120.713 120.570 0.154 0.000 3.239 1162 I HA 0.222 4.393 4.170 0.001 0.000 0.314 1162 I C -0.236 175.938 176.117 0.095 0.000 1.126 1162 I CA -1.024 60.334 61.300 0.097 0.000 0.973 1162 I CB 2.282 40.311 38.000 0.049 0.000 1.252 1162 I HN 0.421 nan 8.210 nan 0.000 0.463 1163 C N 1.513 120.844 119.300 0.052 0.000 2.295 1163 C HA 0.569 5.029 4.460 0.001 0.000 0.331 1163 C C 1.663 176.638 174.990 -0.025 0.000 1.280 1163 C CA -0.058 58.980 59.018 0.033 0.000 1.746 1163 C CB -0.092 27.662 27.740 0.024 0.000 2.328 1163 C HN 1.016 nan 8.230 nan 0.000 0.521 1164 G N 4.515 113.325 108.800 0.016 0.000 2.498 1164 G HA2 -0.086 3.874 3.960 0.001 0.000 0.219 1164 G HA3 -0.086 3.874 3.960 0.001 0.000 0.219 1164 G C 1.098 175.816 174.900 -0.303 0.000 1.119 1164 G CA 0.980 46.014 45.100 -0.110 0.000 0.766 1164 G HN 0.829 nan 8.290 nan 0.000 0.552 1165 I N 0.419 120.894 120.570 -0.158 0.000 2.641 1165 I HA 0.026 4.196 4.170 0.001 0.000 0.232 1165 I C 1.267 177.356 176.117 -0.045 0.000 1.060 1165 I CA 0.360 61.585 61.300 -0.125 0.000 1.417 1165 I CB -0.088 37.891 38.000 -0.036 0.000 1.227 1165 I HN 0.225 nan 8.210 nan 0.000 0.434 1166 c N 1.977 120.593 118.600 0.027 0.000 2.227 1166 c HA 0.555 5.125 4.570 0.001 0.000 0.333 1166 c C 1.323 175.483 174.090 0.117 0.000 1.145 1166 c CA -1.379 55.009 56.329 0.099 0.000 1.643 1166 c CB -0.946 41.598 42.510 0.056 0.000 2.185 1166 c HN 0.633 nan 8.230 nan 0.000 0.497 1167 G N 4.367 113.343 108.800 0.293 0.000 2.809 1167 G HA2 0.263 4.223 3.960 0.001 0.000 0.260 1167 G HA3 0.263 4.223 3.960 0.001 0.000 0.260 1167 G C -0.017 174.913 174.900 0.050 0.000 0.734 1167 G CA 0.205 45.441 45.100 0.227 0.000 2.020 1167 G HN 0.852 nan 8.290 nan 0.000 0.578 1168 L N -0.777 120.467 121.223 0.035 0.000 2.256 1168 L HA 0.460 4.800 4.340 0.001 0.000 0.261 1168 L C 1.458 178.348 176.870 0.035 0.000 1.022 1168 L CA -1.228 53.621 54.840 0.015 0.000 0.828 1168 L CB 1.503 43.575 42.059 0.022 0.000 1.374 1168 L HN 0.057 nan 8.230 nan 0.000 0.436 1169 M N -0.748 118.879 119.600 0.044 0.000 2.561 1169 M HA 0.017 4.497 4.480 0.001 0.000 0.238 1169 M C 1.613 177.957 176.300 0.073 0.000 1.131 1169 M CA 0.295 55.635 55.300 0.066 0.000 1.046 1169 M CB -0.610 32.036 32.600 0.077 0.000 1.532 1169 M HN 0.819 nan 8.290 nan 0.000 0.497 1170 T N 1.523 116.113 114.554 0.060 0.000 2.522 1170 T HA -0.200 4.151 4.350 0.001 0.000 0.253 1170 T C 1.035 175.775 174.700 0.067 0.000 1.218 1170 T CA 1.165 63.299 62.100 0.057 0.000 1.155 1170 T CB -1.357 67.540 68.868 0.048 0.000 0.855 1170 T HN 0.314 nan 8.240 nan 0.000 