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 1ea0_1_B DATA FIRST_RESID 1 DATA SEQUENCE CGVGFIAAID GKPRRSVVEK GIEALKAVWH RGAVDADGKT GDGAGIHVAV DATA SEQUENCE PQKFFKDHVK VIGHRAPDNK LAVGQVFLPR ISLDAQEACR CIVETEILAF DATA SEQUENCE GYYIYGWRQV PINVDIIGEK ANATRPEIEQ IIVGNNKGVS DEQFELDLYI DATA SEQUENCE IRRRIEKAVK GEQINDFYIC SLSARSIIYK GMFLAEQLTT FYPDLLDERF DATA SEQUENCE ESDFAIYHQR YSTNTFPTWP LAQPFRMLAH NGEINTVKGN VNWMKAHETR DATA SEQUENCE MEHPAFGTHM QDLKPVIGVG LSDSGSLDTV FEVMVRAGRT APMVKMMLVP DATA SEQUENCE QALTXXXTTP DNHKALIQYC NSVMEPWDGP AALAMTDGRW VVGGMDRNGL DATA SEQUENCE RPMRYTITTD GLIIGGSETG MVKIDETQVI EKGRLGPGEM IAVDLQSGKL DATA SEQUENCE YRDRELKDHL ATLKPWDKWV QNTTHLDELV KTASLKGEPS DMDKAELRRR DATA SEQUENCE QQAFGLTMED MELILHPMVE DGKEAIGSMG DDSPIAVLSD KYRGLHHFFR DATA SEQUENCE QNFSQVTNPP IDSLRERRVM SLKTRLGNLG NILDEDETQT RLLQLESPVL DATA SEQUENCE TTAEFRAMRD YMGDTAAEID ATFPVDGGPE ALRDALRRIR QETEDAVRGG DATA SEQUENCE ATHVILTDEA MGPARAAIPA ILATGAVHTH LIRSNLRTFT SLNVRTAEGL DATA SEQUENCE DTHYFAVLIG VGATTVNAYL AQEAIAERHR RGLFGSMPLE KGMANYKKAI DATA SEQUENCE DDGLLKIMSK MGISVISSYR GGGNFEAIGL SRALVAEHFP AMVSRISGIG DATA SEQUENCE LNGIQKKVLE QHATAYNEEV VALPVGGFYR FRKSGDRHGW EGGVIHTLQQ DATA SEQUENCE AVTNDSYTTF KKYSEQVNKR PPMQLRDLLE LRSTKAPVPV DEVESITAIR DATA SEQUENCE KRFITPGMSM GALSPEAHGT LNVAMNRIGA KSDSGEGGED PARFRPDKNG DATA SEQUENCE DNWNSAIKQV ASGRFGVTAE YLNQCRELEI KVAQGAKPGE GGQLPGFKVT DATA SEQUENCE EMIARLRHST PGVMLISPPP HHDIYSIEDL AQLIYDLKQI NPDAKVTVKL DATA SEQUENCE VSRSGIGTIA AGVAKANADI ILISGNSGGT GASPQTSIKF AGLPWEMGLS DATA SEQUENCE EVHQVLTLNR LRHRVRLRTD GGLKTGRDIV IAAMLGAEEF GIGTASLIAM DATA SEQUENCE GCIMVRQCHS NTCPVGVCVQ DDKLRQKFVG TPEKVVNLFT FLAEEVREIL DATA SEQUENCE AGLGFRSLNE VIGRTDLLHQ VXXXXXXXXD LDLNPRLAQV DPGXXXXXXX DATA SEQUENCE XXGRNEVPDT LDARIVADAR PLFEEGEKMQ LAYNARNTQR AIGTRLSSMV DATA SEQUENCE TRKFGMFGLQ PGHITIRLRG TAGQSLGAFA VQGIKLEVMG DANDYVGKGL DATA SEQUENCE SGGTIVVRPT TSSPLETNKN TIIGNTVLYG ATAGKLFAAG QAGERFAVRN DATA SEQUENCE SGATVVVEGC GSNGCEYMTG GTAVILGRVG DNFAAGMTGG MAYVYDLDDS DATA SEQUENCE LPLYINDESV IFQRIEVGHY ESQLKHLIEE HVTETQSRFA AEILNDWARE DATA SEQUENCE VTKFWQVVPK EMLNRLEVPV HL 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 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.941 174.990 -0.081 0.000 1.270 1 C CA 0.000 58.988 59.018 -0.049 0.000 1.963 1 C CB 0.000 27.754 27.740 0.023 0.000 2.134 2 G N 0.544 109.228 108.800 -0.194 0.000 2.355 2 G HA2 0.728 4.688 3.960 -0.000 0.000 0.296 2 G HA3 0.728 4.688 3.960 -0.000 0.000 0.296 2 G C -1.799 172.981 174.900 -0.201 0.000 1.507 2 G CA 0.063 45.092 45.100 -0.119 0.000 0.823 2 G HN 1.490 nan 8.290 nan 0.000 0.569 3 V N -1.177 118.669 119.914 -0.112 0.000 3.159 3 V HA 1.066 5.186 4.120 -0.000 0.000 0.308 3 V C 0.546 176.488 176.094 -0.253 0.000 1.190 3 V CA -0.148 62.069 62.300 -0.137 0.000 1.037 3 V CB 1.474 33.293 31.823 -0.007 0.000 1.060 3 V HN 2.167 nan 8.190 nan 0.000 0.437 4 G N 0.494 108.919 108.800 -0.626 0.000 2.559 4 G HA2 0.862 4.822 3.960 -0.000 0.000 0.291 4 G HA3 0.862 4.822 3.960 -0.000 0.000 0.291 4 G C -1.781 172.743 174.900 -0.627 0.000 1.424 4 G CA -0.249 44.377 45.100 -0.790 0.000 0.786 4 G HN 1.690 nan 8.290 nan 0.000 0.485 5 F N -1.610 118.184 119.950 -0.259 0.000 2.741 5 F HA 0.851 5.378 4.527 -0.000 0.000 0.311 5 F C -1.568 174.306 175.800 0.123 0.000 1.149 5 F CA -1.577 56.400 58.000 -0.039 0.000 0.930 5 F CB 1.196 40.168 39.000 -0.046 0.000 1.312 5 F HN 0.551 nan 8.300 nan 0.000 0.450 6 I N 1.564 122.334 120.570 0.334 0.000 2.827 6 I HA 0.814 4.984 4.170 -0.000 0.000 0.298 6 I C -1.110 175.181 176.117 0.289 0.000 1.235 6 I CA -1.219 60.211 61.300 0.216 0.000 1.021 6 I CB 2.126 40.224 38.000 0.162 0.000 1.259 6 I HN 1.102 nan 8.210 nan 0.000 0.427 7 A N 3.283 126.235 122.820 0.219 0.000 2.547 7 A HA 0.867 5.187 4.320 -0.000 0.000 0.297 7 A C -1.092 176.564 177.584 0.121 0.000 1.056 7 A CA -0.591 51.564 52.037 0.197 0.000 0.688 7 A CB 1.761 20.878 19.000 0.194 0.000 1.282 7 A HN 0.854 nan 8.150 nan 0.000 0.400 8 A N 1.760 124.642 122.820 0.102 0.000 2.309 8 A HA 0.569 4.889 4.320 -0.000 0.000 0.290 8 A C 0.903 178.514 177.584 0.045 0.000 1.206 8 A CA -0.466 51.609 52.037 0.064 0.000 0.850 8 A CB -0.384 18.651 19.000 0.057 0.000 1.118 8 A HN 0.817 nan 8.150 nan 0.000 0.523 9 I N 1.418 122.008 120.570 0.034 0.000 2.286 9 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 9 I C 1.765 177.883 176.117 0.002 0.000 1.115 9 I CA 1.883 63.194 61.300 0.017 0.000 1.392 9 I CB -0.307 37.703 38.000 0.016 0.000 1.065 9 I HN 0.856 nan 8.210 nan 0.000 0.418 10 D N 0.492 120.895 120.400 0.007 0.000 2.371 10 D HA -0.009 4.631 4.640 -0.000 0.000 0.221 10 D C 1.617 177.913 176.300 -0.006 0.000 0.986 10 D CA 0.955 54.953 54.000 -0.002 0.000 0.899 10 D CB -0.143 40.660 40.800 0.003 0.000 0.902 10 D HN 0.415 nan 8.370 nan 0.000 0.530 11 G N -0.269 108.531 108.800 0.002 0.000 2.217 11 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.246 11 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.246 11 G C 0.149 175.063 174.900 0.024 0.000 0.990 11 G CA 0.161 45.262 45.100 0.002 0.000 0.627 11 G HN 0.480 nan 8.290 nan 0.000 0.522 12 K N 1.615 122.029 120.400 0.023 0.000 2.234 12 K HA 0.464 4.784 4.320 -0.000 0.000 0.282 12 K C -2.442 174.179 176.600 0.035 0.000 1.039 12 K CA -1.809 54.494 56.287 0.027 0.000 0.928 12 K CB 1.233 33.745 32.500 0.018 0.000 1.039 12 K HN 0.058 nan 8.250 nan 0.000 0.470 13 P HA 0.038 nan 4.420 nan 0.000 0.268 13 P C -0.846 176.469 177.300 0.025 0.000 1.208 13 P CA 0.148 63.268 63.100 0.034 0.000 0.777 13 P CB 0.635 32.352 31.700 0.029 0.000 0.875 14 R N 1.026 121.539 120.500 0.021 0.000 2.680 14 R HA 0.318 4.658 4.340 -0.000 0.000 0.269 14 R C 0.645 176.954 176.300 0.015 0.000 1.026 14 R CA -0.866 55.245 56.100 0.018 0.000 0.889 14 R CB 1.421 31.733 30.300 0.019 0.000 1.241 14 R HN 0.206 nan 8.270 nan 0.000 0.463 15 R N 0.977 121.486 120.500 0.016 0.000 2.119 15 R HA -0.049 4.291 4.340 -0.000 0.000 0.222 15 R C 1.525 177.828 176.300 0.006 0.000 1.088 15 R CA 2.289 58.399 56.100 0.017 0.000 0.984 15 R CB -0.168 30.144 30.300 0.021 0.000 0.884 15 R HN 0.705 nan 8.270 nan 0.000 0.447 16 S N -0.402 115.301 115.700 0.005 0.000 2.383 16 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 16 S C 2.007 176.605 174.600 -0.003 0.000 1.030 16 S CA 1.399 59.598 58.200 -0.001 0.000 1.002 16 S CB -0.856 62.346 63.200 0.002 0.000 0.829 16 S HN 0.115 nan 8.310 nan 0.000 0.467 17 V N 1.551 121.469 119.914 0.006 0.000 2.380 17 V HA -0.150 3.969 4.120 -0.000 0.000 0.251 17 V C 2.554 178.644 176.094 -0.008 0.000 1.063 17 V CA 1.778 64.084 62.300 0.010 0.000 1.055 17 V CB -0.759 31.072 31.823 0.014 0.000 0.657 17 V HN 0.498 nan 8.190 nan 0.000 0.455 18 V N -0.704 119.199 119.914 -0.018 0.000 2.535 18 V HA -0.116 4.004 4.120 -0.000 0.000 0.246 18 V C 2.328 178.391 176.094 -0.053 0.000 1.045 18 V CA 1.337 63.618 62.300 -0.032 0.000 1.058 18 V CB -0.447 31.364 31.823 -0.019 0.000 0.689 18 V HN 0.577 nan 8.190 nan 0.000 0.461 19 E N 0.617 120.790 120.200 -0.044 0.000 2.038 19 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 19 E C 2.249 178.808 176.600 -0.070 0.000 1.000 19 E CA 1.449 57.815 56.400 -0.056 0.000 0.803 19 E CB -0.219 29.458 29.700 -0.039 0.000 0.750 19 E HN 0.566 nan 8.360 nan 0.000 0.448 20 K N 0.274 120.640 120.400 -0.056 0.000 2.044 20 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 20 K C 2.344 178.857 176.600 -0.145 0.000 1.049 20 K CA 1.322 57.564 56.287 -0.075 0.000 0.927 20 K CB -0.523 31.954 32.500 -0.040 0.000 0.713 20 K HN 0.190 nan 8.250 nan 0.000 0.443 21 G N 1.795 110.514 108.800 -0.135 0.000 2.469 21 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 21 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 21 G C 1.533 176.229 174.900 -0.340 0.000 1.150 21 G CA 1.001 45.932 45.100 -0.281 0.000 0.763 21 G HN 0.176 nan 8.290 nan 0.000 0.561 22 I N 0.380 120.842 120.570 -0.179 0.000 2.163 22 I HA -0.195 3.975 4.170 -0.000 0.000 0.243 22 I C 2.652 178.670 176.117 -0.166 0.000 1.085 22 I CA 1.582 62.794 61.300 -0.147 0.000 1.347 22 I CB -0.347 37.589 38.000 -0.106 0.000 1.044 22 I HN 0.325 nan 8.210 nan 0.000 0.408 23 E N 1.210 121.317 120.200 -0.155 0.000 2.086 23 E HA -0.308 4.042 4.350 -0.000 0.000 0.200 23 E C 2.216 178.724 176.600 -0.153 0.000 1.012 23 E CA 1.703 58.029 56.400 -0.124 0.000 0.812 23 E CB -0.049 29.593 29.700 -0.096 0.000 0.743 23 E HN 0.502 nan 8.360 nan 0.000 0.453 24 A N 1.419 124.078 122.820 -0.268 0.000 1.842 24 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 24 A C 2.222 179.663 177.584 -0.240 0.000 1.206 24 A CA 1.664 53.511 52.037 -0.317 0.000 0.630 24 A CB -1.129 17.428 19.000 -0.738 0.000 0.839 24 A HN 0.386 nan 8.150 nan 0.000 0.447 25 L N -0.926 120.105 121.223 -0.320 0.000 2.468 25 L HA -0.236 4.104 4.340 -0.000 0.000 0.225 25 L C 2.126 178.984 176.870 -0.019 0.000 1.139 25 L CA 1.482 56.263 54.840 -0.099 0.000 0.792 25 L CB -0.431 41.592 42.059 -0.059 0.000 0.916 25 L HN 0.452 nan 8.230 nan 0.000 0.446 26 K N -0.497 119.883 120.400 -0.034 0.000 2.393 26 K HA 0.159 4.479 4.320 -0.000 0.000 0.193 26 K C 0.910 177.594 176.600 0.140 0.000 1.026 26 K CA 0.306 56.620 56.287 0.045 0.000 1.064 26 K CB 0.429 32.933 32.500 0.006 0.000 0.833 26 K HN 0.181 nan 8.250 nan 0.000 0.521 27 A N 1.139 123.966 122.820 0.013 0.000 3.041 27 A HA 0.214 4.534 4.320 -0.000 0.000 0.307 27 A C 0.534 177.895 177.584 -0.371 0.000 1.116 27 A CA -0.420 51.535 52.037 -0.137 0.000 1.001 27 A CB -0.079 18.846 19.000 -0.127 0.000 1.112 27 A HN 0.094 nan 8.150 nan 0.000 0.556 28 V N -4.634 115.091 119.914 -0.314 0.000 3.392 28 V HA 0.116 4.236 4.120 -0.000 0.000 0.285 28 V C 1.439 177.371 176.094 -0.270 0.000 1.582 28 V CA 0.373 62.487 62.300 -0.310 0.000 1.034 28 V CB -1.328 30.462 31.823 -0.056 0.000 0.846 28 V HN 0.812 nan 8.190 nan 0.000 0.431 29 W N 2.823 124.024 121.300 -0.164 0.000 2.387 29 W HA -0.161 4.499 4.660 -0.000 0.000 0.272 29 W C 2.042 178.561 176.519 0.000 0.000 1.224 29 W CA 1.470 58.765 57.345 -0.084 0.000 1.210 29 W CB -1.893 27.510 29.460 -0.095 0.000 1.125 29 W HN 0.763 nan 8.180 nan 0.000 0.572 30 H N 0.806 119.328 119.070 -0.913 0.000 2.456 30 H HA 0.097 4.653 4.556 -0.000 0.000 0.296 30 H C 1.218 176.352 175.328 -0.324 0.000 1.079 30 H CA 0.980 56.587 56.048 -0.735 0.000 1.322 30 H CB -0.639 28.556 29.762 -0.945 0.000 1.388 30 H HN 0.104 nan 8.280 nan 0.000 0.538 31 R N 1.504 122.083 120.500 0.131 0.000 2.555 31 R HA 0.257 4.597 4.340 -0.000 0.000 0.272 31 R C -0.012 176.340 176.300 0.087 0.000 1.089 31 R CA 0.149 56.264 56.100 0.025 0.000 1.126 31 R CB 0.964 31.301 30.300 0.062 0.000 1.250 31 R HN 0.366 nan 8.270 nan 0.000 0.551 32 G N -0.608 108.215 108.800 0.039 0.000 2.725 32 G HA2 0.575 4.535 3.960 -0.000 0.000 0.288 32 G HA3 0.575 4.535 3.960 -0.000 0.000 0.288 32 G C -1.479 173.330 174.900 -0.151 0.000 1.399 32 G CA -0.775 44.264 45.100 -0.102 0.000 0.859 32 G HN 0.145 nan 8.290 nan 0.000 0.479 33 A N -0.118 122.467 122.820 -0.393 0.000 2.354 33 A HA 0.559 4.879 4.320 -0.000 0.000 0.281 33 A C 0.620 178.122 177.584 -0.137 0.000 1.174 33 A CA -0.092 51.816 52.037 -0.214 0.000 0.828 33 A CB 0.248 19.086 19.000 -0.270 0.000 1.099 33 A HN 2.031 nan 8.150 nan 0.000 0.516 34 V N 1.371 121.254 119.914 -0.052 0.000 2.607 34 V HA 0.414 4.534 4.120 -0.000 0.000 0.289 34 V C -0.125 175.938 176.094 -0.051 0.000 1.053 34 V CA -0.764 61.515 62.300 -0.036 0.000 0.996 34 V CB 1.308 33.137 31.823 0.010 0.000 0.995 34 V HN 0.801 nan 8.190 nan 0.000 0.476 35 D N 2.968 123.330 120.400 -0.062 0.000 2.193 35 D HA 0.538 5.178 4.640 -0.000 0.000 0.249 35 D C 0.902 177.176 176.300 -0.044 0.000 1.034 35 D CA 0.304 54.269 54.000 -0.058 0.000 0.902 35 D CB 2.344 43.102 40.800 -0.070 0.000 1.182 35 D HN 0.825 nan 8.370 nan 0.000 0.436 36 A N 2.365 125.163 122.820 -0.037 0.000 2.015 36 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 36 A C 1.591 179.154 177.584 -0.035 0.000 1.163 36 A CA 1.550 53.568 52.037 -0.031 0.000 0.646 36 A CB -0.181 18.804 19.000 -0.025 0.000 0.806 36 A HN 0.676 nan 8.150 nan 0.000 0.448 37 D N -1.124 119.253 120.400 -0.039 0.000 2.264 37 D HA 0.099 4.739 4.640 -0.000 0.000 0.208 37 D C 1.353 177.629 176.300 -0.040 0.000 0.966 37 D CA 1.421 55.399 54.000 -0.037 0.000 0.864 37 D CB -0.758 40.019 40.800 -0.038 0.000 0.933 37 D HN 0.862 nan 8.370 nan 0.000 0.499 38 G N 0.253 109.024 108.800 -0.049 0.000 2.162 38 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.260 38 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.260 38 G C 1.087 175.953 174.900 -0.055 0.000 0.976 38 G CA 0.778 45.844 45.100 -0.056 0.000 0.655 38 G HN 0.538 nan 8.290 nan 0.000 0.533 39 K N -1.659 118.710 120.400 -0.051 0.000 2.631 39 K HA 0.178 4.498 4.320 -0.000 0.000 0.200 39 K C 0.855 177.418 176.600 -0.061 0.000 1.481 39 K CA 0.500 56.762 56.287 -0.042 0.000 1.087 39 K CB 0.614 33.101 32.500 -0.021 0.000 1.502 39 K HN 0.117 nan 8.250 nan 0.000 0.560 40 T N 1.470 115.980 114.554 -0.074 0.000 2.751 40 T HA 0.325 4.675 4.350 -0.000 0.000 0.290 40 T C 0.002 174.613 174.700 -0.148 0.000 0.919 40 T CA 0.041 62.078 62.100 -0.106 0.000 1.136 40 T CB 0.478 69.288 68.868 -0.096 0.000 0.875 40 T HN 0.336 nan 8.240 nan 0.000 0.532 41 G N 2.507 111.188 108.800 -0.199 0.000 2.685 41 G HA2 0.375 4.335 3.960 -0.000 0.000 0.298 41 G HA3 0.375 4.335 3.960 -0.000 0.000 0.298 41 G C 0.313 175.034 174.900 -0.298 0.000 1.277 41 G CA -0.535 44.419 45.100 -0.243 0.000 0.986 41 G HN 0.563 nan 8.290 nan 0.000 0.487 42 D N -0.719 119.509 120.400 -0.288 0.000 2.277 42 D HA 0.213 4.853 4.640 -0.000 0.000 0.209 42 D C 1.014 177.125 176.300 -0.315 0.000 0.970 42 D CA 1.319 55.161 54.000 -0.264 0.000 0.874 42 D CB 0.933 41.619 40.800 -0.190 0.000 0.982 42 D HN 0.654 nan 8.370 nan 0.000 0.504 43 G N 0.152 108.739 108.800 -0.356 0.000 2.318 43 G HA2 0.466 4.426 3.960 -0.000 0.000 0.306 43 G HA3 0.466 4.426 3.960 -0.000 0.000 0.306 43 G C -1.746 172.946 174.900 -0.346 0.000 1.696 43 G CA -0.068 44.785 45.100 -0.412 0.000 0.905 43 G HN 0.265 nan 8.290 nan 0.000 0.700 44 A N 0.027 122.546 122.820 -0.501 0.000 2.594 44 A HA 1.139 5.459 4.320 -0.000 0.000 0.291 44 A C 0.046 177.543 177.584 -0.146 0.000 1.105 44 A CA -0.052 51.825 52.037 -0.267 0.000 0.694 44 A CB 1.886 20.704 19.000 -0.303 0.000 1.291 44 A HN 2.517 nan 8.150 nan 0.000 0.410 45 G N -0.800 108.059 108.800 0.097 0.000 2.547 45 G HA2 0.590 4.550 3.960 -0.000 0.000 0.291 45 G HA3 0.590 4.550 3.960 -0.000 0.000 0.291 45 G C -1.840 173.223 174.900 0.271 0.000 1.471 45 G CA -0.056 45.176 45.100 0.221 0.000 0.798 45 G HN 1.419 nan 8.290 nan 0.000 0.504 46 I N -0.248 120.507 120.570 0.308 0.000 2.730 46 I HA 0.696 4.866 4.170 -0.000 0.000 0.298 46 I C -1.514 174.793 176.117 0.318 0.000 1.089 46 I CA -1.142 60.335 61.300 0.294 0.000 1.041 46 I CB 2.478 40.609 38.000 0.219 0.000 1.235 46 I HN 0.678 nan 8.210 nan 0.000 0.423 47 H N 7.128 126.308 119.070 0.183 0.000 2.860 47 H HA 0.624 5.180 4.556 -0.000 0.000 0.312 47 H C -1.641 173.743 175.328 0.093 0.000 0.995 47 H CA -0.492 55.660 56.048 0.173 0.000 1.311 47 H CB 0.992 30.869 29.762 0.192 0.000 1.478 47 H HN 0.476 nan 8.280 nan 0.000 0.508 48 V N 1.769 121.857 119.914 0.291 0.000 3.145 48 V HA 0.919 5.039 4.120 -0.000 0.000 0.311 48 V C 0.164 176.214 176.094 -0.072 0.000 1.238 48 V CA -0.895 61.324 62.300 -0.136 0.000 1.066 48 V CB 0.944 32.734 31.823 -0.055 0.000 1.144 48 V HN 0.868 nan 8.190 nan 0.000 0.465 49 A N 0.583 123.242 122.820 -0.268 0.000 2.440 49 A HA 0.594 4.914 4.320 -0.000 0.000 0.251 49 A C 0.149 177.743 177.584 0.018 0.000 1.089 49 A CA -0.280 51.764 52.037 0.011 0.000 0.779 49 A CB -0.007 19.005 19.000 0.020 0.000 1.022 49 A HN 1.361 nan 8.150 nan 0.000 0.492 50 V N 4.452 124.378 119.914 0.020 0.000 2.557 50 V HA 0.150 4.270 4.120 -0.000 0.000 0.301 50 V C -2.003 174.069 176.094 -0.037 0.000 1.026 50 V CA -0.468 61.813 62.300 -0.032 0.000 1.137 50 V CB 0.252 32.004 31.823 -0.118 0.000 0.917 50 V HN 0.811 nan 8.190 nan 0.000 0.484 51 P HA 0.294 nan 4.420 nan 0.000 0.284 51 P C 0.316 177.649 177.300 0.055 0.000 1.432 51 P CA -0.500 62.515 63.100 -0.141 0.000 0.929 51 P CB 1.063 32.418 31.700 -0.575 0.000 1.158 52 Q N 2.210 122.043 119.800 0.056 0.000 2.224 52 Q HA -0.137 4.202 4.340 -0.000 0.000 0.203 52 Q C 1.268 177.317 176.000 0.081 0.000 0.970 52 Q CA 1.425 57.283 55.803 0.091 0.000 0.865 52 Q CB -0.148 28.621 28.738 0.053 0.000 0.922 52 Q HN 0.554 nan 8.270 nan 0.000 0.445 53 K N 0.392 120.821 120.400 0.049 0.000 1.973 53 K HA -0.151 4.169 4.320 -0.000 0.000 0.212 53 K C 1.932 178.555 176.600 0.038 0.000 1.047 53 K CA 1.342 57.650 56.287 0.036 0.000 0.937 53 K CB -0.447 32.072 32.500 0.031 0.000 0.721 53 K HN 0.029 nan 8.250 nan 0.000 0.440 54 F N 0.920 120.782 119.950 -0.147 0.000 2.063 54 F HA -0.296 4.231 4.527 -0.000 0.000 0.298 54 F C 1.933 177.575 175.800 -0.264 0.000 1.105 54 F CA 1.701 59.551 58.000 -0.250 0.000 1.215 54 F CB -0.247 38.470 39.000 -0.472 0.000 0.972 54 F HN -0.059 nan 8.300 nan 0.000 0.483 55 F N 0.333 120.338 119.950 0.093 0.000 2.234 55 F HA -0.066 4.461 4.527 -0.000 0.000 0.296 55 F C 2.260 178.024 175.800 -0.060 0.000 1.089 55 F CA 1.297 59.299 58.000 0.004 0.000 1.343 55 F CB -0.573 38.422 39.000 -0.008 0.000 1.040 55 F HN -0.170 nan 8.300 nan 0.000 0.498 56 K N 0.139 120.592 120.400 0.089 0.000 2.002 56 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 56 K C 1.555 178.144 176.600 -0.018 0.000 1.048 56 K CA 1.739 58.033 56.287 0.012 0.000 0.930 56 K CB -0.433 32.076 32.500 0.014 0.000 0.714 56 K HN 0.095 nan 8.250 nan 0.000 0.438 57 D N -0.035 120.333 120.400 -0.054 0.000 2.228 57 D HA -0.188 4.452 4.640 -0.000 0.000 0.203 57 D C 1.752 177.979 176.300 -0.122 0.000 0.988 57 D CA 1.279 55.222 54.000 -0.094 0.000 0.864 57 D CB -0.222 40.487 40.800 -0.152 0.000 0.928 57 D HN 0.370 nan 8.370 nan 0.000 0.469 58 H N -0.165 118.765 119.070 -0.232 0.000 2.333 58 H HA 0.035 4.591 4.556 -0.000 0.000 0.302 58 H C 1.992 177.269 175.328 -0.085 0.000 1.075 58 H CA 1.088 57.006 56.048 -0.217 0.000 1.348 58 H CB -0.183 29.421 29.762 -0.265 0.000 1.393 58 H HN -0.075 nan 8.280 nan 0.000 0.509 59 V N 0.636 120.559 119.914 0.015 0.000 2.515 59 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 59 V C 2.122 178.249 176.094 0.055 0.000 1.058 59 V CA 1.793 64.095 62.300 0.003 0.000 1.064 59 V CB -0.316 31.410 31.823 -0.162 0.000 0.675 59 V HN 0.415 nan 8.190 nan 0.000 0.461 60 K N -0.623 119.787 120.400 0.016 0.000 1.984 60 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 60 K C 1.928 178.529 176.600 0.003 0.000 1.046 60 K CA 1.604 57.913 56.287 0.037 0.000 0.934 60 K CB -0.520 31.982 32.500 0.004 0.000 0.717 60 K HN 0.314 nan 8.250 nan 0.000 0.438 61 V N 2.134 122.004 119.914 -0.074 0.000 2.736 61 V HA -0.257 3.863 4.120 -0.000 0.000 0.262 61 V C 1.944 177.991 176.094 -0.079 0.000 1.114 61 V CA 1.511 63.752 62.300 -0.099 0.000 1.133 61 V CB -0.567 31.157 31.823 -0.165 0.000 0.703 61 V HN 0.335 nan 8.190 nan 0.000 0.495 62 I N -0.608 119.934 120.570 -0.046 0.000 3.228 62 I HA 0.194 4.364 4.170 -0.000 0.000 0.279 62 I C 1.591 177.761 176.117 0.089 0.000 1.221 62 I CA 1.177 62.492 61.300 0.025 0.000 1.458 62 I CB 0.118 38.184 38.000 0.110 0.000 1.105 62 I HN 0.517 nan 8.210 nan 0.000 0.445 63 G N 0.914 109.783 108.800 0.114 0.000 2.186 63 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.130 63 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.130 63 G C -0.252 174.682 174.900 0.057 0.000 1.031 63 G CA -0.543 44.596 45.100 0.064 0.000 0.697 63 G HN 0.358 nan 8.290 nan 0.000 0.494 64 H N -0.696 118.434 119.070 0.101 0.000 2.748 64 H HA 0.826 5.382 4.556 -0.000 0.000 0.315 64 H C 0.547 175.948 175.328 0.122 0.000 1.429 64 H CA -0.499 55.640 56.048 0.152 0.000 1.444 64 H CB 1.012 30.963 29.762 0.314 0.000 1.827 64 H HN 0.293 nan 8.280 nan 0.000 0.754 65 R N 0.536 121.213 120.500 0.296 0.000 2.514 65 R HA 0.667 5.007 4.340 -0.000 0.000 0.301 65 R C -1.098 175.322 176.300 0.200 0.000 0.962 65 R CA -0.980 55.227 56.100 0.177 0.000 0.882 65 R CB 1.030 31.397 30.300 0.112 0.000 1.143 65 R HN 0.720 nan 8.270 nan 0.000 0.452 66 A N 5.675 128.570 122.820 0.124 0.000 2.488 66 A HA 0.330 4.650 4.320 -0.000 0.000 0.249 66 A C -2.106 175.536 177.584 0.097 0.000 1.083 66 A CA -1.104 50.989 52.037 0.093 0.000 0.768 66 A CB -0.074 18.956 19.000 0.050 0.000 1.017 66 A HN 0.607 nan 8.150 nan 0.000 0.496 67 P HA 0.216 nan 4.420 nan 0.000 0.273 67 P C -0.383 176.954 177.300 0.062 0.000 1.250 67 P CA -0.153 63.007 63.100 0.100 0.000 0.793 67 P CB 0.534 32.310 31.700 0.127 0.000 1.011 68 D N -1.694 118.735 120.400 0.048 0.000 2.277 68 D HA -0.033 4.607 4.640 -0.000 0.000 0.209 68 D C 0.679 177.000 176.300 0.035 0.000 0.970 68 D CA 0.670 54.691 54.000 0.035 0.000 0.874 68 D CB -0.595 40.221 40.800 0.026 0.000 0.982 68 D HN 0.413 nan 8.370 nan 0.000 0.504 69 N N 0.892 119.614 118.700 0.036 0.000 2.374 69 N HA 0.093 4.833 4.740 -0.000 0.000 0.284 69 N C -0.274 175.268 175.510 0.054 0.000 1.280 69 N CA -0.347 52.725 53.050 0.037 0.000 0.963 69 N CB 0.411 38.907 38.487 0.016 0.000 1.141 69 N HN -0.157 nan 8.380 nan 0.000 0.565 70 K N -1.055 119.389 120.400 0.074 0.000 2.098 70 K HA 0.386 4.706 4.320 -0.000 0.000 0.261 70 K C -0.682 175.997 176.600 0.133 0.000 0.987 70 K CA -0.772 55.569 56.287 0.091 0.000 0.916 70 K CB 0.886 33.448 32.500 0.103 0.000 1.039 70 K HN 0.282 nan 8.250 nan 0.000 0.455 71 L N 1.282 122.552 121.223 0.079 0.000 2.352 71 L HA 0.593 4.933 4.340 -0.000 0.000 0.269 71 L C -0.868 175.996 176.870 -0.009 0.000 1.034 71 L CA -0.105 54.760 54.840 0.043 0.000 0.806 71 L CB 1.583 43.608 42.059 -0.056 0.000 1.244 71 L HN 0.817 nan 8.230 nan 0.000 0.447 72 A N 2.720 125.500 122.820 -0.067 0.000 2.401 72 A HA 0.826 5.146 4.320 -0.000 0.000 0.310 72 A C -1.525 175.839 177.584 -0.367 0.000 1.075 72 A CA -0.526 51.365 52.037 -0.243 0.000 0.746 72 A CB 1.605 20.390 19.000 -0.359 0.000 1.277 72 A HN 0.421 nan 8.150 nan 0.000 0.425 73 V N 0.646 120.285 119.914 -0.459 0.000 2.680 73 V HA 0.782 4.902 4.120 -0.000 0.000 0.309 73 V C 0.649 176.500 176.094 -0.404 0.000 1.052 73 V CA -0.274 61.720 62.300 -0.510 0.000 0.908 73 V CB 1.956 33.348 31.823 -0.719 0.000 1.001 73 V HN 1.243 nan 8.190 nan 0.000 0.431 74 G N 1.767 110.344 108.800 -0.372 0.000 2.379 74 G HA2 0.594 4.554 3.960 -0.000 0.000 0.327 74 G HA3 0.594 4.554 3.960 -0.000 0.000 0.327 74 G C -0.968 173.753 174.900 -0.298 0.000 1.145 74 G CA -0.454 44.451 45.100 -0.324 0.000 0.905 74 G HN 0.644 nan 8.290 nan 0.000 0.466 75 Q N 0.985 120.603 119.800 -0.303 0.000 2.357 75 Q HA 0.522 4.862 4.340 -0.000 0.000 0.266 75 Q C -0.876 174.936 176.000 -0.314 0.000 1.021 75 Q CA -0.707 54.916 55.803 -0.299 0.000 0.784 75 Q CB 1.743 30.253 28.738 -0.379 0.000 1.243 75 Q HN 0.734 nan 8.270 nan 0.000 0.465 76 V N 3.571 123.393 119.914 -0.153 0.000 2.823 76 V HA 0.732 4.852 4.120 -0.000 0.000 0.312 76 V C -1.765 174.410 176.094 0.136 0.000 1.072 76 V CA -0.655 61.566 62.300 -0.132 0.000 0.937 76 V CB 1.610 33.413 31.823 -0.033 0.000 1.013 76 V HN 0.642 nan 8.190 nan 0.000 0.430 77 F N 5.630 125.524 119.950 -0.093 0.000 2.444 77 F HA 0.776 5.303 4.527 -0.000 0.000 0.342 77 F C -0.012 175.766 175.800 -0.035 0.000 1.121 77 F CA -1.350 56.643 58.000 -0.012 0.000 0.997 77 F CB 1.471 40.511 39.000 0.067 0.000 1.130 77 F HN 0.454 nan 8.300 nan 0.000 0.454 78 L N 4.229 125.579 121.223 0.213 0.000 2.303 78 L HA 0.635 4.975 4.340 -0.000 0.000 0.266 78 L C -2.454 174.490 176.870 0.124 0.000 1.011 78 L CA -2.391 52.580 54.840 0.218 0.000 0.818 78 L CB 1.823 43.995 42.059 0.188 0.000 1.326 78 L HN 0.313 nan 8.230 nan 0.000 0.435 79 P HA 0.073 nan 4.420 nan 0.000 0.269 79 P C -0.469 176.847 177.300 0.026 0.000 1.209 79 P CA -0.092 63.051 63.100 0.072 0.000 0.776 79 P CB 0.601 32.348 31.700 0.079 0.000 0.876 80 R N 2.694 123.188 120.500 -0.010 0.000 2.487 80 R HA 0.313 4.653 4.340 -0.000 0.000 0.272 80 R C 0.940 177.227 176.300 -0.021 0.000 0.928 80 R CA 0.227 56.310 56.100 -0.029 0.000 1.077 80 R CB 0.072 30.328 30.300 -0.073 0.000 1.265 80 R HN 0.332 nan 8.270 nan 0.000 0.537 81 I N 0.425 120.988 120.570 -0.012 0.000 3.941 81 I HA 0.120 4.290 4.170 -0.000 0.000 0.321 81 I C 0.128 176.242 176.117 -0.004 0.000 1.284 81 I CA 0.158 61.453 61.300 -0.008 0.000 1.226 81 I CB 1.024 39.021 38.000 -0.006 0.000 1.045 81 I HN 0.059 nan 8.210 nan 0.000 0.420 82 S N 1.128 116.827 115.700 -0.001 0.000 2.601 82 S HA 0.357 4.827 4.470 -0.000 0.000 0.312 82 S C 1.025 175.621 174.600 -0.007 0.000 1.107 82 S CA -0.616 57.584 58.200 -0.001 0.000 1.129 82 S CB 0.537 63.740 63.200 0.004 0.000 0.982 82 S HN 0.200 nan 8.310 nan 0.000 0.469 83 L N 2.853 124.068 121.223 -0.013 0.000 2.081 83 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 83 L C 1.999 178.855 176.870 -0.024 0.000 1.080 83 L CA 1.181 56.008 54.840 -0.022 0.000 0.754 83 L CB -0.581 41.464 42.059 -0.024 0.000 0.893 83 L HN 0.513 nan 8.230 nan 0.000 0.433 84 D N 0.530 120.919 120.400 -0.018 0.000 2.106 84 D HA -0.214 4.426 4.640 -0.000 0.000 0.191 84 D C 2.233 178.520 176.300 -0.022 0.000 0.997 84 D CA 1.848 55.836 54.000 -0.019 0.000 0.834 84 D CB -0.081 40.711 40.800 -0.014 0.000 0.956 84 D HN 0.355 nan 8.370 nan 0.000 0.448 85 A N 0.715 123.528 122.820 -0.012 0.000 1.898 85 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 85 A C 2.108 179.685 177.584 -0.012 0.000 1.181 85 A CA 1.505 53.537 52.037 -0.008 0.000 0.620 85 A CB -0.609 18.398 19.000 0.012 0.000 0.819 85 A HN 0.275 nan 8.150 nan 0.000 0.442 86 Q N -0.552 119.242 119.800 -0.009 0.000 2.077 86 Q HA -0.241 4.099 4.340 -0.000 0.000 0.206 86 Q C 1.966 177.924 176.000 -0.070 0.000 0.989 86 Q CA 1.474 57.266 55.803 -0.019 0.000 0.853 86 Q CB -0.305 28.410 28.738 -0.039 0.000 0.907 86 Q HN 0.564 nan 8.270 nan 0.000 0.418 87 E N 0.771 120.924 120.200 -0.078 0.000 2.023 87 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 87 E C 2.093 178.641 176.600 -0.086 0.000 1.003 87 E CA 1.323 57.664 56.400 -0.099 0.000 0.809 87 E CB -0.461 29.194 29.700 -0.076 0.000 0.755 87 E HN 0.361 nan 8.360 nan 0.000 0.449 88 A N 0.891 123.672 122.820 -0.065 0.000 1.896 88 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 88 A C 2.753 180.278 177.584 -0.100 0.000 1.206 88 A CA 2.132 54.127 52.037 -0.069 0.000 0.647 88 A CB -1.269 17.694 19.000 -0.061 0.000 0.828 88 A HN 0.436 nan 8.150 nan 0.000 0.455 89 C N -0.289 118.946 119.300 -0.108 0.000 2.413 89 C HA -0.156 4.304 4.460 -0.000 0.000 0.277 89 C C 2.949 177.889 174.990 -0.083 0.000 1.228 89 C CA 1.312 60.230 59.018 -0.166 0.000 1.731 89 C CB -1.383 26.331 27.740 -0.042 0.000 2.042 89 C HN 0.792 nan 8.230 nan 0.000 0.468 90 R N 0.634 121.085 120.500 -0.082 0.000 2.105 90 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 90 R C 1.973 178.285 176.300 0.020 0.000 1.135 90 R CA 2.102 58.151 56.100 -0.086 0.000 0.967 90 R CB -1.397 28.591 30.300 -0.521 0.000 0.861 90 R HN 0.530 nan 8.270 nan 0.000 0.442 91 C N 1.653 120.939 119.300 -0.023 0.000 2.413 91 C HA -0.032 4.428 4.460 -0.000 0.000 0.276 91 C C 2.777 177.786 174.990 0.033 0.000 1.236 91 C CA 0.430 59.455 59.018 0.012 0.000 1.735 91 C CB -0.855 26.880 27.740 -0.009 0.000 2.031 91 C HN 0.449 nan 8.230 nan 0.000 0.474 92 I N 1.180 121.742 120.570 -0.013 0.000 2.179 92 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 92 I C 2.492 178.624 176.117 0.025 0.000 1.088 92 I CA 1.481 62.764 61.300 -0.028 0.000 1.357 92 I CB -0.920 37.006 38.000 -0.124 0.000 1.051 92 I HN 0.191 nan 8.210 nan 0.000 0.409 93 V N 0.991 120.954 119.914 0.081 0.000 2.255 93 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 93 V C 2.422 178.606 176.094 0.151 0.000 1.051 93 V CA 2.022 64.421 62.300 0.165 0.000 1.018 93 V CB -0.781 31.259 31.823 0.362 0.000 0.641 93 V HN 0.419 nan 8.190 nan 0.000 0.445 94 E N -0.024 120.304 120.200 0.213 0.000 2.017 94 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 94 E C 2.320 178.990 176.600 0.117 0.000 0.997 94 E CA 1.939 58.443 56.400 0.175 0.000 0.804 94 E CB -0.399 29.433 29.700 0.219 0.000 0.757 94 E HN 0.600 nan 8.360 nan 0.000 0.448 95 T N 1.466 116.080 114.554 0.099 0.000 2.564 95 T HA -0.238 4.112 4.350 -0.000 0.000 0.264 95 T C 1.629 176.393 174.700 0.108 0.000 1.100 95 T CA 1.739 63.891 62.100 0.087 0.000 1.171 95 T CB -0.348 68.557 68.868 0.061 0.000 0.863 95 T HN 0.164 nan 8.240 nan 0.000 0.430 96 E N 0.621 120.880 120.200 0.098 0.000 2.110 96 E HA -0.034 4.316 4.350 -0.000 0.000 0.193 96 E C 2.293 178.991 176.600 0.163 0.000 0.988 96 E CA 0.802 57.278 56.400 0.127 0.000 0.804 96 E CB -0.460 29.277 29.700 0.062 0.000 0.745 96 E HN 0.557 nan 8.360 nan 0.000 0.458 97 I N 0.770 121.403 120.570 0.105 0.000 2.394 97 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 97 I C 2.379 178.647 176.117 0.251 0.000 1.136 97 I CA 0.628 62.002 61.300 0.123 0.000 1.425 97 I CB -0.162 37.868 38.000 0.050 0.000 1.079 97 I HN 0.035 nan 8.210 nan 0.000 0.425 98 L N 0.427 121.767 121.223 0.195 0.000 2.005 98 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 98 L C 2.714 179.713 176.870 0.216 0.000 1.072 98 L CA 1.259 56.213 54.840 0.190 0.000 0.744 98 L CB -0.662 41.476 42.059 0.131 0.000 0.895 98 L HN 0.201 nan 8.230 nan 0.000 0.433 99 A N -1.011 121.937 122.820 0.214 0.000 2.234 99 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 99 A C 1.714 179.403 177.584 0.175 0.000 1.167 99 A CA 1.304 53.445 52.037 0.173 0.000 0.698 99 A CB -0.684 18.402 19.000 0.143 0.000 0.779 99 A HN 0.388 nan 8.150 nan 0.000 0.475 100 F N -0.885 119.158 119.950 0.155 0.000 2.727 100 F HA 0.339 4.866 4.527 -0.000 0.000 0.302 100 F C 1.728 177.551 175.800 0.038 0.000 1.097 100 F CA 0.274 58.378 58.000 0.174 0.000 1.330 100 F CB 0.133 39.360 39.000 0.377 0.000 1.084 100 F HN 0.337 nan 8.300 nan 0.000 0.578 101 G N 0.090 109.005 108.800 0.192 0.000 2.221 101 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.265 101 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.265 101 G C -0.040 174.860 174.900 0.000 0.000 1.041 101 G CA -0.062 45.073 45.100 0.058 0.000 0.807 101 G HN 0.333 nan 8.290 nan 0.000 0.502 102 Y N -1.627 118.800 120.300 0.211 0.000 2.453 102 Y HA 0.685 5.235 4.550 -0.000 0.000 0.344 102 Y C 0.466 176.499 175.900 0.222 0.000 1.323 102 Y CA -0.875 57.353 58.100 0.213 0.000 1.526 102 Y CB 0.665 39.284 38.460 0.266 0.000 1.603 102 Y HN 0.230 nan 8.280 nan 0.000 0.563 103 Y N 1.005 121.468 120.300 0.272 0.000 2.409 103 Y HA 0.544 5.094 4.550 -0.000 0.000 0.343 103 Y C -1.149 174.805 175.900 0.088 0.000 0.973 103 Y CA -1.598 56.566 58.100 0.107 0.000 1.064 103 Y CB 0.814 39.280 38.460 0.011 0.000 1.207 103 Y HN 0.331 nan 8.280 nan 0.000 0.452 104 I N 7.813 127.936 120.570 -0.746 0.000 2.307 104 I HA 0.091 4.260 4.170 -0.000 0.000 0.289 104 I C -0.357 175.310 176.117 -0.750 0.000 1.021 104 I CA -0.462 60.524 61.300 -0.523 0.000 1.224 104 I CB 0.886 38.716 38.000 -0.282 0.000 1.376 104 I HN 0.780 nan 8.210 nan 0.000 0.470 105 Y N 4.865 124.883 120.300 -0.472 0.000 2.439 105 Y HA 0.163 4.713 4.550 -0.000 0.000 0.292 105 Y C 1.568 177.359 175.900 -0.181 0.000 1.130 105 Y CA 0.563 58.456 58.100 -0.345 0.000 1.254 105 Y CB -0.283 38.018 38.460 -0.265 0.000 1.000 105 Y HN 0.722 nan 8.280 nan 0.000 0.554 106 G N -2.213 106.570 108.800 -0.029 0.000 2.392 106 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.677 106 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.677 106 G C -1.190 173.664 174.900 -0.075 0.000 1.334 106 G CA -1.336 43.779 45.100 0.024 0.000 0.961 106 G HN 0.064 nan 8.290 nan 0.000 0.616 107 W N -0.103 121.240 121.300 0.072 0.000 2.129 107 W HA 0.750 5.410 4.660 -0.000 0.000 0.349 107 W C 1.179 177.754 176.519 0.092 0.000 1.279 107 W CA -0.010 57.377 57.345 0.070 0.000 1.306 107 W CB 0.595 30.091 29.460 0.060 0.000 1.140 107 W HN 0.640 nan 8.180 nan 0.000 0.613 108 R N 1.906 122.586 120.500 0.300 0.000 2.695 108 R HA 0.119 4.459 4.340 -0.000 0.000 0.288 108 R C -0.820 175.596 176.300 0.194 0.000 1.344 108 R CA -0.694 55.526 56.100 0.200 0.000 1.005 108 R CB 0.806 31.130 30.300 0.040 0.000 1.233 108 R HN 0.684 nan 8.270 nan 0.000 0.442 109 Q N 3.498 123.408 119.800 0.184 0.000 2.262 109 Q HA 0.056 4.396 4.340 -0.000 0.000 0.298 109 Q C -0.830 175.246 176.000 0.126 0.000 1.083 109 Q CA 0.021 55.911 55.803 0.145 0.000 0.962 109 Q CB 0.935 29.736 28.738 0.104 0.000 1.104 109 Q HN 0.408 nan 8.270 nan 0.000 0.376 110 V N 7.612 127.603 119.914 0.127 0.000 2.508 110 V HA 0.207 4.327 4.120 -0.000 0.000 0.281 110 V C -1.921 174.229 176.094 0.093 0.000 1.041 110 V CA -1.482 60.894 62.300 0.127 0.000 1.016 110 V CB 0.676 32.578 31.823 0.131 0.000 0.984 110 V HN 0.881 nan 8.190 nan 0.000 0.478 111 P HA 0.335 nan 4.420 nan 0.000 0.267 111 P C -0.503 176.784 177.300 -0.023 0.000 1.205 111 P CA 0.259 63.378 63.100 0.033 0.000 0.765 111 P CB 0.333 32.065 31.700 0.054 0.000 0.828 112 I N -0.947 119.529 120.570 -0.157 0.000 3.004 112 I HA 0.501 4.671 4.170 -0.000 0.000 0.305 112 I C -1.328 174.572 176.117 -0.362 0.000 1.312 112 I CA -1.173 59.862 61.300 -0.441 0.000 0.992 112 I CB 2.823 40.349 38.000 -0.790 0.000 1.282 112 I HN 0.115 nan 8.210 nan 0.000 0.449 113 N N 2.997 121.462 118.700 -0.392 0.000 2.518 113 N HA 0.394 5.134 4.740 -0.000 0.000 0.254 113 N C 0.574 176.070 175.510 -0.023 0.000 0.979 113 N CA -0.776 52.185 53.050 -0.149 0.000 0.930 113 N CB 1.851 40.294 38.487 -0.073 0.000 1.152 113 N HN 0.705 nan 8.380 nan 0.000 0.505 114 V N 0.319 120.241 119.914 0.013 0.000 3.510 114 V HA 0.056 4.175 4.120 -0.000 0.000 0.270 114 V C 0.904 177.070 176.094 0.121 0.000 1.201 114 V CA 0.719 63.110 62.300 0.151 0.000 1.166 114 V CB -0.222 31.670 31.823 0.116 0.000 0.825 114 V HN 0.575 nan 8.190 nan 0.000 0.484 115 D N 2.196 122.637 120.400 0.069 0.000 2.178 115 D HA -0.024 4.615 4.640 -0.000 0.000 0.202 115 D C 1.666 178.000 176.300 0.057 0.000 0.974 115 D CA 1.829 55.859 54.000 0.049 0.000 0.841 115 D CB -0.107 40.705 40.800 0.021 0.000 0.953 115 D HN 0.783 nan 8.370 nan 0.000 0.478 116 I N -1.600 119.017 120.570 0.079 0.000 3.780 116 I HA 0.232 4.402 4.170 -0.000 0.000 0.312 116 I C 0.016 176.179 176.117 0.078 0.000 1.377 116 I CA 0.031 61.367 61.300 0.060 0.000 1.224 116 I CB -0.203 37.826 38.000 0.047 0.000 1.110 116 I HN -0.240 nan 8.210 nan 0.000 0.418 117 I N 0.737 121.367 120.570 0.100 0.000 2.892 117 I HA 0.573 4.743 4.170 -0.000 0.000 0.306 117 I C 0.639 176.799 176.117 0.071 0.000 1.078 117 I CA -0.692 60.669 61.300 0.103 0.000 1.032 117 I CB 2.351 40.479 38.000 0.212 0.000 1.229 117 I HN 0.216 nan 8.210 nan 0.000 0.435 118 G N 1.744 110.571 108.800 0.045 0.000 2.522 118 G HA2 0.264 4.224 3.960 -0.000 0.000 0.304 118 G HA3 0.264 4.224 3.960 -0.000 0.000 0.304 118 G C 0.379 175.308 174.900 0.049 0.000 1.210 118 G CA -0.171 44.944 45.100 0.026 0.000 0.960 118 G HN 0.773 nan 8.290 nan 0.000 0.497 119 E N -0.467 119.753 120.200 0.034 0.000 2.028 119 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 119 E C 2.254 178.890 176.600 0.061 0.000 0.988 119 E CA 1.060 57.488 56.400 0.047 0.000 0.799 119 E CB 0.002 29.723 29.700 0.034 0.000 0.755 119 E HN 0.343 nan 8.360 nan 0.000 0.447 120 K N 0.501 120.925 120.400 0.040 0.000 2.081 120 K HA -0.292 4.028 4.320 -0.000 0.000 0.222 120 K C 1.727 178.386 176.600 0.097 0.000 1.055 120 K CA 2.109 58.424 56.287 0.047 0.000 0.954 120 K CB -0.802 31.692 32.500 -0.010 0.000 0.732 120 K HN 0.242 nan 8.250 nan 0.000 0.458 121 A N -0.166 122.715 122.820 0.102 0.000 1.897 121 A HA -0.104 4.215 4.320 -0.000 0.000 0.215 121 A C 2.018 179.799 177.584 0.328 0.000 1.181 121 A CA 1.788 53.958 52.037 0.223 0.000 0.620 121 A CB -0.662 18.417 19.000 0.132 0.000 0.821 121 A HN 0.526 nan 8.150 nan 0.000 0.443 122 N N 0.147 118.969 118.700 0.204 0.000 2.520 122 N HA 0.004 4.744 4.740 -0.000 0.000 0.185 122 N C 1.494 177.054 175.510 0.083 0.000 1.068 122 N CA 1.265 54.405 53.050 0.150 0.000 0.911 122 N CB -0.228 38.327 38.487 0.114 0.000 0.961 122 N HN 0.370 nan 8.380 nan 0.000 0.446 123 A N -0.620 122.260 122.820 0.100 0.000 1.873 123 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 123 A C 2.061 179.675 177.584 0.050 0.000 1.186 123 A CA 1.888 53.966 52.037 0.068 0.000 0.616 123 A CB -1.144 17.905 19.000 0.082 0.000 0.823 123 A HN 0.498 nan 8.150 nan 0.000 0.442 124 T N -2.680 111.935 114.554 0.102 0.000 3.235 124 T HA 0.215 4.565 4.350 -0.000 0.000 0.251 124 T C 0.616 175.230 174.700 -0.144 0.000 1.060 124 T CA -0.387 61.754 62.100 0.069 0.000 0.949 124 T CB -0.428 68.555 68.868 0.193 0.000 1.020 124 T HN 0.325 nan 8.240 nan 0.000 0.564 125 R N 2.997 123.337 120.500 -0.267 0.000 2.421 125 R HA 0.218 4.558 4.340 -0.000 0.000 0.305 125 R C -2.182 173.721 176.300 -0.661 0.000 1.039 125 R CA -1.456 54.145 56.100 -0.832 0.000 1.003 125 R CB 0.456 30.457 30.300 -0.498 0.000 0.959 125 R HN 0.298 nan 8.270 nan 0.000 0.427 126 P HA 0.049 nan 4.420 nan 0.000 0.279 126 P C -1.120 175.995 177.300 -0.309 0.000 1.282 126 P CA -0.314 62.517 63.100 -0.449 0.000 0.788 126 P CB 0.580 31.969 31.700 -0.518 0.000 1.139 127 E N 0.185 120.316 120.200 -0.115 0.000 2.200 127 E HA 0.357 4.707 4.350 -0.000 0.000 0.283 127 E C -0.956 175.679 176.600 0.059 0.000 1.015 127 E CA -0.300 56.078 56.400 -0.037 0.000 0.819 127 E CB -0.323 29.376 29.700 -0.002 0.000 1.081 127 E HN 0.241 nan 8.360 nan 0.000 0.397 128 I N 4.594 125.221 120.570 0.095 0.000 2.312 128 I HA 0.351 4.521 4.170 -0.000 0.000 0.290 128 I C 0.093 176.332 176.117 0.204 0.000 1.008 128 I CA -0.456 60.985 61.300 0.235 0.000 1.226 128 I CB 1.021 39.204 38.000 0.305 0.000 1.371 128 I HN 0.539 nan 8.210 nan 0.000 0.468 129 E N 5.467 125.807 120.200 0.234 0.000 2.393 129 E HA 0.487 4.837 4.350 -0.000 0.000 0.273 129 E C -1.382 175.342 176.600 0.207 0.000 0.918 129 E CA -0.980 55.570 56.400 0.250 0.000 0.773 129 E CB 2.652 32.571 29.700 0.366 0.000 1.275 129 E HN 0.494 nan 8.360 nan 0.000 0.451 130 Q N 0.967 120.864 119.800 0.161 0.000 2.301 130 Q HA 0.649 4.989 4.340 -0.000 0.000 0.267 130 Q C -0.901 174.988 176.000 -0.186 0.000 1.035 130 Q CA -0.746 55.054 55.803 -0.005 0.000 0.856 130 Q CB 2.724 31.476 28.738 0.024 0.000 1.337 130 Q HN 0.465 nan 8.270 nan 0.000 0.450 131 I N 1.645 121.949 120.570 -0.444 0.000 2.498 131 I HA 0.470 4.640 4.170 -0.000 0.000 0.290 131 I C -1.480 174.349 176.117 -0.480 0.000 1.032 131 I CA -0.850 59.983 61.300 -0.779 0.000 1.073 131 I CB 1.055 38.284 38.000 -1.285 0.000 1.251 131 I HN 0.583 nan 8.210 nan 0.000 0.426 132 I N 7.597 127.958 120.570 -0.349 0.000 2.359 132 I HA 0.500 4.670 4.170 -0.000 0.000 0.294 132 I C -0.684 175.377 176.117 -0.093 0.000 0.987 132 I CA -0.837 60.330 61.300 -0.221 0.000 1.225 132 I CB 1.696 39.612 38.000 -0.139 0.000 1.366 132 I HN 0.269 nan 8.210 nan 0.000 0.466 133 V N 4.147 124.030 119.914 -0.052 0.000 2.876 133 V HA 0.761 4.881 4.120 -0.000 0.000 0.312 133 V C 0.215 176.494 176.094 0.309 0.000 1.085 133 V CA -0.478 61.886 62.300 0.107 0.000 0.945 133 V CB 2.180 33.994 31.823 -0.014 0.000 1.017 133 V HN 0.928 nan 8.190 nan 0.000 0.428 134 G N 0.887 109.995 108.800 0.512 0.000 2.481 134 G HA2 0.445 4.405 3.960 -0.000 0.000 0.315 134 G HA3 0.445 4.405 3.960 -0.000 0.000 0.315 134 G C -0.788 174.359 174.900 0.411 0.000 1.231 134 G CA -0.594 44.831 45.100 0.542 0.000 0.968 134 G HN 0.552 nan 8.290 nan 0.000 0.482 135 N N 1.038 119.811 118.700 0.121 0.000 3.229 135 N HA 0.011 4.751 4.740 -0.000 0.000 0.275 135 N C 1.368 176.858 175.510 -0.034 0.000 1.225 135 N CA -0.676 52.266 53.050 -0.180 0.000 1.119 135 N CB 0.221 38.289 38.487 -0.698 0.000 1.392 135 N HN 0.543 nan 8.380 nan 0.000 0.520 136 N N 1.861 120.601 118.700 0.068 0.000 2.309 136 N HA -0.153 4.587 4.740 -0.000 0.000 0.182 136 N C 0.660 176.123 175.510 -0.079 0.000 1.018 136 N CA 1.000 54.046 53.050 -0.007 0.000 0.876 136 N CB -0.023 38.467 38.487 0.004 0.000 0.972 136 N HN 0.394 nan 8.380 nan 0.000 0.434 137 K N 0.053 120.361 120.400 -0.154 0.000 2.504 137 K HA 0.056 4.376 4.320 -0.000 0.000 0.195 137 K C 0.642 177.177 176.600 -0.109 0.000 1.036 137 K CA 0.487 56.669 56.287 -0.175 0.000 0.984 137 K CB -0.261 32.058 32.500 -0.302 0.000 0.788 137 K HN 0.377 nan 8.250 nan 0.000 0.488 138 G N 1.840 110.580 108.800 -0.100 0.000 2.305 138 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.287 138 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.287 138 G C 0.256 175.126 174.900 -0.051 0.000 1.036 138 G CA 0.200 45.258 45.100 -0.070 0.000 0.887 138 G HN 0.109 nan 8.290 nan 0.000 0.505 139 V N 0.130 120.010 119.914 -0.057 0.000 3.596 139 V HA 0.679 4.799 4.120 -0.000 0.000 0.288 139 V C 1.443 177.548 176.094 0.019 0.000 1.021 139 V CA 0.169 62.473 62.300 0.008 0.000 1.020 139 V CB 1.504 33.372 31.823 0.075 0.000 1.243 139 V HN 1.022 nan 8.190 nan 0.000 0.433 140 S N -0.371 115.368 115.700 0.066 0.000 2.652 140 S HA 0.182 4.651 4.470 -0.000 0.000 0.270 140 S C 0.641 175.314 174.600 0.121 0.000 1.243 140 S CA -0.503 57.742 58.200 0.075 0.000 0.999 140 S CB 0.992 64.236 63.200 0.074 0.000 0.973 140 S HN 0.640 nan 8.310 nan 0.000 0.544 141 D N 1.469 121.935 120.400 0.111 0.000 2.160 141 D HA -0.166 4.474 4.640 -0.000 0.000 0.189 141 D C 1.777 178.167 176.300 0.150 0.000 1.003 141 D CA 2.158 56.242 54.000 0.141 0.000 0.846 141 D CB -0.511 40.346 40.800 0.096 0.000 0.949 141 D HN 0.772 nan 8.370 nan 0.000 0.446 142 E N 0.471 120.737 120.200 0.110 0.000 2.118 142 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 142 E C 2.029 178.710 176.600 0.134 0.000 0.992 142 E CA 0.741 57.200 56.400 0.099 0.000 0.804 142 E CB -0.251 29.494 29.700 0.074 0.000 0.741 142 E HN 0.255 nan 8.360 nan 0.000 0.458 143 Q N -0.912 118.988 119.800 0.166 0.000 2.297 143 Q HA -0.032 4.308 4.340 -0.000 0.000 0.204 143 Q C 1.721 177.908 176.000 0.311 0.000 0.962 143 Q CA 0.517 56.447 55.803 0.211 0.000 0.879 143 Q CB -0.120 28.740 28.738 0.203 0.000 0.947 143 Q HN 0.285 nan 8.270 nan 0.000 0.462 144 F N 2.019 122.021 119.950 0.087 0.000 2.163 144 F HA -0.119 4.408 4.527 -0.000 0.000 0.297 144 F C 1.962 177.740 175.800 -0.036 0.000 1.094 144 F CA 1.057 59.076 58.000 0.031 0.000 1.290 144 F CB 0.032 39.042 39.000 0.016 0.000 1.017 144 F HN 0.025 nan 8.300 nan 0.000 0.483 145 E N 0.095 120.327 120.200 0.053 0.000 2.077 145 E HA -0.186 4.163 4.350 -0.000 0.000 0.193 145 E C 2.301 178.905 176.600 0.006 0.000 0.989 145 E CA 0.896 57.263 56.400 -0.056 0.000 0.800 145 E CB -1.042 28.649 29.700 -0.016 0.000 0.746 145 E HN 0.318 nan 8.360 nan 0.000 0.452 146 L N 1.980 123.261 121.223 0.095 0.000 1.994 146 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 146 L C 1.448 178.405 176.870 0.145 0.000 1.071 146 L CA 2.011 56.954 54.840 0.172 0.000 0.745 146 L CB -1.061 41.108 42.059 0.183 0.000 0.892 146 L HN -0.089 nan 8.230 nan 0.000 0.431 147 D N -0.237 120.235 120.400 0.119 0.000 2.116 147 D HA -0.224 4.415 4.640 -0.000 0.000 0.193 147 D C 2.406 178.490 176.300 -0.360 0.000 0.998 147 D CA 1.627 55.617 54.000 -0.016 0.000 0.836 147 D CB -0.346 40.590 40.800 0.227 0.000 0.951 147 D HN 0.348 nan 8.370 nan 0.000 0.449 148 L N -0.224 120.805 121.223 -0.325 0.000 2.043 148 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 148 L C 2.375 179.087 176.870 -0.264 0.000 1.075 148 L CA 1.214 55.808 54.840 -0.411 0.000 0.752 148 L CB -0.418 41.346 42.059 -0.491 0.000 0.891 148 L HN 0.131 nan 8.230 nan 0.000 0.432 149 Y N 0.868 121.022 120.300 -0.244 0.000 2.049 149 Y HA -0.278 4.272 4.550 -0.000 0.000 0.277 149 Y C 2.432 178.219 175.900 -0.189 0.000 1.143 149 Y CA 1.590 59.589 58.100 -0.168 0.000 1.115 149 Y CB -0.601 37.818 38.460 -0.069 0.000 0.975 149 Y HN 0.030 nan 8.280 nan 0.000 0.487 150 I N 0.001 120.355 120.570 -0.360 0.000 2.194 150 I HA -0.377 3.793 4.170 -0.000 0.000 0.246 150 I C 2.477 178.302 176.117 -0.488 0.000 1.093 150 I CA 1.893 62.895 61.300 -0.496 0.000 1.355 150 I CB -0.703 37.084 38.000 -0.355 0.000 1.046 150 I HN 0.265 nan 8.210 nan 0.000 0.413 151 I N 0.412 120.646 120.570 -0.561 0.000 2.163 151 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 151 I C 2.880 178.837 176.117 -0.267 0.000 1.085 151 I CA 1.429 62.461 61.300 -0.446 0.000 1.347 151 I CB -0.542 37.162 38.000 -0.493 0.000 1.044 151 I HN 0.224 nan 8.210 nan 0.000 0.408 152 R N 0.855 121.200 120.500 -0.259 0.000 2.103 152 R HA -0.191 4.149 4.340 -0.000 0.000 0.242 152 R C 2.498 178.711 176.300 -0.144 0.000 1.142 152 R CA 1.481 57.480 56.100 -0.168 0.000 0.960 152 R CB -0.077 30.142 30.300 -0.136 0.000 0.858 152 R HN 0.271 nan 8.270 nan 0.000 0.439 153 R N 0.211 120.561 120.500 -0.250 0.000 2.092 153 R HA -0.078 4.262 4.340 -0.000 0.000 0.231 153 R C 2.237 178.457 176.300 -0.134 0.000 1.119 153 R CA 1.160 57.128 56.100 -0.220 0.000 0.970 153 R CB -0.460 29.606 30.300 -0.390 0.000 0.864 153 R HN 0.348 nan 8.270 nan 0.000 0.440 154 R N 0.253 120.671 120.500 -0.137 0.000 2.096 154 R HA 0.006 4.346 4.340 -0.000 0.000 0.235 154 R C 2.411 178.687 176.300 -0.039 0.000 1.127 154 R CA 1.066 57.129 56.100 -0.061 0.000 0.968 154 R CB -0.328 29.956 30.300 -0.026 0.000 0.861 154 R HN 0.202 nan 8.270 nan 0.000 0.440 155 I N 0.536 121.081 120.570 -0.042 0.000 2.163 155 I HA -0.249 3.921 4.170 -0.000 0.000 0.240 155 I C 2.412 178.510 176.117 -0.031 0.000 1.081 155 I CA 1.278 62.557 61.300 -0.034 0.000 1.353 155 I CB -0.284 37.729 38.000 0.021 0.000 1.054 155 I HN 0.184 nan 8.210 nan 0.000 0.407 156 E N 1.280 121.504 120.200 0.040 0.000 2.048 156 E HA -0.345 4.005 4.350 -0.000 0.000 0.202 156 E C 2.150 178.772 176.600 0.035 0.000 1.021 156 E CA 2.167 58.623 56.400 0.094 0.000 0.825 156 E CB -0.076 29.653 29.700 0.049 0.000 0.756 156 E HN 0.223 nan 8.360 nan 0.000 0.454 157 K N -0.299 120.101 120.400 -0.001 0.000 2.074 157 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 157 K C 1.952 178.544 176.600 -0.014 0.000 1.048 157 K CA 1.564 57.848 56.287 -0.006 0.000 0.926 157 K CB -0.246 32.246 32.500 -0.014 0.000 0.713 157 K HN 0.197 nan 8.250 nan 0.000 0.444 158 A N 0.300 123.101 122.820 -0.032 0.000 1.898 158 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 158 A C 2.234 179.777 177.584 -0.070 0.000 1.181 158 A CA 1.569 53.579 52.037 -0.045 0.000 0.620 158 A CB -0.580 18.387 19.000 -0.055 0.000 0.819 158 A HN 0.170 nan 8.150 nan 0.000 0.442 159 V N 0.784 120.628 119.914 -0.117 0.000 2.407 159 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 159 V C 2.493 178.558 176.094 -0.049 0.000 1.055 159 V CA 2.369 64.574 62.300 -0.158 0.000 1.049 159 V CB -0.793 30.877 31.823 -0.255 0.000 0.662 159 V HN 0.735 nan 8.190 nan 0.000 0.455 160 K N 0.957 121.351 120.400 -0.009 0.000 1.978 160 K HA -0.180 4.140 4.320 -0.000 0.000 0.214 160 K C 2.196 178.798 176.600 0.004 0.000 1.049 160 K CA 2.047 58.346 56.287 0.020 0.000 0.939 160 K CB -0.888 31.631 32.500 0.031 0.000 0.721 160 K HN 0.426 nan 8.250 nan 0.000 0.441 161 G N 0.652 109.449 108.800 -0.005 0.000 2.499 161 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.221 161 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.221 161 G C 1.275 176.167 174.900 -0.012 0.000 1.109 161 G CA 0.976 46.072 45.100 -0.007 0.000 0.749 161 G HN 0.457 nan 8.290 nan 0.000 0.568 162 E N 0.071 120.257 120.200 -0.023 0.000 2.418 162 E HA 0.023 4.373 4.350 -0.000 0.000 0.197 162 E C 1.088 177.681 176.600 -0.013 0.000 1.026 162 E CA 0.030 56.416 56.400 -0.025 0.000 0.862 162 E CB -0.215 29.458 29.700 -0.044 0.000 0.799 162 E HN 0.544 nan 8.360 nan 0.000 0.518 163 Q N -0.587 119.210 119.800 -0.004 0.000 2.464 163 Q HA -0.207 4.133 4.340 -0.000 0.000 0.304 163 Q C -0.870 175.139 176.000 0.015 0.000 1.401 163 Q CA 0.367 56.175 55.803 0.009 0.000 0.806 163 Q CB -2.103 26.640 28.738 0.008 0.000 1.134 163 Q HN 0.305 nan 8.270 nan 0.000 0.411 164 I N 1.180 121.761 120.570 0.018 0.000 2.359 164 I HA 0.253 4.423 4.170 -0.000 0.000 0.294 164 I C 0.505 176.672 176.117 0.083 0.000 0.987 164 I CA -0.616 60.705 61.300 0.035 0.000 1.225 164 I CB 1.056 39.058 38.000 0.003 0.000 1.366 164 I HN 0.145 nan 8.210 nan 0.000 0.466 165 N N 5.607 124.358 118.700 0.085 0.000 2.508 165 N HA 0.219 4.959 4.740 -0.000 0.000 0.285 165 N C -0.418 175.180 175.510 0.147 0.000 1.144 165 N CA -0.240 52.875 53.050 0.109 0.000 0.978 165 N CB 1.172 39.704 38.487 0.074 0.000 1.180 165 N HN 0.595 nan 8.380 nan 0.000 0.484 166 D N -0.285 120.217 120.400 0.170 0.000 3.051 166 D HA -0.214 4.426 4.640 -0.000 0.000 0.218 166 D C -0.737 175.725 176.300 0.269 0.000 1.129 166 D CA 0.595 54.702 54.000 0.178 0.000 0.868 166 D CB -1.591 39.276 40.800 0.111 0.000 1.100 166 D HN 0.356 nan 8.370 nan 0.000 0.429 167 F N 1.501 121.556 119.950 0.174 0.000 2.443 167 F HA 0.574 5.101 4.527 -0.000 0.000 0.335 167 F C -0.957 175.029 175.800 0.309 0.000 1.104 167 F CA -0.799 57.320 58.000 0.200 0.000 1.013 167 F CB 1.282 40.355 39.000 0.123 0.000 1.136 167 F HN -0.022 nan 8.300 nan 0.000 0.470 168 Y N 6.498 126.378 120.300 -0.701 0.000 2.424 168 Y HA 0.487 5.037 4.550 -0.000 0.000 0.323 168 Y C -1.807 173.705 175.900 -0.647 0.000 1.174 168 Y CA -1.394 56.422 58.100 -0.474 0.000 1.060 168 Y CB 1.181 39.634 38.460 -0.011 0.000 1.314 168 Y HN 0.522 nan 8.280 nan 0.000 0.439 169 I N 6.782 126.622 120.570 -1.216 0.000 2.291 169 I HA 0.133 4.303 4.170 -0.000 0.000 0.290 169 I C 0.628 176.154 176.117 -0.984 0.000 1.050 169 I CA -0.437 60.321 61.300 -0.903 0.000 1.245 169 I CB 0.619 38.295 38.000 -0.540 0.000 1.405 169 I HN 0.834 nan 8.210 nan 0.000 0.478 170 C N 3.039 121.896 119.300 -0.738 0.000 2.491 170 C HA -0.070 4.390 4.460 -0.000 0.000 0.283 170 C C 1.518 176.312 174.990 -0.327 0.000 1.238 170 C CA 0.559 59.338 59.018 -0.398 0.000 1.735 170 C CB -0.895 26.633 27.740 -0.354 0.000 2.080 170 C HN 0.868 nan 8.230 nan 0.000 0.463 171 S N -0.518 114.980 115.700 -0.336 0.000 2.599 171 S HA 0.723 5.192 4.470 -0.000 0.000 0.294 171 S C -1.187 173.237 174.600 -0.293 0.000 1.094 171 S CA -0.471 57.557 58.200 -0.285 0.000 0.931 171 S CB 1.854 64.884 63.200 -0.283 0.000 1.093 171 S HN 0.345 nan 8.310 nan 0.000 0.488 172 L N 2.561 123.625 121.223 -0.265 0.000 2.440 172 L HA 0.645 4.985 4.340 -0.000 0.000 0.261 172 L C -0.558 176.129 176.870 -0.306 0.000 1.382 172 L CA 0.459 55.125 54.840 -0.290 0.000 0.871 172 L CB 0.549 42.449 42.059 -0.265 0.000 1.052 172 L HN 1.137 nan 8.230 nan 0.000 0.509 173 S N 1.233 116.747 115.700 -0.310 0.000 2.705 173 S HA 0.891 5.361 4.470 -0.000 0.000 0.280 173 S C 0.328 174.744 174.600 -0.307 0.000 1.174 173 S CA -0.020 57.990 58.200 -0.317 0.000 0.823 173 S CB 1.543 64.624 63.200 -0.199 0.000 1.162 173 S HN 0.640 nan 8.310 nan 0.000 0.487 174 A N 0.063 122.727 122.820 -0.260 0.000 2.348 174 A HA 0.393 4.713 4.320 -0.000 0.000 0.224 174 A C 1.832 179.387 177.584 -0.049 0.000 1.227 174 A CA 0.247 52.199 52.037 -0.141 0.000 0.885 174 A CB -0.378 18.613 19.000 -0.016 0.000 0.933 174 A HN 0.800 nan 8.150 nan 0.000 0.506 175 R N -0.635 119.846 120.500 -0.031 0.000 2.105 175 R HA 0.210 4.550 4.340 -0.000 0.000 0.214 175 R C -0.173 176.202 176.300 0.125 0.000 1.091 175 R CA 1.227 57.364 56.100 0.061 0.000 1.007 175 R CB 0.257 30.607 30.300 0.082 0.000 0.912 175 R HN 0.336 nan 8.270 nan 0.000 0.450 176 S N -0.382 115.358 115.700 0.067 0.000 2.570 176 S HA 0.511 4.981 4.470 -0.000 0.000 0.286 176 S C -1.201 173.355 174.600 -0.074 0.000 1.099 176 S CA -0.711 57.563 58.200 0.124 0.000 0.913 176 S CB 2.254 65.555 63.200 0.167 0.000 1.085 176 S HN 0.296 nan 8.310 nan 0.000 0.480 177 I N 1.505 122.030 120.570 -0.075 0.000 2.894 177 I HA 0.624 4.794 4.170 -0.000 0.000 0.302 177 I C -2.025 174.016 176.117 -0.126 0.000 1.188 177 I CA -1.207 