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 1sij_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIQKVITVNG IEQNLFVDAE ALLSDVLRQQ LGLTGVKVGC EQGQCGACSV DATA SEQUENCE ILDGKVVRAC VTKMKRVADG AQITTIEGVG QPENLHPLQK AWVLHGGAQC DATA SEQUENCE GFCSPGFIVS AKGLLDTNAD PSREDVRDWF QKHRNACRCT GYKPLVDAVM DATA SEQUENCE DAAAVINGKK PETDLEFKMP ADGRIWGSKY PRPTAVAKVT GTLDYGADLG DATA SEQUENCE LKMPAGTLHL AMVQAKVSHA NIKGIDTSEA LTMPGVHSVI THKDVKGKNR DATA SEQUENCE ITGLITFPTN KGDGWDRPIL CDEKVFQYGD CIALVCADSE ANARAAAEKV DATA SEQUENCE KVDLEELPAY MSGPAAAAED AIEIHPGTPN VYFEQPIVKG EDTGPIFASA DATA SEQUENCE DVTVEGDFYV GRQPHMPIEP DVAFAYMGDD GKCYIHSKSI GVHLHLYMIA DATA SEQUENCE PGVGLEPDQL VLVANPMGGT FGYKFSPTSE ALVAVAAMAT GRPVHLRYNY DATA SEQUENCE QQQQQYTGKR SPWEMNVKFA AKKDGTLLAM ESDWLVDHGP YSEFGDLLTL DATA SEQUENCE RGAQFIGAGY NIPNIRGLGR TVATNHVWGS AFRGYGAPQS MFASECLMDM DATA SEQUENCE LAEKLGMDPL ELRYKNAYRP GDTNPTGQEP EVFSLPDMID QLRPKYQAAL DATA SEQUENCE EKAQKESTAT HKKGVGISIG VYGSGLDGPD ASEAWAELNA DGTITVHTAW DATA SEQUENCE EDHGQGADIG CVGTAHEALR PMGVAPEKIK FTWPNTATTP NSGPSGGSRQ DATA SEQUENCE QVMTGNAIRV ACENLLKACE KPGGGYYTYD ELKAADKPTK ITGNWTASGA DATA SEQUENCE THCDAVTGLG KPFVVYMYGV FMAEVTVDVA TGQTTVDGMT LMADLGSLCN DATA SEQUENCE QLATDGQIYG GLAQGIGLAL SEDFEDIKKH ATLVGAGFPF IKQIPDKLDI DATA SEQUENCE VYVNHPRPDG PFGASGVGEL PLTSPHAAII NAIKSATGVR IYRLPAYPEK DATA SEQUENCE VLEALKA 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.337 176.300 0.061 0.000 1.140 1 M CA 0.000 55.336 55.300 0.059 0.000 0.988 1 M CB 0.000 32.651 32.600 0.085 0.000 1.302 2 I N 0.439 121.040 120.570 0.051 0.000 2.730 2 I HA 0.543 4.711 4.170 -0.004 0.000 0.298 2 I C -0.945 175.138 176.117 -0.056 0.000 1.089 2 I CA -0.676 60.631 61.300 0.012 0.000 1.041 2 I CB 2.037 40.028 38.000 -0.015 0.000 1.235 2 I HN 0.780 nan 8.210 nan 0.000 0.423 3 Q N 4.327 124.046 119.800 -0.135 0.000 2.279 3 Q HA 0.424 4.761 4.340 -0.004 0.000 0.256 3 Q C -1.226 174.590 176.000 -0.307 0.000 0.937 3 Q CA -0.498 55.039 55.803 -0.444 0.000 0.933 3 Q CB 1.067 29.561 28.738 -0.407 0.000 1.189 3 Q HN 0.625 nan 8.270 nan 0.000 0.417 4 K N 3.644 123.836 120.400 -0.347 0.000 2.559 4 K HA 0.313 4.631 4.320 -0.004 0.000 0.249 4 K C -1.365 175.112 176.600 -0.204 0.000 0.958 4 K CA -0.616 55.548 56.287 -0.206 0.000 0.901 4 K CB 2.019 34.436 32.500 -0.138 0.000 1.124 4 K HN 0.406 nan 8.250 nan 0.000 0.437 5 V N 6.149 125.970 119.914 -0.156 0.000 2.372 5 V HA 0.288 4.405 4.120 -0.004 0.000 0.261 5 V C 0.291 176.341 176.094 -0.075 0.000 1.055 5 V CA -0.318 61.914 62.300 -0.114 0.000 0.930 5 V CB -0.343 31.428 31.823 -0.087 0.000 1.031 5 V HN 0.637 nan 8.190 nan 0.000 0.479 6 I N 1.890 122.421 120.570 -0.065 0.000 3.322 6 I HA 0.777 4.944 4.170 -0.004 0.000 0.313 6 I C -0.300 175.797 176.117 -0.032 0.000 1.129 6 I CA -0.671 60.602 61.300 -0.045 0.000 0.963 6 I CB 2.674 40.647 38.000 -0.045 0.000 1.273 6 I HN 0.269 nan 8.210 nan 0.000 0.473 7 T N 2.137 116.676 114.554 -0.024 0.000 2.770 7 T HA 0.594 4.941 4.350 -0.004 0.000 0.283 7 T C -0.643 174.047 174.700 -0.016 0.000 0.988 7 T CA -0.394 61.696 62.100 -0.017 0.000 0.957 7 T CB 1.467 70.327 68.868 -0.013 0.000 0.930 7 T HN 0.401 nan 8.240 nan 0.000 0.443 8 V N 5.018 124.924 119.914 -0.014 0.000 2.378 8 V HA 0.355 4.473 4.120 -0.004 0.000 0.288 8 V C 0.144 176.231 176.094 -0.011 0.000 1.016 8 V CA -1.062 61.230 62.300 -0.014 0.000 0.840 8 V CB 1.069 32.884 31.823 -0.013 0.000 0.994 8 V HN 0.986 nan 8.190 nan 0.000 0.431 9 N N 4.139 122.832 118.700 -0.013 0.000 2.721 9 N HA -0.218 4.519 4.740 -0.004 0.000 0.249 9 N C 1.208 176.715 175.510 -0.006 0.000 1.072 9 N CA 1.507 54.550 53.050 -0.011 0.000 0.710 9 N CB -1.099 37.381 38.487 -0.012 0.000 0.993 9 N HN 1.528 nan 8.380 nan 0.000 0.547 10 G N -1.429 107.368 108.800 -0.005 0.000 2.179 10 G HA2 -0.322 3.635 3.960 -0.004 0.000 0.260 10 G HA3 -0.322 3.635 3.960 -0.004 0.000 0.260 10 G C 0.072 174.970 174.900 -0.002 0.000 0.977 10 G CA 0.529 45.628 45.100 -0.002 0.000 0.641 10 G HN 0.515 nan 8.290 nan 0.000 0.533 11 I N 0.854 121.422 120.570 -0.003 0.000 2.378 11 I HA 0.345 4.512 4.170 -0.004 0.000 0.291 11 I C 0.485 176.599 176.117 -0.005 0.000 0.992 11 I CA -0.823 60.475 61.300 -0.002 0.000 1.154 11 I CB 1.840 39.840 38.000 -0.000 0.000 1.315 11 I HN 0.146 nan 8.210 nan 0.000 0.448 12 E N 6.242 126.440 120.200 -0.004 0.000 2.415 12 E HA 0.026 4.373 4.350 -0.004 0.000 0.260 12 E C -0.853 175.743 176.600 -0.006 0.000 1.016 12 E CA -0.090 56.306 56.400 -0.008 0.000 0.924 12 E CB 0.611 30.307 29.700 -0.006 0.000 0.961 12 E HN 0.404 nan 8.360 nan 0.000 0.459 13 Q N 3.424 123.215 119.800 -0.015 0.000 2.322 13 Q HA 0.188 4.525 4.340 -0.004 0.000 0.265 13 Q C -0.823 175.157 176.000 -0.033 0.000 0.985 13 Q CA -0.775 55.021 55.803 -0.012 0.000 0.849 13 Q CB 1.601 30.331 28.738 -0.013 0.000 1.274 13 Q HN 0.398 nan 8.270 nan 0.000 0.449 14 N N 3.691 122.385 118.700 -0.010 0.000 2.719 14 N HA 0.195 4.932 4.740 -0.004 0.000 0.243 14 N C -1.007 174.440 175.510 -0.105 0.000 1.104 14 N CA 0.039 53.057 53.050 -0.054 0.000 0.981 14 N CB 0.082 38.612 38.487 0.073 0.000 1.290 14 N HN 0.475 nan 8.380 nan 0.000 0.513 15 L N 2.709 123.787 121.223 -0.241 0.000 2.326 15 L HA 0.406 4.743 4.340 -0.004 0.000 0.278 15 L C -0.486 176.112 176.870 -0.454 0.000 1.092 15 L CA -0.458 54.270 54.840 -0.186 0.000 0.810 15 L CB 0.496 42.482 42.059 -0.122 0.000 1.153 15 L HN 0.316 nan 8.230 nan 0.000 0.439 16 F N 3.092 123.038 119.950 -0.007 0.000 2.496 16 F HA 0.519 5.044 4.527 -0.004 0.000 0.341 16 F C -0.014 175.781 175.800 -0.007 0.000 1.134 16 F CA -0.778 57.219 58.000 -0.006 0.000 0.968 16 F CB 1.828 40.825 39.000 -0.006 0.000 1.205 16 F HN 0.122 nan 8.300 nan 0.000 0.436 17 V N -0.999 118.973 119.914 0.097 0.000 3.114 17 V HA 0.548 4.666 4.120 -0.004 0.000 0.308 17 V C -0.934 175.185 176.094 0.042 0.000 1.168 17 V CA -0.958 61.374 62.300 0.052 0.000 1.015 17 V CB 2.130 33.959 31.823 0.010 0.000 1.050 17 V HN 0.535 nan 8.190 nan 0.000 0.433 18 D N 1.447 121.865 120.400 0.032 0.000 2.348 18 D HA 0.434 5.072 4.640 -0.004 0.000 0.253 18 D C 1.212 177.518 176.300 0.011 0.000 1.161 18 D CA 0.696 54.709 54.000 0.022 0.000 0.876 18 D CB 2.169 42.980 40.800 0.018 0.000 1.160 18 D HN 0.923 nan 8.370 nan 0.000 0.459 19 A N 4.463 127.287 122.820 0.007 0.000 2.024 19 A HA -0.179 4.138 4.320 -0.004 0.000 0.220 19 A C 1.670 179.255 177.584 0.001 0.000 1.164 19 A CA 1.232 53.269 52.037 0.000 0.000 0.643 19 A CB -0.050 18.950 19.000 -0.001 0.000 0.806 19 A HN 0.555 nan 8.150 nan 0.000 0.451 20 E N -0.134 120.069 120.200 0.004 0.000 2.481 20 E HA 0.217 4.564 4.350 -0.004 0.000 0.195 20 E C 0.886 177.489 176.600 0.005 0.000 1.047 20 E CA 0.572 56.974 56.400 0.004 0.000 0.867 20 E CB -0.368 29.336 29.700 0.006 0.000 0.858 20 E HN 0.575 nan 8.360 nan 0.000 0.513 21 A N 1.177 124.001 122.820 0.006 0.000 2.445 21 A HA 0.265 4.583 4.320 -0.004 0.000 0.242 21 A C 0.288 177.875 177.584 0.004 0.000 1.075 21 A CA -0.251 51.790 52.037 0.006 0.000 0.777 21 A CB 0.163 19.168 19.000 0.008 0.000 1.013 21 A HN 0.159 nan 8.150 nan 0.000 0.493 22 L N 2.374 123.601 121.223 0.006 0.000 2.380 22 L HA 0.073 4.410 4.340 -0.004 0.000 0.273 22 L C 1.496 178.367 176.870 0.002 0.000 1.138 22 L CA -0.600 54.243 54.840 0.005 0.000 0.832 22 L CB 0.589 42.654 42.059 0.011 0.000 1.124 22 L HN 0.854 nan 8.230 nan 0.000 0.454 23 L N 2.785 124.007 121.223 -0.002 0.000 2.083 23 L HA -0.202 4.135 4.340 -0.004 0.000 0.209 23 L C 2.585 179.453 176.870 -0.004 0.000 1.083 23 L CA 2.179 57.016 54.840 -0.005 0.000 0.752 23 L CB -0.513 41.541 42.059 -0.009 0.000 0.899 23 L HN 0.902 nan 8.230 nan 0.000 0.433 24 S N -1.443 114.257 115.700 -0.001 0.000 2.356 24 S HA -0.204 4.264 4.470 -0.004 0.000 0.223 24 S C 1.752 176.356 174.600 0.006 0.000 1.032 24 S CA 1.246 59.446 58.200 0.002 0.000 1.005 24 S CB -0.828 62.378 63.200 0.009 0.000 0.867 24 S HN 0.489 nan 8.310 nan 0.000 0.449 25 D N 1.421 121.826 120.400 0.008 0.000 2.117 25 D HA -0.019 4.619 4.640 -0.004 0.000 0.197 25 D C 2.168 178.469 176.300 0.002 0.000 0.987 25 D CA 1.014 55.018 54.000 0.007 0.000 0.829 25 D CB -0.643 40.161 40.800 0.007 0.000 0.961 25 D HN 0.333 nan 8.370 nan 0.000 0.460 26 V N 0.995 120.910 119.914 0.002 0.000 2.261 26 V HA -0.211 3.906 4.120 -0.004 0.000 0.246 26 V C 2.666 178.760 176.094 0.000 0.000 1.047 26 V CA 1.192 63.494 62.300 0.003 0.000 1.015 26 V CB -0.503 31.321 31.823 0.001 0.000 0.642 26 V HN 0.192 nan 8.190 nan 0.000 0.446 27 L N -0.699 120.521 121.223 -0.003 0.000 2.042 27 L HA -0.206 4.131 4.340 -0.004 0.000 0.210 27 L C 2.787 179.653 176.870 -0.005 0.000 1.076 27 L CA 1.814 56.650 54.840 -0.006 0.000 0.749 27 L CB -0.585 41.467 42.059 -0.012 0.000 0.893 27 L HN 0.256 nan 8.230 nan 0.000 0.432 28 R N -0.626 119.873 120.500 -0.003 0.000 2.057 28 R HA -0.107 4.231 4.340 -0.004 0.000 0.229 28 R C 2.328 178.626 176.300 -0.005 0.000 1.136 28 R CA 1.309 57.409 56.100 -0.001 0.000 0.952 28 R CB -0.172 30.133 30.300 0.008 0.000 0.848 28 R HN 0.438 nan 8.270 nan 0.000 0.430 29 Q N -0.023 119.773 119.800 -0.006 0.000 2.107 29 Q HA -0.040 4.298 4.340 -0.004 0.000 0.195 29 Q C 2.148 178.142 176.000 -0.010 0.000 0.964 29 Q CA 0.863 56.658 55.803 -0.014 0.000 0.833 29 Q CB 0.206 28.932 28.738 -0.020 0.000 0.910 29 Q HN 0.316 nan 8.270 nan 0.000 0.465 30 Q N 0.200 120.000 119.800 -0.001 0.000 2.123 30 Q HA -0.013 4.325 4.340 -0.004 0.000 0.199 30 Q C 1.718 177.723 176.000 0.009 0.000 0.966 30 Q CA 0.901 56.708 55.803 0.008 0.000 0.845 30 Q CB 0.273 29.023 28.738 0.020 0.000 0.907 30 Q HN 0.324 nan 8.270 nan 0.000 0.439 31 L N -1.434 119.792 121.223 0.004 0.000 2.616 31 L HA 0.276 4.613 4.340 -0.004 0.000 0.229 31 L C 1.023 177.891 176.870 -0.003 0.000 1.110 31 L CA 0.290 55.132 54.840 0.003 0.000 0.884 31 L CB 0.365 42.425 42.059 0.002 0.000 1.115 31 L HN 0.372 nan 8.230 nan 0.000 0.481 32 G N 1.260 110.056 108.800 -0.006 0.000 2.153 32 G HA2 -0.296 3.662 3.960 -0.004 0.000 0.252 32 G HA3 -0.296 3.662 3.960 -0.004 0.000 0.252 32 G C 0.293 175.188 174.900 -0.008 0.000 0.994 32 G CA -0.051 45.043 45.100 -0.010 0.000 0.698 32 G HN 0.283 nan 8.290 nan 0.000 0.521 33 L N 2.137 123.356 121.223 -0.007 0.000 2.399 33 L HA 0.264 4.602 4.340 -0.004 0.000 0.257 33 L C 1.979 178.844 176.870 -0.008 0.000 1.236 33 L CA 0.314 55.148 54.840 -0.010 0.000 1.144 33 L CB 0.058 42.109 42.059 -0.013 0.000 1.379 33 L HN 0.349 nan 8.230 nan 0.000 0.414 34 T N -3.924 110.629 114.554 -0.000 0.000 3.160 34 T HA -0.041 4.306 4.350 -0.004 0.000 0.257 34 T C 1.814 176.518 174.700 0.007 0.000 1.147 34 T CA 0.518 62.625 62.100 0.013 0.000 1.064 34 T CB 0.124 69.011 68.868 0.031 0.000 0.949 34 T HN 0.567 nan 8.240 nan 0.000 0.526 35 G N 1.277 110.072 108.800 -0.009 0.000 2.509 35 G HA2 0.102 4.060 3.960 -0.004 0.000 0.218 35 G HA3 0.102 4.060 3.960 -0.004 0.000 0.218 35 G C 0.491 175.350 174.900 -0.069 0.000 1.124 35 G CA -0.082 45.001 45.100 -0.028 0.000 0.776 35 G HN 0.534 nan 8.290 nan 0.000 0.547 36 V N 2.589 122.467 119.914 -0.060 0.000 2.370 36 V HA 0.197 4.315 4.120 -0.004 0.000 0.257 36 V C -0.171 175.861 176.094 -0.104 0.000 1.064 36 V CA -0.621 61.633 62.300 -0.077 0.000 0.975 36 V CB 0.665 32.460 31.823 -0.047 0.000 1.067 36 V HN 0.069 nan 8.190 nan 0.000 0.485 37 K N 3.790 124.066 120.400 -0.207 0.000 2.205 37 K HA 0.558 4.876 4.320 -0.004 0.000 0.279 37 K C -0.541 175.950 176.600 -0.182 0.000 1.027 37 K CA -0.426 55.643 56.287 -0.362 0.000 0.932 37 K CB 2.103 34.031 32.500 -0.953 0.000 1.032 37 K HN 0.366 nan 8.250 nan 0.000 0.466 38 V N 2.182 122.105 119.914 0.014 0.000 2.444 38 V HA 0.428 4.546 4.120 -0.004 0.000 0.294 38 V C 0.783 177.076 176.094 0.332 0.000 1.022 38 V CA -0.360 62.022 62.300 0.137 0.000 0.850 38 V CB 1.567 33.461 31.823 0.118 0.000 0.992 38 V HN 1.003 nan 8.190 nan 0.000 0.426 39 G N 2.087 111.061 108.800 0.290 0.000 2.478 39 G HA2 -0.015 3.943 3.960 -0.004 0.000 0.211 39 G HA3 -0.015 3.943 3.960 -0.004 0.000 0.211 39 G C 1.573 176.607 174.900 0.223 0.000 1.726 39 G CA 0.914 46.204 45.100 0.317 0.000 0.725 39 G HN 0.836 nan 8.290 nan 0.000 0.654 40 C N 0.240 119.563 119.300 0.037 0.000 2.432 40 C HA 0.257 4.714 4.460 -0.004 0.000 0.282 40 C C 1.532 176.561 174.990 0.066 0.000 1.388 40 C CA 1.010 59.986 59.018 -0.070 0.000 1.777 40 C CB -1.005 26.558 27.740 -0.295 0.000 1.882 40 C HN 0.682 nan 8.230 nan 0.000 0.520 41 E N -0.083 120.159 120.200 0.070 0.000 3.065 41 E HA -0.294 4.054 4.350 -0.004 0.000 0.277 41 E C 0.317 176.944 176.600 0.046 0.000 1.008 41 E CA 1.123 57.565 56.400 0.070 0.000 0.864 41 E CB -1.528 28.233 29.700 0.101 0.000 1.439 41 E HN 0.875 nan 8.360 nan 0.000 0.445 42 Q N -1.128 118.684 119.800 0.020 0.000 2.084 42 Q HA 0.267 4.604 4.340 -0.004 0.000 0.230 42 Q C 0.840 176.834 176.000 -0.010 0.000 0.806 42 Q CA 0.266 56.077 55.803 0.013 0.000 1.083 42 Q CB 1.543 30.296 28.738 0.026 0.000 1.208 42 Q HN 0.365 nan 8.270 nan 0.000 0.462 43 G N 1.497 110.287 108.800 -0.017 0.000 2.160 43 G HA2 -0.332 3.626 3.960 -0.004 0.000 0.251 43 G HA3 -0.332 3.626 3.960 -0.004 0.000 0.251 43 G C 0.549 175.421 174.900 -0.046 0.000 1.008 43 G CA 0.611 45.693 45.100 -0.031 0.000 0.724 43 G HN 0.427 nan 8.290 nan 0.000 0.514 44 Q N -1.480 118.296 119.800 -0.041 0.000 2.317 44 Q HA 0.216 4.554 4.340 -0.004 0.000 0.220 44 Q C 2.473 178.507 176.000 0.057 0.000 0.873 44 Q CA 0.894 56.684 55.803 -0.022 0.000 0.936 44 Q CB 0.502 29.238 28.738 -0.004 0.000 1.105 44 Q HN 1.054 nan 8.270 nan 0.000 0.520 45 C N -3.106 116.190 119.300 -0.006 0.000 3.270 45 C HA 0.592 5.049 4.460 -0.004 0.000 0.369 45 C C 1.632 176.621 174.990 -0.001 0.000 1.326 45 C CA 0.417 59.428 59.018 -0.012 0.000 1.846 45 C CB 0.144 27.806 27.740 -0.130 0.000 2.534 45 C HN 0.552 nan 8.230 nan 0.000 0.649 46 G N 1.119 109.903 108.800 -0.025 0.000 2.189 46 G HA2 -0.182 3.775 3.960 -0.004 0.000 0.267 46 G HA3 -0.182 3.775 3.960 -0.004 0.000 0.267 46 G C 1.283 176.132 174.900 -0.085 0.000 0.975 46 G CA 0.919 45.982 45.100 -0.062 0.000 0.644 46 G HN 1.519 nan 8.290 nan 0.000 0.537 47 A N -0.137 122.650 122.820 -0.054 0.000 