0.435 1171 V N 2.468 122.430 119.914 0.081 0.000 3.205 1171 V HA -0.172 3.948 4.120 0.001 0.000 0.275 1171 V C 0.639 176.778 176.094 0.075 0.000 1.469 1171 V CA 0.602 62.961 62.300 0.098 0.000 1.464 1171 V CB -0.937 30.977 31.823 0.153 0.000 0.804 1171 V HN 0.436 nan 8.190 nan 0.000 0.417 1172 I N 5.073 125.668 120.570 0.042 0.000 2.257 1172 I HA 0.352 4.522 4.170 0.001 0.000 0.290 1172 I C 0.905 176.960 176.117 -0.105 0.000 1.137 1172 I CA -0.088 61.207 61.300 -0.008 0.000 1.255 1172 I CB 0.542 38.537 38.000 -0.009 0.000 1.485 1172 I HN 0.784 nan 8.210 nan 0.000 0.534 1173 A N 5.982 128.713 122.820 -0.148 0.000 2.395 1173 A HA 0.236 4.556 4.320 0.001 0.000 0.286 1173 A C 0.965 178.317 177.584 -0.386 0.000 1.193 1173 A CA -0.219 51.551 52.037 -0.444 0.000 0.852 1173 A CB 0.041 18.764 19.000 -0.461 0.000 1.118 1173 A HN 0.652 nan 8.150 nan 0.000 0.524 1174 K N 2.540 122.640 120.400 -0.500 0.000 2.404 1174 K HA 0.186 4.507 4.320 0.001 0.000 0.194 1174 K C 0.164 176.577 176.600 -0.312 0.000 1.023 1174 K CA -0.112 55.996 56.287 -0.298 0.000 1.094 1174 K CB -0.227 32.157 32.500 -0.193 0.000 0.841 1174 K HN 0.804 nan 8.250 nan 0.000 0.523 1175 L N 1.481 122.455 121.223 -0.416 0.000 4.400 1175 L HA -0.390 3.951 4.340 0.001 0.000 0.520 1175 L C 0.955 177.711 176.870 -0.189 0.000 0.966 1175 L CA 0.542 55.240 54.840 -0.235 0.000 0.917 1175 L CB -1.434 40.590 42.059 -0.057 0.000 1.862 1175 L HN 0.420 nan 8.230 nan 0.000 1.013 1176 N N -1.499 117.029 118.700 -0.287 0.000 3.502 1176 N HA 0.079 4.819 4.740 0.001 0.000 0.226 1176 N C 0.988 176.273 175.510 -0.375 0.000 1.133 1176 N CA 0.019 52.841 53.050 -0.380 0.000 1.143 1176 N CB 0.229 38.343 38.487 -0.621 0.000 1.346 1176 N HN 0.354 nan 8.380 nan 0.000 0.720 1177 H N 2.569 121.583 119.070 -0.094 0.000 2.669 1177 H HA 0.227 4.783 4.556 0.001 0.000 0.297 1177 H C 0.130 175.399 175.328 -0.098 0.000 1.071 1177 H CA 0.060 56.062 56.048 -0.077 0.000 1.182 1177 H CB -0.628 29.091 29.762 -0.072 0.000 1.343 1177 H HN 0.326 nan 8.280 nan 0.000 0.582 1178 N N 0.750 119.391 118.700 -0.099 0.000 2.707 1178 N HA -0.246 4.494 4.740 0.001 0.000 0.245 1178 N C 0.038 175.432 175.510 -0.193 0.000 1.103 1178 N CA 0.926 53.922 53.050 -0.091 0.000 0.882 1178 N CB -0.715 37.818 38.487 0.076 0.000 1.160 1178 N HN 0.624 nan 8.380 nan 0.000 0.587 1179 Q N -1.164 118.509 119.800 -0.211 0.000 2.386 1179 Q HA 0.103 4.443 4.340 0.001 0.000 0.282 1179 Q C 0.710 176.433 176.000 -0.461 0.000 1.050 1179 Q CA 0.607 56.305 55.803 -0.175 0.000 0.918 1179 Q CB 0.208 28.884 28.738 -0.104 0.000 