60.014 61.300 -0.132 0.000 1.014 177 I CB 1.544 39.527 38.000 -0.028 0.000 1.242 177 I HN 0.657 nan 8.210 nan 0.000 0.430 178 I N 6.217 126.683 120.570 -0.173 0.000 2.439 178 I HA 0.298 4.468 4.170 -0.000 0.000 0.285 178 I C -1.529 174.585 176.117 -0.004 0.000 1.021 178 I CA -0.410 60.854 61.300 -0.060 0.000 1.091 178 I CB 1.607 39.533 38.000 -0.124 0.000 1.242 178 I HN 0.428 nan 8.210 nan 0.000 0.439 179 Y N 7.043 127.387 120.300 0.074 0.000 2.353 179 Y HA 0.498 5.048 4.550 -0.000 0.000 0.340 179 Y C 0.188 176.342 175.900 0.422 0.000 0.972 179 Y CA -0.364 57.823 58.100 0.145 0.000 1.157 179 Y CB 1.166 39.608 38.460 -0.029 0.000 1.157 179 Y HN 0.429 nan 8.280 nan 0.000 0.495 180 K N 2.063 122.888 120.400 0.709 0.000 2.555 180 K HA 0.931 5.251 4.320 -0.000 0.000 0.279 180 K C -1.071 175.919 176.600 0.650 0.000 0.986 180 K CA -0.880 55.745 56.287 0.563 0.000 0.880 180 K CB 2.341 34.998 32.500 0.261 0.000 1.474 180 K HN 0.749 nan 8.250 nan 0.000 0.433 181 G N 0.442 109.297 108.800 0.092 0.000 2.320 181 G HA2 0.316 4.276 3.960 -0.000 0.000 0.296 181 G HA3 0.316 4.276 3.960 -0.000 0.000 0.296 181 G C -1.648 172.524 174.900 -1.213 0.000 1.306 181 G CA -0.881 44.117 45.100 -0.171 0.000 0.836 181 G HN 0.483 nan 8.290 nan 0.000 0.517 182 M N 1.493 119.970 119.600 -1.872 0.000 3.652 182 M HA 0.540 5.019 4.480 -0.000 0.000 0.208 182 M C -0.967 174.704 176.300 -1.048 0.000 1.307 182 M CA -0.624 53.774 55.300 -1.503 0.000 1.524 182 M CB -1.289 30.142 32.600 -1.948 0.000 1.067 182 M HN 0.391 nan 8.290 nan 0.000 0.590 183 F N -1.163 118.392 119.950 -0.658 0.000 2.599 183 F HA 0.660 5.187 4.527 -0.000 0.000 0.311 183 F C -1.047 174.576 175.800 -0.295 0.000 1.076 183 F CA -2.095 55.627 58.000 -0.464 0.000 0.937 183 F CB 0.389 39.046 39.000 -0.571 0.000 1.282 183 F HN -0.244 nan 8.300 nan 0.000 0.460 184 L N 2.710 123.909 121.223 -0.041 0.000 2.615 184 L HA 0.118 4.458 4.340 -0.000 0.000 0.284 184 L C 1.675 178.598 176.870 0.088 0.000 1.237 184 L CA 0.783 55.605 54.840 -0.029 0.000 0.905 184 L CB -0.471 41.579 42.059 -0.016 0.000 1.149 184 L HN 1.034 nan 8.230 nan 0.000 0.499 185 A N 3.935 126.767 122.820 0.021 0.000 1.948 185 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 185 A C 1.831 179.478 177.584 0.105 0.000 1.177 185 A CA 1.887 53.977 52.037 0.089 0.000 0.636 185 A CB -0.515 18.515 19.000 0.051 0.000 0.815 185 A HN 0.875 nan 8.150 nan 0.000 0.449 186 E N -0.139 120.101 120.200 0.066 0.000 2.265 186 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 186 E C 1.090 177.696 176.600 0.010 0.000 0.996 186 E CA 1.083 57.495 56.400 0.020 0.000 0.832 186 E CB -0.132 29.540 29.700 -0.046 0.000 0.756 186 E HN 0.643 nan 8.360 nan 0.000 0.491 187 Q N 0.473 120.304 119.800 0.053 0.000 2.204 187 Q HA 0.136 4.476 4.340 -0.000 0.000 0.209 187 Q C 1.728 177.706 176.000 -0.037 0.000 0.861 187 Q CA -0.063 55.750 55.803 0.017 0.000 0.971 187 Q CB 0.508 29.259 28.738 0.022 0.000 1.095 187 Q HN 0.294 nan 8.270 nan 0.000 0.486 188 L N 0.679 121.935 121.223 0.056 0.000 1.990 188 L HA -0.160 4.180 4.340 -0.000 0.000 0.213 188 L C 2.110 178.881 176.870 -0.166 0.000 1.072 188 L CA 2.090 56.920 54.840 -0.016 0.000 0.755 188 L CB -0.971 41.226 42.059 0.230 0.000 0.889 188 L HN 0.044 nan 8.230 nan 0.000 0.432 189 T N -1.442 113.067 114.554 -0.075 0.000 3.025 189 T HA -0.124 4.226 4.350 -0.000 0.000 0.270 189 T C 1.530 176.176 174.700 -0.090 0.000 1.126 189 T CA 1.594 63.642 62.100 -0.088 0.000 1.105 189 T CB -0.309 68.509 68.868 -0.084 0.000 0.884 189 T HN 0.606 nan 8.240 nan 0.000 0.522 190 T N 0.160 114.654 114.554 -0.100 0.000 2.953 190 T HA 0.149 4.499 4.350 -0.000 0.000 0.247 190 T C 1.283 175.937 174.700 -0.077 0.000 1.029 190 T CA 0.183 62.237 62.100 -0.077 0.000 1.144 190 T CB -0.289 68.542 68.868 -0.061 0.000 0.870 190 T HN 0.420 nan 8.240 nan 0.000 0.446 191 F N 0.959 120.678 119.950 -0.385 0.000 2.451 191 F HA 0.093 4.620 4.527 -0.000 0.000 0.299 191 F C -0.360 175.234 175.800 -0.343 0.000 1.101 191 F CA 0.510 58.225 58.000 -0.476 0.000 1.436 191 F CB 0.180 38.588 39.000 -0.987 0.000 1.074 191 F HN 0.092 nan 8.300 nan 0.000 0.553 192 Y N 0.074 120.300 120.300 -0.124 0.000 2.475 192 Y HA 0.319 4.869 4.550 -0.000 0.000 0.343 192 Y C -2.021 173.753 175.900 -0.210 0.000 1.068 192 Y CA -3.532 54.486 58.100 -0.137 0.000 1.307 192 Y CB 0.534 38.975 38.460 -0.031 0.000 1.097 192 Y HN -0.143 nan 8.280 nan 0.000 0.530 193 P HA -0.061 nan 4.420 nan 0.000 0.223 193 P C 1.020 178.206 177.300 -0.189 0.000 1.151 193 P CA 1.208 64.251 63.100 -0.095 0.000 0.787 193 P CB 0.618 32.288 31.700 -0.049 0.000 0.788 194 D N -0.102 120.159 120.400 -0.232 0.000 2.203 194 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 194 D C 1.850 177.636 176.300 -0.856 0.000 0.997 194 D CA 1.071 54.823 54.000 -0.414 0.000 0.863 194 D CB -0.665 39.816 40.800 -0.532 0.000 0.928 194 D HN 0.245 nan 8.370 nan 0.000 0.458 195 L N 0.221 120.896 121.223 -0.913 0.000 2.265 195 L HA -0.097 4.243 4.340 -0.000 0.000 0.215 195 L C 2.289 178.846 176.870 -0.522 0.000 1.117 195 L CA 0.286 54.545 54.840 -0.968 0.000 0.782 195 L CB -0.161 41.483 42.059 -0.691 0.000 0.914 195 L HN 0.034 nan 8.230 nan 0.000 0.441 196 L N -0.923 120.106 121.223 -0.324 0.000 2.622 196 L HA -0.060 4.280 4.340 -0.000 0.000 0.233 196 L C 0.820 177.638 176.870 -0.086 0.000 1.156 196 L CA 0.201 54.943 54.840 -0.165 0.000 0.866 196 L CB -0.311 41.683 42.059 -0.109 0.000 0.980 196 L HN 0.205 nan 8.230 nan 0.000 0.448 197 D N 0.780 121.139 120.400 -0.068 0.000 2.312 197 D HA -0.006 4.634 4.640 -0.000 0.000 0.252 197 D C 0.899 177.277 176.300 0.129 0.000 1.150 197 D CA -0.125 53.934 54.000 0.098 0.000 0.870 197 D CB 1.481 42.440 40.800 0.265 0.000 1.153 197 D HN 0.297 nan 8.370 nan 0.000 0.457 198 E N 2.953 123.213 120.200 0.099 0.000 2.396 198 E HA -0.185 4.165 4.350 -0.000 0.000 0.200 198 E C 1.471 178.135 176.600 0.106 0.000 1.023 198 E CA 0.933 57.383 56.400 0.083 0.000 0.857 198 E CB -0.044 29.688 29.700 0.053 0.000 0.775 198 E HN 0.359 nan 8.360 nan 0.000 0.525 199 R N -0.287 120.310 120.500 0.161 0.000 2.235 199 R HA 0.070 4.410 4.340 -0.000 0.000 0.213 199 R C -0.194 176.128 176.300 0.037 0.000 1.059 199 R CA 0.190 56.365 56.100 0.126 0.000 0.997 199 R CB -0.065 30.364 30.300 0.216 0.000 0.884 199 R HN 0.135 nan 8.270 nan 0.000 0.462 200 F N 1.756 121.665 119.950 -0.068 0.000 2.494 200 F HA 0.108 4.635 4.527 -0.000 0.000 0.351 200 F C 0.345 176.097 175.800 -0.080 0.000 1.205 200 F CA 0.383 58.307 58.000 -0.127 0.000 1.125 200 F CB 0.254 39.114 39.000 -0.232 0.000 1.268 200 F HN -0.127 nan 8.300 nan 0.000 0.593 201 E N 1.269 121.480 120.200 0.018 0.000 2.299 201 E HA 0.699 5.049 4.350 -0.000 0.000 0.265 201 E C -0.992 175.599 176.600 -0.014 0.000 0.911 201 E CA -0.989 55.419 56.400 0.013 0.000 0.789 201 E CB 2.323 32.027 29.700 0.007 0.000 1.246 201 E HN 0.360 nan 8.360 nan 0.000 0.427 202 S N 0.266 115.956 115.700 -0.017 0.000 2.558 202 S HA 0.088 4.558 4.470 -0.000 0.000 0.277 202 S C -1.119 173.477 174.600 -0.007 0.000 1.143 202 S CA -0.679 57.487 58.200 -0.055 0.000 0.865 202 S CB 0.842 63.937 63.200 -0.175 0.000 1.102 202 S HN 0.668 nan 8.310 nan 0.000 0.454 203 D N 1.471 121.911 120.400 0.065 0.000 2.339 203 D HA 0.203 4.843 4.640 -0.000 0.000 0.217 203 D C 0.410 176.866 176.300 0.260 0.000 1.050 203 D CA 0.334 54.422 54.000 0.148 0.000 0.856 203 D CB -0.284 40.612 40.800 0.161 0.000 0.922 203 D HN 0.394 nan 8.370 nan 0.000 0.518 204 F N -1.020 118.964 119.950 0.057 0.000 2.779 204 F HA 0.787 5.314 4.527 -0.000 0.000 0.316 204 F C -1.982 173.873 175.800 0.092 0.000 1.164 204 F CA -1.553 56.487 58.000 0.067 0.000 0.924 204 F CB 1.217 40.236 39.000 0.032 0.000 1.348 204 F HN -0.019 nan 8.300 nan 0.000 0.467 205 A N 1.384 124.352 122.820 0.247 0.000 2.604 205 A HA 0.832 5.152 4.320 -0.000 0.000 0.295 205 A C -1.940 175.837 177.584 0.321 0.000 1.067 205 A CA -0.704 51.423 52.037 0.150 0.000 0.683 205 A CB 1.568 20.657 19.000 0.148 0.000 1.281 205 A HN 0.920 nan 8.150 nan 0.000 0.407 206 I N 2.355 123.089 120.570 0.273 0.000 2.563 206 I HA 0.343 4.513 4.170 -0.000 0.000 0.285 206 I C -1.288 174.961 176.117 0.220 0.000 1.123 206 I CA -0.431 60.973 61.300 0.172 0.000 1.059 206 I CB 1.613 39.645 38.000 0.054 0.000 1.229 206 I HN 0.794 nan 8.210 nan 0.000 0.442 207 Y N 3.674 124.069 120.300 0.157 0.000 2.602 207 Y HA 0.858 5.408 4.550 -0.000 0.000 0.330 207 Y C -0.448 175.571 175.900 0.198 0.000 1.114 207 Y CA -1.459 56.732 58.100 0.152 0.000 1.182 207 Y CB 1.037 39.559 38.460 0.104 0.000 1.305 207 Y HN 0.559 nan 8.280 nan 0.000 0.502 208 H N -0.276 118.898 119.070 0.172 0.000 3.121 208 H HA 0.368 4.923 4.556 -0.000 0.000 0.337 208 H C -1.823 173.524 175.328 0.031 0.000 1.198 208 H CA -0.641 55.440 56.048 0.056 0.000 1.274 208 H CB 1.860 31.611 29.762 -0.018 0.000 1.954 208 H HN 0.899 nan 8.280 nan 0.000 0.531 209 Q N 3.794 123.465 119.800 -0.216 0.000 2.399 209 Q HA 0.520 4.860 4.340 -0.000 0.000 0.276 209 Q C -1.283 174.563 176.000 -0.257 0.000 1.098 209 Q CA -1.052 54.687 55.803 -0.107 0.000 0.827 209 Q CB 1.925 30.614 28.738 -0.081 0.000 1.386 209 Q HN 0.745 nan 8.270 nan 0.000 0.443 210 R N 1.792 122.258 120.500 -0.057 0.000 2.740 210 R HA 0.400 4.740 4.340 -0.000 0.000 0.273 210 R C -1.859 174.457 176.300 0.026 0.000 0.998 210 R CA -0.494 55.625 56.100 0.032 0.000 0.900 210 R CB 1.165 31.600 30.300 0.226 0.000 1.223 210 R HN 0.697 nan 8.270 nan 0.000 0.466 211 Y N 0.478 120.752 120.300 -0.043 0.000 2.654 211 Y HA 0.650 5.200 4.550 -0.000 0.000 0.327 211 Y C -0.704 175.178 175.900 -0.030 0.000 1.122 211 Y CA 0.238 58.311 58.100 -0.045 0.000 1.227 211 Y CB 2.133 40.568 38.460 -0.041 0.000 1.370 211 Y HN 0.952 nan 8.280 nan 0.000 0.528 212 S N -1.807 114.185 115.700 0.487 0.000 2.611 212 S HA 0.172 4.642 4.470 -0.000 0.000 0.270 212 S C -0.542 174.208 174.600 0.249 0.000 1.131 212 S CA -0.413 57.942 58.200 0.258 0.000 0.826 212 S CB 0.616 63.886 63.200 0.117 0.000 1.095 212 S HN 0.783 nan 8.310 nan 0.000 0.461 213 T N -1.044 113.591 114.554 0.134 0.000 3.434 213 T HA 0.354 4.704 4.350 -0.000 0.000 0.249 213 T C 0.164 174.920 174.700 0.094 0.000 1.050 213 T CA -0.059 62.098 62.100 0.095 0.000 0.952 213 T CB -1.457 67.448 68.868 0.063 0.000 1.046 213 T HN 0.608 nan 8.240 nan 0.000 0.590 214 N N -1.222 117.525 118.700 0.078 0.000 2.853 214 N HA 0.387 5.127 4.740 -0.000 0.000 0.258 214 N C -0.332 175.113 175.510 -0.108 0.000 1.444 214 N CA -0.820 52.258 53.050 0.047 0.000 0.837 214 N CB 1.974 40.528 38.487 0.113 0.000 1.489 214 N HN -0.108 nan 8.380 nan 0.000 0.529 215 T N -0.203 114.137 114.554 -0.356 0.000 2.975 215 T HA 0.303 4.653 4.350 -0.000 0.000 0.261 215 T C -0.764 173.531 174.700 -0.675 0.000 0.984 215 T CA 0.052 61.821 62.100 -0.552 0.000 0.911 215 T CB 0.113 68.578 68.868 -0.673 0.000 1.127 215 T HN 0.264 nan 8.240 nan 0.000 0.514 216 F N 3.384 123.328 119.950 -0.010 0.000 2.411 216 F HA 0.457 4.984 4.527 -0.000 0.000 0.355 216 F C -2.406 173.380 175.800 -0.022 0.000 1.117 216 F CA -3.200 54.797 58.000 -0.005 0.000 1.139 216 F CB 0.335 39.340 39.000 0.008 0.000 1.120 216 F HN -0.136 nan 8.300 nan 0.000 0.493 217 P HA 0.221 nan 4.420 nan 0.000 0.295 217 P C -0.425 176.917 177.300 0.070 0.000 1.354 217 P CA -0.470 62.626 63.100 -0.007 0.000 0.814 217 P CB 1.383 33.026 31.700 -0.094 0.000 0.935 218 T N 2.974 117.559 114.554 0.053 0.000 2.767 218 T HA 0.158 4.508 4.350 -0.000 0.000 0.288 218 T C 0.420 175.181 174.700 0.101 0.000 0.963 218 T CA -0.050 62.117 62.100 0.112 0.000 1.019 218 T CB 0.236 69.155 68.868 0.084 0.000 0.923 218 T HN 0.287 nan 8.240 nan 0.000 0.468 219 W N 4.574 125.835 121.300 -0.066 0.000 2.358 219 W HA 0.082 4.742 4.660 -0.000 0.000 0.303 219 W C -0.966 175.557 176.519 0.006 0.000 1.208 219 W CA 0.654 57.952 57.345 -0.079 0.000 1.274 219 W CB -1.680 27.641 29.460 -0.232 0.000 1.138 219 W HN 0.644 nan 8.180 nan 0.000 0.515 220 P HA -0.139 nan 4.420 nan 0.000 0.218 220 P C 1.422 178.621 177.300 -0.168 0.000 1.149 220 P CA 1.483 64.410 63.100 -0.288 0.000 0.817 220 P CB -0.216 31.142 31.700 -0.570 0.000 0.785 221 L N -1.979 119.232 121.223 -0.020 0.000 2.551 221 L HA 0.041 4.381 4.340 -0.000 0.000 0.228 221 L C 1.293 178.138 176.870 -0.041 0.000 1.153 221 L CA -0.374 54.510 54.840 0.073 0.000 0.851 221 L CB -0.902 41.199 42.059 0.070 0.000 0.959 221 L HN -0.077 nan 8.230 nan 0.000 0.451 222 A N 0.166 122.908 122.820 -0.129 0.000 2.429 222 A HA 0.303 4.623 4.320 -0.000 0.000 0.242 222 A C 0.203 177.514 177.584 -0.456 0.000 1.088 222 A CA 0.168 52.063 52.037 -0.237 0.000 0.784 222 A CB 0.370 19.248 19.000 -0.204 0.000 1.038 222 A HN 0.339 nan 8.150 nan 0.000 0.501 223 Q N -0.125 119.350 119.800 -0.542 0.000 2.873 223 Q HA 0.437 4.777 4.340 -0.000 0.000 0.297 223 Q C -2.586 173.208 176.000 -0.344 0.000 1.064 223 Q CA -2.039 53.286 55.803 -0.797 0.000 0.816 223 Q CB 0.626 28.643 28.738 -1.201 0.000 1.481 223 Q HN 0.449 nan 8.270 nan 0.000 0.488 224 P HA -0.047 nan 4.420 nan 0.000 0.270 224 P C -1.015 176.111 177.300 -0.290 0.000 1.227 224 P CA 0.451 63.419 63.100 -0.220 0.000 0.788 224 P CB 0.384 32.139 31.700 0.091 0.000 0.926 225 F N 0.165 120.114 119.950 -0.001 0.000 2.456 225 F HA 0.401 4.928 4.527 -0.000 0.000 0.364 225 F C 2.169 177.985 175.800 0.026 0.000 1.092 225 F CA -0.351 57.656 58.000 0.012 0.000 1.125 225 F CB -0.100 38.890 39.000 -0.016 0.000 1.543 225 F HN 0.153 nan 8.300 nan 0.000 0.504 226 R N -0.341 120.303 120.500 0.241 0.000 2.091 226 R HA -0.072 4.268 4.340 -0.000 0.000 0.238 226 R C 1.379 177.742 176.300 0.103 0.000 1.136 226 R CA 1.875 58.031 56.100 0.094 0.000 0.959 226 R CB -0.162 30.151 30.300 0.022 0.000 0.856 226 R HN 0.487 nan 8.270 nan 0.000 0.437 227 M N -1.053 118.564 119.600 0.027 0.000 2.279 227 M HA 0.247 4.727 4.480 -0.000 0.000 0.306 227 M C -0.676 175.464 176.300 -0.266 0.000 0.965 227 M CA -0.125 55.127 55.300 -0.080 0.000 1.038 227 M CB 0.925 33.459 32.600 -0.110 0.000 1.636 227 M HN -0.006 nan 8.290 nan 0.000 0.574 228 L N 0.234 121.350 121.223 -0.178 0.000 2.376 228 L HA 0.896 5.236 4.340 -0.000 0.000 0.258 228 L C -1.378 175.468 176.870 -0.040 0.000 1.013 228 L CA -0.532 54.175 54.840 -0.222 0.000 0.822 228 L CB 2.276 44.201 42.059 -0.223 0.000 1.388 228 L HN 0.068 nan 8.230 nan 0.000 0.413 229 A N 1.194 123.990 122.820 -0.040 0.000 2.486 229 A HA 0.660 4.980 4.320 -0.000 0.000 0.300 229 A C -1.764 175.919 177.584 0.166 0.000 1.048 229 A CA -0.419 51.635 52.037 0.028 0.000 0.696 229 A CB 1.165 20.179 19.000 0.023 0.000 1.278 229 A HN 0.836 nan 8.150 nan 0.000 0.405 230 H N 2.573 121.711 119.070 0.113 0.000 2.840 230 H HA 0.359 4.915 4.556 -0.000 0.000 0.340 230 H C -1.304 174.163 175.328 0.232 0.000 1.004 230 H CA -0.489 55.646 56.048 0.145 0.000 1.288 230 H CB 1.121 30.962 29.762 0.131 0.000 1.607 230 H HN 0.784 nan 8.280 nan 0.000 0.522 231 N N 4.038 122.807 118.700 0.116 0.000 2.422 231 N HA 0.454 5.194 4.740 -0.000 0.000 0.266 231 N C -0.351 175.014 175.510 -0.243 0.000 1.007 231 N CA 0.503 53.502 53.050 -0.086 0.000 0.941 231 N CB 1.399 39.870 38.487 -0.027 0.000 1.115 231 N HN 0.975 nan 8.380 nan 0.000 0.492 232 G N 2.017 110.572 108.800 -0.409 0.000 2.320 232 G HA2 0.063 4.023 3.960 -0.000 0.000 0.274 232 G HA3 0.063 4.023 3.960 -0.000 0.000 0.274 232 G C -1.898 172.846 174.900 -0.260 0.000 1.324 232 G CA -0.662 44.274 45.100 -0.272 0.000 0.957 232 G HN 0.593 nan 8.290 nan 0.000 0.481 233 E N -1.315 118.904 120.200 0.031 0.000 2.390 233 E HA 0.695 5.045 4.350 -0.000 0.000 0.277 233 E C -1.113 175.624 176.600 0.229 0.000 0.939 233 E CA -0.695 55.774 56.400 0.114 0.000 0.769 233 E CB 1.909 31.639 29.700 0.049 0.000 1.251 233 E HN 0.533 nan 8.360 nan 0.000 0.450 234 I N 4.673 125.380 120.570 0.227 0.000 2.388 234 I HA 0.193 4.363 4.170 -0.000 0.000 0.281 234 I C 0.996 177.163 176.117 0.083 0.000 1.046 234 I CA -0.239 61.174 61.300 0.189 0.000 1.187 234 I CB 0.601 38.752 38.000 0.251 0.000 1.351 234 I HN 0.618 nan 8.210 nan 0.000 0.472 235 N N 2.163 120.894 118.700 0.052 0.000 2.453 235 N HA -0.149 4.591 4.740 -0.000 0.000 0.183 235 N C 1.164 176.659 175.510 -0.025 0.000 1.041 235 N CA 0.616 53.672 53.050 0.010 0.000 0.900 235 N CB 0.096 38.590 38.487 0.011 0.000 0.961 235 N HN 0.380 nan 8.380 nan 0.000 0.443 236 T N 0.173 114.702 114.554 -0.042 0.000 3.273 236 T HA 0.172 4.522 4.350 -0.000 0.000 0.254 236 T C 1.194 175.773 174.700 -0.201 0.000 1.002 236 T CA -0.323 61.718 62.100 -0.097 0.000 0.913 236 T CB -0.081 68.742 68.868 -0.074 0.000 1.056 236 T HN 0.130 nan 8.240 nan 0.000 0.576 237 V N 1.359 121.183 119.914 -0.150 0.000 2.453 237 V HA 0.015 4.135 4.120 -0.000 0.000 0.247 237 V C 2.119 178.097 176.094 -0.193 0.000 1.048 237 V CA 1.636 63.827 62.300 -0.183 0.000 1.049 237 V CB -0.131 31.666 31.823 -0.043 0.000 0.672 237 V HN 0.491 nan 8.190 nan 0.000 0.457 238 K N -0.061 120.247 120.400 -0.155 0.000 2.504 238 K HA 0.052 4.372 4.320 -0.000 0.000 0.195 238 K C 1.795 178.266 176.600 -0.216 0.000 1.036 238 K CA 0.893 57.087 56.287 -0.155 0.000 0.984 238 K CB -0.171 32.251 32.500 -0.130 0.000 0.788 238 K HN 0.579 nan 8.250 nan 0.000 0.488 239 G N 0.793 109.451 108.800 -0.237 0.000 2.656 239 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.211 239 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.211 239 G C 1.253 176.031 174.900 -0.203 0.000 1.137 239 G CA -0.107 44.840 45.100 -0.256 0.000 0.802 239 G HN 0.122 nan 8.290 nan 0.000 0.527 240 N N 0.787 119.299 118.700 -0.313 0.000 2.106 240 N HA -0.079 4.661 4.740 -0.000 0.000 0.188 240 N C 2.326 177.731 175.510 -0.176 0.000 1.029 240 N CA 0.825 53.579 53.050 -0.494 0.000 0.848 240 N CB -0.525 37.047 38.487 -1.524 0.000 1.007 240 N HN 0.096 nan 8.380 nan 0.000 0.423 241 V N 2.420 122.229 119.914 -0.174 0.000 2.295 241 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 241 V C 1.649 177.709 176.094 -0.057 0.000 1.049 241 V CA 1.567 63.847 62.300 -0.034 0.000 1.024 241 V CB -0.476 31.328 31.823 -0.033 0.000 0.648 241 V HN 0.450 nan 8.190 nan 0.000 0.447 242 N N -1.728 116.857 118.700 -0.193 0.000 2.354 242 N HA -0.161 4.579 4.740 -0.000 0.000 0.179 242 N C 1.653 177.009 175.510 -0.256 0.000 1.021 242 N CA 1.101 53.996 53.050 -0.259 0.000 0.887 242 N CB -0.205 38.061 38.487 -0.368 0.000 0.974 242 N HN 0.565 nan 8.380 nan 0.000 0.437 243 W N 0.963 122.239 121.300 -0.040 0.000 2.611 243 W HA 0.008 4.668 4.660 -0.000 0.000 0.251 243 W C 2.228 178.757 176.519 0.018 0.000 1.265 243 W CA -0.081 57.224 57.345 -0.067 0.000 1.295 243 W CB 0.060 29.501 29.460 -0.031 0.000 1.129 243 W HN 0.067 nan 8.180 nan 0.000 0.630 244 M N 0.588 120.355 119.600 0.278 0.000 2.325 244 M HA -0.031 4.449 4.480 -0.000 0.000 0.265 244 M C 1.828 178.224 176.300 0.159 0.000 1.094 244 M CA 1.612 57.084 55.300 0.287 0.000 1.161 244 M CB -0.610 32.148 32.600 0.264 0.000 1.358 244 M HN -0.221 nan 8.290 nan 0.000 0.446 245 K N -0.366 120.070 120.400 0.061 0.000 2.293 245 K HA -0.173 4.147 4.320 -0.000 0.000 0.204 245 K C 1.637 178.243 176.600 0.010 0.000 1.045 245 K CA 1.393 57.684 56.287 0.007 0.000 0.933 245 K CB -0.330 32.131 32.500 -0.065 0.000 0.736 245 K HN 0.443 nan 8.250 nan 0.000 0.463 246 A N -0.140 122.703 122.820 0.039 0.000 1.984 246 A HA 0.025 4.345 4.320 -0.000 0.000 0.203 246 A C 1.550 179.160 177.584 0.043 0.000 1.292 246 A CA 0.185 52.224 52.037 0.002 0.000 0.782 246 A CB -0.443 18.563 19.000 0.011 0.000 0.924 246 A HN 0.231 nan 8.150 nan 0.000 0.475 247 H N -0.000 119.130 119.070 0.101 0.000 2.431 247 H HA -0.178 4.378 4.556 -0.000 0.000 0.297 247 H C 2.050 177.405 175.328 0.044 0.000 1.115 247 H CA 1.758 57.849 56.048 0.071 0.000 1.277 247 H CB 0.228 30.063 29.762 0.121 0.000 1.372 247 H HN 0.621 nan 8.280 nan 0.000 0.516 248 E N -0.534 119.769 120.200 0.171 0.000 2.028 248 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 248 E C 2.153 178.795 176.600 0.071 0.000 0.984 248 E CA 1.109 57.572 56.400 0.105 0.000 0.800 248 E CB -0.069 29.678 29.700 0.079 0.000 0.758 248 E HN 0.231 nan 8.360 nan 0.000 0.448 249 T N 0.116 114.694 114.554 0.040 0.000 2.950 249 T HA -0.207 4.143 4.350 -0.000 0.000 0.264 249 T C 1.202 175.921 174.700 0.032 0.000 1.133 249 T CA 1.219 63.330 62.100 0.018 0.000 1.127 249 T CB -0.007 68.834 68.868 -0.046 0.000 0.792 249 T HN 0.021 nan 8.240 nan 0.000 0.570 250 R N -0.516 120.012 120.500 0.047 0.000 2.539 250 R HA 0.222 4.562 4.340 -0.000 0.000 0.342 250 R C 0.256 176.612 176.300 0.093 0.000 0.941 250 R CA -0.045 56.095 56.100 0.066 0.000 1.146 250 R CB 0.011 30.334 30.300 0.038 0.000 1.541 250 R HN 0.520 nan 8.270 nan 0.000 0.525 251 M N 0.701 120.362 119.600 0.102 0.000 2.217 251 M HA 0.420 4.900 4.480 -0.000 0.000 0.352 251 M C -0.600 175.792 176.300 0.154 0.000 1.376 251 M CA 0.546 55.923 55.300 0.128 0.000 1.107 251 M CB 0.920 33.594 32.600 0.123 0.000 1.723 251 M HN -0.271 nan 8.290 nan 0.000 0.461 252 E N 2.046 122.358 120.200 0.187 0.000 2.349 252 E HA 0.346 4.696 4.350 -0.000 0.000 0.290 252 E C -1.881 174.868 176.600 0.249 0.000 0.901 252 E CA -0.334 56.189 56.400 0.204 0.000 0.800 252 E CB 1.262 31.041 29.700 0.131 0.000 1.303 252 E HN 0.755 nan 8.360 nan 0.000 0.397 253 H N 4.302 123.501 119.070 0.216 0.000 2.710 253 H HA 0.458 5.014 4.556 -0.000 0.000 0.361 253 H C -1.915 173.427 175.328 0.023 0.000 1.175 253 H CA -2.222 53.874 56.048 0.080 0.000 1.206 253 H CB 2.112 31.855 29.762 -0.031 0.000 1.750 253 H HN 0.384 nan 8.280 nan 0.000 0.553 254 P HA -0.075 nan 4.420 nan 0.000 0.212 254 P C 1.228 178.521 177.300 -0.013 0.000 1.179 254 P CA 1.693 64.700 63.100 -0.154 0.000 0.898 254 P CB -0.102 31.418 31.700 -0.300 0.000 0.775 255 A N 0.287 123.137 122.820 0.049 0.000 2.030 255 A HA -0.241 4.079 4.320 -0.000 0.000 0.226 255 A C 1.882 179.371 177.584 -0.158 0.000 1.282 255 A CA 2.356 54.343 52.037 -0.083 0.000 0.691 255 A CB -2.089 16.778 19.000 -0.223 0.000 0.829 255 A HN 0.224 nan 8.150 nan 0.000 0.497 256 F N -0.343 119.757 119.950 0.249 0.000 2.811 256 F HA 0.357 4.884 4.527 -0.000 0.000 0.301 256 F C 2.023 177.957 175.800 0.222 0.000 1.151 256 F CA 0.067 58.208 58.000 0.234 0.000 1.412 256 F CB -1.177 37.950 39.000 0.211 0.000 1.113 256 F HN 0.517 nan 8.300 nan 0.000 0.579 257 G N 1.120 110.056 108.800 0.225 0.000 2.651 257 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.315 257 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.315 257 G C 1.218 176.196 174.900 0.131 0.000 1.258 257 G CA 1.111 46.297 45.100 0.142 0.000 1.002 257 G HN 0.334 nan 8.290 nan 0.000 0.551 258 T N -2.318 112.253 114.554 0.028 0.000 3.100 258 T HA 0.184 4.534 4.350 -0.000 0.000 0.253 258 T C 1.646 176.326 174.700 -0.033 0.000 1.118 258 T CA 1.644 63.722 62.100 -0.036 0.000 1.058 258 T CB -0.068 68.714 68.868 -0.144 0.000 0.953 258 T HN 0.666 nan 8.240 nan 0.000 0.515 259 H N 0.153 119.315 119.070 0.153 0.000 2.524 259 H HA 0.238 4.794 4.556 -0.000 0.000 0.282 259 H C 2.154 177.536 175.328 0.091 0.000 1.016 259 H CA 0.747 56.880 56.048 0.141 0.000 1.270 259 H CB -0.184 29.699 29.762 0.200 0.000 1.394 259 H HN 0.181 nan 8.280 nan 0.000 0.568 260 M N 0.536 120.274 119.600 0.230 0.000 2.151 260 M HA -0.326 4.154 4.480 -0.000 0.000 0.256 260 M C 2.054 178.387 176.300 0.054 0.000 1.072 260 M CA 1.829 57.203 55.300 0.124 0.000 1.090 260 M CB -0.006 32.696 32.600 0.169 0.000 1.294 260 M HN 0.130 nan 8.290 nan 0.000 0.415 261 Q N 0.270 120.109 119.800 0.064 0.000 2.308 261 Q HA -0.193 4.147 4.340 -0.000 0.000 0.209 261 Q C 1.398 177.411 176.000 0.022 0.000 0.985 261 Q CA 1.773 57.599 55.803 0.038 0.000 0.881 261 Q CB -0.321 28.438 28.738 0.036 0.000 0.917 261 Q HN 0.592 nan 8.270 nan 0.000 0.443 262 D N -1.041 119.381 120.400 0.036 0.000 2.224 262 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 262 D C 1.371 177.634 176.300 -0.063 0.000 0.965 262 D CA 0.318 54.322 54.000 0.008 0.000 0.852 262 D CB 0.078 40.904 40.800 0.044 0.000 0.947 262 D HN 0.178 nan 8.370 nan 0.000 0.494 263 L N 0.858 122.026 121.223 -0.092 0.000 2.081 263 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 263 L C 0.831 177.643 176.870 -0.097 0.000 1.080 263 L CA 1.663 56.402 54.840 -0.169 0.000 0.754 263 L CB -0.426 41.483 42.059 -0.250 0.000 0.893 263 L HN -0.048 nan 8.230 nan 0.000 0.433 264 K N -0.428 119.945 120.400 -0.044 0.000 2.110 264 K HA 0.396 4.716 4.320 -0.000 0.000 0.263 264 K C -2.216 174.380 176.600 -0.006 0.000 0.975 264 K CA -1.981 54.298 56.287 -0.014 0.000 0.895 264 K CB 0.228 32.730 32.500 0.004 0.000 1.060 264 K HN -0.167 nan 8.250 nan 0.000 0.448 265 P HA 0.018 nan 4.420 nan 0.000 0.276 265 P C 0.554 177.863 177.300 0.016 0.000 1.253 265 P CA -0.282 62.826 63.100 0.014 0.000 0.766 265 P CB 0.676 32.386 31.700 0.016 0.000 0.845 266 V N 3.846 123.774 119.914 0.023 0.000 2.982 266 V HA -0.149 3.971 4.120 -0.000 0.000 0.265 266 V C 1.086 177.202 176.094 0.038 0.000 1.122 266 V CA 1.410 63.726 62.300 0.026 0.000 1.143 266 V CB -0.867 30.977 31.823 0.036 0.000 0.726 266 V HN 0.505 nan 8.190 nan 0.000 0.507 267 I N 0.523 121.121 120.570 0.047 0.000 2.420 267 I HA 0.468 4.638 4.170 -0.000 0.000 0.282 267 I C 0.837 176.978 176.117 0.039 0.000 1.019 267 I CA -0.290 61.041 61.300 0.050 0.000 1.130 267 I CB 1.171 39.221 38.000 0.084 0.000 1.262 267 I HN 0.143 nan 8.210 nan 0.000 0.454 268 G N 4.683 113.504 108.800 0.036 0.000 2.634 268 G HA2 0.383 4.343 3.960 -0.000 0.000 0.255 268 G HA3 0.383 4.343 3.960 -0.000 0.000 0.255 268 G C 0.115 175.039 174.900 0.039 0.000 1.205 268 G CA -0.386 44.738 45.100 0.040 0.000 0.884 268 G HN 0.517 nan 8.290 nan 0.000 0.549 269 V N -0.436 119.502 119.914 0.039 0.000 2.881 269 V HA 0.640 4.760 4.120 -0.000 0.000 0.303 269 V C 1.321 177.441 176.094 0.044 0.000 1.070 269 V CA 0.731 63.052 62.300 0.035 0.000 1.074 269 V CB 0.810 32.651 31.823 0.029 0.000 1.012 269 V HN 2.382 nan 8.190 nan 0.000 0.482 270 G N 2.818 111.640 108.800 0.037 0.000 2.176 270 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.253 270 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.253 270 G C -0.117 174.807 174.900 0.039 0.000 0.979 270 G CA 0.225 45.350 45.100 0.041 0.000 0.641 270 G HN 1.018 nan 8.290 nan 0.000 0.530 271 L N 1.558 122.798 121.223 0.029 0.000 2.399 271 L HA 0.603 4.942 4.340 -0.000 0.000 0.266 271 L C 1.522 178.410 176.870 0.029 0.000 1.114 271 L CA -0.102 54.743 54.840 0.009 0.000 0.804 271 L CB 1.313 43.352 42.059 -0.034 0.000 1.146 271 L HN 0.404 nan 8.230 nan 0.000 0.451 272 S N -0.224 115.503 115.700 0.045 0.000 2.641 272 S HA 0.039 4.509 4.470 -0.000 0.000 0.261 272 S C 0.850 175.502 174.600 0.086 0.000 1.257 272 S CA -0.140 58.117 58.200 0.095 0.000 0.983 272 S CB 0.846 64.153 63.200 0.178 0.000 0.990 272 S HN 0.742 nan 8.310 nan 0.000 0.572 273 D N 1.076 121.559 120.400 0.137 0.000 2.117 273 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 273 D C 1.900 178.321 176.300 0.201 0.000 0.982 273 D CA 1.674 55.781 54.000 0.177 0.000 0.828 273 D CB -1.164 39.758 40.800 0.203 0.000 0.967 273 D HN 0.533 nan 8.370 nan 0.000 0.464 274 S N 0.719 116.578 115.700 0.264 0.000 2.406 274 S HA 0.061 4.531 4.470 -0.000 0.000 0.228 274 S C 2.280 176.842 174.600 -0.063 0.000 1.020 274 S CA 0.700 59.060 58.200 0.267 0.000 0.965 274 S CB -0.843 62.687 63.200 0.550 0.000 0.798 274 S HN 0.508 nan 8.310 nan 0.000 0.488 275 G N 2.383 110.987 108.800 -0.326 0.000 2.514 275 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 275 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 275 G C 1.551 176.172 174.900 -0.464 0.000 1.198 275 G CA 1.342 45.806 45.100 -1.061 0.000 0.780 275 G HN 0.561 nan 8.290 nan 0.000 0.565 276 S N 0.418 116.023 115.700 -0.158 0.000 2.400 276 S HA -0.116 4.354 4.470 -0.000 0.000 0.232 276 S C 2.139 176.704 174.600 -0.059 0.000 1.025 276 S CA 1.198 59.389 58.200 -0.015 0.000 0.993 276 S CB -0.252 63.042 63.200 0.157 0.000 0.808 276 S HN 0.284 nan 8.310 nan 0.000 0.478 277 L N 2.235 123.395 121.223 -0.105 0.000 2.056 277 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 277 L C 1.886 178.575 176.870 -0.303 0.000 1.078 277 L CA 1.874 56.484 54.840 -0.383 0.000 0.749 277 L CB -0.777 41.133 42.059 -0.248 0.000 0.901 277 L HN 0.111 nan 8.230 nan 0.000 0.433 278 D N -1.265 119.006 120.400 -0.215 0.000 2.104 278 D HA -0.223 4.417 4.640 -0.000 0.000 0.194 278 D C 1.998 178.238 176.300 -0.100 0.000 0.994 278 D CA 1.864 55.772 54.000 -0.153 0.000 0.830 278 D CB -0.150 40.550 40.800 -0.167 0.000 0.959 278 D HN 0.370 nan 8.370 nan 0.000 0.452 279 T N -0.724 113.753 114.554 -0.129 0.000 2.597 279 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 279 T C 2.001 176.658 174.700 -0.072 0.000 1.053 279 T CA 1.951 64.007 62.100 -0.073 0.000 1.165 279 T CB -0.483 68.345 68.868 -0.067 0.000 0.863 279 T HN 0.000 nan 8.240 nan 0.000 0.427 280 V N 0.662 120.492 119.914 -0.141 0.000 2.270 280 V HA -0.084 4.036 4.120 -0.000 0.000 0.245 280 V C 1.993 177.989 176.094 -0.163 0.000 1.043 280 V CA 1.684 63.882 62.300 -0.171 0.000 1.014 280 V CB -0.822 30.818 31.823 -0.305 0.000 0.645 280 V HN 0.419 nan 8.190 nan 0.000 0.447 281 F N 1.014 120.761 119.950 -0.337 0.000 2.147 281 F HA -0.260 4.266 4.527 -0.000 0.000 0.301 281 F C 2.413 178.084 175.800 -0.215 0.000 1.084 281 F CA 2.307 60.143 58.000 -0.274 0.000 1.268 281 F CB -0.173 38.667 39.000 -0.266 0.000 1.009 281 F HN 0.227 nan 8.300 nan 0.000 0.486 282 E N -0.377 119.850 120.200 0.045 0.000 2.017 282 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 282 E C 2.264 178.732 176.600 -0.220 0.000 0.997 282 E CA 1.746 58.084 56.400 -0.103 0.000 0.804 282 E CB -0.233 29.335 29.700 -0.220 0.000 0.757 282 E HN 0.266 nan 8.360 nan 0.000 0.448 283 V N 1.387 121.206 119.914 -0.157 0.000 2.332 283 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 283 V C 2.437 178.513 176.094 -0.029 0.000 1.055 283 V CA 1.935 64.199 62.300 -0.061 0.000 1.038 283 V CB -0.531 31.285 31.823 -0.011 0.000 0.651 283 V HN 0.369 nan 8.190 nan 0.000 0.450 284 M N -0.550 118.977 119.600 -0.122 0.000 2.159 284 M HA -0.128 4.351 4.480 -0.000 0.000 0.263 284 M C 2.216 178.405 176.300 -0.184 0.000 1.063 284 M CA 1.505 56.710 55.300 -0.158 0.000 1.110 284 M CB -0.558 31.887 32.600 -0.258 0.000 1.374 284 M HN 0.285 nan 8.290 nan 0.000 0.411 285 V N -0.285 119.500 119.914 -0.216 0.000 2.323 285 V HA -0.168 3.952 4.120 -0.000 0.000 0.244 285 V C 2.418 178.443 176.094 -0.115 0.000 1.041 285 V CA 1.384 63.579 62.300 -0.176 0.000 1.025 285 V CB -0.718 31.031 31.823 -0.124 0.000 0.656 285 V HN 0.349 nan 8.190 nan 0.000 0.451 286 R N 0.795 121.229 120.500 -0.110 0.000 2.139 286 R HA -0.098 4.242 4.340 -0.000 0.000 0.243 286 R C 1.997 178.296 176.300 -0.001 0.000 1.145 286 R CA 1.537 57.622 56.100 -0.025 0.000 0.976 286 R CB -1.182 29.092 30.300 -0.044 0.000 0.866 286 R HN 0.550 nan 8.270 nan 0.000 0.449 287 A N -1.699 121.094 122.820 -0.046 0.000 2.251 287 A HA 0.367 4.687 4.320 -0.000 0.000 0.209 287 A C 1.271 178.577 177.584 -0.464 0.000 1.187 287 A CA 0.960 52.745 52.037 -0.419 0.000 0.823 287 A CB 0.120 18.843 19.000 -0.461 0.000 0.846 287 A HN 0.405 nan 8.150 nan 0.000 0.486 288 G N -1.156 107.512 108.800 -0.220 0.000 2.624 288 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.190 288 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.190 288 G C 0.315 175.164 174.900 -0.085 0.000 1.008 288 G CA -0.432 44.585 45.100 -0.138 0.000 0.731 288 G HN 0.392 nan 8.290 nan 0.000 0.478 289 R N 1.511 121.941 120.500 -0.116 0.000 2.349 289 R HA 0.544 4.884 4.340 -0.000 0.000 0.299 289 R C 0.307 176.514 176.300 -0.155 0.000 1.027 289 R CA -0.172 55.856 56.100 -0.119 0.000 0.958 289 R CB 0.861 31.078 30.300 -0.138 0.000 1.047 289 R HN 0.133 nan 8.270 nan 0.000 0.468 290 T N 1.729 116.190 114.554 -0.155 0.000 2.848 290 T HA -0.125 4.225 4.350 -0.000 0.000 0.340 290 T C 1.535 176.053 174.700 -0.304 0.000 1.091 290 T CA 0.632 62.592 62.100 -0.232 0.000 1.123 290 T CB 0.698 69.341 68.868 -0.374 0.000 1.042 290 T HN 0.765 nan 8.240 nan 0.000 0.544 291 A N 4.708 127.368 122.820 -0.266 0.000 1.855 291 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 291 A C -0.150 177.281 177.584 -0.256 0.000 1.191 291 A CA 1.094 53.046 52.037 -0.142 0.000 0.613 291 A CB -1.687 17.354 19.000 0.067 0.000 0.829 291 A HN 0.631 nan 8.150 nan 0.000 0.442 292 P HA -0.214 nan 4.420 nan 0.000 0.214 292 P C 1.752 178.844 177.300 -0.347 0.000 1.163 292 P CA 1.383 64.233 63.100 -0.417 0.000 0.889 292 P CB -0.252 31.047 31.700 -0.669 0.000 0.790 293 M N -1.009 118.373 119.600 -0.363 0.000 2.106 293 M HA -0.134 4.346 4.480 -0.000 0.000 0.259 293 M C 1.952 178.081 176.300 -0.285 0.000 1.068 293 M CA 1.710 56.845 55.300 -0.274 0.000 1.100 293 M CB -1.305 31.171 32.600 -0.206 0.000 1.351 293 M HN -0.161 nan 8.290 nan 0.000 0.404 294 V N -0.312 119.367 119.914 -0.391 0.000 2.515 294 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 294 V C 2.472 178.337 176.094 -0.383 0.000 1.058 294 V CA 1.297 63.284 62.300 -0.523 0.000 1.064 294 V CB -0.850 30.372 31.823 -1.002 0.000 0.675 294 V HN 0.428 nan 8.190 nan 0.000 0.461 295 K N 0.196 120.461 120.400 -0.224 0.000 2.020 295 K HA -0.202 4.118 4.320 -0.000 0.000 0.212 295 K C 2.202 178.741 176.600 -0.101 0.000 1.050 295 K CA 2.017 58.270 56.287 -0.058 0.000 0.929 295 K CB -0.293 32.192 32.500 -0.025 0.000 0.714 295 K HN 0.372 nan 8.250 nan 0.000 0.443 296 M N 0.356 119.871 119.600 -0.142 0.000 2.084 296 M HA -0.231 4.249 4.480 -0.000 0.000 0.259 296 M C 2.452 178.679 176.300 -0.121 0.000 1.072 296 M CA 1.730 56.951 55.300 -0.131 0.000 1.107 296 M CB -0.682 31.816 32.600 -0.171 0.000 1.299 296 M HN 0.185 nan 8.290 nan 0.000 0.413 297 M N 0.211 119.720 119.600 -0.152 0.000 2.103 297 M HA -0.244 4.236 4.480 -0.000 0.000 0.255 297 M C 1.999 178.248 176.300 -0.084 0.000 1.074 297 M CA 1.840 57.060 55.300 -0.134 0.000 1.090 297 M CB -1.056 31.448 32.600 -0.159 0.000 1.325 297 M HN 0.335 nan 8.290 nan 0.000 0.403 298 L N -1.432 119.730 121.223 -0.101 0.000 2.554 298 L HA 0.137 4.477 4.340 -0.000 0.000 0.225 298 L C 0.524 177.454 176.870 0.100 0.000 1.104 298 L CA -0.177 54.653 54.840 -0.017 0.000 0.866 298 L CB 0.412 42.315 42.059 -0.261 0.000 1.047 298 L HN -0.016 nan 8.230 nan 0.000 0.468 299 V N 1.049 120.985 119.914 0.036 0.000 2.811 299 V HA 0.263 4.383 4.120 -0.000 0.000 0.266 299 V C -2.464 173.640 176.094 0.016 0.000 0.872 299 V CA -0.941 61.395 62.300 0.059 0.000 0.992 299 V CB 1.436 33.288 31.823 0.048 0.000 1.016 299 V HN -0.027 nan 8.190 nan 0.000 0.496 300 P HA 0.320 nan 4.420 nan 0.000 0.276 300 P C -0.636 176.663 177.300 -0.002 0.000 1.261 300 P CA -0.366 62.723 63.100 -0.020 0.000 0.800 300 P CB 0.628 32.312 31.700 -0.027 0.000 1.066 301 Q N 0.336 120.132 119.800 -0.006 0.000 2.249 301 Q HA 0.637 4.977 4.340 -0.000 0.000 0.226 301 Q C -0.592 175.417 176.000 0.015 0.000 0.983 301 Q CA -1.134 54.677 55.803 0.013 0.000 0.930 301 Q CB 0.575 29.325 28.738 0.021 0.000 1.193 301 Q HN 0.414 nan 8.270 nan 0.000 0.508 302 A N 1.537 124.371 122.820 0.023 0.000 2.440 302 A HA 0.224 4.544 4.320 -0.000 0.000 0.251 302 A C -0.126 177.470 177.584 0.019 0.000 1.089 302 A CA -0.586 51.462 52.037 0.019 0.000 0.779 302 A CB 0.164 19.176 19.000 0.021 0.000 1.022 302 A HN 0.686 nan 8.150 nan 0.000 0.492 303 L N 3.717 124.948 121.223 0.012 0.000 2.873 303 L HA 0.205 4.545 4.340 -0.000 0.000 0.236 303 L C 0.822 177.698 176.870 0.009 0.000 1.375 303 L CA 0.428 55.276 54.840 0.013 0.000 1.239 303 L CB -1.451 40.613 42.059 0.009 0.000 1.603 303 L HN 0.753 nan 8.230 nan 0.000 0.430 309 T N 4.376 118.883 114.554 -0.079 0.000 2.744 309 T HA 0.538 4.887 4.350 -0.000 0.000 0.291 309 T C -2.535 172.082 174.700 -0.139 0.000 0.957 309 T CA -0.970 61.078 62.100 -0.086 0.000 1.002 309 T CB 1.569 70.417 68.868 -0.033 0.000 0.919 309 T HN 0.029 nan 8.240 nan 0.000 0.468 310 P HA 0.184 nan 4.420 nan 0.000 0.271 310 P C 0.103 177.310 177.300 -0.155 0.000 1.238 310 P CA -0.262 62.685 63.100 -0.255 0.000 0.794 310 P CB 0.593 32.001 31.700 -0.486 0.000 0.959 311 D N -0.768 119.587 120.400 -0.074 0.000 2.194 311 D HA -0.122 4.518 4.640 -0.000 0.000 0.204 311 D C 1.522 177.849 176.300 0.045 0.000 0.964 311 D CA 0.791 54.786 54.000 -0.007 0.000 0.846 311 D CB -0.298 40.505 40.800 0.005 0.000 0.962 311 D HN 0.367 nan 8.370 nan 0.000 0.490 312 N N 1.254 119.996 118.700 0.070 0.000 2.007 312 N HA -0.248 4.492 4.740 -0.000 0.000 0.197 312 N C 1.533 177.165 175.510 0.203 0.000 1.050 312 N CA 1.503 54.650 53.050 0.161 0.000 0.856 312 N CB -1.226 37.392 38.487 0.218 0.000 1.050 312 N HN 0.474 nan 8.380 nan 0.000 0.423 313 H N 0.664 119.734 119.070 -0.000 0.000 2.357 313 H HA -0.070 4.485 4.556 -0.000 0.000 0.296 313 H C 2.021 177.322 175.328 -0.044 0.000 1.108 313 H CA 1.330 57.356 56.048 -0.037 0.000 1.273 313 H CB -0.021 29.729 29.762 -0.020 0.000 1.367 313 H HN 0.321 nan 8.280 nan 0.000 0.498 314 K N 0.578 121.045 120.400 0.112 0.000 2.103 314 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 314 K C 2.567 179.205 176.600 0.063 0.000 1.048 314 K CA 0.880 57.206 56.287 0.064 0.000 0.930 314 K CB -0.068 32.461 32.500 0.047 0.000 0.716 314 K HN 0.225 nan 8.250 nan 0.000 0.444 315 A N 1.353 124.224 122.820 0.085 0.000 1.845 315 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 315 A C 2.034 179.661 177.584 0.071 0.000 1.195 315 A CA 1.358 53.473 52.037 0.130 0.000 0.616 315 A CB -0.715 18.403 19.000 0.198 0.000 0.832 315 A HN 0.265 nan 8.150 nan 0.000 0.443 316 L N 0.537 121.686 121.223 -0.122 0.000 2.012 316 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 316 L C 2.283 179.016 176.870 -0.228 0.000 1.073 316 L CA 1.867 56.402 54.840 -0.508 0.000 0.748 316 L CB -0.816 40.799 42.059 -0.739 0.000 0.891 316 L HN 0.488 nan 8.230 nan 0.000 0.431 317 I N -0.874 119.625 120.570 -0.118 0.000 2.163 317 I HA -0.367 3.803 4.170 -0.000 0.000 0.243 317 I C 2.577 178.679 176.117 -0.025 0.000 1.085 317 I CA 1.570 62.830 61.300 -0.068 0.000 1.347 317 I CB -0.665 37.321 38.000 -0.024 0.000 1.044 317 I HN 0.442 nan 8.210 nan 0.000 0.408 318 Q N -0.099 119.717 119.800 0.026 0.000 2.096 318 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 318 Q C 2.227 178.285 176.000 0.097 0.000 0.982 318 Q CA 2.086 57.929 55.803 0.066 0.000 0.850 318 Q CB -0.330 28.478 28.738 0.117 0.000 0.901 318 Q HN 0.535 nan 8.270 nan 0.000 0.422 319 Y N 0.570 120.878 120.300 0.013 0.000 2.070 319 Y HA -0.347 4.203 4.550 -0.000 0.000 0.280 319 Y C 2.352 178.252 175.900 -0.000 0.000 1.148 319 Y CA 1.568 59.707 58.100 0.065 0.000 1.125 319 Y CB -0.815 37.666 38.460 0.036 0.000 0.975 319 Y HN 0.157 nan 8.280 nan 0.000 0.492 320 C N 1.438 120.632 119.300 -0.177 0.000 2.388 320 C HA -0.278 4.182 4.460 -0.000 0.000 0.277 320 C C 2.542 177.396 174.990 -0.227 0.000 1.210 320 C CA 1.619 60.472 59.018 -0.275 0.000 1.743 320 C CB -1.566 26.087 27.740 -0.145 0.000 2.047 320 C HN 0.664 nan 8.230 nan 0.000 0.458 321 N N 1.414 120.039 118.700 -0.124 0.000 2.258 321 N HA -0.137 4.603 4.740 -0.000 0.000 0.187 321 N C 1.798 177.246 175.510 -0.103 0.000 1.012 321 N CA 1.895 54.893 53.050 -0.087 0.000 0.870 321 N CB -0.346 38.111 38.487 -0.050 0.000 0.977 321 N HN 0.709 nan 8.380 nan 0.000 0.434 322 S N 0.353 115.976 115.700 -0.129 0.000 2.357 322 S HA -0.013 4.457 4.470 -0.000 0.000 0.221 322 S C 2.307 176.820 174.600 -0.146 0.000 1.031 322 S CA 0.642 58.775 58.200 -0.113 0.000 0.982 322 S CB -0.645 62.520 63.200 -0.058 0.000 0.853 322 S HN 0.014 nan 8.310 nan 0.000 0.458 323 V N 1.027 120.791 119.914 -0.251 0.000 2.283 323 V HA 0.166 4.286 4.120 -0.000 0.000 0.243 323 V C 0.943 176.953 176.094 -0.140 0.000 1.039 323 V CA 1.500 63.673 62.300 -0.212 0.000 1.016 323 V CB -0.494 31.125 31.823 -0.340 0.000 0.650 323 V HN 0.529 nan 8.190 nan 0.000 0.449 324 M N 0.062 119.573 119.600 -0.149 0.000 2.395 324 M HA 0.458 4.938 4.480 -0.000 0.000 0.307 324 M C -1.185 175.109 176.300 -0.010 0.000 1.091 324 M CA -0.498 54.749 55.300 -0.089 0.000 0.919 324 M CB 1.964 34.496 32.600 -0.113 0.000 1.662 324 M HN 0.213 nan 8.290 nan 0.000 0.440 325 E N 5.134 125.363 120.200 0.048 0.000 2.146 325 E HA 0.487 4.837 4.350 -0.000 0.000 0.282 325 E C -2.518 174.122 176.600 0.067 0.000 0.989 325 E CA -1.849 54.548 56.400 -0.005 0.000 0.799 325 E CB 0.115 29.745 29.700 -0.118 0.000 1.088 325 E HN 0.413 nan 8.360 nan 0.000 0.397 326 P HA -0.163 nan 4.420 nan 0.000 0.271 326 P C -1.054 176.283 177.300 0.062 0.000 1.197 326 P CA 0.329 63.513 63.100 0.139 0.000 0.777 326 P CB 0.368 32.114 31.700 0.077 0.000 0.827 327 W N 1.870 123.183 121.300 0.021 0.000 2.347 327 W HA 0.263 4.923 4.660 -0.000 0.000 0.321 327 W C 0.007 176.538 176.519 0.021 0.000 0.971 327 W CA 0.124 57.484 57.345 0.026 0.000 1.508 327 W CB 0.369 29.832 29.460 0.005 0.000 1.299 327 W HN 0.184 nan 8.180 nan 0.000 0.399 328 D N 0.980 121.433 120.400 0.088 0.000 2.277 328 D HA 0.736 5.376 4.640 -0.000 0.000 0.250 328 D C 0.374 176.724 176.300 0.084 0.000 1.032 328 D CA 0.152 54.201 54.000 0.082 0.000 0.947 328 D CB 1.940 42.767 40.800 0.046 0.000 1.159 328 D HN 0.482 nan 8.370 nan 0.000 0.460 329 G N 1.160 110.007 108.800 0.079 0.000 2.347 329 G HA2 0.137 4.097 3.960 -0.000 0.000 0.321 329 G HA3 0.137 4.097 3.960 -0.000 0.000 0.321 329 G C -3.099 171.856 174.900 0.091 0.000 1.412 329 G CA -1.065 44.083 45.100 0.080 0.000 0.990 329 G HN 0.328 nan 8.290 nan 0.000 0.637 330 P HA 0.475 nan 4.420 nan 0.000 0.268 330 P C -0.238 177.173 177.300 0.184 0.000 1.204 330 P CA 0.570 63.706 63.100 0.060 0.000 0.768 330 P CB 1.392 33.102 31.700 0.017 0.000 0.842 331 A N 2.549 125.480 122.820 0.184 0.000 2.541 331 A HA 0.616 4.936 4.320 -0.000 0.000 0.285 331 A C -0.883 176.824 177.584 0.206 0.000 1.058 331 A CA -0.486 51.731 52.037 0.299 0.000 0.886 331 A CB 0.573 19.748 19.000 0.291 0.000 1.411 331 A HN 0.465 nan 8.150 nan 0.000 0.403 332 A N 3.049 125.996 122.820 0.211 0.000 2.274 332 A HA 0.789 5.109 4.320 -0.000 0.000 0.309 332 A C -0.511 177.187 177.584 0.190 0.000 1.226 332 A CA -0.226 51.906 52.037 0.158 0.000 0.853 332 A CB 0.286 19.358 19.000 0.121 0.000 1.146 332 A HN 0.891 nan 8.150 nan 0.000 0.518 333 L N 1.827 123.121 121.223 0.118 0.000 2.381 333 L HA 0.765 5.105 4.340 -0.000 0.000 0.268 333 L C 0.120 176.983 176.870 -0.012 0.000 0.997 333 L CA -0.700 54.177 54.840 0.062 0.000 0.818 333 L CB 2.237 44.285 42.059 -0.019 0.000 1.310 333 L HN 0.768 nan 8.230 nan 0.000 0.416 334 A N 3.981 126.777 122.820 -0.040 0.000 2.343 334 A HA 0.939 5.259 4.320 -0.000 0.000 0.316 334 A C -0.777 176.686 177.584 -0.201 0.000 1.104 334 A CA -0.426 51.538 52.037 -0.122 0.000 0.768 334 A CB 1.594 20.590 19.000 -0.006 0.000 1.213 334 A HN 0.750 nan 8.150 nan 0.000 0.456 335 M N 0.731 120.164 119.600 -0.277 0.000 2.569 335 M HA 0.660 5.140 4.480 -0.000 0.000 0.279 335 M C -0.653 175.482 176.300 -0.274 0.000 1.253 335 M CA -0.201 54.899 55.300 -0.333 0.000 0.867 335 M CB 2.998 35.394 32.600 -0.342 0.000 1.727 335 M HN 0.716 nan 8.290 nan 0.000 0.467 336 T N 0.703 115.105 114.554 -0.254 0.000 3.435 336 T HA 0.388 4.738 4.350 -0.000 0.000 0.344 336 T C -1.815 172.837 174.700 -0.080 0.000 1.211 336 T CA -0.815 61.165 62.100 -0.201 0.000 1.104 336 T CB 0.683 69.291 68.868 -0.433 0.000 1.196 336 T HN 0.818 nan 8.240 nan 0.000 0.471 337 D N 2.777 123.188 120.400 0.019 0.000 2.453 337 D HA 0.400 5.040 4.640 -0.000 0.000 0.282 337 D C 1.587 177.872 176.300 -0.026 0.000 1.222 337 D CA 0.149 54.175 54.000 0.044 0.000 1.079 337 D CB -0.213 40.626 40.800 0.064 0.000 1.128 337 D HN 0.645 nan 8.370 nan 0.000 0.568 338 G N -1.845 106.945 108.800 -0.016 0.000 2.920 338 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.208 338 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.208 338 G C 1.353 176.188 174.900 -0.108 0.000 1.159 338 G CA 0.101 45.161 45.100 -0.067 0.000 0.784 338 G HN 0.446 nan 8.290 nan 0.000 0.535 339 R N -1.654 118.809 120.500 -0.062 0.000 2.257 339 R HA 0.195 4.535 4.340 -0.000 0.000 0.195 339 R C -0.233 175.915 176.300 -0.253 0.000 0.921 339 R CA -0.421 55.597 56.100 -0.135 0.000 1.069 339 R CB 0.354 30.605 30.300 -0.082 0.000 1.115 339 R HN 0.250 nan 8.270 nan 0.000 0.571 340 W N 0.682 121.870 121.300 -0.186 0.000 2.512 340 W HA 0.474 5.134 4.660 -0.000 0.000 0.335 340 W C -0.833 175.535 176.519 -0.252 0.000 1.088 340 W CA -0.529 56.693 57.345 -0.205 0.000 1.236 340 W CB 1.863 31.203 29.460 -0.200 0.000 1.307 340 W HN -0.326 nan 8.180 nan 0.000 0.567 341 V N 3.846 123.743 119.914 -0.027 0.000 2.487 341 V HA 0.587 4.707 4.120 -0.000 0.000 0.298 341 V C -0.563 175.434 176.094 -0.163 0.000 1.028 341 V CA -1.016 61.193 62.300 -0.152 0.000 0.860 341 V CB 1.230 32.969 31.823 -0.140 0.000 0.991 341 V HN 0.303 nan 8.190 nan 0.000 0.427 342 V N 2.807 122.562 119.914 -0.264 0.000 2.735 342 V HA 0.835 4.955 4.120 -0.000 0.000 0.310 342 V C 0.456 176.229 176.094 -0.535 0.000 1.061 342 V CA -0.534 61.575 62.300 -0.318 0.000 0.913 342 V CB 2.220 33.940 31.823 -0.172 0.000 1.005 342 V HN 0.943 nan 8.190 nan 0.000 0.428 343 G N 1.307 109.766 108.800 -0.567 0.000 2.417 343 G HA2 0.695 4.655 3.960 -0.000 0.000 0.320 343 G HA3 0.695 4.655 3.960 -0.000 0.000 0.320 343 G C -0.259 174.566 174.900 -0.124 0.000 1.204 343 G CA -0.224 44.613 45.100 -0.438 0.000 0.923 343 G HN 1.135 nan 8.290 nan 0.000 0.466 344 G N 0.357 109.126 108.800 -0.051 0.000 2.619 344 G HA2 0.614 4.574 3.960 -0.000 0.000 0.296 344 G HA3 0.614 4.574 3.960 -0.000 0.000 0.296 344 G C -1.170 173.756 174.900 0.043 0.000 1.334 344 G CA -0.843 44.255 45.100 -0.004 0.000 0.934 344 G HN 0.716 nan 8.290 nan 0.000 0.476 345 M N 0.898 120.528 119.600 0.049 0.000 2.591 345 M HA 0.458 4.938 4.480 -0.000 0.000 0.306 345 M C -0.229 176.106 176.300 0.058 0.000 1.190 345 M CA -0.865 54.475 55.300 0.067 0.000 0.889 345 M CB 1.883 34.528 32.600 0.075 0.000 1.728 345 M HN 0.750 nan 8.290 nan 0.000 0.458 346 D N 1.603 122.044 120.400 0.068 0.000 2.346 346 D HA 0.139 4.779 4.640 -0.000 0.000 0.249 346 D C 0.566 176.895 176.300 0.048 0.000 1.308 346 D CA 0.107 54.144 54.000 0.061 0.000 0.987 346 D CB 0.437 41.279 40.800 0.070 0.000 1.114 346 D HN 0.732 nan 8.370 nan 0.000 0.529 347 R N -1.229 119.296 120.500 0.042 0.000 2.280 347 R HA 0.102 4.442 4.340 -0.000 0.000 0.207 347 R C 0.237 176.558 176.300 0.034 0.000 1.043 347 R CA 0.588 56.709 56.100 0.036 0.000 1.006 347 R CB -0.441 29.878 30.300 0.032 0.000 0.885 347 R HN 0.199 nan 8.270 nan 0.000 0.467 348 N N 0.346 119.062 118.700 0.026 0.000 2.234 348 N HA 0.148 4.888 4.740 -0.000 0.000 0.227 348 N C -0.132 175.398 175.510 0.033 0.000 1.151 348 N CA 0.527 53.589 53.050 0.020 0.000 0.865 348 N CB 1.403 39.877 38.487 -0.021 0.000 1.066 348 N HN 0.422 nan 8.380 nan 0.000 0.515 349 G N 1.157 109.987 108.800 0.051 0.000 2.395 349 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.300 349 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.300 349 G C 0.669 175.619 174.900 0.083 0.000 0.998 349 G CA 0.226 45.371 45.100 0.075 0.000 1.046 349 G HN 0.412 nan 8.290 nan 0.000 0.513 350 L N -1.316 119.929 121.223 0.037 0.000 2.558 350 L HA 0.240 4.580 4.340 -0.000 0.000 0.225 350 L C 1.413 178.366 176.870 0.139 0.000 1.128 350 L CA 0.404 55.240 54.840 -0.007 0.000 0.868 350 L CB -0.196 41.745 42.059 -0.197 0.000 1.006 350 L HN 0.240 nan 8.230 nan 0.000 0.454 351 R N 0.411 120.990 120.500 0.132 0.000 2.771 351 R HA 0.465 4.805 4.340 -0.000 0.000 0.274 351 R C -2.625 173.735 176.300 0.100 0.000 0.987 351 R CA -1.828 54.350 56.100 0.130 0.000 0.908 351 R CB 1.327 31.686 30.300 0.099 0.000 1.213 351 R HN -0.240 nan 8.270 nan 0.000 0.468 352 P HA 0.314 nan 4.420 nan 0.000 0.278 352 P C -0.865 176.463 177.300 0.046 0.000 1.238 352 P CA -0.452 62.668 63.100 0.035 0.000 0.794 352 P CB 1.168 32.858 31.700 -0.017 0.000 0.955 353 M N 2.366 121.994 119.600 0.048 0.000 2.356 353 M HA 0.276 4.756 4.480 -0.000 0.000 0.215 353 M C -1.344 174.998 176.300 0.070 0.000 0.978 353 M CA -0.202 55.146 55.300 0.081 0.000 0.972 353 M CB 1.200 33.884 32.600 0.139 0.000 2.529 353 M HN 0.121 nan 8.290 nan 0.000 0.447 354 R N 2.913 123.431 120.500 0.029 0.000 2.643 354 R HA 0.777 5.117 4.340 -0.000 0.000 0.272 354 R C -1.419 174.906 176.300 0.042 0.000 0.995 354 R CA -0.415 55.665 56.100 -0.034 0.000 1.032 354 R CB 1.681 31.946 30.300 -0.058 0.000 1.126 354 R HN 0.761 nan 8.270 nan 0.000 0.505 355 Y N -2.919 117.377 120.300 -0.006 0.000 2.581 355 Y HA 0.543 5.093 4.550 -0.000 0.000 0.337 355 Y C -1.280 174.612 175.900 -0.014 0.000 1.108 355 Y CA -1.002 57.081 58.100 -0.027 0.000 1.033 355 Y CB 1.355 39.828 38.460 0.022 0.000 1.318 355 Y HN 0.364 nan 8.280 nan 0.000 0.459 356 T N 4.420 119.166 114.554 0.319 0.000 2.863 356 T HA 0.665 5.015 4.350 -0.000 0.000 0.285 356 T C -0.826 173.993 174.700 0.199 0.000 1.009 356 T CA -0.572 61.654 62.100 0.211 0.000 0.989 356 T CB 1.028 69.944 68.868 0.080 0.000 1.004 356 T HN 0.613 nan 8.240 nan 0.000 0.455 357 I N 3.246 123.918 120.570 0.169 0.000 2.433 357 I HA 0.415 4.585 4.170 -0.000 0.000 0.292 357 I C 0.754 176.912 176.117 0.067 0.000 1.001 357 I CA -0.762 60.599 61.300 0.102 0.000 1.119 357 I CB 2.114 40.175 38.000 0.102 0.000 1.289 357 I HN 0.699 nan 8.210 nan 0.000 0.438 358 T N -0.185 114.397 114.554 0.047 0.000 2.948 358 T HA 0.262 4.612 4.350 -0.000 0.000 0.285 358 T C 1.092 175.808 174.700 0.027 0.000 1.019 358 T CA -0.228 61.892 62.100 0.033 0.000 1.013 358 T CB 1.710 70.595 68.868 0.027 0.000 1.117 358 T HN 0.720 nan 8.240 nan 0.000 0.533 359 T N -1.432 113.135 114.554 0.021 0.000 2.904 359 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 359 T C 1.298 176.007 174.700 0.016 0.000 1.059 359 T CA 1.152 63.262 62.100 0.017 0.000 1.137 359 T CB -0.750 68.126 68.868 0.014 0.000 0.879 359 T HN 0.780 nan 8.240 nan 0.000 0.467 360 D N 1.860 122.270 120.400 0.016 0.000 2.392 360 D HA 0.131 4.771 4.640 -0.000 0.000 0.228 360 D C 1.505 177.816 176.300 0.018 0.000 1.003 360 D CA 0.632 54.641 54.000 0.015 0.000 0.917 360 D CB -1.121 39.688 40.800 0.014 0.000 0.890 360 D HN 0.715 nan 8.370 nan 0.000 0.532 361 G N -0.324 108.488 108.800 0.020 0.000 2.171 361 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.238 361 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.238 361 G C -0.404 174.513 174.900 0.028 0.000 1.039 361 G CA 0.099 45.212 45.100 0.021 0.000 0.759 361 G HN 0.340 nan 8.290 nan 0.000 0.501 362 L N -0.358 120.884 121.223 0.032 0.000 2.313 362 L HA 0.905 5.245 4.340 -0.000 0.000 0.268 362 L C 0.253 177.148 176.870 0.042 0.000 1.010 362 L CA -1.405 53.459 54.840 0.040 0.000 0.814 362 L CB 1.912 43.992 42.059 0.035 0.000 1.304 362 L HN 0.318 nan 8.230 nan 0.000 0.441 363 I N 2.230 122.832 120.570 0.053 0.000 2.468 363 I HA 0.514 4.684 4.170 -0.000 0.000 0.285 363 I C -1.392 174.724 176.117 -0.001 0.000 1.039 363 I CA -0.292 61.032 61.300 0.041 0.000 1.074 363 I CB 1.009 39.039 38.000 0.050 0.000 1.228 363 I HN 0.424 nan 8.210 nan 0.000 0.436 364 I N 7.779 128.318 120.570 -0.050 0.000 2.354 364 I HA 0.517 4.687 4.170 -0.000 0.000 0.286 364 I C 0.568 176.504 176.117 -0.301 0.000 1.007 364 I CA -0.427 60.787 61.300 -0.142 0.000 1.167 364 I CB 1.509 39.486 38.000 -0.038 0.000 1.320 364 I HN 0.616 nan 8.210 nan 0.000 0.458 365 G N 3.504 111.777 108.800 -0.877 0.000 2.389 365 G HA2 0.807 4.767 3.960 -0.000 0.000 0.328 365 G HA3 0.807 4.767 3.960 -0.000 0.000 0.328 365 G C -0.402 174.197 174.900 -0.501 0.000 1.133 365 G CA -0.599 43.886 45.100 -1.025 0.000 0.891 365 G HN 0.813 nan 8.290 nan 0.000 0.485 366 G N -0.912 107.795 108.800 -0.155 0.000 2.606 366 G HA2 0.444 4.404 3.960 -0.000 0.000 0.300 366 G HA3 0.444 4.404 3.960 -0.000 0.000 0.300 366 G C 0.207 175.113 174.900 0.010 