2.019 47 A HA 0.069 4.386 4.320 -0.004 0.000 0.219 47 A C 2.491 180.007 177.584 -0.113 0.000 1.164 47 A CA 2.410 54.398 52.037 -0.082 0.000 0.644 47 A CB -0.879 18.092 19.000 -0.049 0.000 0.805 47 A HN 1.829 nan 8.150 nan 0.000 0.449 48 C N -1.088 118.170 119.300 -0.071 0.000 2.614 48 C HA 0.496 4.953 4.460 -0.004 0.000 0.299 48 C C 0.799 175.758 174.990 -0.053 0.000 1.293 48 C CA -0.912 58.070 59.018 -0.061 0.000 1.713 48 C CB -2.151 25.571 27.740 -0.030 0.000 1.890 48 C HN 0.289 nan 8.230 nan 0.000 0.602 49 S N 1.803 117.467 115.700 -0.060 0.000 2.544 49 S HA 0.385 4.853 4.470 -0.004 0.000 0.290 49 S C 0.319 174.892 174.600 -0.044 0.000 1.276 49 S CA 0.373 58.545 58.200 -0.047 0.000 1.075 49 S CB 0.311 63.481 63.200 -0.049 0.000 0.849 49 S HN 0.999 nan 8.310 nan 0.000 0.494 50 V N 1.908 121.803 119.914 -0.032 0.000 3.102 50 V HA 0.672 4.789 4.120 -0.004 0.000 0.312 50 V C -0.547 175.535 176.094 -0.019 0.000 1.135 50 V CA -1.212 61.070 62.300 -0.030 0.000 1.022 50 V CB 1.630 33.436 31.823 -0.028 0.000 1.056 50 V HN 0.685 nan 8.190 nan 0.000 0.436 51 I N 2.894 123.453 120.570 -0.019 0.000 2.304 51 I HA 0.430 4.597 4.170 -0.004 0.000 0.291 51 I C -0.731 175.383 176.117 -0.006 0.000 1.018 51 I CA -0.338 60.958 61.300 -0.006 0.000 1.260 51 I CB 1.442 39.437 38.000 -0.007 0.000 1.390 51 I HN 0.524 nan 8.210 nan 0.000 0.475 52 L N 7.036 128.259 121.223 0.001 0.000 2.298 52 L HA 0.423 4.761 4.340 -0.004 0.000 0.284 52 L C -0.239 176.634 176.870 0.006 0.000 1.013 52 L CA -0.107 54.733 54.840 -0.001 0.000 0.824 52 L CB 0.646 42.703 42.059 -0.004 0.000 1.221 52 L HN 0.498 nan 8.230 nan 0.000 0.418 53 D N 4.986 125.388 120.400 0.003 0.000 2.720 53 D HA -0.219 4.418 4.640 -0.004 0.000 0.229 53 D C 1.161 177.471 176.300 0.018 0.000 1.198 53 D CA 1.434 55.438 54.000 0.007 0.000 0.639 53 D CB -0.885 39.917 40.800 0.004 0.000 1.003 53 D HN 1.209 nan 8.370 nan 0.000 0.411 54 G N -0.632 108.181 108.800 0.022 0.000 2.184 54 G HA2 -0.346 3.612 3.960 -0.004 0.000 0.264 54 G HA3 -0.346 3.612 3.960 -0.004 0.000 0.264 54 G C 0.256 175.195 174.900 0.065 0.000 0.975 54 G CA 0.733 45.855 45.100 0.037 0.000 0.642 54 G HN 0.480 nan 8.290 nan 0.000 0.536 55 K N 0.143 120.576 120.400 0.054 0.000 2.259 55 K HA 0.606 4.924 4.320 -0.004 0.000 0.252 55 K C -0.225 176.403 176.600 0.045 0.000 0.936 55 K CA -0.887 55.442 56.287 0.069 0.000 0.810 55 K CB 2.957 35.486 32.500 0.050 0.000 1.143 55 K HN 0.016 nan 8.250 nan 0.000 0.427 56 V N 3.479 123.410 119.914 0.029 0.000 2.408 56 V HA 0.125 4.242 4.120 -0.004 0.000 0.267 56 V C 0.202 176.300 176.094 0.007 0.000 1.047 56 V CA -0.498 61.781 62.300 -0.034 0.000 0.937 56 V CB 0.742 32.431 31.823 -0.222 0.000 0.999 56 V HN 0.559 nan 8.190 nan 0.000 0.472 57 V N 3.291 123.207 119.914 0.004 0.000 2.960 57 V HA 0.687 4.805 4.120 -0.004 0.000 0.315 57 V C -0.292 175.799 176.094 -0.006 0.000 1.087 57 V CA -1.473 60.831 62.300 0.006 0.000 0.982 57 V CB 2.083 33.905 31.823 -0.002 0.000 1.039 57 V HN 0.712 nan 8.190 nan 0.000 0.437 58 R N 1.822 122.316 120.500 -0.010 0.000 2.196 58 R HA 0.621 4.959 4.340 -0.004 0.000 0.340 58 R C 1.204 177.495 176.300 -0.014 0.000 1.043 58 R CA 0.279 56.369 56.100 -0.017 0.000 0.883 58 R CB 1.343 31.630 30.300 -0.021 0.000 1.078 58 R HN 1.003 nan 8.270 nan 0.000 0.462 59 A N 2.410 125.221 122.820 -0.016 0.000 2.070 59 A HA -0.186 4.131 4.320 -0.004 0.000 0.220 59 A C 1.987 179.568 177.584 -0.005 0.000 1.159 59 A CA 1.511 53.541 52.037 -0.012 0.000 0.656 59 A CB -0.622 18.369 19.000 -0.015 0.000 0.800 59 A HN 0.980 nan 8.150 nan 0.000 0.453 60 C N -1.590 117.709 119.300 -0.002 0.000 2.481 60 C HA 0.256 4.714 4.460 -0.004 0.000 0.275 60 C C 1.623 176.617 174.990 0.007 0.000 1.419 60 C CA 0.752 59.775 59.018 0.008 0.000 1.773 60 C CB -1.397 26.353 27.740 0.017 0.000 1.862 60 C HN 0.796 nan 8.230 nan 0.000 0.530 61 V N -2.127 117.787 119.914 -0.002 0.000 3.159 61 V HA 0.351 4.469 4.120 -0.004 0.000 0.333 61 V C 0.055 176.144 176.094 -0.007 0.000 1.424 61 V CA 0.193 62.491 62.300 -0.004 0.000 1.125 61 V CB -0.878 30.939 31.823 -0.010 0.000 1.075 61 V HN 0.397 nan 8.190 nan 0.000 0.482 62 T N 2.433 116.983 114.554 -0.007 0.000 2.770 62 T HA 0.429 4.776 4.350 -0.004 0.000 0.297 62 T C -0.112 174.584 174.700 -0.006 0.000 0.997 62 T CA -0.228 61.867 62.100 -0.008 0.000 0.949 62 T CB 1.109 69.971 68.868 -0.010 0.000 0.941 62 T HN 0.435 nan 8.240 nan 0.000 0.457 63 K N 2.834 123.231 120.400 -0.006 0.000 2.154 63 K HA 0.302 4.620 4.320 -0.004 0.000 0.264 63 K C 1.216 177.812 176.600 -0.008 0.000 1.008 63 K CA -0.872 55.412 56.287 -0.005 0.000 0.937 63 K CB 0.593 33.091 32.500 -0.003 0.000 1.002 63 K HN 0.339 nan 8.250 nan 0.000 0.469 64 M N 2.021 121.617 119.600 -0.008 0.000 2.279 64 M HA -0.160 4.317 4.480 -0.004 0.000 0.264 64 M C 1.716 178.006 176.300 -0.016 0.000 1.062 64 M CA 1.687 56.979 55.300 -0.013 0.000 1.099 64 M CB -0.892 31.701 32.600 -0.012 0.000 1.394 64 M HN 0.573 nan 8.290 nan 0.000 0.426 65 K N -0.744 119.649 120.400 -0.012 0.000 2.280 65 K HA -0.112 4.206 4.320 -0.004 0.000 0.202 65 K C 1.490 178.082 176.600 -0.014 0.000 1.047 65 K CA 0.859 57.138 56.287 -0.013 0.000 0.942 65 K CB -0.198 32.297 32.500 -0.009 0.000 0.739 65 K HN 0.148 nan 8.250 nan 0.000 0.457 66 R N 1.219 121.711 120.500 -0.013 0.000 2.313 66 R HA 0.131 4.468 4.340 -0.004 0.000 0.199 66 R C -0.000 176.291 176.300 -0.015 0.000 0.958 66 R CA 0.167 56.259 56.100 -0.013 0.000 1.047 66 R CB 0.101 30.394 30.300 -0.012 0.000 0.955 66 R HN 0.047 nan 8.270 nan 0.000 0.481 67 V N 1.989 121.892 119.914 -0.018 0.000 2.348 67 V HA 0.349 4.466 4.120 -0.004 0.000 0.270 67 V C 0.625 176.704 176.094 -0.025 0.000 1.037 67 V CA -1.024 61.264 62.300 -0.021 0.000 0.872 67 V CB 0.909 32.717 31.823 -0.024 0.000 1.002 67 V HN 0.124 nan 8.190 nan 0.000 0.464 68 A N 3.795 126.601 122.820 -0.023 0.000 2.332 68 A HA 0.444 4.762 4.320 -0.004 0.000 0.258 68 A C 0.043 177.608 177.584 -0.032 0.000 1.087 68 A CA -0.580 51.442 52.037 -0.025 0.000 0.802 68 A CB 0.088 19.076 19.000 -0.019 0.000 1.042 68 A HN 0.847 nan 8.150 nan 0.000 0.489 69 D N 0.492 120.871 120.400 -0.035 0.000 2.487 69 D HA 0.383 5.021 4.640 -0.004 0.000 0.243 69 D C 1.193 177.473 176.300 -0.033 0.000 1.154 69 D CA 1.873 55.849 54.000 -0.042 0.000 0.876 69 D CB 0.236 41.012 40.800 -0.040 0.000 1.161 69 D HN 1.124 nan 8.370 nan 0.000 0.478 70 G N 1.167 109.945 108.800 -0.036 0.000 2.148 70 G HA2 -0.164 3.793 3.960 -0.004 0.000 0.254 70 G HA3 -0.164 3.793 3.960 -0.004 0.000 0.254 70 G C 0.548 175.435 174.900 -0.022 0.000 0.981 70 G CA 0.019 45.103 45.100 -0.027 0.000 0.670 70 G HN 0.868 nan 8.290 nan 0.000 0.528 71 A N -0.464 122.341 122.820 -0.024 0.000 2.448 71 A HA 0.568 4.886 4.320 -0.004 0.000 0.239 71 A C 0.568 178.142 177.584 -0.017 0.000 1.080 71 A CA 0.484 52.510 52.037 -0.019 0.000 0.779 71 A CB 0.299 19.287 19.000 -0.021 0.000 1.026 71 A HN 0.454 nan 8.150 nan 0.000 0.499 72 Q N 0.633 120.425 119.800 -0.013 0.000 2.333 72 Q HA 0.537 4.874 4.340 -0.004 0.000 0.268 72 Q C -1.243 174.750 176.000 -0.011 0.000 1.007 72 Q CA 0.012 55.808 55.803 -0.011 0.000 0.810 72 Q CB 1.854 30.588 28.738 -0.007 0.000 1.264 72 Q HN 0.650 nan 8.270 nan 0.000 0.452 73 I N 1.383 121.945 120.570 -0.014 0.000 2.474 73 I HA 0.382 4.550 4.170 -0.004 0.000 0.294 73 I C -0.215 175.891 176.117 -0.018 0.000 1.005 73 I CA -0.517 60.774 61.300 -0.016 0.000 1.113 73 I CB 2.233 40.222 38.000 -0.018 0.000 1.289 73 I HN 0.331 nan 8.210 nan 0.000 0.436 74 T N 3.441 117.981 114.554 -0.022 0.000 2.812 74 T HA 0.466 4.814 4.350 -0.004 0.000 0.282 74 T C 0.033 174.710 174.700 -0.038 0.000 0.990 74 T CA -0.675 61.407 62.100 -0.030 0.000 0.960 74 T CB 1.480 70.327 68.868 -0.035 0.000 0.948 74 T HN 0.752 nan 8.240 nan 0.000 0.438 75 T N 0.016 114.546 114.554 -0.040 0.000 2.889 75 T HA 0.527 4.875 4.350 -0.004 0.000 0.278 75 T C 1.410 176.074 174.700 -0.060 0.000 0.995 75 T CA -0.818 61.254 62.100 -0.048 0.000 0.966 75 T CB 0.694 69.539 68.868 -0.039 0.000 1.237 75 T HN 0.220 nan 8.240 nan 0.000 0.591 76 I N 0.941 121.470 120.570 -0.068 0.000 2.264 76 I HA -0.072 4.096 4.170 -0.004 0.000 0.248 76 I C 2.204 178.287 176.117 -0.056 0.000 1.111 76 I CA 1.650 62.903 61.300 -0.079 0.000 1.382 76 I CB -0.666 37.283 38.000 -0.086 0.000 1.060 76 I HN 0.776 nan 8.210 nan 0.000 0.418 77 E N 0.096 120.273 120.200 -0.039 0.000 2.204 77 E HA -0.115 4.232 4.350 -0.004 0.000 0.195 77 E C 2.156 178.745 176.600 -0.019 0.000 0.990 77 E CA 1.188 57.574 56.400 -0.023 0.000 0.821 77 E CB -0.572 29.118 29.700 -0.017 0.000 0.750 77 E HN 0.612 nan 8.360 nan 0.000 0.477 78 G N -0.394 108.390 108.800 -0.028 0.000 2.683 78 G HA2 -0.067 3.891 3.960 -0.004 0.000 0.213 78 G HA3 -0.067 3.891 3.960 -0.004 0.000 0.213 78 G C 1.543 176.426 174.900 -0.028 0.000 1.142 78 G CA 0.103 45.190 45.100 -0.022 0.000 0.793 78 G HN 0.135 nan 8.290 nan 0.000 0.534 79 V N 0.438 120.316 119.914 -0.059 0.000 2.358 79 V HA 0.335 4.453 4.120 -0.004 0.000 0.246 79 V C 1.441 177.533 176.094 -0.004 0.000 1.047 79 V CA 1.563 63.802 62.300 -0.102 0.000 1.035 79 V CB -0.599 31.107 31.823 -0.196 0.000 0.658 79 V HN 0.580 nan 8.190 nan 0.000 0.452 80 G N -1.254 107.551 108.800 0.008 0.000 2.355 80 G HA2 0.551 4.508 3.960 -0.004 0.000 0.296 80 G HA3 0.551 4.508 3.960 -0.004 0.000 0.296 80 G C -2.030 172.885 174.900 0.025 0.000 1.507 80 G CA -0.688 44.439 45.100 0.046 0.000 0.823 80 G HN 0.134 nan 8.290 nan 0.000 0.569 81 Q N 0.016 119.835 119.800 0.031 0.000 2.458 81 Q HA 0.597 4.935 4.340 -0.004 0.000 0.282 81 Q C -2.053 173.964 176.000 0.029 0.000 1.106 81 Q CA -1.752 54.065 55.803 0.023 0.000 0.814 81 Q CB 2.176 30.925 28.738 0.018 0.000 1.425 81 Q HN 0.230 nan 8.270 nan 0.000 0.437 82 P HA -0.220 nan 4.420 nan 0.000 0.217 82 P C 0.179 177.497 177.300 0.029 0.000 1.151 82 P CA 1.395 64.513 63.100 0.029 0.000 0.849 82 P CB 0.386 32.102 31.700 0.027 0.000 0.787 83 E N -2.331 117.884 120.200 0.025 0.000 2.479 83 E HA 0.035 4.383 4.350 -0.004 0.000 0.193 83 E C 0.263 176.878 176.600 0.025 0.000 1.049 83 E CA 0.022 56.437 56.400 0.024 0.000 0.870 83 E CB -0.252 29.459 29.700 0.020 0.000 0.944 83 E HN 0.008 nan 8.360 nan 0.000 0.492 84 N N 0.099 118.817 118.700 0.030 0.000 2.673 84 N HA 0.132 4.869 4.740 -0.004 0.000 0.265 84 N C -1.558 173.981 175.510 0.048 0.000 1.709 84 N CA -0.161 52.909 53.050 0.033 0.000 0.792 84 N CB 0.162 38.666 38.487 0.029 0.000 1.286 84 N HN -0.056 nan 8.380 nan 0.000 0.506 85 L N 1.345 122.599 121.223 0.051 0.000 2.416 85 L HA 0.217 4.555 4.340 -0.004 0.000 0.272 85 L C 1.107 178.033 176.870 0.094 0.000 1.161 85 L CA -0.411 54.474 54.840 0.075 0.000 0.845 85 L CB 0.452 42.553 42.059 0.070 0.000 1.119 85 L HN 0.367 nan 8.230 nan 0.000 0.464 86 H N 5.139 124.224 119.070 0.025 0.000 2.707 86 H HA 0.074 4.628 4.556 -0.004 0.000 0.359 86 H C -1.789 173.570 175.328 0.051 0.000 1.113 86 H CA -1.397 54.669 56.048 0.028 0.000 1.422 86 H CB 1.795 31.566 29.762 0.016 0.000 1.443 86 H HN 0.360 nan 8.280 nan 0.000 0.591 87 P HA -0.186 nan 4.420 nan 0.000 0.217 87 P C 1.753 179.167 177.300 0.190 0.000 1.151 87 P CA 1.232 64.301 63.100 -0.051 0.000 0.849 87 P CB 0.166 31.759 31.700 -0.179 0.000 0.787 88 L N -1.362 120.130 121.223 0.449 0.000 2.141 88 L HA -0.181 4.157 4.340 -0.004 0.000 0.209 88 L C 2.547 179.635 176.870 0.364 0.000 1.094 88 L CA 1.470 56.566 54.840 0.425 0.000 0.763 88 L CB -0.669 41.593 42.059 0.337 0.000 0.908 88 L HN 0.026 nan 8.230 nan 0.000 0.437 89 Q N -0.456 119.499 119.800 0.259 0.000 2.137 89 Q HA -0.155 4.183 4.340 -0.004 0.000 0.198 89 Q C 2.147 178.280 176.000 0.223 0.000 0.960 89 Q CA 1.013 56.927 55.803 0.184 0.000 0.847 89 Q CB 0.074 28.877 28.738 0.107 0.000 0.915 89 Q HN 0.403 nan 8.270 nan 0.000 0.448 90 K N 0.612 121.127 120.400 0.190 0.000 2.057 90 K HA -0.094 4.223 4.320 -0.004 0.000 0.207 90 K C 2.142 178.860 176.600 0.196 0.000 1.049 90 K CA 1.160 57.539 56.287 0.153 0.000 0.931 90 K CB -0.164 32.398 32.500 0.105 0.000 0.714 90 K HN 0.123 nan 8.250 nan 0.000 0.440 91 A N 1.142 124.119 122.820 0.262 0.000 1.902 91 A HA -0.179 4.139 4.320 -0.004 0.000 0.217 91 A C 1.907 179.706 177.584 0.357 0.000 1.181 91 A CA 0.942 53.170 52.037 0.319 0.000 0.623 91 A CB -0.826 18.361 19.000 0.312 0.000 0.818 91 A HN 0.479 nan 8.150 nan 0.000 0.443 92 W N 0.314 121.698 121.300 0.140 0.000 2.335 92 W HA -0.181 4.476 4.660 -0.004 0.000 0.311 92 W C 2.173 178.737 176.519 0.075 0.000 1.213 92 W CA 1.893 59.300 57.345 0.104 0.000 1.274 92 W CB -0.277 29.228 29.460 0.076 0.000 1.148 92 W HN 0.234 nan 8.180 nan 0.000 0.498 93 V N 0.618 120.690 119.914 0.263 0.000 2.295 93 V HA -0.320 3.798 4.120 -0.004 0.000 0.246 93 V C 2.163 178.263 176.094 0.011 0.000 1.049 93 V CA 1.859 64.222 62.300 0.104 0.000 1.024 93 V CB -1.239 30.623 31.823 0.065 0.000 0.648 93 V HN 0.112 nan 8.190 nan 0.000 0.447 94 L N -0.557 120.679 121.223 0.022 0.000 2.093 94 L HA -0.147 4.190 4.340 -0.004 0.000 0.208 94 L C 2.121 178.876 176.870 -0.192 0.000 1.085 94 L CA 2.016 56.810 54.840 -0.077 0.000 0.755 94 L CB -0.494 41.514 42.059 -0.084 0.000 0.904 94 L HN 0.432 nan 8.230 nan 0.000 0.435 95 H N -0.835 118.215 119.070 -0.034 0.000 2.551 95 H HA 0.344 4.897 4.556 -0.004 0.000 0.271 95 H C 1.312 176.576 175.328 -0.107 0.000 0.984 95 H CA 0.474 56.476 56.048 -0.077 0.000 1.164 95 H CB 0.202 29.882 29.762 -0.137 0.000 1.437 95 H HN 0.380 nan 8.280 nan 0.000 0.550 96 G N 0.571 109.360 108.800 -0.019 0.000 2.198 96 G HA2 -0.309 3.649 3.960 -0.004 0.000 0.260 96 G HA3 -0.309 3.649 3.960 -0.004 0.000 0.260 96 G C 1.432 176.297 174.900 -0.058 0.000 1.025 96 G CA 0.399 45.475 45.100 -0.039 0.000 0.769 96 G HN 0.612 nan 8.290 nan 0.000 0.507 97 G N -0.110 108.597 108.800 -0.156 0.000 2.471 97 G HA2 0.361 4.318 3.960 -0.004 0.000 0.219 97 G HA3 0.361 4.318 3.960 -0.004 0.000 0.219 97 G C 1.000 175.943 174.900 0.073 0.000 1.125 97 G CA 1.184 46.090 45.100 -0.322 0.000 0.775 97 G HN 1.806 nan 8.290 nan 0.000 0.548 98 A N 0.125 123.082 122.820 0.229 0.000 2.391 98 A HA 0.603 4.921 4.320 -0.004 0.000 0.316 98 A C 0.869 