1.266 1179 Q HN 0.299 nan 8.270 nan 0.000 0.423 1180 F N -0.666 119.246 119.950 -0.064 0.000 2.671 1180 F HA 0.113 4.640 4.527 0.001 0.000 0.303 1180 F C 0.587 176.346 175.800 -0.068 0.000 0.935 1180 F CA -0.205 57.737 58.000 -0.097 0.000 1.136 1180 F CB 0.637 39.566 39.000 -0.118 0.000 0.929 1180 F HN 0.598 nan 8.300 nan 0.000 0.659 1181 E N -0.502 119.767 120.200 0.115 0.000 7.804 1181 E HA -0.395 3.955 4.350 0.001 0.000 0.161 1181 E C -0.184 176.457 176.600 0.067 0.000 1.481 1181 E CA 1.508 57.947 56.400 0.065 0.000 2.592 1181 E CB -0.291 29.424 29.700 0.026 0.000 1.602 1181 E HN 0.470 nan 8.360 nan 0.000 0.408 1182 C N 1.358 120.685 119.300 0.044 0.000 2.202 1182 C HA 0.069 4.530 4.460 0.001 0.000 0.342 1182 C C -0.802 174.206 174.990 0.030 0.000 0.889 1182 C CA -0.228 58.815 59.018 0.042 0.000 0.527 1182 C CB -1.281 26.489 27.740 0.049 0.000 1.416 1182 C HN 0.634 nan 8.230 nan 0.000 0.790 1183 K N 1.332 121.746 120.400 0.024 0.000 2.544 1183 K HA 0.412 4.732 4.320 0.001 0.000 0.274 1183 K C 1.491 178.103 176.600 0.020 0.000 0.962 1183 K CA 1.699 57.997 56.287 0.019 0.000 0.946 1183 K CB -0.045 32.464 32.500 0.015 0.000 0.905 1183 K HN 1.699 nan 8.250 nan 0.000 0.521 1184 G N -0.200 108.610 108.800 0.017 0.000 5.259 1184 G HA2 -0.365 3.595 3.960 0.001 0.000 0.288 1184 G HA3 -0.365 3.595 3.960 0.001 0.000 0.288 1184 G C 1.283 176.193 174.900 0.017 0.000 1.534 1184 G CA -0.022 45.088 45.100 0.017 0.000 1.031 1184 G HN 0.681 nan 8.290 nan 0.000 0.724 1185 c N 2.215 120.827 118.600 0.020 0.000 2.500 1185 c HA 0.390 4.961 4.570 0.001 0.000 0.273 1185 c C 1.009 175.108 174.090 0.016 0.000 1.428 1185 c CA 0.052 56.392 56.329 0.019 0.000 1.766 1185 c CB -1.105 41.418 42.510 0.022 0.000 1.817 1185 c HN 0.846 nan 8.230 nan 0.000 0.543 1186 D N 1.636 122.046 120.400 0.018 0.000 3.666 1186 D HA -0.166 4.474 4.640 0.001 0.000 0.220 1186 D C 0.125 176.434 176.300 0.016 0.000 1.105 1186 D CA 0.644 54.654 54.000 0.016 0.000 1.111 1186 D CB -0.407 40.401 40.800 0.012 0.000 0.790 1186 D HN 0.574 nan 8.370 nan 0.000 0.389 1187 N N 2.213 120.925 118.700 0.021 0.000 2.014 1187 N HA 0.281 5.022 4.740 0.001 0.000 0.135 1187 N C 0.687 176.211 175.510 0.024 0.000 1.468 1187 N CA 0.516 53.578 53.050 0.019 0.000 1.088 1187 N CB 0.580 39.080 38.487 0.021 0.000 1.197 1187 N HN 0.522 nan 8.380 nan 0.000 0.312 1188 K N -1.269 119.152 120.400 0.036 0.000 3.469 1188 K HA -0.018 4.302 4.320 0.001 0.000 0.246 1188 K C 0.676 177.293 176.600 0.028 0.000 1.193 1188 K CA 0.492 56.812 56.287 0.056 0.000 0.945 1188 K CB -1.028 