0.000 1.360 366 G CA 0.595 45.667 45.100 -0.046 0.000 0.783 366 G HN 0.649 nan 8.290 nan 0.000 0.484 367 S N -1.082 114.628 115.700 0.017 0.000 2.510 367 S HA 0.211 4.681 4.470 -0.000 0.000 0.230 367 S C 0.899 175.497 174.600 -0.003 0.000 1.066 367 S CA 1.007 59.215 58.200 0.013 0.000 0.941 367 S CB -0.174 63.031 63.200 0.008 0.000 0.829 367 S HN 0.653 nan 8.310 nan 0.000 0.530 368 E N -0.499 119.704 120.200 0.005 0.000 2.405 368 E HA 0.395 4.745 4.350 -0.000 0.000 0.249 368 E C 0.117 176.711 176.600 -0.010 0.000 1.028 368 E CA -0.412 55.981 56.400 -0.012 0.000 0.897 368 E CB 0.825 30.522 29.700 -0.006 0.000 1.262 368 E HN 0.035 nan 8.360 nan 0.000 0.442 369 T N -1.515 113.027 114.554 -0.020 0.000 2.969 369 T HA 0.191 4.541 4.350 -0.000 0.000 0.250 369 T C 0.919 175.611 174.700 -0.015 0.000 1.021 369 T CA 0.439 62.526 62.100 -0.021 0.000 1.003 369 T CB -0.176 68.669 68.868 -0.038 0.000 1.040 369 T HN 0.538 nan 8.240 nan 0.000 0.492 370 G N 1.540 110.333 108.800 -0.012 0.000 3.943 370 G HA2 0.355 4.315 3.960 -0.000 0.000 0.275 370 G HA3 0.355 4.315 3.960 -0.000 0.000 0.275 370 G C 0.854 175.742 174.900 -0.020 0.000 1.234 370 G CA -0.393 44.700 45.100 -0.012 0.000 1.522 370 G HN 0.439 nan 8.290 nan 0.000 0.636 371 M N -0.284 119.304 119.600 -0.019 0.000 2.514 371 M HA 0.158 4.638 4.480 -0.000 0.000 0.258 371 M C -0.107 176.167 176.300 -0.043 0.000 1.119 371 M CA 0.764 56.044 55.300 -0.033 0.000 1.111 371 M CB 0.731 33.328 32.600 -0.005 0.000 1.390 371 M HN 0.033 nan 8.290 nan 0.000 0.475 372 V N 1.122 121.017 119.914 -0.031 0.000 2.655 372 V HA 0.198 4.318 4.120 -0.000 0.000 0.301 372 V C -0.270 175.811 176.094 -0.021 0.000 1.082 372 V CA -1.315 60.963 62.300 -0.036 0.000 0.899 372 V CB 2.416 34.217 31.823 -0.037 0.000 1.014 372 V HN 0.137 nan 8.190 nan 0.000 0.429 373 K N 5.283 125.673 120.400 -0.017 0.000 2.489 373 K HA 0.398 4.718 4.320 -0.000 0.000 0.278 373 K C -1.060 175.536 176.600 -0.006 0.000 1.000 373 K CA 0.309 56.591 56.287 -0.009 0.000 1.012 373 K CB 0.355 32.851 32.500 -0.006 0.000 0.903 373 K HN 0.631 nan 8.250 nan 0.000 0.485 374 I N 2.806 123.376 120.570 -0.001 0.000 2.692 374 I HA 0.072 4.241 4.170 -0.000 0.000 0.293 374 I C -0.923 175.197 176.117 0.004 0.000 1.200 374 I CA -1.090 60.212 61.300 0.003 0.000 1.036 374 I CB 2.083 40.087 38.000 0.006 0.000 1.258 374 I HN 0.649 nan 8.210 nan 0.000 0.421 375 D N 4.264 124.667 120.400 0.005 0.000 2.350 375 D HA 0.092 4.732 4.640 -0.000 0.000 0.249 375 D C 1.094 177.398 176.300 0.006 0.000 1.119 375 D CA 0.131 54.134 54.000 0.005 0.000 0.886 375 D CB 1.343 42.145 40.800 0.004 0.000 1.195 375 D HN 0.382 nan 8.370 nan 0.000 0.437 376 E N 1.591 121.793 120.200 0.005 0.000 2.077 376 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 376 E C 1.725 178.328 176.600 0.005 0.000 0.989 376 E CA 0.992 57.395 56.400 0.005 0.000 0.800 376 E CB -0.299 29.402 29.700 0.003 0.000 0.746 376 E HN 0.569 nan 8.360 nan 0.000 0.452 377 T N 1.321 115.878 114.554 0.005 0.000 2.755 377 T HA -0.229 4.121 4.350 -0.000 0.000 0.266 377 T C 1.340 176.044 174.700 0.007 0.000 1.041 377 T CA 1.645 63.748 62.100 0.005 0.000 1.147 377 T CB -0.084 68.786 68.868 0.004 0.000 0.847 377 T HN 0.225 nan 8.240 nan 0.000 0.478 378 Q N -0.054 119.751 119.800 0.009 0.000 2.188 378 Q HA 0.257 4.597 4.340 -0.000 0.000 0.212 378 Q C -0.523 175.487 176.000 0.015 0.000 0.846 378 Q CA -0.262 55.548 55.803 0.011 0.000 0.989 378 Q CB 1.063 29.807 28.738 0.010 0.000 1.114 378 Q HN 0.261 nan 8.270 nan 0.000 0.488 379 V N 2.355 122.278 119.914 0.015 0.000 2.432 379 V HA 0.113 4.233 4.120 -0.000 0.000 0.275 379 V C 1.041 177.148 176.094 0.023 0.000 1.043 379 V CA -0.058 62.255 62.300 0.021 0.000 0.925 379 V CB 0.923 32.756 31.823 0.017 0.000 0.985 379 V HN 0.394 nan 8.190 nan 0.000 0.466 380 I N 1.206 121.796 120.570 0.033 0.000 3.645 380 I HA 0.464 4.634 4.170 -0.000 0.000 0.300 380 I C 0.559 176.701 176.117 0.041 0.000 1.260 380 I CA 0.558 61.878 61.300 0.032 0.000 1.365 380 I CB 0.437 38.457 38.000 0.032 0.000 1.077 380 I HN 0.736 nan 8.210 nan 0.000 0.439 381 E N 1.675 121.910 120.200 0.058 0.000 2.451 381 E HA 0.332 4.682 4.350 -0.000 0.000 0.295 381 E C -1.642 175.002 176.600 0.073 0.000 0.966 381 E CA -0.732 55.710 56.400 0.071 0.000 0.808 381 E CB 1.444 31.218 29.700 0.123 0.000 1.242 381 E HN 0.189 nan 8.360 nan 0.000 0.412 382 K N 2.620 123.016 120.400 -0.006 0.000 2.413 382 K HA 0.585 4.905 4.320 -0.000 0.000 0.257 382 K C -0.298 176.155 176.600 -0.244 0.000 0.946 382 K CA -0.716 55.516 56.287 -0.092 0.000 0.823 382 K CB 2.077 34.529 32.500 -0.079 0.000 1.109 382 K HN 0.551 nan 8.250 nan 0.000 0.427 383 G N 2.007 110.415 108.800 -0.652 0.000 3.251 383 G HA2 0.727 4.687 3.960 -0.000 0.000 0.248 383 G HA3 0.727 4.687 3.960 -0.000 0.000 0.248 383 G C -0.975 173.400 174.900 -0.876 0.000 1.320 383 G CA -0.712 43.881 45.100 -0.845 0.000 0.982 383 G HN 0.639 nan 8.290 nan 0.000 0.575 384 R N -2.056 118.083 120.500 -0.601 0.000 2.728 384 R HA 0.560 4.900 4.340 -0.000 0.000 0.274 384 R C -2.163 174.150 176.300 0.021 0.000 1.030 384 R CA -0.894 55.072 56.100 -0.222 0.000 0.876 384 R CB 0.711 30.934 30.300 -0.128 0.000 1.259 384 R HN 0.389 nan 8.270 nan 0.000 0.468 385 L N 1.238 122.528 121.223 0.113 0.000 2.307 385 L HA 0.639 4.979 4.340 -0.000 0.000 0.284 385 L C 0.619 177.543 176.870 0.089 0.000 1.023 385 L CA 0.027 54.952 54.840 0.140 0.000 0.810 385 L CB 1.284 43.438 42.059 0.159 0.000 1.231 385 L HN 0.969 nan 8.230 nan 0.000 0.423 386 G N 3.341 112.189 108.800 0.079 0.000 2.642 386 G HA2 0.633 4.593 3.960 -0.000 0.000 0.291 386 G HA3 0.633 4.593 3.960 -0.000 0.000 0.291 386 G C -2.757 172.188 174.900 0.074 0.000 1.345 386 G CA -1.391 43.751 45.100 0.069 0.000 1.043 386 G HN 0.406 nan 8.290 nan 0.000 0.528 387 P HA 0.158 nan 4.420 nan 0.000 0.266 387 P C 1.001 178.337 177.300 0.061 0.000 1.195 387 P CA 1.459 64.599 63.100 0.066 0.000 0.768 387 P CB 0.837 32.576 31.700 0.065 0.000 0.838 388 G N 1.449 110.281 108.800 0.052 0.000 2.216 388 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.269 388 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.269 388 G C 0.114 175.038 174.900 0.040 0.000 0.981 388 G CA 0.482 45.607 45.100 0.042 0.000 0.658 388 G HN 0.648 nan 8.290 nan 0.000 0.539 389 E N 0.299 120.532 120.200 0.055 0.000 2.312 389 E HA 0.692 5.042 4.350 -0.000 0.000 0.259 389 E C 0.908 177.535 176.600 0.044 0.000 1.122 389 E CA -0.344 56.089 56.400 0.055 0.000 0.922 389 E CB 0.732 30.481 29.700 0.081 0.000 1.109 389 E HN 0.637 nan 8.360 nan 0.000 0.442 390 M N 0.122 119.742 119.600 0.032 0.000 2.719 390 M HA 0.720 5.200 4.480 -0.000 0.000 0.291 390 M C -1.181 175.137 176.300 0.030 0.000 1.264 390 M CA -1.132 54.174 55.300 0.010 0.000 0.811 390 M CB 2.026 34.599 32.600 -0.044 0.000 1.756 390 M HN 0.646 nan 8.290 nan 0.000 0.464 391 I N 0.728 121.293 120.570 -0.008 0.000 2.752 391 I HA 0.869 5.039 4.170 -0.000 0.000 0.295 391 I C -1.995 174.091 176.117 -0.051 0.000 1.219 391 I CA -0.297 61.000 61.300 -0.006 0.000 1.030 391 I CB 2.159 40.133 38.000 -0.042 0.000 1.259 391 I HN 1.068 nan 8.210 nan 0.000 0.423 392 A N 5.826 128.661 122.820 0.025 0.000 2.594 392 A HA 0.826 5.145 4.320 -0.000 0.000 0.295 392 A C -1.975 175.678 177.584 0.116 0.000 1.071 392 A CA -0.551 51.522 52.037 0.060 0.000 0.685 392 A CB 1.925 21.008 19.000 0.138 0.000 1.285 392 A HN 0.441 nan 8.150 nan 0.000 0.405 393 V N 1.614 121.555 119.914 0.045 0.000 2.555 393 V HA 0.440 4.560 4.120 -0.000 0.000 0.302 393 V C -0.877 175.022 176.094 -0.326 0.000 1.038 393 V CA -0.554 61.714 62.300 -0.054 0.000 0.887 393 V CB 1.902 33.700 31.823 -0.042 0.000 0.991 393 V HN 0.907 nan 8.190 nan 0.000 0.434 394 D N 3.912 123.931 120.400 -0.634 0.000 2.428 394 D HA 0.283 4.923 4.640 -0.000 0.000 0.221 394 D C 0.906 176.890 176.300 -0.526 0.000 1.123 394 D CA -0.176 53.157 54.000 -1.111 0.000 0.869 394 D CB 1.301 41.253 40.800 -1.414 0.000 1.032 394 D HN 0.452 nan 8.370 nan 0.000 0.506 395 L N 2.700 123.675 121.223 -0.413 0.000 2.265 395 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 395 L C 2.268 179.031 176.870 -0.178 0.000 1.117 395 L CA 0.828 55.541 54.840 -0.212 0.000 0.782 395 L CB -0.135 41.837 42.059 -0.144 0.000 0.914 395 L HN 0.438 nan 8.230 nan 0.000 0.441 396 Q N -0.450 119.208 119.800 -0.237 0.000 2.123 396 Q HA -0.082 4.258 4.340 -0.000 0.000 0.199 396 Q C 1.876 177.803 176.000 -0.120 0.000 0.966 396 Q CA 1.663 57.377 55.803 -0.149 0.000 0.845 396 Q CB 0.107 28.764 28.738 -0.135 0.000 0.907 396 Q HN 0.510 nan 8.270 nan 0.000 0.439 397 S N -0.879 114.728 115.700 -0.155 0.000 2.539 397 S HA 0.274 4.743 4.470 -0.000 0.000 0.221 397 S C 0.901 175.458 174.600 -0.072 0.000 0.987 397 S CA 0.090 58.239 58.200 -0.085 0.000 0.929 397 S CB 0.989 64.150 63.200 -0.065 0.000 0.832 397 S HN 0.468 nan 8.310 nan 0.000 0.492 398 G N 2.688 111.428 108.800 -0.100 0.000 2.372 398 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.290 398 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.290 398 G C -0.431 174.446 174.900 -0.039 0.000 0.965 398 G CA 0.107 45.168 45.100 -0.065 0.000 1.263 398 G HN 0.522 nan 8.290 nan 0.000 0.498 399 K N -0.362 120.020 120.400 -0.030 0.000 2.427 399 K HA 0.622 4.942 4.320 -0.000 0.000 0.252 399 K C -0.575 176.093 176.600 0.113 0.000 0.931 399 K CA -1.216 55.090 56.287 0.032 0.000 0.793 399 K CB 2.597 35.152 32.500 0.091 0.000 1.211 399 K HN 0.165 nan 8.250 nan 0.000 0.426 400 L N 2.503 123.769 121.223 0.071 0.000 2.307 400 L HA 0.402 4.742 4.340 -0.000 0.000 0.282 400 L C -1.565 175.407 176.870 0.171 0.000 1.051 400 L CA -0.115 54.799 54.840 0.123 0.000 0.804 400 L CB 0.342 42.421 42.059 0.033 0.000 1.197 400 L HN 0.423 nan 8.230 nan 0.000 0.431 401 Y N 4.542 124.853 120.300 0.019 0.000 2.328 401 Y HA 0.567 5.117 4.550 -0.000 0.000 0.336 401 Y C 0.396 176.312 175.900 0.027 0.000 0.960 401 Y CA -0.614 57.513 58.100 0.044 0.000 1.134 401 Y CB 1.297 39.815 38.460 0.096 0.000 1.166 401 Y HN 0.584 nan 8.280 nan 0.000 0.464 402 R N 1.041 121.621 120.500 0.133 0.000 2.649 402 R HA 0.038 4.378 4.340 -0.000 0.000 0.270 402 R C 1.232 177.606 176.300 0.123 0.000 1.105 402 R CA -0.280 55.883 56.100 0.107 0.000 1.193 402 R CB 0.489 30.842 30.300 0.089 0.000 1.120 402 R HN 0.760 nan 8.270 nan 0.000 0.561 403 D N 1.163 121.629 120.400 0.110 0.000 2.160 403 D HA -0.252 4.388 4.640 -0.000 0.000 0.189 403 D C 1.749 178.111 176.300 0.102 0.000 1.003 403 D CA 1.855 55.912 54.000 0.095 0.000 0.846 403 D CB 0.078 40.935 40.800 0.095 0.000 0.949 403 D HN 0.435 nan 8.370 nan 0.000 0.446 404 R N 0.242 120.819 120.500 0.128 0.000 2.103 404 R HA -0.213 4.127 4.340 -0.000 0.000 0.234 404 R C 2.292 178.689 176.300 0.162 0.000 1.132 404 R CA 2.215 58.421 56.100 0.176 0.000 0.925 404 R CB -0.211 30.182 30.300 0.155 0.000 0.842 404 R HN 0.052 nan 8.270 nan 0.000 0.430 405 E N 0.642 120.924 120.200 0.137 0.000 2.136 405 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 405 E C 1.804 178.560 176.600 0.260 0.000 1.019 405 E CA 1.558 58.043 56.400 0.141 0.000 0.819 405 E CB -0.428 29.298 29.700 0.043 0.000 0.739 405 E HN 0.336 nan 8.360 nan 0.000 0.458 406 L N 0.658 122.043 121.223 0.271 0.000 2.093 406 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 406 L C 1.667 178.579 176.870 0.069 0.000 1.085 406 L CA 1.752 56.742 54.840 0.250 0.000 0.755 406 L CB -0.059 42.058 42.059 0.098 0.000 0.904 406 L HN -0.059 nan 8.230 nan 0.000 0.435 407 K N -0.518 119.846 120.400 -0.060 0.000 2.155 407 K HA -0.108 4.212 4.320 -0.000 0.000 0.203 407 K C 1.671 178.071 176.600 -0.333 0.000 1.052 407 K CA 1.126 57.205 56.287 -0.347 0.000 0.948 407 K CB -0.281 31.799 32.500 -0.700 0.000 0.728 407 K HN 0.375 nan 8.250 nan 0.000 0.448 408 D N 0.404 120.789 120.400 -0.025 0.000 2.097 408 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 408 D C 1.875 178.251 176.300 0.127 0.000 0.989 408 D CA 1.258 55.342 54.000 0.141 0.000 0.827 408 D CB -0.307 40.613 40.800 0.200 0.000 0.966 408 D HN 0.349 nan 8.370 nan 0.000 0.456 409 H N -0.150 118.970 119.070 0.083 0.000 2.319 409 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 409 H C 1.975 177.316 175.328 0.022 0.000 1.092 409 H CA 1.441 57.549 56.048 0.099 0.000 1.302 409 H CB -0.176 29.692 29.762 0.177 0.000 1.373 409 H HN 0.001 nan 8.280 nan 0.000 0.497 410 L N 0.201 121.472 121.223 0.080 0.000 2.141 410 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 410 L C 2.790 179.705 176.870 0.075 0.000 1.094 410 L CA 1.329 56.171 54.840 0.004 0.000 0.763 410 L CB -0.851 41.136 42.059 -0.120 0.000 0.908 410 L HN 0.442 nan 8.230 nan 0.000 0.437 411 A N -1.162 121.678 122.820 0.033 0.000 1.978 411 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 411 A C 2.412 180.147 177.584 0.252 0.000 1.170 411 A CA 2.336 54.480 52.037 0.178 0.000 0.636 411 A CB -1.003 18.083 19.000 0.143 0.000 0.810 411 A HN 0.397 nan 8.150 nan 0.000 0.448 412 T N 0.339 114.933 114.554 0.068 0.000 2.962 412 T HA -0.007 4.343 4.350 -0.000 0.000 0.270 412 T C 1.670 176.288 174.700 -0.137 0.000 1.088 412 T CA 0.848 62.916 62.100 -0.053 0.000 1.127 412 T CB -0.269 68.523 68.868 -0.126 0.000 0.883 412 T HN 0.342 nan 8.240 nan 0.000 0.493 413 L N -0.197 120.981 121.223 -0.075 0.000 2.056 413 L HA 0.019 4.359 4.340 -0.000 0.000 0.207 413 L C 1.039 177.632 176.870 -0.463 0.000 1.078 413 L CA 1.259 55.993 54.840 -0.176 0.000 0.749 413 L CB -0.321 41.739 42.059 0.002 0.000 0.901 413 L HN 0.207 nan 8.230 nan 0.000 0.433 414 K N -1.104 118.703 120.400 -0.987 0.000 2.409 414 K HA 0.402 4.722 4.320 -0.000 0.000 0.252 414 K C -2.412 173.255 176.600 -1.555 0.000 1.036 414 K CA -2.201 53.160 56.287 -1.545 0.000 0.871 414 K CB 0.214 31.185 32.500 -2.547 0.000 1.374 414 K HN -0.321 nan 8.250 nan 0.000 0.459 415 P HA 0.192 nan 4.420 nan 0.000 0.219 415 P C 0.124 176.841 177.300 -0.972 0.000 1.832 415 P CA -0.357 62.208 63.100 -0.892 0.000 1.014 415 P CB -0.427 30.934 31.700 -0.566 0.000 1.939 416 W N 1.264 122.207 121.300 -0.593 0.000 2.290 416 W HA -0.323 4.337 4.660 -0.000 0.000 0.323 416 W C 1.702 178.155 176.519 -0.110 0.000 1.260 416 W CA 1.757 58.862 57.345 -0.400 0.000 1.266 416 W CB -1.068 28.239 29.460 -0.255 0.000 1.149 416 W HN 0.244 nan 8.180 nan 0.000 0.482 417 D N 0.244 120.721 120.400 0.128 0.000 2.077 417 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 417 D C 1.700 178.094 176.300 0.156 0.000 0.983 417 D CA 1.308 55.393 54.000 0.142 0.000 0.841 417 D CB -1.266 39.587 40.800 0.088 0.000 0.992 417 D HN -0.112 nan 8.370 nan 0.000 0.450 418 K N -0.460 119.998 120.400 0.097 0.000 2.248 418 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 418 K C 1.712 178.497 176.600 0.308 0.000 1.044 418 K CA 1.385 57.767 56.287 0.159 0.000 0.933 418 K CB -0.436 32.147 32.500 0.138 0.000 0.723 418 K HN 0.408 nan 8.250 nan 0.000 0.475 419 W N -0.664 120.659 121.300 0.039 0.000 2.762 419 W HA 0.100 4.760 4.660 -0.000 0.000 0.265 419 W C 2.132 178.732 176.519 0.135 0.000 1.263 419 W CA -0.531 56.856 57.345 0.070 0.000 1.411 419 W CB -0.834 28.664 29.460 0.063 0.000 1.065 419 W HN -0.222 nan 8.180 nan 0.000 0.609 420 V N 0.519 120.672 119.914 0.398 0.000 2.407 420 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 420 V C 1.800 178.012 176.094 0.197 0.000 1.041 420 V CA 1.673 64.154 62.300 0.302 0.000 1.040 420 V CB -0.259 31.729 31.823 0.274 0.000 0.671 420 V HN 0.056 nan 8.190 nan 0.000 0.455 421 Q N 0.025 119.918 119.800 0.154 0.000 2.615 421 Q HA -0.111 4.229 4.340 -0.000 0.000 0.220 421 Q C 1.253 177.292 176.000 0.066 0.000 0.981 421 Q CA 0.561 56.410 55.803 0.076 0.000 0.939 421 Q CB -0.289 28.489 28.738 0.066 0.000 0.982 421 Q HN 0.590 nan 8.270 nan 0.000 0.550 422 N N 0.280 119.041 118.700 0.101 0.000 2.268 422 N HA 0.021 4.760 4.740 -0.000 0.000 0.204 422 N C -0.652 174.904 175.510 0.077 0.000 1.124 422 N CA 0.221 53.316 53.050 0.074 0.000 0.838 422 N CB 0.736 39.265 38.487 0.070 0.000 0.994 422 N HN 0.092 nan 8.380 nan 0.000 0.489 423 T N 0.017 114.622 114.554 0.086 0.000 2.829 423 T HA 0.218 4.568 4.350 -0.000 0.000 0.282 423 T C 0.220 174.982 174.700 0.103 0.000 0.990 423 T CA -0.232 61.943 62.100 0.125 0.000 1.028 423 T CB 2.247 71.247 68.868 0.220 0.000 0.951 423 T HN -0.189 nan 8.240 nan 0.000 0.460 424 T N 3.125 117.752 114.554 0.122 0.000 2.747 424 T HA 0.167 4.517 4.350 -0.000 0.000 0.301 424 T C 0.109 174.898 174.700 0.149 0.000 0.952 424 T CA -0.310 61.842 62.100 0.086 0.000 0.983 424 T CB -0.347 68.561 68.868 0.067 0.000 0.930 424 T HN 0.530 nan 8.240 nan 0.000 0.494 425 H N 4.239 123.288 119.070 -0.036 0.000 3.109 425 H HA 0.165 4.721 4.556 -0.000 0.000 0.266 425 H C 0.903 176.177 175.328 -0.091 0.000 1.334 425 H CA -0.642 55.376 56.048 -0.050 0.000 1.456 425 H CB 0.215 29.964 29.762 -0.022 0.000 1.587 425 H HN 0.513 nan 8.280 nan 0.000 0.500 426 L N 0.473 121.663 121.223 -0.055 0.000 2.821 426 L HA 0.203 4.543 4.340 -0.000 0.000 0.239 426 L C 0.140 176.959 176.870 -0.085 0.000 1.391 426 L CA -0.025 54.725 54.840 -0.150 0.000 1.231 426 L CB -0.030 41.814 42.059 -0.358 0.000 1.598 426 L HN 0.429 nan 8.230 nan 0.000 0.428 427 D N 0.468 120.856 120.400 -0.020 0.000 2.527 427 D HA -0.070 4.570 4.640 -0.000 0.000 0.249 427 D C 1.661 177.962 176.300 0.002 0.000 1.029 427 D CA 0.862 54.857 54.000 -0.009 0.000 0.951 427 D CB 0.257 41.062 40.800 0.008 0.000 1.093 427 D HN 0.574 nan 8.370 nan 0.000 0.464 428 E N 1.037 121.248 120.200 0.019 0.000 2.038 428 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 428 E C 2.341 178.948 176.600 0.013 0.000 1.000 428 E CA 0.614 57.025 56.400 0.019 0.000 0.803 428 E CB -0.245 29.470 29.700 0.026 0.000 0.750 428 E HN 0.108 nan 8.360 nan 0.000 0.448 429 L N 0.727 121.954 121.223 0.006 0.000 2.137 429 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 429 L C 2.195 179.069 176.870 0.006 0.000 1.085 429 L CA 1.206 56.051 54.840 0.008 0.000 0.760 429 L CB -0.034 42.023 42.059 -0.003 0.000 0.893 429 L HN -0.041 nan 8.230 nan 0.000 0.434 430 V N -0.207 119.702 119.914 -0.007 0.000 2.649 430 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 430 V C 2.541 178.646 176.094 0.020 0.000 1.054 430 V CA 1.738 64.039 62.300 0.003 0.000 1.073 430 V CB -0.270 31.545 31.823 -0.013 0.000 0.699 430 V HN 0.538 nan 8.190 nan 0.000 0.463 431 K N -0.077 120.333 120.400 0.017 0.000 2.025 431 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 431 K C 2.111 178.724 176.600 0.022 0.000 1.049 431 K CA 1.931 58.230 56.287 0.020 0.000 0.933 431 K CB -0.393 32.116 32.500 0.016 0.000 0.714 431 K HN 0.410 nan 8.250 nan 0.000 0.438 432 T N 1.172 115.739 114.554 0.022 0.000 2.531 432 T HA -0.279 4.071 4.350 -0.000 0.000 0.261 432 T C 1.884 176.600 174.700 0.027 0.000 1.141 432 T CA 2.260 64.374 62.100 0.024 0.000 1.176 432 T CB -0.643 68.241 68.868 0.026 0.000 0.863 432 T HN 0.515 nan 8.240 nan 0.000 0.424 433 A N 0.418 123.257 122.820 0.032 0.000 2.076 433 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 433 A C 2.499 180.104 177.584 0.035 0.000 1.160 433 A CA 2.163 54.222 52.037 0.037 0.000 0.653 433 A CB -0.796 18.232 19.000 0.047 0.000 0.801 433 A HN 0.489 nan 8.150 nan 0.000 0.455 434 S N -0.478 115.241 115.700 0.032 0.000 2.362 434 S HA -0.010 4.460 4.470 -0.000 0.000 0.221 434 S C 1.862 176.472 174.600 0.016 0.000 1.032 434 S CA 1.015 59.231 58.200 0.027 0.000 0.973 434 S CB -0.419 62.798 63.200 0.028 0.000 0.849 434 S HN 0.519 nan 8.310 nan 0.000 0.465 435 L N 1.049 122.282 121.223 0.016 0.000 2.265 435 L HA -0.016 4.324 4.340 -0.000 0.000 0.215 435 L C 2.494 179.373 176.870 0.014 0.000 1.117 435 L CA 1.211 56.059 54.840 0.013 0.000 0.782 435 L CB -0.428 41.640 42.059 0.015 0.000 0.914 435 L HN 0.345 nan 8.230 nan 0.000 0.441 436 K N 0.357 120.768 120.400 0.019 0.000 2.487 436 K HA 0.082 4.402 4.320 -0.000 0.000 0.192 436 K C 0.188 176.799 176.600 0.018 0.000 1.027 436 K CA 0.509 56.808 56.287 0.020 0.000 1.054 436 K CB 0.266 32.780 32.500 0.024 0.000 0.824 436 K HN 0.321 nan 8.250 nan 0.000 0.510 437 G N 2.022 110.830 108.800 0.014 0.000 2.421 437 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.360 437 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.360 437 G C -1.210 173.694 174.900 0.006 0.000 1.219 437 G CA -0.885 44.220 45.100 0.007 0.000 1.257 437 G HN 0.089 nan 8.290 nan 0.000 0.609 438 E N 2.382 122.578 120.200 -0.007 0.000 2.606 438 E HA 0.099 4.449 4.350 -0.000 0.000 0.248 438 E C -1.653 174.942 176.600 -0.008 0.000 1.005 438 E CA -0.297 56.100 56.400 -0.006 0.000 0.946 438 E CB 1.228 30.912 29.700 -0.027 0.000 0.928 438 E HN 0.490 nan 8.360 nan 0.000 0.494 439 P HA 0.148 nan 4.420 nan 0.000 0.286 439 P C -0.565 176.740 177.300 0.009 0.000 1.261 439 P CA -0.508 62.597 63.100 0.009 0.000 0.821 439 P CB 1.576 33.285 31.700 0.015 0.000 1.013 440 S N 0.712 116.419 115.700 0.012 0.000 2.536 440 S HA 0.491 4.961 4.470 -0.000 0.000 0.298 440 S C -0.499 174.112 174.600 0.019 0.000 1.083 440 S CA -0.522 57.690 58.200 0.019 0.000 0.995 440 S CB 0.687 63.902 63.200 0.025 0.000 1.058 440 S HN 0.365 nan 8.310 nan 0.000 0.488 441 D N 2.436 122.848 120.400 0.021 0.000 2.602 441 D HA 0.251 4.891 4.640 -0.000 0.000 0.265 441 D C -0.669 175.642 176.300 0.019 0.000 1.454 441 D CA 0.097 54.106 54.000 0.015 0.000 0.795 441 D CB 0.354 41.156 40.800 0.004 0.000 1.140 441 D HN 0.438 nan 8.370 nan 0.000 0.486 442 M N 1.248 120.863 119.600 0.026 0.000 2.598 442 M HA 0.255 4.735 4.480 -0.000 0.000 0.317 442 M C -0.741 175.569 176.300 0.016 0.000 1.179 442 M CA -0.862 54.452 55.300 0.023 0.000 0.936 442 M CB 2.712 35.333 32.600 0.036 0.000 1.713 442 M HN -0.152 nan 8.290 nan 0.000 0.460 443 D N 2.041 122.445 120.400 0.006 0.000 2.193 443 D HA 0.154 4.794 4.640 -0.000 0.000 0.244 443 D C 0.423 176.719 176.300 -0.005 0.000 1.064 443 D CA -0.416 53.585 54.000 0.002 0.000 0.845 443 D CB 1.777 42.576 40.800 -0.003 0.000 1.148 443 D HN 0.704 nan 8.370 nan 0.000 0.464 444 K N 2.419 122.818 120.400 -0.002 0.000 2.227 444 K HA -0.327 3.993 4.320 -0.000 0.000 0.208 444 K C 1.664 178.248 176.600 -0.027 0.000 1.045 444 K CA 2.140 58.422 56.287 -0.008 0.000 0.931 444 K CB -0.313 32.185 32.500 -0.004 0.000 0.721 444 K HN 0.519 nan 8.250 nan 0.000 0.469 445 A N 0.428 123.229 122.820 -0.031 0.000 1.972 445 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 445 A C 2.049 179.588 177.584 -0.074 0.000 1.169 445 A CA 1.699 53.706 52.037 -0.051 0.000 0.635 445 A CB -0.432 18.540 19.000 -0.046 0.000 0.810 445 A HN 0.607 nan 8.150 nan 0.000 0.446 446 E N -0.798 119.368 120.200 -0.057 0.000 2.014 446 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 446 E C 1.928 178.484 176.600 -0.072 0.000 0.980 446 E CA 0.730 57.089 56.400 -0.069 0.000 0.807 446 E CB -0.212 29.471 29.700 -0.029 0.000 0.770 446 E HN 0.328 nan 8.360 nan 0.000 0.451 447 L N 2.151 123.354 121.223 -0.034 0.000 2.064 447 L HA -0.337 4.003 4.340 -0.000 0.000 0.234 447 L C 2.128 178.962 176.870 -0.061 0.000 1.103 447 L CA 2.036 56.860 54.840 -0.026 0.000 0.824 447 L CB -1.066 40.990 42.059 -0.005 0.000 0.919 447 L HN 0.201 nan 8.230 nan 0.000 0.447 448 R N -0.662 119.797 120.500 -0.067 0.000 2.127 448 R HA -0.203 4.136 4.340 -0.000 0.000 0.238 448 R C 2.187 178.396 176.300 -0.153 0.000 1.134 448 R CA 1.754 57.802 56.100 -0.087 0.000 0.975 448 R CB -0.506 29.753 30.300 -0.068 0.000 0.865 448 R HN 0.637 nan 8.270 nan 0.000 0.447 449 R N 0.905 121.278 120.500 -0.211 0.000 2.127 449 R HA 0.017 4.357 4.340 -0.000 0.000 0.217 449 R C 1.961 178.028 176.300 -0.389 0.000 1.074 449 R CA 0.546 56.435 56.100 -0.352 0.000 0.991 449 R CB -0.120 29.872 30.300 -0.513 0.000 0.895 449 R HN 0.053 nan 8.270 nan 0.000 0.450 450 R N 1.056 121.388 120.500 -0.280 0.000 2.126 450 R HA -0.122 4.218 4.340 -0.000 0.000 0.224 450 R C 2.379 178.483 176.300 -0.327 0.000 1.128 450 R CA 2.272 58.204 56.100 -0.281 0.000 0.895 450 R CB -0.646 29.574 30.300 -0.133 0.000 0.817 450 R HN 0.353 nan 8.270 nan 0.000 0.435 451 Q N 0.284 119.986 119.800 -0.163 0.000 2.208 451 Q HA -0.383 3.957 4.340 -0.000 0.000 0.219 451 Q C 2.149 178.080 176.000 -0.117 0.000 1.027 451 Q CA 2.416 58.178 55.803 -0.069 0.000 0.925 451 Q CB -0.386 28.336 28.738 -0.026 0.000 1.006 451 Q HN 0.326 nan 8.270 nan 0.000 0.415 452 Q N 0.150 119.843 119.800 -0.177 0.000 2.170 452 Q HA -0.111 4.229 4.340 -0.000 0.000 0.203 452 Q C 1.876 177.737 176.000 -0.231 0.000 0.976 452 Q CA 1.621 57.320 55.803 -0.172 0.000 0.858 452 Q CB -0.342 28.279 28.738 -0.195 0.000 0.907 452 Q HN 0.412 nan 8.270 nan 0.000 0.433 453 A N -0.203 122.407 122.820 -0.350 0.000 1.883 453 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 453 A C 0.949 178.299 177.584 -0.391 0.000 1.186 453 A CA 1.368 53.168 52.037 -0.395 0.000 0.624 453 A CB -0.678 17.978 19.000 -0.573 0.000 0.822 453 A HN 0.449 nan 8.150 nan 0.000 0.444 454 F N 0.462 120.313 119.950 -0.164 0.000 2.777 454 F HA 0.398 4.925 4.527 -0.000 0.000 0.291 454 F C 1.757 177.490 175.800 -0.112 0.000 1.187 454 F CA -0.859 57.039 58.000 -0.171 0.000 1.406 454 F CB -1.103 37.908 39.000 0.017 0.000 0.982 454 F HN 0.285 nan 8.300 nan 0.000 0.509 455 G N 0.855 109.578 108.800 -0.129 0.000 2.420 455 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.305 455 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.305 455 G C 0.701 175.692 174.900 0.151 0.000 0.971 455 G CA 0.124 45.249 45.100 0.042 0.000 0.843 455 G HN 0.409 nan 8.290 nan 0.000 0.512 456 L N -0.350 120.963 121.223 0.150 0.000 2.483 456 L HA 0.404 4.744 4.340 -0.000 0.000 0.277 456 L C 1.418 178.359 176.870 0.119 0.000 1.248 456 L CA 1.154 56.086 54.840 0.153 0.000 0.825 456 L CB 0.227 42.365 42.059 0.132 0.000 1.096 456 L HN 0.561 nan 8.230 nan 0.000 0.512 457 T N -2.539 112.098 114.554 0.138 0.000 2.647 457 T HA 0.299 4.649 4.350 -0.000 0.000 0.295 457 T C 0.455 175.230 174.700 0.125 0.000 1.126 457 T CA -0.848 61.327 62.100 0.124 0.000 1.040 457 T CB 1.281 70.237 68.868 0.146 0.000 1.472 457 T HN 0.515 nan 8.240 nan 0.000 0.500 458 M N 0.280 119.947 119.600 0.112 0.000 2.193 458 M HA 0.121 4.600 4.480 -0.000 0.000 0.265 458 M C 2.316 178.692 176.300 0.127 0.000 1.071 458 M CA 1.319 56.677 55.300 0.098 0.000 1.140 458 M CB -0.334 32.305 32.600 0.065 0.000 1.369 458 M HN 0.827 nan 8.290 nan 0.000 0.423 459 E N 0.374 120.674 120.200 0.168 0.000 2.114 459 E HA -0.267 4.083 4.350 -0.000 0.000 0.199 459 E C 1.365 178.102 176.600 0.228 0.000 1.008 459 E CA 1.610 58.143 56.400 0.222 0.000 0.810 459 E CB -0.063 29.854 29.700 0.363 0.000 0.739 459 E HN 0.476 nan 8.360 nan 0.000 0.456 460 D N -0.582 119.970 120.400 0.253 0.000 2.178 460 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 460 D C 1.740 178.155 176.300 0.191 0.000 0.980 460 D CA 1.056 55.208 54.000 0.253 0.000 0.842 460 D CB 0.038 40.987 40.800 0.248 0.000 0.948 460 D HN 0.247 nan 8.370 nan 0.000 0.472 461 M N -0.474 119.222 119.600 0.160 0.000 2.534 461 M HA 0.088 4.568 4.480 -0.000 0.000 0.263 461 M C 1.887 178.289 176.300 0.170 0.000 1.152 461 M CA 0.489 55.883 55.300 0.157 0.000 1.145 461 M CB -0.033 32.640 32.600 0.123 0.000 1.333 461 M HN -0.011 nan 8.290 nan 0.000 0.477 462 E N 0.904 121.179 120.200 0.125 0.000 2.038 462 E HA 0.023 4.373 4.350 -0.000 0.000 0.190 462 E C 2.128 178.794 176.600 0.110 0.000 0.967 462 E CA 0.431 56.883 56.400 0.087 0.000 0.816 462 E CB 0.338 30.067 29.700 0.049 0.000 0.784 462 E HN 0.309 nan 8.360 nan 0.000 0.456 463 L N 0.536 121.808 121.223 0.081 0.000 2.046 463 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 463 L C 2.161 179.033 176.870 0.003 0.000 1.077 463 L CA 1.192 56.044 54.840 0.020 0.000 0.747 463 L CB -0.027 41.995 42.059 -0.063 0.000 0.896 463 L HN 0.225 nan 8.230 nan 0.000 0.432 464 I N -2.585 118.007 120.570 0.037 0.000 3.570 464 I HA -0.116 4.054 4.170 -0.000 0.000 0.270 464 I C 1.797 177.993 176.117 0.131 0.000 1.162 464 I CA -0.030 61.296 61.300 0.043 0.000 1.413 464 I CB 0.144 38.166 38.000 0.036 0.000 1.437 464 I HN 0.026 nan 8.210 nan 0.000 0.457 465 L N 0.801 122.131 121.223 0.178 0.000 2.005 465 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 465 L C 2.457 179.449 176.870 0.204 0.000 1.072 465 L CA 2.238 57.198 54.840 0.201 0.000 0.744 465 L CB -1.174 41.000 42.059 0.192 0.000 0.895 465 L HN 0.271 nan 8.230 nan 0.000 0.433 466 H N 0.268 119.455 119.070 0.195 0.000 2.272 466 H HA -0.163 4.393 4.556 -0.000 0.000 0.289 466 H C -0.776 174.688 175.328 0.228 0.000 1.100 466 H CA 3.309 59.517 56.048 0.266 0.000 1.209 466 H CB -1.318 28.563 29.762 0.199 0.000 1.348 466 H HN 0.285 nan 8.280 nan 0.000 0.481 467 P HA -0.145 nan 4.420 nan 0.000 0.218 467 P C 1.623 178.945 177.300 0.037 0.000 1.149 467 P CA 1.579 64.742 63.100 0.104 0.000 0.817 467 P CB -0.109 31.656 31.700 0.108 0.000 0.785 468 M N -1.001 118.630 119.600 0.051 0.000 2.086 468 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 468 M C 1.863 178.159 176.300 -0.007 0.000 1.067 468 M CA 1.795 57.118 55.300 0.037 0.000 1.116 468 M CB -0.661 32.001 32.600 0.104 0.000 1.348 468 M HN -0.228 nan 8.290 nan 0.000 0.407 469 V N -0.390 119.477 119.914 -0.077 0.000 2.358 469 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 469 V C 2.085 178.001 176.094 -0.297 0.000 1.047 469 V CA 2.051 64.177 62.300 -0.290 0.000 1.035 469 V CB -0.894 30.486 31.823 -0.739 0.000 0.658 469 V HN 0.519 nan 8.190 nan 0.000 0.452 470 E N 0.362 120.438 120.200 -0.205 0.000 2.006 470 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 470 E C 1.806 178.402 176.600 -0.007 0.000 0.993 470 E CA 1.654 58.029 56.400 -0.042 0.000 0.808 470 E CB -0.055 29.692 29.700 0.079 0.000 0.764 470 E HN 0.560 nan 8.360 nan 0.000 0.449 471 D N -1.060 119.346 120.400 0.011 0.000 2.289 471 D HA 0.055 4.695 4.640 -0.000 0.000 0.207 471 D C 0.603 176.904 176.300 0.001 0.000 0.966 471 D CA 1.016 55.030 54.000 0.022 0.000 0.868 471 D CB 0.364 41.189 40.800 0.041 0.000 0.943 471 D HN 0.391 nan 8.370 nan 0.000 0.514 472 G N 1.261 110.050 108.800 -0.019 0.000 2.353 472 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.294 472 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.294 472 G C 0.075 174.958 174.900 -0.028 0.000 1.077 472 G CA 0.502 45.583 45.100 -0.031 0.000 1.098 472 G HN 0.317 nan 8.290 nan 0.000 0.511 473 K N -1.000 119.386 120.400 -0.024 0.000 2.755 473 K HA 0.388 4.707 4.320 -0.000 0.000 0.294 473 K C -0.861 175.734 176.600 -0.009 0.000 1.060 473 K CA -0.650 55.628 56.287 -0.015 0.000 0.845 473 K CB 1.298 33.802 32.500 0.007 0.000 1.539 473 K HN 0.432 nan 8.250 nan 0.000 0.379 474 E N 0.303 120.501 120.200 -0.003 0.000 2.187 474 E HA 0.589 4.939 4.350 -0.000 0.000 0.268 474 E C -0.793 175.808 176.600 0.002 0.000 0.896 474 E CA -0.999 55.402 56.400 0.001 0.000 0.766 474 E CB 1.771 31.470 29.700 -0.002 0.000 1.142 474 E HN 0.646 nan 8.360 nan 0.000 0.408 475 A N 5.432 128.251 122.820 -0.002 0.000 2.520 475 A HA -0.054 4.266 4.320 -0.000 0.000 0.279 475 A C 0.081 177.633 177.584 -0.055 0.000 1.031 475 A CA 0.494 52.514 52.037 -0.028 0.000 0.943 475 A CB -0.885 18.066 19.000 -0.081 0.000 0.899 475 A HN 0.666 nan 8.150 nan 0.000 0.508 476 I N 2.184 122.726 120.570 -0.048 0.000 2.499 476 I HA 0.565 4.735 4.170 -0.000 0.000 0.296 476 I C 1.135 177.097 176.117 -0.259 0.000 0.992 476 I CA 0.418 61.648 61.300 -0.115 0.000 1.297 476 I CB 1.843 39.802 38.000 -0.068 0.000 1.410 476 I HN 0.739 nan 8.210 nan 0.000 0.507 477 G N 2.901 111.471 108.800 -0.383 0.000 2.976 477 G HA2 0.752 4.712 3.960 -0.000 0.000 0.276 477 G HA3 0.752 4.712 3.960 -0.000 0.000 0.276 477 G C -1.334 173.268 174.900 -0.497 0.000 1.207 477 G CA -0.072 44.726 45.100 -0.504 0.000 0.803 477 G HN 0.688 nan 8.290 nan 0.000 0.572 478 S N -2.095 113.493 115.700 -0.187 0.000 2.636 478 S HA 0.646 5.116 4.470 -0.000 0.000 0.266 478 S C -0.672 173.940 174.600 0.020 0.000 1.147 478 S CA -0.351 57.814 58.200 -0.058 0.000 0.815 478 S CB 1.525 64.734 63.200 0.015 0.000 1.119 478 S HN 1.729 nan 8.310 nan 0.000 0.470 479 M N 0.002 119.621 119.600 0.032 0.000 7.319 479 M HA -0.023 4.457 4.480 -0.000 0.000 0.157 479 M C 0.762 177.087 176.300 0.040 0.000 0.480 479 M CA 1.315 56.641 55.300 0.044 0.000 1.311 479 M CB -1.799 30.836 32.600 0.058 0.000 0.421 479 M HN 1.565 nan 8.290 nan 0.000 0.190 480 G N 0.667 109.509 108.800 0.070 0.000 2.590 480 G HA2 0.315 4.275 3.960 -0.000 0.000 0.276 480 G HA3 0.315 4.275 3.960 -0.000 0.000 0.276 480 G C -0.410 174.501 174.900 0.019 0.000 1.337 480 G CA 0.417 45.552 45.100 0.058 0.000 1.030 480 G HN 0.866 nan 8.290 nan 0.000 0.534 481 D N -0.679 119.706 120.400 -0.025 0.000 2.414 481 D HA 0.209 4.849 4.640 -0.000 0.000 0.232 481 D C -0.311 175.936 176.300 -0.089 0.000 1.070 481 D CA -0.793 53.138 54.000 -0.117 0.000 0.839 481 D CB 1.257 41.953 40.800 -0.173 0.000 1.079 481 D HN 0.266 nan 8.370 nan 0.000 0.521 482 D N 1.553 121.905 120.400 -0.081 0.000 2.593 482 D HA 0.063 4.703 4.640 -0.000 0.000 0.241 482 D C -0.314 175.814 176.300 -0.287 0.000 1.257 482 D CA -0.383 53.559 54.000 -0.096 0.000 0.828 482 D CB -0.285 40.537 40.800 0.036 0.000 1.049 482 D HN 0.132 nan 8.370 nan 0.000 0.490 483 S N 0.185 115.628 115.700 -0.429 0.000 2.634 483 S HA 0.529 4.999 4.470 -0.000 0.000 0.261 483 S C -2.319 172.143 174.600 -0.231 0.000 1.271 483 S CA -1.032 56.885 58.200 -0.473 0.000 0.985 483 S CB 0.634 63.585 63.200 -0.415 0.000 0.968 483 S HN 0.035 nan 8.310 nan 0.000 0.568 484 P HA 0.313 nan 4.420 nan 0.000 0.277 484 P C -0.432 176.812 177.300 -0.093 0.000 1.276 484 P CA -0.743 62.287 63.100 -0.117 0.000 0.788 484 P CB 0.176 31.824 31.700 -0.088 0.000 1.114 485 I N -2.814 117.698 120.570 -0.097 0.000 2.428 485 I HA 0.469 4.639 4.170 -0.000 0.000 0.289 485 I C 1.248 177.280 176.117 -0.141 0.000 1.019 485 I CA -0.792 60.447 61.300 -0.100 0.000 1.351 485 I CB 1.088 39.030 38.000 -0.097 0.000 1.412 485 I HN 0.311 nan 8.210 nan 0.000 0.513 486 A N 5.680 128.366 122.820 -0.223 0.000 1.923 486 A HA -0.246 4.074 4.320 -0.000 0.000 0.222 486 A C 2.131 179.533 177.584 -0.305 0.000 1.258 486 A CA 3.367 55.158 52.037 -0.411 0.000 0.670 486 A CB -1.516 16.973 19.000 -0.852 0.000 0.834 486 A HN 1.005 nan 8.150 nan 0.000 0.470 487 V N -1.941 117.859 119.914 -0.190 0.000 2.380 487 V HA -0.215 3.905 4.120 -0.000 0.000 0.251 487 V C 2.174 178.277 176.094 0.015 0.000 1.063 487 V CA 1.996 64.340 62.300 0.073 0.000 1.055 487 V CB -1.071 30.838 31.823 0.142 0.000 0.657 487 V HN 0.499 nan 8.190 nan 0.000 0.455 488 L N 0.682 121.884 121.223 -0.035 0.000 2.599 488 L HA 0.167 4.507 4.340 -0.000 0.000 0.230 488 L C 1.410 178.262 176.870 -0.030 0.000 1.141 488 L CA 0.298 55.121 54.840 -0.029 0.000 0.877 488 L CB -0.121 41.907 42.059 -0.050 0.000 1.009 488 L HN 0.386 nan 8.230 nan 0.000 0.447 489 S N -0.315 115.360 115.700 -0.042 0.000 2.580 489 S HA -0.003 4.467 4.470 -0.000 0.000 0.274 489 S C 0.862 175.463 174.600 0.001 0.000 1.329 489 S CA -0.518 57.662 58.200 -0.032 0.000 1.036 489 S CB 1.296 64.455 63.200 -0.068 0.000 0.919 489 S HN 0.170 nan 8.310 nan 0.000 0.515 490 D N 2.052 122.461 120.400 0.015 0.000 2.183 490 D HA 0.099 4.739 4.640 -0.000 0.000 0.203 490 D C 0.326 176.660 176.300 0.056 0.000 0.969 490 D CA 1.212 55.235 54.000 0.037 0.000 0.842 490 D CB 0.260 41.086 40.800 0.043 0.000 0.957 490 D HN 0.415 nan 8.370 nan 0.000 0.484 491 K N -0.081 120.350 120.400 0.052 0.000 2.123 491 K HA 0.130 4.450 4.320 -0.000 0.000 0.248 491 K C -0.442 176.213 176.600 0.093 0.000 0.969 491 K CA -0.922 55.414 56.287 0.081 0.000 0.882 491 K CB 1.347 33.889 32.500 0.071 0.000 1.080 491 K HN -0.002 nan 8.250 nan 0.000 0.441 492 Y N 2.084 122.392 120.300 0.012 0.000 2.526 492 Y HA 0.037 4.587 4.550 -0.000 0.000 0.330 492 Y C -0.431 175.437 175.900 -0.053 0.000 1.156 492 Y CA 0.358 58.471 58.100 0.022 0.000 1.419 492 Y CB 0.637 39.137 38.460 0.066 0.000 1.250 492 Y HN 0.288 nan 8.280 nan 0.000 0.540 493 R N 4.404 124.469 120.500 -0.724 0.000 2.621 493 R HA 0.388 4.728 4.340 -0.000 0.000 0.284 493 R C -0.399 175.409 176.300 -0.820 0.000 0.998 493 R CA -0.597 55.005 56.100 -0.830 0.000 0.895 493 R CB 1.784 31.682 30.300 -0.671 0.000 1.195 493 R HN 1.018 nan 8.270 nan 0.000 0.450 494 G N 1.616 110.144 108.800 -0.454 0.000 2.503 494 G HA2 0.195 4.155 3.960 -0.000 0.000 0.257 494 G HA3 0.195 4.155 3.960 -0.000 0.000 0.257 494 G C 1.083 176.245 174.900 0.436 0.000 1.214 494 G CA -0.518 44.584 45.100 0.003 0.000 0.839 494 G HN 0.420 nan 8.290 nan 0.000 0.559 495 L N 1.282 122.681 121.223 0.294 0.000 2.040 495 L HA -0.306 4.034 4.340 -0.000 0.000 0.228 495 L C 2.937 180.145 176.870 0.563 0.000 1.092 495 L CA 2.938 57.982 54.840 0.340 0.000 0.805 495 L CB -1.287 40.861 42.059 0.148 0.000 0.905 495 L HN 0.916 nan 8.230 nan 0.000 0.443 496 H N -3.605 115.562 119.070 0.162 0.000 2.520 496 H HA -0.209 4.347 4.556 -0.000 0.000 0.295 496 H C 1.867 177.244 175.328 0.082 0.000 1.096 496 H CA 1.414 57.499 56.048 0.061 0.000 1.249 496 H CB -0.611 29.093 29.762 -0.097 0.000 1.365 496 H HN 0.597 nan 8.280 nan 0.000 0.556 497 H N -0.147 118.966 119.070 0.072 0.000 2.462 497 H HA -0.064 4.492 4.556 -0.000 0.000 0.292 497 H C 1.177 176.412 175.328 -0.155 0.000 1.049 497 H CA 1.155 57.062 56.048 -0.236 0.000 1.334 497 H CB 0.097 29.697 29.762 -0.271 0.000 1.404 497 H HN 0.444 nan 8.280 nan 0.000 0.544 498 F N -0.298 119.668 119.950 0.027 0.000 2.512 498 F HA 0.025 4.552 4.527 -0.000 0.000 0.296 498 F C 0.541 176.173 175.800 -0.280 0.000 1.110 498 F CA 0.143 58.051 58.000 -0.152 0.000 1.446 498 F CB -0.125 38.690 39.000 -0.309 0.000 1.092 498 F HN -0.100 nan 8.300 nan 0.000 0.554 499 F N 2.763 122.790 119.950 0.128 0.000 2.405 499 F HA 0.261 4.788 4.527 -0.000 0.000 0.358 499 F C 0.830 176.775 175.800 0.241 0.000 1.151 499 F CA -0.861 57.168 58.000 0.048 0.000 1.161 499 F CB 0.020 38.839 39.000 -0.300 0.000 1.245 499 F HN -0.259 nan 8.300 nan 0.000 0.545 500 R N 3.224 123.965 120.500 0.402 0.000 2.490 500 R HA 0.240 4.580 4.340 -0.000 0.000 0.278 500 R C -0.191 176.473 176.300 0.606 0.000 1.069 500 R CA -0.632 55.739 56.100 0.451 0.000 1.080 500 R CB 0.649 31.119 30.300 0.284 0.000 1.030 500 R HN 0.613 nan 8.270 nan 0.000 0.491 501 Q N 1.712 121.856 119.800 0.574 0.000 2.259 501 Q HA 0.255 4.595 4.340 -0.000 0.000 0.246 501 Q C -0.457 175.682 176.000 0.231 0.000 0.920 501 Q CA -0.761 55.252 55.803 0.350 0.000 0.895 501 Q CB 0.779 29.769 28.738 0.421 0.000 1.220 501 Q HN 0.321 nan 8.270 nan 0.000 0.439 502 N N 1.129 119.821 118.700 -0.014 0.000 2.493 502 N HA 0.533 5.273 4.740 -0.000 0.000 0.275 502 N C -1.038 174.561 175.510 0.149 0.000 1.186 502 N CA -0.224 52.817 53.050 -0.016 0.000 0.978 502 N CB 0.644 39.019 38.487 -0.187 0.000 1.184 502 N HN 0.476 nan 8.380 nan 0.000 0.487 503 F N -2.378 117.572 119.950 -0.000 0.000 2.662 503 F HA 0.678 5.205 4.527 -0.000 0.000 0.312 503 F C -0.287 175.518 175.800 0.009 0.000 1.113 503 F CA -1.389 56.618 58.000 0.012 0.000 0.951 503 F CB 0.543 39.561 39.000 0.030 0.000 1.344 503 F HN 0.295 nan 8.300 nan 0.000 0.462 504 S N 0.077 115.843 115.700 0.110 0.000 2.509 504 S HA 0.597 5.067 4.470 -0.000 0.000 0.297 504 S C -0.412 174.259 174.600 0.119 0.000 1.118 504 S CA -0.538 57.664 58.200 0.003 0.000 1.074 504 S CB 2.452 65.655 63.200 0.005 0.000 1.038 504 S HN 0.857 nan 8.310 nan 0.000 0.498 505 Q N 0.992 120.826 119.800 0.056 0.000 2.596 505 Q HA 0.302 4.642 4.340 -0.000 0.000 0.190 505 Q C 1.310 177.341 176.000 0.052 0.000 0.905 505 Q CA 0.140 56.006 55.803 0.106 0.000 0.846 505 Q CB -0.015 28.790 28.738 0.111 0.000 1.117 505 Q HN 0.599 nan 8.270 nan 0.000 0.630 506 V N -0.031 119.890 119.914 0.011 0.000 3.379 506 V HA -0.046 4.074 4.120 -0.000 0.000 0.249 506 V C 1.795 177.875 176.094 -0.024 0.000 1.184 506 V CA 1.152 63.445 62.300 -0.012 0.000 1.106 506 V CB 0.531 32.332 31.823 -0.038 0.000 0.826 506 V HN 0.433 nan 8.190 nan 0.000 0.465 507 T N 1.981 116.520 114.554 -0.026 0.000 2.684 507 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 507 T C 0.792 175.486 174.700 -0.010 0.000 1.036 507 T CA 1.674 63.756 62.100 -0.030 0.000 1.148 507 T CB -0.190 68.663 68.868 -0.026 0.000 0.863 507 T HN 0.669 nan 8.240 nan 0.000 0.436 508 N N 0.837 119.538 118.700 0.002 0.000 2.455 508 N HA 0.386 5.126 4.740 -0.000 0.000 0.278 508 N C -3.521 172.001 175.510 0.021 0.000 1.291 508 N CA -2.204 50.850 53.050 0.007 0.000 0.780 508 N CB 1.643 40.128 38.487 -0.005 0.000 1.520 508 N HN 0.007 nan 8.380 nan 0.000 0.486 509 P HA 0.507 nan 4.420 nan 0.000 0.293 509 P C -2.867 174.414 177.300 -0.031 0.000 1.291 509 P CA -1.425 61.677 63.100 0.003 0.000 0.867 509 P CB 1.415 33.080 31.700 -0.059 0.000 1.074 510 P HA 0.359 nan 4.420 nan 0.000 0.276 510 P C -0.104 177.191 177.300 -0.009 0.000 1.261 510 P CA -0.169 62.941 63.100 0.017 0.000 0.800 510 P CB 0.579 32.308 31.700 0.049 0.000 1.066 511 I N -0.526 120.049 120.570 0.009 0.000 2.982 511 I HA 0.300 4.470 4.170 -0.000 0.000 0.312 511 I C 0.325 176.477 176.117 0.058 0.000 1.041 511 I CA -0.683 60.629 61.300 0.019 0.000 1.053 511 I CB 1.239 39.248 38.000 0.014 0.000 1.248 511 I HN 0.174 nan 8.210 nan 0.000 0.471 512 D N 1.727 122.186 120.400 0.099 0.000 2.428 512 D HA 0.111 4.751 4.640 -0.000 0.000 0.221 512 D C 0.841 177.186 176.300 0.076 0.000 1.123 512 D CA -0.048 54.028 54.000 0.127 0.000 0.869 512 D CB 1.131 42.060 40.800 0.215 0.000 1.032 512 D HN 0.594 nan 8.370 nan 0.000 0.506 513 S N 2.863 118.594 115.700 0.052 0.000 2.507 513 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 513 S C 1.862 176.477 174.600 0.025 0.000 0.988 513 S CA 0.333 58.550 58.200 0.027 0.000 0.944 513 S CB 0.031 63.238 63.200 0.010 0.000 0.762 513 S HN 0.509 nan 8.310 nan 0.000 0.526 514 L N 0.593 121.840 121.223 0.040 0.000 2.187 514 L HA 0.221 4.561 4.340 -0.000 0.000 0.197 514 L C 2.797 179.670 176.870 0.006 0.000 1.090 514 L CA 0.447 55.301 54.840 0.025 0.000 0.781 514 L CB -0.519 41.562 42.059 0.036 0.000 0.956 514 L HN 0.113 nan 8.230 nan 0.000 0.463 515 R N 0.671 121.174 120.500 0.005 0.000 2.189 515 R HA -0.086 4.254 4.340 -0.000 0.000 0.223 515 R C 0.700 176.974 176.300 -0.043 0.000 1.092 515 R CA 0.947 57.006 56.100 -0.068 0.000 0.989 515 R CB -0.132 30.048 30.300 -0.200 0.000 0.876 515 R HN 0.419 nan 8.270 nan 0.000 0.457 516 E N 0.015 120.218 120.200 0.005 0.000 2.736 516 E HA 0.122 4.472 4.350 -0.000 0.000 0.208 516 E C 0.812 177.418 176.600 0.012 0.000 0.996 516 E CA -0.248 56.161 56.400 0.014 0.000 1.104 516 E CB 0.607 30.333 29.700 0.044 0.000 1.111 516 E HN 0.132 nan 8.360 nan 0.000 0.455 517 R N 0.865 121.366 120.500 0.003 0.000 2.081 517 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 517 R C 1.793 178.091 176.300 -0.002 0.000 1.131 517 R CA 1.311 57.411 56.100 -0.001 0.000 0.960 517 R CB 0.127 30.423 30.300 -0.006 0.000 0.856 517 R HN 0.108 nan 8.270 nan 0.000 0.436 518 R N -0.064 120.435 120.500 -0.002 0.000 2.226 518 R HA -0.145 4.195 4.340 -0.000 0.000 0.246 518 R C 2.081 178.383 176.300 0.005 0.000 1.161 518 R CA 1.720 57.820 56.100 -0.000 0.000 0.997 518 R CB -0.268 30.032 30.300 -0.000 0.000 0.870 518 R HN 0.272 nan 8.270 nan 0.000 0.465 519 V N -1.847 118.073 119.914 0.010 0.000 2.788 519 V HA 0.008 4.128 4.120 -0.000 0.000 0.251 519 V C 1.490 177.587 176.094 0.006 0.000 1.068 519 V CA 0.648 62.956 62.300 0.012 0.000 1.090 519 V CB -0.435 31.399 31.823 0.018 0.000 0.710 519 V HN 0.063 nan 8.190 nan 0.000 0.467 520 M N 1.198 120.799 119.600 0.001 0.000 1.878 520 M HA 0.464 4.944 4.480 -0.000 0.000 0.236 520 M C 0.366 176.659 176.300 -0.011 0.000 1.315 520 M CA 0.932 56.228 55.300 -0.005 0.000 0.986 520 M CB 0.557 33.150 32.600 -0.011 0.000 1.324 520 M HN 0.458 nan 8.290 nan 0.000 0.474 521 S N -0.923 114.767 115.700 -0.017 0.000 2.683 521 S HA 0.404 4.874 4.470 -0.000 0.000 0.278 521 S C -1.124 173.461 174.600 -0.025 0.000 1.059 521 S CA -0.842 57.346 58.200 -0.021 0.000 0.847 521 S CB 0.833 64.022 63.200 -0.018 0.000 1.078 521 S HN 0.711 nan 8.310 nan 0.000 0.456 522 L N 1.692 122.899 121.223 -0.027 0.000 3.410 522 L HA 0.300 4.640 4.340 -0.000 0.000 0.309 522 L C 0.028 176.884 176.870 -0.024 0.000 1.254 522 L CA -0.311 54.515 54.840 -0.023 0.000 1.048 522 L CB 0.336 42.379 42.059 -0.026 0.000 1.442 522 L HN 0.625 nan 8.230 nan 0.000 0.615 523 K N 1.841 122.219 120.400 -0.036 0.000 2.511 523 K HA 0.096 4.416 4.320 -0.000 0.000 0.280 523 K C 0.027 176.600 176.600 -0.046 0.000 1.008 523 K CA 0.608 56.863 56.287 -0.053 0.000 1.050 523 K CB 0.666 33.125 32.500 -0.068 0.000 0.889 523 K HN -0.094 nan 8.250 nan 0.000 0.484 524 T N 3.321 117.844 114.554 -0.051 0.000 2.861 524 T HA 0.382 4.732 4.350 -0.000 0.000 0.287 524 T C -0.480 174.187 174.700 -0.054 0.000 1.003 524 T CA -0.758 61.317 62.100 -0.041 0.000 0.977 524 T CB 1.242 70.100 68.868 -0.017 0.000 0.996 524 T HN 0.410 nan 8.240 nan 0.000 0.448 525 R N 1.882 122.350 120.500 -0.053 0.000 2.670 525 R HA 0.670 5.010 4.340 -0.000 0.000 0.289 525 R C -1.475 174.815 176.300 -0.017 0.000 0.965 525 R CA -0.857 55.218 56.100 -0.042 0.000 0.899 525 R CB 1.295 31.564 30.300 -0.051 0.000 1.173 525 R HN 0.305 nan 8.270 nan 0.000 0.456 526 L N 1.356 122.591 121.223 0.020 0.000 2.313 526 L HA 0.520 4.860 4.340 -0.000 0.000 0.283 526 L C 0.813 177.751 176.870 0.112 0.000 1.013 526 L CA -0.280 54.611 54.840 0.086 0.000 0.816 526 L CB 1.775 43.913 42.059 0.130 0.000 1.236 526 L HN 0.846 nan 8.230 nan 0.000 0.419 527 G N 2.158 111.006 108.800 0.079 0.000 2.324 527 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.292 527 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.292 527 G C 0.286 175.205 174.900 0.032 0.000 1.079 527 G CA 0.393 45.524 45.100 0.052 0.000 1.026 527 G HN 0.887 nan 8.290 nan 0.000 0.506 528 N N -0.375 118.324 118.700 -0.002 0.000 2.282 528 N HA 0.110 4.850 4.740 -0.000 0.000 0.240 528 N C 0.531 176.031 175.510 -0.017 0.000 1.182 528 N CA -0.432 52.613 53.050 -0.008 0.000 0.874 528 N CB 0.233 38.707 38.487 -0.022 0.000 1.126 528 N HN 0.406 nan 8.380 nan 0.000 0.516 529 L N 1.232 122.438 121.223 -0.029 0.000 2.466 529 L HA 0.432 4.772 4.340 -0.000 0.000 0.248 529 L C 0.893 177.759 176.870 -0.008 0.000 1.240 529 L CA -0.372 54.445 54.840 -0.037 0.000 1.180 529 L CB 0.291 42.276 42.059 -0.123 0.000 1.413 529 L HN 0.237 nan 8.230 nan 0.000 0.406 530 G N 0.904 109.730 108.800 0.044 0.000 3.110 530 G HA2 0.049 4.009 3.960 -0.000 0.000 0.207 530 G HA3 0.049 4.009 3.960 -0.000 0.000 0.207 530 G C -0.022 174.921 174.900 0.073 0.000 1.841 530 G CA -0.261 44.869 45.100 0.049 0.000 0.751 530 G HN 0.330 nan 8.290 nan 0.000 0.771 531 N N 1.895 120.636 118.700 0.069 0.000 2.558 531 N HA 0.149 4.889 4.740 -0.000 0.000 0.233 531 N C 1.872 177.416 175.510 0.057 0.000 1.038 531 N CA -0.264 52.833 53.050 0.078 0.000 0.934 531 N CB 1.044 39.587 38.487 0.093 0.000 1.175 531 N HN 0.472 nan 8.380 nan 0.000 0.512 532 I N 0.450 121.027 120.570 0.013 0.000 2.399 532 I HA -0.237 3.933 4.170 -0.000 0.000 0.254 532 I C 1.194 177.318 176.117 0.012 0.000 1.146 532 I CA 1.291 62.553 61.300 -0.063 0.000 1.412 532 I CB 0.001 37.886 38.000 -0.190 0.000 1.076 532 I HN 0.368 nan 8.210 nan 0.000 0.432 533 L N 0.313 121.585 121.223 0.082 0.000 2.418 533 L HA 0.101 4.441 4.340 -0.000 0.000 0.218 533 L C 1.006 178.003 176.870 0.212 0.000 1.125 533 L CA 0.387 55.316 54.840 0.148 0.000 0.835 533 L CB -0.501 41.694 42.059 0.226 0.000 0.953 533 L HN 0.309 nan 8.230 nan 0.000 0.454 534 D N 0.651 121.156 120.400 0.175 0.000 2.354 534 D HA 0.068 4.708 4.640 -0.000 0.000 0.247 534 D C 0.037 176.469 176.300 0.220 0.000 1.138 534 D CA 0.194 54.300 54.000 0.176 0.000 0.958 534 D CB 1.407 42.281 40.800 0.123 0.000 1.144 534 D HN 0.035 nan 8.370 nan 0.000 0.458 535 E N 1.307 121.648 120.200 0.235 0.000 3.990 535 E HA 0.127 4.477 4.350 -0.000 0.000 0.246 535 E C -1.617 175.164 176.600 0.303 0.000 1.179 535 E CA -0.594 56.021 56.400 0.358 0.000 1.287 535 E CB -0.014 29.882 29.700 0.327 0.000 1.241 535 E HN 0.370 nan 8.360 nan 0.000 0.406 536 D N -0.671 119.802 120.400 0.122 0.000 2.414 536 D HA 0.083 4.723 4.640 -0.000 0.000 0.241 536 D C 0.909 176.776 176.300 -0.723 0.000 1.008 536 D CA -0.665 53.171 54.000 -0.273 0.000 1.001 536 D CB 0.966 41.646 40.800 -0.199 0.000 1.277 536 D HN 0.228 nan 8.370 nan 0.000 0.538 537 E N -1.111 118.130 120.200 -1.599 0.000 2.478 537 E HA -0.125 4.225 4.350 -0.000 0.000 0.198 537 E C 0.978 177.268 176.600 -0.516 0.000 1.046 537 E CA 0.695 56.199 56.400 -1.494 0.000 0.870 537 E CB -0.264 28.379 29.700 -1.762 0.000 0.818 537 E HN 0.351 nan 8.360 nan 0.000 0.527 538 T N 0.103 114.454 114.554 -0.339 0.000 3.160 538 T HA -0.001 4.349 4.350 -0.000 0.000 0.257 538 T C 1.235 175.905 174.700 -0.050 0.000 1.147 538 T CA 0.540 62.549 62.100 -0.152 0.000 1.064 538 T CB -0.113 68.690 68.868 -0.108 0.000 0.949 538 T HN 0.309 nan 8.240 nan 0.000 0.526 539 Q N -0.381 119.415 119.800 -0.006 0.000 2.444 539 Q HA 0.054 4.394 4.340 -0.000 0.000 0.206 539 Q C 1.686 177.746 176.000 0.100 0.000 0.948 539 Q CA 0.744 56.594 55.803 0.079 0.000 0.946 539 Q CB 0.365 29.198 28.738 0.159 0.000 1.027 539 Q HN 0.398 nan 8.270 nan 0.000 0.513 540 T N -0.204 114.417 114.554 0.112 0.000 3.015 540 T HA 0.105 4.455 4.350 -0.000 0.000 0.250 540 T C 0.528 175.285 174.700 0.094 0.000 1.057 540 T CA -0.122 62.062 62.100 0.140 0.000 1.066 540 T CB 0.213 69.200 68.868 0.198 0.000 0.959 540 T HN 0.098 nan 8.240 nan 0.000 0.488 541 R N 2.485 123.020 120.500 0.059 0.000 2.606 541 R HA 0.371 4.710 4.340 -0.000 0.000 0.276 541 R C -0.844 175.498 176.300 0.070 0.000 1.416 541 R CA 0.020 56.155 56.100 0.059 0.000 1.064 541 R CB -0.718 29.603 30.300 0.036 0.000 1.117 541 R HN 0.324 nan 8.270 nan 0.000 0.543 542 L N -1.174 120.098 121.223 0.082 0.000 2.720 542 L HA 0.590 4.930 4.340 -0.000 0.000 0.261 542 L C -1.047 175.871 176.870 0.081 0.000 1.046 542 L CA -1.276 53.612 54.840 0.080 0.000 0.886 542 L CB 1.025 43.117 42.059 0.055 0.000 1.493 542 L HN 0.059 nan 8.230 nan 0.000 0.407 543 L N 0.580 121.841 121.223 0.064 0.000 2.334 543 L HA 0.717 5.057 4.340 -0.000 0.000 0.275 543 L C -0.390 176.470 176.870 -0.015 0.000 1.036 543 L CA -0.478 54.368 54.840 0.011 0.000 0.807 543 L CB 1.573 43.602 42.059 -0.049 0.000 1.231 543 L HN 0.687 nan 8.230 nan 0.000 0.438 544 Q N 2.070 121.844 119.800 -0.042 0.000 2.323 544 Q HA 0.605 4.945 4.340 -0.000 0.000 0.271 544 Q C -1.440 174.487 176.000 -0.122 0.000 1.048 544 Q CA -0.537 55.210 55.803 -0.095 0.000 0.792 544 Q CB 2.693 31.328 28.738 -0.171 0.000 1.280 544 Q HN 0.558 nan 8.270 nan 0.000 0.441 545 L N 1.279 122.439 121.223 -0.105 0.000 2.347 545 L HA 0.446 4.786 4.340 -0.000 0.000 0.268 545 L C 0.798 177.612 176.870 -0.094 0.000 1.019 545 L CA -0.620 54.167 54.840 -0.087 0.000 0.806 545 L CB 1.017 43.043 42.059 -0.056 0.000 1.339 545 L HN 0.664 nan 8.230 nan 0.000 0.463 546 E N -0.501 119.659 120.200 -0.067 0.000 2.539 546 E HA 0.134 4.484 4.350 -0.000 0.000 0.215 546 E C -0.349 176.230 176.600 -0.035 0.000 0.965 546 E CA 0.163 56.526 56.400 -0.062 0.000 1.019 546 E CB 1.489 31.155 29.700 -0.056 0.000 1.059 546 E HN 0.442 nan 8.360 nan 0.000 0.496 547 S N 0.806 116.495 115.700 -0.018 0.000 2.541 547 S HA 0.339 4.809 4.470 -0.000 0.000 0.271 547 S C -2.401 172.218 174.600 0.031 0.000 1.133 547 S CA -1.384 56.818 58.200 0.003 0.000 0.876 547 S CB 1.909 65.111 63.200 0.003 0.000 1.105 547 S HN -0.261 nan 8.310 nan 0.000 0.470 548 P HA 0.061 nan 4.420 nan 0.000 0.234 548 P C 0.039 177.419 177.300 0.133 0.000 1.167 548 P CA 0.385 63.535 63.100 0.084 0.000 0.763 548 P CB -0.076 31.689 31.700 0.108 0.000 0.835 549 V N 1.710 121.711 119.914 0.145 0.000 2.407 549 V HA 0.236 4.356 4.120 -0.000 0.000 0.278 549 V C 0.351 176.557 176.094 0.186 0.000 