178.525 177.584 0.121 0.000 1.381 98 A CA -0.348 51.830 52.037 0.236 0.000 0.998 98 A CB 0.547 19.697 19.000 0.250 0.000 1.147 98 A HN 0.387 nan 8.150 nan 0.000 0.545 99 Q N 1.184 121.052 119.800 0.114 0.000 2.010 99 Q HA -0.044 4.294 4.340 -0.004 0.000 0.215 99 Q C 2.280 178.350 176.000 0.117 0.000 0.984 99 Q CA 1.304 57.153 55.803 0.078 0.000 0.853 99 Q CB -0.179 28.603 28.738 0.072 0.000 0.922 99 Q HN 1.068 nan 8.270 nan 0.000 0.478 100 C N -0.621 118.773 119.300 0.158 0.000 2.432 100 C HA 0.266 4.724 4.460 -0.004 0.000 0.280 100 C C 1.749 176.951 174.990 0.354 0.000 1.353 100 C CA 0.417 59.572 59.018 0.228 0.000 1.766 100 C CB -1.147 26.710 27.740 0.195 0.000 1.924 100 C HN 0.892 nan 8.230 nan 0.000 0.509 101 G N -0.514 108.467 108.800 0.302 0.000 2.179 101 G HA2 -0.369 3.588 3.960 -0.004 0.000 0.260 101 G HA3 -0.369 3.588 3.960 -0.004 0.000 0.260 101 G C 0.433 175.515 174.900 0.304 0.000 0.977 101 G CA 0.483 45.775 45.100 0.320 0.000 0.641 101 G HN 0.638 nan 8.290 nan 0.000 0.533 102 F N 1.026 121.010 119.950 0.056 0.000 2.234 102 F HA -0.046 4.478 4.527 -0.004 0.000 0.299 102 F C 2.798 178.590 175.800 -0.014 0.000 1.087 102 F CA 2.391 60.283 58.000 -0.180 0.000 1.340 102 F CB -0.012 38.812 39.000 -0.294 0.000 1.031 102 F HN 0.557 nan 8.300 nan 0.000 0.500 103 C N -1.682 117.732 119.300 0.191 0.000 2.673 103 C HA 0.190 4.648 4.460 -0.004 0.000 0.264 103 C C 2.639 177.776 174.990 0.244 0.000 1.304 103 C CA 0.300 59.459 59.018 0.236 0.000 1.727 103 C CB -1.223 26.784 27.740 0.445 0.000 1.932 103 C HN 0.302 nan 8.230 nan 0.000 0.563 104 S N 3.266 119.051 115.700 0.140 0.000 2.353 104 S HA -0.084 4.383 4.470 -0.004 0.000 0.222 104 S C -0.419 174.077 174.600 -0.173 0.000 1.035 104 S CA 2.240 60.436 58.200 -0.006 0.000 1.025 104 S CB -1.458 61.746 63.200 0.006 0.000 0.902 104 S HN 0.517 nan 8.310 nan 0.000 0.440 105 P HA -0.071 nan 4.420 nan 0.000 0.214 105 P C 1.786 179.005 177.300 -0.136 0.000 1.163 105 P CA 1.489 64.498 63.100 -0.151 0.000 0.889 105 P CB -0.529 31.093 31.700 -0.131 0.000 0.790 106 G N -1.556 107.182 108.800 -0.104 0.000 2.440 106 G HA2 -0.270 3.687 3.960 -0.004 0.000 0.218 106 G HA3 -0.270 3.687 3.960 -0.004 0.000 0.218 106 G C 1.398 176.244 174.900 -0.088 0.000 1.154 106 G CA 0.463 45.504 45.100 -0.099 0.000 0.767 106 G HN 0.168 nan 8.290 nan 0.000 0.552 107 F N 0.548 120.420 119.950 -0.130 0.000 2.102 107 F HA 0.035 4.559 4.527 -0.004 0.000 0.298 107 F C 2.632 178.327 175.800 -0.175 0.000 1.105 107 F CA 1.009 58.927 58.000 -0.138 0.000 1.239 107 F CB -0.090 38.849 39.000 -0.103 0.000 0.991 107 F HN 0.051 nan 8.300 nan 0.000 0.474 108 I N -1.100 119.288 120.570 -0.305 0.000 2.252 108 I HA -0.265 3.902 4.170 -0.004 0.000 0.245 108 I C 2.221 178.244 176.117 -0.156 0.000 1.102 108 I CA 0.755 61.811 61.300 -0.406 0.000 1.385 108 I CB -0.469 37.185 38.000 -0.577 0.000 1.064 108 I HN -0.104 nan 8.210 nan 0.000 0.414 109 V N -0.254 119.586 119.914 -0.123 0.000 2.295 109 V HA -0.323 3.794 4.120 -0.004 0.000 0.246 109 V C 2.601 178.698 176.094 0.004 0.000 1.049 109 V CA 2.285 64.537 62.300 -0.079 0.000 1.024 109 V CB -0.548 31.231 31.823 -0.074 0.000 0.648 109 V HN 0.464 nan 8.190 nan 0.000 0.447 110 S N -0.292 115.462 115.700 0.090 0.000 2.359 110 S HA -0.213 4.255 4.470 -0.004 0.000 0.224 110 S C 2.127 176.908 174.600 0.300 0.000 1.035 110 S CA 1.701 60.054 58.200 0.255 0.000 1.018 110 S CB -0.383 63.028 63.200 0.351 0.000 0.876 110 S HN 0.629 nan 8.310 nan 0.000 0.448 111 A N 1.119 124.126 122.820 0.312 0.000 1.972 111 A HA -0.083 4.234 4.320 -0.004 0.000 0.219 111 A C 2.156 179.687 177.584 -0.090 0.000 1.169 111 A CA 1.611 53.725 52.037 0.130 0.000 0.635 111 A CB -0.563 18.678 19.000 0.402 0.000 0.810 111 A HN 0.558 nan 8.150 nan 0.000 0.446 112 K N -0.606 119.754 120.400 -0.066 0.000 2.057 112 K HA -0.095 4.222 4.320 -0.004 0.000 0.206 112 K C 2.102 178.623 176.600 -0.132 0.000 1.050 112 K CA 1.166 57.384 56.287 -0.115 0.000 0.935 112 K CB -0.468 31.928 32.500 -0.174 0.000 0.715 112 K HN 0.425 nan 8.250 nan 0.000 0.439 113 G N 1.890 110.635 108.800 -0.093 0.000 2.440 113 G HA2 -0.263 3.694 3.960 -0.004 0.000 0.218 113 G HA3 -0.263 3.694 3.960 -0.004 0.000 0.218 113 G C 1.436 176.103 174.900 -0.389 0.000 1.154 113 G CA 0.801 45.870 45.100 -0.050 0.000 0.767 113 G HN 0.300 nan 8.290 nan 0.000 0.552 114 L N 0.580 121.233 121.223 -0.949 0.000 1.994 114 L HA 0.048 4.386 4.340 -0.004 0.000 0.208 114 L C 2.649 179.080 176.870 -0.732 0.000 1.071 114 L CA 1.538 55.389 54.840 -1.648 0.000 0.745 114 L CB -0.528 40.452 42.059 -1.798 0.000 0.892 114 L HN 0.213 nan 8.230 nan 0.000 0.431 115 L N -0.721 120.250 121.223 -0.420 0.000 2.201 115 L HA -0.131 4.207 4.340 -0.004 0.000 0.212 115 L C 1.819 178.599 176.870 -0.150 0.000 1.105 115 L CA 0.770 55.478 54.840 -0.219 0.000 0.775 115 L CB -0.799 41.201 42.059 -0.099 0.000 0.913 115 L HN 0.280 nan 8.230 nan 0.000 0.440 116 D N -0.625 119.687 120.400 -0.148 0.000 2.312 116 D HA -0.104 4.534 4.640 -0.004 0.000 0.211 116 D C 2.073 178.330 176.300 -0.072 0.000 0.964 116 D CA 1.582 55.535 54.000 -0.079 0.000 0.877 116 D CB 0.195 40.965 40.800 -0.049 0.000 0.924 116 D HN 0.421 nan 8.370 nan 0.000 0.515 117 T N -3.525 110.956 114.554 -0.122 0.000 2.987 117 T HA 0.059 4.406 4.350 -0.004 0.000 0.248 117 T C 0.628 175.284 174.700 -0.072 0.000 0.997 117 T CA -0.319 61.745 62.100 -0.061 0.000 1.013 117 T CB 0.397 69.272 68.868 0.011 0.000 1.077 117 T HN -0.163 nan 8.240 nan 0.000 0.483 118 N N 0.856 119.467 118.700 -0.148 0.000 2.617 118 N HA 0.620 5.357 4.740 -0.004 0.000 0.263 118 N C 0.707 176.143 175.510 -0.123 0.000 1.074 118 N CA 0.038 53.019 53.050 -0.115 0.000 0.841 118 N CB 1.492 39.910 38.487 -0.115 0.000 1.221 118 N HN 0.266 nan 8.380 nan 0.000 0.529 119 A N 2.215 124.988 122.820 -0.078 0.000 1.969 119 A HA -0.063 4.255 4.320 -0.004 0.000 0.218 119 A C 0.700 178.253 177.584 -0.053 0.000 1.169 119 A CA 1.224 53.224 52.037 -0.062 0.000 0.635 119 A CB -0.027 18.951 19.000 -0.038 0.000 0.810 119 A HN 0.599 nan 8.150 nan 0.000 0.445 120 D N -0.390 119.981 120.400 -0.048 0.000 2.607 120 D HA 0.299 4.936 4.640 -0.004 0.000 0.318 120 D C -2.697 173.579 176.300 -0.040 0.000 1.212 120 D CA -1.805 52.173 54.000 -0.037 0.000 0.861 120 D CB 0.711 41.497 40.800 -0.023 0.000 1.064 120 D HN 0.179 nan 8.370 nan 0.000 0.500 121 P HA 0.174 nan 4.420 nan 0.000 0.274 121 P C 0.068 177.346 177.300 -0.036 0.000 1.231 121 P CA -0.418 62.648 63.100 -0.056 0.000 0.790 121 P CB 1.285 32.926 31.700 -0.098 0.000 0.951 122 S N 1.988 117.674 115.700 -0.024 0.000 2.624 122 S HA 0.217 4.685 4.470 -0.004 0.000 0.263 122 S C 1.368 175.959 174.600 -0.015 0.000 1.287 122 S CA -0.572 57.619 58.200 -0.015 0.000 0.990 122 S CB 0.798 63.993 63.200 -0.007 0.000 0.950 122 S HN 0.354 nan 8.310 nan 0.000 0.561 123 R N 0.598 121.093 120.500 -0.009 0.000 2.105 123 R HA -0.090 4.248 4.340 -0.004 0.000 0.239 123 R C 2.281 178.588 176.300 0.012 0.000 1.135 123 R CA 1.742 57.842 56.100 -0.001 0.000 0.967 123 R CB -0.340 29.958 30.300 -0.004 0.000 0.861 123 R HN 0.745 nan 8.270 nan 0.000 0.442 124 E N 0.434 120.640 120.200 0.010 0.000 2.072 124 E HA -0.165 4.183 4.350 -0.004 0.000 0.191 124 E C 1.477 178.093 176.600 0.027 0.000 0.985 124 E CA 0.982 57.394 56.400 0.019 0.000 0.801 124 E CB -0.023 29.684 29.700 0.012 0.000 0.750 124 E HN 0.310 nan 8.360 nan 0.000 0.452 125 D N 0.518 120.928 120.400 0.017 0.000 2.116 125 D HA -0.150 4.487 4.640 -0.004 0.000 0.193 125 D C 2.138 178.453 176.300 0.024 0.000 0.998 125 D CA 0.907 54.923 54.000 0.027 0.000 0.836 125 D CB -0.318 40.481 40.800 -0.000 0.000 0.951 125 D HN 0.016 nan 8.370 nan 0.000 0.449 126 V N 1.097 120.992 119.914 -0.032 0.000 2.255 126 V HA -0.277 3.841 4.120 -0.004 0.000 0.247 126 V C 2.532 178.598 176.094 -0.046 0.000 1.051 126 V CA 1.818 64.045 62.300 -0.122 0.000 1.018 126 V CB -0.448 31.335 31.823 -0.066 0.000 0.641 126 V HN 0.131 nan 8.190 nan 0.000 0.445 127 R N -0.046 120.504 120.500 0.084 0.000 2.083 127 R HA -0.185 4.153 4.340 -0.004 0.000 0.237 127 R C 2.133 178.517 176.300 0.140 0.000 1.137 127 R CA 1.922 58.114 56.100 0.155 0.000 0.951 127 R CB -0.595 29.762 30.300 0.095 0.000 0.851 127 R HN 0.518 nan 8.270 nan 0.000 0.434 128 D N -0.202 120.256 120.400 0.097 0.000 2.116 128 D HA -0.253 4.384 4.640 -0.004 0.000 0.193 128 D C 1.456 177.827 176.300 0.118 0.000 0.998 128 D CA 0.897 54.947 54.000 0.084 0.000 0.836 128 D CB -0.375 40.469 40.800 0.073 0.000 0.951 128 D HN 0.362 nan 8.370 nan 0.000 0.449 129 W N 0.712 121.989 121.300 -0.038 0.000 2.379 129 W HA -0.151 4.506 4.660 -0.004 0.000 0.307 129 W C 1.953 178.567 176.519 0.160 0.000 1.200 129 W CA 0.902 58.257 57.345 0.018 0.000 1.297 129 W CB -0.768 28.611 29.460 -0.134 0.000 1.140 129 W HN 0.005 nan 8.180 nan 0.000 0.507 130 F N 0.779 120.973 119.950 0.407 0.000 2.293 130 F HA -0.263 4.262 4.527 -0.004 0.000 0.300 130 F C 2.627 178.496 175.800 0.115 0.000 1.086 130 F CA 1.285 59.454 58.000 0.283 0.000 1.375 130 F CB -0.504 38.734 39.000 0.398 0.000 1.045 130 F HN -0.010 nan 8.300 nan 0.000 0.516 131 Q N 1.500 121.437 119.800 0.227 0.000 2.049 131 Q HA -0.193 4.144 4.340 -0.004 0.000 0.198 131 Q C 2.136 178.083 176.000 -0.087 0.000 0.971 131 Q CA 1.692 57.535 55.803 0.066 0.000 0.833 131 Q CB -0.268 28.488 28.738 0.030 0.000 0.896 131 Q HN 0.261 nan 8.270 nan 0.000 0.434 132 K N -0.986 119.305 120.400 -0.182 0.000 2.057 132 K HA -0.185 4.133 4.320 -0.004 0.000 0.207 132 K C 1.280 177.562 176.600 -0.530 0.000 1.049 132 K CA 1.511 57.550 56.287 -0.413 0.000 0.931 132 K CB -0.174 31.966 32.500 -0.600 0.000 0.714 132 K HN 0.441 nan 8.250 nan 0.000 0.440 133 H N 0.284 119.192 119.070 -0.271 0.000 2.526 133 H HA 0.185 4.738 4.556 -0.004 0.000 0.274 133 H C 0.006 175.258 175.328 -0.126 0.000 0.999 133 H CA 0.217 56.122 56.048 -0.239 0.000 1.157 133 H CB 0.368 29.947 29.762 -0.305 0.000 1.407 133 H HN 0.209 nan 8.280 nan 0.000 0.568 134 R N 0.945 121.426 120.500 -0.031 0.000 3.651 134 R HA -0.127 4.210 4.340 -0.004 0.000 0.292 134 R C -0.682 175.681 176.300 0.105 0.000 1.161 134 R CA 0.074 56.161 56.100 -0.022 0.000 0.787 134 R CB -1.975 28.238 30.300 -0.146 0.000 1.249 134 R HN 0.360 nan 8.270 nan 0.000 0.476 135 N N 1.070 119.793 118.700 0.039 0.000 2.406 135 N HA 0.230 4.968 4.740 -0.004 0.000 0.265 135 N C 0.135 175.703 175.510 0.096 0.000 1.203 135 N CA 0.577 53.454 53.050 -0.289 0.000 0.945 135 N CB 1.211 39.055 38.487 -1.070 0.000 1.165 135 N HN 0.301 nan 8.380 nan 0.000 0.485 136 A N 1.878 124.837 122.820 0.231 0.000 2.312 136 A HA 0.534 4.852 4.320 -0.004 0.000 0.326 136 A C -0.292 177.610 177.584 0.530 0.000 1.172 136 A CA -0.613 51.685 52.037 0.436 0.000 0.821 136 A CB 1.027 19.982 19.000 -0.075 0.000 1.166 136 A HN 0.709 nan 8.150 nan 0.000 0.493 137 C N 2.210 121.797 119.300 0.478 0.000 2.535 137 C HA 0.764 5.222 4.460 -0.004 0.000 0.319 137 C C 0.906 175.939 174.990 0.071 0.000 1.171 137 C CA -0.540 58.587 59.018 0.181 0.000 1.394 137 C CB 1.510 29.155 27.740 -0.158 0.000 1.990 137 C HN 1.081 nan 8.230 nan 0.000 0.466 138 R N 2.376 122.985 120.500 0.183 0.000 2.334 138 R HA 0.313 4.650 4.340 -0.004 0.000 0.212 138 R C 1.270 177.568 176.300 -0.003 0.000 0.897 138 R CA 1.178 57.306 56.100 0.047 0.000 1.056 138 R CB -0.607 29.794 30.300 0.169 0.000 1.046 138 R HN 0.863 nan 8.270 nan 0.000 0.513 139 C N -1.587 117.801 119.300 0.145 0.000 2.513 139 C HA 0.167 4.624 4.460 -0.004 0.000 0.292 139 C C 2.130 177.157 174.990 0.061 0.000 1.359 139 C CA 0.954 60.105 59.018 0.222 0.000 1.778 139 C CB 0.092 27.968 27.740 0.227 0.000 2.180 139 C HN 0.646 nan 8.230 nan 0.000 0.509 140 T N -2.830 111.686 114.554 -0.064 0.000 3.001 140 T HA 0.330 4.678 4.350 -0.004 0.000 0.251 140 T C 1.522 176.190 174.700 -0.055 0.000 1.040 140 T CA 1.165 63.231 62.100 -0.056 0.000 0.985 140 T CB -0.008 68.783 68.868 -0.128 0.000 1.011 140 T HN 0.851 nan 8.240 nan 0.000 0.509 141 G N 1.051 109.741 108.800 -0.184 0.000 2.179 141 G HA2 -0.369 3.588 3.960 -0.004 0.000 0.257 141 G HA3 -0.369 3.588 3.960 -0.004 0.000 0.257 141 G C 0.565 175.472 174.900 0.012 0.000 1.010 141 G CA 0.639 45.687 45.100 -0.086 0.000 0.736 141 G HN 0.691 nan 8.290 nan 0.000 0.513 142 Y N -2.077 118.181 120.300 -0.070 0.000 3.299 142 Y HA -0.402 4.146 4.550 -0.004 0.000 0.448 142 Y C 2.203 178.013 175.900 -0.150 0.000 1.224 142 Y CA 2.766 60.810 58.100 -0.093 0.000 2.431 142 Y CB -1.621 36.861 38.460 0.037 0.000 0.866 142 Y HN 0.501 nan 8.280 nan 0.000 0.499 143 K N 0.908 121.261 120.400 -0.078 0.000 2.020 143 K HA -0.187 4.130 4.320 -0.004 0.000 0.212 143 K C -1.126 175.343 176.600 -0.218 0.000 1.050 143 K CA 2.405 58.559 56.287 -0.221 0.000 0.929 143 K CB -0.768 31.401 32.500 -0.553 0.000 0.714 143 K HN 0.314 nan 8.250 nan 0.000 0.443 144 P HA -0.129 nan 4.420 nan 0.000 0.220 144 P C 0.989 178.033 177.300 -0.427 0.000 1.148 144 P CA 1.168 64.146 63.100 -0.203 0.000 0.803 144 P CB 0.002 31.643 31.700 -0.099 0.000 0.782 145 L N -1.617 119.322 121.223 -0.473 0.000 2.072 145 L HA -0.104 4.233 4.340 -0.004 0.000 0.205 145 L C 2.354 179.015 176.870 -0.348 0.000 1.079 145 L CA 1.163 55.566 54.840 -0.728 0.000 0.752 145 L CB -1.400 40.299 42.059 -0.600 0.000 0.906 145 L HN -0.155 nan 8.230 nan 0.000 0.436 146 V N 0.022 119.893 119.914 -0.071 0.000 2.295 146 V HA -0.279 3.838 4.120 -0.004 0.000 0.246 146 V C 2.157 178.175 176.094 -0.127 0.000 1.049 146 V CA 1.947 64.269 62.300 0.037 0.000 1.024 146 V CB -0.612 31.255 31.823 0.073 0.000 0.648 146 V HN 0.383 nan 8.190 nan 0.000 0.447 147 D N 0.612 120.863 120.400 -0.249 0.000 2.149 147 D HA -0.204 4.433 4.640 -0.004 0.000 0.194 147 D C 2.161 178.079 176.300 -0.638 0.000 1.001 147 D CA 1.890 55.638 54.000 -0.420 0.000 0.849 147 D CB -0.360 40.160 40.800 -0.466 0.000 0.939 147 D HN 0.474 nan 8.370 nan 0.000 0.449 148 A N 0.133 122.591 122.820 -0.603 0.000 1.897 148 A HA -0.081 4.236 4.320 -0.004 0.000 0.215 148 A C 2.510 180.060 177.584 -0.057 0.000 1.181 148 A CA 1.064 52.858 52.037 -0.404 0.000 0.620 148 A CB -0.636 18.022 19.000 -0.570 0.000 0.821 