31.497 32.500 0.042 0.000 1.466 1188 K HN 0.371 nan 8.250 nan 0.000 0.565 1189 I N -0.327 120.237 120.570 -0.009 0.000 3.650 1189 I HA 0.044 4.214 4.170 0.001 0.000 0.261 1189 I C 0.009 176.070 176.117 -0.093 0.000 1.154 1189 I CA -0.199 61.074 61.300 -0.046 0.000 1.418 1189 I CB 0.543 38.524 38.000 -0.031 0.000 1.539 1189 I HN 0.001 nan 8.210 nan 0.000 0.449 1190 D N 2.410 122.776 120.400 -0.056 0.000 2.422 1190 D HA 0.448 5.089 4.640 0.001 0.000 0.227 1190 D C -0.786 175.501 176.300 -0.023 0.000 1.190 1190 D CA 0.434 54.408 54.000 -0.043 0.000 0.905 1190 D CB 0.182 40.999 40.800 0.027 0.000 1.034 1190 D HN 0.048 nan 8.370 nan 0.000 0.507 1191 I N 3.412 123.876 120.570 -0.176 0.000 2.571 1191 I HA 0.240 4.410 4.170 0.001 0.000 0.289 1191 I C -0.946 174.973 176.117 -0.331 0.000 1.115 1191 I CA -0.904 60.312 61.300 -0.141 0.000 1.045 1191 I CB 1.340 39.181 38.000 -0.265 0.000 1.238 1191 I HN 0.184 nan 8.210 nan 0.000 0.424 1192 Y N 3.352 123.568 120.300 -0.139 0.000 2.596 1192 Y HA 0.569 5.119 4.550 0.001 0.000 0.326 1192 Y C 0.055 175.892 175.900 -0.105 0.000 1.167 1192 Y CA -0.786 57.235 58.100 -0.132 0.000 1.246 1192 Y CB 1.063 39.452 38.460 -0.120 0.000 1.347 1192 Y HN 0.405 nan 8.280 nan 0.000 0.515 1193 Q N 2.481 122.263 119.800 -0.029 0.000 2.323 1193 Q HA 0.677 5.017 4.340 0.001 0.000 0.271 1193 Q C -1.693 174.152 176.000 -0.259 0.000 1.048 1193 Q CA -0.657 55.005 55.803 -0.236 0.000 0.792 1193 Q CB 2.009 30.559 28.738 -0.312 0.000 1.280 1193 Q HN 0.808 nan 8.270 nan 0.000 0.441 1194 I N -0.702 119.687 120.570 -0.301 0.000 3.042 1194 I HA 0.579 4.750 4.170 0.001 0.000 0.310 1194 I C -1.168 174.782 176.117 -0.279 0.000 1.117 1194 I CA -1.123 60.027 61.300 -0.251 0.000 1.003 1194 I CB 2.443 40.389 38.000 -0.089 0.000 1.228 1194 I HN 0.553 nan 8.210 nan 0.000 0.443 1195 H N 4.439 123.469 119.070 -0.066 0.000 2.511 1195 H HA 0.754 5.310 4.556 0.001 0.000 0.328 1195 H C -0.670 174.651 175.328 -0.011 0.000 1.044 1195 H CA -0.438 55.578 56.048 -0.053 0.000 1.212 1195 H CB 1.770 31.515 29.762 -0.028 0.000 1.428 1195 H HN 0.740 nan 8.280 nan 0.000 0.483 1196 I N 0.220 120.872 120.570 0.136 0.000 2.918 1196 I HA 0.469 4.639 4.170 0.001 0.000 0.301 1196 I C -2.968 173.225 176.117 0.127 0.000 1.312 1196 I CA -2.643 58.720 61.300 0.106 0.000 1.007 1196 I CB 3.210 41.267 38.000 0.095 0.000 1.281 1196 I HN 0.172 nan 8.210 nan 0.000 0.440 1197 P HA -0.079 nan 4.420 nan 0.000 0.262 1197 P C 0.210 177.597 177.300 0.144 0.000 1.199 1197 P CA 0.455 63.610 63.100 0.092 0.000 0.763 1197 P CB 0.415 32.127 31.700 