1.037 549 V CA -0.341 62.093 62.300 0.224 0.000 0.900 549 V CB 1.163 33.087 31.823 0.168 0.000 0.983 549 V HN -0.089 nan 8.190 nan 0.000 0.459 550 L N 4.586 125.954 121.223 0.242 0.000 2.410 550 L HA 0.554 4.893 4.340 -0.000 0.000 0.270 550 L C 0.340 177.358 176.870 0.247 0.000 0.983 550 L CA -0.602 54.369 54.840 0.218 0.000 0.822 550 L CB 2.456 44.655 42.059 0.233 0.000 1.285 550 L HN 0.701 nan 8.230 nan 0.000 0.409 551 T N -2.485 112.186 114.554 0.194 0.000 2.907 551 T HA 0.101 4.451 4.350 -0.000 0.000 0.298 551 T C 1.217 176.017 174.700 0.167 0.000 1.017 551 T CA -0.431 61.770 62.100 0.168 0.000 1.118 551 T CB 1.298 70.235 68.868 0.115 0.000 0.948 551 T HN 0.621 nan 8.240 nan 0.000 0.531 552 T N 2.431 117.060 114.554 0.125 0.000 2.718 552 T HA -0.240 4.110 4.350 -0.000 0.000 0.266 552 T C 2.218 176.995 174.700 0.128 0.000 1.033 552 T CA 1.923 64.076 62.100 0.090 0.000 1.151 552 T CB -0.820 68.069 68.868 0.034 0.000 0.853 552 T HN 0.848 nan 8.240 nan 0.000 0.466 553 A N 2.223 125.105 122.820 0.103 0.000 1.829 553 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 553 A C 2.228 179.892 177.584 0.132 0.000 1.207 553 A CA 2.106 54.201 52.037 0.096 0.000 0.622 553 A CB -0.877 18.161 19.000 0.063 0.000 0.846 553 A HN 0.762 nan 8.150 nan 0.000 0.447 554 E N -1.097 119.175 120.200 0.120 0.000 2.114 554 E HA -0.290 4.060 4.350 -0.000 0.000 0.199 554 E C 1.872 178.559 176.600 0.146 0.000 1.008 554 E CA 1.743 58.206 56.400 0.105 0.000 0.810 554 E CB -0.721 29.027 29.700 0.081 0.000 0.739 554 E HN 0.604 nan 8.360 nan 0.000 0.456 555 F N 2.489 122.462 119.950 0.039 0.000 2.091 555 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 555 F C 2.377 178.192 175.800 0.026 0.000 1.103 555 F CA 1.795 59.817 58.000 0.036 0.000 1.228 555 F CB -0.276 38.756 39.000 0.053 0.000 0.984 555 F HN -0.191 nan 8.300 nan 0.000 0.477 556 R N 0.315 121.182 120.500 0.612 0.000 2.091 556 R HA -0.137 4.202 4.340 -0.000 0.000 0.238 556 R C 2.540 178.921 176.300 0.135 0.000 1.136 556 R CA 1.305 57.646 56.100 0.401 0.000 0.959 556 R CB -1.018 29.431 30.300 0.249 0.000 0.856 556 R HN 0.442 nan 8.270 nan 0.000 0.437 557 A N 1.212 124.093 122.820 0.102 0.000 1.903 557 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 557 A C 2.147 179.744 177.584 0.021 0.000 1.191 557 A CA 1.926 53.996 52.037 0.056 0.000 0.638 557 A CB -0.537 18.487 19.000 0.041 0.000 0.823 557 A HN 0.358 nan 8.150 nan 0.000 0.451 558 M N -1.391 118.167 119.600 -0.070 0.000 2.081 558 M HA -0.124 4.355 4.480 -0.000 0.000 0.261 558 M C 2.302 178.514 176.300 -0.146 0.000 1.075 558 M CA 2.160 57.372 55.300 -0.147 0.000 1.133 558 M CB -0.157 32.273 32.600 -0.282 0.000 1.330 558 M HN 0.401 nan 8.290 nan 0.000 0.414 559 R N 0.795 121.106 120.500 -0.316 0.000 2.276 559 R HA -0.191 4.149 4.340 -0.000 0.000 0.243 559 R C 0.865 177.142 176.300 -0.038 0.000 1.161 559 R CA 2.170 58.124 56.100 -0.243 0.000 1.007 559 R CB -0.608 29.551 30.300 -0.236 0.000 0.867 559 R HN 0.467 nan 8.270 nan 0.000 0.472 560 D N -0.993 119.416 120.400 0.014 0.000 2.306 560 D HA -0.092 4.548 4.640 -0.000 0.000 0.239 560 D C 1.280 177.622 176.300 0.071 0.000 1.105 560 D CA 1.314 55.344 54.000 0.051 0.000 0.950 560 D CB -1.047 39.792 40.800 0.065 0.000 1.036 560 D HN 0.122 nan 8.370 nan 0.000 0.428 561 Y N 1.492 121.771 120.300 -0.035 0.000 2.318 561 Y HA -0.407 4.143 4.550 -0.000 0.000 0.271 561 Y C 1.930 177.814 175.900 -0.027 0.000 1.308 561 Y CA 2.033 60.115 58.100 -0.030 0.000 1.120 561 Y CB -0.305 38.129 38.460 -0.043 0.000 0.912 561 Y HN 0.002 nan 8.280 nan 0.000 0.534 562 M N -1.772 117.921 119.600 0.156 0.000 2.294 562 M HA 0.152 4.632 4.480 -0.000 0.000 0.257 562 M C 2.138 178.456 176.300 0.031 0.000 1.151 562 M CA 1.465 56.821 55.300 0.094 0.000 1.088 562 M CB -1.102 31.503 32.600 0.008 0.000 1.168 562 M HN 0.413 nan 8.290 nan 0.000 0.463 563 G N 1.014 109.838 108.800 0.040 0.000 3.035 563 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.242 563 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.242 563 G C 0.257 175.181 174.900 0.039 0.000 1.524 563 G CA 0.208 45.322 45.100 0.025 0.000 1.038 563 G HN 0.598 nan 8.290 nan 0.000 0.561 564 D N 0.727 121.141 120.400 0.024 0.000 2.218 564 D HA -0.071 4.569 4.640 -0.000 0.000 0.204 564 D C 2.196 178.521 176.300 0.041 0.000 0.976 564 D CA 1.944 55.958 54.000 0.024 0.000 0.853 564 D CB -0.638 40.166 40.800 0.006 0.000 0.939 564 D HN 0.481 nan 8.370 nan 0.000 0.481 565 T N 0.803 115.397 114.554 0.068 0.000 2.915 565 T HA 0.085 4.435 4.350 -0.000 0.000 0.269 565 T C 1.243 176.035 174.700 0.153 0.000 1.071 565 T CA 0.896 63.060 62.100 0.107 0.000 1.132 565 T CB -0.023 68.964 68.868 0.199 0.000 0.878 565 T HN 0.329 nan 8.240 nan 0.000 0.479 566 A N 0.862 123.780 122.820 0.163 0.000 2.246 566 A HA 0.819 5.139 4.320 -0.000 0.000 0.291 566 A C -0.024 177.623 177.584 0.105 0.000 1.103 566 A CA -0.333 51.803 52.037 0.165 0.000 0.844 566 A CB 0.486 19.558 19.000 0.120 0.000 1.136 566 A HN 0.533 nan 8.150 nan 0.000 0.500 567 A N 0.258 123.140 122.820 0.103 0.000 2.488 567 A HA 0.615 4.935 4.320 -0.000 0.000 0.295 567 A C -1.018 176.615 177.584 0.081 0.000 1.045 567 A CA -0.509 51.574 52.037 0.076 0.000 0.703 567 A CB 0.981 20.020 19.000 0.064 0.000 1.271 567 A HN 0.744 nan 8.150 nan 0.000 0.400 568 E N 2.101 122.343 120.200 0.070 0.000 2.158 568 E HA 0.506 4.856 4.350 -0.000 0.000 0.271 568 E C -0.903 175.732 176.600 0.059 0.000 0.911 568 E CA -0.760 55.685 56.400 0.075 0.000 0.767 568 E CB 1.800 31.543 29.700 0.072 0.000 1.120 568 E HN 0.494 nan 8.360 nan 0.000 0.405 569 I N 1.710 122.316 120.570 0.061 0.000 2.525 569 I HA 0.147 4.317 4.170 -0.000 0.000 0.301 569 I C 0.122 176.268 176.117 0.048 0.000 0.992 569 I CA -1.274 60.054 61.300 0.046 0.000 1.162 569 I CB 1.192 39.216 38.000 0.040 0.000 1.332 569 I HN 0.466 nan 8.210 nan 0.000 0.458 570 D N 4.672 125.096 120.400 0.041 0.000 2.422 570 D HA 0.292 4.932 4.640 -0.000 0.000 0.227 570 D C 0.357 176.691 176.300 0.057 0.000 1.190 570 D CA -0.361 53.667 54.000 0.047 0.000 0.905 570 D CB 0.817 41.640 40.800 0.039 0.000 1.034 570 D HN 0.593 nan 8.370 nan 0.000 0.507 571 A N 3.714 126.576 122.820 0.070 0.000 2.810 571 A HA 0.261 4.581 4.320 -0.000 0.000 0.247 571 A C 0.552 178.209 177.584 0.123 0.000 1.576 571 A CA -0.105 51.980 52.037 0.080 0.000 1.294 571 A CB -0.386 18.662 19.000 0.079 0.000 0.976 571 A HN 0.458 nan 8.150 nan 0.000 0.631 572 T N -0.182 114.448 114.554 0.126 0.000 2.916 572 T HA 0.704 5.054 4.350 -0.000 0.000 0.292 572 T C -0.865 173.996 174.700 0.267 0.000 1.064 572 T CA -0.276 61.930 62.100 0.177 0.000 1.011 572 T CB 1.121 70.039 68.868 0.083 0.000 1.152 572 T HN 0.549 nan 8.240 nan 0.000 0.510 573 F N 0.500 120.426 119.950 -0.040 0.000 2.613 573 F HA 0.825 5.352 4.527 -0.000 0.000 0.314 573 F C -2.957 172.790 175.800 -0.087 0.000 1.075 573 F CA -3.039 54.928 58.000 -0.055 0.000 0.945 573 F CB 0.375 39.344 39.000 -0.051 0.000 1.310 573 F HN 0.221 nan 8.300 nan 0.000 0.467 574 P HA 0.111 nan 4.420 nan 0.000 0.272 574 P C 0.122 177.327 177.300 -0.158 0.000 1.230 574 P CA -0.217 62.824 63.100 -0.098 0.000 0.788 574 P CB 2.207 33.914 31.700 0.012 0.000 0.949 575 V N 1.120 120.915 119.914 -0.198 0.000 2.922 575 V HA -0.074 4.045 4.120 -0.000 0.000 0.242 575 V C 2.230 178.296 176.094 -0.047 0.000 1.094 575 V CA 1.583 63.772 62.300 -0.186 0.000 1.106 575 V CB -0.974 30.721 31.823 -0.214 0.000 0.799 575 V HN 0.584 nan 8.190 nan 0.000 0.474 576 D N 1.515 121.891 120.400 -0.041 0.000 2.218 576 D HA -0.162 4.478 4.640 -0.000 0.000 0.204 576 D C 2.104 178.413 176.300 0.015 0.000 0.976 576 D CA 1.420 55.414 54.000 -0.010 0.000 0.853 576 D CB -0.433 40.359 40.800 -0.014 0.000 0.939 576 D HN 0.422 nan 8.370 nan 0.000 0.481 577 G N 1.466 110.286 108.800 0.033 0.000 2.717 577 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.224 577 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.224 577 G C 1.026 175.960 174.900 0.056 0.000 1.088 577 G CA 1.619 46.758 45.100 0.064 0.000 0.734 577 G HN 0.873 nan 8.290 nan 0.000 0.616 578 G N -1.717 107.115 108.800 0.053 0.000 2.655 578 G HA2 0.032 3.992 3.960 -0.000 0.000 0.680 578 G HA3 0.032 3.992 3.960 -0.000 0.000 0.680 578 G C -1.418 173.508 174.900 0.043 0.000 1.302 578 G CA -0.096 45.028 45.100 0.039 0.000 0.872 578 G HN 0.122 nan 8.290 nan 0.000 0.540 579 P HA 0.061 nan 4.420 nan 0.000 0.222 579 P C 1.109 178.412 177.300 0.005 0.000 1.147 579 P CA 1.390 64.502 63.100 0.021 0.000 0.790 579 P CB 0.189 31.898 31.700 0.015 0.000 0.780 580 E N -1.242 118.957 120.200 -0.002 0.000 2.476 580 E HA 0.235 4.585 4.350 -0.000 0.000 0.196 580 E C 1.754 178.323 176.600 -0.051 0.000 1.029 580 E CA -0.033 56.351 56.400 -0.027 0.000 0.896 580 E CB -0.500 29.188 29.700 -0.020 0.000 1.012 580 E HN 0.082 nan 8.360 nan 0.000 0.475 581 A N 1.481 124.290 122.820 -0.020 0.000 1.909 581 A HA -0.260 4.060 4.320 -0.000 0.000 0.221 581 A C 2.131 179.574 177.584 -0.235 0.000 1.223 581 A CA 1.873 53.903 52.037 -0.012 0.000 0.658 581 A CB -0.623 18.488 19.000 0.185 0.000 0.831 581 A HN 0.314 nan 8.150 nan 0.000 0.462 582 L N -0.654 120.298 121.223 -0.452 0.000 2.005 582 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 582 L C 2.422 179.085 176.870 -0.345 0.000 1.072 582 L CA 2.406 56.834 54.840 -0.687 0.000 0.744 582 L CB -0.868 40.821 42.059 -0.617 0.000 0.895 582 L HN 0.479 nan 8.230 nan 0.000 0.433 583 R N -0.193 120.182 120.500 -0.207 0.000 2.143 583 R HA -0.259 4.081 4.340 -0.000 0.000 0.239 583 R C 1.781 178.024 176.300 -0.094 0.000 1.126 583 R CA 2.565 58.597 56.100 -0.114 0.000 0.927 583 R CB -0.645 29.615 30.300 -0.067 0.000 0.860 583 R HN 0.537 nan 8.270 nan 0.000 0.433 584 D N -0.364 119.987 120.400 -0.082 0.000 2.309 584 D HA -0.102 4.538 4.640 -0.000 0.000 0.212 584 D C 1.464 177.730 176.300 -0.057 0.000 0.968 584 D CA 1.105 55.073 54.000 -0.052 0.000 0.882 584 D CB -0.092 40.690 40.800 -0.031 0.000 0.918 584 D HN 0.410 nan 8.370 nan 0.000 0.503 585 A N 0.319 123.081 122.820 -0.096 0.000 1.898 585 A HA 0.009 4.329 4.320 -0.000 0.000 0.214 585 A C 2.134 179.669 177.584 -0.081 0.000 1.183 585 A CA 0.496 52.486 52.037 -0.079 0.000 0.622 585 A CB -0.665 18.255 19.000 -0.134 0.000 0.824 585 A HN 0.191 nan 8.150 nan 0.000 0.444 586 L N -0.770 120.384 121.223 -0.116 0.000 2.017 586 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 586 L C 2.905 179.734 176.870 -0.069 0.000 1.073 586 L CA 1.454 56.232 54.840 -0.104 0.000 0.745 586 L CB -0.437 41.545 42.059 -0.129 0.000 0.894 586 L HN 0.376 nan 8.230 nan 0.000 0.432 587 R N -0.562 119.907 120.500 -0.051 0.000 2.097 587 R HA -0.224 4.116 4.340 -0.000 0.000 0.236 587 R C 2.424 178.684 176.300 -0.068 0.000 1.135 587 R CA 1.689 57.760 56.100 -0.049 0.000 0.934 587 R CB -0.500 29.782 30.300 -0.030 0.000 0.846 587 R HN 0.247 nan 8.270 nan 0.000 0.431 588 R N 1.091 121.562 120.500 -0.049 0.000 2.119 588 R HA -0.207 4.133 4.340 -0.000 0.000 0.246 588 R C 2.398 178.668 176.300 -0.051 0.000 1.146 588 R CA 2.290 58.366 56.100 -0.040 0.000 0.962 588 R CB -0.463 29.824 30.300 -0.021 0.000 0.863 588 R HN 0.370 nan 8.270 nan 0.000 0.442 589 I N -2.144 118.391 120.570 -0.058 0.000 2.353 589 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 589 I C 2.288 178.343 176.117 -0.102 0.000 1.119 589 I CA 0.995 62.262 61.300 -0.055 0.000 1.417 589 I CB -0.351 37.629 38.000 -0.034 0.000 1.078 589 I HN -0.042 nan 8.210 nan 0.000 0.421 590 R N 0.740 121.135 120.500 -0.175 0.000 2.082 590 R HA -0.224 4.116 4.340 -0.000 0.000 0.234 590 R C 2.481 178.569 176.300 -0.354 0.000 1.136 590 R CA 2.225 58.097 56.100 -0.381 0.000 0.935 590 R CB -0.539 29.441 30.300 -0.533 0.000 0.842 590 R HN 0.386 nan 8.270 nan 0.000 0.430 591 Q N 1.092 120.759 119.800 -0.222 0.000 2.029 591 Q HA -0.234 4.106 4.340 -0.000 0.000 0.209 591 Q C 1.681 177.652 176.000 -0.048 0.000 0.999 591 Q CA 2.250 57.997 55.803 -0.094 0.000 0.857 591 Q CB -0.102 28.610 28.738 -0.044 0.000 0.926 591 Q HN 0.391 nan 8.270 nan 0.000 0.415 592 E N -1.090 119.085 120.200 -0.042 0.000 2.209 592 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 592 E C 1.812 178.410 176.600 -0.002 0.000 0.993 592 E CA 1.580 57.972 56.400 -0.014 0.000 0.819 592 E CB -0.181 29.516 29.700 -0.006 0.000 0.745 592 E HN 0.484 nan 8.360 nan 0.000 0.477 593 T N 0.867 115.411 114.554 -0.016 0.000 2.942 593 T HA -0.071 4.279 4.350 -0.000 0.000 0.265 593 T C 1.694 176.419 174.700 0.043 0.000 1.062 593 T CA 0.544 62.653 62.100 0.016 0.000 1.139 593 T CB 0.023 68.899 68.868 0.013 0.000 0.883 593 T HN 0.172 nan 8.240 nan 0.000 0.468 594 E N 1.358 121.585 120.200 0.045 0.000 2.012 594 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 594 E C 2.005 178.637 176.600 0.054 0.000 1.007 594 E CA 1.450 57.906 56.400 0.094 0.000 0.816 594 E CB -0.113 29.668 29.700 0.134 0.000 0.762 594 E HN 0.409 nan 8.360 nan 0.000 0.451 595 D N 0.339 120.760 120.400 0.035 0.000 2.133 595 D HA -0.224 4.416 4.640 -0.000 0.000 0.192 595 D C 1.826 178.135 176.300 0.014 0.000 1.001 595 D CA 1.483 55.494 54.000 0.019 0.000 0.844 595 D CB -0.472 40.336 40.800 0.013 0.000 0.944 595 D HN 0.224 nan 8.370 nan 0.000 0.447 596 A N 0.727 123.559 122.820 0.021 0.000 1.908 596 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 596 A C 2.600 180.193 177.584 0.014 0.000 1.181 596 A CA 1.606 53.655 52.037 0.020 0.000 0.627 596 A CB -0.715 18.304 19.000 0.032 0.000 0.818 596 A HN 0.187 nan 8.150 nan 0.000 0.445 597 V N 0.058 119.989 119.914 0.029 0.000 2.453 597 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 597 V C 2.639 178.711 176.094 -0.036 0.000 1.048 597 V CA 1.749 64.063 62.300 0.024 0.000 1.049 597 V CB -0.821 31.052 31.823 0.083 0.000 0.672 597 V HN 0.467 nan 8.190 nan 0.000 0.457 598 R N 0.775 121.259 120.500 -0.027 0.000 2.080 598 R HA -0.139 4.201 4.340 -0.000 0.000 0.236 598 R C 2.532 178.790 176.300 -0.070 0.000 1.137 598 R CA 1.721 57.785 56.100 -0.060 0.000 0.943 598 R CB -1.386 28.900 30.300 -0.023 0.000 0.846 598 R HN 0.558 nan 8.270 nan 0.000 0.431 599 G N -0.451 108.325 108.800 -0.040 0.000 2.517 599 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.222 599 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.222 599 G C 0.972 175.842 174.900 -0.051 0.000 1.109 599 G CA 1.504 46.582 45.100 -0.037 0.000 0.746 599 G HN 0.603 nan 8.290 nan 0.000 0.576 600 G N -2.129 106.631 108.800 -0.066 0.000 2.273 600 G HA2 0.275 4.235 3.960 -0.000 0.000 0.162 600 G HA3 0.275 4.235 3.960 -0.000 0.000 0.162 600 G C 0.375 175.240 174.900 -0.058 0.000 1.006 600 G CA 0.302 45.355 45.100 -0.078 0.000 0.704 600 G HN 1.276 nan 8.290 nan 0.000 0.487 601 A N 0.123 122.922 122.820 -0.035 0.000 2.462 601 A HA 0.654 4.974 4.320 -0.000 0.000 0.243 601 A C 1.249 178.800 177.584 -0.055 0.000 1.076 601 A CA 1.538 53.563 52.037 -0.020 0.000 0.773 601 A CB 0.520 19.529 19.000 0.015 0.000 1.010 601 A HN 0.549 nan 8.150 nan 0.000 0.493 602 T N 1.539 116.010 114.554 -0.139 0.000 2.985 602 T HA 0.211 4.561 4.350 -0.000 0.000 0.254 602 T C -0.026 174.333 174.700 -0.568 0.000 1.021 602 T CA 0.487 62.373 62.100 -0.356 0.000 0.957 602 T CB -0.166 68.414 68.868 -0.480 0.000 1.047 602 T HN 0.740 nan 8.240 nan 0.000 0.511 603 H N -0.434 118.676 119.070 0.066 0.000 2.996 603 H HA 0.596 5.152 4.556 -0.000 0.000 0.368 603 H C -1.340 174.025 175.328 0.060 0.000 1.185 603 H CA -0.552 55.531 56.048 0.060 0.000 1.160 603 H CB 1.800 31.587 29.762 0.041 0.000 1.820 603 H HN -0.118 nan 8.280 nan 0.000 0.547 604 V N 3.388 123.422 119.914 0.201 0.000 2.588 604 V HA 0.354 4.474 4.120 -0.000 0.000 0.304 604 V C 0.052 176.226 176.094 0.133 0.000 1.042 604 V CA -0.586 61.799 62.300 0.142 0.000 0.877 604 V CB 2.232 34.125 31.823 0.118 0.000 0.996 604 V HN 0.524 nan 8.190 nan 0.000 0.425 605 I N 5.324 125.972 120.570 0.129 0.000 2.330 605 I HA 0.420 4.590 4.170 -0.000 0.000 0.289 605 I C -0.480 175.714 176.117 0.130 0.000 1.001 605 I CA -0.260 61.133 61.300 0.155 0.000 1.193 605 I CB 1.399 39.513 38.000 0.189 0.000 1.345 605 I HN 0.357 nan 8.210 nan 0.000 0.461 606 L N 6.701 127.999 121.223 0.125 0.000 2.307 606 L HA 0.644 4.984 4.340 -0.000 0.000 0.284 606 L C -0.110 176.821 176.870 0.102 0.000 1.023 606 L CA -0.009 54.888 54.840 0.095 0.000 0.810 606 L CB 1.780 43.887 42.059 0.080 0.000 1.231 606 L HN 0.678 nan 8.230 nan 0.000 0.423 607 T N -0.082 114.525 114.554 0.089 0.000 2.843 607 T HA 0.251 4.601 4.350 -0.000 0.000 0.302 607 T C -0.067 174.703 174.700 0.116 0.000 1.232 607 T CA -0.622 61.537 62.100 0.099 0.000 1.009 607 T CB 1.875 70.782 68.868 0.064 0.000 1.254 607 T HN 0.545 nan 8.240 nan 0.000 0.504 608 D N 0.196 120.700 120.400 0.173 0.000 2.262 608 D HA 0.117 4.757 4.640 -0.000 0.000 0.212 608 D C 1.690 178.112 176.300 0.204 0.000 0.964 608 D CA 0.724 54.868 54.000 0.241 0.000 0.875 608 D CB 0.183 41.233 40.800 0.417 0.000 0.996 608 D HN 0.767 nan 8.370 nan 0.000 0.497 609 E N 1.093 121.355 120.200 0.102 0.000 2.164 609 E HA -0.261 4.089 4.350 -0.000 0.000 0.233 609 E C 1.518 178.139 176.600 0.036 0.000 1.073 609 E CA 1.782 58.175 56.400 -0.012 0.000 0.941 609 E CB -0.272 29.345 29.700 -0.138 0.000 0.820 609 E HN 0.181 nan 8.360 nan 0.000 0.486 610 A N 0.986 123.822 122.820 0.026 0.000 2.142 610 A HA -0.043 4.277 4.320 -0.000 0.000 0.208 610 A C 0.739 178.338 177.584 0.025 0.000 1.344 610 A CA 0.215 52.264 52.037 0.020 0.000 1.045 610 A CB -0.967 18.039 19.000 0.010 0.000 0.784 610 A HN 0.268 nan 8.150 nan 0.000 0.509 611 M N 0.181 119.819 119.600 0.064 0.000 2.245 611 M HA 0.435 4.915 4.480 -0.000 0.000 0.344 611 M C 0.463 176.770 176.300 0.011 0.000 1.170 611 M CA 0.951 56.278 55.300 0.044 0.000 1.135 611 M CB 0.494 33.166 32.600 0.119 0.000 1.574 611 M HN 0.337 nan 8.290 nan 0.000 0.452 612 G N 3.279 112.015 108.800 -0.106 0.000 2.634 612 G HA2 0.413 4.373 3.960 -0.000 0.000 0.309 612 G HA3 0.413 4.373 3.960 -0.000 0.000 0.309 612 G C -2.943 171.559 174.900 -0.663 0.000 1.299 612 G CA -0.602 44.379 45.100 -0.198 0.000 0.798 612 G HN 0.427 nan 8.290 nan 0.000 0.490 613 P HA 0.069 nan 4.420 nan 0.000 0.229 613 P C 1.348 178.550 177.300 -0.163 0.000 1.160 613 P CA 1.521 64.315 63.100 -0.510 0.000 0.777 613 P CB 0.506 32.182 31.700 -0.039 0.000 0.814 614 A N -0.156 122.577 122.820 -0.145 0.000 2.044 614 A HA 0.124 4.444 4.320 -0.000 0.000 0.213 614 A C 1.321 178.783 177.584 -0.202 0.000 1.169 614 A CA 0.352 52.318 52.037 -0.119 0.000 0.724 614 A CB -0.095 18.853 19.000 -0.087 0.000 0.840 614 A HN 0.072 nan 8.150 nan 0.000 0.463 615 R N -0.221 120.123 120.500 -0.259 0.000 2.473 615 R HA 0.560 4.900 4.340 -0.000 0.000 0.303 615 R C -0.402 175.586 176.300 -0.520 0.000 1.002 615 R CA -0.158 55.723 56.100 -0.364 0.000 0.884 615 R CB 1.750 31.940 30.300 -0.183 0.000 1.173 615 R HN 0.326 nan 8.270 nan 0.000 0.464 616 A N 2.111 124.338 122.820 -0.989 0.000 2.366 616 A HA 0.624 4.944 4.320 -0.000 0.000 0.250 616 A C -0.047 177.304 177.584 -0.388 0.000 1.099 616 A CA -0.177 51.269 52.037 -0.985 0.000 0.794 616 A CB 0.400 18.560 19.000 -1.400 0.000 1.056 616 A HN 0.729 nan 8.150 nan 0.000 0.499 617 A N 0.145 122.973 122.820 0.014 0.000 2.317 617 A HA 0.624 4.944 4.320 -0.000 0.000 0.327 617 A C -0.184 177.636 177.584 0.394 0.000 1.178 617 A CA -0.562 51.629 52.037 0.255 0.000 0.817 617 A CB 0.242 19.481 19.000 0.398 0.000 1.189 617 A HN 0.683 nan 8.150 nan 0.000 0.489 618 I N 2.867 123.638 120.570 0.335 0.000 2.471 618 I HA 0.160 4.330 4.170 -0.000 0.000 0.286 618 I C -1.927 174.280 176.117 0.150 0.000 1.079 618 I CA -1.586 59.844 61.300 0.218 0.000 1.398 618 I CB 1.110 39.167 38.000 0.096 0.000 1.403 618 I HN 0.414 nan 8.210 nan 0.000 0.530 619 P HA -0.098 nan 4.420 nan 0.000 0.250 619 P C 0.629 177.950 177.300 0.035 0.000 1.161 619 P CA 0.267 63.420 63.100 0.088 0.000 0.863 619 P CB 0.564 32.312 31.700 0.080 0.000 0.827 620 A N 4.682 127.519 122.820 0.028 0.000 1.944 620 A HA -0.299 4.021 4.320 -0.000 0.000 0.222 620 A C 1.977 179.520 177.584 -0.070 0.000 1.237 620 A CA 2.054 54.091 52.037 0.000 0.000 0.668 620 A CB -1.472 17.550 19.000 0.037 0.000 0.830 620 A HN 0.508 nan 8.150 nan 0.000 0.471 621 I N -1.403 119.071 120.570 -0.160 0.000 2.091 621 I HA -0.270 3.900 4.170 -0.000 0.000 0.239 621 I C 2.365 178.499 176.117 0.028 0.000 1.061 621 I CA 1.453 62.624 61.300 -0.215 0.000 1.317 621 I CB -0.308 37.438 38.000 -0.424 0.000 1.031 621 I HN 0.360 nan 8.210 nan 0.000 0.401 622 L N 0.672 121.957 121.223 0.103 0.000 2.043 622 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 622 L C 2.497 179.337 176.870 -0.051 0.000 1.075 622 L CA 2.349 57.243 54.840 0.090 0.000 0.752 622 L CB -1.216 40.833 42.059 -0.018 0.000 0.891 622 L HN 0.297 nan 8.230 nan 0.000 0.432 623 A N -2.368 120.430 122.820 -0.036 0.000 1.929 623 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 623 A C 2.231 179.802 177.584 -0.022 0.000 1.176 623 A CA 1.941 53.952 52.037 -0.044 0.000 0.628 623 A CB -0.918 18.075 19.000 -0.012 0.000 0.816 623 A HN 0.469 nan 8.150 nan 0.000 0.444 624 T N -0.130 114.415 114.554 -0.015 0.000 2.788 624 T HA -0.024 4.326 4.350 -0.000 0.000 0.268 624 T C 1.911 176.625 174.700 0.022 0.000 1.044 624 T CA 1.371 63.465 62.100 -0.009 0.000 1.139 624 T CB -0.544 68.289 68.868 -0.058 0.000 0.867 624 T HN 0.565 nan 8.240 nan 0.000 0.454 625 G N 1.419 110.243 108.800 0.039 0.000 2.524 625 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.215 625 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.215 625 G C 1.873 176.772 174.900 -0.002 0.000 1.239 625 G CA 1.017 46.146 45.100 0.048 0.000 0.798 625 G HN 0.535 nan 8.290 nan 0.000 0.557 626 A N -0.050 122.718 122.820 -0.087 0.000 1.906 626 A HA -0.183 4.137 4.320 -0.000 0.000 0.222 626 A C 2.630 180.232 177.584 0.030 0.000 1.282 626 A CA 2.942 54.980 52.037 0.002 0.000 0.675 626 A CB -1.141 17.839 19.000 -0.034 0.000 0.838 626 A HN 0.464 nan 8.150 nan 0.000 0.469 627 V N -0.840 119.086 119.914 0.020 0.000 2.343 627 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 627 V C 2.431 178.596 176.094 0.119 0.000 1.051 627 V CA 2.689 65.014 62.300 0.042 0.000 1.036 627 V CB -1.049 30.793 31.823 0.033 0.000 0.654 627 V HN 0.865 nan 8.190 nan 0.000 0.451 628 H N 1.125 120.205 119.070 0.017 0.000 2.276 628 H HA -0.161 4.395 4.556 -0.000 0.000 0.301 628 H C 2.512 177.844 175.328 0.007 0.000 1.073 628 H CA 2.672 58.729 56.048 0.015 0.000 1.311 628 H CB -0.605 29.150 29.762 -0.011 0.000 1.379 628 H HN 0.542 nan 8.280 nan 0.000 0.494 629 T N -1.540 113.020 114.554 0.011 0.000 2.544 629 T HA -0.382 3.967 4.350 -0.000 0.000 0.264 629 T C 1.954 176.613 174.700 -0.069 0.000 1.096 629 T CA 2.115 64.152 62.100 -0.105 0.000 1.181 629 T CB -1.329 67.513 68.868 -0.045 0.000 0.864 629 T HN 0.704 nan 8.240 nan 0.000 0.415 630 H N 1.436 120.452 119.070 -0.090 0.000 2.255 630 H HA -0.088 4.468 4.556 -0.000 0.000 0.290 630 H C 2.368 177.652 175.328 -0.073 0.000 1.087 630 H CA 2.215 58.221 56.048 -0.071 0.000 1.213 630 H CB -0.566 29.175 29.762 -0.036 0.000 1.349 630 H HN 0.219 nan 8.280 nan 0.000 0.487 631 L N 0.159 121.496 121.223 0.190 0.000 2.151 631 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 631 L C 2.368 179.197 176.870 -0.067 0.000 1.084 631 L CA 1.211 56.102 54.840 0.085 0.000 0.764 631 L CB -0.624 41.483 42.059 0.079 0.000 0.891 631 L HN 0.511 nan 8.230 nan 0.000 0.435 632 I N -0.331 120.135 120.570 -0.173 0.000 2.162 632 I HA -0.236 3.934 4.170 -0.000 0.000 0.238 632 I C 2.662 178.684 176.117 -0.159 0.000 1.076 632 I CA 1.189 62.361 61.300 -0.213 0.000 1.353 632 I CB -1.033 36.770 38.000 -0.327 0.000 1.063 632 I HN 0.313 nan 8.210 nan 0.000 0.408 633 R N 1.049 121.445 120.500 -0.173 0.000 2.153 633 R HA -0.169 4.170 4.340 -0.000 0.000 0.252 633 R C 1.397 177.593 176.300 -0.173 0.000 1.158 633 R CA 1.854 57.851 56.100 -0.172 0.000 0.975 633 R CB -0.651 29.529 30.300 -0.202 0.000 0.871 633 R HN 0.478 nan 8.270 nan 0.000 0.450 634 S N 0.650 116.231 115.700 -0.198 0.000 2.506 634 S HA 0.161 4.631 4.470 -0.000 0.000 0.245 634 S C -0.097 174.476 174.600 -0.045 0.000 1.088 634 S CA -0.683 57.433 58.200 -0.140 0.000 1.099 634 S CB -0.121 62.956 63.200 -0.205 0.000 0.805 634 S HN 0.232 nan 8.310 nan 0.000 0.461 635 N N 0.804 119.478 118.700 -0.043 0.000 2.714 635 N HA -0.137 4.603 4.740 -0.000 0.000 0.252 635 N C -0.173 175.380 175.510 0.072 0.000 1.014 635 N CA 0.472 53.521 53.050 -0.002 0.000 0.735 635 N CB -0.727 37.778 38.487 0.030 0.000 0.924 635 N HN 0.377 nan 8.380 nan 0.000 0.540 636 L N -0.579 120.685 121.223 0.069 0.000 2.730 636 L HA 0.164 4.504 4.340 -0.000 0.000 0.236 636 L C 2.241 179.184 176.870 0.121 0.000 1.061 636 L CA 0.664 55.634 54.840 0.216 0.000 0.898 636 L CB -0.553 41.619 42.059 0.188 0.000 1.270 636 L HN 0.054 nan 8.230 nan 0.000 0.500 637 R N -0.100 120.416 120.500 0.027 0.000 2.154 637 R HA -0.189 4.151 4.340 -0.000 0.000 0.248 637 R C 1.993 178.279 176.300 -0.023 0.000 1.155 637 R CA 2.105 58.222 56.100 0.027 0.000 0.979 637 R CB -0.837 29.444 30.300 -0.033 0.000 0.869 637 R HN 0.225 nan 8.270 nan 0.000 0.452 638 T N -0.925 113.510 114.554 -0.199 0.000 3.113 638 T HA -0.030 4.319 4.350 -0.000 0.000 0.263 638 T C 0.827 175.278 174.700 -0.415 0.000 1.143 638 T CA 0.801 62.701 62.100 -0.333 0.000 1.090 638 T CB -0.251 68.330 68.868 -0.479 0.000 0.922 638 T HN 0.235 nan 8.240 nan 0.000 0.521 639 F N 1.591 121.555 119.950 0.024 0.000 2.387 639 F HA 0.245 4.772 4.527 -0.000 0.000 0.294 639 F C 1.589 177.374 175.800 -0.025 0.000 1.093 639 F CA 0.168 58.168 58.000 -0.000 0.000 1.420 639 F CB -0.364 38.634 39.000 -0.003 0.000 1.086 639 F HN 0.121 nan 8.300 nan 0.000 0.531 640 T N -1.740 112.902 114.554 0.148 0.000 2.910 640 T HA 0.552 4.902 4.350 -0.000 0.000 0.287 640 T C -0.095 174.672 174.700 0.113 0.000 1.050 640 T CA -0.899 61.247 62.100 0.078 0.000 1.011 640 T CB 1.550 70.481 68.868 0.104 0.000 1.195 640 T HN 0.005 nan 8.240 nan 0.000 0.540 641 S N 0.179 115.981 115.700 0.170 0.000 2.617 641 S HA 0.681 5.151 4.470 -0.000 0.000 0.283 641 S C -0.692 174.019 174.600 0.184 0.000 1.189 641 S CA -0.945 57.377 58.200 0.203 0.000 1.036 641 S CB 0.762 64.140 63.200 0.297 0.000 1.014 641 S HN 0.798 nan 8.310 nan 0.000 0.522 642 L N 2.088 123.402 121.223 0.153 0.000 2.342 642 L HA 0.643 4.983 4.340 -0.000 0.000 0.276 642 L C -1.807 175.125 176.870 0.102 0.000 0.997 642 L CA -0.416 54.504 54.840 0.133 0.000 0.838 642 L CB 1.054 43.201 42.059 0.146 0.000 1.224 642 L HN 0.803 nan 8.230 nan 0.000 0.416 643 N N 3.853 122.617 118.700 0.106 0.000 2.314 643 N HA 0.665 5.405 4.740 -0.000 0.000 0.294 643 N C -1.353 174.242 175.510 0.142 0.000 1.029 643 N CA -0.610 52.507 53.050 0.111 0.000 0.845 643 N CB 2.480 41.024 38.487 0.095 0.000 1.321 643 N HN 0.264 nan 8.380 nan 0.000 0.481 644 V N 1.541 121.532 119.914 0.128 0.000 2.581 644 V HA 0.546 4.666 4.120 -0.000 0.000 0.303 644 V C 0.007 176.187 176.094 0.143 0.000 1.041 644 V CA -0.824 61.542 62.300 0.110 0.000 0.907 644 V CB 1.482 33.326 31.823 0.036 0.000 0.994 644 V HN 0.573 nan 8.190 nan 0.000 0.442 645 R N 1.827 122.413 120.500 0.143 0.000 2.439 645 R HA 0.666 5.006 4.340 -0.000 0.000 0.310 645 R C -0.679 175.751 176.300 0.216 0.000 0.955 645 R CA -0.387 55.818 56.100 0.174 0.000 0.853 645 R CB 2.053 32.400 30.300 0.079 0.000 1.171 645 R HN 0.758 nan 8.270 nan 0.000 0.449 646 T N 0.303 114.923 114.554 0.110 0.000 2.893 646 T HA 0.509 4.859 4.350 -0.000 0.000 0.293 646 T C 0.430 174.874 174.700 -0.427 0.000 1.027 646 T CA -0.203 61.862 62.100 -0.058 0.000 0.988 646 T CB 1.853 70.665 68.868 -0.092 0.000 1.043 646 T HN 0.613 nan 8.240 nan 0.000 0.461 647 A N 2.585 125.168 122.820 -0.394 0.000 1.901 647 A HA 0.239 4.559 4.320 -0.000 0.000 0.210 647 A C 1.772 179.163 177.584 -0.321 0.000 1.208 647 A CA 0.976 52.740 52.037 -0.456 0.000 0.644 647 A CB -0.661 18.490 19.000 0.251 0.000 0.863 647 A HN 0.907 nan 8.150 nan 0.000 0.454 648 E N 0.434 120.153 120.200 -0.802 0.000 2.515 648 E HA 0.028 4.378 4.350 -0.000 0.000 0.201 648 E C 0.755 176.779 176.600 -0.960 0.000 1.071 648 E CA 0.245 56.002 56.400 -1.071 0.000 0.880 648 E CB -0.333 28.403 29.700 -1.608 0.000 0.828 648 E HN 0.443 nan 8.360 nan 0.000 0.540 649 G N 0.817 109.117 108.800 -0.832 0.000 2.333 649 G HA2 0.348 4.307 3.960 -0.000 0.000 0.290 649 G HA3 0.348 4.307 3.960 -0.000 0.000 0.290 649 G C -0.001 174.777 174.900 -0.203 0.000 1.150 649 G CA -0.503 44.088 45.100 -0.847 0.000 0.895 649 G HN 0.234 nan 8.290 nan 0.000 0.444 650 L N 1.521 122.727 121.223 -0.027 0.000 2.666 650 L HA 0.382 4.722 4.340 -0.000 0.000 0.184 650 L C 0.468 177.558 176.870 0.367 0.000 1.092 650 L CA 0.600 55.576 54.840 0.226 0.000 0.857 650 L CB 0.182 42.348 42.059 0.178 0.000 1.281 650 L HN 0.561 nan 8.230 nan 0.000 0.489 651 D N -1.800 118.823 120.400 0.373 0.000 2.440 651 D HA 0.207 4.847 4.640 -0.000 0.000 0.258 651 D C 1.188 177.668 176.300 0.300 0.000 1.092 651 D CA 0.337 54.519 54.000 0.303 0.000 1.016 651 D CB 0.015 41.031 40.800 0.361 0.000 1.141 651 D HN 0.227 nan 8.370 nan 0.000 0.552 652 T N -2.722 111.919 114.554 0.144 0.000 2.620 652 T HA -0.371 3.979 4.350 -0.000 0.000 0.267 652 T C 1.683 176.578 174.700 0.325 0.000 1.044 652 T CA 1.877 64.049 62.100 0.120 0.000 1.161 652 T CB -1.014 67.897 68.868 0.073 0.000 0.862 652 T HN 0.589 nan 8.240 nan 0.000 0.438 653 H N -0.067 119.174 119.070 0.286 0.000 2.254 653 H HA -0.193 4.362 4.556 -0.000 0.000 0.294 653 H C 2.237 177.707 175.328 0.237 0.000 1.071 653 H CA 2.408 58.597 56.048 0.235 0.000 1.228 653 H CB -0.668 29.162 29.762 0.114 0.000 1.358 653 H HN 0.428 nan 8.280 nan 0.000 0.495 654 Y N 0.245 120.754 120.300 0.348 0.000 2.133 654 Y HA -0.342 4.208 4.550 -0.000 0.000 0.279 654 Y C 2.548 178.512 175.900 0.107 0.000 1.209 654 Y CA 2.203 60.411 58.100 0.180 0.000 1.152 654 Y CB -0.649 37.931 38.460 0.200 0.000 0.961 654 Y HN 0.171 nan 8.280 nan 0.000 0.512 655 F N -1.086 118.969 119.950 0.176 0.000 2.075 655 F HA -0.192 4.335 4.527 -0.000 0.000 0.297 655 F C 2.562 178.355 175.800 -0.010 0.000 1.113 655 F CA 1.185 59.235 58.000 0.084 0.000 1.218 655 F CB -1.473 37.574 39.000 0.078 0.000 0.984 655 F HN 0.073 nan 8.300 nan 0.000 0.472 656 A N 0.292 123.247 122.820 0.226 0.000 1.870 656 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 656 A C 2.452 180.082 177.584 0.076 0.000 1.224 656 A CA 2.708 54.870 52.037 0.208 0.000 0.650 656 A CB -1.437 17.725 19.000 0.270 0.000 0.836 656 A HN 0.175 nan 8.150 nan 0.000 0.454 657 V N -0.494 119.168 119.914 -0.420 0.000 2.215 657 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 657 V C 2.446 178.228 176.094 -0.520 0.000 1.054 657 V CA 2.292 64.047 62.300 -0.907 0.000 1.012 657 V CB -0.958 30.117 31.823 -1.246 0.000 0.639 657 V HN 0.558 nan 8.190 nan 0.000 0.448 658 L N -0.643 120.279 121.223 -0.501 0.000 2.026 658 L HA -0.302 4.038 4.340 -0.000 0.000 0.231 658 L C 2.215 178.972 176.870 -0.188 0.000 1.095 658 L CA 2.270 56.902 54.840 -0.346 0.000 0.810 658 L CB -0.871 41.017 42.059 -0.284 0.000 0.909 658 L HN 0.257 nan 8.230 nan 0.000 0.444 659 I N -1.014 119.520 120.570 -0.060 0.000 2.113 659 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 659 I C 1.637 177.778 176.117 0.040 0.000 1.064 659 I CA 1.797 63.125 61.300 0.047 0.000 1.320 659 I CB -0.910 37.198 38.000 0.181 0.000 1.028 659 I HN 0.472 nan 8.210 nan 0.000 0.406 660 G N -0.066 108.789 108.800 0.092 0.000 3.709 660 G HA2 0.342 4.302 3.960 -0.000 0.000 0.272 660 G HA3 0.342 4.302 3.960 -0.000 0.000 0.272 660 G C 0.415 175.226 174.900 -0.148 0.000 1.259 660 G CA -0.014 45.050 45.100 -0.061 0.000 1.512 660 G HN 0.249 nan 8.290 nan 0.000 0.625 661 V N -0.934 118.858 119.914 -0.204 0.000 3.537 661 V HA 0.447 4.567 4.120 -0.000 0.000 0.315 661 V C 1.309 177.210 176.094 -0.323 0.000 1.541 661 V CA 0.437 62.615 62.300 -0.202 0.000 1.160 661 V CB 0.111 31.791 31.823 -0.238 0.000 0.998 661 V HN 0.619 nan 8.190 nan 0.000 0.473 662 G N 0.570 109.065 108.800 -0.509 0.000 4.241 662 G HA2 0.159 4.119 3.960 -0.000 0.000 0.193 662 G HA3 0.159 4.119 3.960 -0.000 0.000 0.193 662 G C 0.590 175.306 174.900 -0.307 0.000 1.789 662 G CA 0.199 44.788 45.100 -0.851 0.000 1.025 662 G HN 1.243 nan 8.290 nan 0.000 0.346 663 A N 0.774 123.503 122.820 -0.151 0.000 2.602 663 A HA 0.336 4.656 4.320 -0.000 0.000 0.256 663 A C 1.481 179.080 177.584 0.025 0.000 0.956 663 A CA 1.973 53.986 52.037 -0.040 0.000 0.878 663 A CB -0.053 18.917 19.000 -0.050 0.000 0.834 663 A HN 0.995 nan 8.150 nan 0.000 0.473 664 T N 1.236 115.823 114.554 0.054 0.000 3.010 664 T HA 0.174 4.524 4.350 -0.000 0.000 0.252 664 T C 0.756 175.491 174.700 0.058 0.000 1.047 664 T CA 1.746 63.886 62.100 0.066 0.000 1.140 664 T CB 0.099 69.009 68.868 0.070 0.000 0.885 664 T HN 0.783 nan 8.240 nan 0.000 0.464 665 T N 1.162 115.751 114.554 0.059 0.000 2.993 665 T HA 0.619 4.969 4.350 -0.000 0.000 0.312 665 T C -1.546 173.204 174.700 0.083 0.000 1.115 665 T CA -0.431 61.712 62.100 0.072 0.000 1.027 665 T CB 1.979 70.879 68.868 0.054 0.000 1.116 665 T HN -0.147 nan 8.240 nan 0.000 0.464 666 V N 4.213 124.185 119.914 0.097 0.000 2.914 666 V HA 0.698 4.818 4.120 -0.000 0.000 0.314 666 V C -0.586 175.585 176.094 0.128 0.000 1.084 666 V CA -0.951 61.369 62.300 0.033 0.000 0.963 666 V CB 2.226 33.931 31.823 -0.196 0.000 1.025 666 V HN 0.861 nan 8.190 nan 0.000 0.432 667 N N 2.690 121.448 118.700 0.097 0.000 2.558 667 N HA 0.439 5.179 4.740 -0.000 0.000 0.285 667 N C -0.906 174.667 175.510 0.105 0.000 1.112 667 N CA -0.279 52.877 53.050 0.177 0.000 0.857 667 N CB 2.073 40.697 38.487 0.228 0.000 1.376 667 N HN 0.802 nan 8.380 nan 0.000 0.526 668 A N 3.888 126.807 122.820 0.165 0.000 2.415 668 A HA 0.249 4.569 4.320 -0.000 0.000 0.309 668 A C 0.212 177.815 177.584 0.031 0.000 1.356 668 A CA -0.571 51.499 52.037 0.055 0.000 0.998 668 A CB -0.496 18.656 19.000 0.254 0.000 1.145 668 A HN 0.778 nan 8.150 nan 0.000 0.545 669 Y N 1.785 122.086 120.300 0.001 0.000 2.503 669 Y HA 0.285 4.835 4.550 -0.000 0.000 0.278 669 Y C 0.788 176.680 175.900 -0.013 0.000 1.111 669 Y CA -0.022 58.060 58.100 -0.029 0.000 1.270 669 Y CB 0.138 38.542 38.460 -0.092 0.000 1.063 669 Y HN 0.390 nan 8.280 nan 0.000 0.548 670 L N 0.892 121.860 121.223 -0.425 0.000 2.851 670 L HA 0.501 4.841 4.340 -0.000 0.000 0.237 670 L C 0.661 177.473 176.870 -0.096 0.000 1.257 670 L CA 0.641 55.369 54.840 -0.186 0.000 1.061 670 L CB -0.048 41.840 42.059 -0.286 0.000 1.372 670 L HN 0.542 nan 8.230 nan 0.000 0.493 671 A N -1.399 121.365 122.820 -0.093 0.000 1.999 671 A HA 0.005 4.325 4.320 -0.000 0.000 0.190 671 A C 1.740 179.215 177.584 -0.181 0.000 1.737 671 A CA -0.076 51.893 52.037 -0.113 0.000 1.257 671 A CB 0.111 19.049 19.000 -0.102 0.000 1.401 671 A HN 0.369 nan 8.150 nan 0.000 0.430 672 Q N 0.036 119.752 119.800 -0.141 0.000 2.119 672 Q HA -0.185 4.155 4.340 -0.000 0.000 0.201 672 Q C 1.750 177.710 176.000 -0.068 0.000 0.972 672 Q CA 1.856 57.575 55.803 -0.141 0.000 0.847 672 Q CB 0.038 28.749 28.738 -0.045 0.000 0.903 672 Q HN 0.680 nan 8.270 nan 0.000 0.433 673 E N 0.156 120.346 120.200 -0.016 0.000 2.007 673 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 673 E C 1.797 178.405 176.600 0.015 0.000 0.999 673 E CA 1.458 57.868 56.400 0.016 0.000 0.811 673 E CB -0.282 29.447 29.700 0.049 0.000 0.762 673 E HN 0.429 nan 8.360 nan 0.000 0.450 674 A N 0.453 123.277 122.820 0.007 0.000 1.971 674 A HA -0.265 4.055 4.320 -0.000 0.000 0.222 674 A C 2.251 179.871 177.584 0.061 0.000 1.182 674 A CA 1.799 53.855 52.037 0.032 0.000 0.649 674 A CB -0.919 18.100 19.000 0.033 0.000 0.818 674 A HN 0.341 nan 8.150 nan 0.000 0.458 675 I N -0.572 120.005 120.570 0.010 0.000 2.113 675 I HA -0.299 3.871 4.170 -0.000 0.000 0.238 675 I C 3.008 179.216 176.117 0.151 0.000 1.070 675 I CA 1.139 62.470 61.300 0.052 0.000 1.332 675 I CB -0.478 37.446 38.000 -0.127 0.000 1.044 675 I HN 0.380 nan 8.210 nan 0.000 0.402 676 A N 0.363 123.225 122.820 0.070 0.000 1.870 676 A HA -0.363 3.957 4.320 -0.000 0.000 0.219 676 A C 2.326 180.010 177.584 0.167 0.000 1.224 676 A CA 2.424 54.524 52.037 0.105 0.000 0.650 676 A CB -0.968 18.063 19.000 0.051 0.000 0.836 676 A HN 0.512 nan 8.150 nan 0.000 0.454 677 E N -0.083 120.186 120.200 0.115 0.000 2.048 677 E HA -0.263 4.087 4.350 -0.000 0.000 0.202 677 E C 2.270 178.945 176.600 0.126 0.000 1.021 677 E CA 1.692 58.150 56.400 0.098 0.000 0.825 677 E CB -0.403 29.334 29.700 0.063 0.000 0.756 677 E HN 0.568 nan 8.360 nan 0.000 0.454 678 R N -0.412 120.188 120.500 0.167 0.000 2.113 678 R HA -0.194 4.146 4.340 -0.000 0.000 0.244 678 R C 2.543 178.959 176.300 0.193 0.000 1.142 678 R CA 1.724 57.922 56.100 0.164 0.000 0.953 678 R CB -0.857 29.641 30.300 0.330 0.000 0.860 678 R HN 0.472 nan 8.270 nan 0.000 0.438 679 H N 0.469 119.698 119.070 0.264 0.000 2.547 679 H HA 0.039 4.595 4.556 -0.000 0.000 0.272 679 H C 1.753 177.156 175.328 0.125 0.000 0.989 679 H CA 0.850 57.065 56.048 0.280 0.000 1.214 679 H CB 0.221 30.173 29.762 0.316 0.000 1.389 679 H HN 0.110 nan 8.280 nan 0.000 0.577 680 R N 0.563 121.169 120.500 0.177 0.000 2.062 680 R HA 0.019 4.359 4.340 -0.000 0.000 0.226 680 R C 1.486 177.776 176.300 -0.016 0.000 1.125 680 R CA 0.779 56.928 56.100 0.081 0.000 0.966 680 R CB 0.128 30.485 30.300 0.095 0.000 0.861 680 R HN 0.323 nan 8.270 nan 0.000 0.433 681 R N 0.748 121.238 120.500 -0.016 0.000 4.054 681 R HA 0.146 4.486 4.340 -0.000 0.000 0.227 681 R C 0.358 176.600 176.300 -0.098 0.000 1.902 681 R CA 0.524 56.593 56.100 -0.051 0.000 1.590 681 R CB -0.506 29.767 30.300 -0.045 0.000 1.245 681 R HN 0.175 nan 8.270 nan 0.000 0.647 682 G N 1.464 110.182 108.800 -0.137 0.000 2.450 682 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.302 682 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.302 682 G C 0.632 175.424 174.900 -0.180 0.000 0.957 682 G CA 0.275 45.274 45.100 -0.169 0.000 1.005 682 G HN 0.531 nan 8.290 nan 0.000 0.514 683 L N -2.181 118.881 121.223 -0.268 0.000 2.418 683 L HA 0.245 4.585 4.340 -0.000 0.000 0.218 683 L C 1.427 177.962 176.870 -0.559 0.000 1.125 683 L CA 0.397 54.982 54.840 -0.425 0.000 0.835 683 L CB -0.249 41.480 42.059 -0.550 0.000 0.953 683 L HN 0.285 nan 8.230 nan 0.000 0.454 684 F N -1.067 118.943 119.950 0.099 0.000 2.590 684 F HA 0.533 5.060 4.527 -0.000 0.000 0.379 684 F C 1.432 177.260 175.800 0.046 0.000 1.154 684 F CA -0.579 57.489 58.000 0.113 0.000 1.136 684 F CB -0.475 38.614 39.000 0.149 0.000 1.601 684 F HN -0.273 nan 8.300 nan 0.000 0.504 685 G N -0.412 108.523 108.800 0.225 0.000 3.286 685 G HA2 0.240 4.200 3.960 -0.000 0.000 0.173 685 G HA3 0.240 4.200 3.960 -0.000 0.000 0.173 685 G C 0.293 175.223 174.900 0.050 0.000 1.704 685 G CA 0.306 45.463 45.100 0.095 0.000 1.041 685 G HN 0.565 nan 8.290 nan 0.000 0.561 686 S N -0.587 115.149 115.700 0.060 0.000 2.622 686 S HA 0.312 4.781 4.470 -0.000 0.000 0.236 686 S C 0.855 175.536 174.600 0.134 0.000 0.956 686 S CA -0.288 57.946 58.200 0.057 0.000 0.971 686 S CB -0.305 62.922 63.200 0.044 0.000 0.782 686 S HN 0.362 nan 8.310 nan 0.000 0.468 687 M N 3.096 122.808 119.600 0.186 0.000 2.269 687 M HA 0.225 4.705 4.480 -0.000 0.000 0.350 687 M C -2.541 173.926 176.300 0.279 0.000 1.429 687 M CA -1.550 53.868 55.300 0.197 0.000 1.063 687 M CB 0.401 33.126 32.600 0.208 0.000 1.841 687 M HN 0.026 nan 8.290 nan 0.000 0.455 688 P HA -0.076 nan 4.420 nan 0.000 0.266 688 P C 0.381 177.615 177.300 -0.110 0.000 1.195 688 P CA -0.283 62.851 63.100 0.058 0.000 0.768 688 P CB 0.460 32.175 31.700 0.025 0.000 0.838 689 L N 3.498 124.530 121.223 -0.318 0.000 2.017 689 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 689 L C 1.786 178.544 176.870 -0.188 0.000 1.073 689 L CA 2.084 56.679 54.840 -0.408 0.000 0.745 689 L CB -1.471 40.363 42.059 -0.376 0.000 0.894 689 L HN 0.267 nan 8.230 nan 0.000 0.432 690 E N 0.059 120.192 120.200 -0.111 0.000 2.086 690 E HA -0.322 4.028 4.350 -0.000 0.000 0.205 690 E C 2.265 178.830 176.600 -0.058 0.000 1.027 690 E CA 1.999 58.364 56.400 -0.058 0.000 0.830 690 E CB -0.400 29.284 29.700 -0.028 0.000 0.751 690 E HN 0.430 nan 8.360 nan 0.000 0.456 691 K N -0.360 120.005 120.400 -0.059 0.000 2.155 691 K HA -0.003 4.317 4.320 -0.000 0.000 0.203 691 K C 2.009 178.557 176.600 -0.086 0.000 1.052 691 K CA 1.251 57.509 56.287 -0.049 0.000 0.948 691 K CB -0.448 32.038 32.500 -0.023 0.000 0.728 691 K HN 0.199 nan 8.250 nan 0.000 0.448 692 G N 0.479 109.192 108.800 -0.146 0.000 2.408 692 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 692 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 692 G C 1.299 176.101 174.900 -0.163 0.000 1.150 692 G CA 0.683 45.640 45.100 -0.237 0.000 0.776 692 G HN 0.132 nan 8.290 nan 0.000 0.542 693 M N 1.467 120.998 119.600 -0.114 0.000 2.066 693 M HA 0.089 4.569 4.480 -0.000 0.000 0.259 693 M C 3.057 179.373 176.300 0.026 0.000 1.074 693 M CA 1.126 56.405 55.300 -0.035 0.000 1.114 693 M CB -1.591 30.994 32.600 -0.025 0.000 1.306 693 M HN 0.294 nan 8.290 nan 0.000 0.411 694 A N 1.119 123.938 122.820 -0.001 0.000 1.894 694 A HA -0.312 4.008 4.320 -0.000 0.000 0.220 694 A C 2.009 179.592 177.584 -0.001 0.000 1.237 694 A CA 2.623 54.662 52.037 0.002 0.000 0.660 694 A CB -1.301 17.693 19.000 -0.010 0.000 0.835 694 A HN 0.609 nan 8.150 nan 0.000 0.461 695 N N -1.484 117.202 118.700 -0.022 0.000 2.036 695 N HA -0.219 4.521 4.740 -0.000 0.000 0.195 695 N C 1.586 177.093 175.510 -0.005 0.000 1.037 695 N CA 1.870 54.901 53.050 -0.030 0.000 0.855 695 N CB -0.947 37.502 38.487 -0.062 0.000 1.033 695 N HN 0.663 nan 8.380 nan 0.000 0.423 696 Y N 1.956 122.180 120.300 -0.127 0.000 2.069 696 Y HA -0.304 4.246 4.550 -0.000 0.000 0.278 696 Y C 2.442 178.276 175.900 -0.110 0.000 1.175 696 Y CA 2.069 60.098 58.100 -0.117 0.000 1.134 696 Y CB -0.407 37.989 38.460 -0.106 0.000 0.965 696 Y HN 0.015 nan 8.280 nan 0.000 0.498 697 K N 0.372 120.755 120.400 -0.028 0.000 2.001 697 K HA -0.315 4.005 4.320 -0.000 0.000 0.214 697 K C 2.345 178.838 176.600 -0.179 0.000 1.050 697 K CA 2.215 58.423 56.287 -0.131 0.000 0.934 697 K CB -0.399 32.099 32.500 -0.004 0.000 0.718 697 K HN 0.312 nan 8.250 nan 0.000 0.443 698 K N -0.160 120.176 120.400 -0.107 0.000 2.228 698 K HA -0.186 4.134 4.320 -0.000 0.000 0.205 698 K C 1.596 178.111 176.600 -0.141 0.000 1.045 698 K CA 1.449 57.675 56.287 -0.101 0.000 0.931 698 K CB -0.089 32.373 32.500 -0.063 0.000 0.727 698 K HN 0.264 nan 8.250 nan 0.000 0.458 699 A N 0.217 122.917 122.820 -0.201 0.000 2.081 699 A HA 0.097 4.417 4.320 -0.000 0.000 0.214 699 A C 1.822 179.244 177.584 -0.270 0.000 1.158 699 A CA 0.346 52.265 52.037 -0.198 0.000 0.724 699 A CB -0.042 18.848 19.000 -0.183 0.000 0.826 699 A HN 0.282 nan 8.150 nan 0.000 0.463 700 I N -0.486 119.838 120.570 -0.410 0.000 2.585 700 I HA -0.103 4.067 4.170 -0.000 0.000 0.254 700 I C 1.582 177.515 176.117 -0.307 0.000 1.129 700 I CA 0.685 61.682 61.300 -0.506 0.000 1.455 700 I CB -0.155 37.306 38.000 -0.898 0.000 1.111 700 I HN 0.170 nan 8.210 nan 0.000 0.433 701 D N 1.320 121.585 120.400 -0.225 0.000 2.087 701 D HA -0.194 4.446 4.640 -0.000 0.000 0.192 701 D C 1.556 177.790 176.300 -0.109 0.000 0.993 701 D CA 1.441 55.362 54.000 -0.132 0.000 0.828 701 D CB -0.450 40.294 40.800 -0.093 0.000 0.968 701 D HN 0.253 nan 8.370 nan 0.000 0.448 702 D N 0.088 120.427 120.400 -0.102 0.000 2.350 702 D HA -0.042 4.598 4.640 -0.000 0.000 0.216 702 D C 2.034 178.289 176.300 -0.076 0.000 0.968 702 D CA 0.761 54.717 54.000 -0.073 0.000 0.894 702 D CB -0.601 40.165 40.800 -0.056 0.000 0.909 702 D HN 0.253 nan 8.370 nan 0.000 0.520 703 G N 1.048 109.779 108.800 -0.115 0.000 2.514 703 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 703 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 703 G C 1.437 176.309 174.900 -0.047 0.000 1.198 703 G CA 0.453 45.496 45.100 -0.095 0.000 0.780 703 G HN 0.143 nan 8.290 nan 0.000 0.565 704 L N 0.593 121.773 121.223 -0.073 0.000 1.925 704 L HA 0.101 4.441 4.340 -0.000 0.000 0.215 704 L C 2.986 179.791 176.870 -0.109 0.000 1.082 704 L CA 0.997 55.783 54.840 -0.090 0.000 0.764 704 L CB -1.363 40.640 42.059 -0.093 0.000 0.887 704 L HN 0.177 nan 8.230 nan 0.000 0.432 705 L N -0.396 120.768 121.223 -0.097 0.000 2.274 705 L HA -0.403 3.937 4.340 -0.000 0.000 0.220 705 L C 2.578 179.411 176.870 -0.060 0.000 1.088 705 L CA 2.093 56.885 54.840 -0.079 0.000 0.801 705 L CB -0.641 41.387 42.059 -0.052 0.000 0.891 705 L HN 0.470 nan 8.230 nan 0.000 0.444 706 K N 0.523 120.897 120.400 -0.042 0.000 2.044 706 K HA -0.090 4.229 4.320 -0.000 0.000 0.204 706 K C 2.107 178.708 176.600 0.002 0.000 1.045 706 K CA 0.771 57.052 56.287 -0.010 0.000 0.951 706 K CB -0.016 32.487 32.500 0.005 0.000 0.738 706 K HN 0.170 nan 8.250 nan 0.000 0.443 707 I N 1.389 121.962 120.570 0.006 0.000 2.248 707 I HA -0.342 3.828 4.170 -0.000 0.000 0.248 707 I C 2.388 178.493 176.117 -0.020 0.000 1.107 707 I CA 1.431 62.755 61.300 0.041 0.000 1.373 707 I CB -0.130 37.917 38.000 0.079 0.000 1.055 707 I HN 0.353 nan 8.210 nan 0.000 0.418 708 M N -0.035 119.483 119.600 -0.136 0.000 2.099 708 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 708 M C 2.442 178.734 176.300 -0.013 0.000 1.067 708 M CA 2.051 57.261 55.300 -0.149 0.000 1.124 708 M CB -0.544 31.913 32.600 -0.237 0.000 1.353 708 M HN 0.278 nan 8.290 nan 0.000 0.410 709 S N 0.218 115.912 115.700 -0.010 0.000 2.500 709 S HA -0.077 4.393 4.470 -0.000 0.000 0.239 709 S C 1.610 176.237 174.600 0.045 0.000 0.989 709 S CA 0.814 59.025 58.200 0.018 0.000 0.951 709 S CB -0.525 62.685 63.200 0.017 0.000 0.759 709 S HN 0.427 nan 8.310 nan 0.000 0.523 710 K N 1.279 121.719 120.400 0.065 0.000 2.360 710 K HA 0.058 4.378 4.320 -0.000 0.000 0.201 710 K C 1.846 178.524 176.600 0.130 0.000 1.046 710 K CA 1.415 57.769 56.287 0.111 0.000 0.945 710 K CB -0.275 32.315 32.500 0.149 0.000 0.750 710 K HN 0.733 nan 8.250 nan 0.000 0.464 711 M N -3.515 116.138 119.600 0.088 0.000 2.347 711 M HA 0.337 4.817 4.480 -0.000 0.000 0.302 711 M C 0.683 177.005 176.300 0.037 0.000 1.051 711 M CA 0.475 55.811 55.300 0.061 0.000 0.988 711 M CB 1.217 33.836 32.600 0.033 0.000 1.475 711 M HN 0.104 nan 8.290 nan 0.000 0.530 712 G N 2.147 110.966 108.800 0.031 0.000 2.199 712 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.254 712 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.254 712 G C 0.057 174.966 174.900 0.015 0.000 0.982 712 G CA -0.025 45.079 45.100 0.007 0.000 0.632 712 G HN 0.550 nan 8.290 nan 0.000 0.529 713 I N 2.019 122.612 120.570 0.038 0.000 2.556 713 I HA 0.193 4.363 4.170 -0.000 0.000 0.284 713 I C 1.196 177.330 176.117 0.028 0.000 1.114 713 I CA 0.623 61.953 61.300 0.051 0.000 1.418 713 I CB 1.311 39.378 38.000 0.111 0.000 1.394 713 I HN 0.109 nan 8.210 nan 0.000 0.552 714 S N 4.580 120.294 115.700 0.023 0.000 2.554 714 S HA 0.262 4.731 4.470 -0.000 0.000 0.226 714 S C 0.073 174.677 174.600 0.007 0.000 0.980 714 S CA -0.272 57.933 58.200 0.009 0.000 0.939 714 S CB 0.360 63.567 63.200 0.011 0.000 0.832 714 S HN 0.415 nan 8.310 nan 0.000 0.486 715 V N 1.217 121.144 119.914 0.022 0.000 2.851 715 V HA 0.376 4.496 4.120 -0.000 0.000 0.307 715 V C 0.461 176.587 176.094 0.053 0.000 1.129 715 V CA -0.726 61.587 62.300 0.022 0.000 0.932 715 V CB 2.215 34.052 31.823 0.025 0.000 1.024 715 V HN 0.270 nan 8.190 nan 0.000 0.426 716 I N 2.424 123.018 120.570 0.040 0.000 2.617 716 I HA -0.118 4.052 4.170 -0.000 0.000 0.256 716 I C 2.274 178.476 176.117 0.142 0.000 1.167 716 I CA 1.717 63.074 61.300 0.094 0.000 1.469 716 I CB 0.477 38.505 38.000 0.047 0.000 1.098 716 I HN 0.880 nan 8.210 nan 0.000 0.436 717 S N 0.020 115.754 115.700 0.056 0.000 2.370 717 S HA -0.186 4.284 4.470 -0.000 0.000 0.226 717 S C 1.968 176.621 174.600 0.088 0.000 1.033 717 S CA 1.722 59.915 58.200 -0.012 0.000 1.011 717 S CB -0.667 62.469 63.200 -0.108 0.000 0.852 717 S HN 0.438 nan 8.310 nan 0.000 0.457 718 S N 0.416 116.182 115.700 0.111 0.000 2.428 718 S HA 0.041 4.511 4.470 -0.000 0.000 0.230 718 S C 1.511 176.230 174.600 0.198 0.000 1.014 718 S CA 0.765 59.057 58.200 0.153 0.000 0.957 718 S CB -0.433 62.793 63.200 0.044 0.000 0.784 718 S HN 0.666 nan 8.310 nan 0.000 0.499 719 Y N 2.243 122.598 120.300 0.092 0.000 2.337 719 Y HA 0.208 4.758 4.550 -0.000 0.000 0.293 719 Y C 1.117 177.073 175.900 0.094 0.000 1.123 719 Y CA 0.319 58.455 58.100 0.059 0.000 1.201 719 Y CB 0.036 38.520 38.460 0.040 0.000 1.011 719 Y HN -0.004 nan 8.280 nan 0.000 0.545 720 R N 0.183 120.853 120.500 0.282 0.000 2.623 720 R HA 0.118 4.458 4.340 -0.000 0.000 0.271 720 R C 1.395 177.743 176.300 0.080 0.000 1.043 720 R CA 1.054 57.293 56.100 0.232 0.000 1.083 720 R CB -0.066 30.449 30.300 0.358 0.000 0.974 720 R HN 0.668 nan 8.270 nan 0.000 0.436 721 G N 2.511 111.240 108.800 -0.117 0.000 2.300 721 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.267 721 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.267 721 G C 0.963 175.697 174.900 -0.276 0.000 0.980 721 G CA 0.888 45.820 45.100 -0.280 0.000 0.635 721 G HN 0.853 nan 8.290 nan 0.000 0.552 722 G N 0.650 109.278 108.800 -0.287 0.000 2.527 722 G HA2 0.397 4.357 3.960 -0.000 0.000 0.219 722 G HA3 0.397 4.357 3.960 -0.000 0.000 0.219 722 G C 1.568 176.321 174.900 -0.245 0.000 1.117 722 G CA 1.319 46.242 45.100 -0.296 0.000 0.759 722 G HN 2.099 nan 8.290 nan 0.000 0.556 723 G N 0.423 109.101 108.800 -0.204 0.000 2.342 723 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.267 723 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.267 723 G C 0.167 175.003 174.900 -0.107 0.000 0.922 723 G CA 0.091 45.147 45.100 -0.072 0.000 1.342 723 G HN 0.472 nan 8.290 nan 0.000 0.430 724 N N 0.615 119.155 118.700 -0.266 0.000 2.671 724 N HA 0.365 5.105 4.740 -0.000 0.000 0.303 724 N C -0.110 174.897 175.510 -0.838 0.000 1.351 724 N CA 0.101 52.850 53.050 -0.502 0.000 0.991 724 N CB 0.322 38.450 38.487 -0.598 0.000 1.307 724 N HN 0.407 nan 8.380 nan 0.000 0.512 725 F N 0.947 120.900 119.950 0.005 0.000 2.780 725 F HA 0.493 5.020 4.527 -0.000 0.000 0.394 725 F C 0.527 176.388 175.800 0.102 0.000 1.244 725 F CA -0.902 57.156 58.000 0.097 0.000 1.133 725 F CB 0.798 39.886 39.000 0.146 0.000 1.528 725 F HN -0.109 nan 8.300 nan 0.000 0.496 726 E N -0.233 120.166 120.200 0.333 0.000 2.422 726 E HA 0.587 4.937 4.350 -0.000 0.000 0.289 726 E C -2.038 174.626 176.600 0.107 0.000 0.985 726 E CA -0.720 55.775 56.400 0.157 0.000 0.812 726 E CB 1.600 31.364 29.700 0.107 0.000 1.226 726 E HN 0.703 nan 8.360 nan 0.000 0.419 727 A N 5.553 128.374 122.820 0.002 0.000 2.341 727 A HA 0.479 4.799 4.320 -0.000 0.000 0.326 727 A C -0.411 177.135 177.584 -0.064 0.000 1.402 727 A CA -0.588 51.350 52.037 -0.165 0.000 0.957 727 A CB -0.045 18.784 19.000 -0.285 0.000 1.151 727 A HN 0.652 nan 8.150 nan 0.000 0.533 728 I N 2.715 123.278 120.570 -0.012 0.000 2.428 728 I HA 0.573 4.743 4.170 -0.000 0.000 0.289 728 I C 1.068 177.247 176.117 0.104 0.000 1.019 728 I CA 1.403 62.720 61.300 0.028 0.000 1.351 728 I CB 1.082 39.097 38.000 0.025 0.000 1.412 728 I HN 1.015 nan 8.210 nan 0.000 0.513 729 G N 6.454 115.315 108.800 0.102 0.000 3.400 729 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.209 729 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.209 729 G C 0.238 175.166 174.900 0.047 0.000 1.411 729 G CA 0.018 45.238 45.100 0.201 0.000 0.917 729 G HN 0.644 nan 8.290 nan 0.000 0.570 730 L N 2.205 123.356 121.223 -0.121 0.000 2.492 730 L HA 0.418 4.758 4.340 -0.000 0.000 0.280 730 L C 1.519 178.352 176.870 -0.061 0.000 1.240 730 L CA 0.452 55.181 54.840 -0.186 0.000 0.831 730 L CB 0.360 42.272 42.059 -0.246 0.000 1.100 730 L HN 0.682 nan 8.230 nan 0.000 0.505 731 S N 1.313 116.993 