148 A HN 0.138 nan 8.150 nan 0.000 0.443 149 V N 0.316 120.247 119.914 0.028 0.000 2.255 149 V HA -0.332 3.786 4.120 -0.004 0.000 0.247 149 V C 2.710 178.837 176.094 0.055 0.000 1.051 149 V CA 2.154 64.556 62.300 0.170 0.000 1.018 149 V CB -0.778 31.178 31.823 0.221 0.000 0.641 149 V HN 0.500 nan 8.190 nan 0.000 0.445 150 M N -0.258 119.334 119.600 -0.015 0.000 2.082 150 M HA -0.219 4.258 4.480 -0.004 0.000 0.258 150 M C 2.038 178.334 176.300 -0.006 0.000 1.069 150 M CA 1.908 57.193 55.300 -0.025 0.000 1.102 150 M CB -1.499 31.072 32.600 -0.050 0.000 1.336 150 M HN 0.372 nan 8.290 nan 0.000 0.404 151 D N -0.014 120.376 120.400 -0.016 0.000 2.117 151 D HA -0.003 4.634 4.640 -0.004 0.000 0.198 151 D C 1.946 178.292 176.300 0.077 0.000 0.982 151 D CA 1.548 55.581 54.000 0.054 0.000 0.828 151 D CB 0.074 40.964 40.800 0.150 0.000 0.967 151 D HN 0.304 nan 8.370 nan 0.000 0.464 152 A N 0.515 123.393 122.820 0.098 0.000 1.930 152 A HA 0.014 4.332 4.320 -0.004 0.000 0.217 152 A C 2.313 179.934 177.584 0.063 0.000 1.175 152 A CA 2.082 54.183 52.037 0.107 0.000 0.627 152 A CB -0.813 18.297 19.000 0.183 0.000 0.815 152 A HN 0.256 nan 8.150 nan 0.000 0.443 153 A N 0.046 122.896 122.820 0.050 0.000 1.877 153 A HA 0.118 4.435 4.320 -0.004 0.000 0.216 153 A C 2.521 180.111 177.584 0.010 0.000 1.186 153 A CA 2.195 54.244 52.037 0.020 0.000 0.620 153 A CB -1.097 17.902 19.000 -0.000 0.000 0.822 153 A HN 1.102 nan 8.150 nan 0.000 0.443 154 A N -0.626 122.203 122.820 0.014 0.000 1.908 154 A HA -0.042 4.275 4.320 -0.004 0.000 0.218 154 A C 2.251 179.840 177.584 0.008 0.000 1.181 154 A CA 1.964 54.007 52.037 0.011 0.000 0.627 154 A CB -0.929 18.082 19.000 0.018 0.000 0.818 154 A HN 0.410 nan 8.150 nan 0.000 0.445 155 V N -0.211 119.711 119.914 0.013 0.000 2.307 155 V HA -0.235 3.883 4.120 -0.004 0.000 0.245 155 V C 2.384 178.470 176.094 -0.014 0.000 1.045 155 V CA 2.017 64.317 62.300 0.001 0.000 1.024 155 V CB -0.642 31.184 31.823 0.004 0.000 0.651 155 V HN 0.562 nan 8.190 nan 0.000 0.449 156 I N 0.764 121.324 120.570 -0.017 0.000 2.361 156 I HA -0.197 3.971 4.170 -0.004 0.000 0.251 156 I C 2.098 178.206 176.117 -0.015 0.000 1.133 156 I CA 1.194 62.479 61.300 -0.025 0.000 1.413 156 I CB -0.398 37.592 38.000 -0.016 0.000 1.073 156 I HN 0.339 nan 8.210 nan 0.000 0.424 157 N N 0.766 119.460 118.700 -0.010 0.000 2.457 157 N HA -0.015 4.722 4.740 -0.004 0.000 0.180 157 N C 1.439 176.944 175.510 -0.008 0.000 1.050 157 N CA 1.185 54.229 53.050 -0.009 0.000 0.906 157 N CB 0.128 38.610 38.487 -0.008 0.000 0.968 157 N HN 0.434 nan 8.380 nan 0.000 0.445 158 G N 0.739 109.534 108.800 -0.008 0.000 2.132 158 G HA2 -0.295 3.662 3.960 -0.004 0.000 0.228 158 G HA3 -0.295 3.662 3.960 -0.004 0.000 0.228 158 G C 0.862 175.760 174.900 -0.004 0.000 1.000 158 G CA 0.441 45.537 45.100 -0.007 0.000 0.693 158 G HN 0.352 nan 8.290 nan 0.000 0.515 159 K N -0.906 119.493 120.400 -0.002 0.000 2.284 159 K HA 0.153 4.470 4.320 -0.004 0.000 0.198 159 K C 0.875 177.477 176.600 0.002 0.000 1.048 159 K CA 0.688 56.975 56.287 0.000 0.000 0.987 159 K CB 0.165 32.665 32.500 0.001 0.000 0.800 159 K HN 0.183 nan 8.250 nan 0.000 0.486 160 K N 0.804 121.206 120.400 0.004 0.000 2.469 160 K HA 0.337 4.655 4.320 -0.004 0.000 0.254 160 K C -2.874 173.728 176.600 0.003 0.000 0.939 160 K CA -2.176 54.115 56.287 0.006 0.000 0.812 160 K CB 1.780 34.288 32.500 0.013 0.000 1.301 160 K HN -0.163 nan 8.250 nan 0.000 0.433 161 P HA 0.126 nan 4.420 nan 0.000 0.275 161 P C 0.374 177.675 177.300 0.001 0.000 1.228 161 P CA -0.048 63.051 63.100 -0.001 0.000 0.786 161 P CB 1.041 32.740 31.700 -0.002 0.000 0.927 162 E N 1.019 121.217 120.200 -0.002 0.000 2.153 162 E HA -0.157 4.191 4.350 -0.004 0.000 0.194 162 E C 1.401 178.005 176.600 0.007 0.000 0.988 162 E CA 1.675 58.075 56.400 -0.000 0.000 0.811 162 E CB -0.214 29.479 29.700 -0.011 0.000 0.746 162 E HN 0.587 nan 8.360 nan 0.000 0.466 163 T N -1.060 113.496 114.554 0.003 0.000 2.946 163 T HA -0.150 4.197 4.350 -0.004 0.000 0.271 163 T C 1.070 175.770 174.700 0.001 0.000 1.104 163 T CA 1.245 63.346 62.100 0.003 0.000 1.114 163 T CB -0.228 68.639 68.868 -0.002 0.000 0.867 163 T HN 0.031 nan 8.240 nan 0.000 0.513 164 D N 0.882 121.283 120.400 0.003 0.000 2.371 164 D HA 0.130 4.767 4.640 -0.004 0.000 0.221 164 D C 1.601 177.909 176.300 0.014 0.000 0.986 164 D CA 0.342 54.342 54.000 0.001 0.000 0.899 164 D CB -0.130 40.674 40.800 0.006 0.000 0.902 164 D HN 0.443 nan 8.370 nan 0.000 0.530 165 L N 0.011 121.251 121.223 0.028 0.000 2.567 165 L HA 0.170 4.507 4.340 -0.004 0.000 0.225 165 L C 0.562 177.460 176.870 0.046 0.000 1.119 165 L CA 0.181 55.050 54.840 0.048 0.000 0.871 165 L CB 0.158 42.257 42.059 0.067 0.000 1.036 165 L HN -0.163 nan 8.230 nan 0.000 0.459 166 E N 0.359 120.580 120.200 0.036 0.000 2.283 166 E HA 0.134 4.482 4.350 -0.004 0.000 0.278 166 E C -0.704 175.935 176.600 0.064 0.000 1.027 166 E CA -0.684 55.747 56.400 0.052 0.000 0.843 166 E CB 1.136 30.858 29.700 0.037 0.000 1.062 166 E HN -0.076 nan 8.360 nan 0.000 0.401 167 F N 2.988 122.909 119.950 -0.048 0.000 2.572 167 F HA 0.065 4.590 4.527 -0.004 0.000 0.370 167 F C -0.131 175.663 175.800 -0.011 0.000 1.103 167 F CA 0.197 58.168 58.000 -0.048 0.000 1.286 167 F CB 0.393 39.344 39.000 -0.081 0.000 1.105 167 F HN 0.208 nan 8.300 nan 0.000 0.583 168 K N 7.010 126.896 120.400 -0.858 0.000 2.235 168 K HA 0.328 4.646 4.320 -0.004 0.000 0.266 168 K C -0.369 175.675 176.600 -0.926 0.000 0.980 168 K CA -0.925 54.985 56.287 -0.629 0.000 0.849 168 K CB 1.345 33.617 32.500 -0.379 0.000 1.098 168 K HN 0.498 nan 8.250 nan 0.000 0.445 169 M N 3.271 122.636 119.600 -0.392 0.000 2.249 169 M HA 0.060 4.537 4.480 -0.004 0.000 0.340 169 M C -1.495 174.714 176.300 -0.152 0.000 1.166 169 M CA -1.796 53.409 55.300 -0.157 0.000 1.115 169 M CB 0.006 32.611 32.600 0.009 0.000 1.606 169 M HN 0.349 nan 8.290 nan 0.000 0.448 170 P HA 0.073 nan 4.420 nan 0.000 0.239 170 P C 0.196 177.480 177.300 -0.026 0.000 1.184 170 P CA 0.728 63.804 63.100 -0.041 0.000 0.760 170 P CB 0.128 31.839 31.700 0.019 0.000 0.884 171 A N 0.269 123.076 122.820 -0.022 0.000 2.925 171 A HA -0.200 4.117 4.320 -0.004 0.000 0.265 171 A C 0.805 178.389 177.584 0.000 0.000 1.419 171 A CA 1.438 53.467 52.037 -0.013 0.000 0.807 171 A CB -2.294 16.692 19.000 -0.023 0.000 1.043 171 A HN 0.460 nan 8.150 nan 0.000 0.600 172 D N -3.992 116.414 120.400 0.011 0.000 2.410 172 D HA 0.399 5.037 4.640 -0.004 0.000 0.275 172 D C 1.400 177.720 176.300 0.033 0.000 1.152 172 D CA 1.059 55.069 54.000 0.017 0.000 0.825 172 D CB -0.579 40.230 40.800 0.015 0.000 1.312 172 D HN 1.762 nan 8.370 nan 0.000 0.532 173 G N 0.690 109.516 108.800 0.043 0.000 2.159 173 G HA2 -0.288 3.670 3.960 -0.004 0.000 0.227 173 G HA3 -0.288 3.670 3.960 -0.004 0.000 0.227 173 G C 0.103 175.068 174.900 0.108 0.000 0.986 173 G CA -0.184 44.960 45.100 0.074 0.000 0.651 173 G HN 0.386 nan 8.290 nan 0.000 0.523 174 R N 0.963 121.507 120.500 0.075 0.000 2.272 174 R HA 0.446 4.784 4.340 -0.004 0.000 0.334 174 R C 1.938 178.238 176.300 0.001 0.000 1.117 174 R CA 0.099 56.249 56.100 0.082 0.000 0.966 174 R CB -0.125 30.216 30.300 0.068 0.000 1.049 174 R HN 0.599 nan 8.270 nan 0.000 0.477 175 I N 1.598 122.065 120.570 -0.172 0.000 3.030 175 I HA 0.116 4.284 4.170 -0.004 0.000 0.270 175 I C 0.725 176.793 176.117 -0.081 0.000 1.211 175 I CA -0.356 60.799 61.300 -0.242 0.000 1.479 175 I CB 0.023 37.609 38.000 -0.690 0.000 1.105 175 I HN 0.420 nan 8.210 nan 0.000 0.447 176 W N 4.470 125.675 121.300 -0.158 0.000 2.322 176 W HA 0.237 4.894 4.660 -0.004 0.000 0.328 176 W C 1.021 177.481 176.519 -0.098 0.000 1.395 176 W CA 1.422 58.691 57.345 -0.127 0.000 1.267 176 W CB 0.471 29.822 29.460 -0.182 0.000 1.259 176 W HN 0.531 nan 8.180 nan 0.000 0.560 177 G N 3.195 111.709 108.800 -0.477 0.000 2.176 177 G HA2 -0.317 3.640 3.960 -0.004 0.000 0.253 177 G HA3 -0.317 3.640 3.960 -0.004 0.000 0.253 177 G C 0.323 175.123 174.900 -0.166 0.000 0.979 177 G CA 0.540 45.449 45.100 -0.319 0.000 0.641 177 G HN 1.024 nan 8.290 nan 0.000 0.530 178 S N -0.966 114.669 115.700 -0.108 0.000 2.666 178 S HA 0.698 5.166 4.470 -0.004 0.000 0.279 178 S C 0.692 175.283 174.600 -0.016 0.000 1.149 178 S CA 0.081 58.286 58.200 0.007 0.000 1.020 178 S CB 1.444 64.721 63.200 0.129 0.000 1.127 178 S HN 0.204 nan 8.310 nan 0.000 0.537 179 K N -0.301 120.159 120.400 0.100 0.000 2.498 179 K HA 0.200 4.518 4.320 -0.004 0.000 0.207 179 K C -0.889 175.563 176.600 -0.246 0.000 1.033 179 K CA -0.261 56.038 56.287 0.019 0.000 1.138 179 K CB -0.155 32.421 32.500 0.126 0.000 0.860 179 K HN 0.567 nan 8.250 nan 0.000 0.490 180 Y N 2.735 122.653 120.300 -0.636 0.000 2.805 180 Y HA -0.046 4.502 4.550 -0.004 0.000 0.331 180 Y C -2.286 173.225 175.900 -0.648 0.000 1.241 180 Y CA -1.908 55.509 58.100 -1.138 0.000 1.546 180 Y CB 0.280 38.320 38.460 -0.700 0.000 1.248 180 Y HN 0.090 nan 8.280 nan 0.000 0.559 181 P HA 0.021 nan 4.420 nan 0.000 0.267 181 P C -1.143 175.852 177.300 -0.510 0.000 1.200 181 P CA -0.009 62.722 63.100 -0.614 0.000 0.772 181 P CB 0.358 31.724 31.700 -0.556 0.000 0.855 182 R N 4.075 124.404 120.500 -0.284 0.000 2.543 182 R HA 0.194 4.532 4.340 -0.004 0.000 0.277 182 R C -1.965 174.230 176.300 -0.175 0.000 1.074 182 R CA -1.222 54.749 56.100 -0.216 0.000 1.076 182 R CB -0.688 29.493 30.300 -0.198 0.000 0.993 182 R HN 0.275 nan 8.270 nan 0.000 0.459 183 P HA -0.199 nan 4.420 nan 0.000 0.216 183 P C 0.960 178.280 177.300 0.033 0.000 1.150 183 P CA 1.813 64.907 63.100 -0.010 0.000 0.843 183 P CB 0.004 31.773 31.700 0.116 0.000 0.787 184 T N -4.111 110.440 114.554 -0.005 0.000 3.118 184 T HA 0.225 4.572 4.350 -0.004 0.000 0.260 184 T C 1.755 176.492 174.700 0.061 0.000 1.139 184 T CA 0.584 62.727 62.100 0.072 0.000 1.085 184 T CB -0.751 68.158 68.868 0.069 0.000 0.934 184 T HN -0.002 nan 8.240 nan 0.000 0.518 185 A N 1.637 124.468 122.820 0.017 0.000 1.883 185 A HA -0.017 4.301 4.320 -0.004 0.000 0.217 185 A C 2.540 180.163 177.584 0.065 0.000 1.186 185 A CA 1.790 53.852 52.037 0.041 0.000 0.624 185 A CB -1.246 17.753 19.000 -0.001 0.000 0.822 185 A HN 0.409 nan 8.150 nan 0.000 0.444 186 V N -0.211 119.730 119.914 0.045 0.000 2.287 186 V HA -0.283 3.834 4.120 -0.004 0.000 0.248 186 V C 3.078 179.207 176.094 0.058 0.000 1.053 186 V CA 2.143 64.473 62.300 0.050 0.000 1.027 186 V CB -1.262 30.583 31.823 0.037 0.000 0.646 186 V HN 0.650 nan 8.190 nan 0.000 0.447 187 A N -0.500 122.361 122.820 0.069 0.000 1.902 187 A HA -0.265 4.053 4.320 -0.004 0.000 0.217 187 A C 2.259 179.888 177.584 0.075 0.000 1.181 187 A CA 2.164 54.241 52.037 0.068 0.000 0.623 187 A CB -0.462 18.587 19.000 0.081 0.000 0.818 187 A HN 0.538 nan 8.150 nan 0.000 0.443 188 K N -0.390 120.071 120.400 0.102 0.000 2.026 188 K HA -0.111 4.207 4.320 -0.004 0.000 0.208 188 K C 1.779 178.432 176.600 0.087 0.000 1.048 188 K CA 1.663 58.034 56.287 0.140 0.000 0.929 188 K CB -0.351 32.259 32.500 0.183 0.000 0.713 188 K HN 0.520 nan 8.250 nan 0.000 0.439 189 V N -1.133 118.815 119.914 0.057 0.000 3.380 189 V HA -0.030 4.087 4.120 -0.004 0.000 0.268 189 V C 1.449 177.525 176.094 -0.030 0.000 1.168 189 V CA 1.555 63.845 62.300 -0.017 0.000 1.156 189 V CB -0.575 31.256 31.823 0.013 0.000 0.785 189 V HN 0.330 nan 8.190 nan 0.000 0.487 190 T N -3.465 111.093 114.554 0.007 0.000 3.069 190 T HA 0.421 4.768 4.350 -0.004 0.000 0.252 190 T C 1.603 176.303 174.700 0.000 0.000 1.053 190 T CA 0.525 62.626 62.100 0.000 0.000 0.964 190 T CB 0.221 69.099 68.868 0.017 0.000 1.005 190 T HN 1.456 nan 8.240 nan 0.000 0.532 191 G N 2.177 110.986 108.800 0.014 0.000 2.225 191 G HA2 -0.305 3.652 3.960 -0.004 0.000 0.267 191 G HA3 -0.305 3.652 3.960 -0.004 0.000 0.267 191 G C 0.668 175.589 174.900 0.034 0.000 1.024 191 G CA 0.732 45.849 45.100 0.028 0.000 0.784 191 G HN 0.938 nan 8.290 nan 0.000 0.507 192 T N -2.801 111.772 114.554 0.032 0.000 3.105 192 T HA 0.540 4.887 4.350 -0.004 0.000 0.253 192 T C 0.658 175.360 174.700 0.004 0.000 1.047 192 T CA 0.193 62.303 62.100 0.018 0.000 0.944 192 T CB 0.760 69.638 68.868 0.016 0.000 1.016 192 T HN 0.659 nan 8.240 nan 0.000 0.544 193 L N 2.708 123.930 121.223 -0.002 0.000 2.265 193 L HA 0.481 4.819 4.340 -0.004 0.000 0.288 193 L C -1.193 175.574 176.870 -0.172 0.000 1.058 193 L CA -0.373 54.405 54.840 -0.103 0.000 0.809 193 L CB 0.749 42.721 42.059 -0.145 0.000 1.179 193 L HN -0.008 nan 8.230 nan 0.000 0.429 194 D N 5.130 125.420 120.400 -0.182 0.000 2.347 194 D HA 0.173 4.810 4.640 -0.004 0.000 0.235 194 D C -0.433 175.788 176.300 -0.131 0.000 1.149 194 D CA 0.272 54.219 54.000 -0.087 0.000 0.850 194 D CB 0.377 41.142 40.800 -0.058 0.000 1.061 194 D HN 0.370 nan 8.370 nan 0.000 0.487 195 Y N 0.101 120.475 120.300 0.123 0.000 2.282 195 Y HA 0.292 4.839 4.550 -0.004 0.000 0.335 195 Y C 2.088 178.102 175.900 0.190 0.000 1.335 195 Y CA -0.558 57.645 58.100 0.171 0.000 1.529 195 Y CB 0.471 39.116 38.460 0.307 0.000 1.429 195 Y HN 0.385 nan 8.280 nan 0.000 0.563 196 G N 0.099 109.130 108.800 0.386 0.000 2.476 196 G HA2 -0.317 3.641 3.960 -0.004 0.000 0.218 196 G HA3 -0.317 3.641 3.960 -0.004 0.000 0.218 196 G C 1.683 176.858 174.900 0.459 0.000 1.164 196 G CA 1.192 46.534 45.100 0.403 0.000 0.768 196 G HN 0.757 nan 8.290 nan 0.000 0.560 197 A N 0.938 123.994 122.820 0.392 0.000 1.930 197 A HA -0.034 4.283 4.320 -0.004 0.000 0.217 197 A C 2.092 179.797 177.584 0.202 0.000 1.175 197 A CA 2.072 54.314 52.037 0.342 0.000 0.627 197 A CB -0.343 18.842 19.000 0.308 0.000 0.815 197 A HN 0.325 nan 8.150 nan 0.000 0.443 198 D N 0.334 120.866 120.400 0.219 0.000 2.117 198 D HA -0.124 4.513 4.640 -0.004 0.000 0.197 198 D C 1.927 178.241 176.300 0.024 0.000 0.987 198 D CA 1.120 55.193 54.000 0.122 0.000 0.829 198 D CB -0.447 40.449 40.800 0.160 0.000 0.961 198 D HN 0.462 nan 8.370 nan 0.000 0.460 199 L N 0.843 122.084 121.223 0.031 0.000 2.083 199 L HA -0.074 4.263 4.340 -0.004 0.000 0.209 199 L C 2.640 179.335 176.870 -0.291 0.000 1.083 199 L CA 1.364 56.132 54.840 -0.120 0.000 0.752 199 L CB -0.725 41.286 42.059 -0.080 0.000 0.899 199 L HN 0.080 nan 8.230 nan 0.000 0.433 200 G N 0.104 108.728 108.800 -0.293 0.000 2.442 200 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.219 200 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.219 200 G C 1.583 176.276 174.900 -0.346 0.000 1.141 200 G CA 0.536 45.222 45.100 -0.690 0.000 0.763 200 G HN 0.274 nan 8.290 nan 0.000 0.554 201 L N -0.644 120.469 121.223 -0.184 0.000 2.291 201 L HA 0.081 4.419 4.340 -0.004 0.000 0.214 201 L C 2.274 179.083 176.870 -0.102 0.000 1.120 201 L CA 0.864 55.644 54.840 -0.101 0.000 0.799 201 L CB -0.061 41.966 42.059 -0.053 0.000 0.925 201 L HN 0.197 nan 8.230 nan 0.000 0.446 202 K N -0.762 119.556 120.400 -0.137 0.000 2.372 202 K HA 0.240 4.558 4.320 -0.004 0.000 0.200 202 K C 0.384 176.882 176.600 -0.170 0.000 1.022 202 K CA -0.181 56.029 56.287 -0.129 0.000 1.125 202 K CB 0.495 32.927 32.500 -0.113 0.000 0.855 202 K HN 0.179 nan 8.250 nan 0.000 0.524 203 M N 2.173 121.642 119.600 -0.218 0.000 2.247 203 M HA 0.168 4.646 4.480 -0.004 0.000 0.326 203 M C -1.979 174.227 176.300 -0.158 0.000 1.134 203 M CA -1.865 53.289 55.300 -0.243 0.000 1.136 203 M CB 0.338 32.740 32.600 -0.331 0.000 1.454 203 M HN -0.097 nan 8.290 nan 0.000 0.467 204 P HA 0.227 nan 4.420 nan 0.000 0.274 204 P C -1.228 176.030 177.300 -0.071 0.000 1.246 204 P CA -0.486 62.553 63.100 -0.101 0.000 0.795 204 P CB 0.296 31.933 31.700 -0.105 0.000 1.006 205 A N 0.257 123.051 122.820 -0.044 0.000 2.425 205 A HA 0.462 4.780 4.320 -0.004 0.000 0.242 205 A C 1.376 178.946 177.584 -0.025 0.000 1.077 205 A CA 0.710 52.735 52.037 -0.019 0.000 0.781 205 A CB -1.068 17.925 19.000 -0.011 0.000 1.020 205 A HN 0.919 nan 8.150 nan 0.000 0.494 206 G N 0.505 109.298 108.800 -0.011 0.000 2.254 206 G HA2 -0.199 3.758 3.960 -0.004 0.000 0.225 206 G HA3 -0.199 3.758 3.960 -0.004 0.000 0.225 206 G C 0.540 175.412 174.900 -0.047 0.000 1.003 206 G CA 0.329 45.416 45.100 -0.020 0.000 0.622 206 G HN 1.217 nan 8.290 nan 0.000 0.507 207 T N 2.638 117.153 114.554 -0.066 0.000 2.867 207 T HA 0.461 4.809 4.350 -0.004 0.000 0.297 207 T C 0.698 175.313 174.700 -0.142 0.000 0.989 207 T CA 0.289 62.313 62.100 -0.126 0.000 1.159 207 T CB 0.680 69.430 68.868 -0.198 0.000 0.928 207 T HN 0.359 nan 8.240 nan 0.000 0.538 208 L N 4.789 125.925 121.223 -0.145 0.000 2.312 208 L HA 0.353 4.690 4.340 -0.004 0.000 0.281 208 L C 0.789 177.574 176.870 -0.141 0.000 1.070 208 L CA -0.767 54.016 54.840 -0.095 0.000 0.805 208 L CB 0.586 42.571 42.059 -0.124 0.000 1.174 208 L HN 0.579 nan 8.230 nan 0.000 0.434 209 H N 4.484 123.589 119.070 0.057 0.000 2.489 209 H HA 0.451 5.004 4.556 -0.005 0.000 0.322 209 H C -0.481 174.907 175.328 0.100 0.000 1.091 209 H CA -0.548 55.562 56.048 0.104 0.000 1.291 209 H CB 1.797 31.609 29.762 0.084 0.000 1.436 209 H HN 0.369 nan 8.280 nan 0.000 0.480 210 L N 1.770 123.118 121.223 0.209 0.000 2.344 210 L HA 0.663 5.000 4.340 -0.004 0.000 0.272 210 L C 0.259 177.213 176.870 0.140 0.000 1.035 210 L CA -0.887 54.041 54.840 0.147 0.000 0.807 210 L CB 1.542 43.673 42.059 0.120 0.000 1.237 210 L HN 0.564 nan 8.230 nan 0.000 0.442 211 A N 2.972 125.849 122.820 0.094 0.000 2.475 211 A HA 0.805 5.123 4.320 -0.004 0.000 0.301 211 A C -0.772 176.827 177.584 0.024 0.000 1.059 211 A CA -0.688 51.385 52.037 0.060 0.000 0.710 211 A CB 1.668 20.701 19.000 0.055 0.000 1.288 211 A HN 0.699 nan 8.150 nan 0.000 0.408 212 M N 1.815 121.403 119.600 -0.020 0.000 2.233 212 M HA 0.384 4.862 4.480 -0.004 0.000 0.355 212 M C -0.775 175.483 176.300 -0.068 0.000 1.191 212 M CA -0.632 54.635 55.300 -0.054 0.000 1.101 212 M CB 1.592 34.119 32.600 -0.121 0.000 1.592 212 M HN 0.352 nan 8.290 nan 0.000 0.461 213 V N 3.678 123.553 119.914 -0.065 0.000 2.364 213 V HA 0.275 4.393 4.120 -0.004 0.000 0.272 213 V C -0.208 175.809 176.094 -0.128 0.000 1.036 213 V CA -0.511 61.743 62.300 -0.075 0.000 0.880 213 V CB 0.810 32.607 31.823 -0.044 0.000 0.991 213 V HN 0.827 nan 8.190 nan 0.000 0.460 214 Q N 2.679 122.374 119.800 -0.174 0.000 2.345 214 Q HA 0.740 5.077 4.340 -0.004 0.000 0.268 214 Q C -0.097 175.736 176.000 -0.278 0.000 1.054 214 Q CA -0.817 54.825 55.803 -0.269 0.000 0.835 214 Q CB 2.467 31.000 28.738 -0.343 0.000 1.339 214 Q HN 0.861 nan 8.270 nan 0.000 0.447 215 A N 2.038 124.680 122.820 -0.298 0.000 2.540 215 A HA 0.038 4.356 4.320 -0.004 0.000 0.239 215 A C 0.255 177.527 177.584 -0.520 0.000 1.061 215 A CA 0.205 52.067 52.037 -0.291 0.000 0.758 215 A CB 0.193 19.072 19.000 -0.202 0.000 0.991 215 A HN 0.555 nan 8.150 nan 0.000 0.502 216 K N 1.329 121.507 120.400 -0.370 0.000 2.399 216 K HA 0.220 4.537 4.320 -0.004 0.000 0.204 216 K C 0.122 176.693 176.600 -0.049 0.000 1.023 216 K CA 0.423 56.483 56.287 -0.379 0.000 1.127 216 K CB -0.226 32.200 32.500 -0.123 0.000 0.856 216 K HN 0.734 nan 8.250 nan 0.000 0.514 217 V N -3.790 116.098 119.914 -0.044 0.000 3.126 217 V HA 0.463 4.580 4.120 -0.004 0.000 0.314 217 V C 0.955 177.134 176.094 0.141 0.000 1.138 217 V CA -0.779 61.586 62.300 0.108 0.000 1.034 217 V CB 2.028 33.874 31.823 0.038 0.000 1.075 217 V HN -0.122 nan 8.190 nan 0.000 0.442 218 S N -0.435 115.366 115.700 0.169 0.000 2.478 218 S HA 0.203 4.671 4.470 -0.004 0.000 0.222 218 S C 0.297 175.005 174.600 0.180 0.000 1.008 218 S CA 0.811 59.115 58.200 0.174 0.000 0.928 218 S CB -0.467 62.798 63.200 0.109 0.000 0.781 218 S HN 0.923 nan 8.310 nan 0.000 0.518 219 H N -0.751 118.318 119.070 -0.001 0.000 3.099 219 H HA 0.556 5.109 4.556 -0.004 0.000 0.342 219 H C -1.467 173.813 175.328 -0.080 0.000 1.054 219 H CA -0.399 55.623 56.048 -0.043 0.000 1.328 219 H CB 1.231 30.972 29.762 -0.034 0.000 1.876 219 H HN 0.233 nan 8.280 nan 0.000 0.495 220 A N 4.208 126.918 122.820 -0.184 0.000 2.608 220 A HA 0.334 4.651 4.320 -0.004 0.000 0.292 220 A C -1.486 175.935 177.584 -0.271 0.000 1.066 220 A CA -1.006 50.889 52.037 -0.237 0.000 0.676 220 A CB 1.759 20.678 19.000 -0.135 0.000 1.277 220 A HN 0.679 nan 8.150 nan 0.000 0.413 221 N N 0.879 119.447 118.700 -0.221 0.000 2.426 221 N HA 0.475 5.212 4.740 -0.004 0.000 0.275 221 N C -0.758 174.673 175.510 -0.132 0.000 1.019 221 N CA -0.039 52.906 53.050 -0.175 0.000 0.941 221 N CB 1.201 39.606 38.487 -0.136 0.000 1.123 221 N HN 0.582 nan 8.380 nan 0.000 0.486 222 I N 2.558 123.053 120.570 -0.126 0.000 2.395 222 I HA 0.111 4.278 4.170 -0.004 0.000 0.289 222 I C 1.468 177.546 176.117 -0.065 0.000 1.023 222 I CA -0.299 60.946 61.300 -0.091 0.000 1.350 222 I CB 0.924 38.868 38.000 -0.092 0.000 1.409 222 I HN 0.206 nan 8.210 nan 0.000 0.507 223 K N 3.815 124.188 120.400 -0.046 0.000 2.244 223 K HA 0.392 4.709 4.320 -0.004 0.000 0.200 223 K C 0.585 177.180 176.600 -0.009 0.000 1.052 223 K CA 0.196 56.466 56.287 -0.028 0.000 0.980 223 K CB 0.581 33.064 32.500 -0.028 0.000 0.838 223 K HN 0.848 nan 8.250 nan 0.000 0.481 224 G N 0.426 109.223 108.800 -0.004 0.000 2.489 224 G HA2 0.488 4.445 3.960 -0.004 0.000 0.291 224 G HA3 0.488 4.445 3.960 -0.004 0.000 0.291 224 G C -1.678 173.228 174.900 0.010 0.000 1.487 224 G CA -0.868 44.241 45.100 0.014 0.000 0.795 224 G HN -0.033 nan 8.290 nan 0.000 0.513 225 I N 0.739 121.322 120.570 0.021 0.000 2.433 225 I HA 0.383 4.551 4.170 -0.004 0.000 0.292 225 I C -1.194 174.925 176.117 0.003 0.000 1.001 225 I CA -0.641 60.665 61.300 0.011 0.000 1.119 225 I CB 2.331 40.346 38.000 0.024 0.000 1.289 225 I HN 0.398 nan 8.210 nan 0.000 0.438 226 D N 3.680 124.079 120.400 -0.002 0.000 2.441 226 D HA 0.207 4.844 4.640 -0.004 0.000 0.231 226 D C 0.794 177.091 176.300 -0.004 0.000 1.073 226 D CA -0.434 53.564 54.000 -0.004 0.000 0.850 226 D CB 1.224 42.021 40.800 -0.005 0.000 1.062 226 D HN 0.634 nan 8.370 nan 0.000 0.524 227 T N -0.215 114.337 114.554 -0.004 0.000 3.086 227 T HA 0.011 4.359 4.350 -0.004 0.000 0.250 227 T C 1.667 176.365 174.700 -0.003 0.000 1.074 227 T CA 0.512 62.610 62.100 -0.003 0.000 0.988 227 T CB -0.172 68.695 68.868 -0.003 0.000 0.988 227 T HN 0.219 nan 8.240 nan 0.000 0.530 228 S N 2.030 117.727 115.700 -0.005 0.000 2.353 228 S HA -0.215 4.252 4.470 -0.004 0.000 0.222 228 S C 1.941 176.539 174.600 -0.003 0.000 1.035 228 S CA 1.288 59.485 58.200 -0.005 0.000 1.025 228 S CB -0.717 62.479 63.200 -0.006 0.000 0.902 228 S HN 0.636 nan 8.310 nan 0.000 0.440 229 E N 1.565 121.764 120.200 -0.002 0.000 2.110 229 E HA -0.079 4.268 4.350 -0.004 0.000 0.193 229 E C 2.265 178.867 176.600 0.003 0.000 0.988 229 E CA 0.884 57.284 56.400 -0.000 0.000 0.804 229 E CB -0.415 29.285 29.700 0.000 0.000 0.745 229 E HN 0.668 nan 8.360 nan 0.000 0.458 230 A N 0.967 123.790 122.820 0.004 0.000 1.933 230 A HA -0.156 4.161 4.320 -0.004 0.000 0.218 230 A C 2.131 179.722 177.584 0.011 0.000 1.175 230 A CA 1.012 53.054 52.037 0.009 0.000 0.628 230 A CB -0.596 18.411 19.000 0.011 0.000 0.814 230 A HN 0.271 nan 8.150 nan 0.000 0.444 231 L N -0.003 121.223 121.223 0.005 0.000 2.275 231 L HA -0.113 4.225 4.340 -0.004 0.000 0.215 231 L C 2.671 179.540 176.870 -0.001 0.000 1.119 231 L CA 1.578 56.418 54.840 0.000 0.000 0.790 231 L CB -0.642 41.411 42.059 -0.010 0.000 0.919 231 L HN 0.667 nan 8.230 nan 0.000 0.443 232 T N -4.012 110.543 114.554 0.001 0.000 3.081 232 T HA 0.121 4.468 4.350 -0.004 0.000 0.255 232 T C 0.863 175.566 174.700 0.006 0.000 1.113 232 T CA -0.097 62.004 62.100 0.001 0.000 1.082 232 T CB 0.029 68.897 68.868 -0.000 0.000 0.939 232 T HN 0.018 nan 8.240 nan 0.000 0.506 233 M N 2.187 121.793 119.600 0.010 0.000 2.241 233 M HA 0.330 4.807 4.480 -0.004 0.000 0.335 233 M C -2.298 174.013 176.300 0.018 0.000 1.122 233 M CA -2.138 53.170 55.300 0.013 0.000 1.164 233 M CB 0.347 32.956 32.600 0.016 0.000 1.459 233 M HN -0.096 nan 8.290 nan 0.000 0.461 234 P HA 0.013 nan 4.420 nan 0.000 0.264 234 P C 0.605 177.922 177.300 0.028 0.000 1.183 234 P CA 0.865 63.977 63.100 0.019 0.000 0.763 234 P CB 0.329 32.038 31.700 0.015 0.000 0.807 235 G N 1.353 110.173 108.800 0.033 0.000 2.189 235 G HA2 -0.250 3.707 3.960 -0.004 0.000 0.267 235 G HA3 -0.250 3.707 3.960 -0.004 0.000 0.267 235 G C 0.176 175.120 174.900 0.072 0.000 0.975 235 G CA 0.050 45.179 45.100 0.049 0.000 0.644 235 G HN 0.544 nan 8.290 nan 0.000 0.537 236 V N 2.035 121.987 119.914 0.064 0.000 2.508 236 V HA 0.288 4.406 4.120 -0.004 0.000 0.281 236 V C 1.643 177.797 176.094 0.100 0.000 1.041 236 V CA 0.299 62.648 62.300 0.081 0.000 1.016 236 V CB 1.395 33.250 31.823 0.053 0.000 0.984 236 V HN 0.448 nan 8.190 nan 0.000 0.478 237 H N 3.769 122.858 119.070 0.032 0.000 2.344 237 H HA 0.124 4.679 4.556 -0.001 0.000 0.307 237 H C 0.752 176.093 175.328 0.022 0.000 1.057 237 H CA 1.190 57.255 56.048 0.028 0.000 1.373 237 H CB 1.130 30.913 29.762 0.035 0.000 1.421 237 H HN 0.764 nan 8.280 nan 0.000 0.532 238 S N -0.615 115.181 115.700 0.159 0.000 2.627 238 S HA 0.413 4.881 4.470 -0.004 0.000 0.268 238 S C -1.577 173.084 174.600 0.100 0.000 1.130 238 S CA -0.841 57.410 58.200 0.085 0.000 0.819 238 S CB 1.995 65.265 63.200 0.117 0.000 1.100 238 S HN -0.001 nan 8.310 nan 0.000 0.465 239 V N 1.390 121.337 119.914 0.055 0.000 2.487 239 V HA 0.556 4.674 4.120 -0.004 0.000 0.298 239 V C -0.656 175.458 176.094 0.034 0.000 1.028 239 V CA -0.549 61.778 62.300 0.044 0.000 0.860 239 V CB 1.291 33.128 31.823 0.023 0.000 0.991 239 V HN 0.836 nan 8.190 nan 0.000 0.427 240 I N 4.823 125.416 120.570 0.038 0.000 2.359 240 I HA 0.603 4.771 4.170 -0.004 0.000 0.294 240 I C 0.609 176.735 176.117 0.015 0.000 0.987 240 I CA 0.233 61.549 61.300 0.026 0.000 1.225 240 I CB 2.031 40.055 38.000 0.040 0.000 1.366 240 I HN 0.872 nan 8.210 nan 0.000 0.466 241 T N -0.174 114.373 114.554 -0.012 0.000 2.693 241 T HA 0.288 4.636 4.350 -0.004 0.000 0.278 241 T C 1.025 175.710 174.700 -0.024 0.000 0.994 241 T CA -0.402 61.693 62.100 -0.008 0.000 1.033 241 T CB 0.836 69.677 68.868 -0.045 0.000 1.342 241 T HN 0.739 nan 8.240 nan 0.000 0.538 242 H N 0.247 119.324 119.070 0.012 0.000 2.426 242 H HA 0.053 4.607 4.556 -0.003 0.000 0.298 242 H C 1.660 176.995 175.328 0.012 0.000 1.107 242 H CA 1.665 57.721 56.048 0.014 0.000 1.298 242 H CB -0.364 29.407 29.762 0.016 0.000 1.377 242 H HN 0.547 nan 8.280 nan 0.000 0.519 243 K N 0.256 120.318 120.400 -0.562 0.000 2.211 243 K HA -0.126 4.191 4.320 -0.004 0.000 0.204 243 K C 0.959 177.486 176.600 -0.122 0.000 1.047 243 K CA 1.426 57.515 56.287 -0.330 0.000 0.935 243 K CB 0.068 32.359 32.500 -0.349 0.000 0.728 243 K HN 0.596 nan 8.250 nan 0.000 0.452 244 D N 0.577 120.927 120.400 -0.083 0.000 2.349 244 D HA -0.012 4.625 4.640 -0.004 0.000 0.215 244 D C 0.006 176.303 176.300 -0.004 0.000 1.016 244 D CA 0.328 54.310 54.000 -0.029 0.000 0.870 244 D CB 0.426 41.219 40.800 -0.013 0.000 0.917 244 D HN -0.078 nan 8.370 nan 0.000 0.524 245 V N 1.627 121.545 119.914 0.007 0.000 2.508 245 V HA 0.016 4.134 4.120 -0.004 0.000 0.281 245 V C 1.218 177.322 176.094 0.017 0.000 1.041 245 V CA 0.031 62.345 62.300 0.023 0.000 1.016 245 V CB 1.623 33.474 31.823 0.046 0.000 0.984 245 V HN -0.188 nan 8.190 nan 0.000 0.478 246 K N 2.868 123.275 120.400 0.011 0.000 2.400 246 K HA 0.245 4.563 4.320 -0.004 0.000 0.194 246 K C 0.961 177.564 176.600 0.005 0.000 1.033 246 K CA 0.605 56.896 56.287 0.006 0.000 1.021 246 K CB 0.279 32.780 32.500 0.002 0.000 0.808 246 K HN 0.863 nan 8.250 nan 0.000 0.505 247 G N -0.584 108.222 108.800 0.010 0.000 3.122 247 G HA2 0.128 4.085 3.960 -0.004 0.000 0.180 247 G HA3 0.128 4.085 3.960 -0.004 0.000 0.180 247 G C -0.019 174.886 174.900 0.008 0.000 1.279 247 G CA -0.510 44.595 45.100 0.008 0.000 0.987 247 G HN -0.072 nan 8.290 nan 0.000 0.589 248 K N 0.049 120.452 120.400 0.005 0.000 2.442 248 K HA -0.071 4.247 4.320 -0.004 0.000 0.198 248 K C 0.848 177.465 176.600 0.029 0.000 1.044 248 K CA 0.821 57.097 56.287 -0.017 0.000 0.948 248 K CB -0.064 32.392 32.500 -0.073 0.000 0.762 248 K HN 0.440 nan 8.250 nan 0.000 0.472 249 N N 1.060 119.790 118.700 0.051 0.000 2.735 249 N HA -0.173 4.565 4.740 -0.004 0.000 0.248 249 N C -1.500 174.048 175.510 0.064 0.000 1.083 249 N CA 0.674 53.759 53.050 0.058 0.000 0.703 249 N CB -0.413 38.117 38.487 0.072 0.000 1.005 249 N HN 0.074 