0.019 0.000 0.790 1198 Y N 4.880 125.234 120.300 0.089 0.000 2.181 1198 Y HA -0.336 4.215 4.550 0.001 0.000 0.284 1198 Y C 2.436 178.324 175.900 -0.021 0.000 1.179 1198 Y CA 2.328 60.468 58.100 0.067 0.000 1.179 1198 Y CB -0.504 37.878 38.460 -0.129 0.000 0.973 1198 Y HN 0.486 nan 8.280 nan 0.000 0.519 1199 A N 0.255 123.204 122.820 0.214 0.000 1.940 1199 A HA -0.225 4.095 4.320 0.001 0.000 0.219 1199 A C 2.383 179.922 177.584 -0.075 0.000 1.176 1199 A CA 1.945 54.035 52.037 0.089 0.000 0.631 1199 A CB -1.459 17.556 19.000 0.025 0.000 0.814 1199 A HN 0.634 nan 8.150 nan 0.000 0.446 1200 A N 0.058 122.775 122.820 -0.171 0.000 1.877 1200 A HA -0.177 4.143 4.320 0.001 0.000 0.216 1200 A C 2.155 179.306 177.584 -0.722 0.000 1.186 1200 A CA 2.017 53.751 52.037 -0.504 0.000 0.620 1200 A CB -0.542 18.188 19.000 -0.451 0.000 0.822 1200 A HN 0.560 nan 8.150 nan 0.000 0.443 1201 K N -0.208 119.994 120.400 -0.331 0.000 2.059 1201 K HA -0.204 4.116 4.320 0.001 0.000 0.212 1201 K C 1.983 178.520 176.600 -0.105 0.000 1.050 1201 K CA 1.900 58.107 56.287 -0.132 0.000 0.927 1201 K CB -0.433 31.982 32.500 -0.141 0.000 0.714 1201 K HN 0.473 nan 8.250 nan 0.000 0.447 1202 L N 0.876 122.015 121.223 -0.139 0.000 1.976 1202 L HA -0.232 4.108 4.340 0.001 0.000 0.209 1202 L C 2.697 179.553 176.870 -0.023 0.000 1.071 1202 L CA 1.212 56.035 54.840 -0.028 0.000 0.746 1202 L CB -0.501 41.590 42.059 0.054 0.000 0.890 1202 L HN 0.311 nan 8.230 nan 0.000 0.432 1203 L N -0.257 120.892 121.223 -0.122 0.000 2.030 1203 L HA -0.345 3.995 4.340 0.001 0.000 0.222 1203 L C 2.212 179.141 176.870 0.098 0.000 1.082 1203 L CA 2.179 56.967 54.840 -0.086 0.000 0.785 1203 L CB -0.855 41.045 42.059 -0.266 0.000 0.895 1203 L HN 0.160 nan 8.230 nan 0.000 0.439 1204 F N -0.796 119.163 119.950 0.014 0.000 2.046 1204 F HA -0.282 4.246 4.527 0.001 0.000 0.297 1204 F C 2.681 178.487 175.800 0.011 0.000 1.123 1204 F CA 1.294 59.299 58.000 0.009 0.000 1.199 1204 F CB -0.565 38.438 39.000 0.005 0.000 0.972 1204 F HN 0.189 nan 8.300 nan 0.000 0.474 1205 Q N 0.369 120.298 119.800 0.215 0.000 2.135 1205 Q HA -0.223 4.117 4.340 0.001 0.000 0.204 1205 Q C 1.931 177.989 176.000 0.096 0.000 0.981 1205 Q CA 1.712 57.590 55.803 0.124 0.000 0.856 1205 Q CB -0.283 28.507 28.738 0.087 0.000 0.902 1205 Q HN 0.562 nan 8.270 nan 0.000 0.425 1206 E N 0.565 120.820 120.200 0.091 0.000 2.077 1206 E HA -0.163 4.188 4.350 0.001 0.000 0.193 1206 E C 2.060 178.704 176.600 0.073 0.000 0.989 1206 E CA 0.753 57.195 56.400 0.070 0.000 0.800 1206 E CB -0.096 29.639 29.700 0.058 