115.700 -0.033 0.000 2.565 731 S HA 0.211 4.681 4.470 -0.000 0.000 0.276 731 S C 1.052 175.666 174.600 0.024 0.000 1.326 731 S CA -0.569 57.631 58.200 -0.000 0.000 1.045 731 S CB 1.364 64.566 63.200 0.003 0.000 0.918 731 S HN 0.659 nan 8.310 nan 0.000 0.505 732 R N 2.495 123.007 120.500 0.020 0.000 2.171 732 R HA -0.206 4.134 4.340 -0.000 0.000 0.232 732 R C 2.708 179.026 176.300 0.030 0.000 1.116 732 R CA 2.162 58.278 56.100 0.026 0.000 0.901 732 R CB -1.342 28.967 30.300 0.014 0.000 0.850 732 R HN 0.935 nan 8.270 nan 0.000 0.431 733 A N 0.853 123.681 122.820 0.014 0.000 1.944 733 A HA -0.273 4.047 4.320 -0.000 0.000 0.222 733 A C 2.069 179.655 177.584 0.003 0.000 1.237 733 A CA 2.067 54.104 52.037 -0.000 0.000 0.668 733 A CB -0.821 18.176 19.000 -0.004 0.000 0.830 733 A HN 0.363 nan 8.150 nan 0.000 0.471 734 L N -0.293 120.957 121.223 0.045 0.000 2.056 734 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 734 L C 2.405 179.365 176.870 0.151 0.000 1.078 734 L CA 2.101 57.005 54.840 0.107 0.000 0.749 734 L CB -0.566 41.571 42.059 0.131 0.000 0.901 734 L HN 0.176 nan 8.230 nan 0.000 0.433 735 V N -0.023 120.008 119.914 0.194 0.000 2.548 735 V HA -0.172 3.948 4.120 -0.000 0.000 0.249 735 V C 2.740 178.960 176.094 0.210 0.000 1.055 735 V CA 1.304 63.823 62.300 0.365 0.000 1.065 735 V CB -1.449 30.541 31.823 0.278 0.000 0.681 735 V HN 0.560 nan 8.190 nan 0.000 0.462 736 A N 0.681 123.550 122.820 0.081 0.000 1.841 736 A HA -0.239 4.081 4.320 -0.000 0.000 0.214 736 A C 2.230 179.767 177.584 -0.078 0.000 1.195 736 A CA 1.960 54.003 52.037 0.010 0.000 0.611 736 A CB -0.586 18.409 19.000 -0.009 0.000 0.835 736 A HN 0.573 nan 8.150 nan 0.000 0.443 737 E N -0.254 119.852 120.200 -0.158 0.000 2.033 737 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 737 E C 1.828 178.160 176.600 -0.446 0.000 1.011 737 E CA 2.194 58.379 56.400 -0.359 0.000 0.815 737 E CB -0.361 28.987 29.700 -0.587 0.000 0.755 737 E HN 0.771 nan 8.360 nan 0.000 0.451 738 H N -1.971 116.920 119.070 -0.299 0.000 2.553 738 H HA 0.159 4.715 4.556 -0.000 0.000 0.276 738 H C 0.149 175.069 175.328 -0.680 0.000 0.979 738 H CA 0.258 55.989 56.048 -0.529 0.000 1.268 738 H CB 0.202 29.520 29.762 -0.742 0.000 1.450 738 H HN 0.115 nan 8.280 nan 0.000 0.527 739 F N 0.779 120.811 119.950 0.135 0.000 2.509 739 F HA 0.383 4.910 4.527 -0.000 0.000 0.334 739 F C -1.648 174.176 175.800 0.041 0.000 1.060 739 F CA -2.852 55.195 58.000 0.078 0.000 0.997 739 F CB -0.145 38.907 39.000 0.087 0.000 1.271 739 F HN -0.195 nan 8.300 nan 0.000 0.488 740 P HA -0.006 nan 4.420 nan 0.000 0.277 740 P C -1.108 176.251 177.300 0.099 0.000 1.269 740 P CA -0.130 63.018 63.100 0.081 0.000 0.840 740 P CB 0.177 31.903 31.700 0.043 0.000 1.156 741 A N 0.629 123.469 122.820 0.034 0.000 2.396 741 A HA 0.493 4.813 4.320 -0.000 0.000 0.279 741 A C -0.075 177.543 177.584 0.056 0.000 1.165 741 A CA 0.423 52.482 52.037 0.038 0.000 0.824 741 A CB -0.869 18.129 19.000 -0.003 0.000 1.100 741 A HN 0.342 nan 8.150 nan 0.000 0.516 742 M N 2.627 122.284 119.600 0.095 0.000 2.484 742 M HA 0.324 4.803 4.480 -0.000 0.000 0.289 742 M C -0.750 175.600 176.300 0.083 0.000 1.206 742 M CA -0.656 54.705 55.300 0.101 0.000 0.892 742 M CB 2.301 35.010 32.600 0.181 0.000 1.712 742 M HN 0.350 nan 8.290 nan 0.000 0.462 743 V N 0.963 120.912 119.914 0.058 0.000 3.083 743 V HA 0.467 4.587 4.120 -0.000 0.000 0.306 743 V C 0.319 176.439 176.094 0.043 0.000 1.077 743 V CA -0.211 62.113 62.300 0.041 0.000 1.073 743 V CB 1.648 33.486 31.823 0.026 0.000 1.081 743 V HN 0.925 nan 8.190 nan 0.000 0.474 744 S N 0.982 116.701 115.700 0.030 0.000 2.708 744 S HA 0.268 4.738 4.470 -0.000 0.000 0.141 744 S C 0.872 175.480 174.600 0.014 0.000 1.349 744 S CA -0.695 57.515 58.200 0.017 0.000 1.206 744 S CB 0.024 63.231 63.200 0.012 0.000 1.603 744 S HN 0.694 nan 8.310 nan 0.000 0.415 745 R N 1.065 121.574 120.500 0.015 0.000 2.332 745 R HA -0.057 4.283 4.340 -0.000 0.000 0.239 745 R C -0.257 176.049 176.300 0.010 0.000 1.160 745 R CA 1.213 57.322 56.100 0.014 0.000 1.020 745 R CB -0.626 29.683 30.300 0.015 0.000 0.859 745 R HN 0.527 nan 8.270 nan 0.000 0.478 746 I N -0.061 120.514 120.570 0.009 0.000 2.529 746 I HA 0.096 4.266 4.170 -0.000 0.000 0.284 746 I C 0.101 176.222 176.117 0.007 0.000 1.088 746 I CA -0.746 60.558 61.300 0.007 0.000 1.062 746 I CB 1.885 39.888 38.000 0.005 0.000 1.218 746 I HN -0.071 nan 8.210 nan 0.000 0.442 747 S N 3.130 118.834 115.700 0.007 0.000 2.555 747 S HA 0.480 4.950 4.470 -0.000 0.000 0.264 747 S C 0.574 175.176 174.600 0.003 0.000 1.378 747 S CA 0.233 58.436 58.200 0.005 0.000 0.996 747 S CB 0.564 63.767 63.200 0.006 0.000 0.869 747 S HN 0.949 nan 8.310 nan 0.000 0.546 748 G N 0.288 109.085 108.800 -0.005 0.000 3.354 748 G HA2 0.566 4.526 3.960 -0.000 0.000 0.174 748 G HA3 0.566 4.526 3.960 -0.000 0.000 0.174 748 G C -0.002 174.890 174.900 -0.012 0.000 1.140 748 G CA -0.471 44.630 45.100 0.001 0.000 0.897 748 G HN 1.084 nan 8.290 nan 0.000 0.685 749 I N -0.635 119.914 120.570 -0.035 0.000 3.156 749 I HA 0.799 4.969 4.170 -0.000 0.000 0.306 749 I C 0.594 176.679 176.117 -0.054 0.000 1.048 749 I CA -0.475 60.803 61.300 -0.036 0.000 1.207 749 I CB 1.336 39.307 38.000 -0.049 0.000 1.456 749 I HN 0.617 nan 8.210 nan 0.000 0.616 750 G N 0.954 109.732 108.800 -0.036 0.000 3.222 750 G HA2 0.409 4.369 3.960 -0.000 0.000 0.263 750 G HA3 0.409 4.369 3.960 -0.000 0.000 0.263 750 G C 0.348 175.228 174.900 -0.033 0.000 1.312 750 G CA -0.884 44.201 45.100 -0.025 0.000 0.934 750 G HN 0.677 nan 8.290 nan 0.000 0.577 751 L N -0.162 121.045 121.223 -0.026 0.000 2.042 751 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 751 L C 2.765 179.611 176.870 -0.041 0.000 1.076 751 L CA 1.477 56.287 54.840 -0.050 0.000 0.749 751 L CB -0.462 41.568 42.059 -0.050 0.000 0.893 751 L HN 0.432 nan 8.230 nan 0.000 0.432 752 N N 0.414 119.101 118.700 -0.022 0.000 2.018 752 N HA -0.158 4.582 4.740 -0.000 0.000 0.196 752 N C 1.773 177.287 175.510 0.007 0.000 1.043 752 N CA 1.694 54.739 53.050 -0.008 0.000 0.856 752 N CB -0.864 37.622 38.487 -0.001 0.000 1.042 752 N HN 0.325 nan 8.380 nan 0.000 0.423 753 G N 1.311 110.115 108.800 0.007 0.000 2.511 753 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 753 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 753 G C 1.628 176.546 174.900 0.030 0.000 1.218 753 G CA 0.911 46.024 45.100 0.023 0.000 0.788 753 G HN 0.291 nan 8.290 nan 0.000 0.560 754 I N 0.674 121.244 120.570 -0.001 0.000 2.103 754 I HA -0.425 3.745 4.170 -0.000 0.000 0.241 754 I C 2.897 179.056 176.117 0.069 0.000 1.036 754 I CA 2.313 63.621 61.300 0.014 0.000 1.300 754 I CB -0.434 37.547 38.000 -0.032 0.000 1.010 754 I HN 0.384 nan 8.210 nan 0.000 0.406 755 Q N 1.095 120.917 119.800 0.036 0.000 2.047 755 Q HA -0.349 3.991 4.340 -0.000 0.000 0.211 755 Q C 2.157 178.247 176.000 0.149 0.000 1.005 755 Q CA 2.855 58.709 55.803 0.085 0.000 0.866 755 Q CB -0.220 28.535 28.738 0.029 0.000 0.938 755 Q HN 0.387 nan 8.270 nan 0.000 0.414 756 K N 0.018 120.480 120.400 0.104 0.000 1.977 756 K HA -0.238 4.082 4.320 -0.000 0.000 0.218 756 K C 2.050 178.728 176.600 0.131 0.000 1.051 756 K CA 2.177 58.526 56.287 0.104 0.000 0.953 756 K CB -0.149 32.396 32.500 0.076 0.000 0.727 756 K HN 0.155 nan 8.250 nan 0.000 0.445 757 K N 0.292 120.777 120.400 0.141 0.000 2.089 757 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 757 K C 2.115 178.868 176.600 0.255 0.000 1.048 757 K CA 1.791 58.195 56.287 0.195 0.000 0.926 757 K CB -0.362 32.259 32.500 0.202 0.000 0.714 757 K HN 0.050 nan 8.250 nan 0.000 0.448 758 V N 2.116 122.186 119.914 0.260 0.000 2.233 758 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 758 V C 2.354 178.564 176.094 0.193 0.000 1.050 758 V CA 1.771 64.248 62.300 0.295 0.000 1.010 758 V CB -0.459 31.561 31.823 0.329 0.000 0.637 758 V HN 0.289 nan 8.190 nan 0.000 0.444 759 L N -0.459 120.858 121.223 0.156 0.000 2.013 759 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 759 L C 2.620 179.555 176.870 0.108 0.000 1.073 759 L CA 1.936 56.823 54.840 0.078 0.000 0.753 759 L CB -0.749 41.348 42.059 0.064 0.000 0.890 759 L HN 0.451 nan 8.230 nan 0.000 0.432 760 E N -0.370 119.894 120.200 0.107 0.000 2.033 760 E HA -0.340 4.010 4.350 -0.000 0.000 0.199 760 E C 2.136 178.779 176.600 0.071 0.000 1.011 760 E CA 1.656 58.110 56.400 0.089 0.000 0.815 760 E CB -0.181 29.575 29.700 0.093 0.000 0.755 760 E HN 0.313 nan 8.360 nan 0.000 0.451 761 Q N 0.054 119.887 119.800 0.056 0.000 2.297 761 Q HA -0.207 4.133 4.340 -0.000 0.000 0.208 761 Q C 1.651 177.639 176.000 -0.020 0.000 0.981 761 Q CA 1.696 57.466 55.803 -0.055 0.000 0.876 761 Q CB -0.235 28.321 28.738 -0.303 0.000 0.921 761 Q HN 0.444 nan 8.270 nan 0.000 0.446 762 H N -1.266 117.773 119.070 -0.051 0.000 2.415 762 H HA 0.205 4.761 4.556 -0.000 0.000 0.297 762 H C 1.647 177.007 175.328 0.052 0.000 1.048 762 H CA 1.289 57.323 56.048 -0.023 0.000 1.365 762 H CB -0.054 29.654 29.762 -0.091 0.000 1.421 762 H HN 0.261 nan 8.280 nan 0.000 0.533 763 A N -0.054 122.833 122.820 0.112 0.000 1.842 763 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 763 A C 2.456 180.040 177.584 0.000 0.000 1.206 763 A CA 2.462 54.533 52.037 0.057 0.000 0.630 763 A CB -1.491 17.542 19.000 0.056 0.000 0.839 763 A HN 0.552 nan 8.150 nan 0.000 0.447 764 T N -0.462 114.085 114.554 -0.011 0.000 2.774 764 T HA -0.211 4.139 4.350 -0.000 0.000 0.264 764 T C 1.514 176.155 174.700 -0.098 0.000 1.037 764 T CA 2.038 64.111 62.100 -0.045 0.000 1.152 764 T CB -0.350 68.487 68.868 -0.051 0.000 0.842 764 T HN 0.736 nan 8.240 nan 0.000 0.483 765 A N -1.999 120.741 122.820 -0.132 0.000 2.430 765 A HA 0.492 4.812 4.320 -0.000 0.000 0.243 765 A C 0.967 178.267 177.584 -0.474 0.000 1.254 765 A CA -0.155 51.703 52.037 -0.297 0.000 0.914 765 A CB 0.318 19.084 19.000 -0.389 0.000 0.998 765 A HN 0.601 nan 8.150 nan 0.000 0.515 766 Y N -1.890 118.260 120.300 -0.250 0.000 2.449 766 Y HA 0.210 4.760 4.550 -0.000 0.000 0.283 766 Y C 1.205 177.023 175.900 -0.137 0.000 1.079 766 Y CA -0.018 57.946 58.100 -0.226 0.000 1.099 766 Y CB 0.520 38.763 38.460 -0.361 0.000 1.354 766 Y HN 0.427 nan 8.280 nan 0.000 0.569 767 N N 1.305 120.036 118.700 0.052 0.000 2.376 767 N HA 0.097 4.837 4.740 -0.000 0.000 0.249 767 N C -0.237 175.275 175.510 0.003 0.000 1.140 767 N CA 0.449 53.518 53.050 0.031 0.000 0.870 767 N CB 0.560 39.070 38.487 0.038 0.000 1.124 767 N HN 0.509 nan 8.380 nan 0.000 0.505 768 E N -0.176 120.013 120.200 -0.019 0.000 2.331 768 E HA 0.141 4.491 4.350 -0.000 0.000 0.263 768 E C -1.762 174.800 176.600 -0.064 0.000 1.224 768 E CA -0.505 55.874 56.400 -0.035 0.000 0.898 768 E CB 0.869 30.549 29.700 -0.034 0.000 1.591 768 E HN 0.200 nan 8.360 nan 0.000 0.463 769 E N 0.232 120.393 120.200 -0.064 0.000 2.266 769 E HA 0.614 4.964 4.350 -0.000 0.000 0.268 769 E C -1.568 174.982 176.600 -0.083 0.000 0.879 769 E CA -0.918 55.434 56.400 -0.079 0.000 0.762 769 E CB 3.080 32.746 29.700 -0.057 0.000 1.199 769 E HN 0.128 nan 8.360 nan 0.000 0.422 770 V N 3.326 123.179 119.914 -0.102 0.000 2.686 770 V HA 0.124 4.244 4.120 -0.000 0.000 0.306 770 V C 0.296 176.341 176.094 -0.082 0.000 1.065 770 V CA -0.395 61.849 62.300 -0.094 0.000 0.894 770 V CB 1.881 33.630 31.823 -0.122 0.000 1.004 770 V HN 0.673 nan 8.190 nan 0.000 0.424 771 V N 4.827 124.705 119.914 -0.059 0.000 2.283 771 V HA 0.473 4.593 4.120 -0.000 0.000 0.239 771 V C 0.824 176.891 176.094 -0.044 0.000 1.035 771 V CA 1.422 63.693 62.300 -0.048 0.000 1.018 771 V CB -0.380 31.422 31.823 -0.035 0.000 0.658 771 V HN 0.956 nan 8.190 nan 0.000 0.459 772 A N -0.772 122.026 122.820 -0.037 0.000 2.532 772 A HA 0.750 5.070 4.320 -0.000 0.000 0.290 772 A C -0.967 176.603 177.584 -0.022 0.000 1.143 772 A CA -0.758 51.262 52.037 -0.028 0.000 0.728 772 A CB 0.936 19.926 19.000 -0.017 0.000 1.317 772 A HN 0.282 nan 8.150 nan 0.000 0.414 773 L N 1.130 122.348 121.223 -0.009 0.000 2.426 773 L HA 0.300 4.640 4.340 -0.000 0.000 0.271 773 L C -1.928 174.952 176.870 0.017 0.000 1.169 773 L CA -1.496 53.347 54.840 0.005 0.000 0.836 773 L CB -0.026 42.049 42.059 0.027 0.000 1.112 773 L HN 0.459 nan 8.230 nan 0.000 0.465 774 P HA 0.011 nan 4.420 nan 0.000 0.285 774 P C 0.831 178.161 177.300 0.050 0.000 1.282 774 P CA -0.483 62.636 63.100 0.033 0.000 0.778 774 P CB 0.523 32.248 31.700 0.043 0.000 1.222 775 V N -1.470 118.475 119.914 0.051 0.000 2.273 775 V HA 0.222 4.342 4.120 -0.000 0.000 0.242 775 V C 1.056 177.211 176.094 0.102 0.000 1.035 775 V CA 1.740 64.076 62.300 0.060 0.000 1.013 775 V CB -1.663 30.182 31.823 0.038 0.000 0.652 775 V HN 1.002 nan 8.190 nan 0.000 0.452 776 G N -1.109 107.761 108.800 0.117 0.000 2.674 776 G HA2 0.385 4.344 3.960 -0.000 0.000 0.686 776 G HA3 0.385 4.344 3.960 -0.000 0.000 0.686 776 G C -0.009 175.007 174.900 0.194 0.000 1.195 776 G CA -0.359 44.846 45.100 0.176 0.000 0.776 776 G HN 1.044 nan 8.290 nan 0.000 0.654 777 G N -0.425 108.533 108.800 0.263 0.000 5.302 777 G HA2 0.534 4.494 3.960 -0.000 0.000 0.223 777 G HA3 0.534 4.494 3.960 -0.000 0.000 0.223 777 G C 0.555 175.736 174.900 0.469 0.000 0.832 777 G CA 0.984 46.257 45.100 0.290 0.000 0.714 777 G HN 0.972 nan 8.290 nan 0.000 0.444 778 F N 1.011 121.075 119.950 0.190 0.000 2.085 778 F HA 0.211 4.737 4.527 -0.000 0.000 0.284 778 F C 1.950 177.786 175.800 0.061 0.000 1.127 778 F CA 0.638 58.655 58.000 0.028 0.000 1.164 778 F CB -0.180 38.660 39.000 -0.266 0.000 1.035 778 F HN 0.159 nan 8.300 nan 0.000 0.481 779 Y N 0.829 121.233 120.300 0.173 0.000 2.751 779 Y HA 0.079 4.629 4.550 -0.000 0.000 0.310 779 Y C 0.504 176.452 175.900 0.080 0.000 1.176 779 Y CA 0.777 58.876 58.100 -0.002 0.000 1.360 779 Y CB -0.441 38.069 38.460 0.085 0.000 0.999 779 Y HN 0.053 nan 8.280 nan 0.000 0.532 780 R N -0.753 119.889 120.500 0.237 0.000 3.737 780 R HA 0.114 4.454 4.340 -0.000 0.000 0.240 780 R C -1.862 174.404 176.300 -0.057 0.000 1.044 780 R CA -0.719 55.428 56.100 0.079 0.000 1.164 780 R CB 0.034 30.403 30.300 0.116 0.000 1.244 780 R HN -0.078 nan 8.270 nan 0.000 0.537 781 F N 4.723 124.362 119.950 -0.518 0.000 2.543 781 F HA 0.379 4.906 4.527 -0.000 0.000 0.375 781 F C 0.087 175.803 175.800 -0.140 0.000 1.075 781 F CA 0.328 58.056 58.000 -0.453 0.000 1.225 781 F CB 0.429 39.204 39.000 -0.375 0.000 1.099 781 F HN 0.488 nan 8.300 nan 0.000 0.561 782 R N 3.730 123.919 120.500 -0.518 0.000 3.024 782 R HA 0.440 4.780 4.340 -0.000 0.000 0.224 782 R C -0.252 175.455 176.300 -0.988 0.000 1.490 782 R CA -1.095 54.702 56.100 -0.505 0.000 1.057 782 R CB 0.926 31.110 30.300 -0.193 0.000 1.723 782 R HN 0.410 nan 8.270 nan 0.000 0.520 783 K N 0.809 120.863 120.400 -0.577 0.000 3.000 783 K HA 0.206 4.526 4.320 -0.000 0.000 0.239 783 K C -0.275 176.180 176.600 -0.241 0.000 1.269 783 K CA -0.049 55.899 56.287 -0.564 0.000 1.220 783 K CB 1.115 33.440 32.500 -0.291 0.000 1.645 783 K HN 0.280 nan 8.250 nan 0.000 0.423 784 S N -0.726 114.853 115.700 -0.201 0.000 2.566 784 S HA 0.392 4.862 4.470 -0.000 0.000 0.277 784 S C 1.442 176.123 174.600 0.136 0.000 1.150 784 S CA -0.174 58.031 58.200 0.009 0.000 1.032 784 S CB 0.882 64.111 63.200 0.047 0.000 1.157 784 S HN 0.505 nan 8.310 nan 0.000 0.507 785 G N -0.180 108.704 108.800 0.140 0.000 2.603 785 G HA2 0.096 4.055 3.960 -0.000 0.000 0.214 785 G HA3 0.096 4.055 3.960 -0.000 0.000 0.214 785 G C 0.079 175.089 174.900 0.182 0.000 1.140 785 G CA 0.006 45.193 45.100 0.146 0.000 0.800 785 G HN 0.601 nan 8.290 nan 0.000 0.533 786 D N 1.357 121.898 120.400 0.235 0.000 2.338 786 D HA 0.265 4.905 4.640 -0.000 0.000 0.255 786 D C 0.610 177.139 176.300 0.382 0.000 1.237 786 D CA -0.140 54.019 54.000 0.264 0.000 0.883 786 D CB 0.958 41.956 40.800 0.329 0.000 1.087 786 D HN 0.290 nan 8.370 nan 0.000 0.485 787 R N 2.207 122.845 120.500 0.231 0.000 2.517 787 R HA 0.683 5.023 4.340 -0.000 0.000 0.250 787 R C -0.194 176.176 176.300 0.117 0.000 1.213 787 R CA -0.526 55.681 56.100 0.179 0.000 1.146 787 R CB 0.551 30.879 30.300 0.047 0.000 1.279 787 R HN 0.402 nan 8.270 nan 0.000 0.597 788 H N -3.174 115.739 119.070 -0.261 0.000 2.981 788 H HA 0.299 4.855 4.556 -0.000 0.000 0.327 788 H C 0.473 175.636 175.328 -0.276 0.000 1.342 788 H CA 0.037 55.946 56.048 -0.232 0.000 1.123 788 H CB 1.825 31.435 29.762 -0.254 0.000 1.851 788 H HN 0.688 nan 8.280 nan 0.000 0.531 789 G N -0.281 108.436 108.800 -0.138 0.000 2.404 789 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.213 789 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.213 789 G C -0.250 174.447 174.900 -0.339 0.000 1.189 789 G CA -0.202 44.697 45.100 -0.336 0.000 0.796 789 G HN 0.480 nan 8.290 nan 0.000 0.532 790 W N 2.246 123.538 121.300 -0.014 0.000 2.416 790 W HA 0.533 5.193 4.660 -0.000 0.000 0.318 790 W C -0.143 176.311 176.519 -0.109 0.000 1.150 790 W CA -0.774 56.565 57.345 -0.010 0.000 1.392 790 W CB 0.572 30.050 29.460 0.031 0.000 1.311 790 W HN 0.107 nan 8.180 nan 0.000 0.436 791 E N 1.216 121.452 120.200 0.059 0.000 2.312 791 E HA 0.296 4.646 4.350 -0.000 0.000 0.267 791 E C 1.045 177.739 176.600 0.157 0.000 0.894 791 E CA -0.787 55.520 56.400 -0.154 0.000 0.773 791 E CB 1.795 31.150 29.700 -0.575 0.000 1.241 791 E HN 0.491 nan 8.360 nan 0.000 0.432 792 G N 1.770 110.732 108.800 0.270 0.000 2.556 792 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.220 792 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.220 792 G C 1.226 176.238 174.900 0.187 0.000 1.156 792 G CA 1.334 46.561 45.100 0.211 0.000 0.766 792 G HN 0.631 nan 8.290 nan 0.000 0.583 793 G N 0.174 109.081 108.800 0.179 0.000 2.586 793 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 793 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 793 G C 1.797 176.818 174.900 0.201 0.000 1.216 793 G CA 1.465 46.663 45.100 0.164 0.000 0.786 793 G HN 0.373 nan 8.290 nan 0.000 0.583 794 V N 1.413 121.446 119.914 0.198 0.000 2.324 794 V HA -0.209 3.911 4.120 -0.000 0.000 0.250 794 V C 2.888 179.142 176.094 0.266 0.000 1.060 794 V CA 1.839 64.301 62.300 0.269 0.000 1.042 794 V CB -0.382 31.606 31.823 0.275 0.000 0.650 794 V HN 0.444 nan 8.190 nan 0.000 0.450 795 I N -0.829 119.913 120.570 0.286 0.000 2.113 795 I HA -0.354 3.816 4.170 -0.000 0.000 0.242 795 I C 2.436 178.636 176.117 0.138 0.000 1.064 795 I CA 2.304 63.723 61.300 0.198 0.000 1.320 795 I CB -0.883 37.218 38.000 0.168 0.000 1.028 795 I HN 0.423 nan 8.210 nan 0.000 0.406 796 H N 1.594 120.700 119.070 0.060 0.000 2.251 796 H HA -0.184 4.372 4.556 -0.000 0.000 0.294 796 H C 2.340 177.680 175.328 0.021 0.000 1.078 796 H CA 2.568 58.638 56.048 0.036 0.000 1.246 796 H CB -0.693 29.097 29.762 0.047 0.000 1.358 796 H HN 0.229 nan 8.280 nan 0.000 0.488 797 T N 1.154 115.747 114.554 0.066 0.000 2.778 797 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 797 T C 2.119 176.757 174.700 -0.102 0.000 1.050 797 T CA 1.303 63.387 62.100 -0.026 0.000 1.137 797 T CB -0.467 68.445 68.868 0.073 0.000 0.860 797 T HN 0.171 nan 8.240 nan 0.000 0.468 798 L N 0.946 122.062 121.223 -0.178 0.000 1.988 798 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 798 L C 2.571 179.383 176.870 -0.096 0.000 1.071 798 L CA 1.768 56.419 54.840 -0.315 0.000 0.744 798 L CB -0.914 40.867 42.059 -0.464 0.000 0.893 798 L HN 0.143 nan 8.230 nan 0.000 0.433 799 Q N -0.888 118.857 119.800 -0.091 0.000 2.133 799 Q HA -0.299 4.041 4.340 -0.000 0.000 0.208 799 Q C 2.292 178.249 176.000 -0.071 0.000 0.991 799 Q CA 2.361 58.124 55.803 -0.066 0.000 0.867 799 Q CB -0.206 28.497 28.738 -0.060 0.000 0.911 799 Q HN 0.622 nan 8.270 nan 0.000 0.417 800 Q N -0.491 119.216 119.800 -0.155 0.000 1.985 800 Q HA -0.252 4.088 4.340 -0.000 0.000 0.207 800 Q C 2.191 178.184 176.000 -0.013 0.000 0.996 800 Q CA 1.514 57.231 55.803 -0.143 0.000 0.851 800 Q CB -0.347 28.266 28.738 -0.209 0.000 0.921 800 Q HN 0.469 nan 8.270 nan 0.000 0.418 801 A N 0.139 122.977 122.820 0.030 0.000 1.903 801 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 801 A C 2.120 179.888 177.584 0.308 0.000 1.191 801 A CA 1.997 54.124 52.037 0.149 0.000 0.638 801 A CB -0.856 18.267 19.000 0.206 0.000 0.823 801 A HN 0.347 nan 8.150 nan 0.000 0.451 802 V N -1.313 118.767 119.914 0.276 0.000 3.541 802 V HA -0.008 4.112 4.120 -0.000 0.000 0.267 802 V C 2.082 178.245 176.094 0.114 0.000 1.213 802 V CA 2.116 64.576 62.300 0.267 0.000 1.149 802 V CB -0.298 31.633 31.823 0.180 0.000 0.822 802 V HN 0.621 nan 8.190 nan 0.000 0.462 803 T N 0.547 115.144 114.554 0.072 0.000 2.925 803 T HA 0.020 4.370 4.350 -0.000 0.000 0.245 803 T C 1.623 176.347 174.700 0.040 0.000 1.025 803 T CA 0.995 63.110 62.100 0.024 0.000 1.149 803 T CB -0.173 68.689 68.868 -0.010 0.000 0.866 803 T HN 0.419 nan 8.240 nan 0.000 0.437 804 N N 1.891 120.619 118.700 0.047 0.000 2.453 804 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 804 N C 0.471 176.037 175.510 0.093 0.000 1.041 804 N CA 0.820 53.900 53.050 0.050 0.000 0.900 804 N CB -0.317 38.190 38.487 0.034 0.000 0.961 804 N HN 0.441 nan 8.380 nan 0.000 0.443 805 D N 0.234 120.729 120.400 0.157 0.000 2.716 805 D HA -0.156 4.484 4.640 -0.000 0.000 0.239 805 D C -0.879 175.600 176.300 0.298 0.000 1.125 805 D CA 0.616 54.781 54.000 0.274 0.000 0.681 805 D CB -1.544 39.353 40.800 0.162 0.000 1.070 805 D HN 0.292 nan 8.370 nan 0.000 0.432 806 S N -0.090 115.720 115.700 0.184 0.000 2.451 806 S HA 0.442 4.912 4.470 -0.000 0.000 0.301 806 S C 0.833 175.308 174.600 -0.207 0.000 1.116 806 S CA -0.608 57.624 58.200 0.054 0.000 1.093 806 S CB 1.538 64.745 63.200 0.011 0.000 1.017 806 S HN 0.215 nan 8.310 nan 0.000 0.482 807 Y N 4.077 124.143 120.300 -0.390 0.000 2.314 807 Y HA 0.017 4.567 4.550 -0.000 0.000 0.293 807 Y C 2.207 177.910 175.900 -0.328 0.000 1.129 807 Y CA 1.931 59.582 58.100 -0.748 0.000 1.201 807 Y CB -0.960 37.308 38.460 -0.319 0.000 0.999 807 Y HN 0.771 nan 8.280 nan 0.000 0.541 808 T N -0.562 113.856 114.554 -0.226 0.000 2.788 808 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 808 T C 1.765 176.359 174.700 -0.176 0.000 1.044 808 T CA 2.041 64.010 62.100 -0.218 0.000 1.139 808 T CB -0.408 68.403 68.868 -0.095 0.000 0.867 808 T HN 0.380 nan 8.240 nan 0.000 0.454 809 T N 1.461 115.941 114.554 -0.122 0.000 2.857 809 T HA 0.031 4.380 4.350 -0.000 0.000 0.266 809 T C 1.496 176.165 174.700 -0.053 0.000 1.048 809 T CA 0.532 62.593 62.100 -0.065 0.000 1.139 809 T CB -0.413 68.439 68.868 -0.025 0.000 0.874 809 T HN 0.315 nan 8.240 nan 0.000 0.455 810 F N 2.120 121.917 119.950 -0.255 0.000 2.091 810 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 810 F C 2.083 177.843 175.800 -0.067 0.000 1.103 810 F CA 1.333 59.250 58.000 -0.138 0.000 1.228 810 F CB -0.173 38.581 39.000 -0.410 0.000 0.984 810 F HN -0.049 nan 8.300 nan 0.000 0.477 811 K N 0.250 120.526 120.400 -0.206 0.000 2.585 811 K HA -0.178 4.142 4.320 -0.000 0.000 0.194 811 K C 1.718 178.197 176.600 -0.201 0.000 1.037 811 K CA 1.142 57.268 56.287 -0.268 0.000 0.964 811 K CB -0.099 32.150 32.500 -0.419 0.000 0.787 811 K HN 0.481 nan 8.250 nan 0.000 0.488 812 K N -1.479 118.834 120.400 -0.144 0.000 2.399 812 K HA -0.060 4.260 4.320 -0.000 0.000 0.196 812 K C 1.824 178.369 176.600 -0.090 0.000 1.117 812 K CA -0.065 56.160 56.287 -0.103 0.000 0.965 812 K CB -0.240 32.225 32.500 -0.058 0.000 0.983 812 K HN 0.033 nan 8.250 nan 0.000 0.531 813 Y N 3.176 123.341 120.300 -0.224 0.000 2.089 813 Y HA -0.232 4.318 4.550 -0.000 0.000 0.282 813 Y C 2.411 178.157 175.900 -0.257 0.000 1.139 813 Y CA 2.340 60.305 58.100 -0.226 0.000 1.123 813 Y CB -0.816 37.454 38.460 -0.317 0.000 0.980 813 Y HN 0.223 nan 8.280 nan 0.000 0.493 814 S N -0.251 114.862 115.700 -0.978 0.000 2.387 814 S HA -0.299 4.171 4.470 -0.000 0.000 0.230 814 S C 1.928 176.228 174.600 -0.500 0.000 1.035 814 S CA 1.609 59.254 58.200 -0.926 0.000 1.014 814 S CB -0.764 62.116 63.200 -0.534 0.000 0.836 814 S HN 0.621 nan 8.310 nan 0.000 0.466 815 E N 1.449 121.453 120.200 -0.326 0.000 2.072 815 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 815 E C 2.306 178.793 176.600 -0.188 0.000 0.985 815 E CA 1.411 57.689 56.400 -0.204 0.000 0.801 815 E CB -0.578 29.037 29.700 -0.142 0.000 0.750 815 E HN 0.725 nan 8.360 nan 0.000 0.452 816 Q N -0.672 119.018 119.800 -0.183 0.000 2.152 816 Q HA -0.144 4.195 4.340 -0.000 0.000 0.206 816 Q C 2.114 178.012 176.000 -0.170 0.000 0.985 816 Q CA 1.627 57.357 55.803 -0.122 0.000 0.863 816 Q CB 0.020 28.728 28.738 -0.050 0.000 0.904 816 Q HN 0.212 nan 8.270 nan 0.000 0.422 817 V N 0.826 120.563 119.914 -0.295 0.000 2.535 817 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 817 V C 1.337 177.284 176.094 -0.246 0.000 1.045 817 V CA 1.302 63.414 62.300 -0.314 0.000 1.058 817 V CB -0.170 31.343 31.823 -0.516 0.000 0.689 817 V HN 0.362 nan 8.190 nan 0.000 0.461 818 N N -0.154 118.405 118.700 -0.234 0.000 2.446 818 N HA -0.021 4.719 4.740 -0.000 0.000 0.179 818 N C 1.394 176.832 175.510 -0.120 0.000 1.054 818 N CA 0.523 53.473 53.050 -0.167 0.000 0.905 818 N CB -0.030 38.365 38.487 -0.152 0.000 0.973 818 N HN 0.243 nan 8.380 nan 0.000 0.448 819 K N 0.967 121.299 120.400 -0.114 0.000 2.417 819 K HA 0.149 4.469 4.320 -0.000 0.000 0.196 819 K C 0.561 177.120 176.600 -0.069 0.000 1.023 819 K CA 0.025 56.265 56.287 -0.080 0.000 1.122 819 K CB 0.422 32.882 32.500 -0.068 0.000 0.850 819 K HN 0.308 nan 8.250 nan 0.000 0.521 820 R N 0.923 121.374 120.500 -0.082 0.000 2.517 820 R HA 0.311 4.651 4.340 -0.000 0.000 0.250 820 R C -2.107 174.160 176.300 -0.055 0.000 1.213 820 R CA -1.684 54.377 56.100 -0.064 0.000 1.146 820 R CB -0.944 29.311 30.300 -0.075 0.000 1.279 820 R HN -0.132 nan 8.270 nan 0.000 0.597 821 P HA 0.182 nan 4.420 nan 0.000 0.272 821 P C -2.487 174.782 177.300 -0.051 0.000 1.240 821 P CA -1.320 61.758 63.100 -0.037 0.000 0.791 821 P CB -0.327 31.359 31.700 -0.023 0.000 0.978 822 P HA 0.250 nan 4.420 nan 0.000 0.271 822 P C -0.023 177.235 177.300 -0.069 0.000 1.216 822 P CA 0.204 63.267 63.100 -0.062 0.000 0.776 822 P CB 0.397 32.068 31.700 -0.049 0.000 0.881 823 M N 0.475 120.020 119.600 -0.091 0.000 2.231 823 M HA 0.189 4.669 4.480 -0.000 0.000 0.347 823 M C -0.440 175.791 176.300 -0.115 0.000 0.901 823 M CA 0.461 55.701 55.300 -0.100 0.000 1.064 823 M CB 0.756 33.284 32.600 -0.120 0.000 1.861 823 M HN 0.245 nan 8.290 nan 0.000 0.638 824 Q N -0.504 119.221 119.800 -0.125 0.000 2.391 824 Q HA 0.397 4.737 4.340 -0.000 0.000 0.279 824 Q C 0.130 176.033 176.000 -0.162 0.000 1.028 824 Q CA -0.249 55.458 55.803 -0.160 0.000 0.836 824 Q CB 1.840 30.470 28.738 -0.180 0.000 1.414 824 Q HN 0.241 nan 8.270 nan 0.000 0.397 825 L N 1.452 122.562 121.223 -0.188 0.000 2.127 825 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 825 L C 1.850 178.620 176.870 -0.167 0.000 1.089 825 L CA 1.767 56.510 54.840 -0.162 0.000 0.757 825 L CB -0.455 41.507 42.059 -0.162 0.000 0.899 825 L HN 0.598 nan 8.230 nan 0.000 0.434 826 R N -0.316 120.044 120.500 -0.232 0.000 2.152 826 R HA -0.139 4.201 4.340 -0.000 0.000 0.232 826 R C 1.425 177.664 176.300 -0.102 0.000 1.117 826 R CA 1.383 57.379 56.100 -0.174 0.000 0.981 826 R CB -0.787 29.398 30.300 -0.191 0.000 0.870 826 R HN 0.264 nan 8.270 nan 0.000 0.451 827 D N 1.499 121.832 120.400 -0.111 0.000 2.221 827 D HA -0.094 4.546 4.640 -0.000 0.000 0.204 827 D C 1.545 177.810 176.300 -0.058 0.000 0.982 827 D CA 0.969 54.920 54.000 -0.082 0.000 0.857 827 D CB -0.026 40.719 40.800 -0.091 0.000 0.934 827 D HN 0.295 nan 8.370 nan 0.000 0.475 828 L N 0.128 121.316 121.223 -0.058 0.000 2.645 828 L HA 0.132 4.472 4.340 -0.000 0.000 0.235 828 L C 0.171 177.031 176.870 -0.016 0.000 1.150 828 L CA 0.081 54.901 54.840 -0.034 0.000 0.911 828 L CB -0.209 41.830 42.059 -0.033 0.000 1.077 828 L HN -0.131 nan 8.230 nan 0.000 0.438 829 L N -0.368 120.846 121.223 -0.015 0.000 2.356 829 L HA 0.430 4.769 4.340 -0.000 0.000 0.277 829 L C 0.064 176.954 176.870 0.034 0.000 0.996 829 L CA -0.399 54.448 54.840 0.012 0.000 0.822 829 L CB 2.193 44.252 42.059 -0.001 0.000 1.256 829 L HN 0.008 nan 8.230 nan 0.000 0.413 830 E N 3.620 123.863 120.200 0.073 0.000 2.322 830 E HA 0.555 4.905 4.350 -0.000 0.000 0.257 830 E C -1.292 175.394 176.600 0.144 0.000 1.155 830 E CA -0.677 55.773 56.400 0.084 0.000 0.936 830 E CB 1.282 31.027 29.700 0.074 0.000 1.130 830 E HN 0.505 nan 8.360 nan 0.000 0.465 831 L N 2.971 124.273 121.223 0.131 0.000 2.427 831 L HA 0.497 4.837 4.340 -0.000 0.000 0.264 831 L C -0.029 176.940 176.870 0.166 0.000 0.989 831 L CA -0.496 54.442 54.840 0.165 0.000 0.865 831 L CB 1.378 43.501 42.059 0.106 0.000 1.209 831 L HN 0.507 nan 8.230 nan 0.000 0.430 832 R N 1.316 121.968 120.500 0.253 0.000 2.828 832 R HA 0.782 5.122 4.340 -0.000 0.000 0.264 832 R C -0.433 176.008 176.300 0.234 0.000 1.022 832 R CA -0.228 55.938 56.100 0.109 0.000 1.021 832 R CB 2.333 32.526 30.300 -0.180 0.000 1.163 832 R HN 0.655 nan 8.270 nan 0.000 0.494 833 S N -1.055 114.736 115.700 0.152 0.000 2.638 833 S HA 0.228 4.698 4.470 -0.000 0.000 0.274 833 S C -0.066 174.586 174.600 0.088 0.000 1.157 833 S CA -0.318 57.990 58.200 0.180 0.000 0.826 833 S CB 1.678 65.004 63.200 0.211 0.000 1.139 833 S HN 0.696 nan 8.310 nan 0.000 0.474 834 T N -0.587 114.006 114.554 0.066 0.000 3.134 834 T HA 0.404 4.754 4.350 -0.000 0.000 0.260 834 T C 0.133 174.814 174.700 -0.031 0.000 1.027 834 T CA -0.369 61.742 62.100 0.019 0.000 0.913 834 T CB -0.332 68.556 68.868 0.032 0.000 1.046 834 T HN 0.534 nan 8.240 nan 0.000 0.553 835 K N 1.129 121.476 120.400 -0.087 0.000 2.106 835 K HA 0.782 5.102 4.320 -0.000 0.000 0.246 835 K C -0.274 176.265 176.600 -0.101 0.000 0.987 835 K CA -0.830 55.370 56.287 -0.145 0.000 0.904 835 K CB 1.604 33.911 32.500 -0.321 0.000 1.071 835 K HN 0.231 nan 8.250 nan 0.000 0.453 836 A N 1.905 124.672 122.820 -0.089 0.000 2.282 836 A HA 0.511 4.831 4.320 -0.000 0.000 0.319 836 A C -2.372 175.172 177.584 -0.067 0.000 1.121 836 A CA -1.631 50.371 52.037 -0.058 0.000 0.836 836 A CB 0.045 19.020 19.000 -0.042 0.000 1.146 836 A HN 0.410 nan 8.150 nan 0.000 0.494 837 P HA 0.297 nan 4.420 nan 0.000 0.268 837 P C -0.823 176.461 177.300 -0.026 0.000 1.205 837 P CA 0.037 63.121 63.100 -0.027 0.000 0.771 837 P CB 0.672 32.368 31.700 -0.008 0.000 0.858 838 V N 4.787 124.689 119.914 -0.019 0.000 2.769 838 V HA 0.406 4.526 4.120 -0.000 0.000 0.312 838 V C -2.067 174.030 176.094 0.005 0.000 1.058 838 V CA -2.026 60.267 62.300 -0.011 0.000 0.952 838 V CB 1.674 33.491 31.823 -0.010 0.000 1.019 838 V HN 0.590 nan 8.190 nan 0.000 0.445 839 P HA 0.088 nan 4.420 nan 0.000 0.267 839 P C 1.064 178.374 177.300 0.017 0.000 1.209 839 P CA 0.248 63.355 63.100 0.011 0.000 0.763 839 P CB 1.156 32.860 31.700 0.007 0.000 0.816 840 V N 3.821 123.749 119.914 0.023 0.000 2.277 840 V HA -0.351 3.769 4.120 -0.000 0.000 0.255 840 V C 1.776 177.879 176.094 0.015 0.000 1.074 840 V CA 2.698 65.013 62.300 0.024 0.000 1.058 840 V CB -1.347 30.494 31.823 0.029 0.000 0.656 840 V HN 0.540 nan 8.190 nan 0.000 0.449 841 D N -0.353 120.053 120.400 0.011 0.000 2.191 841 D HA -0.247 4.393 4.640 -0.000 0.000 0.195 841 D C 2.029 178.332 176.300 0.005 0.000 1.003 841 D CA 1.677 55.680 54.000 0.005 0.000 0.867 841 D CB -0.329 40.474 40.800 0.005 0.000 0.926 841 D HN 0.587 nan 8.370 nan 0.000 0.450 842 E N 0.094 120.299 120.200 0.009 0.000 2.150 842 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 842 E C 0.434 177.042 176.600 0.014 0.000 0.985 842 E CA 0.146 56.552 56.400 0.010 0.000 0.814 842 E CB 0.240 29.946 29.700 0.011 0.000 0.752 842 E HN 0.069 nan 8.360 nan 0.000 0.466 843 V N 2.031 121.957 119.914 0.019 0.000 3.178 843 V HA -0.116 4.004 4.120 -0.000 0.000 0.306 843 V C 0.844 176.943 176.094 0.008 0.000 1.107 843 V CA 0.156 62.470 62.300 0.023 0.000 1.195 843 V CB 0.730 32.568 31.823 0.025 0.000 0.993 843 V HN 0.241 nan 8.190 nan 0.000 0.493 844 E N 1.246 121.451 120.200 0.008 0.000 2.485 844 E HA 0.028 4.378 4.350 -0.000 0.000 0.266 844 E C 0.478 177.064 176.600 -0.024 0.000 1.137 844 E CA 0.330 56.724 56.400 -0.008 0.000 1.010 844 E CB 0.443 30.136 29.700 -0.013 0.000 0.986 844 E HN 0.915 nan 8.360 nan 0.000 0.460 845 S N 2.266 117.946 115.700 -0.034 0.000 2.632 845 S HA 0.146 4.616 4.470 -0.000 0.000 0.267 845 S C 1.305 175.863 174.600 -0.070 0.000 1.276 845 S CA -0.631 57.542 58.200 -0.046 0.000 0.998 845 S CB 0.698 63.871 63.200 -0.043 0.000 0.953 845 S HN 0.578 nan 8.310 nan 0.000 0.547 846 I N 1.120 121.644 120.570 -0.076 0.000 2.252 846 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 846 I C 2.573 178.621 176.117 -0.115 0.000 1.102 846 I CA 1.279 62.517 61.300 -0.103 0.000 1.385 846 I CB -0.978 36.967 38.000 -0.091 0.000 1.064 846 I HN 0.741 nan 8.210 nan 0.000 0.414 847 T N 1.145 115.648 114.554 -0.086 0.000 2.699 847 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 847 T C 2.038 176.681 174.700 -0.095 0.000 1.036 847 T CA 1.604 63.656 62.100 -0.080 0.000 1.147 847 T CB -0.423 68.409 68.868 -0.060 0.000 0.862 847 T HN 0.503 nan 8.240 nan 0.000 0.446 848 A N 1.668 124.434 122.820 -0.090 0.000 1.834 848 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 848 A C 2.327 179.821 177.584 -0.149 0.000 1.203 848 A CA 1.559 53.541 52.037 -0.091 0.000 0.621 848 A CB -0.944 18.013 19.000 -0.072 0.000 0.841 848 A HN 0.493 nan 8.150 nan 0.000 0.446 849 I N -0.713 119.744 120.570 -0.188 0.000 2.151 849 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 849 I C 2.746 178.501 176.117 -0.603 0.000 1.080 849 I CA 1.732 62.835 61.300 -0.329 0.000 1.339 849 I CB -0.688 37.125 38.000 -0.310 0.000 1.039 849 I HN 0.355 nan 8.210 nan 0.000 0.409 850 R N 1.170 121.366 120.500 -0.506 0.000 2.117 850 R HA -0.209 4.131 4.340 -0.000 0.000 0.243 850 R C 2.189 178.287 176.300 -0.336 0.000 1.143 850 R CA 1.364 57.151 56.100 -0.522 0.000 0.968 850 R CB -0.502 29.733 30.300 -0.108 0.000 0.863 850 R HN 0.384 nan 8.270 nan 0.000 0.444 851 K N 0.439 120.722 120.400 -0.195 0.000 2.286 851 K HA -0.136 4.184 4.320 -0.000 0.000 0.203 851 K C 1.882 178.462 176.600 -0.033 0.000 1.045 851 K CA 1.180 57.424 56.287 -0.072 0.000 0.935 851 K CB -0.058 32.408 32.500 -0.057 0.000 0.737 851 K HN 0.140 nan 8.250 nan 0.000 0.460 852 R N -0.345 120.096 120.500 -0.098 0.000 2.323 852 R HA 0.042 4.382 4.340 -0.000 0.000 0.198 852 R C -0.219 176.317 176.300 0.394 0.000 0.988 852 R CA 0.057 56.231 56.100 0.123 0.000 1.041 852 R CB 0.155 30.620 30.300 0.276 0.000 0.926 852 R HN -0.028 nan 8.270 nan 0.000 0.476 853 F N 1.326 121.332 119.950 0.093 0.000 2.379 853 F HA 0.437 4.964 4.527 -0.000 0.000 0.332 853 F C 0.584 176.451 175.800 0.111 0.000 1.096 853 F CA -2.339 55.672 58.000 0.018 0.000 1.105 853 F CB 0.767 39.626 39.000 -0.234 0.000 1.189 853 F HN -0.154 nan 8.300 nan 0.000 0.515 854 I N -1.684 119.042 120.570 0.260 0.000 2.994 854 I HA 0.568 4.738 4.170 -0.000 0.000 0.306 854 I C -0.839 175.430 176.117 0.254 0.000 1.195 854 I CA -0.629 60.825 61.300 0.257 0.000 1.001 854 I CB 2.424 40.499 38.000 0.124 0.000 1.244 854 I HN 0.289 nan 8.210 nan 0.000 0.437 855 T N 4.940 119.642 114.554 0.247 0.000 2.744 855 T HA 0.492 4.842 4.350 -0.000 0.000 0.291 855 T C -2.330 172.423 174.700 0.088 0.000 0.957 855 T CA -1.060 61.156 62.100 0.195 0.000 1.002 855 T CB 1.050 69.989 68.868 0.118 0.000 0.919 855 T HN 0.478 nan 8.240 nan 0.000 0.468 856 P HA 0.172 nan 4.420 nan 0.000 0.276 856 P C -0.068 177.252 177.300 0.032 0.000 1.264 856 P CA -0.249 62.876 63.100 0.042 0.000 0.815 856 P CB 0.365 32.091 31.700 0.043 0.000 1.121 857 G N 0.117 108.940 108.800 0.038 0.000 2.428 857 G HA2 0.558 4.518 3.960 -0.000 0.000 0.320 857 G HA3 0.558 4.518 3.960 -0.000 0.000 0.320 857 G C -0.745 174.196 174.900 0.068 0.000 1.098 857 G CA -0.419 44.712 45.100 0.052 0.000 0.984 857 G HN 0.203 nan 8.290 nan 0.000 0.444 858 M N 2.500 122.145 119.600 0.075 0.000 2.181 858 M HA 0.292 4.772 4.480 -0.000 0.000 0.323 858 M C 0.550 176.964 176.300 0.189 0.000 1.004 858 M CA -0.694 54.666 55.300 0.100 0.000 0.941 858 M CB 2.290 34.934 32.600 0.074 0.000 1.579 858 M HN 0.528 nan 8.290 nan 0.000 0.427 859 S N 3.497 119.290 115.700 0.154 0.000 2.562 859 S HA 0.303 4.773 4.470 -0.000 0.000 0.281 859 S C -0.078 174.575 174.600 0.090 0.000 1.333 859 S CA -0.673 57.618 58.200 0.151 0.000 1.052 859 S CB 0.591 63.843 63.200 0.086 0.000 0.884 859 S HN 0.759 nan 8.310 nan 0.000 0.506 860 M N 5.301 124.840 119.600 -0.102 0.000 2.292 860 M HA 0.494 4.974 4.480 -0.000 0.000 0.342 860 M C 0.811 177.019 176.300 -0.154 0.000 1.538 860 M CA 1.467 56.562 55.300 -0.341 0.000 1.163 860 M CB -0.700 31.549 32.600 -0.583 0.000 1.823 860 M HN 1.101 nan 8.290 nan 0.000 0.462 861 G N 2.983 111.724 108.800 -0.098 0.000 3.432 861 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.188 861 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.188 861 G C 0.817 175.694 174.900 -0.038 0.000 2.301 861 G CA 0.083 45.134 45.100 -0.080 0.000 1.337 861 G HN 0.971 nan 8.290 nan 0.000 0.406 862 A N 0.427 123.242 122.820 -0.009 0.000 1.917 862 A HA 0.358 4.678 4.320 -0.000 0.000 0.219 862 A C 1.361 178.960 177.584 0.025 0.000 1.182 862 A CA 2.363 54.411 52.037 0.019 0.000 0.633 862 A CB -0.862 18.162 19.000 0.040 0.000 0.819 862 A HN 1.591 nan 8.150 nan 0.000 0.448 863 L N -2.253 118.988 121.223 0.030 0.000 2.325 863 L HA 0.667 5.007 4.340 -0.000 0.000 0.278 863 L C 0.395 177.249 176.870 -0.027 0.000 1.023 863 L CA -0.718 54.138 54.840 0.027 0.000 0.811 863 L CB 0.855 42.950 42.059 0.059 0.000 1.249 863 L HN 0.188 nan 8.230 nan 0.000 0.431 864 S N 1.354 117.018 115.700 -0.061 0.000 2.558 864 S HA 0.209 4.679 4.470 -0.000 0.000 0.287 864 S C -1.602 172.922 174.600 -0.127 0.000 1.321 864 S CA -0.219 57.912 58.200 -0.114 0.000 1.048 864 S CB 0.262 63.337 63.200 -0.207 0.000 0.844 864 S HN 0.722 nan 8.310 nan 0.000 0.512 865 P HA -0.049 nan 4.420 nan 0.000 0.218 865 P C 0.983 178.235 177.300 -0.081 0.000 1.148 865 P CA 1.206 64.245 63.100 -0.101 0.000 0.822 865 P CB 0.048 31.683 31.700 -0.109 0.000 0.784 866 E N -0.259 119.811 120.200 -0.217 0.000 2.028 866 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 866 E C 2.176 178.513 176.600 -0.438 0.000 0.984 866 E CA 1.410 57.624 56.400 -0.309 0.000 0.800 866 E CB -1.340 28.107 29.700 -0.422 0.000 0.758 866 E HN 0.082 nan 8.360 nan 0.000 0.448 867 A N 1.316 123.717 122.820 -0.699 0.000 1.892 867 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 867 A C 2.117 179.677 177.584 -0.039 0.000 1.188 867 A CA 1.962 53.766 52.037 -0.388 0.000 0.631 867 A CB -0.906 17.957 19.000 -0.228 0.000 0.822 867 A HN 0.368 nan 8.150 nan 0.000 0.447 868 H N -0.735 118.281 119.070 -0.090 0.000 2.446 868 H HA -0.161 4.395 4.556 -0.000 0.000 0.296 868 H C 2.484 177.833 175.328 0.035 0.000 1.047 868 H CA 2.117 58.160 56.048 -0.009 0.000 1.156 868 H CB -0.797 28.967 29.762 0.004 0.000 1.405 868 H HN 0.411 nan 8.280 nan 0.000 0.588 869 G N -0.447 108.559 108.800 0.343 0.000 2.681 869 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.224 869 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.224 869 G C 1.715 176.620 174.900 0.009 0.000 1.100 869 G CA 1.886 47.206 45.100 0.366 0.000 0.743 869 G HN 0.479 nan 8.290 nan 0.000 0.612 870 T N 1.151 115.725 114.554 0.033 0.000 2.635 870 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 870 T C 2.371 176.978 174.700 -0.154 0.000 1.040 870 T CA 1.231 63.298 62.100 -0.054 0.000 1.156 870 T CB -0.288 68.650 68.868 0.118 0.000 0.863 870 T HN 0.227 nan 8.240 nan 0.000 0.430 871 L N 1.192 122.344 121.223 -0.117 0.000 1.956 871 L HA -0.214 4.126 4.340 -0.000 0.000 0.216 871 L C 2.611 179.365 176.870 -0.193 0.000 1.073 871 L CA 1.459 56.203 54.840 -0.160 0.000 0.762 871 L CB -0.790 41.175 42.059 -0.157 0.000 0.889 871 L HN 0.241 nan 8.230 nan 0.000 0.433 872 N N -0.404 118.190 118.700 -0.176 0.000 2.247 872 N HA -0.168 4.572 4.740 -0.000 0.000 0.189 872 N C 1.668 177.043 175.510 -0.225 0.000 1.009 872 N CA 1.322 54.282 53.050 -0.149 0.000 0.872 872 N CB -0.538 37.920 38.487 -0.049 0.000 0.980 872 N HN 0.211 nan 8.380 nan 0.000 0.436 873 V N 0.889 120.593 119.914 -0.350 0.000 2.346 873 V HA -0.049 4.071 4.120 -0.000 0.000 0.244 873 V C 2.409 178.323 176.094 -0.299 0.000 1.037 873 V CA 1.474 63.511 62.300 -0.437 0.000 1.029 873 V CB -0.939 30.459 31.823 -0.708 0.000 0.663 873 V HN 0.274 nan 8.190 nan 0.000 0.454 874 A N 0.244 122.898 122.820 -0.277 0.000 1.865 874 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 874 A C 2.242 179.675 177.584 -0.250 0.000 1.191 874 A CA 2.282 54.158 52.037 -0.267 0.000 0.623 874 A CB -0.563 18.253 19.000 -0.307 0.000 0.826 874 A HN 0.390 nan 8.150 nan 0.000 0.444 875 M N 0.431 119.889 119.600 -0.236 0.000 2.065 875 M HA -0.142 4.338 4.480 -0.000 0.000 0.259 875 M C 1.645 177.874 176.300 -0.118 0.000 1.069 875 M CA 1.380 56.582 55.300 -0.163 0.000 1.110 875 M CB -2.064 30.480 32.600 -0.094 0.000 1.328 875 M HN 0.398 nan 8.290 nan 0.000 0.405 876 N N 0.134 118.761 118.700 -0.122 0.000 2.334 876 N HA -0.176 4.564 4.740 -0.000 0.000 0.187 876 N C 1.766 177.214 175.510 -0.103 0.000 1.016 876 N CA 0.867 53.859 53.050 -0.097 0.000 0.879 876 N CB -0.420 38.009 38.487 -0.097 0.000 0.965 876 N HN 0.442 nan 8.380 nan 0.000 0.438 877 R N 1.027 121.447 120.500 -0.133 0.000 2.153 877 R HA 0.067 4.407 4.340 -0.000 0.000 0.218 877 R C 1.465 177.706 176.300 -0.098 0.000 1.072 877 R CA 0.603 56.630 56.100 -0.121 0.000 0.990 877 R CB 0.117 30.329 30.300 -0.147 0.000 0.889 877 R HN 0.286 nan 8.270 nan 0.000 0.452 878 I N -3.629 116.883 120.570 -0.097 0.000 3.877 878 I HA 0.450 4.620 4.170 -0.000 0.000 0.332 878 I C 0.435 176.524 176.117 -0.047 0.000 1.525 878 I CA 0.139 61.396 61.300 -0.073 0.000 1.146 878 I CB 0.823 38.779 38.000 -0.073 0.000 1.137 878 I HN 0.164 nan 8.210 nan 0.000 0.424 879 G N 1.502 110.273 108.800 -0.048 0.000 2.179 879 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.257 879 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.257 879 G C 0.351 175.242 174.900 -0.015 0.000 1.010 879 G CA 0.413 45.493 45.100 -0.034 0.000 0.736 879 G HN 0.889 nan 8.290 nan 0.000 0.513 880 A N -0.832 121.988 122.820 0.001 0.000 3.847 880 A HA 0.952 5.272 4.320 -0.000 0.000 0.152 880 A C 0.489 178.093 177.584 0.032 0.000 1.527 880 A CA 0.225 52.288 52.037 0.043 0.000 1.022 880 A CB 0.887 19.966 19.000 0.131 0.000 1.715 880 A HN 0.449 nan 8.150 nan 0.000 0.650 881 K N -0.634 119.807 120.400 0.068 0.000 2.477 881 K HA 0.585 4.905 4.320 -0.000 0.000 0.255 881 K C -1.370 175.253 176.600 0.040 0.000 0.952 881 K CA -0.447 55.861 56.287 0.034 0.000 0.826 881 K CB 2.289 34.803 32.500 0.023 0.000 1.331 881 K HN 0.790 nan 8.250 nan 0.000 0.437 882 S N -0.333 115.369 115.700 0.003 0.000 2.599 882 S HA 0.418 4.888 4.470 -0.000 0.000 0.287 882 S C -1.371 173.222 174.600 -0.012 0.000 1.105 882 S CA -0.884 57.310 58.200 -0.010 0.000 0.899 882 S CB 2.019 65.184 63.200 -0.059 0.000 1.100 882 S HN 0.560 nan 8.310 nan 0.000 0.482 883 D N 1.014 121.405 120.400 -0.014 0.000 2.453 883 D HA 0.312 4.952 4.640 -0.000 0.000 0.238 883 D C 1.434 177.757 176.300 0.037 0.000 1.088 883 D CA -0.151 53.856 54.000 0.012 0.000 0.854 883 D CB 1.722 42.535 40.800 0.022 0.000 1.076 883 D HN 0.567 nan 8.370 nan 0.000 0.533 884 S N 3.355 119.109 115.700 0.089 0.000 2.461 884 S HA -0.191 4.279 4.470 -0.000 0.000 0.266 884 S C 1.239 176.004 174.600 0.275 0.000 1.138 884 S CA 1.890 60.225 58.200 0.226 0.000 1.146 884 S CB -0.958 62.415 63.200 0.288 0.000 1.042 884 S HN 1.332 nan 8.310 nan 0.000 0.448 885 G N 0.337 109.250 108.800 0.189 0.000 2.746 885 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.685 885 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.685 885 G C -0.131 174.875 174.900 0.176 0.000 1.350 885 G CA 0.254 45.458 45.100 0.173 0.000 0.837 885 G HN 0.625 nan 8.290 nan 0.000 0.564 886 E N -0.015 120.265 120.200 0.134 0.000 2.501 886 E HA 0.057 4.407 4.350 -0.000 0.000 0.203 886 E C 2.076 178.776 176.600 0.166 0.000 1.072 886 E CA 2.144 58.616 56.400 0.121 0.000 0.885 886 E CB -0.653 29.107 29.700 0.100 0.000 0.813 886 E HN 0.902 nan 8.360 nan 0.000 0.556 887 G N -0.297 108.592 108.800 0.148 0.000 2.551 887 G HA2 0.346 4.306 3.960 -0.000 0.000 0.214 887 G HA3 0.346 4.306 3.960 -0.000 0.000 0.214 887 G C 0.675 175.597 174.900 0.037 0.000 1.250 887 G CA 0.276 45.430 45.100 0.089 0.000 0.825 887 G HN 0.549 nan 8.290 nan 0.000 0.549 888 G N -1.781 107.028 108.800 0.016 0.000 2.337 888 G HA2 0.432 4.392 3.960 -0.000 0.000 0.298 888 G HA3 0.432 4.392 3.960 -0.000 0.000 0.298 888 G C -1.993 172.938 174.900 0.052 0.000 1.335 888 G CA -0.547 44.494 45.100 -0.099 0.000 0.875 888 G HN 0.333 nan 8.290 nan 0.000 0.579 889 E N -0.274 119.991 120.200 0.109 0.000 2.321 889 E HA 0.321 4.671 4.350 -0.000 0.000 0.278 889 E C -1.681 174.919 176.600 0.000 0.000 0.902 889 E CA -0.775 55.714 56.400 0.148 0.000 0.758 889 E CB 2.650 32.560 29.700 0.350 0.000 1.213 889 E HN 0.552 nan 8.360 nan 0.000 0.426 890 D N 4.315 124.639 120.400 -0.127 0.000 2.371 890 D HA 0.076 4.716 4.640 -0.000 0.000 0.256 890 D C -1.711 174.263 176.300 -0.543 0.000 1.193 890 D CA -1.730 52.130 54.000 -0.234 0.000 0.881 890 D CB 1.289 41.972 40.800 -0.196 0.000 1.143 890 D HN 0.055 nan 8.370 nan 0.000 0.473 891 P HA -0.172 nan 4.420 nan 0.000 0.217 891 P C 1.142 177.973 177.300 -0.781 0.000 1.148 891 P CA 1.764 64.229 63.100 -1.059 0.000 0.828 891 P CB -0.011 31.595 31.700 -0.157 0.000 0.783 892 A N 0.583 123.172 122.820 -0.384 0.000 1.915 892 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 892 A C 2.183 179.636 177.584 -0.217 0.000 1.198 892 A CA 2.131 54.029 52.037 -0.231 0.000 0.647 892 A CB -1.439 17.434 19.000 -0.211 0.000 0.825 892 A HN 0.151 nan 8.150 nan 0.000 0.456 893 R N -1.273 119.048 120.500 -0.298 0.000 2.341 893 R HA -0.082 4.258 4.340 -0.000 0.000 0.213 893 R C 0.827 177.157 176.300 0.050 0.000 1.082 893 R CA 0.805 56.847 56.100 -0.097 0.000 1.017 893 R CB -0.410 29.887 30.300 -0.005 0.000 0.860 893 R HN 0.560 nan 8.270 nan 0.000 0.473 894 F N 0.650 120.646 119.950 0.075 0.000 2.722 894 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 894 F C 0.642 176.475 175.800 0.054 0.000 1.175 894 F CA 0.487 58.525 58.000 0.063 0.000 1.462 894 F CB -0.378 38.654 39.000 0.052 0.000 1.111 894 F HN -0.175 nan 8.300 nan 0.000 0.592 895 R N 0.404 121.021 120.500 0.196 0.000 2.628 895 R HA 0.339 4.679 4.340 -0.000 0.000 0.288 895 R C -2.381 174.004 176.300 0.141 0.000 0.980 895 R CA -1.853 54.332 56.100 0.141 0.000 0.891 895 R CB 1.762 32.121 30.300 0.099 0.000 1.188 895 R HN -0.163 nan 8.270 nan 0.000 0.450 896 P HA -0.037 nan 4.420 nan 0.000 0.270 896 P C -0.980 176.408 177.300 0.146 0.000 1.227 896 P CA -0.071 63.114 63.100 0.142 0.000 0.788 896 P CB 0.559 32.311 31.700 0.086 0.000 0.926 897 D N -0.147 120.367 120.400 0.191 0.000 2.440 897 D HA 0.087 4.727 4.640 -0.000 0.000 0.258 897 D C 1.272 177.637 176.300 0.108 0.000 1.092 897 D CA -0.752 53.346 54.000 0.164 0.000 1.016 897 D CB 0.696 41.653 40.800 0.261 0.000 1.141 897 D HN 0.228 nan 8.370 nan 0.000 0.552 898 K N 0.679 121.127 120.400 0.080 0.000 2.160 898 K HA -0.225 4.095 4.320 -0.000 0.000 0.206 898 K C 0.642 177.276 176.600 0.056 0.000 1.047 898 K CA 1.176 57.495 56.287 0.054 0.000 0.930 898 K CB -0.664 31.859 32.500 0.039 0.000 0.720 898 K HN 0.327 nan 8.250 nan 0.000 0.450 899 N N 0.683 119.430 118.700 0.078 0.000 2.461 899 N HA 0.009 4.749 4.740 -0.000 0.000 0.188 899 N C 0.884 176.424 175.510 0.049 0.000 1.134 899 N CA 1.036 54.124 53.050 0.063 0.000 0.878 899 N CB 0.501 39.036 38.487 0.080 0.000 0.972 899 N HN 0.619 nan 8.380 nan 0.000 0.456 900 G N 0.050 108.884 108.800 0.057 0.000 2.195 900 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.246 900 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.246 900 G C -0.222 174.691 174.900 0.022 0.000 0.984 900 G CA -0.035 45.086 45.100 0.035 0.000 0.633 900 G HN 0.298 nan 8.290 nan 0.000 0.525 901 D N 0.534 120.953 120.400 0.031 0.000 2.304 901 D HA 0.376 5.016 4.640 -0.000 0.000 0.247 901 D C -0.097 176.173 176.300 -0.050 0.000 1.089 901 D CA -0.158 53.799 54.000 -0.072 0.000 0.910 901 D CB 0.832 41.533 40.800 -0.165 0.000 1.199 901 D HN 0.137 nan 8.370 nan 0.000 0.426 902 N N 1.626 120.231 118.700 -0.158 0.000 2.469 902 N HA 0.089 4.829 4.740 -0.000 0.000 0.253 902 N C -0.092 175.326 175.510 -0.154 0.000 0.970 902 N CA -0.493 52.529 53.050 -0.047 0.000 0.940 902 N CB 0.549 39.014 38.487 -0.035 0.000 1.128 902 N HN 0.377 nan 8.380 nan 0.000 0.503 903 W N 1.248 122.560 121.300 0.020 0.000 3.003 903 W HA 0.249 4.909 4.660 -0.000 0.000 0.257 903 W C 0.776 177.323 176.519 0.047 0.000 1.308 903 W CA -0.462 56.896 57.345 0.021 0.000 1.529 903 W CB -0.190 29.275 29.460 0.008 0.000 1.115 903 W HN 0.425 nan 8.180 nan 0.000 0.659 904 N N 1.213 120.064 118.700 0.252 0.000 2.492 904 N HA 0.034 4.774 4.740 -0.000 0.000 0.260 904 N C -0.089 175.508 175.510 0.145 0.000 1.215 904 N CA 0.242 53.437 53.050 0.241 0.000 0.923 904 N CB 0.682 39.344 38.487 0.293 0.000 1.092 904 N HN -0.085 nan 8.380 nan 0.000 0.448 905 S N 1.148 116.939 115.700 0.152 0.000 2.525 905 S HA 0.554 5.024 4.470 -0.000 0.000 0.278 905 S C 0.987 175.607 174.600 0.033 0.000 1.234 905 S CA -0.511 57.731 58.200 0.070 0.000 1.058 905 S CB 1.618 64.870 63.200 0.087 0.000 0.983 905 S HN 0.581 nan 8.310 nan 0.000 0.495 906 A N 3.053 125.871 122.820 -0.002 0.000 2.066 906 A HA 0.300 4.620 4.320 -0.000 0.000 0.218 906 A C 0.785 178.339 177.584 -0.051 0.000 1.157 906 A CA 0.452 52.473 52.037 -0.027 0.000 0.670 906 A CB -0.426 18.559 19.000 -0.024 0.000 0.804 906 A HN 0.858 nan 8.150 nan 0.000 0.453 907 I N 1.250 121.795 120.570 -0.042 0.000 2.382 907 I HA 0.222 4.392 4.170 -0.000 0.000 0.285 907 I C -0.668 175.408 176.117 -0.069 0.000 1.007 907 I CA -0.523 60.744 61.300 -0.056 0.000 1.142 907 I CB 1.500 39.485 38.000 -0.025 0.000 1.289 907 I HN 0.127 nan 8.210 nan 0.000 0.453 908 K N 6.017 126.326 120.400 -0.152 0.000 2.095 908 K HA 0.545 4.865 4.320 -0.000 0.000 0.252 908 K C -0.561 176.004 176.600 -0.058 0.000 0.977 908 K CA -0.867 55.308 56.287 -0.187 0.000 0.900 908 K CB 1.893 33.971 32.500 -0.704 0.000 1.060 908 K HN 0.514 nan 8.250 nan 0.000 0.449 909 Q N 0.674 120.540 119.800 0.110 0.000 2.248 909 Q HA 0.470 4.810 4.340 -0.000 0.000 0.263 909 Q C -0.894 175.214 176.000 0.180 0.000 1.007 909 Q CA -0.992 54.885 55.803 0.123 0.000 0.877 909 Q CB 2.281 31.100 28.738 0.134 0.000 1.315 909 Q HN 0.236 nan 8.270 nan 0.000 0.454 910 V N 0.955 120.946 119.914 0.128 0.000 2.483 910 V HA 0.780 4.900 4.120 -0.000 0.000 0.297 910 V C -0.757 175.443 176.094 0.175 0.000 1.027 910 V CA -0.431 61.951 62.300 0.137 0.000 0.855 910 V CB 1.359 33.255 31.823 0.121 0.000 0.995 910 V HN 0.876 nan 8.190 nan 0.000 0.424 911 A N 3.101 125.930 122.820 0.014 0.000 2.532 911 A HA 0.758 5.078 4.320 -0.000 0.000 0.290 911 A C 1.040 178.281 177.584 -0.571 0.000 1.143 911 A CA 0.148 52.063 52.037 -0.203 0.000 0.728 911 A CB 1.419 20.340 19.000 -0.132 0.000 1.317 911 A HN 0.939 nan 8.150 nan 0.000 0.414 912 S N 0.268 115.473 115.700 -0.826 0.000 2.426 912 S HA -0.181 4.289 4.470 -0.000 0.000 0.259 912 S C 1.188 175.531 174.600 -0.428 0.000 1.096 912 S CA 1.689 59.535 58.200 -0.590 0.000 1.219 912 S CB -1.154 61.819 63.200 -0.378 0.000 1.124 912 S HN 1.865 nan 8.310 nan 0.000 0.436 913 G N 1.102 109.529 108.800 -0.622 0.000 2.319 913 G HA2 0.505 4.465 3.960 -0.000 0.000 0.308 913 G HA3 0.505 4.465 3.960 -0.000 0.000 0.308 913 G C -0.143 174.095 174.900 -1.103 0.000 1.117 913 G CA -0.807 43.761 45.100 -0.886 0.000 0.903 913 G HN 0.179 nan 8.290 nan 0.000 0.436 914 R N 3.389 123.427 120.500 -0.771 