nan 8.380 nan 0.000 0.550 250 R N 0.122 120.685 120.500 0.105 0.000 2.604 250 R HA 0.470 4.807 4.340 -0.004 0.000 0.281 250 R C -0.191 176.180 176.300 0.119 0.000 1.020 250 R CA -0.677 55.508 56.100 0.142 0.000 0.899 250 R CB 0.983 31.468 30.300 0.308 0.000 1.205 250 R HN 0.216 nan 8.270 nan 0.000 0.450 251 I N 0.948 121.481 120.570 -0.062 0.000 2.396 251 I HA 0.176 4.343 4.170 -0.004 0.000 0.292 251 I C 0.876 176.795 176.117 -0.331 0.000 0.999 251 I CA -0.165 61.027 61.300 -0.181 0.000 1.310 251 I CB 1.792 39.636 38.000 -0.259 0.000 1.404 251 I HN 0.339 nan 8.210 nan 0.000 0.496 252 T N 3.851 118.075 114.554 -0.550 0.000 2.829 252 T HA 0.324 4.672 4.350 -0.004 0.000 0.282 252 T C 1.166 175.507 174.700 -0.599 0.000 0.990 252 T CA -0.399 61.139 62.100 -0.938 0.000 1.028 252 T CB 1.342 69.194 68.868 -1.694 0.000 0.951 252 T HN 0.798 nan 8.240 nan 0.000 0.460 253 G N 3.135 111.584 108.800 -0.584 0.000 2.559 253 G HA2 0.029 3.987 3.960 -0.004 0.000 0.216 253 G HA3 0.029 3.987 3.960 -0.004 0.000 0.216 253 G C 1.168 175.841 174.900 -0.377 0.000 1.126 253 G CA 0.819 45.598 45.100 -0.534 0.000 0.778 253 G HN 0.933 nan 8.290 nan 0.000 0.543 254 L N -1.160 119.864 121.223 -0.331 0.000 3.888 254 L HA -0.269 4.069 4.340 -0.004 0.000 0.362 254 L C 1.369 178.216 176.870 -0.038 0.000 0.963 254 L CA 2.573 57.320 54.840 -0.155 0.000 2.926 254 L CB -0.918 41.116 42.059 -0.041 0.000 0.851 254 L HN 0.506 nan 8.230 nan 0.000 0.728 255 I N -3.130 117.467 120.570 0.044 0.000 3.654 255 I HA 0.342 4.509 4.170 -0.004 0.000 0.337 255 I C 0.368 176.601 176.117 0.193 0.000 1.568 255 I CA -0.263 61.118 61.300 0.135 0.000 1.115 255 I CB 0.367 38.515 38.000 0.246 0.000 1.300 255 I HN 0.039 nan 8.210 nan 0.000 0.471 256 T N 2.232 116.822 114.554 0.060 0.000 2.866 256 T HA 0.092 4.440 4.350 -0.004 0.000 0.293 256 T C 0.098 174.941 174.700 0.239 0.000 1.005 256 T CA 0.561 62.699 62.100 0.064 0.000 1.162 256 T CB -0.060 68.774 68.868 -0.057 0.000 0.968 256 T HN 0.188 nan 8.240 nan 0.000 0.530 257 F N 3.855 123.759 119.950 -0.076 0.000 2.518 257 F HA 0.127 4.651 4.527 -0.004 0.000 0.359 257 F C -0.918 174.909 175.800 0.044 0.000 1.118 257 F CA -2.397 55.591 58.000 -0.019 0.000 1.287 257 F CB 0.579 39.557 39.000 -0.035 0.000 1.132 257 F HN 0.483 nan 8.300 nan 0.000 0.587 258 P HA -0.179 nan 4.420 nan 0.000 0.215 258 P C 1.320 178.732 177.300 0.187 0.000 1.153 258 P CA 1.800 64.984 63.100 0.139 0.000 0.853 258 P CB -0.179 31.562 31.700 0.068 0.000 0.788 259 T N -4.999 109.719 114.554 0.274 0.000 3.160 259 T HA -0.009 4.338 4.350 -0.004 0.000 0.257 259 T C 0.919 175.831 174.700 0.354 0.000 1.147 259 T CA -0.183 62.075 62.100 0.262 0.000 1.064 259 T CB -0.939 68.055 68.868 0.210 0.000 0.949 259 T HN -0.031 nan 8.240 nan 0.000 0.526 260 N N 2.086 121.048 118.700 0.436 0.000 2.454 260 N HA 0.037 4.774 4.740 -0.004 0.000 0.260 260 N C 0.694 176.342 175.510 0.231 0.000 1.218 260 N CA 0.194 53.475 53.050 0.385 0.000 0.904 260 N CB 0.842 39.447 38.487 0.196 0.000 1.065 260 N HN 0.393 nan 8.380 nan 0.000 0.462 261 K N 1.385 121.924 120.400 0.232 0.000 2.459 261 K HA 0.085 4.403 4.320 -0.004 0.000 0.193 261 K C 0.939 177.594 176.600 0.092 0.000 1.030 261 K CA 0.091 56.467 56.287 0.149 0.000 1.026 261 K CB 0.283 32.872 32.500 0.150 0.000 0.809 261 K HN 0.510 nan 8.250 nan 0.000 0.504 262 G N 1.399 110.221 108.800 0.037 0.000 2.417 262 G HA2 0.099 4.056 3.960 -0.004 0.000 0.334 262 G HA3 0.099 4.056 3.960 -0.004 0.000 0.334 262 G C -0.131 174.738 174.900 -0.051 0.000 1.150 262 G CA -0.555 44.499 45.100 -0.076 0.000 0.923 262 G HN 0.083 nan 8.290 nan 0.000 0.485 263 D N -0.996 119.394 120.400 -0.018 0.000 2.355 263 D HA 0.153 4.791 4.640 -0.004 0.000 0.218 263 D C 1.707 178.017 176.300 0.016 0.000 1.004 263 D CA 0.715 54.758 54.000 0.071 0.000 0.880 263 D CB -0.051 40.858 40.800 0.182 0.000 0.911 263 D HN 1.076 nan 8.370 nan 0.000 0.528 264 G N -0.493 108.224 108.800 -0.138 0.000 2.159 264 G HA2 -0.291 3.667 3.960 -0.004 0.000 0.256 264 G HA3 -0.291 3.667 3.960 -0.004 0.000 0.256 264 G C 0.165 174.839 174.900 -0.376 0.000 0.977 264 G CA 0.143 45.067 45.100 -0.293 0.000 0.652 264 G HN 0.347 nan 8.290 nan 0.000 0.531 265 W N 1.530 122.728 121.300 -0.170 0.000 3.194 265 W HA 0.321 4.978 4.660 -0.004 0.000 0.408 265 W C 1.625 178.037 176.519 -0.178 0.000 1.072 265 W CA 0.146 57.402 57.345 -0.148 0.000 1.953 265 W CB 0.316 29.720 29.460 -0.094 0.000 1.091 265 W HN 0.411 nan 8.180 nan 0.000 0.699 266 D N 0.409 120.736 120.400 -0.121 0.000 2.269 266 D HA -0.118 4.520 4.640 -0.004 0.000 0.208 266 D C 0.810 177.002 176.300 -0.179 0.000 0.963 266 D CA 0.447 54.297 54.000 -0.249 0.000 0.864 266 D CB -0.139 40.246 40.800 -0.691 0.000 0.936 266 D HN 0.192 nan 8.370 nan 0.000 0.505 267 R N 2.084 122.428 120.500 -0.260 0.000 2.234 267 R HA 0.231 4.568 4.340 -0.004 0.000 0.324 267 R C -2.511 173.597 176.300 -0.320 0.000 1.054 267 R CA -1.503 54.265 56.100 -0.553 0.000 0.912 267 R CB 1.118 30.907 30.300 -0.851 0.000 1.030 267 R HN -0.035 nan 8.270 nan 0.000 0.455 268 P HA 0.075 nan 4.420 nan 0.000 0.276 268 P C 0.277 177.507 177.300 -0.118 0.000 1.244 268 P CA -0.136 62.932 63.100 -0.053 0.000 0.801 268 P CB 1.044 32.800 31.700 0.093 0.000 1.006 269 I N 0.059 120.604 120.570 -0.041 0.000 2.270 269 I HA -0.009 4.158 4.170 -0.004 0.000 0.239 269 I C 0.886 177.016 176.117 0.021 0.000 1.080 269 I CA 1.063 62.343 61.300 -0.033 0.000 1.383 269 I CB -0.090 37.904 38.000 -0.009 0.000 1.097 269 I HN 0.135 nan 8.210 nan 0.000 0.420 270 L N 0.464 121.720 121.223 0.054 0.000 2.333 270 L HA 0.333 4.670 4.340 -0.004 0.000 0.280 270 L C -0.591 176.328 176.870 0.082 0.000 1.004 270 L CA -0.790 54.098 54.840 0.080 0.000 0.820 270 L CB 1.903 44.022 42.059 0.101 0.000 1.247 270 L HN 0.161 nan 8.230 nan 0.000 0.416 271 C N 2.092 121.433 119.300 0.068 0.000 2.538 271 C HA -0.024 4.434 4.460 -0.004 0.000 0.408 271 C C 1.254 176.216 174.990 -0.046 0.000 1.421 271 C CA 0.166 59.206 59.018 0.036 0.000 1.642 271 C CB -0.194 27.556 27.740 0.017 0.000 2.553 271 C HN 0.872 nan 8.230 nan 0.000 0.604 272 D N 0.684 120.997 120.400 -0.145 0.000 3.094 272 D HA 0.005 4.643 4.640 -0.004 0.000 0.267 272 D C 1.729 177.857 176.300 -0.287 0.000 1.542 272 D CA 0.503 54.238 54.000 -0.442 0.000 1.157 272 D CB 0.063 40.584 40.800 -0.465 0.000 1.098 272 D HN 0.635 nan 8.370 nan 0.000 0.340 273 E N 0.068 120.162 120.200 -0.177 0.000 2.190 273 E HA 0.111 4.458 4.350 -0.004 0.000 0.191 273 E C 0.306 176.805 176.600 -0.167 0.000 0.978 273 E CA 0.648 56.969 56.400 -0.133 0.000 0.839 273 E CB 0.978 30.638 29.700 -0.066 0.000 0.787 273 E HN 0.233 nan 8.360 nan 0.000 0.473 274 K N 0.580 120.834 120.400 -0.242 0.000 2.435 274 K HA 0.453 4.770 4.320 -0.004 0.000 0.251 274 K C -1.016 175.267 176.600 -0.527 0.000 0.954 274 K CA -0.652 55.353 56.287 -0.470 0.000 0.820 274 K CB 3.202 35.217 32.500 -0.807 0.000 1.292 274 K HN -0.220 nan 8.250 nan 0.000 0.436 275 V N 3.409 123.065 119.914 -0.430 0.000 2.407 275 V HA 0.256 4.373 4.120 -0.004 0.000 0.278 275 V C -0.049 175.888 176.094 -0.262 0.000 1.037 275 V CA -0.070 62.078 62.300 -0.252 0.000 0.900 275 V CB 0.745 32.503 31.823 -0.109 0.000 0.983 275 V HN 0.731 nan 8.190 nan 0.000 0.459 276 F N 2.063 122.105 119.950 0.154 0.000 2.694 276 F HA 0.239 4.764 4.527 -0.004 0.000 0.292 276 F C 1.068 176.875 175.800 0.012 0.000 1.121 276 F CA -0.287 57.751 58.000 0.062 0.000 1.352 276 F CB 0.684 39.691 39.000 0.013 0.000 1.107 276 F HN 0.569 nan 8.300 nan 0.000 0.597 277 Q N -1.471 118.480 119.800 0.251 0.000 2.435 277 Q HA 0.252 4.589 4.340 -0.004 0.000 0.282 277 Q C -1.300 174.851 176.000 0.252 0.000 1.020 277 Q CA -1.175 54.775 55.803 0.246 0.000 0.820 277 Q CB 1.247 30.165 28.738 0.299 0.000 1.436 277 Q HN 0.089 nan 8.270 nan 0.000 0.395 278 Y N 1.187 121.568 120.300 0.135 0.000 2.810 278 Y HA 0.258 4.806 4.550 -0.003 0.000 0.332 278 Y C 1.359 177.338 175.900 0.133 0.000 1.243 278 Y CA 2.555 60.720 58.100 0.108 0.000 1.537 278 Y CB 0.368 38.889 38.460 0.102 0.000 1.265 278 Y HN 1.004 nan 8.280 nan 0.000 0.572 279 G N 3.523 112.161 108.800 -0.269 0.000 2.213 279 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.226 279 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.226 279 G C -0.071 174.428 174.900 -0.667 0.000 0.992 279 G CA -0.109 44.816 45.100 -0.292 0.000 0.632 279 G HN 0.659 nan 8.290 nan 0.000 0.511 280 D N 0.588 120.806 120.400 -0.304 0.000 2.648 280 D HA 0.153 4.790 4.640 -0.004 0.000 0.229 280 D C 0.920 177.011 176.300 -0.348 0.000 1.119 280 D CA 0.468 54.348 54.000 -0.201 0.000 0.850 280 D CB 0.771 41.620 40.800 0.081 0.000 1.169 280 D HN 0.350 nan 8.370 nan 0.000 0.489 281 C N 4.505 123.638 119.300 -0.278 0.000 2.566 281 C HA 0.220 4.677 4.460 -0.004 0.000 0.393 281 C C 1.867 176.836 174.990 -0.035 0.000 1.309 281 C CA -0.468 58.465 59.018 -0.142 0.000 1.801 281 C CB -1.362 26.392 27.740 0.023 0.000 2.493 281 C HN 0.552 nan 8.230 nan 0.000 0.575 282 I N 4.256 124.796 120.570 -0.050 0.000 3.616 282 I HA 0.298 4.466 4.170 -0.004 0.000 0.296 282 I C 1.084 177.214 176.117 0.020 0.000 1.226 282 I CA 0.461 61.755 61.300 -0.009 0.000 1.394 282 I CB -0.007 37.972 38.000 -0.035 0.000 1.171 282 I HN 0.739 nan 8.210 nan 0.000 0.442 283 A N 0.652 123.473 122.820 0.002 0.000 2.612 283 A HA 0.791 5.108 4.320 -0.004 0.000 0.293 283 A C -1.621 175.972 177.584 0.014 0.000 1.075 283 A CA -0.401 51.645 52.037 0.016 0.000 0.680 283 A CB 1.309 20.315 19.000 0.011 0.000 1.279 283 A HN 0.037 nan 8.150 nan 0.000 0.411 284 L N 1.372 122.612 121.223 0.029 0.000 2.349 284 L HA 0.516 4.853 4.340 -0.004 0.000 0.278 284 L C -0.749 176.150 176.870 0.048 0.000 0.996 284 L CA -0.955 53.909 54.840 0.040 0.000 0.825 284 L CB 1.884 43.975 42.059 0.052 0.000 1.243 284 L HN 0.472 nan 8.230 nan 0.000 0.412 285 V N 1.966 121.909 119.914 0.050 0.000 2.461 285 V HA 0.201 4.319 4.120 -0.004 0.000 0.275 285 V C -0.048 176.096 176.094 0.083 0.000 1.047 285 V CA -0.419 61.919 62.300 0.062 0.000 0.955 285 V CB 1.228 33.083 31.823 0.053 0.000 0.988 285 V HN 0.813 nan 8.190 nan 0.000 0.471 286 C N 5.204 124.565 119.300 0.102 0.000 2.303 286 C HA 0.916 5.373 4.460 -0.004 0.000 0.326 286 C C 0.650 175.719 174.990 0.131 0.000 1.285 286 C CA -0.511 58.570 59.018 0.104 0.000 1.675 286 C CB -0.215 27.574 27.740 0.081 0.000 2.289 286 C HN 1.056 nan 8.230 nan 0.000 0.512 287 A N 2.637 125.532 122.820 0.126 0.000 2.552 287 A HA 0.718 5.035 4.320 -0.004 0.000 0.288 287 A C 0.735 178.406 177.584 0.145 0.000 1.193 287 A CA -0.232 51.883 52.037 0.130 0.000 0.713 287 A CB 0.768 19.830 19.000 0.103 0.000 1.305 287 A HN 0.735 nan 8.150 nan 0.000 0.424 288 D N -0.171 120.300 120.400 0.119 0.000 2.312 288 D HA 0.006 4.643 4.640 -0.004 0.000 0.211 288 D C 0.601 176.969 176.300 0.114 0.000 0.964 288 D CA 1.493 55.567 54.000 0.122 0.000 0.877 288 D CB -0.030 40.813 40.800 0.072 0.000 0.924 288 D HN 0.750 nan 8.370 nan 0.000 0.515 289 S N -1.909 113.810 115.700 0.031 0.000 2.579 289 S HA 0.275 4.742 4.470 -0.004 0.000 0.272 289 S C 0.641 175.187 174.600 -0.090 0.000 1.141 289 S CA -0.701 57.384 58.200 -0.192 0.000 0.843 289 S CB 2.352 65.456 63.200 -0.159 0.000 1.122 289 S HN -0.027 nan 8.310 nan 0.000 0.468 290 E N 1.234 121.322 120.200 -0.186 0.000 2.049 290 E HA -0.207 4.140 4.350 -0.004 0.000 0.198 290 E C 2.109 178.722 176.600 0.021 0.000 1.007 290 E CA 1.754 58.162 56.400 0.012 0.000 0.809 290 E CB -0.533 29.188 29.700 0.034 0.000 0.749 290 E HN 0.808 nan 8.360 nan 0.000 0.450 291 A N 1.165 123.977 122.820 -0.013 0.000 1.908 291 A HA -0.233 4.085 4.320 -0.004 0.000 0.218 291 A C 1.957 179.549 177.584 0.014 0.000 1.181 291 A CA 1.822 53.861 52.037 0.005 0.000 0.627 291 A CB -0.657 18.338 19.000 -0.007 0.000 0.818 291 A HN 0.288 nan 8.150 nan 0.000 0.445 292 N N 0.188 118.894 118.700 0.010 0.000 2.188 292 N HA -0.044 4.693 4.740 -0.004 0.000 0.184 292 N C 1.860 177.393 175.510 0.039 0.000 1.018 292 N CA 1.432 54.496 53.050 0.023 0.000 0.858 292 N CB -0.546 37.955 38.487 0.023 0.000 0.989 292 N HN 0.475 nan 8.380 nan 0.000 0.426 293 A N 1.538 124.390 122.820 0.054 0.000 1.873 293 A HA -0.083 4.234 4.320 -0.004 0.000 0.215 293 A C 2.248 179.863 177.584 0.052 0.000 1.186 293 A CA 1.043 53.120 52.037 0.068 0.000 0.616 293 A CB -0.386 18.674 19.000 0.101 0.000 0.823 293 A HN 0.197 nan 8.150 nan 0.000 0.442 294 R N -0.495 120.035 120.500 0.049 0.000 2.091 294 R HA -0.120 4.218 4.340 -0.004 0.000 0.238 294 R C 2.510 178.828 176.300 0.029 0.000 1.136 294 R CA 1.232 57.355 56.100 0.039 0.000 0.959 294 R CB -0.533 29.792 30.300 0.043 0.000 0.856 294 R HN 0.523 nan 8.270 nan 0.000 0.437 295 A N 1.355 124.192 122.820 0.028 0.000 1.865 295 A HA -0.180 4.137 4.320 -0.004 0.000 0.217 295 A C 2.386 179.982 177.584 0.020 0.000 1.191 295 A CA 1.956 54.007 52.037 0.022 0.000 0.623 295 A CB -0.751 18.261 19.000 0.020 0.000 0.826 295 A HN 0.423 nan 8.150 nan 0.000 0.444 296 A N -0.514 122.320 122.820 0.023 0.000 1.969 296 A HA 0.249 4.566 4.320 -0.004 0.000 0.218 296 A C 2.440 180.034 177.584 0.016 0.000 1.169 296 A CA 1.794 53.843 52.037 0.021 0.000 0.635 296 A CB -0.885 18.132 19.000 0.028 0.000 0.810 296 A HN 1.094 nan 8.150 nan 0.000 0.445 297 A N -0.259 122.572 122.820 0.018 0.000 1.972 297 A HA -0.135 4.183 4.320 -0.004 0.000 0.219 297 A C 1.811 179.394 177.584 -0.002 0.000 1.169 297 A CA 1.617 53.659 52.037 0.008 0.000 0.635 297 A CB -0.361 18.643 19.000 0.007 0.000 0.810 297 A HN 0.416 nan 8.150 nan 0.000 0.446 298 E N 0.169 120.371 120.200 0.003 0.000 2.265 298 E HA -0.117 4.230 4.350 -0.004 0.000 0.196 298 E C 1.266 177.865 176.600 -0.001 0.000 0.996 298 E CA 0.849 57.250 56.400 0.001 0.000 0.832 298 E CB -0.060 29.644 29.700 0.008 0.000 0.756 298 E HN 0.536 nan 8.360 nan 0.000 0.491 299 K N 0.163 120.563 120.400 0.001 0.000 2.353 299 K HA 0.145 4.463 4.320 -0.004 0.000 0.195 299 K C 0.480 177.079 176.600 -0.003 0.000 1.031 299 K CA -0.072 56.215 56.287 -0.000 0.000 1.079 299 K CB 0.789 33.291 32.500 0.003 0.000 0.857 299 K HN -0.073 nan 8.250 nan 0.000 0.535 300 V N 3.226 123.137 