0.000 0.746 1206 E HN 0.321 nan 8.360 nan 0.000 0.452 1207 L N 0.288 121.571 121.223 0.100 0.000 2.083 1207 L HA -0.206 4.135 4.340 0.001 0.000 0.209 1207 L C 2.534 179.440 176.870 0.061 0.000 1.083 1207 L CA 1.071 55.963 54.840 0.086 0.000 0.752 1207 L CB -0.248 41.883 42.059 0.120 0.000 0.899 1207 L HN 0.236 nan 8.230 nan 0.000 0.433 1208 M N -0.875 118.764 119.600 0.066 0.000 2.117 1208 M HA -0.170 4.311 4.480 0.001 0.000 0.262 1208 M C 2.391 178.714 176.300 0.038 0.000 1.065 1208 M CA 1.854 57.181 55.300 0.044 0.000 1.114 1208 M CB -0.491 32.138 32.600 0.048 0.000 1.361 1208 M HN 0.262 nan 8.290 nan 0.000 0.408 1209 A N -0.321 122.526 122.820 0.044 0.000 2.125 1209 A HA -0.090 4.231 4.320 0.001 0.000 0.219 1209 A C 1.961 179.564 177.584 0.031 0.000 1.156 1209 A CA 1.230 53.289 52.037 0.037 0.000 0.671 1209 A CB -0.658 18.366 19.000 0.040 0.000 0.794 1209 A HN 0.505 nan 8.150 nan 0.000 0.459 1210 M N -0.856 118.764 119.600 0.032 0.000 2.453 1210 M HA 0.103 4.583 4.480 0.001 0.000 0.239 1210 M C 0.520 176.832 176.300 0.021 0.000 1.151 1210 M CA -0.015 55.301 55.300 0.026 0.000 0.989 1210 M CB -0.147 32.470 32.600 0.029 0.000 1.548 1210 M HN 0.600 nan 8.290 nan 0.000 0.479 1211 N N 1.537 120.249 118.700 0.020 0.000 2.741 1211 N HA -0.176 4.565 4.740 0.001 0.000 0.250 1211 N C -0.861 174.654 175.510 0.009 0.000 1.115 1211 N CA 0.504 53.562 53.050 0.014 0.000 0.724 1211 N CB -0.600 37.895 38.487 0.012 0.000 1.090 1211 N HN 0.399 nan 8.380 nan 0.000 0.558 1212 I N 1.247 121.824 120.570 0.011 0.000 2.493 1212 I HA 0.209 4.379 4.170 0.001 0.000 0.298 1212 I C 0.600 176.712 176.117 -0.009 0.000 0.998 1212 I CA -0.479 60.821 61.300 0.001 0.000 1.137 1212 I CB 1.843 39.848 38.000 0.008 0.000 1.310 1212 I HN 0.097 nan 8.210 nan 0.000 0.445 1213 T N 3.734 118.270 114.554 -0.030 0.000 2.756 1213 T HA 0.590 4.940 4.350 0.001 0.000 0.290 1213 T C -2.424 172.216 174.700 -0.101 0.000 0.985 1213 T CA -1.535 60.532 62.100 -0.055 0.000 0.955 1213 T CB 1.231 70.070 68.868 -0.047 0.000 0.930 1213 T HN 0.343 nan 8.240 nan 0.000 0.451 1214 P HA 0.441 nan 4.420 nan 0.000 0.300 1214 P C -0.752 176.365 177.300 -0.304 0.000 1.375 1214 P CA -0.769 62.168 63.100 -0.271 0.000 0.864 1214 P CB 0.992 32.439 31.700 -0.421 0.000 0.958 1215 R N 3.173 123.518 120.500 -0.259 0.000 2.297 1215 R HA 0.446 4.786 4.340 0.001 0.000 0.308 1215 R C -0.059 176.128 176.300 -0.188 0.000 1.029 1215 R CA -0.725 55.244 56.100 -0.218 0.000 0.929 1215 R CB 1.131 31.217 30.300 -0.356 0.000 1.046 1215 R HN 0.553 nan 8.270 nan 0.000 0.461 1216 L