0.000 4.496 914 R HA 0.104 4.444 4.340 -0.000 0.000 0.211 914 R C 0.510 176.583 176.300 -0.377 0.000 1.738 914 R CA -0.544 55.231 56.100 -0.541 0.000 1.528 914 R CB -0.293 29.704 30.300 -0.505 0.000 1.414 914 R HN 0.538 nan 8.270 nan 0.000 0.812 915 F N 0.347 120.186 119.950 -0.185 0.000 2.043 915 F HA -0.157 4.370 4.527 -0.000 0.000 0.297 915 F C 2.133 177.783 175.800 -0.250 0.000 1.118 915 F CA 1.740 59.632 58.000 -0.180 0.000 1.202 915 F CB -0.541 38.379 39.000 -0.133 0.000 0.965 915 F HN 0.313 nan 8.300 nan 0.000 0.482 916 G N -0.373 108.300 108.800 -0.213 0.000 4.547 916 G HA2 0.417 4.377 3.960 -0.000 0.000 0.301 916 G HA3 0.417 4.377 3.960 -0.000 0.000 0.301 916 G C -0.900 173.695 174.900 -0.509 0.000 1.240 916 G CA -0.176 44.743 45.100 -0.302 0.000 0.970 916 G HN 0.023 nan 8.290 nan 0.000 0.574 917 V N 1.305 121.007 119.914 -0.354 0.000 2.415 917 V HA 0.433 4.553 4.120 -0.000 0.000 0.267 917 V C 0.416 176.465 176.094 -0.075 0.000 1.042 917 V CA 0.428 62.612 62.300 -0.193 0.000 1.000 917 V CB 0.586 32.358 31.823 -0.085 0.000 1.015 917 V HN 0.259 nan 8.190 nan 0.000 0.478 918 T N 3.419 117.975 114.554 0.004 0.000 2.916 918 T HA 0.541 4.891 4.350 -0.000 0.000 0.305 918 T C 1.072 175.772 174.700 0.000 0.000 1.119 918 T CA 0.258 62.377 62.100 0.032 0.000 1.008 918 T CB 1.976 70.898 68.868 0.091 0.000 1.129 918 T HN 0.658 nan 8.240 nan 0.000 0.480 919 A N 1.438 124.253 122.820 -0.009 0.000 1.903 919 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 919 A C 1.965 179.508 177.584 -0.067 0.000 1.191 919 A CA 2.494 54.495 52.037 -0.061 0.000 0.638 919 A CB -0.675 18.307 19.000 -0.029 0.000 0.823 919 A HN 0.929 nan 8.150 nan 0.000 0.451 920 E N -1.911 118.284 120.200 -0.008 0.000 2.150 920 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 920 E C 1.813 178.380 176.600 -0.055 0.000 0.985 920 E CA 1.369 57.754 56.400 -0.024 0.000 0.814 920 E CB -0.290 29.454 29.700 0.075 0.000 0.752 920 E HN 0.769 nan 8.360 nan 0.000 0.466 921 Y N 1.256 121.514 120.300 -0.070 0.000 2.109 921 Y HA -0.146 4.404 4.550 -0.000 0.000 0.285 921 Y C 2.003 177.807 175.900 -0.160 0.000 1.131 921 Y CA 1.686 59.757 58.100 -0.047 0.000 1.121 921 Y CB -0.431 38.060 38.460 0.052 0.000 0.987 921 Y HN -0.022 nan 8.280 nan 0.000 0.495 922 L N 0.886 122.033 121.223 -0.126 0.000 2.351 922 L HA -0.265 4.075 4.340 -0.000 0.000 0.220 922 L C 1.720 178.409 176.870 -0.301 0.000 1.127 922 L CA 1.346 56.000 54.840 -0.310 0.000 0.786 922 L CB -0.543 41.292 42.059 -0.372 0.000 0.914 922 L HN 0.407 nan 8.230 nan 0.000 0.443 923 N N -0.831 117.709 118.700 -0.266 0.000 2.280 923 N HA -0.012 4.728 4.740 -0.000 0.000 0.192 923 N C 0.435 175.760 175.510 -0.309 0.000 1.109 923 N CA 0.219 53.117 53.050 -0.253 0.000 0.855 923 N CB 0.442 38.810 38.487 -0.199 0.000 0.974 923 N HN 0.316 nan 8.380 nan 0.000 0.482 924 Q N 1.068 120.614 119.800 -0.423 0.000 2.936 924 Q HA 0.195 4.535 4.340 -0.000 0.000 0.383 924 Q C -0.215 175.603 176.000 -0.305 0.000 1.167 924 Q CA -0.131 55.383 55.803 -0.482 0.000 1.038 924 Q CB -0.183 27.947 28.738 -1.012 0.000 1.409 924 Q HN 0.376 nan 8.270 nan 0.000 0.448 925 C N -3.276 115.882 119.300 -0.236 0.000 3.211 925 C HA 0.498 4.958 4.460 -0.000 0.000 0.350 925 C C 0.846 175.753 174.990 -0.139 0.000 1.413 925 C CA -0.894 58.021 59.018 -0.171 0.000 1.203 925 C CB 1.625 29.248 27.740 -0.195 0.000 1.506 925 C HN 0.507 nan 8.230 nan 0.000 0.448 926 R N 0.579 121.014 120.500 -0.108 0.000 2.365 926 R HA 0.369 4.708 4.340 -0.000 0.000 0.223 926 R C 0.009 176.257 176.300 -0.086 0.000 0.899 926 R CA 0.485 56.532 56.100 -0.088 0.000 1.059 926 R CB 0.517 30.777 30.300 -0.066 0.000 1.086 926 R HN 0.838 nan 8.270 nan 0.000 0.522 927 E N 0.558 120.699 120.200 -0.098 0.000 2.354 927 E HA 0.246 4.596 4.350 -0.000 0.000 0.283 927 E C -1.659 174.879 176.600 -0.102 0.000 0.938 927 E CA -0.499 55.850 56.400 -0.085 0.000 0.777 927 E CB 1.434 31.097 29.700 -0.062 0.000 1.222 927 E HN -0.056 nan 8.360 nan 0.000 0.423 928 L N 3.360 124.527 121.223 -0.092 0.000 2.333 928 L HA 0.497 4.837 4.340 -0.000 0.000 0.280 928 L C -0.355 176.484 176.870 -0.052 0.000 1.004 928 L CA -0.738 54.045 54.840 -0.094 0.000 0.820 928 L CB 1.899 43.895 42.059 -0.104 0.000 1.247 928 L HN 0.643 nan 8.230 nan 0.000 0.416 929 E N 3.632 123.815 120.200 -0.027 0.000 2.133 929 E HA 0.411 4.761 4.350 -0.000 0.000 0.274 929 E C -0.858 175.753 176.600 0.017 0.000 0.930 929 E CA -0.627 55.770 56.400 -0.005 0.000 0.770 929 E CB 1.581 31.287 29.700 0.011 0.000 1.104 929 E HN 0.463 nan 8.360 nan 0.000 0.403 930 I N 4.851 125.422 120.570 0.001 0.000 2.322 930 I HA 0.081 4.251 4.170 -0.000 0.000 0.292 930 I C 0.497 176.639 176.117 0.041 0.000 1.060 930 I CA -0.090 61.209 61.300 -0.002 0.000 1.309 930 I CB 0.568 38.514 38.000 -0.090 0.000 1.415 930 I HN 0.246 nan 8.210 nan 0.000 0.492 931 K N 6.698 127.183 120.400 0.142 0.000 2.183 931 K HA 0.207 4.527 4.320 -0.000 0.000 0.272 931 K C 0.398 177.143 176.600 0.241 0.000 1.113 931 K CA -0.210 56.168 56.287 0.152 0.000 0.949 931 K CB 0.819 33.392 32.500 0.121 0.000 1.365 931 K HN 0.532 nan 8.250 nan 0.000 0.420 932 V N 2.597 122.590 119.914 0.131 0.000 2.951 932 V HA 0.097 4.217 4.120 -0.000 0.000 0.255 932 V C 0.557 176.727 176.094 0.128 0.000 1.088 932 V CA 1.140 63.527 62.300 0.145 0.000 1.109 932 V CB -0.184 31.681 31.823 0.070 0.000 0.724 932 V HN 0.860 nan 8.190 nan 0.000 0.471 933 A N -0.067 122.803 122.820 0.083 0.000 2.569 933 A HA 0.672 4.992 4.320 -0.000 0.000 0.292 933 A C -1.513 176.069 177.584 -0.003 0.000 1.032 933 A CA -0.796 51.260 52.037 0.031 0.000 0.669 933 A CB 1.079 20.099 19.000 0.034 0.000 1.290 933 A HN 0.281 nan 8.150 nan 0.000 0.422 934 Q N 0.416 120.187 119.800 -0.049 0.000 2.394 934 Q HA 0.622 4.962 4.340 -0.000 0.000 0.273 934 Q C 0.866 176.819 176.000 -0.078 0.000 1.089 934 Q CA -0.584 55.195 55.803 -0.039 0.000 0.812 934 Q CB 1.792 30.520 28.738 -0.017 0.000 1.353 934 Q HN 1.270 nan 8.270 nan 0.000 0.438 935 G N 1.354 110.131 108.800 -0.037 0.000 2.485 935 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.221 935 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.221 935 G C 1.085 175.949 174.900 -0.060 0.000 1.115 935 G CA 0.993 46.070 45.100 -0.037 0.000 0.751 935 G HN 0.764 nan 8.290 nan 0.000 0.567 936 A N 0.104 122.893 122.820 -0.052 0.000 2.021 936 A HA 0.303 4.623 4.320 -0.000 0.000 0.216 936 A C 1.302 178.837 177.584 -0.081 0.000 1.163 936 A CA 1.425 53.430 52.037 -0.053 0.000 0.676 936 A CB 0.042 19.024 19.000 -0.031 0.000 0.818 936 A HN 0.518 nan 8.150 nan 0.000 0.453 937 K N -2.496 117.838 120.400 -0.110 0.000 3.204 937 K HA 0.319 4.639 4.320 -0.000 0.000 0.196 937 K C -2.893 173.592 176.600 -0.192 0.000 1.229 937 K CA -1.130 55.082 56.287 -0.125 0.000 0.820 937 K CB 0.690 33.146 32.500 -0.073 0.000 1.130 937 K HN -0.123 nan 8.250 nan 0.000 0.569 938 P HA -0.193 nan 4.420 nan 0.000 0.214 938 P C 1.425 178.504 177.300 -0.368 0.000 1.163 938 P CA 1.885 64.567 63.100 -0.698 0.000 0.889 938 P CB 0.093 30.752 31.700 -1.735 0.000 0.790 939 G N -0.639 108.022 108.800 -0.232 0.000 2.653 939 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.212 939 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.212 939 G C 0.778 175.683 174.900 0.008 0.000 1.138 939 G CA 0.725 45.824 45.100 -0.002 0.000 0.782 939 G HN 0.509 nan 8.290 nan 0.000 0.535 940 E N -2.602 117.578 120.200 -0.033 0.000 2.614 940 E HA 0.332 4.682 4.350 -0.000 0.000 0.192 940 E C 0.610 177.197 176.600 -0.020 0.000 0.930 940 E CA -0.140 56.252 56.400 -0.013 0.000 1.346 940 E CB -0.095 29.601 29.700 -0.006 0.000 1.252 940 E HN 0.749 nan 8.360 nan 0.000 0.647 941 G N 0.779 109.559 108.800 -0.033 0.000 2.895 941 G HA2 0.115 4.075 3.960 -0.000 0.000 0.686 941 G HA3 0.115 4.075 3.960 -0.000 0.000 0.686 941 G C 0.315 175.202 174.900 -0.022 0.000 1.108 941 G CA -0.501 44.577 45.100 -0.038 0.000 0.761 941 G HN 0.600 nan 8.290 nan 0.000 0.611 942 G N 0.574 109.365 108.800 -0.016 0.000 2.562 942 G HA2 0.484 4.444 3.960 -0.000 0.000 0.233 942 G HA3 0.484 4.444 3.960 -0.000 0.000 0.233 942 G C 0.155 175.071 174.900 0.027 0.000 1.266 942 G CA 0.374 45.483 45.100 0.015 0.000 0.852 942 G HN 0.898 nan 8.290 nan 0.000 0.581 943 Q N -0.400 119.410 119.800 0.017 0.000 2.347 943 Q HA 0.587 4.927 4.340 -0.000 0.000 0.271 943 Q C -1.495 174.492 176.000 -0.020 0.000 1.064 943 Q CA -0.889 54.915 55.803 0.002 0.000 0.800 943 Q CB 2.876 31.606 28.738 -0.013 0.000 1.304 943 Q HN 0.355 nan 8.270 nan 0.000 0.438 944 L N 2.872 124.060 121.223 -0.058 0.000 2.482 944 L HA 0.502 4.842 4.340 -0.000 0.000 0.269 944 L C -2.824 173.921 176.870 -0.208 0.000 0.967 944 L CA -1.543 53.226 54.840 -0.118 0.000 0.851 944 L CB 2.140 44.127 42.059 -0.120 0.000 1.242 944 L HN 0.361 nan 8.230 nan 0.000 0.404 945 P HA 0.208 nan 4.420 nan 0.000 0.269 945 P C 0.660 177.551 177.300 -0.683 0.000 1.209 945 P CA -0.019 62.708 63.100 -0.622 0.000 0.776 945 P CB 0.884 31.926 31.700 -1.096 0.000 0.876 946 G N 2.305 110.801 108.800 -0.506 0.000 2.475 946 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 946 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 946 G C 0.578 175.358 174.900 -0.200 0.000 1.125 946 G CA 0.447 45.397 45.100 -0.250 0.000 0.755 946 G HN 0.630 nan 8.290 nan 0.000 0.565 947 F N -0.546 119.393 119.950 -0.017 0.000 2.913 947 F HA 0.586 5.113 4.527 -0.000 0.000 0.293 947 F C 1.008 176.791 175.800 -0.029 0.000 1.223 947 F CA -1.208 56.778 58.000 -0.023 0.000 1.393 947 F CB 0.164 39.153 39.000 -0.018 0.000 1.102 947 F HN -0.047 nan 8.300 nan 0.000 0.524 948 K N -0.617 119.723 120.400 -0.100 0.000 2.585 948 K HA 0.208 4.528 4.320 -0.000 0.000 0.210 948 K C -0.068 176.486 176.600 -0.078 0.000 1.294 948 K CA 0.083 56.350 56.287 -0.034 0.000 1.025 948 K CB 1.424 33.878 32.500 -0.076 0.000 1.076 948 K HN 0.157 nan 8.250 nan 0.000 0.613 949 V N 3.188 123.039 119.914 -0.105 0.000 2.008 949 V HA 0.035 4.155 4.120 -0.000 0.000 0.262 949 V C 0.659 176.708 176.094 -0.075 0.000 1.580 949 V CA 0.439 62.668 62.300 -0.118 0.000 1.515 949 V CB -0.399 31.340 31.823 -0.138 0.000 1.474 949 V HN 0.205 nan 8.190 nan 0.000 0.504 950 T N 1.522 116.039 114.554 -0.062 0.000 2.560 950 T HA -0.046 4.304 4.350 -0.000 0.000 0.354 950 T C 1.483 176.143 174.700 -0.066 0.000 1.051 950 T CA 0.330 62.401 62.100 -0.048 0.000 1.032 950 T CB 0.533 69.367 68.868 -0.058 0.000 1.057 950 T HN 0.666 nan 8.240 nan 0.000 0.529 951 E N -0.099 120.064 120.200 -0.061 0.000 2.170 951 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 951 E C 2.125 178.673 176.600 -0.087 0.000 0.981 951 E CA 0.269 56.627 56.400 -0.070 0.000 0.830 951 E CB -0.080 29.585 29.700 -0.059 0.000 0.775 951 E HN 0.552 nan 8.360 nan 0.000 0.470 952 M N 1.129 120.677 119.600 -0.087 0.000 2.067 952 M HA -0.180 4.299 4.480 -0.000 0.000 0.260 952 M C 2.179 178.411 176.300 -0.114 0.000 1.069 952 M CA 1.498 56.737 55.300 -0.101 0.000 1.117 952 M CB -0.198 32.341 32.600 -0.102 0.000 1.334 952 M HN 0.052 nan 8.290 nan 0.000 0.407 953 I N 1.109 121.609 120.570 -0.116 0.000 2.044 953 I HA -0.346 3.824 4.170 -0.000 0.000 0.234 953 I C 2.684 178.715 176.117 -0.145 0.000 1.031 953 I CA 1.860 63.078 61.300 -0.136 0.000 1.305 953 I CB -0.717 37.200 38.000 -0.138 0.000 1.026 953 I HN 0.472 nan 8.210 nan 0.000 0.392 954 A N 0.218 122.956 122.820 -0.136 0.000 2.054 954 A HA -0.324 3.996 4.320 -0.000 0.000 0.223 954 A C 2.396 179.906 177.584 -0.124 0.000 1.169 954 A CA 2.258 54.216 52.037 -0.131 0.000 0.655 954 A CB -0.875 18.064 19.000 -0.102 0.000 0.812 954 A HN 0.481 nan 8.150 nan 0.000 0.462 955 R N -0.608 119.813 120.500 -0.131 0.000 2.062 955 R HA 0.010 4.350 4.340 -0.000 0.000 0.229 955 R C 2.091 178.275 176.300 -0.193 0.000 1.128 955 R CA 1.326 57.325 56.100 -0.168 0.000 0.960 955 R CB -0.396 29.815 30.300 -0.148 0.000 0.855 955 R HN 0.536 nan 8.270 nan 0.000 0.432 956 L N 0.679 121.829 121.223 -0.122 0.000 2.012 956 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 956 L C 2.364 179.275 176.870 0.069 0.000 1.073 956 L CA 1.584 56.391 54.840 -0.056 0.000 0.748 956 L CB -0.218 41.789 42.059 -0.086 0.000 0.891 956 L HN 0.220 nan 8.230 nan 0.000 0.431 957 R N -1.176 119.317 120.500 -0.011 0.000 2.313 957 R HA -0.010 4.330 4.340 -0.000 0.000 0.199 957 R C -0.136 176.289 176.300 0.209 0.000 0.958 957 R CA 0.002 56.106 56.100 0.006 0.000 1.047 957 R CB -0.250 29.832 30.300 -0.364 0.000 0.955 957 R HN 0.395 nan 8.270 nan 0.000 0.481 958 H N -0.421 118.610 119.070 -0.066 0.000 2.594 958 H HA -0.183 4.373 4.556 -0.000 0.000 0.316 958 H C 0.196 175.500 175.328 -0.041 0.000 1.107 958 H CA 0.748 56.776 56.048 -0.034 0.000 1.133 958 H CB -1.855 27.909 29.762 0.004 0.000 1.459 958 H HN 0.145 nan 8.280 nan 0.000 0.411 959 S N -1.360 114.341 115.700 0.002 0.000 2.745 959 S HA 0.625 5.095 4.470 -0.000 0.000 0.292 959 S C 0.548 175.123 174.600 -0.043 0.000 1.127 959 S CA -0.310 57.858 58.200 -0.054 0.000 1.007 959 S CB 1.619 64.699 63.200 -0.200 0.000 1.165 959 S HN 0.323 nan 8.310 nan 0.000 0.544 960 T N 3.438 117.967 114.554 -0.042 0.000 2.799 960 T HA 0.495 4.845 4.350 -0.000 0.000 0.286 960 T C -2.651 172.019 174.700 -0.049 0.000 0.973 960 T CA -1.048 61.031 62.100 -0.035 0.000 1.035 960 T CB 1.123 69.981 68.868 -0.017 0.000 0.932 960 T HN 0.410 nan 8.240 nan 0.000 0.469 961 P HA 0.146 nan 4.420 nan 0.000 0.262 961 P C 1.067 178.348 177.300 -0.033 0.000 1.182 961 P CA 0.705 63.778 63.100 -0.045 0.000 0.761 961 P CB 0.282 31.960 31.700 -0.037 0.000 0.795 962 G N 1.488 110.266 108.800 -0.038 0.000 2.270 962 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.268 962 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.268 962 G C 0.323 175.208 174.900 -0.024 0.000 0.982 962 G CA 0.334 45.424 45.100 -0.017 0.000 0.628 962 G HN 0.539 nan 8.290 nan 0.000 0.544 963 V N 1.932 121.824 119.914 -0.036 0.000 2.775 963 V HA 0.470 4.590 4.120 -0.000 0.000 0.299 963 V C 1.166 177.219 176.094 -0.069 0.000 1.062 963 V CA -0.003 62.275 62.300 -0.037 0.000 1.063 963 V CB 1.680 33.487 31.823 -0.027 0.000 0.994 963 V HN 0.483 nan 8.190 nan 0.000 0.483 964 M N 4.241 123.805 119.600 -0.061 0.000 2.245 964 M HA 0.305 4.785 4.480 -0.000 0.000 0.344 964 M C -0.818 175.451 176.300 -0.052 0.000 1.170 964 M CA 0.114 55.365 55.300 -0.082 0.000 1.135 964 M CB 0.305 32.870 32.600 -0.058 0.000 1.574 964 M HN 0.483 nan 8.290 nan 0.000 0.452 965 L N 7.015 128.196 121.223 -0.070 0.000 2.387 965 L HA 0.416 4.756 4.340 -0.000 0.000 0.259 965 L C -0.699 176.205 176.870 0.056 0.000 1.050 965 L CA -0.528 54.306 54.840 -0.008 0.000 0.922 965 L CB 0.338 42.317 42.059 -0.132 0.000 1.280 965 L HN 0.609 nan 8.230 nan 0.000 0.449 966 I N 1.059 121.678 120.570 0.081 0.000 2.365 966 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 966 I C 0.760 176.937 176.117 0.101 0.000 1.004 966 I CA 0.104 61.453 61.300 0.083 0.000 1.311 966 I CB 1.676 39.727 38.000 0.084 0.000 1.401 966 I HN 0.450 nan 8.210 nan 0.000 0.491 967 S N 7.086 122.813 115.700 0.045 0.000 2.669 967 S HA 0.451 4.921 4.470 -0.000 0.000 0.270 967 S C -2.330 172.190 174.600 -0.135 0.000 1.225 967 S CA -0.933 57.225 58.200 -0.070 0.000 0.991 967 S CB 1.102 64.237 63.200 -0.109 0.000 0.987 967 S HN 0.452 nan 8.310 nan 0.000 0.552 968 P HA 0.323 nan 4.420 nan 0.000 0.290 968 P C -2.103 175.136 177.300 -0.101 0.000 1.276 968 P CA -1.655 61.321 63.100 -0.206 0.000 0.808 968 P CB 0.565 32.031 31.700 -0.390 0.000 0.966 969 P HA -0.036 nan 4.420 nan 0.000 0.216 969 P C -1.871 175.409 177.300 -0.032 0.000 1.150 969 P CA 1.908 64.997 63.100 -0.019 0.000 0.837 969 P CB -1.641 30.070 31.700 0.019 0.000 0.786 970 P HA 0.136 nan 4.420 nan 0.000 0.296 970 P C -0.497 176.742 177.300 -0.102 0.000 1.310 970 P CA -0.474 62.605 63.100 -0.035 0.000 0.900 970 P CB 0.944 32.617 31.700 -0.045 0.000 1.111 971 H N 1.887 120.914 119.070 -0.072 0.000 2.964 971 H HA 0.007 4.563 4.556 -0.000 0.000 0.328 971 H C 1.265 176.446 175.328 -0.244 0.000 1.030 971 H CA 0.641 56.666 56.048 -0.038 0.000 1.445 971 H CB 0.534 30.289 29.762 -0.012 0.000 1.449 971 H HN 0.543 nan 8.280 nan 0.000 0.581 972 H N 2.335 121.209 119.070 -0.326 0.000 2.553 972 H HA -0.061 4.495 4.556 -0.000 0.000 0.269 972 H C 0.162 174.939 175.328 -0.920 0.000 1.011 972 H CA 0.478 56.114 56.048 -0.687 0.000 1.150 972 H CB 0.348 29.605 29.762 -0.841 0.000 1.339 972 H HN 0.626 nan 8.280 nan 0.000 0.604 973 D N -0.093 119.972 120.400 -0.559 0.000 2.891 973 D HA 0.140 4.780 4.640 -0.000 0.000 0.332 973 D C 0.122 176.196 176.300 -0.376 0.000 1.369 973 D CA -0.237 53.410 54.000 -0.588 0.000 0.827 973 D CB -0.581 39.804 40.800 -0.692 0.000 1.141 973 D HN 0.190 nan 8.370 nan 0.000 0.464 974 I N 1.219 121.593 120.570 -0.326 0.000 2.743 974 I HA 0.063 4.233 4.170 -0.000 0.000 0.268 974 I C -0.787 175.379 176.117 0.080 0.000 1.441 974 I CA -0.493 60.733 61.300 -0.122 0.000 0.912 974 I CB 0.797 38.727 38.000 -0.118 0.000 1.410 974 I HN -0.088 nan 8.210 nan 0.000 0.540 975 Y N 1.939 122.223 120.300 -0.027 0.000 2.485 975 Y HA 0.319 4.869 4.550 -0.000 0.000 0.260 975 Y C 1.111 176.994 175.900 -0.028 0.000 1.173 975 Y CA -0.771 57.317 58.100 -0.020 0.000 1.252 975 Y CB 0.391 38.856 38.460 0.009 0.000 1.123 975 Y HN 0.549 nan 8.280 nan 0.000 0.524 976 S N -2.000 113.756 115.700 0.094 0.000 2.633 976 S HA 0.171 4.641 4.470 -0.000 0.000 0.271 976 S C 0.319 174.863 174.600 -0.093 0.000 1.112 976 S CA -0.697 57.501 58.200 -0.004 0.000 0.828 976 S CB -0.050 63.149 63.200 -0.001 0.000 1.086 976 S HN 0.069 nan 8.310 nan 0.000 0.461 977 I N 1.663 122.121 120.570 -0.187 0.000 2.361 977 I HA -0.183 3.987 4.170 -0.000 0.000 0.251 977 I C 2.283 178.158 176.117 -0.402 0.000 1.133 977 I CA 2.185 63.291 61.300 -0.323 0.000 1.413 977 I CB -0.313 37.416 38.000 -0.453 0.000 1.073 977 I HN 0.891 nan 8.210 nan 0.000 0.424 978 E N 0.359 120.349 120.200 -0.350 0.000 2.051 978 E HA -0.263 4.087 4.350 -0.000 0.000 0.192 978 E C 1.559 178.099 176.600 -0.101 0.000 0.991 978 E CA 1.512 57.800 56.400 -0.188 0.000 0.799 978 E CB -0.547 29.126 29.700 -0.045 0.000 0.748 978 E HN 0.506 nan 8.360 nan 0.000 0.449 979 D N 1.357 121.714 120.400 -0.071 0.000 2.106 979 D HA -0.182 4.458 4.640 -0.000 0.000 0.191 979 D C 2.064 178.317 176.300 -0.079 0.000 0.997 979 D CA 0.837 54.814 54.000 -0.038 0.000 0.834 979 D CB -0.513 40.282 40.800 -0.007 0.000 0.956 979 D HN 0.092 nan 8.370 nan 0.000 0.448 980 L N 1.178 122.337 121.223 -0.106 0.000 2.021 980 L HA -0.226 4.114 4.340 -0.000 0.000 0.215 980 L C 2.199 179.025 176.870 -0.073 0.000 1.074 980 L CA 2.156 56.930 54.840 -0.111 0.000 0.760 980 L CB -0.924 41.064 42.059 -0.118 0.000 0.889 980 L HN 0.026 nan 8.230 nan 0.000 0.433 981 A N -1.221 121.559 122.820 -0.067 0.000 1.940 981 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 981 A C 2.259 179.862 177.584 0.031 0.000 1.176 981 A CA 1.854 53.890 52.037 -0.003 0.000 0.631 981 A CB -0.712 18.306 19.000 0.029 0.000 0.814 981 A HN 0.637 nan 8.150 nan 0.000 0.446 982 Q N -0.315 119.490 119.800 0.009 0.000 2.167 982 Q HA -0.027 4.312 4.340 -0.000 0.000 0.202 982 Q C 1.847 177.892 176.000 0.076 0.000 0.970 982 Q CA 1.424 57.252 55.803 0.042 0.000 0.855 982 Q CB -0.395 28.363 28.738 0.032 0.000 0.911 982 Q HN 0.637 nan 8.270 nan 0.000 0.438 983 L N -0.240 120.986 121.223 0.006 0.000 2.005 983 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 983 L C 2.137 179.035 176.870 0.047 0.000 1.072 983 L CA 1.456 56.295 54.840 -0.001 0.000 0.744 983 L CB -0.324 41.695 42.059 -0.067 0.000 0.895 983 L HN 0.367 nan 8.230 nan 0.000 0.433 984 I N -1.117 119.473 120.570 0.035 0.000 2.315 984 I HA -0.380 3.790 4.170 -0.000 0.000 0.251 984 I C 2.435 178.605 176.117 0.088 0.000 1.125 984 I CA 1.386 62.712 61.300 0.044 0.000 1.392 984 I CB -0.518 37.505 38.000 0.037 0.000 1.065 984 I HN 0.342 nan 8.210 nan 0.000 0.424 985 Y N 2.329 122.631 120.300 0.003 0.000 2.070 985 Y HA -0.315 4.235 4.550 -0.000 0.000 0.279 985 Y C 2.271 178.189 175.900 0.030 0.000 1.134 985 Y CA 1.936 60.043 58.100 0.012 0.000 1.113 985 Y CB -0.501 37.962 38.460 0.005 0.000 0.981 985 Y HN 0.178 nan 8.280 nan 0.000 0.487 986 D N 0.358 120.813 120.400 0.092 0.000 2.154 986 D HA -0.276 4.364 4.640 -0.000 0.000 0.190 986 D C 2.387 178.729 176.300 0.070 0.000 1.003 986 D CA 2.153 56.201 54.000 0.081 0.000 0.849 986 D CB -0.798 40.096 40.800 0.157 0.000 0.942 986 D HN 0.411 nan 8.370 nan 0.000 0.446 987 L N 0.364 121.626 121.223 0.065 0.000 2.042 987 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 987 L C 2.198 179.023 176.870 -0.074 0.000 1.076 987 L CA 1.262 56.099 54.840 -0.005 0.000 0.749 987 L CB -0.455 41.592 42.059 -0.021 0.000 0.893 987 L HN 0.060 nan 8.230 nan 0.000 0.432 988 K N -0.479 119.862 120.400 -0.099 0.000 2.504 988 K HA -0.095 4.225 4.320 -0.000 0.000 0.195 988 K C 1.931 178.420 176.600 -0.184 0.000 1.036 988 K CA 0.478 56.686 56.287 -0.132 0.000 0.984 988 K CB 0.097 32.528 32.500 -0.115 0.000 0.788 988 K HN 0.362 nan 8.250 nan 0.000 0.488 989 Q N 0.455 120.124 119.800 -0.219 0.000 2.226 989 Q HA 0.023 4.363 4.340 -0.000 0.000 0.199 989 Q C 2.061 177.998 176.000 -0.105 0.000 0.945 989 Q CA 0.657 56.330 55.803 -0.218 0.000 0.861 989 Q CB -0.025 28.546 28.738 -0.278 0.000 0.953 989 Q HN 0.238 nan 8.270 nan 0.000 0.490 990 I N 0.922 121.457 120.570 -0.058 0.000 2.761 990 I HA -0.064 4.106 4.170 -0.000 0.000 0.261 990 I C 0.051 176.103 176.117 -0.109 0.000 1.198 990 I CA 0.766 62.035 61.300 -0.052 0.000 1.482 990 I CB 0.317 38.273 38.000 -0.073 0.000 1.100 990 I HN -0.034 nan 8.210 nan 0.000 0.445 991 N N 0.670 119.295 118.700 -0.124 0.000 2.664 991 N HA 0.283 5.023 4.740 -0.000 0.000 0.257 991 N C -2.147 173.294 175.510 -0.115 0.000 1.108 991 N CA -2.086 50.886 53.050 -0.130 0.000 0.822 991 N CB 1.278 39.672 38.487 -0.154 0.000 1.199 991 N HN -0.016 nan 8.380 nan 0.000 0.529 992 P HA -0.033 nan 4.420 nan 0.000 0.228 992 P C -0.109 177.139 177.300 -0.086 0.000 1.151 992 P CA 0.911 63.954 63.100 -0.094 0.000 0.770 992 P CB 0.689 32.334 31.700 -0.091 0.000 0.786 993 D N -0.512 119.833 120.400 -0.093 0.000 2.366 993 D HA 0.138 4.778 4.640 -0.000 0.000 0.205 993 D C 1.080 177.332 176.300 -0.080 0.000 1.022 993 D CA 0.182 54.133 54.000 -0.083 0.000 0.868 993 D CB 0.103 40.851 40.800 -0.087 0.000 0.953 993 D HN 0.108 nan 8.370 nan 0.000 0.514 994 A N 0.870 123.636 122.820 -0.091 0.000 2.322 994 A HA 0.325 4.645 4.320 -0.000 0.000 0.269 994 A C 0.475 178.017 177.584 -0.070 0.000 1.094 994 A CA -0.304 51.680 52.037 -0.088 0.000 0.807 994 A CB 0.844 19.779 19.000 -0.109 0.000 1.047 994 A HN -0.145 nan 8.150 nan 0.000 0.487 995 K N 0.446 120.809 120.400 -0.061 0.000 2.154 995 K HA 0.508 4.828 4.320 -0.000 0.000 0.264 995 K C -0.897 175.673 176.600 -0.050 0.000 1.008 995 K CA -0.381 55.876 56.287 -0.049 0.000 0.937 995 K CB 1.419 33.893 32.500 -0.043 0.000 1.002 995 K HN 0.402 nan 8.250 nan 0.000 0.469 996 V N 1.618 121.509 119.914 -0.039 0.000 2.581 996 V HA 0.340 4.460 4.120 -0.000 0.000 0.303 996 V C -0.208 175.866 176.094 -0.032 0.000 1.041 996 V CA -0.540 61.737 62.300 -0.038 0.000 0.907 996 V CB 2.081 33.886 31.823 -0.030 0.000 0.994 996 V HN 0.801 nan 8.190 nan 0.000 0.442 997 T N 2.935 117.469 114.554 -0.032 0.000 2.900 997 T HA 0.624 4.974 4.350 -0.000 0.000 0.295 997 T C -0.979 173.707 174.700 -0.024 0.000 1.044 997 T CA -0.400 61.684 62.100 -0.028 0.000 0.995 997 T CB 1.944 70.794 68.868 -0.029 0.000 1.072 997 T HN 0.339 nan 8.240 nan 0.000 0.473 998 V N 3.101 123.003 119.914 -0.020 0.000 2.407 998 V HA 0.445 4.565 4.120 -0.000 0.000 0.291 998 V C 0.075 176.167 176.094 -0.002 0.000 1.018 998 V CA -0.889 61.402 62.300 -0.016 0.000 0.842 998 V CB 1.592 33.402 31.823 -0.022 0.000 0.996 998 V HN 0.683 nan 8.190 nan 0.000 0.426 999 K N 5.552 125.959 120.400 0.012 0.000 2.276 999 K HA 0.659 4.979 4.320 -0.000 0.000 0.285 999 K C -1.251 175.374 176.600 0.042 0.000 1.062 999 K CA -0.285 56.015 56.287 0.022 0.000 0.918 999 K CB 0.597 33.114 32.500 0.030 0.000 1.055 999 K HN 0.576 nan 8.250 nan 0.000 0.477 1000 L N 2.893 124.146 121.223 0.050 0.000 2.333 1000 L HA 0.533 4.873 4.340 -0.000 0.000 0.263 1000 L C -0.728 176.210 176.870 0.112 0.000 1.014 1000 L CA -1.352 53.542 54.840 0.091 0.000 0.820 1000 L CB 2.037 44.149 42.059 0.089 0.000 1.352 1000 L HN 0.186 nan 8.230 nan 0.000 0.421 1001 V N 0.758 120.784 119.914 0.187 0.000 2.417 1001 V HA 0.275 4.395 4.120 -0.000 0.000 0.291 1001 V C 0.310 176.586 176.094 0.302 0.000 1.024 1001 V CA -0.447 61.971 62.300 0.196 0.000 0.861 1001 V CB 1.828 33.707 31.823 0.094 0.000 0.985 1001 V HN 0.872 nan 8.190 nan 0.000 0.436 1002 S N 6.717 122.552 115.700 0.225 0.000 2.558 1002 S HA 0.454 4.924 4.470 -0.000 0.000 0.287 1002 S C -0.202 174.548 174.600 0.251 0.000 1.321 1002 S CA 0.179 58.502 58.200 0.206 0.000 1.048 1002 S CB 0.240 63.553 63.200 0.190 0.000 0.844 1002 S HN 1.053 nan 8.310 nan 0.000 0.512 1003 R N 1.361 121.953 120.500 0.153 0.000 3.231 1003 R HA 0.323 4.663 4.340 -0.000 0.000 0.279 1003 R C -1.303 175.001 176.300 0.008 0.000 0.990 1003 R CA -0.139 56.011 56.100 0.083 0.000 0.879 1003 R CB -0.102 30.186 30.300 -0.020 0.000 1.289 1003 R HN 0.865 nan 8.270 nan 0.000 0.529 1004 S N 0.761 116.454 115.700 -0.012 0.000 2.548 1004 S HA 0.543 5.013 4.470 -0.000 0.000 0.277 1004 S C 1.052 175.628 174.600 -0.040 0.000 1.315 1004 S CA 0.682 58.877 58.200 -0.010 0.000 1.050 1004 S CB 1.149 64.349 63.200 0.000 0.000 0.918 1004 S HN 1.795 nan 8.310 nan 0.000 0.497 1005 G N 2.775 111.563 108.800 -0.020 0.000 2.231 1005 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.206 1005 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.206 1005 G C 0.553 175.443 174.900 -0.017 0.000 0.996 1005 G CA 0.032 45.115 45.100 -0.027 0.000 0.645 1005 G HN 0.835 nan 8.290 nan 0.000 0.498 1006 I N 1.551 122.117 120.570 -0.007 0.000 2.286 1006 I HA 0.020 4.190 4.170 -0.000 0.000 0.248 1006 I C 2.669 178.801 176.117 0.024 0.000 1.115 1006 I CA 2.376 63.683 61.300 0.013 0.000 1.392 1006 I CB -0.463 37.563 38.000 0.042 0.000 1.065 1006 I HN 0.260 nan 8.210 nan 0.000 0.418 1007 G N -0.131 108.688 108.800 0.031 0.000 2.529 1007 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.219 1007 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.219 1007 G C 1.501 176.424 174.900 0.037 0.000 1.177 1007 G CA 1.513 46.636 45.100 0.038 0.000 0.773 1007 G HN 0.358 nan 8.290 nan 0.000 0.573 1008 T N 1.181 115.755 114.554 0.034 0.000 2.516 1008 T HA -0.184 4.166 4.350 -0.000 0.000 0.261 1008 T C 2.402 177.122 174.700 0.032 0.000 1.130 1008 T CA 1.607 63.731 62.100 0.041 0.000 1.193 1008 T CB -0.347 68.539 68.868 0.030 0.000 0.864 1008 T HN 0.248 nan 8.240 nan 0.000 0.410 1009 I N 1.274 121.854 120.570 0.016 0.000 2.181 1009 I HA -0.310 3.860 4.170 -0.000 0.000 0.247 1009 I C 2.762 178.887 176.117 0.014 0.000 1.081 1009 I CA 1.482 62.786 61.300 0.006 0.000 1.340 1009 I CB -0.508 37.491 38.000 -0.002 0.000 1.036 1009 I HN 0.264 nan 8.210 nan 0.000 0.417 1010 A N 0.491 123.323 122.820 0.021 0.000 1.948 1010 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 1010 A C 2.508 180.106 177.584 0.023 0.000 1.177 1010 A CA 2.169 54.219 52.037 0.022 0.000 0.636 1010 A CB -0.936 18.081 19.000 0.028 0.000 0.815 1010 A HN 0.486 nan 8.150 nan 0.000 0.449 1011 A N -0.486 122.353 122.820 0.030 0.000 1.835 1011 A HA 0.116 4.436 4.320 -0.000 0.000 0.215 1011 A C 2.562 180.172 177.584 0.044 0.000 1.199 1011 A CA 2.115 54.173 52.037 0.034 0.000 0.615 1011 A CB -1.680 17.346 19.000 0.043 0.000 0.838 1011 A HN 0.929 nan 8.150 nan 0.000 0.444 1012 G N -0.485 108.347 108.800 0.053 0.000 2.556 1012 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 1012 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 1012 G C 1.548 176.473 174.900 0.043 0.000 1.156 1012 G CA 1.629 46.771 45.100 0.070 0.000 0.766 1012 G HN 0.370 nan 8.290 nan 0.000 0.583 1013 V N 1.586 121.506 119.914 0.011 0.000 2.252 1013 V HA -0.224 3.896 4.120 -0.000 0.000 0.249 1013 V C 3.370 179.478 176.094 0.024 0.000 1.056 1013 V CA 2.412 64.714 62.300 0.003 0.000 1.022 1013 V CB -1.053 30.769 31.823 -0.003 0.000 0.641 1013 V HN 0.535 nan 8.190 nan 0.000 0.445 1014 A N -0.548 122.289 122.820 0.028 0.000 1.978 1014 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 1014 A C 2.204 179.815 177.584 0.044 0.000 1.170 1014 A CA 1.824 53.878 52.037 0.029 0.000 0.636 1014 A CB -0.415 18.598 19.000 0.021 0.000 0.810 1014 A HN 0.591 nan 8.150 nan 0.000 0.448 1015 K N -0.376 120.067 120.400 0.070 0.000 2.365 1015 K HA 0.092 4.412 4.320 -0.000 0.000 0.199 1015 K C 1.440 178.119 176.600 0.132 0.000 1.045 1015 K CA 0.821 57.164 56.287 0.093 0.000 0.962 1015 K CB -0.144 32.441 32.500 0.141 0.000 0.759 1015 K HN 0.406 nan 8.250 nan 0.000 0.469 1016 A N 1.654 124.545 122.820 0.119 0.000 2.411 1016 A HA 0.064 4.384 4.320 -0.000 0.000 0.251 1016 A C -0.104 177.526 177.584 0.076 0.000 1.317 1016 A CA -0.222 51.883 52.037 0.113 0.000 0.904 1016 A CB -0.240 18.799 19.000 0.065 0.000 0.993 1016 A HN 0.314 nan 8.150 nan 0.000 0.504 1017 N N -1.862 116.876 118.700 0.064 0.000 2.815 1017 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 1017 N C -0.039 175.491 175.510 0.033 0.000 1.114 1017 N CA 0.953 54.035 53.050 0.052 0.000 0.717 1017 N CB -1.622 36.909 38.487 0.074 0.000 1.074 1017 N HN 0.796 nan 8.380 nan 0.000 0.555 1018 A N -0.228 122.605 122.820 0.021 0.000 2.309 1018 A HA 0.442 4.762 4.320 -0.000 0.000 0.298 1018 A C 0.986 178.570 177.584 -0.000 0.000 1.165 1018 A CA -0.335 51.705 52.037 0.005 0.000 0.821 1018 A CB 0.534 19.532 19.000 -0.002 0.000 1.102 1018 A HN 0.167 nan 8.150 nan 0.000 0.500 1019 D N 1.089 121.484 120.400 -0.009 0.000 2.333 1019 D HA 0.153 4.793 4.640 -0.000 0.000 0.208 1019 D C 0.138 176.426 176.300 -0.021 0.000 0.984 1019 D CA 1.188 55.180 54.000 -0.013 0.000 0.873 1019 D CB 0.337 41.126 40.800 -0.018 0.000 0.935 1019 D HN 0.516 nan 8.370 nan 0.000 0.521 1020 I N 0.549 121.102 120.570 -0.027 0.000 2.769 1020 I HA 0.329 4.499 4.170 -0.000 0.000 0.298 1020 I C -0.911 175.185 176.117 -0.035 0.000 1.128 1020 I CA -0.770 60.507 61.300 -0.038 0.000 1.031 1020 I CB 3.105 41.077 38.000 -0.047 0.000 1.235 1020 I HN -0.355 nan 8.210 nan 0.000 0.423 1021 I N 5.461 126.007 120.570 -0.040 0.000 2.509 1021 I HA 0.397 4.567 4.170 -0.000 0.000 0.293 1021 I C -1.242 174.848 176.117 -0.044 0.000 1.020 1021 I CA -0.778 60.504 61.300 -0.030 0.000 1.088 1021 I CB 2.299 40.290 38.000 -0.014 0.000 1.267 1021 I HN 0.274 nan 8.210 nan 0.000 0.430 1022 L N 8.036 129.239 121.223 -0.033 0.000 2.325 1022 L HA 0.632 4.972 4.340 -0.000 0.000 0.281 1022 L C -1.239 175.621 176.870 -0.018 0.000 1.004 1022 L CA -0.080 54.732 54.840 -0.046 0.000 0.823 1022 L CB 1.254 43.289 42.059 -0.041 0.000 1.236 1022 L HN 0.374 nan 8.230 nan 0.000 0.415 1023 I N 4.043 124.596 120.570 -0.029 0.000 2.330 1023 I HA 0.424 4.594 4.170 -0.000 0.000 0.289 1023 I C 0.082 176.211 176.117 0.020 0.000 1.001 1023 I CA 0.167 61.480 61.300 0.021 0.000 1.193 1023 I CB 1.659 39.688 38.000 0.049 0.000 1.345 1023 I HN 0.533 nan 8.210 nan 0.000 0.461 1024 S N 3.799 119.535 115.700 0.060 0.000 2.462 1024 S HA 0.647 5.117 4.470 -0.000 0.000 0.294 1024 S C 0.451 175.136 174.600 0.142 0.000 1.144 1024 S CA -0.738 57.505 58.200 0.071 0.000 1.088 1024 S CB 1.380 64.609 63.200 0.049 0.000 1.009 1024 S HN 0.817 nan 8.310 nan 0.000 0.484 1025 G N 2.097 111.021 108.800 0.206 0.000 2.594 1025 G HA2 0.073 4.033 3.960 -0.000 0.000 0.243 1025 G HA3 0.073 4.033 3.960 -0.000 0.000 0.243 1025 G C 1.059 176.049 174.900 0.151 0.000 1.229 1025 G CA -0.565 44.700 45.100 0.275 0.000 0.843 1025 G HN 0.769 nan 8.290 nan 0.000 0.578 1026 N N -0.441 118.328 118.700 0.116 0.000 2.166 1026 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 1026 N C 1.839 177.370 175.510 0.035 0.000 1.019 1026 N CA 1.701 54.788 53.050 0.062 0.000 0.856 1026 N CB -0.465 38.054 38.487 0.053 0.000 0.993 1026 N HN 0.443 nan 8.380 nan 0.000 0.426 1027 S N -0.800 114.931 115.700 0.051 0.000 2.701 1027 S HA 0.240 4.710 4.470 -0.000 0.000 0.220 1027 S C 1.043 175.684 174.600 0.069 0.000 0.954 1027 S CA -0.292 57.930 58.200 0.037 0.000 0.936 1027 S CB -0.753 62.474 63.200 0.045 0.000 0.777 1027 S HN 0.491 nan 8.310 nan 0.000 0.518 1028 G N 0.334 109.179 108.800 0.075 0.000 2.651 1028 G HA2 0.524 4.484 3.960 -0.000 0.000 0.260 1028 G HA3 0.524 4.484 3.960 -0.000 0.000 0.260 1028 G C 0.330 175.267 174.900 0.062 0.000 1.216 1028 G CA -0.335 44.815 45.100 0.083 0.000 0.913 1028 G HN 0.533 nan 8.290 nan 0.000 0.535 1029 G N -1.964 106.877 108.800 0.068 0.000 2.547 1029 G HA2 0.551 4.511 3.960 -0.000 0.000 0.291 1029 G HA3 0.551 4.511 3.960 -0.000 0.000 0.291 1029 G C -0.376 174.542 174.900 0.031 0.000 1.211 1029 G CA 0.398 45.529 45.100 0.053 0.000 0.950 1029 G HN 1.028 nan 8.290 nan 0.000 0.504 1030 T N -2.529 112.039 114.554 0.023 0.000 2.977 1030 T HA 0.468 4.818 4.350 -0.000 0.000 0.345 1030 T C 0.970 175.683 174.700 0.021 0.000 1.562 1030 T CA 0.560 62.669 62.100 0.015 0.000 1.090 1030 T CB 1.103 69.967 68.868 -0.007 0.000 1.383 1030 T HN 0.967 nan 8.240 nan 0.000 0.484 1031 G N 1.170 109.987 108.800 0.029 0.000 2.623 1031 G HA2 0.533 4.493 3.960 -0.000 0.000 0.214 1031 G HA3 0.533 4.493 3.960 -0.000 0.000 0.214 1031 G C 0.497 175.424 174.900 0.044 0.000 1.138 1031 G CA 0.441 45.570 45.100 0.048 0.000 0.794 1031 G HN 1.344 nan 8.290 nan 0.000 0.535 1032 A N -1.150 121.671 122.820 0.002 0.000 2.577 1032 A HA 0.740 5.060 4.320 -0.000 0.000 0.297 1032 A C -0.728 176.820 177.584 -0.060 0.000 1.060 1032 A CA 0.150 52.163 52.037 -0.039 0.000 0.697 1032 A CB 1.291 20.290 19.000 -0.001 0.000 1.281 1032 A HN 1.060 nan 8.150 nan 0.000 0.402 1033 S N 1.649 117.288 115.700 -0.102 0.000 2.678 1033 S HA 0.651 5.121 4.470 -0.000 0.000 0.290 1033 S C -3.329 171.216 174.600 -0.092 0.000 1.047 1033 S CA -0.588 57.567 58.200 -0.075 0.000 0.851 1033 S CB 1.308 64.470 63.200 -0.063 0.000 1.058 1033 S HN 0.417 nan 8.310 nan 0.000 0.451 1034 P HA 0.219 nan 4.420 nan 0.000 0.271 1034 P C 0.274 177.535 177.300 -0.065 0.000 1.233 1034 P CA -0.122 62.946 63.100 -0.054 0.000 0.789 1034 P CB 0.369 32.056 31.700 -0.021 0.000 0.951 1035 Q N 0.072 119.836 119.800 -0.061 0.000 2.354 1035 Q HA -0.044 4.296 4.340 -0.000 0.000 0.203 1035 Q C 1.735 177.683 176.000 -0.086 0.000 0.933 1035 Q CA 1.400 57.170 55.803 -0.055 0.000 0.901 1035 Q CB -0.665 28.038 28.738 -0.058 0.000 1.007 1035 Q HN 0.631 nan 8.270 nan 0.000 0.495 1036 T N -1.066 113.451 114.554 -0.062 0.000 2.708 1036 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 1036 T C 2.092 176.702 174.700 -0.151 0.000 1.037 1036 T CA 1.657 63.699 62.100 -0.095 0.000 1.146 1036 T CB -0.319 68.634 68.868 0.141 0.000 0.865 1036 T HN 0.072 nan 8.240 nan 0.000 0.435 1037 S N 1.635 117.303 115.700 -0.054 0.000 2.447 1037 S HA 0.151 4.621 4.470 -0.000 0.000 0.233 1037 S C 1.942 176.477 174.600 -0.109 0.000 1.006 1037 S CA 0.756 58.929 58.200 -0.044 0.000 0.957 1037 S CB -0.536 62.645 63.200 -0.032 0.000 0.773 1037 S HN 0.508 nan 8.310 nan 0.000 0.507 1038 I N 0.562 121.041 120.570 -0.152 0.000 2.676 1038 I HA -0.035 4.135 4.170 -0.000 0.000 0.259 1038 I C 1.752 177.715 176.117 -0.256 0.000 1.194 1038 I CA 0.925 62.127 61.300 -0.164 0.000 1.473 1038 I CB -0.014 37.910 38.000 -0.126 0.000 1.096 1038 I HN 0.099 nan 8.210 nan 0.000 0.443 1039 K N -0.593 119.523 120.400 -0.473 0.000 2.438 1039 K HA 0.228 4.548 4.320 -0.000 0.000 0.206 1039 K C 0.296 176.522 176.600 -0.623 0.000 1.081 1039 K CA 0.281 56.156 56.287 -0.687 0.000 1.053 1039 K CB 0.992 32.868 32.500 -1.040 0.000 0.908 1039 K HN 0.160 nan 8.250 nan 0.000 0.556 1040 F N -0.554 119.318 119.950 -0.129 0.000 2.883 1040 F HA 0.353 4.880 4.527 -0.000 0.000 0.351 1040 F C 0.935 176.750 175.800 0.024 0.000 0.970 1040 F CA -1.201 56.694 58.000 -0.175 0.000 1.130 1040 F CB -0.458 38.213 39.000 -0.549 0.000 1.015 1040 F HN -0.228 nan 8.300 nan 0.000 0.585 1041 A N 0.483 123.403 122.820 0.167 0.000 2.250 1041 A HA 0.658 4.978 4.320 -0.000 0.000 0.283 1041 A C 1.076 178.739 177.584 0.131 0.000 1.206 1041 A CA 0.258 52.389 52.037 0.157 0.000 0.840 1041 A CB -0.720 18.285 19.000 0.009 0.000 1.220 1041 A HN 0.868 nan 8.150 nan 0.000 0.505 1042 G N -2.292 106.604 108.800 0.160 0.000 2.915 1042 G HA2 0.129 4.089 3.960 -0.000 0.000 0.337 1042 G HA3 0.129 4.089 3.960 -0.000 0.000 0.337 1042 G C -0.856 174.155 174.900 0.185 0.000 1.477 1042 G CA 0.186 45.395 45.100 0.180 0.000 0.916 1042 G HN 1.414 nan 8.290 nan 0.000 0.550 1043 L N 1.106 122.427 121.223 0.163 0.000 2.466 1043 L HA 0.605 4.945 4.340 -0.000 0.000 0.258 1043 L C -2.140 174.779 176.870 0.082 0.000 0.973 1043 L CA -1.798 53.111 54.840 0.114 0.000 0.826 1043 L CB 2.774 44.908 42.059 0.124 0.000 1.372 1043 L HN 0.481 nan 8.230 nan 0.000 0.409 1044 P HA -0.117 nan 4.420 nan 0.000 0.266 1044 P C 0.330 177.642 177.300 0.019 0.000 1.186 1044 P CA 0.120 63.179 63.100 -0.067 0.000 0.767 1044 P CB 0.218 31.819 31.700 -0.164 0.000 0.820 1045 W N 2.262 123.578 121.300 0.026 0.000 2.402 1045 W HA -0.111 4.549 4.660 -0.000 0.000 0.286 1045 W C 0.907 177.440 176.519 0.022 0.000 1.221 1045 W CA 0.721 58.082 57.345 0.027 0.000 1.257 1045 W CB -1.568 27.906 29.460 0.023 0.000 1.120 1045 W HN 0.286 nan 8.180 nan 0.000 0.551 1046 E N 1.049 121.137 120.200 -0.186 0.000 2.097 1046 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 1046 E C 2.331 178.956 176.600 0.043 0.000 1.000 1046 E CA 2.670 59.012 56.400 -0.096 0.000 0.804 1046 E CB -0.712 28.770 29.700 -0.364 0.000 0.740 1046 E HN 0.303 nan 8.360 nan 0.000 0.454 1047 M N -0.288 119.321 119.600 0.016 0.000 2.150 1047 M HA -0.015 4.464 4.480 -0.000 0.000 0.260 1047 M C 2.539 178.895 176.300 0.094 0.000 1.088 1047 M CA 1.771 57.098 55.300 0.046 0.000 1.108 1047 M CB -1.304 31.316 32.600 0.032 0.000 1.263 1047 M HN 0.278 nan 8.290 nan 0.000 0.431 1048 G N 1.221 110.088 108.800 0.111 0.000 2.606 1048 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.221 1048 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.221 1048 G C 1.484 176.463 174.900 0.132 0.000 1.152 1048 G CA 1.646 46.820 45.100 0.123 0.000 0.765 1048 G HN 0.347 nan 8.290 nan 0.000 0.595 1049 L N 1.791 123.122 121.223 0.180 0.000 1.971 1049 L HA -0.143 4.197 4.340 -0.000 0.000 0.215 1049 L C 3.164 180.113 176.870 0.131 0.000 1.072 1049 L CA 3.079 58.011 54.840 0.153 0.000 0.758 1049 L CB -0.997 41.191 42.059 0.215 0.000 0.889 1049 L HN 0.372 nan 8.230 nan 0.000 0.433 1050 S N -1.407 114.375 115.700 0.138 0.000 2.368 1050 S HA -0.236 4.234 4.470 -0.000 0.000 0.225 1050 S C 1.851 176.528 174.600 0.129 0.000 1.030 1050 S CA 1.075 59.360 58.200 0.142 0.000 0.999 1050 S CB -0.815 62.455 63.200 0.116 0.000 0.844 1050 S HN 0.605 nan 8.310 nan 0.000 0.459 1051 E N 1.144 121.401 120.200 0.095 0.000 2.037 1051 E HA -0.209 4.141 4.350 -0.000 0.000 0.214 1051 E C 2.054 178.703 176.600 0.080 0.000 1.041 1051 E CA 2.120 58.564 56.400 0.073 0.000 0.872 1051 E CB -0.500 29.236 29.700 0.059 0.000 0.785 1051 E HN 0.378 nan 8.360 nan 0.000 0.476 1052 V N 0.641 120.605 119.914 0.083 0.000 2.222 1052 V HA -0.348 3.772 4.120 -0.000 0.000 0.252 1052 V C 2.413 178.573 176.094 0.110 0.000 1.060 1052 V CA 2.554 64.901 62.300 0.078 0.000 1.027 1052 V CB -1.003 30.860 31.823 0.067 0.000 0.644 1052 V HN 0.468 nan 8.190 nan 0.000 0.448 1053 H N -0.183 118.892 119.070 0.008 0.000 2.394 1053 H HA -0.210 4.346 4.556 -0.000 0.000 0.297 1053 H C 2.301 177.630 175.328 0.002 0.000 1.113 1053 H CA 2.537 58.581 56.048 -0.007 0.000 1.277 1053 H CB -0.152 29.610 29.762 -0.000 0.000 1.370 1053 H HN 0.585 nan 8.280 nan 0.000 0.506 1054 Q N -0.913 118.906 119.800 0.032 0.000 1.896 1054 Q HA -0.073 4.267 4.340 -0.000 0.000 0.205 1054 Q C 2.561 178.528 176.000 -0.055 0.000 0.978 1054 Q CA 1.421 57.186 55.803 -0.063 0.000 0.850 1054 Q CB -0.290 28.459 28.738 0.019 0.000 0.908 1054 Q HN 0.249 nan 8.270 nan 0.000 0.431 1055 V N 1.749 121.666 119.914 0.006 0.000 2.226 1055 V HA -0.361 3.759 4.120 -0.000 0.000 0.254 1055 V C 2.364 178.470 176.094 0.020 0.000 1.065 1055 V CA 2.021 64.340 62.300 0.032 0.000 1.039 1055 V CB -0.840 31.012 31.823 0.048 0.000 0.653 1055 V HN 0.432 nan 8.190 nan 0.000 0.450 1056 L N -0.667 120.558 121.223 0.004 0.000 2.103 1056 L HA -0.300 4.040 4.340 -0.000 0.000 0.215 1056 L C 2.573 179.419 176.870 -0.040 0.000 1.080 1056 L CA 2.334 57.168 54.840 -0.010 0.000 0.764 1056 L CB -0.918 41.133 42.059 -0.014 0.000 0.890 1056 L HN 0.446 nan 8.230 nan 0.000 0.435 1057 T N -0.329 114.163 114.554 -0.104 0.000 2.812 1057 T HA -0.119 4.231 4.350 -0.000 0.000 0.264 1057 T C 1.854 176.541 174.700 -0.021 0.000 1.042 1057 T CA 0.629 62.659 62.100 -0.117 0.000 1.140 1057 T CB -0.083 68.639 68.868 -0.243 0.000 0.870 1057 T HN 0.216 nan 8.240 nan 0.000 0.445 1058 L N 1.234 122.461 121.223 0.007 0.000 2.447 1058 L HA -0.029 4.311 4.340 -0.000 0.000 0.225 1058 L C 1.041 177.996 176.870 0.141 0.000 1.148 1058 L CA 1.271 56.162 54.840 0.085 0.000 0.808 1058 L CB -0.277 41.848 42.059 0.109 0.000 0.928 1058 L HN 0.393 nan 8.230 nan 0.000 0.448 1059 N N -0.259 118.479 118.700 0.064 0.000 2.235 1059 N HA 0.123 4.863 4.740 -0.000 0.000 0.231 1059 N C -0.280 175.206 175.510 -0.041 0.000 1.177 1059 N CA -0.287 52.750 53.050 -0.022 0.000 0.874 1059 N CB 0.666 39.106 38.487 -0.079 0.000 1.097 1059 N HN 0.102 nan 8.380 nan 0.000 0.518 1060 R N 0.751 121.256 120.500 0.008 0.000 3.416 1060 R HA -0.157 4.182 4.340 -0.000 0.000 0.263 1060 R C 0.245 176.558 176.300 0.023 0.000 1.053 1060 R CA 0.341 56.455 56.100 0.024 0.000 0.705 1060 R CB -1.811 28.488 30.300 -0.001 0.000 1.124 1060 R HN 0.379 nan 8.270 nan 0.000 0.444 1061 L N -1.245 119.988 121.223 0.017 0.000 2.781 1061 L HA 0.116 4.456 4.340 -0.000 0.000 0.245 1061 L C 1.793 178.678 176.870 0.026 0.000 1.118 1061 L CA -0.250 54.601 54.840 0.019 0.000 0.918 1061 L CB 0.134 42.194 42.059 0.001 0.000 1.246 1061 L HN 0.027 nan 8.230 nan 0.000 0.526 1062 R N -0.119 120.384 120.500 0.006 0.000 2.362 1062 R HA -0.082 4.258 4.340 -0.000 0.000 0.204 1062 R C 1.002 177.208 176.300 -0.157 0.000 1.088 1062 R CA 1.094 57.150 56.100 -0.073 0.000 1.121 1062 R CB -0.647 29.559 30.300 -0.156 0.000 0.954 1062 R HN 0.334 nan 8.270 nan 0.000 0.478 1063 H N -1.810 117.263 119.070 0.005 0.000 3.078 1063 H HA 0.248 4.804 4.556 -0.000 0.000 0.263 1063 H C 0.794 176.123 175.328 0.002 0.000 1.177 1063 H CA -0.168 55.885 56.048 0.008 0.000 1.128 1063 H CB 0.673 30.438 29.762 0.004 0.000 1.623 1063 H HN 0.162 nan 8.280 nan 0.000 0.592 1064 R N 0.302 120.849 120.500 0.079 0.000 2.265 1064 R HA 0.190 4.530 4.340 -0.000 0.000 0.194 1064 R C -0.053 176.262 176.300 0.025 0.000 0.931 1064 R CA 0.207 56.339 56.100 0.052 0.000 1.032 1064 R CB 1.034 31.358 30.300 0.040 0.000 0.980 1064 R HN -0.090 nan 8.270 nan 0.000 0.497 1065 V N 0.489 120.409 119.914 0.010 0.000 3.007 1065 V HA 0.403 4.523 4.120 -0.000 0.000 0.311 1065 V C -0.894 175.186 176.094 -0.024 0.000 1.120 1065 V CA -0.953 61.343 62.300 -0.006 0.000 0.980 1065 V CB 2.300 34.120 31.823 -0.005 0.000 1.033 1065 V HN 0.072 nan 8.190 nan 0.000 0.429 1066 R N 3.521 124.000 120.500 -0.035 0.000 2.428 1066 R HA 0.646 4.986 4.340 -0.000 0.000 0.294 1066 R C -1.240 175.016 176.300 -0.074 0.000 1.000 1066 R CA -0.576 55.489 56.100 -0.058 0.000 0.960 1066 R CB 1.283 31.545 30.300 -0.062 0.000 1.076 1066 R HN 0.545 nan 8.270 nan 0.000 0.475 1067 L N 3.235 124.396 121.223 -0.103 0.000 2.317 1067 L HA 0.584 4.924 4.340 -0.000 0.000 0.281 1067 L C 0.057 176.798 176.870 -0.214 0.000 1.024 1067 L CA -0.707 54.058 54.840 -0.125 0.000 0.810 1067 L CB 1.778 43.773 42.059 -0.106 0.000 1.240 1067 L HN 0.511 nan 8.230 nan 0.000 0.427 1068 R N 0.780 121.154 120.500 -0.210 0.000 2.795 1068 R HA 0.692 5.032 4.340 -0.000 0.000 0.275 1068 R C -1.254 174.887 176.300 -0.265 0.000 0.981 1068 R CA -0.313 55.611 56.100 -0.292 0.000 0.917 1068 R CB 2.597 32.775 30.300 -0.203 0.000 1.202 1068 R HN 0.647 nan 8.270 nan 0.000 0.469 1069 T N 0.803 115.146 114.554 -0.350 0.000 2.883 1069 T HA 0.486 4.836 4.350 -0.000 0.000 0.301 1069 T C -2.092 172.406 174.700 -0.338 0.000 1.158 1069 T CA -0.544 61.350 62.100 -0.343 0.000 1.007 1069 T CB 1.431 70.017 68.868 -0.470 0.000 1.186 1069 T HN 0.783 nan 8.240 nan 0.000 0.499 1070 D N -0.220 119.996 120.400 -0.306 0.000 2.623 1070 D HA 0.579 5.219 4.640 -0.000 0.000 0.241 1070 D C -0.257 175.984 176.300 -0.098 0.000 1.241 1070 D CA -0.218 53.659 54.000 -0.204 0.000 0.788 1070 D CB 1.046 41.794 40.800 -0.086 0.000 1.413 1070 D HN 1.015 nan 8.370 nan 0.000 0.429 1071 G N -0.918 107.906 108.800 0.040 0.000 2.618 1071 G HA2 0.526 4.486 3.960 -0.000 0.000 0.234 1071 G HA3 0.526 4.486 3.960 -0.000 0.000 0.234 1071 G C 0.724 175.806 174.900 0.304 0.000 2.826 1071 G CA 0.404 45.646 45.100 0.237 0.000 0.836 1071 G HN 1.719 nan 8.290 nan 0.000 0.498 1072 G N -0.625 108.307 108.800 0.220 0.000 2.157 1072 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.248 1072 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.248 1072 G C 0.583 175.592 174.900 0.182 0.000 0.979 1072 G CA 0.198 45.422 45.100 0.207 0.000 0.650 1072 G HN 1.309 nan 8.290 nan 0.000 0.529 1073 L N -0.127 121.197 121.223 0.168 0.000 2.477 1073 L HA 0.349 4.689 4.340 -0.000 0.000 0.272 1073 L C 1.418 178.342 176.870 0.090 0.000 1.157 1073 L CA 0.438 55.339 54.840 0.103 0.000 0.889 1073 L CB 0.835 42.881 42.059 -0.021 0.000 1.158 1073 L HN 0.148 nan 8.230 nan 0.000 0.473 1074 K N 1.009 121.450 120.400 0.069 0.000 2.438 1074 K HA 0.243 4.563 4.320 -0.000 0.000 0.206 1074 K C -0.223 176.480 176.600 0.171 0.000 1.081 1074 K CA 0.088 56.467 56.287 0.153 0.000 1.053 1074 K CB 1.173 33.661 32.500 -0.021 0.000 0.908 1074 K HN 0.600 nan 8.250 nan 0.000 0.556 1075 T N -1.743 112.848 114.554 0.062 0.000 2.853 1075 T HA 0.218 4.568 4.350 -0.000 0.000 0.311 1075 T C 0.814 175.541 174.700 0.046 0.000 1.307 1075 T CA -0.417 61.719 62.100 0.061 0.000 1.019 1075 T CB 1.736 70.561 68.868 -0.072 0.000 1.264 1075 T HN 0.118 nan 8.240 nan 0.000 0.497 1076 G N 1.496 110.365 108.800 0.116 0.000 2.586 1076 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 1076 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 1076 G C 1.534 176.441 174.900 0.012 0.000 1.216 1076 G CA 1.804 46.954 45.100 0.084 0.000 0.786 1076 G HN 0.832 nan 8.290 nan 0.000 0.583 1077 R N 0.352 120.859 120.500 0.012 0.000 2.094 1077 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 1077 R C 1.990 178.299 176.300 0.015 0.000 1.137 1077 R CA 2.085 58.189 56.100 0.007 0.000 0.943 1077 R CB -1.009 29.291 30.300 0.000 0.000 0.850 1077 R HN 0.197 nan 8.270 nan 0.000 0.433 1078 D N 0.540 120.955 120.400 0.024 0.000 2.244 1078 D HA -0.209 4.431 4.640 -0.000 0.000 0.197 1078 D C 1.891 178.228 176.300 0.062 0.000 1.006 1078 D CA 1.734 55.793 54.000 0.098 0.000 0.888 1078 D CB -0.113 40.737 40.800 0.084 0.000 0.912 1078 D HN 0.427 nan 8.370 nan 0.000 0.452 1079 I N -0.491 120.025 120.570 -0.090 0.000 2.339 1079 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 1079 I C 2.366 178.341 176.117 -0.236 0.000 1.096 1079 I CA 0.217 61.331 61.300 -0.311 0.000 1.408 1079 I CB 0.111 37.788 38.000 -0.539 0.000 1.092 1079 I HN -0.140 nan 8.210 nan 0.000 0.423 1080 V N 1.338 121.179 119.914 -0.122 0.000 2.252 1080 V HA -0.338 3.782 4.120 -0.000 0.000 0.249 1080 V C 2.331 178.439 176.094 0.022 0.000 1.056 1080 V CA 2.143 64.412 62.300 -0.052 0.000 1.022 1080 V CB -0.491 31.322 31.823 -0.017 0.000 0.641 1080 V HN 0.325 nan 8.190 nan 0.000 0.445 1081 I N 0.320 120.931 120.570 0.067 0.000 2.194 1081 I HA -0.314 3.856 4.170 -0.000 0.000 0.246 1081 I C 2.634 178.872 176.117 0.201 0.000 1.093 1081 I CA 1.618 62.992 61.300 0.123 0.000 1.355 1081 I CB -0.579 37.517 38.000 0.160 0.000 1.046 1081 I HN 0.330 nan 8.210 nan 0.000 0.413 1082 A N 0.587 123.554 122.820 0.245 0.000 1.940 1082 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 1082 A C 2.532 180.227 177.584 0.185 0.000 1.176 1082 A CA 1.904 54.074 52.037 0.222 0.000 0.631 1082 A CB -0.762 18.244 19.000 0.009 0.000 0.814 1082 A HN 0.461 nan 8.150 nan 0.000 0.446 1083 A N -0.369 122.581 122.820 0.217 0.000 1.877 1083 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 1083 A C 2.248 179.839 177.584 0.011 0.000 1.186 1083 A CA 1.820 53.961 52.037 0.173 0.000 0.620 1083 A CB -0.572 18.529 19.000 0.168 0.000 0.822 1083 A HN 0.527 nan 8.150 nan 0.000 0.443 1084 M N -0.384 119.217 119.600 0.001 0.000 2.213 1084 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 1084 M C 1.684 177.955 176.300 -0.048 0.000 1.062 1084 M CA 1.125 56.398 55.300 -0.044 0.000 1.105 1084 M CB -0.455 32.126 32.600 -0.031 0.000 1.385 1084 M HN 0.311 nan 8.290 nan 0.000 0.417 1085 L N -0.626 120.601 121.223 0.006 0.000 2.551 1085 L HA 0.006 4.346 4.340 -0.000 0.000 0.228 1085 L C 1.361 178.126 176.870 -0.175 0.000 1.153 1085 L CA 0.785 55.624 54.840 -0.002 0.000 0.851 1085 L CB -0.521 41.609 42.059 0.118 0.000 0.959 1085 L HN 0.671 nan 8.230 nan 0.000 0.451 1086 G N -0.955 107.684 108.800 -0.268 0.000 2.273 1086 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.162 1086 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.162 1086 G C 0.242 174.945 174.900 -0.328 0.000 1.006 1086 G CA -0.160 44.592 45.100 -0.580 0.000 0.704 1086 G HN 0.389 nan 8.290 nan 0.000 0.487 1087 A N -0.018 122.688 122.820 -0.190 0.000 2.286 1087 A HA 0.816 5.136 4.320 -0.000 0.000 0.286 1087 A C 0.772 178.189 177.584 -0.278 0.000 1.097 1087 A CA 0.530 52.413 52.037 -0.256 0.000 0.821 1087 A CB 0.647 19.453 19.000 -0.323 0.000 1.076 1087 A HN 0.291 nan 8.150 nan 0.000 0.490 1088 E N -0.459 119.497 120.200 -0.407 0.000 2.541 1088 E HA 0.123 4.473 4.350 -0.000 0.000 0.219 1088 E C -0.581 175.723 176.600 -0.494 0.000 0.922 1088 E CA 0.225 56.442 56.400 -0.305 0.000 1.095 1088 E CB 0.717 30.309 29.700 -0.179 0.000 1.112 1088 E HN 0.762 nan 8.360 nan 0.000 0.516 1089 E N 0.288 119.947 120.200 -0.902 0.000 2.331 1089 E HA 0.371 4.721 4.350 -0.000 0.000 0.275 1089 E C -1.445 174.435 176.600 -1.199 0.000 0.895 1089 E CA -0.551 55.388 56.400 -0.768 0.000 0.753 1089 E CB 1.867 31.379 29.700 -0.313 0.000 1.216 1089 E HN -0.127 nan 8.360 nan 0.000 0.434 1090 F N 0.027 119.953 119.950 -0.041 0.000 2.520 1090 F HA 0.539 5.066 4.527 -0.000 0.000 0.322 1090 F C 0.695 176.387 175.800 -0.181 0.000 1.103 1090 F CA -1.005 56.895 58.000 -0.167 0.000 0.926 1090 F CB 1.808 40.671 39.000 -0.228 0.000 1.154 1090 F HN 0.412 nan 8.300 nan 0.000 0.453 1091 G N 2.755 111.512 108.800 -0.072 0.000 2.335 1091 G HA2 0.652 4.612 3.960 -0.000 0.000 0.316 1091 G HA3 0.652 4.612 3.960 -0.000 0.000 0.316 1091 G C -0.990 173.870 174.900 -0.067 0.000 1.129 1091 G CA -0.506 44.560 45.100 -0.056 0.000 0.899 1091 G HN 0.644 nan 8.290 nan 0.000 0.448 1092 I N 3.449 123.990 120.570 -0.049 0.000 2.464 1092 I HA 0.322 4.492 4.170 -0.000 0.000 0.277 1092 I C 1.108 177.286 176.117 0.103 0.000 1.040 1092 I CA -0.488 60.798 61.300 -0.022 0.000 1.153 1092 I CB 1.734 39.611 38.000 -0.205 0.000 1.274 1092 I HN 0.629 nan 8.210 nan 0.000 0.469 1093 G N 2.685 111.544 108.800 0.097 0.000 2.571 1093 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.225 1093 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.225 1093 G C 1.135 176.086 174.900 0.085 0.000 1.731 1093 G CA 0.634 45.791 45.100 0.096 0.000 0.858 1093 G HN 0.384 nan 8.290 nan 0.000 0.611 1094 T N 2.041 116.639 114.554 0.074 0.000 2.572 1094 T HA -0.343 4.007 4.350 -0.000 0.000 0.258 1094 T C 2.637 177.301 174.700 -0.061 0.000 1.154 1094 T CA 3.032 65.132 62.100 0.000 0.000 1.157 