119.914 -0.004 0.000 2.540 300 V HA -0.023 4.094 4.120 -0.004 0.000 0.297 300 V C 0.520 176.606 176.094 -0.013 0.000 1.024 300 V CA 0.352 62.648 62.300 -0.007 0.000 1.105 300 V CB 0.171 31.990 31.823 -0.007 0.000 0.938 300 V HN 0.065 nan 8.190 nan 0.000 0.482 301 K N 4.032 124.425 120.400 -0.012 0.000 2.235 301 K HA 0.603 4.920 4.320 -0.004 0.000 0.266 301 K C -1.067 175.523 176.600 -0.017 0.000 0.980 301 K CA -0.574 55.704 56.287 -0.015 0.000 0.849 301 K CB 1.995 34.488 32.500 -0.012 0.000 1.098 301 K HN 0.482 nan 8.250 nan 0.000 0.445 302 V N 2.216 122.115 119.914 -0.025 0.000 2.398 302 V HA 0.119 4.236 4.120 -0.004 0.000 0.286 302 V C -0.426 175.650 176.094 -0.030 0.000 1.026 302 V CA -0.863 61.420 62.300 -0.028 0.000 0.868 302 V CB 1.558 33.355 31.823 -0.042 0.000 0.982 302 V HN 0.669 nan 8.190 nan 0.000 0.443 303 D N 4.629 125.013 120.400 -0.027 0.000 2.359 303 D HA 0.513 5.150 4.640 -0.004 0.000 0.230 303 D C -0.701 175.575 176.300 -0.039 0.000 1.118 303 D CA 0.052 54.035 54.000 -0.028 0.000 0.844 303 D CB 0.613 41.401 40.800 -0.021 0.000 1.059 303 D HN 0.427 nan 8.370 nan 0.000 0.493 304 L N 2.819 124.015 121.223 -0.045 0.000 2.346 304 L HA 0.438 4.775 4.340 -0.004 0.000 0.274 304 L C 0.271 177.105 176.870 -0.060 0.000 1.007 304 L CA -0.893 53.911 54.840 -0.060 0.000 0.818 304 L CB 2.100 44.120 42.059 -0.064 0.000 1.284 304 L HN 0.344 nan 8.230 nan 0.000 0.424 305 E N 3.341 123.495 120.200 -0.076 0.000 2.070 305 E HA 0.098 4.446 4.350 -0.004 0.000 0.261 305 E C -0.648 175.888 176.600 -0.106 0.000 0.926 305 E CA -0.441 55.911 56.400 -0.079 0.000 0.760 305 E CB 1.024 30.677 29.700 -0.078 0.000 1.133 305 E HN 0.574 nan 8.360 nan 0.000 0.420 306 E N 4.736 124.883 120.200 -0.088 0.000 2.366 306 E HA 0.104 4.451 4.350 -0.004 0.000 0.266 306 E C -0.851 175.674 176.600 -0.125 0.000 1.015 306 E CA -0.110 56.233 56.400 -0.096 0.000 0.906 306 E CB 0.552 30.218 29.700 -0.056 0.000 0.979 306 E HN 0.460 nan 8.360 nan 0.000 0.443 307 L N 5.493 126.598 121.223 -0.196 0.000 2.334 307 L HA 0.514 4.851 4.340 -0.004 0.000 0.270 307 L C -2.047 174.746 176.870 -0.127 0.000 1.018 307 L CA -2.685 52.015 54.840 -0.233 0.000 0.811 307 L CB 1.247 42.996 42.059 -0.517 0.000 1.271 307 L HN 0.556 nan 8.230 nan 0.000 0.443 308 P HA 0.136 nan 4.420 nan 0.000 0.268 308 P C -1.175 176.065 177.300 -0.099 0.000 1.204 308 P CA -0.108 62.922 63.100 -0.117 0.000 0.768 308 P CB 0.736 32.334 31.700 -0.170 0.000 0.842 309 A N 3.295 126.033 122.820 -0.137 0.000 2.330 309 A HA 0.541 4.858 4.320 -0.004 0.000 0.327 309 A C -1.206 176.221 177.584 -0.261 0.000 1.155 309 A CA -0.551 51.413 52.037 -0.122 0.000 0.803 309 A CB 0.403 19.404 19.000 0.002 0.000 1.208 309 A HN 0.481 nan 8.150 nan 0.000 0.477 310 Y N 2.556 122.884 120.300 0.047 0.000 2.404 310 Y HA 0.266 4.814 4.550 -0.004 0.000 0.344 310 Y C 0.895 176.843 175.900 0.079 0.000 0.970 310 Y CA -0.642 57.494 58.100 0.060 0.000 1.180 310 Y CB 1.242 39.737 38.460 0.058 0.000 1.138 310 Y HN 0.545 nan 8.280 nan 0.000 0.510 311 M N 2.093 121.825 119.600 0.220 0.000 2.419 311 M HA 0.172 4.650 4.480 -0.004 0.000 0.252 311 M C -0.088 176.409 176.300 0.328 0.000 1.143 311 M CA 0.046 55.481 55.300 0.224 0.000 0.985 311 M CB -0.853 31.816 32.600 0.115 0.000 1.489 311 M HN 0.588 nan 8.290 nan 0.000 0.484 312 S N -2.370 113.489 115.700 0.266 0.000 2.596 312 S HA 0.702 5.169 4.470 -0.004 0.000 0.270 312 S C 0.812 175.525 174.600 0.188 0.000 1.155 312 S CA -0.268 58.070 58.200 0.230 0.000 0.827 312 S CB 1.032 64.339 63.200 0.179 0.000 1.130 312 S HN 0.226 nan 8.310 nan 0.000 0.467 313 G N 1.268 110.172 108.800 0.174 0.000 2.514 313 G HA2 -0.051 3.906 3.960 -0.004 0.000 0.217 313 G HA3 -0.051 3.906 3.960 -0.004 0.000 0.217 313 G C -1.054 173.887 174.900 0.068 0.000 1.198 313 G CA 1.366 46.538 45.100 0.121 0.000 0.780 313 G HN 0.636 nan 8.290 nan 0.000 0.565 314 P HA -0.109 nan 4.420 nan 0.000 0.216 314 P C 2.189 179.504 177.300 0.025 0.000 1.153 314 P CA 2.186 65.310 63.100 0.040 0.000 0.858 314 P CB -0.193 31.537 31.700 0.049 0.000 0.789 315 A N -0.192 122.667 122.820 0.066 0.000 1.902 315 A HA -0.085 4.232 4.320 -0.004 0.000 0.217 315 A C 2.311 179.842 177.584 -0.088 0.000 1.181 315 A CA 2.110 54.201 52.037 0.090 0.000 0.623 315 A CB -1.560 17.579 19.000 0.232 0.000 0.818 315 A HN 0.209 nan 8.150 nan 0.000 0.443 316 A N -0.680 122.062 122.820 -0.130 0.000 2.066 316 A HA 0.365 4.683 4.320 -0.004 0.000 0.218 316 A C 2.218 179.636 177.584 -0.277 0.000 1.157 316 A CA 1.468 53.271 52.037 -0.390 0.000 0.670 316 A CB -0.582 18.350 19.000 -0.113 0.000 0.804 316 A HN 0.988 nan 8.150 nan 0.000 0.453 317 A N -0.461 122.274 122.820 -0.141 0.000 2.208 317 A HA 0.584 4.901 4.320 -0.004 0.000 0.209 317 A C 1.358 178.881 177.584 -0.101 0.000 1.161 317 A CA 0.629 52.602 52.037 -0.108 0.000 0.782 317 A CB -0.763 18.191 19.000 -0.077 0.000 0.816 317 A HN 0.894 nan 8.150 nan 0.000 0.477 318 A N 0.379 123.133 122.820 -0.111 0.000 2.520 318 A HA 0.304 4.621 4.320 -0.004 0.000 0.235 318 A C 1.129 178.670 177.584 -0.071 0.000 1.065 318 A CA 0.026 52.019 52.037 -0.073 0.000 0.764 318 A CB 0.294 19.264 19.000 -0.050 0.000 1.002 318 A HN 0.403 nan 8.150 nan 0.000 0.502 319 E N 1.555 121.731 120.200 -0.040 0.000 2.085 319 E HA -0.225 4.123 4.350 -0.004 0.000 0.194 319 E C 1.002 177.593 176.600 -0.015 0.000 0.994 319 E CA 1.913 58.296 56.400 -0.027 0.000 0.801 319 E CB -0.450 29.240 29.700 -0.017 0.000 0.743 319 E HN 0.951 nan 8.360 nan 0.000 0.453 320 D N 0.430 120.828 120.400 -0.004 0.000 2.336 320 D HA 0.155 4.792 4.640 -0.004 0.000 0.229 320 D C 0.267 176.591 176.300 0.040 0.000 1.061 320 D CA 0.255 54.270 54.000 0.024 0.000 0.875 320 D CB 0.033 40.856 40.800 0.038 0.000 0.904 320 D HN 0.079 nan 8.370 nan 0.000 0.525 321 A N 1.087 123.891 122.820 -0.026 0.000 2.450 321 A HA 0.327 4.645 4.320 -0.004 0.000 0.255 321 A C 0.362 177.970 177.584 0.040 0.000 1.096 321 A CA -0.566 51.416 52.037 -0.090 0.000 0.778 321 A CB 0.145 18.866 19.000 -0.466 0.000 1.031 321 A HN 0.207 nan 8.150 nan 0.000 0.494 322 I N 2.129 122.843 120.570 0.241 0.000 2.556 322 I HA 0.017 4.184 4.170 -0.004 0.000 0.284 322 I C 0.839 177.101 176.117 0.241 0.000 1.114 322 I CA 0.302 61.750 61.300 0.247 0.000 1.418 322 I CB -0.101 38.073 38.000 0.291 0.000 1.394 322 I HN 0.705 nan 8.210 nan 0.000 0.552 323 E N 5.807 126.113 120.200 0.176 0.000 2.415 323 E HA 0.008 4.356 4.350 -0.004 0.000 0.260 323 E C 0.997 177.736 176.600 0.231 0.000 1.016 323 E CA -0.007 56.500 56.400 0.177 0.000 0.924 323 E CB 0.885 30.677 29.700 0.153 0.000 0.961 323 E HN 0.455 nan 8.360 nan 0.000 0.459 324 I N 2.413 123.117 120.570 0.222 0.000 2.202 324 I HA -0.204 3.964 4.170 -0.004 0.000 0.242 324 I C 0.909 177.091 176.117 0.108 0.000 1.091 324 I CA 0.961 62.369 61.300 0.180 0.000 1.368 324 I CB -0.001 38.022 38.000 0.038 0.000 1.058 324 I HN 0.479 nan 8.210 nan 0.000 0.410 325 H N 1.456 120.668 119.070 0.236 0.000 2.685 325 H HA 0.292 4.845 4.556 -0.004 0.000 0.286 325 H C -2.264 173.160 175.328 0.159 0.000 1.102 325 H CA -2.261 53.904 56.048 0.194 0.000 1.254 325 H CB 0.201 29.994 29.762 0.051 0.000 1.397 325 H HN -0.026 nan 8.280 nan 0.000 0.473 326 P HA -0.011 nan 4.420 nan 0.000 0.265 326 P C 1.168 178.557 177.300 0.147 0.000 1.193 326 P CA 1.075 64.277 63.100 0.171 0.000 0.765 326 P CB 0.693 32.478 31.700 0.142 0.000 0.823 327 G N 1.787 110.658 108.800 0.118 0.000 2.241 327 G HA2 -0.189 3.768 3.960 -0.004 0.000 0.244 327 G HA3 -0.189 3.768 3.960 -0.004 0.000 0.244 327 G C 0.101 175.059 174.900 0.097 0.000 0.998 327 G CA 0.113 45.270 45.100 0.095 0.000 0.621 327 G HN 0.625 nan 8.290 nan 0.000 0.519 328 T N 3.917 118.545 114.554 0.125 0.000 2.792 328 T HA 0.623 4.970 4.350 -0.004 0.000 0.280 328 T C -2.599 172.189 174.700 0.148 0.000 0.990 328 T CA -0.953 61.221 62.100 0.123 0.000 0.960 328 T CB 3.066 71.994 68.868 0.100 0.000 0.939 328 T HN 0.178 nan 8.240 nan 0.000 0.439 329 P HA 0.202 nan 4.420 nan 0.000 0.271 329 P C 0.419 177.817 177.300 0.164 0.000 1.218 329 P CA -0.342 62.829 63.100 0.117 0.000 0.780 329 P CB 0.837 32.585 31.700 0.081 0.000 0.901 330 N N 0.588 119.359 118.700 0.119 0.000 2.104 330 N HA -0.074 4.663 4.740 -0.004 0.000 0.190 330 N C 0.356 175.929 175.510 0.105 0.000 1.024 330 N CA 1.013 54.144 53.050 0.136 0.000 0.853 330 N CB -0.759 37.739 38.487 0.017 0.000 1.008 330 N HN 0.238 nan 8.380 nan 0.000 0.424 331 V N 3.012 122.929 119.914 0.006 0.000 2.370 331 V HA -0.002 4.116 4.120 -0.004 0.000 0.257 331 V C 0.447 176.531 176.094 -0.017 0.000 1.064 331 V CA -0.119 62.124 62.300 -0.095 0.000 0.975 331 V CB -0.789 30.965 31.823 -0.114 0.000 1.067 331 V HN 0.354 nan 8.190 nan 0.000 0.485 332 Y N 2.962 123.284 120.300 0.038 0.000 2.467 332 Y HA 0.633 5.181 4.550 -0.004 0.000 0.250 332 Y C -0.014 175.971 175.900 0.141 0.000 1.155 332 Y CA -0.917 57.222 58.100 0.066 0.000 1.249 332 Y CB 0.326 38.820 38.460 0.056 0.000 1.146 332 Y HN 0.396 nan 8.280 nan 0.000 0.524 333 F N 1.374 121.217 119.950 -0.178 0.000 2.628 333 F HA 0.573 5.098 4.527 -0.004 0.000 0.309 333 F C -1.735 173.944 175.800 -0.201 0.000 1.108 333 F CA -1.303 56.624 58.000 -0.120 0.000 0.971 333 F CB 1.860 40.800 39.000 -0.101 0.000 1.279 333 F HN -0.038 nan 8.300 nan 0.000 0.441 334 E N 3.459 122.965 120.200 -1.157 0.000 2.278 334 E HA 0.269 4.617 4.350 -0.004 0.000 0.272 334 E C -1.845 174.089 176.600 -1.110 0.000 0.890 334 E CA -0.978 54.887 56.400 -0.892 0.000 0.770 334 E CB 2.365 31.763 29.700 -0.504 0.000 1.212 334 E HN 0.425 nan 8.360 nan 0.000 0.415 335 Q N 3.674 123.044 119.800 -0.718 0.000 2.363 335 Q HA 0.353 4.691 4.340 -0.004 0.000 0.265 335 Q C -2.768 173.110 176.000 -0.203 0.000 1.032 335 Q CA -2.212 53.403 55.803 -0.313 0.000 0.746 335 Q CB 1.465 30.266 28.738 0.105 0.000 1.237 335 Q HN 0.147 nan 8.270 nan 0.000 0.475 336 P HA 0.286 nan 4.420 nan 0.000 0.276 336 P C -1.085 176.261 177.300 0.075 0.000 1.244 336 P CA -0.545 62.521 63.100 -0.057 0.000 0.801 336 P CB 0.778 32.445 31.700 -0.056 0.000 1.006 337 I N 2.186 122.832 120.570 0.127 0.000 2.439 337 I HA 0.320 4.487 4.170 -0.004 0.000 0.285 337 I C -1.481 174.706 176.117 0.117 0.000 1.021 337 I CA -0.638 60.759 61.300 0.162 0.000 1.091 337 I CB 1.356 39.508 38.000 0.254 0.000 1.242 337 I HN -0.039 nan 8.210 nan 0.000 0.439 338 V N 7.873 127.840 119.914 0.088 0.000 2.340 338 V HA 0.479 4.596 4.120 -0.004 0.000 0.277 338 V C -0.252 175.883 176.094 0.069 0.000 1.017 338 V CA -0.682 61.661 62.300 0.070 0.000 0.820 338 V CB 1.018 32.869 31.823 0.047 0.000 1.028 338 V HN 0.679 nan 8.190 nan 0.000 0.436 339 K N 3.244 123.692 120.400 0.079 0.000 2.345 339 K HA 0.703 5.020 4.320 -0.004 0.000 0.255 339 K C 0.768 177.410 176.600 0.070 0.000 0.934 339 K CA 0.454 56.784 56.287 0.072 0.000 0.801 339 K CB 1.957 34.505 32.500 0.081 0.000 1.137 339 K HN 0.859 nan 8.250 nan 0.000 0.424 340 G N 2.813 111.647 108.800 0.055 0.000 2.582 340 G HA2 -0.260 3.697 3.960 -0.004 0.000 0.288 340 G HA3 -0.260 3.697 3.960 -0.004 0.000 0.288 340 G C -0.545 174.386 174.900 0.052 0.000 1.247 340 G CA -0.175 44.956 45.100 0.050 0.000 0.972 340 G HN 0.630 nan 8.290 nan 0.000 0.557 341 E N 1.248 121.480 120.200 0.054 0.000 2.349 341 E HA 0.351 4.699 4.350 -0.004 0.000 0.262 341 E C 0.092 176.734 176.600 0.070 0.000 1.088 341 E CA -0.420 56.012 56.400 0.053 0.000 0.899 341 E CB 0.466 30.194 29.700 0.046 0.000 1.044 341 E HN 0.483 nan 8.360 nan 0.000 0.420 342 D N 0.313 120.751 120.400 0.063 0.000 2.531 342 D HA -0.070 4.567 4.640 -0.004 0.000 0.239 342 D C 1.106 177.470 176.300 0.107 0.000 1.144 342 D CA 0.706 54.750 54.000 0.073 0.000 0.869 342 D CB 0.644 41.476 40.800 0.054 0.000 1.160 342 D HN 0.362 nan 8.370 nan 0.000 0.484 343 T N -0.378 114.261 114.554 0.142 0.000 3.014 343 T HA 0.033 4.381 4.350 -0.004 0.000 0.263 343 T C 2.050 176.927 174.700 0.295 0.000 1.078 343 T CA 0.343 62.599 62.100 0.260 0.000 1.135 343 T CB -0.236 68.825 68.868 0.322 0.000 0.895 343 T HN 0.379 nan 8.240 nan 0.000 0.480 344 G N 3.159 112.047 108.800 0.146 0.000 2.631 344 G HA2 -0.189 3.768 3.960 -0.004 0.000 0.219 344 G HA3 -0.189 3.768 3.960 -0.004 0.000 0.219 344 G C -0.456 174.532 174.900 0.148 0.000 1.214 344 G CA 1.111 46.276 45.100 0.108 0.000 0.785 344 G HN 0.485 nan 8.290 nan 0.000 0.596 345 P HA 0.051 nan 4.420 nan 0.000 0.221 345 P C 1.824 179.185 177.300 0.101 0.000 1.150 345 P CA 0.612 63.768 63.100 0.092 0.000 0.800 345 P CB -0.025 31.713 31.700 0.063 0.000 0.787 346 I N -2.528 118.116 120.570 0.125 0.000 2.353 346 I HA -0.179 3.988 4.170 -0.004 0.000 0.248 346 I C 1.952 178.093 176.117 0.039 0.000 1.119 346 I CA 1.158 62.498 61.300 0.068 0.000 1.417 346 I CB -0.476 37.553 38.000 0.048 0.000 1.078 346 I HN -0.153 nan 8.210 nan 0.000 0.421 347 F N 0.986 120.959 119.950 0.038 0.000 2.186 347 F HA -0.175 4.350 4.527 -0.004 0.000 0.299 347 F C 2.598 178.416 175.800 0.031 0.000 1.090 347 F CA 1.340 59.365 58.000 0.041 0.000 1.307 347 F CB -0.389 38.638 39.000 0.045 0.000 1.019 347 F HN -0.007 nan 8.300 nan 0.000 0.489 348 A N -0.702 122.236 122.820 0.197 0.000 1.969 348 A HA -0.175 4.142 4.320 -0.004 0.000 0.218 348 A C 2.138 179.762 177.584 0.066 0.000 1.169 348 A CA 1.922 54.028 52.037 0.114 0.000 0.635 348 A CB -0.906 18.146 19.000 0.088 0.000 0.810 348 A HN 0.364 nan 8.150 nan 0.000 0.445 349 S N -1.314 114.413 115.700 0.046 0.000 2.540 349 S HA 0.607 5.075 4.470 -0.004 0.000 0.218 349 S C 0.724 175.320 174.600 -0.006 0.000 0.977 349 S CA 0.322 58.533 58.200 0.019 0.000 0.918 349 S CB -0.342 62.867 63.200 0.016 0.000 0.806 349 S HN 0.774 nan 8.310 nan 0.000 0.496 350 A N 1.629 124.434 122.820 -0.025 0.000 2.322 350 A HA 0.449 4.766 4.320 -0.004 0.000 0.269 350 A C 0.814 178.378 177.584 -0.034 0.000 1.094 350 A CA -0.345 51.656 52.037 -0.060 0.000 0.807 350 A CB 0.224 19.139 19.000 -0.142 0.000 1.047 350 A HN 0.243 nan 8.150 nan 0.000 0.487 351 D N -0.096 120.281 120.400 -0.038 0.000 2.117 351 D HA -0.031 4.606 4.640 -0.004 0.000 0.197 351 D C 0.304 176.595 176.300 -0.014 0.000 0.987 351 D CA 1.736 55.723 54.000 -0.022 0.000 0.829 351 D