N 5.101 126.304 121.223 -0.034 0.000 2.283 1216 L HA 0.336 4.677 4.340 0.001 0.000 0.281 1216 L C -0.878 176.138 176.870 0.243 0.000 1.033 1216 L CA -0.566 54.283 54.840 0.015 0.000 0.848 1216 L CB 0.277 42.306 42.059 -0.050 0.000 1.226 1216 L HN 0.383 nan 8.230 nan 0.000 0.429 1217 Y N 0.908 121.118 120.300 -0.150 0.000 2.377 1217 Y HA 0.186 4.736 4.550 0.001 0.000 0.339 1217 Y C 1.526 177.303 175.900 -0.206 0.000 1.011 1217 Y CA -1.431 56.558 58.100 -0.186 0.000 1.093 1217 Y CB 2.017 40.392 38.460 -0.143 0.000 1.201 1217 Y HN 0.521 nan 8.280 nan 0.000 0.455 1218 T N -2.327 112.065 114.554 -0.269 0.000 3.169 1218 T HA 0.147 4.498 4.350 0.001 0.000 0.250 1218 T C -0.518 174.086 174.700 -0.159 0.000 1.111 1218 T CA 0.089 62.028 62.100 -0.267 0.000 1.010 1218 T CB -0.658 67.885 68.868 -0.541 0.000 0.984 1218 T HN 0.558 nan 8.240 nan 0.000 0.537 1219 D N 0.040 120.381 120.400 -0.099 0.000 2.977 1219 D HA 0.278 4.919 4.640 0.001 0.000 0.220 1219 D C -0.473 175.839 176.300 0.021 0.000 1.267 1219 D CA -1.022 52.955 54.000 -0.039 0.000 0.884 1219 D CB 1.092 41.857 40.800 -0.058 0.000 1.667 1219 D HN 0.353 nan 8.370 nan 0.000 0.536 1220 R N 0.569 121.084 120.500 0.024 0.000 2.490 1220 R HA 0.559 4.899 4.340 0.001 0.000 0.280 1220 R C -0.017 176.307 176.300 0.040 0.000 1.077 1220 R CA -0.524 55.599 56.100 0.038 0.000 1.065 1220 R CB 0.715 31.037 30.300 0.036 0.000 1.003 1220 R HN 0.537 nan 8.270 nan 0.000 0.470 1221 S N 1.272 117.001 115.700 0.048 0.000 2.733 1221 S HA 0.089 4.559 4.470 0.001 0.000 0.247 1221 S C 1.226 175.849 174.600 0.038 0.000 1.043 1221 S CA -0.682 57.542 58.200 0.041 0.000 1.066 1221 S CB 0.250 63.483 63.200 0.054 0.000 1.045 1221 S HN 0.767 nan 8.310 nan 0.000 0.586 1222 R N 1.466 121.999 120.500 0.054 0.000 2.359 1222 R HA 0.127 4.467 4.340 0.001 0.000 0.231 1222 R C -0.339 176.028 176.300 0.112 0.000 0.913 1222 R CA 0.352 56.501 56.100 0.083 0.000 1.075 1222 R CB -0.236 30.125 30.300 0.101 0.000 1.087 1222 R HN 0.329 nan 8.270 nan 0.000 0.515 1223 D N -0.459 119.982 120.400 0.068 0.000 3.321 1223 D HA -0.320 4.321 4.640 0.001 0.000 0.178 1223 D C 0.193 176.597 176.300 0.173 0.000 1.208 1223 D CA 2.038 56.065 54.000 0.046 0.000 1.074 1223 D CB -0.552 40.205 40.800 -0.072 0.000 0.560 1223 D HN 0.118 nan 8.370 nan 0.000 0.618 1224 F N 0.000 119.948 119.950 -0.003 0.000 2.286 1224 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1224 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 1224 F CB 0.000 38.997 39.000 -0.004 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574