1094 T CB -0.811 68.092 68.868 0.057 0.000 0.856 1094 T HN 0.490 nan 8.240 nan 0.000 0.443 1095 A N 1.346 124.226 122.820 0.100 0.000 1.948 1095 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 1095 A C 2.555 180.183 177.584 0.074 0.000 1.177 1095 A CA 2.690 54.788 52.037 0.101 0.000 0.636 1095 A CB -0.899 18.330 19.000 0.382 0.000 0.815 1095 A HN 0.709 nan 8.150 nan 0.000 0.449 1096 S N 0.037 115.817 115.700 0.134 0.000 2.402 1096 S HA -0.041 4.429 4.470 -0.000 0.000 0.229 1096 S C 1.849 176.474 174.600 0.041 0.000 1.021 1096 S CA 1.187 59.465 58.200 0.131 0.000 0.974 1096 S CB -0.690 62.635 63.200 0.209 0.000 0.800 1096 S HN 0.456 nan 8.310 nan 0.000 0.484 1097 L N 0.877 122.108 121.223 0.013 0.000 2.042 1097 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 1097 L C 2.607 179.446 176.870 -0.052 0.000 1.076 1097 L CA 1.577 56.413 54.840 -0.006 0.000 0.749 1097 L CB -0.597 41.443 42.059 -0.033 0.000 0.893 1097 L HN 0.335 nan 8.230 nan 0.000 0.432 1098 I N -0.401 120.079 120.570 -0.149 0.000 2.361 1098 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 1098 I C 2.652 178.705 176.117 -0.106 0.000 1.133 1098 I CA 1.033 62.213 61.300 -0.200 0.000 1.413 1098 I CB -0.205 37.535 38.000 -0.433 0.000 1.073 1098 I HN 0.214 nan 8.210 nan 0.000 0.424 1099 A N 0.176 122.961 122.820 -0.058 0.000 1.968 1099 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 1099 A C 2.192 179.751 177.584 -0.042 0.000 1.169 1099 A CA 0.923 52.942 52.037 -0.030 0.000 0.638 1099 A CB -0.381 18.626 19.000 0.012 0.000 0.812 1099 A HN 0.338 nan 8.150 nan 0.000 0.446 1100 M N -0.957 118.633 119.600 -0.017 0.000 2.686 1100 M HA 0.094 4.574 4.480 -0.000 0.000 0.246 1100 M C 1.291 177.544 176.300 -0.080 0.000 1.096 1100 M CA 0.959 56.248 55.300 -0.018 0.000 1.076 1100 M CB 0.049 32.740 32.600 0.151 0.000 1.504 1100 M HN 0.657 nan 8.290 nan 0.000 0.524 1101 G N -0.103 108.660 108.800 -0.061 0.000 2.205 1101 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.180 1101 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.180 1101 G C 0.108 174.990 174.900 -0.030 0.000 1.004 1101 G CA -0.293 44.770 45.100 -0.062 0.000 0.670 1101 G HN 0.471 nan 8.290 nan 0.000 0.496 1102 C N 1.446 120.725 119.300 -0.036 0.000 2.679 1102 C HA 0.537 4.997 4.460 -0.000 0.000 0.417 1102 C C 2.100 177.052 174.990 -0.064 0.000 1.302 1102 C CA 0.682 59.673 59.018 -0.045 0.000 1.973 1102 C CB -0.579 27.109 27.740 -0.087 0.000 2.715 1102 C HN 0.796 nan 8.230 nan 0.000 0.628 1103 I N 3.173 123.723 120.570 -0.033 0.000 4.081 1103 I HA 0.372 4.542 4.170 -0.000 0.000 0.333 1103 I C 0.507 176.620 176.117 -0.006 0.000 1.413 1103 I CA -0.141 61.151 61.300 -0.015 0.000 1.110 1103 I CB -0.104 37.904 38.000 0.013 0.000 1.082 1103 I HN 0.564 nan 8.210 nan 0.000 0.402 1104 M N 1.428 121.009 119.600 -0.030 0.000 2.417 1104 M HA -0.139 4.341 4.480 -0.000 0.000 0.205 1104 M C 0.127 176.450 176.300 0.038 0.000 0.452 1104 M CA 0.224 55.518 55.300 -0.010 0.000 0.512 1104 M CB -1.677 30.923 32.600 0.000 0.000 1.774 1104 M HN 0.241 nan 8.290 nan 0.000 0.874 1105 V N 0.643 120.578 119.914 0.034 0.000 3.621 1105 V HA 0.267 4.387 4.120 -0.000 0.000 0.285 1105 V C 1.040 177.172 176.094 0.063 0.000 1.346 1105 V CA 0.967 63.294 62.300 0.046 0.000 1.104 1105 V CB -0.262 31.580 31.823 0.031 0.000 0.913 1105 V HN 0.700 nan 8.190 nan 0.000 0.432 1106 R N 0.966 121.512 120.500 0.076 0.000 3.264 1106 R HA -0.218 4.122 4.340 -0.000 0.000 0.251 1106 R C 0.103 176.507 176.300 0.173 0.000 0.971 1106 R CA 0.911 57.085 56.100 0.123 0.000 0.658 1106 R CB -1.899 28.479 30.300 0.130 0.000 1.095 1106 R HN 0.699 nan 8.270 nan 0.000 0.443 1107 Q N -1.240 118.624 119.800 0.106 0.000 2.158 1107 Q HA 0.162 4.502 4.340 -0.000 0.000 0.306 1107 Q C 0.872 176.888 176.000 0.027 0.000 0.878 1107 Q CA -0.332 55.477 55.803 0.011 0.000 1.136 1107 Q CB 0.754 29.459 28.738 -0.056 0.000 1.253 1107 Q HN 0.422 nan 8.270 nan 0.000 0.441 1108 C N 0.759 120.177 119.300 0.197 0.000 2.440 1108 C HA -0.121 4.339 4.460 -0.000 0.000 0.278 1108 C C 2.186 177.318 174.990 0.236 0.000 1.295 1108 C CA 0.938 60.064 59.018 0.180 0.000 1.738 1108 C CB -1.032 26.796 27.740 0.146 0.000 1.987 1108 C HN 0.692 nan 8.230 nan 0.000 0.492 1109 H N 0.361 119.476 119.070 0.076 0.000 2.529 1109 H HA 0.080 4.636 4.556 -0.000 0.000 0.277 1109 H C 1.816 177.272 175.328 0.212 0.000 0.999 1109 H CA 1.099 57.206 56.048 0.098 0.000 1.256 1109 H CB -0.906 28.907 29.762 0.084 0.000 1.402 1109 H HN 0.378 nan 8.280 nan 0.000 0.566 1110 S N 0.555 116.159 115.700 -0.160 0.000 2.470 1110 S HA -0.087 4.383 4.470 -0.000 0.000 0.225 1110 S C 0.726 175.351 174.600 0.042 0.000 1.006 1110 S CA 0.550 58.689 58.200 -0.102 0.000 0.934 1110 S CB -0.215 62.788 63.200 -0.329 0.000 0.778 1110 S HN 0.529 nan 8.310 nan 0.000 0.517 1111 N N 1.357 120.123 118.700 0.110 0.000 2.815 1111 N HA -0.144 4.596 4.740 -0.000 0.000 0.248 1111 N C -0.243 175.267 175.510 -0.001 0.000 1.110 1111 N CA 1.137 54.251 53.050 0.107 0.000 0.699 1111 N CB -1.698 36.933 38.487 0.239 0.000 1.040 1111 N HN 0.538 nan 8.380 nan 0.000 0.555 1112 T N -2.674 111.866 114.554 -0.023 0.000 3.630 1112 T HA 0.370 4.720 4.350 -0.000 0.000 0.238 1112 T C 0.160 174.854 174.700 -0.012 0.000 1.195 1112 T CA -0.383 61.695 62.100 -0.036 0.000 1.433 1112 T CB -0.510 68.317 68.868 -0.069 0.000 0.940 1112 T HN 0.336 nan 8.240 nan 0.000 0.641 1113 C N 3.462 122.769 119.300 0.011 0.000 2.349 1113 C HA 0.461 4.920 4.460 -0.000 0.000 0.348 1113 C C -0.784 174.224 174.990 0.029 0.000 1.223 1113 C CA -1.673 57.360 59.018 0.025 0.000 1.746 1113 C CB 0.320 28.086 27.740 0.044 0.000 2.360 1113 C HN 0.506 nan 8.230 nan 0.000 0.533 1114 P HA -0.150 nan 4.420 nan 0.000 0.220 1114 P C 0.644 177.966 177.300 0.036 0.000 1.149 1114 P CA 1.534 64.647 63.100 0.021 0.000 0.829 1114 P CB 0.138 31.849 31.700 0.018 0.000 0.772 1115 V N -3.733 116.217 119.914 0.060 0.000 3.261 1115 V HA 0.357 4.477 4.120 -0.000 0.000 0.330 1115 V C 1.337 177.540 176.094 0.181 0.000 1.461 1115 V CA 0.388 62.739 62.300 0.086 0.000 1.127 1115 V CB 0.152 32.012 31.823 0.062 0.000 1.044 1115 V HN 0.238 nan 8.190 nan 0.000 0.499 1116 G N 0.619 109.516 108.800 0.162 0.000 2.162 1116 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 1116 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 1116 G C 0.663 175.674 174.900 0.185 0.000 0.976 1116 G CA 0.796 46.022 45.100 0.210 0.000 0.655 1116 G HN 0.368 nan 8.290 nan 0.000 0.533 1117 V N -0.269 119.757 119.914 0.186 0.000 2.278 1117 V HA 0.021 4.141 4.120 -0.000 0.000 0.238 1117 V C 2.003 178.119 176.094 0.037 0.000 1.039 1117 V CA 1.793 64.166 62.300 0.123 0.000 1.017 1117 V CB 0.068 31.990 31.823 0.166 0.000 0.657 1117 V HN 0.500 nan 8.190 nan 0.000 0.462 1118 C N 2.027 121.356 119.300 0.049 0.000 2.328 1118 C HA 0.690 5.150 4.460 -0.000 0.000 0.446 1118 C C 0.006 175.018 174.990 0.037 0.000 1.090 1118 C CA -0.547 58.494 59.018 0.039 0.000 1.510 1118 C CB -0.997 26.775 27.740 0.054 0.000 1.543 1118 C HN 0.306 nan 8.230 nan 0.000 0.533 1119 V N 3.138 123.063 119.914 0.019 0.000 2.891 1119 V HA 0.364 4.484 4.120 -0.000 0.000 0.304 1119 V C -0.124 175.976 176.094 0.009 0.000 1.171 1119 V CA -0.172 62.145 62.300 0.028 0.000 0.943 1119 V CB 2.180 34.023 31.823 0.033 0.000 1.037 1119 V HN 0.461 nan 8.190 nan 0.000 0.427 1120 Q N 2.015 121.829 119.800 0.023 0.000 2.269 1120 Q HA 0.085 4.425 4.340 -0.000 0.000 0.201 1120 Q C 0.583 176.585 176.000 0.003 0.000 0.946 1120 Q CA 1.051 56.855 55.803 0.002 0.000 0.877 1120 Q CB -0.316 28.424 28.738 0.003 0.000 0.963 1120 Q HN 0.989 nan 8.270 nan 0.000 0.472 1121 D N 1.113 121.523 120.400 0.018 0.000 2.493 1121 D HA -0.099 4.541 4.640 -0.000 0.000 0.240 1121 D C 0.633 176.932 176.300 -0.001 0.000 1.142 1121 D CA 0.228 54.231 54.000 0.005 0.000 0.872 1121 D CB 0.664 41.463 40.800 -0.001 0.000 1.173 1121 D HN -0.165 nan 8.370 nan 0.000 0.467 1122 D N 2.980 123.376 120.400 -0.006 0.000 2.092 1122 D HA -0.160 4.480 4.640 -0.000 0.000 0.193 1122 D C 1.536 177.837 176.300 0.001 0.000 0.994 1122 D CA 1.205 55.201 54.000 -0.007 0.000 0.828 1122 D CB 0.194 40.987 40.800 -0.011 0.000 0.963 1122 D HN 0.529 nan 8.370 nan 0.000 0.450 1123 K N -0.065 120.335 120.400 -0.001 0.000 2.097 1123 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 1123 K C 2.021 178.629 176.600 0.013 0.000 1.049 1123 K CA 0.364 56.653 56.287 0.003 0.000 0.933 1123 K CB -0.022 32.475 32.500 -0.004 0.000 0.717 1123 K HN 0.058 nan 8.250 nan 0.000 0.442 1124 L N 1.333 122.563 121.223 0.012 0.000 2.056 1124 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 1124 L C 1.961 178.858 176.870 0.044 0.000 1.078 1124 L CA 1.531 56.385 54.840 0.023 0.000 0.749 1124 L CB -0.585 41.484 42.059 0.015 0.000 0.901 1124 L HN 0.059 nan 8.230 nan 0.000 0.433 1125 R N -0.762 119.759 120.500 0.035 0.000 2.249 1125 R HA -0.154 4.186 4.340 -0.000 0.000 0.230 1125 R C 1.821 178.174 176.300 0.089 0.000 1.121 1125 R CA 0.808 56.938 56.100 0.049 0.000 0.997 1125 R CB -0.175 30.128 30.300 0.006 0.000 0.867 1125 R HN 0.580 nan 8.270 nan 0.000 0.465 1126 Q N 0.289 120.129 119.800 0.067 0.000 2.451 1126 Q HA -0.012 4.328 4.340 -0.000 0.000 0.206 1126 Q C 0.967 177.018 176.000 0.086 0.000 0.947 1126 Q CA 0.554 56.401 55.803 0.073 0.000 0.937 1126 Q CB 0.307 29.070 28.738 0.041 0.000 1.025 1126 Q HN 0.302 nan 8.270 nan 0.000 0.511 1127 K N 0.518 120.971 120.400 0.090 0.000 2.487 1127 K HA 0.027 4.347 4.320 -0.000 0.000 0.192 1127 K C 0.133 176.794 176.600 0.103 0.000 1.027 1127 K CA -0.079 56.253 56.287 0.075 0.000 1.054 1127 K CB -0.015 32.517 32.500 0.054 0.000 0.824 1127 K HN 0.053 nan 8.250 nan 0.000 0.510 1128 F N 2.141 122.097 119.950 0.010 0.000 2.504 1128 F HA -0.010 4.517 4.527 -0.000 0.000 0.369 1128 F C 0.796 176.604 175.800 0.013 0.000 1.082 1128 F CA -0.518 57.490 58.000 0.013 0.000 1.216 1128 F CB 0.830 39.842 39.000 0.020 0.000 1.108 1128 F HN -0.188 nan 8.300 nan 0.000 0.554 1129 V N 4.589 124.010 119.914 -0.822 0.000 2.915 1129 V HA 0.523 4.643 4.120 -0.000 0.000 0.364 1129 V C 0.669 176.269 176.094 -0.823 0.000 1.354 1129 V CA 0.076 62.002 62.300 -0.624 0.000 1.213 1129 V CB -0.489 31.157 31.823 -0.296 0.000 1.268 1129 V HN 0.901 nan 8.190 nan 0.000 0.557 1130 G N 0.279 107.987 108.800 -1.820 0.000 2.544 1130 G HA2 0.478 4.438 3.960 -0.000 0.000 0.242 1130 G HA3 0.478 4.438 3.960 -0.000 0.000 0.242 1130 G C -0.315 174.456 174.900 -0.216 0.000 1.247 1130 G CA 0.208 44.810 45.100 -0.830 0.000 0.840 1130 G HN 0.459 nan 8.290 nan 0.000 0.578 1131 T N 3.167 117.668 114.554 -0.089 0.000 2.971 1131 T HA 0.415 4.765 4.350 -0.000 0.000 0.304 1131 T C -1.710 172.951 174.700 -0.064 0.000 1.038 1131 T CA -0.719 61.352 62.100 -0.049 0.000 1.007 1131 T CB 2.509 71.331 68.868 -0.077 0.000 1.055 1131 T HN 0.180 nan 8.240 nan 0.000 0.451 1132 P HA -0.174 nan 4.420 nan 0.000 0.217 1132 P C 1.124 178.337 177.300 -0.144 0.000 1.158 1132 P CA 1.355 64.371 63.100 -0.140 0.000 0.887 1132 P CB 0.297 31.902 31.700 -0.158 0.000 0.792 1133 E N -0.331 119.801 120.200 -0.113 0.000 2.118 1133 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 1133 E C 1.853 178.378 176.600 -0.125 0.000 0.992 1133 E CA 1.291 57.624 56.400 -0.113 0.000 0.804 1133 E CB -0.653 29.000 29.700 -0.079 0.000 0.741 1133 E HN 0.341 nan 8.360 nan 0.000 0.458 1134 K N 0.304 120.641 120.400 -0.106 0.000 2.001 1134 K HA -0.064 4.256 4.320 -0.000 0.000 0.208 1134 K C 2.253 178.779 176.600 -0.123 0.000 1.048 1134 K CA 1.275 57.506 56.287 -0.095 0.000 0.932 1134 K CB -0.551 31.905 32.500 -0.072 0.000 0.715 1134 K HN 0.039 nan 8.250 nan 0.000 0.437 1135 V N 1.964 121.794 119.914 -0.141 0.000 2.220 1135 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 1135 V C 2.569 178.488 176.094 -0.293 0.000 1.049 1135 V CA 1.783 63.962 62.300 -0.203 0.000 1.003 1135 V CB -0.632 31.035 31.823 -0.261 0.000 0.634 1135 V HN 0.041 nan 8.190 nan 0.000 0.444 1136 V N 0.941 120.676 119.914 -0.298 0.000 2.313 1136 V HA -0.373 3.747 4.120 -0.000 0.000 0.253 1136 V C 2.319 178.243 176.094 -0.284 0.000 1.070 1136 V CA 2.471 64.595 62.300 -0.293 0.000 1.057 1136 V CB -1.094 30.592 31.823 -0.228 0.000 0.653 1136 V HN 0.615 nan 8.190 nan 0.000 0.450 1137 N N -0.027 118.482 118.700 -0.319 0.000 2.069 1137 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 1137 N C 1.780 176.855 175.510 -0.724 0.000 1.031 1137 N CA 1.733 54.428 53.050 -0.591 0.000 0.852 1137 N CB -0.554 37.623 38.487 -0.517 0.000 1.018 1137 N HN 0.435 nan 8.380 nan 0.000 0.423 1138 L N 0.875 121.932 121.223 -0.276 0.000 1.990 1138 L HA -0.147 4.193 4.340 -0.000 0.000 0.213 1138 L C 1.970 178.912 176.870 0.118 0.000 1.072 1138 L CA 1.670 56.511 54.840 0.002 0.000 0.755 1138 L CB -1.023 41.175 42.059 0.231 0.000 0.889 1138 L HN -0.053 nan 8.230 nan 0.000 0.432 1139 F N 0.010 119.889 119.950 -0.119 0.000 2.102 1139 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 1139 F C 2.633 178.411 175.800 -0.036 0.000 1.105 1139 F CA 1.559 59.587 58.000 0.047 0.000 1.239 1139 F CB -1.819 37.268 39.000 0.146 0.000 0.991 1139 F HN 0.075 nan 8.300 nan 0.000 0.474 1140 T N 0.713 115.248 114.554 -0.032 0.000 2.721 1140 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 1140 T C 1.772 176.388 174.700 -0.139 0.000 1.038 1140 T CA 1.475 63.476 62.100 -0.165 0.000 1.145 1140 T CB -0.442 68.226 68.868 -0.334 0.000 0.858 1140 T HN -0.036 nan 8.240 nan 0.000 0.459 1141 F N 0.677 120.503 119.950 -0.207 0.000 2.025 1141 F HA 0.103 4.630 4.527 -0.000 0.000 0.291 1141 F C 2.204 177.897 175.800 -0.178 0.000 1.150 1141 F CA -0.243 57.513 58.000 -0.407 0.000 1.166 1141 F CB -1.501 36.742 39.000 -1.262 0.000 0.995 1141 F HN -0.034 nan 8.300 nan 0.000 0.474 1142 L N 0.569 121.837 121.223 0.075 0.000 2.125 1142 L HA -0.381 3.959 4.340 -0.000 0.000 0.234 1142 L C 2.519 179.548 176.870 0.265 0.000 1.110 1142 L CA 2.254 57.242 54.840 0.246 0.000 0.832 1142 L CB -1.924 40.217 42.059 0.136 0.000 0.922 1142 L HN 0.252 nan 8.230 nan 0.000 0.449 1143 A N -0.982 122.004 122.820 0.277 0.000 1.842 1143 A HA -0.304 4.016 4.320 -0.000 0.000 0.217 1143 A C 2.245 179.862 177.584 0.055 0.000 1.206 1143 A CA 2.091 54.198 52.037 0.117 0.000 0.630 1143 A CB -0.847 18.134 19.000 -0.032 0.000 0.839 1143 A HN 0.500 nan 8.150 nan 0.000 0.447 1144 E N 0.191 120.390 120.200 -0.002 0.000 2.147 1144 E HA -0.275 4.074 4.350 -0.000 0.000 0.199 1144 E C 1.905 178.556 176.600 0.085 0.000 1.005 1144 E CA 2.064 58.427 56.400 -0.062 0.000 0.810 1144 E CB -0.344 29.146 29.700 -0.349 0.000 0.736 1144 E HN 0.773 nan 8.360 nan 0.000 0.460 1145 E N -0.752 119.583 120.200 0.225 0.000 2.204 1145 E HA -0.140 4.209 4.350 -0.000 0.000 0.195 1145 E C 1.866 178.572 176.600 0.175 0.000 0.990 1145 E CA 1.201 57.789 56.400 0.313 0.000 0.821 1145 E CB -0.013 29.947 29.700 0.432 0.000 0.750 1145 E HN 0.223 nan 8.360 nan 0.000 0.477 1146 V N 1.511 121.501 119.914 0.127 0.000 2.283 1146 V HA -0.212 3.908 4.120 -0.000 0.000 0.243 1146 V C 2.326 178.454 176.094 0.057 0.000 1.039 1146 V CA 2.170 64.512 62.300 0.070 0.000 1.016 1146 V CB -0.464 31.385 31.823 0.042 0.000 0.650 1146 V HN 0.335 nan 8.190 nan 0.000 0.449 1147 R N 0.075 120.600 120.500 0.043 0.000 2.200 1147 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 1147 R C 2.035 178.371 176.300 0.060 0.000 1.127 1147 R CA 1.523 57.645 56.100 0.037 0.000 0.989 1147 R CB -0.370 29.937 30.300 0.013 0.000 0.869 1147 R HN 0.586 nan 8.270 nan 0.000 0.459 1148 E N 1.116 121.366 120.200 0.084 0.000 2.046 1148 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 1148 E C 2.032 178.682 176.600 0.084 0.000 0.982 1148 E CA 0.883 57.340 56.400 0.095 0.000 0.800 1148 E CB -0.027 29.758 29.700 0.143 0.000 0.756 1148 E HN 0.301 nan 8.360 nan 0.000 0.449 1149 I N 1.117 121.738 120.570 0.084 0.000 2.208 1149 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 1149 I C 2.291 178.465 176.117 0.094 0.000 1.097 1149 I CA 0.993 62.340 61.300 0.078 0.000 1.363 1149 I CB -0.152 37.888 38.000 0.067 0.000 1.051 1149 I HN 0.147 nan 8.210 nan 0.000 0.413 1150 L N 0.346 121.626 121.223 0.096 0.000 2.017 1150 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 1150 L C 2.776 179.738 176.870 0.154 0.000 1.073 1150 L CA 1.428 56.353 54.840 0.143 0.000 0.745 1150 L CB -0.780 41.352 42.059 0.122 0.000 0.894 1150 L HN 0.226 nan 8.230 nan 0.000 0.432 1151 A N 0.213 123.093 122.820 0.099 0.000 2.070 1151 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 1151 A C 2.353 179.972 177.584 0.058 0.000 1.159 1151 A CA 1.483 53.561 52.037 0.069 0.000 0.656 1151 A CB -1.050 17.980 19.000 0.050 0.000 0.800 1151 A HN 0.473 nan 8.150 nan 0.000 0.453 1152 G N -0.208 108.637 108.800 0.074 0.000 2.408 1152 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.217 1152 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.217 1152 G C 1.357 176.299 174.900 0.069 0.000 1.150 1152 G CA 0.924 46.062 45.100 0.063 0.000 0.776 1152 G HN 0.464 nan 8.290 nan 0.000 0.542 1153 L N 0.196 121.499 121.223 0.132 0.000 2.558 1153 L HA 0.274 4.614 4.340 -0.000 0.000 0.225 1153 L C 2.028 178.873 176.870 -0.041 0.000 1.128 1153 L CA 0.474 55.422 54.840 0.179 0.000 0.868 1153 L CB 0.095 42.421 42.059 0.445 0.000 1.006 1153 L HN 0.389 nan 8.230 nan 0.000 0.454 1154 G N -0.274 108.484 108.800 -0.070 0.000 2.157 1154 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.239 1154 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.239 1154 G C 0.014 174.688 174.900 -0.377 0.000 0.982 1154 G CA -0.424 44.526 45.100 -0.249 0.000 0.650 1154 G HN 0.184 nan 8.290 nan 0.000 0.527 1155 F N -0.638 119.325 119.950 0.022 0.000 2.422 1155 F HA 0.702 5.229 4.527 -0.000 0.000 0.333 1155 F C 1.338 177.148 175.800 0.016 0.000 1.095 1155 F CA -1.022 56.991 58.000 0.021 0.000 1.038 1155 F CB 1.558 40.572 39.000 0.024 0.000 1.156 1155 F HN -0.097 nan 8.300 nan 0.000 0.483 1156 R N 0.708 121.325 120.500 0.194 0.000 2.427 1156 R HA 0.242 4.582 4.340 -0.000 0.000 0.262 1156 R C -0.626 175.730 176.300 0.094 0.000 0.943 1156 R CA 0.132 56.296 56.100 0.107 0.000 1.081 1156 R CB 0.236 30.577 30.300 0.068 0.000 1.166 1156 R HN 0.686 nan 8.270 nan 0.000 0.534 1157 S N -1.973 113.798 115.700 0.118 0.000 2.586 1157 S HA 0.063 4.533 4.470 -0.000 0.000 0.277 1157 S C -0.035 174.586 174.600 0.034 0.000 1.131 1157 S CA -0.886 57.351 58.200 0.061 0.000 0.848 1157 S CB 0.741 63.971 63.200 0.050 0.000 1.091 1157 S HN 0.018 nan 8.310 nan 0.000 0.453 1158 L N 2.779 124.009 121.223 0.011 0.000 2.083 1158 L HA 0.072 4.412 4.340 -0.000 0.000 0.209 1158 L C 2.394 179.257 176.870 -0.013 0.000 1.083 1158 L CA 1.911 56.750 54.840 -0.001 0.000 0.752 1158 L CB -0.978 41.093 42.059 0.020 0.000 0.899 1158 L HN 0.877 nan 8.230 nan 0.000 0.433 1159 N N 0.231 118.933 118.700 0.003 0.000 2.043 1159 N HA -0.220 4.520 4.740 -0.000 0.000 0.193 1159 N C 1.346 176.845 175.510 -0.019 0.000 1.037 1159 N CA 1.545 54.596 53.050 0.002 0.000 0.851 1159 N CB -0.053 38.444 38.487 0.017 0.000 1.027 1159 N HN 0.514 nan 8.380 nan 0.000 0.422 1160 E N -0.017 120.178 120.200 -0.008 0.000 2.516 1160 E HA -0.104 4.246 4.350 -0.000 0.000 0.206 1160 E C 0.704 177.186 176.600 -0.196 0.000 1.107 1160 E CA 0.226 56.618 56.400 -0.014 0.000 0.903 1160 E CB 0.239 30.007 29.700 0.113 0.000 0.838 1160 E HN 0.187 nan 8.360 nan 0.000 0.574 1161 V N 0.454 120.239 119.914 -0.214 0.000 3.432 1161 V HA 0.095 4.215 4.120 -0.000 0.000 0.290 1161 V C 0.327 176.313 176.094 -0.180 0.000 1.591 1161 V CA -0.257 61.834 62.300 -0.348 0.000 1.069 1161 V CB 0.615 32.155 31.823 -0.472 0.000 0.892 1161 V HN 0.132 nan 8.190 nan 0.000 0.436 1162 I N 1.563 122.073 120.570 -0.101 0.000 2.648 1162 I HA 0.322 4.492 4.170 -0.000 0.000 0.284 1162 I C 1.694 177.755 176.117 -0.093 0.000 1.153 1162 I CA 1.564 62.815 61.300 -0.082 0.000 1.426 1162 I CB 0.579 38.544 38.000 -0.058 0.000 1.381 1162 I HN 0.418 nan 8.210 nan 0.000 0.571 1163 G N 5.263 113.972 108.800 -0.151 0.000 2.302 1163 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.263 1163 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.263 1163 G C 0.855 175.744 174.900 -0.018 0.000 0.995 1163 G CA -0.304 44.722 45.100 -0.124 0.000 0.622 1163 G HN 0.583 nan 8.290 nan 0.000 0.538 1164 R N 2.023 122.493 120.500 -0.051 0.000 3.853 1164 R HA 0.081 4.421 4.340 -0.000 0.000 0.169 1164 R C 2.162 178.438 176.300 -0.039 0.000 1.823 1164 R CA 1.117 57.190 56.100 -0.044 0.000 1.283 1164 R CB -1.081 29.147 30.300 -0.121 0.000 1.323 1164 R HN 0.751 nan 8.270 nan 0.000 0.741 1165 T N -2.688 111.858 114.554 -0.015 0.000 3.007 1165 T HA -0.145 4.205 4.350 -0.000 0.000 0.270 1165 T C 1.365 176.020 174.700 -0.075 0.000 1.107 1165 T CA 1.074 63.151 62.100 -0.038 0.000 1.118 1165 T CB -0.031 68.828 68.868 -0.016 0.000 0.889 1165 T HN 0.491 nan 8.240 nan 0.000 0.506 1166 D N 2.380 122.756 120.400 -0.041 0.000 2.203 1166 D HA -0.191 4.449 4.640 -0.000 0.000 0.199 1166 D C 1.688 177.927 176.300 -0.101 0.000 0.997 1166 D CA 1.005 54.976 54.000 -0.048 0.000 0.863 1166 D CB -0.604 40.212 40.800 0.027 0.000 0.928 1166 D HN 0.478 nan 8.370 nan 0.000 0.458 1167 L N -0.069 121.128 121.223 -0.044 0.000 2.700 1167 L HA 0.093 4.433 4.340 -0.000 0.000 0.240 1167 L C 0.426 177.226 176.870 -0.117 0.000 1.162 1167 L CA 0.362 55.206 54.840 0.006 0.000 0.874 1167 L CB -0.472 41.630 42.059 0.071 0.000 1.001 1167 L HN 0.022 nan 8.230 nan 0.000 0.447 1168 L N -0.896 120.113 121.223 -0.357 0.000 2.372 1168 L HA 0.452 4.792 4.340 -0.000 0.000 0.274 1168 L C -0.914 175.675 176.870 -0.469 0.000 0.988 1168 L CA -0.826 53.843 54.840 -0.285 0.000 0.833 1168 L CB 1.110 43.108 42.059 -0.102 0.000 1.236 1168 L HN 0.016 nan 8.230 nan 0.000 0.410 1169 H N 0.863 119.945 119.070 0.021 0.000 2.533 1169 H HA 0.387 4.943 4.556 -0.000 0.000 0.343 1169 H C -0.511 174.822 175.328 0.007 0.000 1.160 1169 H CA -0.796 55.261 56.048 0.016 0.000 1.218 1169 H CB 1.322 31.095 29.762 0.018 0.000 1.566 1169 H HN 0.526 nan 8.280 nan 0.000 0.522 1170 Q N 2.722 122.583 119.800 0.101 0.000 2.398 1170 Q HA 0.457 4.797 4.340 -0.000 0.000 0.251 1170 Q C -1.174 174.856 176.000 0.050 0.000 0.999 1170 Q CA -0.631 55.203 55.803 0.052 0.000 0.874 1170 Q CB 0.575 29.326 28.738 0.021 0.000 1.215 1170 Q HN 0.484 nan 8.270 nan 0.000 0.470 1181 L N 0.396 121.625 121.223 0.009 0.000 2.358 1181 L HA 0.609 4.949 4.340 -0.000 0.000 0.268 1181 L C -0.373 176.501 176.870 0.005 0.000 1.032 1181 L CA -0.728 54.117 54.840 0.007 0.000 0.805 1181 L CB 1.061 43.122 42.059 0.004 0.000 1.253 1181 L HN 0.297 nan 8.230 nan 0.000 0.452 1182 D N 1.223 121.626 120.400 0.004 0.000 2.460 1182 D HA 0.277 4.917 4.640 -0.000 0.000 0.232 1182 D C 0.025 176.327 176.300 0.002 0.000 1.079 1182 D CA -0.116 53.887 54.000 0.005 0.000 0.864 1182 D CB 0.921 41.724 40.800 0.006 0.000 1.048 1182 D HN 0.364 nan 8.370 nan 0.000 0.523 1183 L N 3.560 124.783 121.223 0.000 0.000 2.685 1183 L HA 0.153 4.493 4.340 -0.000 0.000 0.233 1183 L C 1.575 178.444 176.870 -0.001 0.000 1.173 1183 L CA -0.153 54.684 54.840 -0.006 0.000 0.961 1183 L CB -0.237 41.815 42.059 -0.012 0.000 1.217 1183 L HN 0.307 nan 8.230 nan 0.000 0.478 1184 N N 1.567 120.270 118.700 0.004 0.000 2.083 1184 N HA -0.084 4.656 4.740 -0.000 0.000 0.190 1184 N C -0.846 174.670 175.510 0.010 0.000 1.047 1184 N CA 1.251 54.305 53.050 0.007 0.000 0.845 1184 N CB -0.571 37.921 38.487 0.009 0.000 1.025 1184 N HN -0.049 nan 8.380 nan 0.000 0.428 1185 P HA -0.190 nan 4.420 nan 0.000 0.219 1185 P C 0.729 178.042 177.300 0.021 0.000 1.145 1185 P CA 1.334 64.443 63.100 0.015 0.000 0.813 1185 P CB -0.026 31.682 31.700 0.013 0.000 0.771 1186 R N -1.202 119.308 120.500 0.016 0.000 2.100 1186 R HA 0.139 4.479 4.340 -0.000 0.000 0.220 1186 R C 2.108 178.425 176.300 0.027 0.000 1.091 1186 R CA 0.899 57.013 56.100 0.023 0.000 0.986 1186 R CB -0.839 29.465 30.300 0.006 0.000 0.888 1186 R HN 0.324 nan 8.270 nan 0.000 0.444 1187 L N 0.927 122.158 121.223 0.013 0.000 2.558 1187 L HA 0.226 4.566 4.340 -0.000 0.000 0.225 1187 L C 1.096 177.975 176.870 0.015 0.000 1.128 1187 L CA -0.296 54.548 54.840 0.006 0.000 0.868 1187 L CB -0.281 41.768 42.059 -0.017 0.000 1.006 1187 L HN -0.021 nan 8.230 nan 0.000 0.454 1188 A N 0.684 123.518 122.820 0.023 0.000 2.445 1188 A HA 0.282 4.602 4.320 -0.000 0.000 0.242 1188 A C 0.113 177.718 177.584 0.036 0.000 1.075 1188 A CA -0.080 51.971 52.037 0.024 0.000 0.777 1188 A CB 0.240 19.252 19.000 0.020 0.000 1.013 1188 A HN 0.310 nan 8.150 nan 0.000 0.493 1189 Q N 0.972 120.790 119.800 0.031 0.000 2.214 1189 Q HA 0.394 4.734 4.340 -0.000 0.000 0.251 1189 Q C 0.498 176.510 176.000 0.020 0.000 0.936 1189 Q CA -0.853 54.971 55.803 0.035 0.000 0.894 1189 Q CB 1.709 30.470 28.738 0.038 0.000 1.252 1189 Q HN 0.472 nan 8.270 nan 0.000 0.448 1190 V N 0.391 120.309 119.914 0.007 0.000 2.341 1190 V HA -0.082 4.038 4.120 -0.000 0.000 0.240 1190 V C 0.019 176.120 176.094 0.011 0.000 1.035 1190 V CA 1.457 63.758 62.300 0.000 0.000 1.033 1190 V CB 0.271 32.080 31.823 -0.024 0.000 0.678 1190 V HN 0.754 nan 8.190 nan 0.000 0.464 1191 D N 0.527 120.935 120.400 0.014 0.000 2.483 1191 D HA 0.350 4.990 4.640 -0.000 0.000 0.281 1191 D C -2.406 173.911 176.300 0.028 0.000 1.174 1191 D CA -1.051 52.962 54.000 0.023 0.000 0.938 1191 D CB 0.976 41.792 40.800 0.027 0.000 1.002 1191 D HN 0.311 nan 8.370 nan 0.000 0.501 1192 P HA 0.338 nan 4.420 nan 0.000 0.270 1192 P C 0.704 178.024 177.300 0.035 0.000 1.227 1192 P CA 0.179 63.299 63.100 0.033 0.000 0.788 1192 P CB 0.640 32.358 31.700 0.030 0.000 0.926 1204 R N -0.334 120.157 120.500 -0.015 0.000 2.750 1204 R HA 0.588 4.928 4.340 -0.000 0.000 0.281 1204 R C -0.776 175.522 176.300 -0.004 0.000 0.972 1204 R CA -0.813 55.279 56.100 -0.013 0.000 0.912 1204 R CB 1.094 31.381 30.300 -0.023 0.000 1.187 1204 R HN 0.421 nan 8.270 nan 0.000 0.464 1205 N N 1.747 120.449 118.700 0.002 0.000 2.418 1205 N HA -0.064 4.676 4.740 -0.000 0.000 0.277 1205 N C -0.656 174.864 175.510 0.016 0.000 1.317 1205 N CA 0.160 53.217 53.050 0.013 0.000 0.922 1205 N CB 0.438 38.936 38.487 0.019 0.000 1.194 1205 N HN 0.495 nan 8.380 nan 0.000 0.485 1206 E N 1.297 121.507 120.200 0.016 0.000 2.391 1206 E HA 0.357 4.707 4.350 -0.000 0.000 0.255 1206 E C -0.625 176.005 176.600 0.049 0.000 1.187 1206 E CA -0.197 56.215 56.400 0.020 0.000 0.941 1206 E CB 0.881 30.589 29.700 0.012 0.000 1.010 1206 E HN 0.120 nan 8.360 nan 0.000 0.458 1207 V N 1.999 121.951 119.914 0.063 0.000 3.114 1207 V HA 0.398 4.518 4.120 -0.000 0.000 0.308 1207 V C -2.301 173.892 176.094 0.165 0.000 1.168 1207 V CA -1.738 60.648 62.300 0.143 0.000 1.015 1207 V CB 2.106 34.050 31.823 0.202 0.000 1.050 1207 V HN 0.718 nan 8.190 nan 0.000 0.433 1208 P HA 0.249 nan 4.420 nan 0.000 0.271 1208 P C -0.938 176.510 177.300 0.246 0.000 1.216 1208 P CA -0.253 62.974 63.100 0.212 0.000 0.771 1208 P CB 0.263 32.086 31.700 0.205 0.000 0.864 1209 D N 0.911 121.399 120.400 0.146 0.000 2.354 1209 D HA 0.202 4.842 4.640 -0.000 0.000 0.238 1209 D C 0.627 177.026 176.300 0.164 0.000 1.250 1209 D CA 0.503 54.573 54.000 0.117 0.000 0.911 1209 D CB 0.461 41.300 40.800 0.065 0.000 1.163 1209 D HN 0.276 nan 8.370 nan 0.000 0.456 1210 T N 0.191 114.821 114.554 0.127 0.000 2.604 1210 T HA 0.125 4.475 4.350 -0.000 0.000 0.267 1210 T C 1.091 175.809 174.700 0.031 0.000 0.923 1210 T CA -0.738 61.430 62.100 0.114 0.000 1.077 1210 T CB 0.489 69.450 68.868 0.156 0.000 1.392 1210 T HN 0.110 nan 8.240 nan 0.000 0.531 1211 L N 1.296 122.516 121.223 -0.005 0.000 2.187 1211 L HA -0.048 4.292 4.340 -0.000 0.000 0.213 1211 L C 1.358 178.155 176.870 -0.121 0.000 1.100 1211 L CA 1.951 56.727 54.840 -0.106 0.000 0.765 1211 L CB -1.203 40.777 42.059 -0.132 0.000 0.904 1211 L HN 0.521 nan 8.230 nan 0.000 0.437 1212 D N -0.395 119.979 120.400 -0.044 0.000 2.309 1212 D HA -0.087 4.553 4.640 -0.000 0.000 0.212 1212 D C 2.037 178.324 176.300 -0.022 0.000 0.968 1212 D CA 1.101 55.085 54.000 -0.028 0.000 0.882 1212 D CB -0.077 40.726 40.800 0.004 0.000 0.918 1212 D HN 0.463 nan 8.370 nan 0.000 0.503 1213 A N -0.320 122.486 122.820 -0.022 0.000 2.235 1213 A HA 0.055 4.375 4.320 -0.000 0.000 0.208 1213 A C 1.993 179.571 177.584 -0.009 0.000 1.172 1213 A CA 0.527 52.558 52.037 -0.010 0.000 0.786 1213 A CB -0.133 18.867 19.000 0.000 0.000 0.804 1213 A HN 0.071 nan 8.150 nan 0.000 0.479 1214 R N -1.114 119.360 120.500 -0.045 0.000 2.276 1214 R HA 0.327 4.667 4.340 -0.000 0.000 0.195 1214 R C 1.503 177.817 176.300 0.024 0.000 0.908 1214 R CA 0.295 56.383 56.100 -0.021 0.000 1.083 1214 R CB -0.063 30.184 30.300 -0.089 0.000 1.182 1214 R HN 0.416 nan 8.270 nan 0.000 0.608 1215 I N 0.680 121.220 120.570 -0.051 0.000 2.208 1215 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 1215 I C 1.828 178.041 176.117 0.161 0.000 1.097 1215 I CA 1.168 62.518 61.300 0.084 0.000 1.363 1215 I CB -0.051 37.970 38.000 0.034 0.000 1.051 1215 I HN -0.007 nan 8.210 nan 0.000 0.413 1216 V N 0.800 120.791 119.914 0.129 0.000 2.626 1216 V HA -0.237 3.883 4.120 -0.000 0.000 0.252 1216 V C 2.556 178.759 176.094 0.183 0.000 1.067 1216 V CA 1.810 64.225 62.300 0.191 0.000 1.081 1216 V CB -1.022 30.845 31.823 0.073 0.000 0.686 1216 V HN 0.491 nan 8.190 nan 0.000 0.468 1217 A N -0.245 122.648 122.820 0.122 0.000 1.898 1217 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 1217 A C 1.868 179.533 177.584 0.135 0.000 1.183 1217 A CA 1.355 53.456 52.037 0.107 0.000 0.622 1217 A CB -0.449 18.598 19.000 0.078 0.000 0.824 1217 A HN 0.473 nan 8.150 nan 0.000 0.444 1218 D N 0.144 120.639 120.400 0.158 0.000 2.392 1218 D HA 0.116 4.756 4.640 -0.000 0.000 0.228 1218 D C 1.175 177.564 176.300 0.149 0.000 1.003 1218 D CA 1.019 55.116 54.000 0.162 0.000 0.917 1218 D CB 0.022 40.962 40.800 0.235 0.000 0.890 1218 D HN 0.410 nan 8.370 nan 0.000 0.532 1219 A N -0.148 122.785 122.820 0.189 0.000 2.574 1219 A HA 0.188 4.508 4.320 -0.000 0.000 0.283 1219 A C 1.819 179.538 177.584 0.225 0.000 1.270 1219 A CA -0.351 51.794 52.037 0.180 0.000 0.945 1219 A CB 0.013 19.150 19.000 0.228 0.000 1.127 1219 A HN -0.040 nan 8.150 nan 0.000 0.522 1220 R N 0.994 121.619 120.500 0.208 0.000 2.094 1220 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 1220 R C -1.013 175.391 176.300 0.174 0.000 1.137 1220 R CA 2.652 58.885 56.100 0.221 0.000 0.943 1220 R CB -1.038 29.346 30.300 0.140 0.000 0.850 1220 R HN 0.378 nan 8.270 nan 0.000 0.433 1221 P HA -0.202 nan 4.420 nan 0.000 0.216 1221 P C 1.147 178.467 177.300 0.033 0.000 1.153 1221 P CA 0.968 64.103 63.100 0.058 0.000 0.858 1221 P CB -0.123 31.592 31.700 0.025 0.000 0.789 1222 L N -0.839 120.354 121.223 -0.051 0.000 1.956 1222 L HA -0.182 4.158 4.340 -0.000 0.000 0.216 1222 L C 2.078 178.875 176.870 -0.123 0.000 1.073 1222 L CA 2.081 56.807 54.840 -0.188 0.000 0.762 1222 L CB -1.734 40.008 42.059 -0.529 0.000 0.889 1222 L HN -0.121 nan 8.230 nan 0.000 0.433 1223 F N -0.258 119.819 119.950 0.213 0.000 2.502 1223 F HA -0.019 4.507 4.527 -0.000 0.000 0.298 1223 F C 2.441 178.312 175.800 0.118 0.000 1.111 1223 F CA 0.980 59.092 58.000 0.186 0.000 1.445 1223 F CB -0.438 38.619 39.000 0.095 0.000 1.081 1223 F HN 0.280 nan 8.300 nan 0.000 0.558 1224 E N -0.671 119.673 120.200 0.240 0.000 2.201 1224 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 1224 E C 1.531 178.206 176.600 0.125 0.000 0.957 1224 E CA 0.461 56.957 56.400 0.161 0.000 0.858 1224 E CB 0.143 29.920 29.700 0.129 0.000 0.816 1224 E HN 0.394 nan 8.360 nan 0.000 0.475 1225 E N -0.959 119.311 120.200 0.117 0.000 2.572 1225 E HA 0.094 4.443 4.350 -0.000 0.000 0.220 1225 E C 0.590 177.255 176.600 0.108 0.000 0.945 1225 E CA 0.351 56.807 56.400 0.094 0.000 1.070 1225 E CB 1.464 31.203 29.700 0.064 0.000 1.090 1225 E HN 0.310 nan 8.360 nan 0.000 0.506 1226 G N 2.225 111.109 108.800 0.141 0.000 2.179 1226 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 1226 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 1226 G C 0.213 175.191 174.900 0.130 0.000 0.977 1226 G CA 0.493 45.683 45.100 0.150 0.000 0.641 1226 G HN 0.275 nan 8.290 nan 0.000 0.533 1227 E N 0.188 120.415 120.200 0.045 0.000 2.468 1227 E HA 0.239 4.589 4.350 -0.000 0.000 0.263 1227 E C 0.517 177.008 176.600 -0.182 0.000 1.192 1227 E CA 0.547 56.924 56.400 -0.038 0.000 1.016 1227 E CB 0.353 30.025 29.700 -0.046 0.000 0.980 1227 E HN 0.400 nan 8.360 nan 0.000 0.467 1228 K N 1.631 121.828 120.400 -0.338 0.000 2.244 1228 K HA 0.380 4.700 4.320 -0.000 0.000 0.260 1228 K C -0.884 175.550 176.600 -0.276 0.000 0.951 1228 K CA -0.368 55.565 56.287 -0.590 0.000 0.826 1228 K CB 0.808 32.886 32.500 -0.703 0.000 1.108 1228 K HN 0.371 nan 8.250 nan 0.000 0.433 1229 M N 2.240 121.715 119.600 -0.208 0.000 2.619 1229 M HA 0.297 4.777 4.480 -0.000 0.000 0.297 1229 M C -1.022 175.232 176.300 -0.077 0.000 1.229 1229 M CA -0.990 54.243 55.300 -0.112 0.000 0.860 1229 M CB 2.309 34.866 32.600 -0.071 0.000 1.741 1229 M HN 0.542 nan 8.290 nan 0.000 0.462 1230 Q N 2.595 122.359 119.800 -0.060 0.000 2.327 1230 Q HA 0.630 4.970 4.340 -0.000 0.000 0.270 1230 Q C -2.078 173.888 176.000 -0.057 0.000 1.022 1230 Q CA -0.309 55.465 55.803 -0.048 0.000 0.773 1230 Q CB 1.958 30.664 28.738 -0.054 0.000 1.251 1230 Q HN 0.748 nan 8.270 nan 0.000 0.457 1231 L N 1.722 122.919 121.223 -0.043 0.000 2.334 1231 L HA 0.860 5.200 4.340 -0.000 0.000 0.273 1231 L C -0.428 176.315 176.870 -0.212 0.000 1.013 1231 L CA -0.947 53.814 54.840 -0.132 0.000 0.816 1231 L CB 1.972 44.050 42.059 0.031 0.000 1.278 1231 L HN 0.624 nan 8.230 nan 0.000 0.431 1232 A N 2.459 124.998 122.820 -0.468 0.000 2.371 1232 A HA 0.855 5.175 4.320 -0.000 0.000 0.311 1232 A C -1.698 175.562 177.584 -0.541 0.000 1.068 1232 A CA -0.298 51.542 52.037 -0.330 0.000 0.744 1232 A CB 1.133 20.018 19.000 -0.190 0.000 1.239 1232 A HN 0.593 nan 8.150 nan 0.000 0.435 1233 Y N 0.318 120.631 120.300 0.021 0.000 2.670 1233 Y HA 0.433 4.983 4.550 -0.000 0.000 0.334 1233 Y C 0.011 175.925 175.900 0.024 0.000 1.185 1233 Y CA -0.931 57.184 58.100 0.025 0.000 1.053 1233 Y CB 1.668 40.148 38.460 0.033 0.000 1.298 1233 Y HN 0.748 nan 8.280 nan 0.000 0.459 1234 N N 0.255 119.079 118.700 0.207 0.000 2.476 1234 N HA 0.831 5.571 4.740 -0.000 0.000 0.276 1234 N C -1.317 174.257 175.510 0.107 0.000 1.204 1234 N CA -0.484 52.637 53.050 0.117 0.000 0.974 1234 N CB 1.512 40.050 38.487 0.086 0.000 1.204 1234 N HN 0.751 nan 8.380 nan 0.000 0.543 1235 A N 0.068 122.932 122.820 0.073 0.000 2.549 1235 A HA 0.721 5.041 4.320 -0.000 0.000 0.297 1235 A C -0.887 176.722 177.584 0.042 0.000 1.061 1235 A CA -0.666 51.406 52.037 0.058 0.000 0.690 1235 A CB 1.370 20.404 19.000 0.056 0.000 1.287 1235 A HN 0.544 nan 8.150 nan 0.000 0.402 1236 R N 0.175 120.697 120.500 0.037 0.000 2.854 1236 R HA 0.275 4.615 4.340 -0.000 0.000 0.271 1236 R C 0.635 176.946 176.300 0.019 0.000 0.996 1236 R CA -0.264 55.852 56.100 0.026 0.000 0.961 1236 R CB 1.551 31.870 30.300 0.033 0.000 1.182 1236 R HN 1.002 nan 8.270 nan 0.000 0.479 1237 N N -1.155 117.550 118.700 0.010 0.000 2.635 1237 N HA -0.131 4.609 4.740 -0.000 0.000 0.191 1237 N C 0.828 176.405 175.510 0.113 0.000 1.155 1237 N CA 1.124 54.196 53.050 0.037 0.000 0.927 1237 N CB 0.202 38.711 38.487 0.037 0.000 0.976 1237 N HN 0.299 nan 8.380 nan 0.000 0.448 1238 T N -0.856 113.715 114.554 0.030 0.000 3.044 1238 T HA 0.097 4.447 4.350 -0.000 0.000 0.250 1238 T C -0.077 174.648 174.700 0.042 0.000 1.081 1238 T CA 0.018 62.139 62.100 0.036 0.000 1.040 1238 T CB 0.055 68.757 68.868 -0.277 0.000 0.962 1238 T HN 0.329 nan 8.240 nan 0.000 0.506 1239 Q N 1.640 121.454 119.800 0.023 0.000 2.290 1239 Q HA 0.523 4.863 4.340 -0.000 0.000 0.259 1239 Q C -0.574 175.425 176.000 -0.003 0.000 0.941 1239 Q CA -0.303 55.510 55.803 0.016 0.000 0.912 1239 Q CB 1.767 30.527 28.738 0.036 0.000 1.244 1239 Q HN 0.206 nan 8.270 nan 0.000 0.441 1240 R N 1.023 121.525 120.500 0.004 0.000 2.778 1240 R HA 0.651 4.991 4.340 -0.000 0.000 0.277 1240 R C -0.186 176.205 176.300 0.153 0.000 0.977 1240 R CA -0.385 55.728 56.100 0.020 0.000 0.950 1240 R CB 1.645 31.897 30.300 -0.080 0.000 1.165 1240 R HN 0.822 nan 8.270 nan 0.000 0.474 1241 A N 1.646 124.538 122.820 0.120 0.000 2.832 1241 A HA -0.189 4.131 4.320 -0.000 0.000 0.280 1241 A C 0.296 177.927 177.584 0.079 0.000 1.464 1241 A CA 0.406 52.511 52.037 0.112 0.000 0.804 1241 A CB -2.017 17.082 19.000 0.165 0.000 1.020 1241 A HN 0.655 nan 8.150 nan 0.000 0.563 1242 I N -0.853 119.754 120.570 0.061 0.000 2.741 1242 I HA 0.265 4.435 4.170 -0.000 0.000 0.288 1242 I C 1.716 177.859 176.117 0.043 0.000 1.192 1242 I CA 1.760 63.086 61.300 0.044 0.000 1.426 1242 I CB 0.238 38.259 38.000 0.036 0.000 1.367 1242 I HN 1.176 nan 8.210 nan 0.000 0.563 1243 G N 3.970 112.796 108.800 0.044 0.000 2.345 1243 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 1243 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 1243 G C 0.925 175.863 174.900 0.063 0.000 1.058 1243 G CA 0.320 45.454 45.100 0.057 0.000 0.632 1243 G HN 0.504 nan 8.290 nan 0.000 0.508 1244 T N 0.697 115.286 114.554 0.057 0.000 2.684 1244 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 1244 T C 2.184 176.915 174.700 0.051 0.000 1.036 1244 T CA 2.073 64.219 62.100 0.077 0.000 1.148 1244 T CB -0.163 68.758 68.868 0.088 0.000 0.863 1244 T HN 0.420 nan 8.240 nan 0.000 0.436 1245 R N 0.760 121.270 120.500 0.016 0.000 2.148 1245 R HA 0.139 4.479 4.340 -0.000 0.000 0.227 1245 R C 2.241 178.563 176.300 0.036 0.000 1.103 1245 R CA 0.767 56.866 56.100 -0.001 0.000 0.983 1245 R CB -0.813 29.469 30.300 -0.030 0.000 0.874 1245 R HN 0.403 nan 8.270 nan 0.000 0.451 1246 L N -0.556 120.711 121.223 0.074 0.000 1.970 1246 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 1246 L C 2.139 179.101 176.870 0.153 0.000 1.071 1246 L CA 2.014 56.939 54.840 0.141 0.000 0.751 1246 L CB -0.620 41.522 42.059 0.138 0.000 0.889 1246 L HN 0.309 nan 8.230 nan 0.000 0.432 1247 S N -0.995 114.772 115.700 0.112 0.000 2.372 1247 S HA -0.281 4.189 4.470 -0.000 0.000 0.227 1247 S C 2.215 176.860 174.600 0.076 0.000 1.044 1247 S CA 1.882 60.141 58.200 0.098 0.000 1.050 1247 S CB -0.311 62.945 63.200 0.093 0.000 0.901 1247 S HN 0.582 nan 8.310 nan 0.000 0.447 1248 S N 0.530 116.255 115.700 0.042 0.000 2.365 1248 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 1248 S C 2.001 176.604 174.600 0.006 0.000 1.039 1248 S CA 1.662 59.859 58.200 -0.004 0.000 1.033 1248 S CB -0.377 62.798 63.200 -0.042 0.000 0.887 1248 S HN 0.482 nan 8.310 nan 0.000 0.447 1249 M N 0.587 120.199 119.600 0.020 0.000 2.117 1249 M HA -0.063 4.417 4.480 -0.000 0.000 0.262 1249 M C 2.213 178.635 176.300 0.203 0.000 1.065 1249 M CA 1.113 56.407 55.300 -0.010 0.000 1.114 1249 M CB -1.311 31.195 32.600 -0.157 0.000 1.361 1249 M HN 0.241 nan 8.290 nan 0.000 0.408 1250 V N 0.401 120.518 119.914 0.337 0.000 2.237 1250 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 1250 V C 2.500 178.764 176.094 0.283 0.000 1.046 1250 V CA 2.284 64.849 62.300 0.441 0.000 1.007 1250 V CB -1.099 30.912 31.823 0.314 0.000 0.638 1250 V HN 0.462 nan 8.190 nan 0.000 0.445 1251 T N -0.194 114.442 114.554 0.136 0.000 2.597 1251 T HA -0.319 4.031 4.350 -0.000 0.000 0.267 1251 T C 2.038 176.758 174.700 0.032 0.000 1.053 1251 T CA 2.241 64.376 62.100 0.059 0.000 1.165 1251 T CB -0.346 68.522 68.868 -0.000 0.000 0.863 1251 T HN 0.371 nan 8.240 nan 0.000 0.427 1252 R N 0.600 121.096 120.500 -0.007 0.000 2.139 1252 R HA -0.101 4.239 4.340 -0.000 0.000 0.243 1252 R C 2.369 178.614 176.300 -0.091 0.000 1.145 1252 R CA 1.591 57.658 56.100 -0.056 0.000 0.976 1252 R CB -0.107 30.142 30.300 -0.086 0.000 0.866 1252 R HN 0.332 nan 8.270 nan 0.000 0.449 1253 K N -1.134 119.182 120.400 -0.140 0.000 2.348 1253 K HA 0.064 4.384 4.320 -0.000 0.000 0.194 1253 K C 0.418 176.660 176.600 -0.596 0.000 1.052 1253 K CA 0.619 56.668 56.287 -0.397 0.000 1.004 1253 K CB 0.553 32.720 32.500 -0.556 0.000 0.873 1253 K HN 0.029 nan 8.250 nan 0.000 0.523 1254 F N -0.226 119.755 119.950 0.053 0.000 2.871 1254 F HA 0.407 4.934 4.527 -0.000 0.000 0.344 1254 F C 0.584 176.400 175.800 0.027 0.000 1.078 1254 F CA -0.075 57.942 58.000 0.027 0.000 1.149 1254 F CB 1.252 40.251 39.000 -0.003 0.000 1.087 1254 F HN 0.099 nan 8.300 nan 0.000 0.557 1255 G N 1.005 109.901 108.800 0.159 0.000 2.787 1255 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.685 1255 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.685 1255 G C 0.573 175.509 174.900 0.059 0.000 1.437 1255 G CA -0.207 44.958 45.100 0.109 0.000 0.872 1255 G HN 0.111 nan 8.290 nan 0.000 0.566 1256 M N -0.220 119.355 119.600 -0.042 0.000 2.267 1256 M HA 0.035 4.515 4.480 -0.000 0.000 0.263 1256 M C 1.579 177.542 176.300 -0.563 0.000 1.063 1256 M CA 1.933 57.018 55.300 -0.359 0.000 1.090 1256 M CB -0.162 32.069 32.600 -0.615 0.000 1.392 1256 M HN 0.408 nan 8.290 nan 0.000 0.422 1257 F N -1.363 118.636 119.950 0.080 0.000 2.683 1257 F HA 0.347 4.874 4.527 -0.000 0.000 0.306 1257 F C 1.889 177.710 175.800 0.036 0.000 1.102 1257 F CA -0.404 57.629 58.000 0.055 0.000 1.244 1257 F CB -0.331 38.701 39.000 0.053 0.000 1.029 1257 F HN 0.011 nan 8.300 nan 0.000 0.545 1258 G N 0.358 109.258 108.800 0.166 0.000 2.650 1258 G HA2 0.115 4.075 3.960 -0.000 0.000 0.214 1258 G HA3 0.115 4.075 3.960 -0.000 0.000 0.214 1258 G C 0.543 175.406 174.900 -0.060 0.000 1.136 1258 G CA 0.294 45.456 45.100 0.104 0.000 0.789 1258 G HN 0.169 nan 8.290 nan 0.000 0.536 1259 L N 0.811 121.950 121.223 -0.140 0.000 2.329 1259 L HA 0.337 4.677 4.340 -0.000 0.000 0.279 1259 L C -0.009 176.763 176.870 -0.163 0.000 1.014 1259 L CA -1.076 53.547 54.840 -0.362 0.000 0.814 1259 L CB 1.966 43.700 42.059 -0.543 0.000 1.257 1259 L HN 0.241 nan 8.230 nan 0.000 0.424 1260 Q N 2.106 121.820 119.800 -0.142 0.000 2.337 1260 Q HA 0.250 4.590 4.340 -0.000 0.000 0.270 1260 Q C -2.405 173.625 176.000 0.050 0.000 1.002 1260 Q CA -2.004 53.801 55.803 0.004 0.000 0.888 1260 Q CB -0.374 28.386 28.738 0.037 0.000 1.222 1260 Q HN 0.262 nan 8.270 nan 0.000 0.400 1261 P HA -0.168 nan 4.420 nan 0.000 0.260 1261 P C 0.626 177.972 177.300 0.077 0.000 1.147 1261 P CA 2.171 65.319 63.100 0.079 0.000 0.758 1261 P CB 0.037 31.791 31.700 0.090 0.000 0.744 1262 G N 2.286 111.130 108.800 0.074 0.000 2.157 1262 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.248 1262 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.248 1262 G C 0.970 175.899 174.900 0.050 0.000 0.979 1262 G CA 0.546 45.679 45.100 0.056 0.000 0.650 1262 G HN 0.637 nan 8.290 nan 0.000 0.529 1263 H N -0.423 118.614 119.070 -0.054 0.000 2.422 1263 H HA 0.169 4.725 4.556 -0.000 0.000 0.298 1263 H C 1.076 176.349 175.328 -0.092 0.000 1.098 1263 H CA 1.838 57.830 56.048 -0.093 0.000 1.315 1263 H CB 0.174 29.844 29.762 -0.153 0.000 1.382 1263 H HN 0.351 nan 8.280 nan 0.000 0.523 1264 I N 1.162 121.748 120.570 0.026 0.000 2.439 1264 I HA 0.202 4.372 4.170 -0.000 0.000 0.285 1264 I C -0.831 175.297 176.117 0.018 0.000 1.021 1264 I CA -0.027 61.267 61.300 -0.009 0.000 1.091 1264 I CB 1.496 39.498 38.000 0.002 0.000 1.242 1264 I HN -0.011 nan 8.210 nan 0.000 0.439 1265 T N 8.155 122.714 114.554 0.008 0.000 2.824 1265 T HA 0.624 4.974 4.350 -0.000 0.000 0.282 1265 T C -0.301 174.423 174.700 0.041 0.000 0.993 1265 T CA -0.269 61.846 62.100 0.026 0.000 0.967 1265 T CB 1.419 70.292 68.868 0.008 0.000 0.960 1265 T HN 0.329 nan 8.240 nan 0.000 0.441 1266 I N 4.091 124.704 120.570 0.071 0.000 2.420 1266 I HA 0.369 4.539 4.170 -0.000 0.000 0.282 1266 I C 0.312 176.484 176.117 0.092 0.000 1.019 1266 I CA -0.843 60.522 61.300 0.109 0.000 1.130 1266 I CB 0.992 39.099 38.000 0.179 0.000 1.262 1266 I HN 0.269 nan 8.210 nan 0.000 0.454 1267 R N 6.850 127.381 120.500 0.051 0.000 2.438 1267 R HA 0.583 4.923 4.340 -0.000 0.000 0.287 1267 R C -0.928 175.414 176.300 0.071 0.000 1.077 1267 R CA -0.451 55.673 56.100 0.041 0.000 1.034 1267 R CB 0.973 31.276 30.300 0.004 0.000 0.993 1267 R HN 0.526 nan 8.270 nan 0.000 0.459 1268 L N 3.361 124.628 121.223 0.074 0.000 2.406 1268 L HA 0.442 4.782 4.340 -0.000 0.000 0.270 1268 L C 0.345 177.252 176.870 0.061 0.000 0.982 1268 L CA -0.503 54.393 54.840 0.093 0.000 0.843 1268 L CB 2.019 44.136 42.059 0.096 0.000 1.225 1268 L HN 0.319 nan 8.230 nan 0.000 0.412 1269 R N 1.574 122.105 120.500 0.052 0.000 2.441 1269 R HA 0.702 5.042 4.340 -0.000 0.000 0.284 1269 R C 0.498 176.822 176.300 0.039 0.000 1.070 1269 R CA 0.762 56.884 56.100 0.037 0.000 1.047 1269 R CB 1.487 31.804 30.300 0.028 0.000 1.016 1269 R HN 0.908 nan 8.270 nan 0.000 0.477 1270 G N 0.870 109.687 108.800 0.029 0.000 2.253 1270 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.190 1270 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.190 1270 G C -1.082 173.829 174.900 0.018 0.000 1.274 1270 G CA -0.636 44.479 45.100 0.025 0.000 1.275 1270 G HN 0.543 nan 8.290 nan 0.000 0.518 1271 T N 0.825 115.390 114.554 0.018 0.000 2.921 1271 T HA 0.742 5.092 4.350 -0.000 0.000 0.297 1271 T C 0.059 174.766 174.700 0.012 0.000 1.013 1271 T CA 0.632 62.738 62.100 0.010 0.000 0.990 1271 T CB 1.487 70.356 68.868 0.002 0.000 1.023 1271 T HN 1.681 nan 8.240 nan 0.000 0.447 1272 A N 2.386 125.210 122.820 0.007 0.000 2.331 1272 A HA 0.781 5.101 4.320 -0.000 0.000 0.283 1272 A C 0.866 178.442 177.584 -0.012 0.000 1.142 1272 A CA -0.308 51.733 52.037 0.006 0.000 0.812 1272 A CB 0.325 19.332 19.000 0.011 0.000 1.074 1272 A HN 0.937 nan 8.150 nan 0.000 0.497 1273 G N 0.591 109.381 108.800 -0.015 0.000 2.535 1273 G HA2 0.435 4.395 3.960 -0.000 0.000 0.282 1273 G HA3 0.435 4.395 3.960 -0.000 0.000 0.282 1273 G C -0.102 174.754 174.900 -0.072 0.000 1.350 1273 G CA -0.578 44.490 45.100 -0.053 0.000 1.039 1273 G HN 0.786 nan 8.290 nan 0.000 0.509 1274 Q N -0.493 119.234 119.800 -0.122 0.000 2.386 1274 Q HA 0.126 4.466 4.340 -0.000 0.000 0.282 1274 Q C 0.453 176.477 176.000 0.040 0.000 1.050 1274 Q CA 0.910 56.669 55.803 -0.073 0.000 0.918 1274 Q CB 0.769 29.471 28.738 -0.060 0.000 1.266 1274 Q HN 0.625 nan 8.270 nan 0.000 0.423 1275 S N -0.353 115.419 115.700 0.120 0.000 3.812 1275 S HA -0.167 4.303 4.470 -0.000 0.000 0.341 1275 S C -0.036 174.582 174.600 0.030 0.000 1.057 1275 S CA 0.222 58.482 58.200 0.101 0.000 1.015 1275 S CB -1.415 61.836 63.200 0.084 0.000 0.893 1275 S HN 0.566 nan 8.310 nan 0.000 0.476 1276 L N 1.573 122.810 121.223 0.023 0.000 2.534 1276 L HA 0.530 4.870 4.340 -0.000 0.000 0.271 1276 L C 1.287 178.161 176.870 0.006 0.000 1.178 1276 L CA 1.946 56.797 54.840 0.018 0.000 0.907 1276 L CB -0.255 41.816 42.059 0.020 0.000 1.164 1276 L HN 0.863 nan 8.230 nan 0.000 0.482 1277 G N 3.184 111.990 108.800 0.009 0.000 2.184 1277 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.264 1277 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.264 1277 G C 0.622 175.494 174.900 -0.047 0.000 0.975 1277 G CA 0.383 45.485 45.100 0.003 0.000 0.642 1277 G HN 1.544 nan 8.290 nan 0.000 0.536 1278 A N -0.170 122.580 122.820 -0.117 0.000 2.581 1278 A HA 0.422 4.742 4.320 -0.000 0.000 0.257 1278 A C 1.135 178.578 177.584 -0.235 0.000 1.022 1278 A CA 1.421 53.244 52.037 -0.357 0.000 0.812 1278 A CB -0.701 18.056 19.000 -0.404 0.000 0.918 1278 A HN 1.595 nan 8.150 nan 0.000 0.516 1279 F N -1.382 118.565 119.950 -0.005 0.000 3.043 1279 F HA -0.216 4.311 4.527 -0.000 0.000 0.290 1279 F C 1.119 176.907 175.800 -0.019 0.000 0.844 1279 F CA 0.390 58.378 58.000 -0.019 0.000 1.184 1279 F CB -2.090 36.896 39.000 -0.023 0.000 1.246 1279 F HN 1.007 nan 8.300 nan 0.000 0.536 1280 A N 0.489 123.375 122.820 0.111 0.000 2.366 1280 A HA 0.651 4.971 4.320 -0.000 0.000 0.272 1280 A C 0.471 178.074 177.584 0.031 0.000 1.135 1280 A CA 0.088 52.166 52.037 0.070 0.000 0.804 1280 A CB 0.585 19.614 19.000 0.049 0.000 1.064 1280 A HN 0.890 nan 8.150 nan 0.000 0.499 1281 V N 1.061 120.973 119.914 -0.003 0.000 3.513 1281 V HA 0.455 4.575 4.120 -0.000 0.000 0.297 1281 V C 0.438 176.482 176.094 -0.085 0.000 1.058 1281 V CA -0.879 61.358 62.300 -0.106 0.000 1.003 1281 V CB 0.456 32.196 31.823 -0.138 0.000 1.236 1281 V HN 0.939 nan 8.190 nan 0.000 0.436 1282 Q N -0.426 119.276 119.800 -0.164 0.000 2.373 1282 Q HA 0.463 4.803 4.340 -0.000 0.000 0.255 1282 Q C 0.996 176.979 176.000 -0.028 0.000 0.980 1282 Q CA 0.898 56.672 55.803 -0.050 0.000 0.882 1282 Q CB 0.908 29.645 28.738 -0.001 0.000 1.249 1282 Q HN 1.509 nan 8.270 nan 0.000 0.438 1283 G N 3.026 111.832 108.800 0.011 0.000 2.339 1283 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.209 1283 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.209 1283 G C 0.059 174.982 174.900 0.039 0.000 1.015 1283 G CA -0.187 44.915 45.100 0.003 0.000 0.635 1283 G HN 0.574 nan 8.290 nan 0.000 0.499 1284 I N 1.531 122.123 120.570 0.038 0.000 2.396 1284 I HA 0.506 4.676 4.170 -0.000 0.000 0.292 1284 I C 0.182 176.335 176.117 0.061 0.000 0.999 1284 I CA -0.396 60.935 61.300 0.052 0.000 1.310 1284 I CB 1.670 39.704 38.000 0.056 0.000 1.404 1284 I HN 0.023 nan 8.210 nan 0.000 0.496 1285 K N 7.250 127.689 120.400 0.064 0.000 2.482 1285 K HA 0.598 4.918 4.320 -0.000 0.000 0.251 1285 K C -1.674 174.969 176.600 0.072 0.000 0.936 1285 K CA -0.655 55.675 56.287 0.072 0.000 0.791 1285 K CB 1.857 34.397 32.500 0.067 0.000 1.213 1285 K HN 0.511 nan 8.250 nan 0.000 0.428 1286 L N 4.133 125.402 121.223 0.077 0.000 2.316 1286 L HA 0.399 4.739 4.340 -0.000 0.000 0.280 1286 L C -0.460 176.455 176.870 0.075 0.000 1.006 1286 L CA -0.691 54.194 54.840 0.075 0.000 0.836 1286 L CB 1.653 43.755 42.059 0.072 0.000 1.221 1286 L HN 0.506 nan 8.230 nan 0.000 0.418 1287 E N 3.524 123.762 120.200 0.065 0.000 2.115 1287 E HA 0.335 4.685 4.350 -0.000 0.000 0.282 1287 E C -0.872 175.760 176.600 0.053 0.000 0.987 1287 E CA -0.568 55.865 56.400 0.056 0.000 0.797 1287 E CB 2.578 32.300 29.700 0.036 0.000 1.086 1287 E HN 0.216 nan 8.360 nan 0.000 0.397 1288 V N 4.943 124.889 119.914 0.052 0.000 2.333 1288 V HA 0.188 4.308 4.120 -0.000 0.000 0.274 1288 V C -0.196 175.918 176.094 0.034 0.000 1.028 1288 V CA -0.440 61.887 62.300 0.045 0.000 0.851 1288 V CB 1.020 32.869 31.823 0.043 0.000 1.000 1288 V HN 0.728 nan 8.190 nan 0.000 0.456 1289 M N 5.192 124.808 119.600 0.027 0.000 2.077 1289 M HA 0.629 5.109 4.480 -0.000 0.000 0.348 1289 M C 0.744 177.054 176.300 0.016 0.000 1.252 1289 M CA 0.938 56.248 55.300 0.017 0.000 1.096 1289 M CB 0.862 33.470 32.600 0.012 0.000 1.568 1289 M HN 0.923 nan 8.290 nan 0.000 0.456 1290 G N 2.943 111.750 108.800 0.012 0.000 1.695 1290 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.089 1290 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.089 1290 G C -1.242 173.661 174.900 0.004 0.000 1.061 1290 G CA 0.005 45.110 45.100 0.008 0.000 1.207 1290 G HN 0.796 nan 8.290 nan 0.000 0.389 1291 D N -0.820 119.583 120.400 0.004 0.000 2.769 1291 D HA 0.813 5.453 4.640 -0.000 0.000 0.309 1291 D C -0.435 175.863 176.300 -0.004 0.000 1.315 1291 D CA 0.723 54.721 54.000 -0.003 0.000 0.780 1291 D CB 0.822 41.613 40.800 -0.015 0.000 1.312 1291 D HN 1.892 nan 8.370 nan 0.000 0.437 1292 A N -0.433 122.379 122.820 -0.015 0.000 2.609 1292 A HA 0.660 4.980 4.320 -0.000 0.000 0.291 1292 A C -0.688 176.868 177.584 -0.047 0.000 1.096 1292 A CA -0.821 51.203 52.037 -0.021 0.000 0.684 1292 A CB 1.296 20.293 19.000 -0.006 0.000 1.282 1292 A HN 0.508 nan 8.150 nan 0.000 0.412 1293 N N -0.115 118.543 118.700 -0.070 0.000 2.605 1293 N HA 0.228 4.968 4.740 -0.000 0.000 0.277 1293 N C -0.902 174.493 175.510 -0.193 0.000 1.355 1293 N CA -0.150 52.827 53.050 -0.122 0.000 0.849 1293 N CB 0.086 38.495 38.487 -0.130 0.000 1.111 1293 N HN 0.729 nan 8.380 nan 0.000 0.441 1294 D N -0.431 119.750 120.400 -0.365 0.000 2.332 1294 D HA 0.251 4.891 4.640 -0.000 0.000 0.252 1294 D C -0.240 175.693 176.300 -0.612 0.000 1.050 1294 D CA -0.070 53.561 54.000 -0.615 0.000 0.970 1294 D CB 0.464 40.552 40.800 -1.185 0.000 1.141 1294 D HN 0.356 nan 8.370 nan 0.000 0.485 1295 Y N -2.345 117.939 120.300 -0.027 0.000 3.929 1295 Y HA -0.220 4.330 4.550 -0.000 0.000 0.225 1295 Y C 0.138 176.016 175.900 -0.038 0.000 1.200 1295 Y CA -0.311 57.768 58.100 -0.034 0.000 1.791 1295 Y CB -2.642 35.783 38.460 -0.058 0.000 1.561 1295 Y HN 0.041 nan 8.280 nan 0.000 0.657 1296 V N 0.021 119.981 119.914 0.077 0.000 2.694 1296 V HA 0.321 4.441 4.120 -0.000 0.000 0.306 1296 V C 1.619 177.740 176.094 0.046 0.000 1.054 1296 V CA 1.114 63.444 62.300 0.051 0.000 1.161 1296 V CB 0.761 32.616 31.823 0.052 0.000 0.916 1296 V HN 1.152 nan 8.190 nan 0.000 0.490 1297 G N 3.257 112.059 108.800 0.003 0.000 2.168 1297 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.257 1297 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.257 1297 G C 0.356 175.208 174.900 -0.080 0.000 0.997 1297 G CA 0.595 45.677 45.100 -0.029 0.000 0.708 1297 G HN 1.084 nan 8.290 nan 0.000 0.520 1298 K N 0.212 120.548 120.400 -0.108 0.000 2.504 1298 K HA 0.363 4.683 4.320 -0.000 0.000 0.278 1298 K C 1.559 177.909 176.600 -0.417 0.000 1.025 1298 K CA 1.000 57.175 56.287 -0.188 0.000 1.093 1298 K CB -0.266 32.102 32.500 -0.220 0.000 0.873 1298 K HN 1.608 nan 8.250 nan 0.000 0.483 1299 G N 3.314 111.961 108.800 -0.255 0.000 2.258 1299 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.274 1299 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.274 1299 G C -0.042 174.867 174.900 0.015 0.000 1.021 1299 G CA 0.174 45.219 45.100 -0.092 0.000 0.798 1299 G HN 0.637 nan 8.290 nan 0.000 0.507 1300 L N 0.753 121.952 121.223 -0.040 0.000 2.593 1300 L HA 0.416 4.756 4.340 -0.000 0.000 0.287 1300 L C 1.122 178.023 176.870 0.052 0.000 1.243 1300 L CA 1.473 56.316 54.840 0.004 0.000 0.890 1300 L CB 1.172 43.228 42.059 -0.005 0.000 1.134 1300 L HN 0.520 nan 8.230 nan 0.000 0.502 1301 S N 2.781 118.516 115.700 0.058 0.000 2.665 1301 S HA 0.541 5.011 4.470 -0.000 0.000 0.235 1301 S C 0.525 175.103 174.600 -0.036 0.000 1.084 1301 S CA 0.166 58.391 58.200 0.043 0.000 1.151 1301 S CB -0.622 62.617 63.200 0.065 0.000 1.151 1301 S HN 1.423 nan 8.310 nan 0.000 0.461 1302 G N 0.170 108.992 108.800 0.036 0.000 2.184 1302 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.206 1302 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.206 1302 G C 0.496 175.418 174.900 0.037 0.000 0.995 1302 G CA -0.161 44.970 45.100 0.052 0.000 0.651 1302 G HN 1.083 nan 8.290 nan 0.000 0.511 1303 G N -0.778 108.038 108.800 0.027 0.000 2.502 1303 G HA2 0.642 4.602 3.960 -0.000 0.000 0.305 1303 G HA3 0.642 4.602 3.960 -0.000 0.000 0.305 1303 G C -0.397 174.539 174.900 0.061 0.000 1.190 1303 G CA 0.416 45.540 45.100 0.040 0.000 0.933 1303 G HN 0.588 nan 8.290 nan 0.000 0.503 1304 T N 0.297 114.897 114.554 0.076 0.000 2.824 1304 T HA 0.566 4.915 4.350 -0.000 0.000 0.282 1304 T C -0.384 174.374 174.700 0.098 0.000 0.993 1304 T CA -0.050 62.109 62.100 0.098 0.000 0.967 1304 T CB 1.263 70.216 68.868 0.143 0.000 0.960 1304 T HN 0.329 nan 8.240 nan 0.000 0.441 1305 I N 2.444 123.071 120.570 0.096 0.000 2.545 1305 I HA 0.641 4.811 4.170 -0.000 0.000 0.292 1305 I C -0.840 175.364 176.117 0.145 0.000 1.040 1305 I CA -1.100 60.258 61.300 0.097 0.000 1.068 1305 I CB 2.182 40.221 38.000 0.065 0.000 1.251 1305 I HN 0.265 nan 8.210 nan 0.000 0.424 1306 V N 6.296 126.297 119.914 0.146 0.000 2.709 1306 V HA 0.562 4.682 4.120 -0.000 0.000 0.308 1306 V C -0.674 175.488 176.094 0.112 0.000 1.062 1306 V CA -0.675 61.730 62.300 0.175 0.000 0.901 1306 V CB 2.580 34.495 31.823 0.153 0.000 1.003 1306 V HN 0.408 nan 8.190 nan 0.000 0.425 1307 V N 5.390 125.369 119.914 0.110 0.000 2.612 1307 V HA 0.687 4.807 4.120 -0.000 0.000 0.301 1307 V C -0.437 175.691 176.094 0.057 0.000 1.059 1307 V CA -0.702 61.640 62.300 0.071 0.000 0.886 1307 V CB 1.955 33.818 31.823 0.067 0.000 1.007 1307 V HN 1.042 nan 8.190 nan 0.000 0.426 1308 R N 3.841 124.359 120.500 0.030 0.000 2.740 1308 R HA 0.773 5.113 4.340 -0.000 0.000 0.273 1308 R C -3.262 173.042 176.300 0.006 0.000 0.998 1308 R CA -2.005 54.103 56.100 0.012 0.000 0.900 1308 R CB 1.992 32.286 30.300 -0.011 0.000 1.223 1308 R HN 0.331 nan 8.270 nan 0.000 0.466 1309 P HA 0.046 nan 4.420 nan 0.000 0.272 1309 P C -0.494 176.804 177.300 -0.002 0.000 1.254 1309 P CA -0.137 62.962 63.100 -0.001 0.000 0.795 1309 P CB 0.397 32.095 31.700 -0.004 0.000 1.022 1310 T N -0.119 114.435 114.554 -0.001 0.000 2.913 1310 T HA 0.032 4.382 4.350 -0.000 0.000 0.297 1310 T C 1.549 176.247 174.700 -0.004 0.000 1.029 1310 T CA 0.153 62.252 62.100 -0.002 0.000 1.104 1310 T CB 0.176 69.045 68.868 0.000 0.000 0.964 1310 T HN 0.409 nan 8.240 nan 0.000 0.532 1311 T N 1.167 115.718 114.554 -0.006 0.000 2.977 1311 T HA -0.110 4.240 4.350 -0.000 0.000 0.271 1311 T C 1.793 176.490 174.700 -0.004 0.000 1.105 1311 T CA 1.480 63.576 62.100 -0.007 0.000 1.116 1311 T CB -0.365 68.497 68.868 -0.009 0.000 0.878 1311 T HN 0.675 nan 8.240 nan 0.000 0.509 1312 S N -0.421 115.277 115.700 -0.003 0.000 2.539 1312 S HA 0.309 4.779 4.470 -0.000 0.000 0.221 1312 S C 0.747 175.347 174.600 0.000 0.000 0.987 1312 S CA -0.183 58.016 58.200 -0.001 0.000 0.929 1312 S CB 0.114 63.314 63.200 -0.001 0.000 0.832 1312 S HN 0.336 nan 8.310 nan 0.000 0.492 1313 S N 3.190 118.890 115.700 -0.000 0.000 2.545 1313 S HA 0.394 4.864 4.470 -0.000 0.000 0.275 1313 S C -1.396 173.204 174.600 0.001 0.000 1.299 1313 S CA -1.138 57.062 58.200 0.000 0.000 1.048 1313 S CB 0.995 64.195 63.200 -0.001 0.000 0.938 1313 S HN 0.325 nan 8.310 nan 0.000 0.496 1314 P HA 0.185 nan 4.420 nan 0.000 0.257 1314 P C 0.000 177.301 177.300 0.001 0.000 1.281 1314 P CA -0.065 63.037 63.100 0.003 0.000 0.826 1314 P CB 0.086 31.789 31.700 0.005 0.000 1.237 1315 L N 0.584 121.805 121.223 -0.002 0.000 2.452 1315 L HA 0.151 4.491 4.340 -0.000 0.000 0.267 1315 L C 0.981 177.843 176.870 -0.014 0.000 1.188 1315 L CA -0.049 54.786 54.840 -0.008 0.000 0.821 1315 L CB 0.319 42.370 42.059 -0.013 0.000 1.102 1315 L HN -0.082 nan 8.230 nan 0.000 0.470 1316 E N 1.327 121.512 120.200 -0.024 0.000 1.996 1316 E HA 0.019 4.369 4.350 -0.000 0.000 0.280 1316 E C 0.748 177.306 176.600 -0.069 0.000 1.092 1316 E CA -0.168 56.208 56.400 -0.039 0.000 0.862 1316 E CB 1.068 30.739 29.700 -0.049 0.000 1.066 1316 E HN 0.614 nan 8.360 nan 0.000 0.396 1317 T N 3.644 118.168 114.554 -0.051 0.000 2.616 1317 T HA -0.314 4.036 4.350 -0.000 0.000 0.261 1317 T C 1.293 175.917 174.700 -0.127 0.000 1.105 1317 T CA 2.543 64.609 62.100 -0.057 0.000 1.159 1317 T CB -0.278 68.586 68.868 -0.006 0.000 0.856 1317 T HN 0.717 nan 8.240 nan 0.000 0.449 1318 N N -0.350 118.188 118.700 -0.269 0.000 2.383 1318 N HA 0.103 4.843 4.740 -0.000 0.000 0.192 1318 N C 1.024 176.367 175.510 -0.278 0.000 1.141 1318 N CA 0.075 52.898 53.050 -0.377 0.000 0.851 1318 N CB 0.151 38.091 38.487 -0.913 0.000 0.976 1318 N HN 0.309 nan 8.380 nan 0.000 0.465 1319 K N -0.409 119.879 120.400 -0.187 0.000 2.399 1319 K HA 0.217 4.537 4.320 -0.000 0.000 0.204 1319 K C -0.507 176.038 176.600 -0.091 0.000 1.023 1319 K CA -0.243 55.967 56.287 -0.127 0.000 1.127 1319 K CB 0.258 32.701 32.500 -0.095 0.000 0.856 1319 K HN 0.222 nan 8.250 nan 0.000 0.514 1320 N N 0.328 118.971 118.700 -0.096 0.000 2.357 1320 N HA 0.232 4.972 4.740 -0.000 0.000 0.284 1320 N C -0.821 174.632 175.510 -0.095 0.000 1.236 1320 N CA -0.470 52.529 53.050 -0.085 0.000 0.774 1320 N CB 2.041 40.489 38.487 -0.065 0.000 1.534 1320 N HN -0.215 nan 8.380 nan 0.000 0.478 1321 T N 0.852 115.339 114.554 -0.112 0.000 2.868 1321 T HA 0.362 4.712 4.350 -0.000 0.000 0.292 1321 T C 1.227 175.876 174.700 -0.084 0.000 1.028 1321 T CA -0.078 61.956 62.100 -0.110 0.000 1.059 1321 T CB 0.914 69.697 68.868 -0.143 0.000 0.991 1321 T HN 0.511 nan 8.240 nan 0.000 0.531 1322 I N 0.636 121.166 120.570 -0.066 0.000 5.157 1322 I HA 0.347 4.517 4.170 -0.000 0.000 0.350 1322 I C -0.629 175.469 176.117 -0.032 0.000 1.233 1322 I CA -0.071 61.204 61.300 -0.042 0.000 1.476 1322 I CB 0.538 38.525 38.000 -0.021 0.000 1.619 1322 I HN 0.605 nan 8.210 nan 0.000 0.557 1323 I N -2.387 118.162 120.570 -0.036 0.000 3.042 1323 I HA 0.739 4.909 4.170 -0.000 0.000 0.310 1323 I C 0.603 176.697 176.117 -0.039 0.000 1.117 1323 I CA -0.780 60.505 61.300 -0.025 0.000 1.003 1323 I CB 1.457 39.464 38.000 0.012 0.000 1.228 1323 I HN -0.096 nan 8.210 nan 0.000 0.443 1324 G N 2.254 111.022 108.800 -0.052 0.000 3.152 1324 G HA2 0.252 4.212 3.960 -0.000 0.000 0.157 1324 G HA3 0.252 4.212 3.960 -0.000 0.000 0.157 1324 G C -0.385 174.494 174.900 -0.035 0.000 1.786 1324 G CA -0.210 44.844 45.100 -0.077 0.000 1.055 1324 G HN 0.661 nan 8.290 nan 0.000 0.528 1325 N N -1.278 117.379 118.700 -0.071 0.000 2.292 1325 N HA 0.434 5.173 4.740 -0.000 0.000 0.303 1325 N C -0.266 175.284 175.510 0.066 0.000 1.140 1325 N CA -0.191 52.865 53.050 0.009 0.000 0.788 1325 N CB 1.496 39.984 38.487 0.003 0.000 1.361 1325 N HN 0.382 nan 8.380 nan 0.000 0.489 1326 T N -1.121 113.504 114.554 0.118 0.000 4.146 1326 T HA -0.138 4.212 4.350 -0.000 0.000 0.336 1326 T C 0.147 174.958 174.700 0.185 0.000 0.762 1326 T CA 0.435 62.606 62.100 0.119 0.000 1.914 1326 T CB -1.544 67.415 68.868 0.151 0.000 1.897 1326 T HN 0.331 nan 8.240 nan 0.000 0.862 1327 V N 1.247 121.264 119.914 0.171 0.000 2.763 1327 V HA 0.115 4.235 4.120 -0.000 0.000 0.306 1327 V C 1.690 177.836 176.094 0.087 0.000 1.059 1327 V CA 0.790 63.189 62.300 0.165 0.000 1.138 1327 V CB 0.690 32.673 31.823 0.267 0.000 0.940 1327 V HN 0.736 nan 8.190 nan 0.000 0.489 1328 L N 3.383 124.643 121.223 0.061 0.000 4.001 1328 L HA -0.219 4.121 4.340 -0.000 0.000 0.413 1328 L C 0.180 177.065 176.870 0.025 0.000 1.185 1328 L CA 0.082 54.920 54.840 -0.003 0.000 0.963 1328 L CB -1.345 40.664 42.059 -0.083 0.000 1.976 1328 L HN 0.772 nan 8.230 nan 0.000 0.939 1329 Y N 1.778 122.029 120.300 -0.082 0.000 2.754 1329 Y HA 0.372 4.922 4.550 -0.000 0.000 0.349 1329 Y C 1.317 177.160 175.900 -0.096 0.000 1.179 1329 Y CA 0.590 58.633 58.100 -0.094 0.000 1.538 1329 Y CB 0.137 38.546 38.460 -0.084 0.000 1.200 1329 Y HN 0.283 nan 8.280 nan 0.000 0.522 1330 G N 3.721 112.406 108.800 -0.192 0.000 2.157 1330 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.248 1330 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.248 1330 G C 0.462 175.253 174.900 -0.182 0.000 0.979 1330 G CA -0.003 44.901 45.100 -0.326 0.000 0.650 1330 G HN 1.276 nan 8.290 nan 0.000 0.529 1331 A N -0.235 122.518 122.820 -0.112 0.000 2.536 1331 A HA 0.578 4.898 4.320 -0.000 0.000 0.234 1331 A C 1.595 179.131 177.584 -0.080 0.000 1.076 1331 A CA 1.972 53.967 52.037 -0.069 0.000 0.769 1331 A CB 0.219 19.190 19.000 -0.048 0.000 1.020 1331 A HN 1.731 nan 8.150 nan 0.000 0.508 1332 T N -2.624 111.897 114.554 -0.055 0.000 2.969 1332 T HA 0.598 4.948 4.350 -0.000 0.000 0.258 1332 T C 0.171 174.923 174.700 0.086 0.000 0.962 1332 T CA 0.795 62.848 62.100 -0.079 0.000 0.903 1332 T CB -0.014 68.714 68.868 -0.233 0.000 1.177 1332 T HN 2.211 nan 8.240 nan 0.000 0.511 1333 A N -0.494 122.386 122.820 0.101 0.000 2.590 1333 A HA 0.792 5.111 4.320 -0.000 0.000 0.294 1333 A C 0.038 177.694 177.584 0.120 0.000 1.046 1333 A CA -0.164 51.971 52.037 0.163 0.000 0.684 1333 A CB 0.731 19.921 19.000 0.316 0.000 1.279 1333 A HN 1.663 nan 8.150 nan 0.000 0.415 1334 G N 0.138 109.011 108.800 0.122 0.000 2.423 1334 G HA2 0.380 4.340 3.960 -0.000 0.000 0.684 1334 G HA3 0.380 4.340 3.960 -0.000 0.000 0.684 1334 G C -1.106 173.817 174.900 0.039 0.000 1.309 1334 G CA -0.396 44.758 45.100 0.090 0.000 0.950 1334 G HN 0.853 nan 8.290 nan 0.000 0.587 1335 K N -0.990 119.417 120.400 0.012 0.000 2.156 1335 K HA 0.827 5.147 4.320 -0.000 0.000 0.250 1335 K C -0.705 175.782 176.600 -0.189 0.000 0.955 1335 K CA -0.822 55.389 56.287 -0.126 0.000 0.855 1335 K CB 2.066 34.553 32.500 -0.021 0.000 1.101 1335 K HN 0.836 nan 8.250 nan 0.000 0.434 1336 L N 2.160 123.144 121.223 -0.399 0.000 2.470 1336 L HA 0.560 4.900 4.340 -0.000 0.000 0.268 1336 L C -2.022 174.585 176.870 -0.437 0.000 0.964 1336 L CA -0.240 54.456 54.840 -0.240 0.000 0.839 1336 L CB 1.042 43.066 42.059 -0.059 0.000 1.276 1336 L HN 0.480 nan 8.230 nan 0.000 0.403 1337 F N 4.256 124.304 119.950 0.163 0.000 2.518 1337 F HA 0.840 5.367 4.527 -0.000 0.000 0.323 1337 F C 0.164 176.081 175.800 0.195 0.000 1.129 1337 F CA -0.418 57.720 58.000 0.230 0.000 0.920 1337 F CB 2.342 41.453 39.000 0.186 0.000 1.160 1337 F HN 0.652 nan 8.300 nan 0.000 0.440 1338 A N 2.077 125.152 122.820 0.425 0.000 2.411 1338 A HA 0.703 5.023 4.320 -0.000 0.000 0.285 1338 A C -0.189 177.578 177.584 0.305 0.000 1.129 1338 A CA -0.657 51.545 52.037 0.275 0.000 0.736 1338 A CB 0.721 19.816 19.000 0.158 0.000 1.186 1338 A HN 0.949 nan 8.150 nan 0.000 0.445 1339 A N 2.087 125.021 122.820 0.189 0.000 3.065 1339 A HA 0.519 4.839 4.320 -0.000 0.000 0.262 1339 A C 0.958 178.598 177.584 0.092 0.000 1.901 1339 A CA 0.960 53.092 52.037 0.159 0.000 1.475 1339 A CB -1.128 17.899 19.000 0.047 0.000 0.984 1339 A HN 2.269 nan 8.150 nan 0.000 0.618 1340 G N -0.665 108.181 108.800 0.076 0.000 2.320 1340 G HA2 0.407 4.367 3.960 -0.000 0.000 0.296 1340 G HA3 0.407 4.367 3.960 -0.000 0.000 0.296 1340 G C -1.192 173.678 174.900 -0.051 0.000 1.306 1340 G CA -0.925 44.168 45.100 -0.012 0.000 0.836 1340 G HN 0.410 nan 8.290 nan 0.000 0.517 1341 Q N -0.476 119.269 119.800 -0.091 0.000 2.306 1341 Q HA 0.637 4.977 4.340 -0.000 0.000 0.241 1341 Q C 0.261 176.183 176.000 -0.130 0.000 0.948 1341 Q CA -0.148 55.578 55.803 -0.129 0.000 0.886 1341 Q CB 1.793 30.456 28.738 -0.125 0.000 1.227 1341 Q HN 0.878 nan 8.270 nan 0.000 0.457 1342 A N 0.883 123.591 122.820 -0.187 0.000 2.282 1342 A HA 0.852 5.172 4.320 -0.000 0.000 0.324 1342 A C 0.054 177.582 177.584 -0.093 0.000 1.119 1342 A CA 0.050 52.002 52.037 -0.142 0.000 0.880 1342 A CB 1.119 19.979 19.000 -0.234 0.000 1.294 1342 A HN 0.775 nan 8.150 nan 0.000 0.493 1343 G N -0.948 107.837 108.800 -0.026 0.000 3.134 1343 G HA2 0.511 4.471 3.960 -0.000 0.000 0.158 1343 G HA3 0.511 4.471 3.960 -0.000 0.000 0.158 1343 G C -0.522 174.411 174.900 0.055 0.000 1.334 1343 G CA -0.283 44.815 45.100 -0.003 0.000 1.001 1343 G HN 0.655 nan 8.290 nan 0.000 0.600 1344 E N 0.051 120.296 120.200 0.076 0.000 2.404 1344 E HA 0.339 4.689 4.350 -0.000 0.000 0.261 1344 E C 0.247 176.934 176.600 0.145 0.000 1.074 1344 E CA 0.063 56.530 56.400 0.113 0.000 0.917 1344 E CB 0.299 30.069 29.700 0.117 0.000 0.965 1344 E HN 0.380 nan 8.360 nan 0.000 0.433 1345 R N 1.286 121.875 120.500 0.148 0.000 3.109 1345 R HA -0.250 4.090 4.340 -0.000 0.000 0.241 1345 R C -0.506 175.879 176.300 0.141 0.000 0.882 1345 R CA 0.143 56.311 56.100 0.114 0.000 0.604 1345 R CB -1.877 28.467 30.300 0.074 0.000 1.040 1345 R HN 0.341 nan 8.270 nan 0.000 0.480 1346 F N 0.779 120.750 119.950 0.036 0.000 2.456 1346 F HA 0.340 4.867 4.527 -0.000 0.000 0.358 1346 F C 1.230 177.053 175.800 0.038 0.000 1.095 1346 F CA 0.156 58.182 58.000 0.044 0.000 1.216 1346 F CB 0.781 39.819 39.000 0.064 0.000 1.125 1346 F HN 0.422 nan 8.300 nan 0.000 0.549 1347 A N 3.548 126.020 122.820 -0.580 0.000 3.172 1347 A HA -0.236 4.084 4.320 -0.000 0.000 0.263 1347 A C 0.462 177.900 177.584 -0.244 0.000 1.215 1347 A CA 0.639 52.306 52.037 -0.617 0.000 1.065 1347 A CB -2.682 15.710 19.000 -1.014 0.000 1.148 1347 A HN 1.548 nan 8.150 nan 0.000 0.904 1348 V N 0.893 120.732 119.914 -0.126 0.000 2.752 1348 V HA 0.208 4.328 4.120 -0.000 0.000 0.306 1348 V C 1.620 177.747 176.094 0.055 0.000 1.099 1348 V CA 1.677 63.948 62.300 -0.049 0.000 1.240 1348 V CB -0.314 31.416 31.823 -0.155 0.000 0.887 1348 V HN 0.878 nan 8.190 nan 0.000 0.499 1349 R N 2.206 122.759 120.500 0.089 0.000 3.847 1349 R HA -0.208 4.132 4.340 -0.000 0.000 0.304 1349 R C 0.507 176.805 176.300 -0.004 0.000 1.203 1349 R CA 0.931 57.069 56.100 0.064 0.000 0.835 1349 R CB -1.642 28.676 30.300 0.030 0.000 1.253 1349 R HN 0.960 nan 8.270 nan 0.000 0.516 1350 N N 0.751 119.428 118.700 -0.038 0.000 2.414 1350 N HA -0.038 4.702 4.740 -0.000 0.000 0.268 1350 N C -0.059 175.434 175.510 -0.028 0.000 1.286 1350 N CA 0.780 53.792 53.050 -0.063 0.000 0.896 1350 N CB 0.709 39.130 38.487 -0.111 0.000 1.093 1350 N HN 0.049 nan 8.380 nan 0.000 0.480 1351 S N 2.259 117.939 115.700 -0.033 0.000 2.552 1351 S HA 0.392 4.862 4.470 -0.000 0.000 0.246 1351 S C 0.761 175.387 174.600 0.043 0.000 1.019 1351 S CA 0.071 58.275 58.200 0.007 0.000 1.045 1351 S CB -0.121 63.073 63.200 -0.009 0.000 0.784 1351 S HN 0.845 nan 8.310 nan 0.000 0.453 1352 G N 0.462 109.283 108.800 0.035 0.000 2.665 1352 G HA2 0.203 4.163 3.960 -0.000 0.000 0.220 1352 G HA3 0.203 4.163 3.960 -0.000 0.000 0.220 1352 G C -0.118 174.820 174.900 0.063 0.000 1.002 1352 G CA -0.134 45.011 45.100 0.076 0.000 0.893 1352 G HN 0.608 nan 8.290 nan 0.000 0.586 1353 A N -0.121 122.714 122.820 0.024 0.000 2.281 1353 A HA 0.940 5.260 4.320 -0.000 0.000 0.329 1353 A C 0.129 177.718 177.584 0.009 0.000 1.122 1353 A CA -0.179 51.867 52.037 0.015 0.000 0.850 1353 A CB 1.329 20.318 19.000 -0.018 0.000 1.207 1353 A HN 0.511 nan 8.150 nan 0.000 0.495 1354 T N 0.673 115.225 114.554 -0.004 0.000 2.829 1354 T HA 0.623 4.973 4.350 -0.000 0.000 0.280 1354 T C -0.707 173.940 174.700 -0.089 0.000 0.999 1354 T CA -0.297 61.804 62.100 0.001 0.000 0.983 1354 T CB 1.162 70.044 68.868 0.024 0.000 0.968 1354 T HN 0.807 nan 8.240 nan 0.000 0.446 1355 V N 1.821 121.713 119.914 -0.036 0.000 3.012 1355 V HA 0.726 4.846 4.120 -0.000 0.000 0.307 1355 V C -0.857 175.278 176.094 0.067 0.000 1.166 1355 V CA -0.967 61.297 62.300 -0.060 0.000 0.974 1355 V CB 2.083 33.989 31.823 0.137 0.000 1.040 1355 V HN 0.683 nan 8.190 nan 0.000 0.428 1356 V N 2.772 122.719 119.914 0.056 0.000 2.656 1356 V HA 0.856 4.976 4.120 -0.000 0.000 0.307 1356 V C -0.609 175.540 176.094 0.092 0.000 1.051 1356 V CA -0.527 61.837 62.300 0.107 0.000 0.893 1356 V CB 2.078 33.987 31.823 0.142 0.000 0.999 1356 V HN 0.716 nan 8.190 nan 0.000 0.426 1357 V N 2.721 122.633 119.914 -0.004 0.000 3.178 1357 V HA 0.409 4.529 4.120 -0.000 0.000 0.302 1357 V C -0.100 175.963 176.094 -0.051 0.000 1.262 1357 V CA -0.550 61.735 62.300 -0.024 0.000 1.030 1357 V CB 2.763 34.456 31.823 -0.216 0.000 1.074 1357 V HN 0.982 nan 8.190 nan 0.000 0.438 1358 E N 2.013 122.200 120.200 -0.021 0.000 2.437 1358 E HA 0.513 4.863 4.350 -0.000 0.000 0.195 1358 E C 0.408 176.962 176.600 -0.077 0.000 1.029 1358 E CA 0.484 56.885 56.400 0.001 0.000 0.948 1358 E CB 1.045 30.770 29.700 0.043 0.000 1.082 1358 E HN 0.870 nan 8.360 nan 0.000 0.456 1359 G N 0.815 109.536 108.800 -0.131 0.000 2.341 1359 G HA2 0.284 4.244 3.960 -0.000 0.000 0.293 1359 G HA3 0.284 4.244 3.960 -0.000 0.000 0.293 1359 G C -1.580 173.183 174.900 -0.229 0.000 1.298 1359 G CA -0.342 44.666 45.100 -0.153 0.000 0.868 1359 G HN 0.341 nan 8.290 nan 0.000 0.540 1360 C N -0.762 118.422 119.300 -0.193 0.000 3.249 1360 C HA 0.826 5.286 4.460 -0.000 0.000 0.358 1360 C C 1.030 175.966 174.990 -0.089 0.000 1.187 1360 C CA 0.555 59.457 59.018 -0.194 0.000 1.170 1360 C CB 1.033 28.604 27.740 -0.282 0.000 1.478 1360 C HN 2.496 nan 8.230 nan 0.000 0.508 1361 G N 2.111 110.891 108.800 -0.034 0.000 2.418 1361 G HA2 0.480 4.440 3.960 -0.000 0.000 0.276 1361 G HA3 0.480 4.440 3.960 -0.000 0.000 0.276 1361 G C 0.465 175.393 174.900 0.047 0.000 1.442 1361 G CA 0.511 45.617 45.100 0.008 0.000 1.066 1361 G HN 2.188 nan 8.290 nan 0.000 0.553 1362 S N -2.108 113.634 115.700 0.070 0.000 2.686 1362 S HA 0.216 4.686 4.470 -0.000 0.000 0.270 1362 S C 0.541 175.215 174.600 0.123 0.000 1.194 1362 S CA 0.301 58.559 58.200 0.097 0.000 0.990 1362 S CB 0.475 63.731 63.200 0.093 0.000 1.029 1362 S HN 0.789 nan 8.310 nan 0.000 0.560 1363 N N -0.190 118.579 118.700 0.115 0.000 2.727 1363 N HA -0.128 4.612 4.740 -0.000 0.000 0.249 1363 N C 0.268 175.821 175.510 0.071 0.000 1.048 1363 N CA 0.141 53.234 53.050 0.073 0.000 0.714 1363 N CB -1.490 37.037 38.487 0.068 0.000 0.959 1363 N HN 0.913 nan 8.380 nan 0.000 0.544 1364 G N -0.985 107.908 108.800 0.155 0.000 2.503 1364 G HA2 0.318 4.278 3.960 -0.000 0.000 0.257 1364 G HA3 0.318 4.278 3.960 -0.000 0.000 0.257 1364 G C 0.975 175.767 174.900 -0.179 0.000 1.214 1364 G CA 0.273 45.488 45.100 0.191 0.000 0.839 1364 G HN 0.623 nan 8.290 nan 0.000 0.559 1365 C N -0.209 119.004 119.300 -0.145 0.000 4.167 1365 C HA -0.154 4.306 4.460 -0.000 0.000 0.293 1365 C C 1.157 175.981 174.990 -0.277 0.000 1.489 1365 C CA 1.006 59.850 59.018 -0.289 0.000 2.041 1365 C CB -2.611 24.857 27.740 -0.452 0.000 1.287 1365 C HN 0.956 nan 8.230 nan 0.000 0.791 1366 E N -0.342 119.724 120.200 -0.222 0.000 2.392 1366 E HA 0.263 4.612 4.350 -0.000 0.000 0.264 1366 E C 0.532 177.076 176.600 -0.094 0.000 1.024 1366 E CA -0.320 55.917 56.400 -0.272 0.000 0.903 1366 E CB 0.223 29.735 29.700 -0.314 0.000 0.963 1366 E HN 0.566 nan 8.360 nan 0.000 0.432 1367 Y N 0.488 120.732 120.300 -0.093 0.000 3.617 1367 Y HA -0.312 4.238 4.550 -0.000 0.000 0.215 1367 Y C 0.458 176.331 175.900 -0.045 0.000 1.178 1367 Y CA 0.628 58.699 58.100 -0.047 0.000 1.517 1367 Y CB -1.957 36.493 38.460 -0.018 0.000 1.457 1367 Y HN 0.588 nan 8.280 nan 0.000 0.615 1368 M N 0.042 119.663 119.600 0.034 0.000 2.233 1368 M HA 0.217 4.697 4.480 -0.000 0.000 0.350 1368 M C 0.758 177.075 176.300 0.029 0.000 1.176 1368 M CA 0.815 56.118 55.300 0.005 0.000 1.150 1368 M CB 0.884 33.443 32.600 -0.069 0.000 1.530 1368 M HN 0.213 nan 8.290 nan 0.000 0.459 1369 T N 2.890 117.469 114.554 0.042 0.000 3.275 1369 T HA 0.476 4.826 4.350 -0.000 0.000 0.298 1369 T C -0.352 174.375 174.700 0.045 0.000 0.988 1369 T CA 0.165 62.296 62.100 0.051 0.000 0.936 1369 T CB 0.294 69.215 68.868 0.089 0.000 1.159 1369 T HN 0.959 nan 8.240 nan 0.000 0.519 1370 G N -0.631 108.189 108.800 0.033 0.000 2.328 1370 G HA2 0.524 4.484 3.960 -0.000 0.000 0.299 1370 G HA3 0.524 4.484 3.960 -0.000 0.000 0.299 1370 G C -0.299 174.622 174.900 0.036 0.000 1.435 1370 G CA 0.199 45.325 45.100 0.044 0.000 0.865 1370 G HN 0.677 nan 8.290 nan 0.000 0.601 1371 G N -1.625 107.206 108.800 0.051 0.000 2.685 1371 G HA2 0.490 4.449 3.960 -0.000 0.000 0.387 1371 G HA3 0.490 4.449 3.960 -0.000 0.000 0.387 1371 G C -0.317 174.619 174.900 0.061 0.000 1.324 1371 G CA 0.446 45.578 45.100 0.052 0.000 0.878 1371 G HN 1.922 nan 8.290 nan 0.000 0.527 1372 T N -0.260 114.343 114.554 0.081 0.000 2.900 1372 T HA 0.854 5.204 4.350 -0.000 0.000 0.295 1372 T C -0.056 174.727 174.700 0.138 0.000 1.044 1372 T CA 0.342 62.522 62.100 0.133 0.000 0.995 1372 T CB 2.028 71.007 68.868 0.185 0.000 1.072 1372 T HN 2.135 nan 8.240 nan 0.000 0.473 1373 A N 2.257 125.196 122.820 0.198 0.000 2.522 1373 A HA 0.672 4.992 4.320 -0.000 0.000 0.285 1373 A C -0.364 177.437 177.584 0.363 0.000 1.198 1373 A CA -0.610 51.579 52.037 0.252 0.000 0.742 1373 A CB 0.435 19.570 19.000 0.225 0.000 1.176 1373 A HN 0.683 nan 8.150 nan 0.000 0.444 1374 V N 2.645 122.770 119.914 0.352 0.000 2.785 1374 V HA 0.480 4.600 4.120 -0.000 0.000 0.300 1374 V C 0.138 176.418 176.094 0.311 0.000 1.062 1374 V CA -0.182 62.348 62.300 0.382 0.000 1.029 1374 V CB 1.314 33.305 31.823 0.279 0.000 1.024 1374 V HN 0.690 nan 8.190 nan 0.000 0.477 1375 I N 4.136 124.891 120.570 0.308 0.000 2.560 1375 I HA 0.240 4.410 4.170 -0.000 0.000 0.278 1375 I C 0.129 176.336 176.117 0.150 0.000 1.089 1375 I CA -0.329 61.077 61.300 0.176 0.000 1.086 1375 I CB 1.690 39.777 38.000 0.145 0.000 1.202 1375 I HN 0.472 nan 8.210 nan 0.000 0.471 1376 L N 5.901 127.194 121.223 0.116 0.000 3.062 1376 L HA 0.220 4.560 4.340 -0.000 0.000 0.264 1376 L C 0.896 177.892 176.870 0.210 0.000 1.242 1376 L CA 0.133 55.068 54.840 0.159 0.000 1.072 1376 L CB -1.169 41.029 42.059 0.232 0.000 1.420 1376 L HN 0.840 nan 8.230 nan 0.000 0.412 1377 G N -0.765 108.113 108.800 0.130 0.000 2.323 1377 G HA2 0.181 4.140 3.960 -0.000 0.000 0.291 1377 G HA3 0.181 4.140 3.960 -0.000 0.000 0.291 1377 G C -1.219 173.662 174.900 -0.033 0.000 1.278 1377 G CA -1.056 44.102 45.100 0.097 0.000 0.860 1377 G HN 0.069 nan 8.290 nan 0.000 0.504 1378 R N -1.033 119.418 120.500 -0.082 0.000 2.697 1378 R HA 0.420 4.760 4.340 -0.000 0.000 0.265 1378 R C -0.333 175.818 176.300 -0.249 0.000 1.009 1378 R CA 0.401 56.393 56.100 -0.179 0.000 1.099 1378 R CB 0.389 30.583 30.300 -0.177 0.000 0.965 1378 R HN 0.477 nan 8.270 nan 0.000 0.428 1379 V N 2.908 122.594 119.914 -0.379 0.000 2.823 1379 V HA 0.646 4.766 4.120 -0.000 0.000 0.312 1379 V C 0.466 176.280 176.094 -0.466 0.000 1.072 1379 V CA -0.162 61.916 62.300 -0.370 0.000 0.937 1379 V CB 2.151 33.650 31.823 -0.539 0.000 1.013 1379 V HN 0.986 nan 8.190 nan 0.000 0.430 1380 G N 1.464 110.122 108.800 -0.236 0.000 2.531 1380 G HA2 0.468 4.428 3.960 -0.000 0.000 0.313 1380 G HA3 0.468 4.428 3.960 -0.000 0.000 0.313 1380 G C -0.653 174.279 174.900 0.053 0.000 1.238 1380 G CA -0.552 44.422 45.100 -0.210 0.000 0.994 1380 G HN 0.688 nan 8.290 nan 0.000 0.493 1381 D N -0.476 120.069 120.400 0.241 0.000 2.631 1381 D HA -0.112 4.528 4.640 -0.000 0.000 0.225 1381 D C 1.132 177.540 176.300 0.181 0.000 1.189 1381 D CA 1.476 55.641 54.000 0.275 0.000 0.871 1381 D CB 0.172 41.084 40.800 0.187 0.000 1.224 1381 D HN 0.596 nan 8.370 nan 0.000 0.510 1382 N N 0.777 119.562 118.700 0.142 0.000 2.727 1382 N HA -0.262 4.478 4.740 -0.000 0.000 0.249 1382 N C -0.773 174.795 175.510 0.097 0.000 1.048 1382 N CA -0.292 52.806 53.050 0.080 0.000 0.714 1382 N CB -0.820 37.691 38.487 0.040 0.000 0.959 1382 N HN 0.287 nan 8.380 nan 0.000 0.544 1383 F N 0.780 120.723 119.950 -0.012 0.000 2.471 1383 F HA 0.378 4.905 4.527 -0.000 0.000 0.353 1383 F C 1.393 177.162 175.800 -0.050 0.000 1.113 1383 F CA 0.951 58.936 58.000 -0.025 0.000 1.262 1383 F CB 0.776 39.754 39.000 -0.036 0.000 1.146 1383 F HN 0.303 nan 8.300 nan 0.000 0.578 1384 A N 3.086 125.425 122.820 -0.800 0.000 3.601 1384 A HA -0.186 4.134 4.320 -0.000 0.000 0.266 1384 A C 0.902 178.300 177.584 -0.309 0.000 1.077 1384 A CA 0.675 52.343 52.037 -0.616 0.000 1.228 1384 A CB -2.673 16.034 19.000 -0.489 0.000 1.099 1384 A HN 2.132 nan 8.150 nan 0.000 0.916 1385 A N -0.216 122.459 122.820 -0.241 0.000 2.558 1385 A HA 0.511 4.831 4.320 -0.000 0.000 0.262 1385 A C 2.317 179.721 177.584 -0.301 0.000 1.049 1385 A CA 1.835 53.740 52.037 -0.221 0.000 0.804 1385 A CB -1.101 17.774 19.000 -0.208 0.000 0.957 1385 A HN 2.699 nan 8.150 nan 0.000 0.520 1386 G N 1.762 110.435 108.800 -0.210 0.000 2.157 1386 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.248 1386 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.248 1386 G C 0.355 175.184 174.900 -0.119 0.000 0.979 1386 G CA 0.298 45.283 45.100 -0.190 0.000 0.650 1386 G HN 1.304 nan 8.290 nan 0.000 0.529 1387 M N 2.134 121.651 119.600 -0.139 0.000 2.455 1387 M HA 0.375 4.855 4.480 -0.000 0.000 0.331 1387 M C 1.110 177.379 176.300 -0.052 0.000 1.481 1387 M CA 0.581 55.820 55.300 -0.102 0.000 1.362 1387 M CB 0.177 32.680 32.600 -0.162 0.000 1.564 1387 M HN -0.003 nan 8.290 nan 0.000 0.458 1388 T N 3.082 117.628 114.554 -0.013 0.000 3.169 1388 T HA 0.312 4.662 4.350 -0.000 0.000 0.250 1388 T C 0.215 174.914 174.700 -0.002 0.000 1.111 1388 T CA 0.634 62.733 62.100 -0.002 0.000 1.010 1388 T CB -0.157 68.722 68.868 0.018 0.000 0.984 1388 T HN 0.906 nan 8.240 nan 0.000 0.537 1389 G N -0.614 108.181 108.800 -0.009 0.000 1.875 1389 G HA2 0.484 4.444 3.960 -0.000 0.000 0.218 1389 G HA3 0.484 4.444 3.960 -0.000 0.000 0.218 1389 G C -0.373 174.526 174.900 -0.002 0.000 1.648 1389 G CA -0.176 44.921 45.100 -0.005 0.000 0.941 1389 G HN 0.470 nan 8.290 nan 0.000 0.689 1390 G N 0.361 109.154 108.800 -0.011 0.000 2.399 1390 G HA2 0.692 4.652 3.960 -0.000 0.000 0.256 1390 G HA3 0.692 4.652 3.960 -0.000 0.000 0.256 1390 G C -1.256 173.628 174.900 -0.026 0.000 1.236 1390 G CA 0.171 45.271 45.100 0.001 0.000 0.914 1390 G HN 1.415 nan 8.290 nan 0.000 0.482 1391 M N -0.238 119.348 119.600 -0.025 0.000 2.569 1391 M HA 0.738 5.218 4.480 -0.000 0.000 0.279 1391 M C -1.699 174.553 176.300 -0.079 0.000 1.253 1391 M CA -0.724 54.512 55.300 -0.106 0.000 0.867 1391 M CB 2.234 34.725 32.600 -0.183 0.000 1.727 1391 M HN 1.709 nan 8.290 nan 0.000 0.467 1392 A N 2.345 125.075 122.820 -0.149 0.000 2.398 1392 A HA 0.759 5.079 4.320 -0.000 0.000 0.301 1392 A C -2.268 175.278 177.584 -0.063 0.000 1.041 1392 A CA -0.407 51.652 52.037 0.037 0.000 0.711 1392 A CB 0.953 20.091 19.000 0.230 0.000 1.240 1392 A HN 0.766 nan 8.150 nan 0.000 0.420 1393 Y N 0.301 120.767 120.300 0.277 0.000 2.496 1393 Y HA 0.678 5.228 4.550 -0.000 0.000 0.331 1393 Y C 0.207 176.346 175.900 0.400 0.000 1.140 1393 Y CA -0.955 57.351 58.100 0.343 0.000 1.166 1393 Y CB 2.148 40.790 38.460 0.303 0.000 1.249 1393 Y HN 0.366 nan 8.280 nan 0.000 0.479 1394 V N 2.109 122.388 119.914 0.609 0.000 2.674 1394 V HA 0.049 4.169 4.120 -0.000 0.000 0.279 1394 V C -1.473 174.752 176.094 0.219 0.000 1.051 1394 V CA -1.007 61.496 62.300 0.339 0.000 0.912 1394 V CB 0.757 32.656 31.823 0.128 0.000 1.044 1394 V HN 0.649 nan 8.190 nan 0.000 0.464 1395 Y N 4.263 124.411 120.300 -0.253 0.000 2.677 1395 Y HA 0.284 4.834 4.550 -0.000 0.000 0.335 1395 Y C 0.408 176.132 175.900 -0.293 0.000 1.162 1395 Y CA 0.604 58.240 58.100 -0.773 0.000 1.483 1395 Y CB 0.545 38.508 38.460 -0.829 0.000 1.209 1395 Y HN 0.726 nan 8.280 nan 0.000 0.528 1396 D N 6.860 126.946 120.400 -0.523 0.000 2.412 1396 D HA 0.093 4.733 4.640 -0.000 0.000 0.276 1396 D C 0.577 176.669 176.300 -0.347 0.000 1.196 1396 D CA -0.221 53.630 54.000 -0.249 0.000 0.905 1396 D CB 0.118 40.992 40.800 0.123 0.000 1.081 1396 D HN 0.753 nan 8.370 nan 0.000 0.502 1397 L N 1.006 121.985 121.223 -0.407 0.000 2.450 1397 L HA -0.125 4.215 4.340 -0.000 0.000 0.225 1397 L C 0.301 177.100 176.870 -0.119 0.000 1.145 1397 L CA 1.248 55.926 54.840 -0.271 0.000 0.801 1397 L CB 0.009 42.000 42.059 -0.115 0.000 0.924 1397 L HN 0.355 nan 8.230 nan 0.000 0.447 1398 D N -1.923 118.445 120.400 -0.053 0.000 2.540 1398 D HA 0.048 4.688 4.640 -0.000 0.000 0.229 1398 D C -0.306 176.025 176.300 0.052 0.000 1.250 1398 D CA -0.118 53.883 54.000 0.001 0.000 0.817 1398 D CB 0.400 41.213 40.800 0.022 0.000 1.060 1398 D HN 0.023 nan 8.370 nan 0.000 0.508 1399 D N 1.124 121.582 120.400 0.097 0.000 2.812 1399 D HA -0.127 4.513 4.640 -0.000 0.000 0.237 1399 D C 0.657 177.064 176.300 0.179 0.000 1.162 1399 D CA 0.993 55.129 54.000 0.227 0.000 0.740 1399 D CB -1.611 39.293 40.800 0.174 0.000 1.000 1399 D HN 0.317 nan 8.370 nan 0.000 0.416 1400 S N -1.606 114.188 115.700 0.156 0.000 2.604 1400 S HA 0.037 4.507 4.470 -0.000 0.000 0.235 1400 S C 1.626 176.286 174.600 0.100 0.000 1.043 1400 S CA -0.398 57.879 58.200 0.127 0.000 0.997 1400 S CB 0.552 63.869 63.200 0.195 0.000 0.956 1400 S HN 0.218 nan 8.310 nan 0.000 0.535 1401 L N 3.618 124.847 121.223 0.010 0.000 2.051 1401 L HA 0.034 4.374 4.340 -0.000 0.000 0.214 1401 L C -1.339 175.293 176.870 -0.397 0.000 1.076 1401 L CA 1.826 56.521 54.840 -0.241 0.000 0.758 1401 L CB -2.029 39.715 42.059 -0.525 0.000 0.890 1401 L HN 0.086 nan 8.230 nan 0.000 0.433 1402 P HA -0.184 nan 4.420 nan 0.000 0.217 1402 P C 1.865 179.045 177.300 -0.201 0.000 1.148 1402 P CA 1.580 64.484 63.100 -0.326 0.000 0.834 1402 P CB -0.066 31.596 31.700 -0.064 0.000 0.783 1403 L N -4.368 116.738 121.223 -0.194 0.000 2.509 1403 L HA 0.026 4.366 4.340 -0.000 0.000 0.222 1403 L C 1.469 178.078 176.870 -0.435 0.000 1.123 1403 L CA 0.677 55.334 54.840 -0.306 0.000 0.856 1403 L CB -0.406 41.400 42.059 -0.422 0.000 0.985 1403 L HN -0.014 nan 8.230 nan 0.000 0.456 1404 Y N -0.649 119.564 120.300 -0.145 0.000 2.442 1404 Y HA 0.291 4.841 4.550 -0.000 0.000 0.250 1404 Y C 0.927 176.777 175.900 -0.084 0.000 1.113 1404 Y CA -0.568 57.469 58.100 -0.104 0.000 1.273 1404 Y CB 0.692 39.081 38.460 -0.118 0.000 1.138 1404 Y HN -0.004 nan 8.280 nan 0.000 0.522 1405 I N 0.566 121.115 120.570 -0.035 0.000 2.677 1405 I HA 0.171 4.341 4.170 -0.000 0.000 0.305 1405 I C 0.010 176.120 176.117 -0.012 0.000 0.988 1405 I CA -0.563 60.725 61.300 -0.021 0.000 1.260 1405 I CB 0.968 38.829 38.000 -0.232 0.000 1.410 1405 I HN -0.035 nan 8.210 nan 0.000 0.523 1406 N N 4.337 123.044 118.700 0.013 0.000 3.044 1406 N HA 0.109 4.849 4.740 -0.000 0.000 0.254 1406 N C 0.373 175.884 175.510 0.001 0.000 1.253 1406 N CA -0.269 52.778 53.050 -0.006 0.000 0.944 1406 N CB 0.200 38.670 38.487 -0.028 0.000 1.217 1406 N HN 0.550 nan 8.380 nan 0.000 0.498 1407 D N 1.158 121.578 120.400 0.033 0.000 2.558 1407 D HA -0.305 4.335 4.640 -0.000 0.000 0.190 1407 D C 1.254 177.575 176.300 0.035 0.000 1.047 1407 D CA 1.373 55.412 54.000 0.065 0.000 0.880 1407 D CB 0.077 40.910 40.800 0.056 0.000 0.926 1407 D HN 0.652 nan 8.370 nan 0.000 0.465 1408 E N -0.317 119.891 120.200 0.012 0.000 2.301 1408 E HA -0.291 4.059 4.350 -0.000 0.000 0.224 1408 E C 1.014 177.615 176.600 0.003 0.000 1.092 1408 E CA 1.916 58.318 56.400 0.003 0.000 0.913 1408 E CB -0.116 29.578 29.700 -0.009 0.000 0.776 1408 E HN 0.342 nan 8.360 nan 0.000 0.465 1409 S N -0.856 114.841 115.700 -0.004 0.000 2.902 1409 S HA 0.415 4.885 4.470 -0.000 0.000 0.250 1409 S C -0.437 174.164 174.600 0.002 0.000 1.046 1409 S CA -0.498 57.699 58.200 -0.005 0.000 1.069 1409 S CB 0.950 64.137 63.200 -0.022 0.000 0.967 1409 S HN 0.042 nan 8.310 nan 0.000 0.530 1410 V N 1.459 121.389 119.914 0.026 0.000 3.282 1410 V HA 0.672 4.792 4.120 -0.000 0.000 0.295 1410 V C -1.661 174.488 176.094 0.092 0.000 1.451 1410 V CA -0.854 61.470 62.300 0.040 0.000 1.062 1410 V CB 2.382 34.216 31.823 0.018 0.000 1.128 1410 V HN 0.642 nan 8.190 nan 0.000 0.456 1411 I N 0.310 120.948 120.570 0.113 0.000 3.174 1411 I HA 0.896 5.066 4.170 -0.000 0.000 0.313 1411 I C -1.574 174.695 176.117 0.254 0.000 1.155 1411 I CA -0.886 60.494 61.300 0.132 0.000 0.977 1411 I CB 2.433 40.449 38.000 0.026 0.000 1.248 1411 I HN 0.614 nan 8.210 nan 0.000 0.453 1412 F N 1.221 121.167 119.950 -0.008 0.000 2.591 1412 F HA 0.807 5.334 4.527 -0.000 0.000 0.309 1412 F C -0.874 175.038 175.800 0.186 0.000 1.098 1412 F CA -0.499 57.522 58.000 0.035 0.000 0.937 1412 F CB 1.264 40.173 39.000 -0.151 0.000 1.250 1412 F HN 0.858 nan 8.300 nan 0.000 0.447 1413 Q N 1.869 121.912 119.800 0.404 0.000 2.511 1413 Q HA 0.590 4.930 4.340 -0.000 0.000 0.289 1413 Q C -1.364 174.855 176.000 0.366 0.000 1.021 1413 Q CA -1.324 54.672 55.803 0.321 0.000 0.785 1413 Q CB 2.194 30.981 28.738 0.083 0.000 1.472 1413 Q HN 0.760 nan 8.270 nan 0.000 0.411 1414 R N 0.817 121.401 120.500 0.140 0.000 2.615 1414 R HA 0.403 4.743 4.340 -0.000 0.000 0.270 1414 R C 0.171 176.494 176.300 0.039 0.000 1.081 1414 R CA -0.445 55.652 56.100 -0.005 0.000 1.154 1414 R CB 0.309 30.503 30.300 -0.178 0.000 1.063 1414 R HN 0.597 nan 8.270 nan 0.000 0.519 1415 I N 1.881 122.485 120.570 0.057 0.000 2.648 1415 I HA -0.087 4.083 4.170 -0.000 0.000 0.284 1415 I C 1.249 177.393 176.117 0.045 0.000 1.153 1415 I CA 0.795 62.156 61.300 0.100 0.000 1.426 1415 I CB 0.525 38.596 38.000 0.119 0.000 1.381 1415 I HN 0.627 nan 8.210 nan 0.000 0.571 1416 E N 3.607 123.841 120.200 0.056 0.000 3.249 1416 E HA 0.135 4.485 4.350 -0.000 0.000 0.184 1416 E C -0.166 176.478 176.600 0.073 0.000 1.163 1416 E CA -0.173 56.242 56.400 0.026 0.000 1.353 1416 E CB 0.253 29.923 29.700 -0.049 0.000 1.466 1416 E HN 0.322 nan 8.360 nan 0.000 0.502 1417 V N 1.842 121.826 119.914 0.116 0.000 2.901 1417 V HA -0.030 4.090 4.120 -0.000 0.000 0.307 1417 V C 1.353 177.521 176.094 0.123 0.000 1.084 1417 V CA 1.396 63.769 62.300 0.121 0.000 1.184 1417 V CB 1.144 33.067 31.823 0.167 0.000 0.941 1417 V HN 0.589 nan 8.190 nan 0.000 0.493 1418 G N 1.368 110.215 108.800 0.078 0.000 3.042 1418 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.212 1418 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.212 1418 G C 1.159 176.096 174.900 0.061 0.000 1.166 1418 G CA 0.575 45.724 45.100 0.081 0.000 0.767 1418 G HN 1.016 nan 8.290 nan 0.000 0.546 1419 H N -0.789 118.198 119.070 -0.138 0.000 2.395 1419 H HA -0.001 4.555 4.556 -0.000 0.000 0.299 1419 H C 1.924 177.131 175.328 -0.201 0.000 1.070 1419 H CA 1.252 57.160 56.048 -0.235 0.000 1.356 1419 H CB -0.032 29.492 29.762 -0.397 0.000 1.401 1419 H HN 0.264 nan 8.280 nan 0.000 0.524 1420 Y N 1.221 121.569 120.300 0.080 0.000 2.109 1420 Y HA -0.132 4.418 4.550 -0.000 0.000 0.285 1420 Y C 2.754 178.654 175.900 -0.000 0.000 1.131 1420 Y CA 1.479 59.609 58.100 0.051 0.000 1.121 1420 Y CB -0.898 37.702 38.460 0.234 0.000 0.987 1420 Y HN 0.351 nan 8.280 nan 0.000 0.495 1421 E N -0.198 120.129 120.200 0.212 0.000 2.301 1421 E HA -0.246 4.104 4.350 -0.000 0.000 0.202 1421 E C 1.976 178.648 176.600 0.119 0.000 1.017 1421 E CA 1.524 58.014 56.400 0.149 0.000 0.831 1421 E CB -0.057 29.738 29.700 0.158 0.000 0.742 1421 E HN 0.370 nan 8.360 nan 0.000 0.491 1422 S N -0.427 115.285 115.700 0.020 0.000 2.421 1422 S HA -0.017 4.453 4.470 -0.000 0.000 0.224 1422 S C 1.753 176.303 174.600 -0.083 0.000 1.035 1422 S CA 0.218 58.411 58.200 -0.011 0.000 0.953 1422 S CB 0.095 63.251 63.200 -0.072 0.000 0.810 1422 S HN 0.298 nan 8.310 nan 0.000 0.497 1423 Q N 0.822 120.509 119.800 -0.189 0.000 2.061 1423 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 1423 Q C 2.133 178.026 176.000 -0.180 0.000 0.984 1423 Q CA 1.370 57.063 55.803 -0.183 0.000 0.846 1423 Q CB -0.357 28.317 28.738 -0.107 0.000 0.902 1423 Q HN 0.449 nan 8.270 nan 0.000 0.421 1424 L N 0.881 121.897 121.223 -0.345 0.000 1.941 1424 L HA -0.339 4.001 4.340 -0.000 0.000 0.224 1424 L C 2.520 179.255 176.870 -0.227 0.000 1.081 1424 L CA 1.994 56.569 54.840 -0.442 0.000 0.784 1424 L CB -0.379 41.346 42.059 -0.557 0.000 0.894 1424 L HN 0.155 nan 8.230 nan 0.000 0.436 1425 K N -1.200 119.055 120.400 -0.241 0.000 2.090 1425 K HA -0.348 3.972 4.320 -0.000 0.000 0.218 1425 K C 1.923 178.324 176.600 -0.333 0.000 1.055 1425 K CA 2.508 58.446 56.287 -0.583 0.000 0.941 1425 K CB -0.275 31.740 32.500 -0.808 0.000 0.722 1425 K HN 0.456 nan 8.250 nan 0.000 0.458 1426 H N -0.141 118.770 119.070 -0.265 0.000 2.353 1426 H HA -0.058 4.498 4.556 -0.000 0.000 0.300 1426 H C 1.892 177.162 175.328 -0.098 0.000 1.090 1426 H CA 1.675 57.620 56.048 -0.172 0.000 1.327 1426 H CB -0.148 29.544 29.762 -0.117 0.000 1.383 1426 H HN 0.122 nan 8.280 nan 0.000 0.508 1427 L N 0.004 121.268 121.223 0.069 0.000 1.955 1427 L HA -0.205 4.135 4.340 -0.000 0.000 0.213 1427 L C 2.204 179.140 176.870 0.109 0.000 1.072 1427 L CA 1.448 56.370 54.840 0.137 0.000 0.755 1427 L CB -0.517 41.618 42.059 0.128 0.000 0.888 1427 L HN 0.300 nan 8.230 nan 0.000 0.432 1428 I N -0.331 120.255 120.570 0.026 0.000 2.367 1428 I HA -0.354 3.816 4.170 -0.000 0.000 0.256 1428 I C 2.253 178.355 176.117 -0.024 0.000 1.132 1428 I CA 1.502 62.815 61.300 0.021 0.000 1.397 1428 I CB -0.540 37.426 38.000 -0.057 0.000 1.074 1428 I HN 0.434 nan 8.210 nan 0.000 0.435 1429 E N 0.417 120.544 120.200 -0.122 0.000 2.158 1429 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 1429 E C 2.070 178.585 176.600 -0.142 0.000 0.982 1429 E CA 0.561 56.863 56.400 -0.164 0.000 0.823 1429 E CB 0.002 29.548 29.700 -0.257 0.000 0.766 1429 E HN 0.477 nan 8.360 nan 0.000 0.468 1430 E N 0.235 120.364 120.200 -0.118 0.000 2.031 1430 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 1430 E C 1.996 178.311 176.600 -0.475 0.000 0.994 1430 E CA 1.113 57.364 56.400 -0.248 0.000 0.800 1430 E CB -0.043 29.573 29.700 -0.140 0.000 0.752 1430 E HN 0.229 nan 8.360 nan 0.000 0.447 1431 H N 0.449 119.263 119.070 -0.428 0.000 2.252 1431 H HA -0.185 4.371 4.556 -0.000 0.000 0.292 1431 H C 1.976 177.165 175.328 -0.232 0.000 1.082 1431 H CA 2.463 58.327 56.048 -0.306 0.000 1.229 1431 H CB -0.628 29.182 29.762 0.081 0.000 1.353 1431 H HN -0.013 nan 8.280 nan 0.000 0.488 1432 V N 0.070 119.922 119.914 -0.103 0.000 2.223 1432 V HA -0.410 3.710 4.120 -0.000 0.000 0.246 1432 V C 2.390 178.354 176.094 -0.217 0.000 1.045 1432 V CA 2.735 64.938 62.300 -0.162 0.000 1.004 1432 V CB -1.257 30.512 31.823 -0.090 0.000 0.641 1432 V HN 0.714 nan 8.190 nan 0.000 0.457 1433 T N -0.300 114.138 114.554 -0.193 0.000 2.412 1433 T HA -0.379 3.971 4.350 -0.000 0.000 0.228 1433 T C 1.694 176.273 174.700 -0.202 0.000 1.426 1433 T CA 2.319 64.308 62.100 -0.185 0.000 1.096 1433 T CB -0.632 68.121 68.868 -0.191 0.000 0.834 1433 T HN 0.543 nan 8.240 nan 0.000 0.439 1434 E N 0.316 120.345 120.200 -0.285 0.000 2.013 1434 E HA -0.130 4.220 4.350 -0.000 0.000 0.202 1434 E C 2.540 179.029 176.600 -0.184 0.000 1.018 1434 E CA 1.629 57.886 56.400 -0.239 0.000 0.834 1434 E CB -1.171 28.323 29.700 -0.342 0.000 0.770 1434 E HN 0.475 nan 8.360 nan 0.000 0.459 1435 T N 0.229 114.629 114.554 -0.257 0.000 2.977 1435 T HA -0.144 4.206 4.350 -0.000 0.000 0.271 1435 T C 0.346 174.939 174.700 -0.178 0.000 1.105 1435 T CA 0.850 62.806 62.100 -0.240 0.000 1.116 1435 T CB -0.117 68.445 68.868 -0.510 0.000 0.878 1435 T HN 0.236 nan 8.240 nan 0.000 0.509 1436 Q N 1.130 120.833 119.800 -0.163 0.000 2.434 1436 Q HA -0.146 4.194 4.340 -0.000 0.000 0.299 1436 Q C -0.306 175.649 176.000 -0.076 0.000 1.286 1436 Q CA 0.259 56.001 55.803 -0.102 0.000 0.872 1436 Q CB -1.461 27.233 28.738 -0.073 0.000 1.193 1436 Q HN 0.390 nan 8.270 nan 0.000 0.466 1437 S N -0.645 115.002 115.700 -0.089 0.000 2.416 1437 S HA 0.303 4.773 4.470 -0.000 0.000 0.287 1437 S C 1.111 175.739 174.600 0.047 0.000 1.139 1437 S CA -0.601 57.594 58.200 -0.009 0.000 1.058 1437 S CB 0.805 64.018 63.200 0.022 0.000 0.967 1437 S HN 0.377 nan 8.310 nan 0.000 0.495 1438 R N 2.758 123.297 120.500 0.065 0.000 2.126 1438 R HA -0.113 4.227 4.340 -0.000 0.000 0.224 1438 R C 1.762 178.134 176.300 0.121 0.000 1.128 1438 R CA 2.045 58.189 56.100 0.073 0.000 0.895 1438 R CB -0.897 29.445 30.300 0.070 0.000 0.817 1438 R HN 0.776 nan 8.270 nan 0.000 0.435 1439 F N 1.310 121.263 119.950 0.005 0.000 2.065 1439 F HA -0.419 4.108 4.527 -0.000 0.000 0.290 1439 F C 2.190 177.988 175.800 -0.003 0.000 1.079 1439 F CA 2.078 60.077 58.000 -0.002 0.000 1.261 1439 F CB -0.749 38.249 39.000 -0.003 0.000 0.968 1439 F HN 0.200 nan 8.300 nan 0.000 0.496 1440 A N 0.167 122.967 122.820 -0.035 0.000 1.855 1440 A HA 0.040 4.360 4.320 -0.000 0.000 0.215 1440 A C 2.467 179.979 177.584 -0.120 0.000 1.191 1440 A CA 2.207 54.143 52.037 -0.169 0.000 0.613 1440 A CB -1.718 17.376 19.000 0.156 0.000 0.829 1440 A HN 0.773 nan 8.150 nan 0.000 0.442 1441 A N -0.247 122.549 122.820 -0.040 0.000 1.971 1441 A HA -0.294 4.026 4.320 -0.000 0.000 0.222 1441 A C 1.910 179.463 177.584 -0.053 0.000 1.182 1441 A CA 2.099 54.108 52.037 -0.045 0.000 0.649 1441 A CB -0.628 18.356 19.000 -0.026 0.000 0.818 1441 A HN 0.688 nan 8.150 nan 0.000 0.458 1442 E N -0.935 119.223 120.200 -0.069 0.000 2.158 1442 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 1442 E C 1.838 178.403 176.600 -0.058 0.000 0.982 1442 E CA 0.672 57.041 56.400 -0.052 0.000 0.823 1442 E CB -0.164 29.518 29.700 -0.030 0.000 0.766 1442 E HN 0.726 nan 8.360 nan 0.000 0.468 1443 I N 0.983 121.467 120.570 -0.143 0.000 2.394 1443 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 1443 I C 2.145 178.355 176.117 0.156 0.000 1.136 1443 I CA 0.873 62.148 61.300 -0.041 0.000 1.425 1443 I CB -0.045 37.855 38.000 -0.165 0.000 1.079 1443 I HN 0.138 nan 8.210 nan 0.000 0.425 1444 L N 0.200 121.462 121.223 0.065 0.000 2.056 1444 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 1444 L C 2.050 178.961 176.870 0.068 0.000 1.078 1444 L CA 1.026 55.890 54.840 0.040 0.000 0.749 1444 L CB -0.751 41.239 42.059 -0.115 0.000 0.901 1444 L HN 0.263 nan 8.230 nan 0.000 0.433 1445 N N -0.153 118.567 118.700 0.033 0.000 2.417 1445 N HA -0.195 4.545 4.740 -0.000 0.000 0.187 1445 N C 0.651 176.207 175.510 0.077 0.000 1.027 1445 N CA 1.253 54.325 53.050 0.037 0.000 0.891 1445 N CB -0.227 38.270 38.487 0.017 0.000 0.956 1445 N HN 0.295 nan 8.380 nan 0.000 0.442 1446 D N -1.359 119.115 120.400 0.124 0.000 2.740 1446 D HA 0.036 4.676 4.640 -0.000 0.000 0.301 1446 D C 0.936 177.352 176.300 0.192 0.000 1.408 1446 D CA -0.514 53.561 54.000 0.125 0.000 0.808 1446 D CB -0.308 40.543 40.800 0.084 0.000 1.128 1446 D HN 0.142 nan 8.370 nan 0.000 0.465 1447 W N 1.401 122.706 121.300 0.009 0.000 2.289 1447 W HA -0.403 4.257 4.660 -0.000 0.000 0.331 1447 W C 1.857 178.397 176.519 0.035 0.000 1.283 1447 W CA 2.268 59.624 57.345 0.019 0.000 1.252 1447 W CB -0.365 29.086 29.460 -0.015 0.000 1.153 1447 W HN 0.201 nan 8.180 nan 0.000 0.467 1448 A N 0.645 123.520 122.820 0.092 0.000 1.893 1448 A HA -0.370 3.950 4.320 -0.000 0.000 0.222 1448 A C 2.011 179.526 177.584 -0.115 0.000 1.309 1448 A CA 3.003 55.019 52.037 -0.035 0.000 0.681 1448 A CB -1.470 17.551 19.000 0.036 0.000 0.842 1448 A HN 0.525 nan 8.150 nan 0.000 0.468 1449 R N -1.244 119.224 120.500 -0.053 0.000 2.153 1449 R HA -0.051 4.289 4.340 -0.000 0.000 0.218 1449 R C 1.908 178.157 176.300 -0.085 0.000 1.072 1449 R CA 1.033 57.096 56.100 -0.060 0.000 0.990 1449 R CB -0.076 30.214 30.300 -0.017 0.000 0.889 1449 R HN 0.602 nan 8.270 nan 0.000 0.452 1450 E N 0.166 120.324 120.200 -0.070 0.000 2.112 1450 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 1450 E C 2.067 178.620 176.600 -0.078 0.000 0.979 1450 E CA 0.982 57.385 56.400 0.004 0.000 0.814 1450 E CB -0.037 29.769 29.700 0.176 0.000 0.762 1450 E HN 0.151 nan 8.360 nan 0.000 0.460 1451 V N 1.460 121.073 119.914 -0.503 0.000 2.317 1451 V HA -0.285 3.835 4.120 -0.000 0.000 0.251 1451 V C 2.401 178.371 176.094 -0.206 0.000 1.065 1451 V CA 2.185 64.095 62.300 -0.651 0.000 1.049 1451 V CB -1.250 29.980 31.823 -0.988 0.000 0.651 1451 V HN 0.261 nan 8.190 nan 0.000 0.450 1452 T N -0.779 113.640 114.554 -0.226 0.000 2.837 1452 T HA -0.275 4.075 4.350 -0.000 0.000 0.266 1452 T C 1.654 176.226 174.700 -0.212 0.000 1.077 1452 T CA 1.900 63.889 62.100 -0.184 0.000 1.133 1452 T CB -0.278 68.493 68.868 -0.162 0.000 0.830 1452 T HN 0.617 nan 8.240 nan 0.000 0.512 1453 K N -1.197 119.096 120.400 -0.179 0.000 2.354 1453 K HA 0.214 4.534 4.320 -0.000 0.000 0.194 1453 K C 0.412 176.761 176.600 -0.417 0.000 1.038 1453 K CA -0.260 55.802 56.287 -0.375 0.000 1.052 1453 K CB 0.337 32.516 32.500 -0.536 0.000 0.861 1453 K HN 0.220 nan 8.250 nan 0.000 0.535 1454 F N 0.384 120.186 119.950 -0.245 0.000 2.313 1454 F HA 0.118 4.645 4.527 -0.000 0.000 0.288 1454 F C 0.172 175.904 175.800 -0.114 0.000 1.274 1454 F CA 0.174 58.146 58.000 -0.047 0.000 1.241 1454 F CB 0.310 39.379 39.000 0.115 0.000 1.409 1454 F HN -0.111 nan 8.300 nan 0.000 0.511 1455 W N 0.179 121.683 121.300 0.340 0.000 3.405 1455 W HA 0.330 4.990 4.660 -0.000 0.000 0.329 1455 W C -1.160 175.502 176.519 0.239 0.000 1.142 1455 W CA -0.799 56.691 57.345 0.241 0.000 1.235 1455 W CB 1.299 30.867 29.460 0.181 0.000 1.341 1455 W HN 0.252 nan 8.180 nan 0.000 0.481 1456 Q N 2.512 122.573 119.800 0.435 0.000 2.267 1456 Q HA 0.600 4.940 4.340 -0.000 0.000 0.255 1456 Q C -1.374 174.716 176.000 0.151 0.000 0.923 1456 Q CA -0.160 55.731 55.803 0.146 0.000 0.925 1456 Q CB 1.356 30.143 28.738 0.082 0.000 1.195 1456 Q HN 0.374 nan 8.270 nan 0.000 0.417 1457 V N 5.272 125.200 119.914 0.023 0.000 2.378 1457 V HA 0.475 4.594 4.120 -0.000 0.000 0.288 1457 V C -0.859 175.225 176.094 -0.017 0.000 1.016 1457 V CA -0.650 61.712 62.300 0.104 0.000 0.840 1457 V CB 1.701 33.637 31.823 0.188 0.000 0.994 1457 V HN 0.667 nan 8.190 nan 0.000 0.431 1458 V N 7.082 127.000 119.914 0.007 0.000 2.577 1458 V HA 0.433 4.553 4.120 -0.000 0.000 0.303 1458 V C -2.550 173.541 176.094 -0.006 0.000 1.042 1458 V CA -2.154 60.123 62.300 -0.039 0.000 0.872 1458 V CB 2.375 34.163 31.823 -0.058 0.000 0.998 1458 V HN 0.645 nan 8.190 nan 0.000 0.423 1459 P HA 0.189 nan 4.420 nan 0.000 0.266 1459 P C 0.508 177.809 177.300 0.003 0.000 1.195 1459 P CA 0.003 63.097 63.100 -0.010 0.000 0.768 1459 P CB 0.889 32.579 31.700 -0.017 0.000 0.838 1460 K N 2.229 122.634 120.400 0.009 0.000 1.978 1460 K HA -0.165 4.155 4.320 -0.000 0.000 0.214 1460 K C 1.489 178.097 176.600 0.013 0.000 1.049 1460 K CA 1.448 57.744 56.287 0.014 0.000 0.939 1460 K CB -0.292 32.216 32.500 0.014 0.000 0.721 1460 K HN 0.515 nan 8.250 nan 0.000 0.441 1461 E N 0.272 120.477 120.200 0.009 0.000 2.492 1461 E HA -0.189 4.161 4.350 -0.000 0.000 0.204 1461 E C 1.290 177.896 176.600 0.010 0.000 1.073 1461 E CA 0.776 57.181 56.400 0.009 0.000 0.887 1461 E CB -0.015 29.688 29.700 0.006 0.000 0.813 1461 E HN 0.325 nan 8.360 nan 0.000 0.562 1462 M N -0.480 119.126 119.600 0.010 0.000 2.367 1462 M HA 0.144 4.624 4.480 -0.000 0.000 0.256 1462 M C 1.902 178.216 176.300 0.024 0.000 1.091 1462 M CA -0.117 55.191 55.300 0.013 0.000 1.049 1462 M CB -0.170 32.433 32.600 0.005 0.000 1.406 1462 M HN 0.094 nan 8.290 nan 0.000 0.498 1463 L N 0.941 122.180 121.223 0.026 0.000 1.997 1463 L HA -0.301 4.039 4.340 -0.000 0.000 0.216 1463 L C 1.523 178.423 176.870 0.050 0.000 1.074 1463 L CA 1.406 56.271 54.840 0.042 0.000 0.763 1463 L CB -0.447 41.638 42.059 0.042 0.000 0.890 1463 L HN 0.357 nan 8.230 nan 0.000 0.434 1464 N N -0.628 118.094 118.700 0.037 0.000 2.353 1464 N HA -0.001 4.739 4.740 -0.000 0.000 0.185 1464 N C 1.072 176.600 175.510 0.031 0.000 1.098 1464 N CA 0.412 53.482 53.050 0.033 0.000 0.872 1464 N CB 0.160 38.661 38.487 0.023 0.000 0.970 1464 N HN 0.324 nan 8.380 nan 0.000 0.467 1465 R N 0.028 120.546 120.500 0.031 0.000 2.359 1465 R HA 0.230 4.570 4.340 -0.000 0.000 0.231 1465 R C 0.040 176.363 176.300 0.038 0.000 0.913 1465 R CA -0.068 56.048 56.100 0.026 0.000 1.075 1465 R CB 0.525 30.836 30.300 0.018 0.000 1.087 1465 R HN 0.104 nan 8.270 nan 0.000 0.515 1466 L N 2.224 123.480 121.223 0.056 0.000 2.283 1466 L HA 0.116 4.456 4.340 -0.000 0.000 0.281 1466 L C 1.434 178.354 176.870 0.084 0.000 1.033 1466 L CA -0.062 54.826 54.840 0.081 0.000 0.848 1466 L CB 1.051 43.173 42.059 0.106 0.000 1.226 1466 L HN 0.179 nan 8.230 nan 0.000 0.429 1467 E N 2.398 122.632 120.200 0.056 0.000 2.504 1467 E HA -0.299 4.051 4.350 -0.000 0.000 0.252 1467 E C 0.086 176.691 176.600 0.007 0.000 1.018 1467 E CA 2.035 58.448 56.400 0.022 0.000 1.151 1467 E CB 0.023 29.727 29.700 0.007 0.000 1.081 1467 E HN 0.406 nan 8.360 nan 0.000 0.509 1468 V N 3.206 123.119 119.914 -0.001 0.000 2.353 1468 V HA 0.169 4.289 4.120 -0.000 0.000 0.264 1468 V C -2.066 174.107 176.094 0.132 0.000 1.049 1468 V CA -1.199 61.068 62.300 -0.055 0.000 0.896 1468 V CB 0.727 32.336 31.823 -0.357 0.000 1.025 1468 V HN 0.295 nan 8.190 nan 0.000 0.475 1469 P HA -0.053 nan 4.420 nan 0.000 0.269 1469 P C 0.789 178.272 177.300 0.305 0.000 1.205 1469 P CA 0.274 63.483 63.100 0.181 0.000 0.780 1469 P CB 0.680 32.458 31.700 0.129 0.000 0.858 1470 V N 0.065 120.155 119.914 0.294 0.000 3.649 1470 V HA 0.020 4.140 4.120 -0.000 0.000 0.275 1470 V C 0.563 176.763 176.094 0.178 0.000 1.281 1470 V CA 1.029 63.510 62.300 0.301 0.000 1.143 1470 V CB -1.176 30.716 31.823 0.115 0.000 0.892 1470 V HN 0.533 nan 8.190 nan 0.000 0.441 1471 H N -1.622 117.537 119.070 0.149 0.000 2.731 1471 H HA 0.712 5.268 4.556 -0.000 0.000 0.368 1471 H C -0.279 175.098 175.328 0.081 0.000 1.168 1471 H CA -0.546 55.563 56.048 0.102 0.000 1.181 1471 H CB 1.587 31.391 29.762 0.071 0.000 1.743 1471 H HN 0.017 nan 8.280 nan 0.000 0.547 1472 L N 0.000 121.401 121.223 0.297 0.000 2.949 1472 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1472 L CA 0.000 54.944 54.840 0.173 0.000 0.813 1472 L CB 0.000 42.136 42.059 0.127 0.000 0.961 1472 L HN 0.000 nan 8.230 nan 0.000 0.502