CB -0.107 40.677 40.800 -0.027 0.000 0.961 351 D HN 0.226 nan 8.370 nan 0.000 0.460 352 V N 0.106 120.004 119.914 -0.027 0.000 2.686 352 V HA 0.404 4.522 4.120 -0.004 0.000 0.306 352 V C -0.100 175.990 176.094 -0.007 0.000 1.065 352 V CA -0.825 61.472 62.300 -0.005 0.000 0.894 352 V CB 2.172 33.993 31.823 -0.003 0.000 1.004 352 V HN 0.119 nan 8.190 nan 0.000 0.424 353 T N 1.189 115.772 114.554 0.049 0.000 2.887 353 T HA 0.892 5.239 4.350 -0.004 0.000 0.288 353 T C -0.631 174.160 174.700 0.152 0.000 1.021 353 T CA -0.704 61.466 62.100 0.117 0.000 1.000 353 T CB 1.850 70.857 68.868 0.232 0.000 1.034 353 T HN 1.039 nan 8.240 nan 0.000 0.467 354 V N -0.178 119.859 119.914 0.206 0.000 3.001 354 V HA 0.988 5.106 4.120 -0.004 0.000 0.314 354 V C -0.839 175.360 176.094 0.175 0.000 1.099 354 V CA -1.227 61.178 62.300 0.174 0.000 0.989 354 V CB 1.452 33.380 31.823 0.175 0.000 1.040 354 V HN 1.361 nan 8.190 nan 0.000 0.434 355 E N 1.270 121.535 120.200 0.109 0.000 2.392 355 E HA 0.841 5.189 4.350 -0.004 0.000 0.279 355 E C -0.677 175.928 176.600 0.008 0.000 0.964 355 E CA -0.676 55.762 56.400 0.063 0.000 0.777 355 E CB 2.155 31.876 29.700 0.035 0.000 1.249 355 E HN 1.383 nan 8.360 nan 0.000 0.449 356 G N 1.213 109.994 108.800 -0.031 0.000 2.718 356 G HA2 0.408 4.366 3.960 -0.004 0.000 0.295 356 G HA3 0.408 4.366 3.960 -0.004 0.000 0.295 356 G C -1.647 172.948 174.900 -0.509 0.000 1.421 356 G CA -0.751 44.135 45.100 -0.358 0.000 0.902 356 G HN 0.481 nan 8.290 nan 0.000 0.501 357 D N 0.606 120.597 120.400 -0.681 0.000 2.303 357 D HA 0.541 5.179 4.640 -0.004 0.000 0.236 357 D C -0.839 175.179 176.300 -0.471 0.000 1.068 357 D CA 0.322 54.088 54.000 -0.390 0.000 0.830 357 D CB 1.855 42.515 40.800 -0.233 0.000 1.109 357 D HN 0.128 nan 8.370 nan 0.000 0.496 358 F N 1.279 121.379 119.950 0.250 0.000 2.577 358 F HA 0.434 4.958 4.527 -0.004 0.000 0.318 358 F C -0.523 175.521 175.800 0.407 0.000 1.065 358 F CA -1.195 57.036 58.000 0.384 0.000 0.929 358 F CB 1.892 41.122 39.000 0.383 0.000 1.237 358 F HN 0.182 nan 8.300 nan 0.000 0.468 359 Y N 1.348 121.917 120.300 0.449 0.000 2.421 359 Y HA 0.741 5.289 4.550 -0.004 0.000 0.339 359 Y C -1.896 174.042 175.900 0.063 0.000 0.996 359 Y CA -0.954 57.291 58.100 0.241 0.000 1.046 359 Y CB 1.673 40.229 38.460 0.160 0.000 1.226 359 Y HN 0.395 nan 8.280 nan 0.000 0.445 360 V N 6.070 125.594 119.914 -0.650 0.000 2.540 360 V HA 0.748 4.865 4.120 -0.004 0.000 0.302 360 V C 0.331 175.811 176.094 -1.023 0.000 1.035 360 V CA -0.143 61.704 62.300 -0.756 0.000 0.873 360 V CB 1.367 32.838 31.823 -0.587 0.000 0.992 360 V HN 1.002 nan 8.190 nan 0.000 0.428 361 G N 2.686 111.055 108.800 -0.718 0.000 2.702 361 G HA2 0.407 4.364 3.960 -0.004 0.000 0.254 361 G HA3 0.407 4.364 3.960 -0.004 0.000 0.254 361 G C -0.112 174.657 174.900 -0.217 0.000 1.380 361 G CA -0.787 44.070 45.100 -0.405 0.000 1.042 361 G HN 0.575 nan 8.290 nan 0.000 0.557 362 R N 0.700 121.167 120.500 -0.055 0.000 4.138 362 R HA 0.121 4.458 4.340 -0.004 0.000 0.206 362 R C 0.462 176.763 176.300 0.002 0.000 1.667 362 R CA -0.097 55.997 56.100 -0.010 0.000 1.481 362 R CB -0.458 29.866 30.300 0.039 0.000 1.388 362 R HN 0.497 nan 8.270 nan 0.000 0.776 363 Q N 2.969 122.700 119.800 -0.115 0.000 2.263 363 Q HA 0.039 4.376 4.340 -0.004 0.000 0.289 363 Q C -2.098 173.962 176.000 0.100 0.000 1.061 363 Q CA -1.304 54.434 55.803 -0.108 0.000 0.927 363 Q CB 0.859 29.324 28.738 -0.454 0.000 1.154 363 Q HN 0.252 nan 8.270 nan 0.000 0.378 364 P HA 0.092 nan 4.420 nan 0.000 0.292 364 P C -0.330 177.037 177.300 0.112 0.000 1.287 364 P CA -0.149 63.013 63.100 0.102 0.000 0.800 364 P CB 0.835 32.623 31.700 0.148 0.000 0.945 365 H N 3.230 122.218 119.070 -0.137 0.000 2.387 365 H HA 0.021 4.575 4.556 -0.004 0.000 0.299 365 H C 0.838 176.124 175.328 -0.071 0.000 1.090 365 H CA 0.811 56.613 56.048 -0.411 0.000 1.332 365 H CB -0.149 29.360 29.762 -0.423 0.000 1.386 365 H HN 0.406 nan 8.280 nan 0.000 0.516 366 M N 0.799 120.496 119.600 0.161 0.000 2.303 366 M HA -0.124 4.353 4.480 -0.004 0.000 0.189 366 M C -2.486 174.043 176.300 0.382 0.000 0.688 366 M CA -0.265 55.231 55.300 0.326 0.000 0.479 366 M CB -1.161 31.713 32.600 0.456 0.000 1.094 366 M HN 0.114 nan 8.290 nan 0.000 0.907 367 P HA 0.138 nan 4.420 nan 0.000 0.274 367 P C 0.794 178.279 177.300 0.309 0.000 1.231 367 P CA -0.353 62.977 63.100 0.384 0.000 0.790 367 P CB 0.726 32.595 31.700 0.282 0.000 0.951 368 I N -0.154 120.557 120.570 0.235 0.000 2.394 368 I HA -0.079 4.088 4.170 -0.004 0.000 0.251 368 I C 1.326 177.484 176.117 0.067 0.000 1.136 368 I CA 1.293 62.702 61.300 0.182 0.000 1.425 368 I CB -1.174 36.995 38.000 0.282 0.000 1.079 368 I HN 0.498 nan 8.210 nan 0.000 0.425 369 E N 3.963 123.960 120.200 -0.338 0.000 2.130 369 E HA 0.203 4.551 4.350 -0.004 0.000 0.284 369 E C -2.321 174.145 176.600 -0.223 0.000 1.018 369 E CA -2.057 53.916 56.400 -0.711 0.000 0.817 369 E CB 1.523 30.354 29.700 -1.449 0.000 1.078 369 E HN 0.025 nan 8.360 nan 0.000 0.396 370 P HA 0.091 nan 4.420 nan 0.000 0.276 370 P C -0.516 176.720 177.300 -0.106 0.000 1.244 370 P CA -0.372 62.660 63.100 -0.114 0.000 0.801 370 P CB 0.655 32.360 31.700 0.009 0.000 1.006 371 D N -0.145 120.131 120.400 -0.206 0.000 2.506 371 D HA 0.170 4.808 4.640 -0.004 0.000 0.234 371 D C -0.746 175.416 176.300 -0.231 0.000 1.143 371 D CA 0.866 54.680 54.000 -0.310 0.000 0.871 371 D CB 0.228 40.564 40.800 -0.773 0.000 1.190 371 D HN 0.029 nan 8.370 nan 0.000 0.459 372 V N 1.784 121.613 119.914 -0.143 0.000 2.924 372 V HA 0.767 4.884 4.120 -0.004 0.000 0.300 372 V C -1.547 174.512 176.094 -0.059 0.000 1.227 372 V CA 0.027 62.307 62.300 -0.032 0.000 0.954 372 V CB 1.420 33.299 31.823 0.093 0.000 1.055 372 V HN 0.786 nan 8.190 nan 0.000 0.429 373 A N 5.386 128.151 122.820 -0.092 0.000 2.594 373 A HA 1.057 5.374 4.320 -0.004 0.000 0.291 373 A C -1.396 176.146 177.584 -0.071 0.000 1.105 373 A CA -0.385 51.594 52.037 -0.096 0.000 0.694 373 A CB 1.906 20.848 19.000 -0.098 0.000 1.291 373 A HN 1.976 nan 8.150 nan 0.000 0.410 374 F N -1.892 118.017 119.950 -0.069 0.000 2.626 374 F HA 0.950 5.474 4.527 -0.005 0.000 0.311 374 F C -0.274 175.593 175.800 0.112 0.000 1.088 374 F CA -0.679 57.323 58.000 0.004 0.000 0.949 374 F CB 1.476 40.541 39.000 0.109 0.000 1.322 374 F HN 1.148 nan 8.300 nan 0.000 0.461 375 A N 1.397 124.402 122.820 0.307 0.000 2.566 375 A HA 0.919 5.237 4.320 -0.004 0.000 0.292 375 A C -2.082 175.694 177.584 0.319 0.000 1.112 375 A CA -0.762 51.380 52.037 0.174 0.000 0.707 375 A CB 1.680 20.698 19.000 0.029 0.000 1.302 375 A HN 1.595 nan 8.150 nan 0.000 0.409 376 Y N -1.539 118.877 120.300 0.195 0.000 2.604 376 Y HA 0.706 5.253 4.550 -0.005 0.000 0.331 376 Y C -1.064 174.940 175.900 0.173 0.000 1.158 376 Y CA -1.751 56.439 58.100 0.150 0.000 1.056 376 Y CB 0.905 39.441 38.460 0.126 0.000 1.330 376 Y HN 0.415 nan 8.280 nan 0.000 0.457 377 M N 3.164 122.929 119.600 0.276 0.000 2.143 377 M HA 0.391 4.869 4.480 -0.004 0.000 0.348 377 M C 0.583 177.085 176.300 0.336 0.000 1.375 377 M CA -0.554 54.884 55.300 0.230 0.000 1.124 377 M CB 0.242 32.928 32.600 0.143 0.000 1.669 377 M HN 0.998 nan 8.290 nan 0.000 0.469 378 G N 2.358 111.390 108.800 0.386 0.000 2.634 378 G HA2 0.211 4.168 3.960 -0.004 0.000 0.255 378 G HA3 0.211 4.168 3.960 -0.004 0.000 0.255 378 G C 0.461 175.477 174.900 0.193 0.000 1.205 378 G CA -0.546 44.740 45.100 0.310 0.000 0.884 378 G HN 0.704 nan 8.290 nan 0.000 0.549 379 D N 0.244 120.717 120.400 0.123 0.000 2.178 379 D HA -0.132 4.505 4.640 -0.004 0.000 0.201 379 D C 1.813 178.172 176.300 0.098 0.000 0.980 379 D CA 1.519 55.571 54.000 0.087 0.000 0.842 379 D CB -0.137 40.695 40.800 0.052 0.000 0.948 379 D HN 0.597 nan 8.370 nan 0.000 0.472 380 D N -0.386 120.094 120.400 0.134 0.000 2.378 380 D HA 0.049 4.686 4.640 -0.004 0.000 0.227 380 D C 1.611 177.978 176.300 0.111 0.000 1.012 380 D CA 0.893 54.968 54.000 0.125 0.000 0.905 380 D CB -0.413 40.481 40.800 0.156 0.000 0.895 380 D HN 0.257 nan 8.370 nan 0.000 0.532 381 G N -0.256 108.617 108.800 0.120 0.000 2.179 381 G HA2 -0.333 3.625 3.960 -0.004 0.000 0.260 381 G HA3 -0.333 3.625 3.960 -0.004 0.000 0.260 381 G C 0.214 175.156 174.900 0.070 0.000 0.977 381 G CA 0.292 45.443 45.100 0.086 0.000 0.641 381 G HN 0.498 nan 8.290 nan 0.000 0.533 382 K N -0.297 120.160 120.400 0.095 0.000 2.154 382 K HA 0.498 4.816 4.320 -0.004 0.000 0.264 382 K C 0.285 176.878 176.600 -0.012 0.000 1.008 382 K CA -0.186 56.084 56.287 -0.030 0.000 0.937 382 K CB 1.526 33.913 32.500 -0.188 0.000 1.002 382 K HN 0.241 nan 8.250 nan 0.000 0.469 383 C N 3.403 122.617 119.300 -0.144 0.000 2.325 383 C HA 0.377 4.834 4.460 -0.004 0.000 0.347 383 C C -0.876 173.924 174.990 -0.315 0.000 1.263 383 C CA -0.582 58.358 59.018 -0.131 0.000 1.806 383 C CB -1.279 26.395 27.740 -0.110 0.000 2.405 383 C HN 0.574 nan 8.230 nan 0.000 0.537 384 Y N 5.588 125.636 120.300 -0.420 0.000 2.341 384 Y HA 0.657 5.204 4.550 -0.005 0.000 0.337 384 Y C 0.469 176.089 175.900 -0.467 0.000 1.014 384 Y CA -0.547 57.234 58.100 -0.531 0.000 1.111 384 Y CB 0.929 38.876 38.460 -0.856 0.000 1.194 384 Y HN 0.501 nan 8.280 nan 0.000 0.462 385 I N 3.936 124.354 120.570 -0.253 0.000 2.406 385 I HA 0.309 4.477 4.170 -0.004 0.000 0.290 385 I C -0.673 175.224 176.117 -0.367 0.000 0.999 385 I CA -0.611 60.549 61.300 -0.233 0.000 1.124 385 I CB 1.249 39.126 38.000 -0.206 0.000 1.289 385 I HN 0.550 nan 8.210 nan 0.000 0.441 386 H N 4.926 123.682 119.070 -0.524 0.000 2.587 386 H HA 0.555 5.108 4.556 -0.004 0.000 0.325 386 H C -0.449 174.552 175.328 -0.544 0.000 1.012 386 H CA -0.403 55.275 56.048 -0.617 0.000 1.213 386 H CB 1.899 31.016 29.762 -1.075 0.000 1.431 386 H HN 0.749 nan 8.280 nan 0.000 0.492 387 S N 2.044 117.610 115.700 -0.222 0.000 2.880 387 S HA 0.303 4.771 4.470 -0.004 0.000 0.308 387 S C 0.175 174.711 174.600 -0.108 0.000 1.195 387 S CA -1.046 57.060 58.200 -0.156 0.000 0.866 387 S CB 1.954 65.062 63.200 -0.154 0.000 1.254 387 S HN 0.502 nan 8.310 nan 0.000 0.571 388 K N 1.117 121.444 120.400 -0.121 0.000 2.469 388 K HA 0.259 4.576 4.320 -0.004 0.000 0.201 388 K C 0.366 176.851 176.600 -0.193 0.000 1.028 388 K CA 0.018 56.218 56.287 -0.146 0.000 1.170 388 K CB 0.280 32.672 32.500 -0.180 0.000 0.874 388 K HN 0.502 nan 8.250 nan 0.000 0.507 389 S N 1.547 117.170 115.700 -0.128 0.000 2.544 389 S HA -0.013 4.454 4.470 -0.004 0.000 0.290 389 S C 0.851 175.338 174.600 -0.188 0.000 1.276 389 S CA -0.477 57.686 58.200 -0.063 0.000 1.075 389 S CB 0.167 63.403 63.200 0.060 0.000 0.849 389 S HN 0.336 nan 8.310 nan 0.000 0.494 390 I N 2.818 123.225 120.570 -0.272 0.000 3.904 390 I HA 0.549 4.717 4.170 -0.004 0.000 0.333 390 I C 0.820 176.748 176.117 -0.315 0.000 1.361 390 I CA -0.220 60.875 61.300 -0.341 0.000 1.116 390 I CB 0.395 38.035 38.000 -0.599 0.000 1.028 390 I HN 0.560 nan 8.210 nan 0.000 0.398 391 G N 0.642 109.151 108.800 -0.486 0.000 3.317 391 G HA2 0.418 4.376 3.960 -0.004 0.000 0.308 391 G HA3 0.418 4.376 3.960 -0.004 0.000 0.308 391 G C 0.467 175.047 174.900 -0.534 0.000 1.535 391 G CA 0.092 44.875 45.100 -0.529 0.000 0.788 391 G HN 0.146 nan 8.290 nan 0.000 0.478 392 V N -1.411 118.339 119.914 -0.273 0.000 2.358 392 V HA -0.156 3.962 4.120 -0.004 0.000 0.246 392 V C 2.051 178.015 176.094 -0.216 0.000 1.047 392 V CA 1.808 63.966 62.300 -0.236 0.000 1.035 392 V CB -0.896 30.786 31.823 -0.235 0.000 0.658 392 V HN 0.573 nan 8.190 nan 0.000 0.452 393 H N -0.109 118.906 119.070 -0.092 0.000 2.357 393 H HA -0.047 4.506 4.556 -0.004 0.000 0.301 393 H C 2.320 177.702 175.328 0.089 0.000 1.082 393 H CA 2.164 58.224 56.048 0.021 0.000 1.342 393 H CB 0.023 29.805 29.762 0.032 0.000 1.389 393 H HN 0.467 nan 8.280 nan 0.000 0.511 394 L N 0.805 122.061 121.223 0.055 0.000 1.989 394 L HA -0.194 4.143 4.340 -0.004 0.000 0.211 394 L C 2.242 179.168 176.870 0.093 0.000 1.071 394 L CA 1.811 56.654 54.840 0.005 0.000 0.749 394 L CB -0.729 41.185 42.059 -0.243 0.000 0.890 394 L HN 0.255 nan 8.230 nan 0.000 0.431 395 H N -1.615 117.424 119.070 -0.052 0.000 2.389 395 H HA -0.155 4.399 4.556 -0.004 0.000 0.299 395 H C 2.091 177.366 175.328 -0.088 0.000 1.081 395 H CA 0.917 56.918 56.048 -0.079 0.000 1.345 395 H CB 0.001 29.687 29.762 -0.127 0.000 1.393 395 H HN 0.363 nan 8.280 nan 0.000 0.520 396 L N 0.596 121.820 121.223 0.002 0.000 2.021 396 L HA -0.279 4.059 4.340 -0.004 0.000 0.215 396 L C 1.607 178.351 176.870 -0.210 0.000 1.074 396 L CA 1.764 56.503 54.840 -0.169 0.000 0.760 396 L CB -0.677 41.208 42.059 -0.291 0.000 0.889 396 L HN 0.223 nan 8.230 nan 0.000 0.433 397 Y N -1.564 118.730 120.300 -0.010 0.000 2.475 397 Y HA -0.022 4.526 4.550 -0.004 0.000 0.289 397 Y C 2.380 178.258 175.900 -0.037 0.000 1.121 397 Y CA 0.938 59.033 58.100 -0.009 0.000 1.257 397 Y CB -0.275 38.187 38.460 0.004 0.000 1.026 397 Y HN 0.177 nan 8.280 nan 0.000 0.555 398 M N -0.435 119.216 119.600 0.085 0.000 2.254 398 M HA -0.093 4.385 4.480 -0.004 0.000 0.265 398 M C 1.945 178.199 176.300 -0.076 0.000 1.066 398 M CA 1.675 56.956 55.300 -0.032 0.000 1.123 398 M CB -0.162 32.439 32.600 0.000 0.000 1.388 398 M HN 0.428 nan 8.290 nan 0.000 0.425 399 I N -3.717 116.820 120.570 -0.055 0.000 3.526 399 I HA 0.273 4.441 4.170 -0.004 0.000 0.294 399 I C 2.339 178.432 176.117 -0.040 0.000 1.229 399 I CA 0.501 61.763 61.300 -0.063 0.000 1.408 399 I CB -0.453 37.493 38.000 -0.089 0.000 1.127 399 I HN -0.007 nan 8.210 nan 0.000 0.439 400 A N 2.819 125.601 122.820 -0.064 0.000 1.869 400 A HA -0.113 4.205 4.320 -0.004 0.000 0.218 400 A C 0.206 177.794 177.584 0.007 0.000 1.203 400 A CA 2.451 54.447 52.037 -0.068 0.000 0.638 400 A CB -2.221 16.693 19.000 -0.144 0.000 0.831 400 A HN 0.428 nan 8.150 nan 0.000 0.450 401 P HA -0.031 nan 4.420 nan 0.000 0.220 401 P C 1.631 179.006 177.300 0.126 0.000 1.148 401 P CA 1.522 64.704 63.100 0.137 0.000 0.803 401 P CB -0.361 31.526 31.700 0.312 0.000 0.782 402 G N 0.350 109.234 108.800 0.140 0.000 2.404 402 G HA2 -0.191 3.767 3.960 -0.004 0.000 0.215 402 G HA3 -0.191 3.767 3.960 -0.004 0.000 0.215 402 G C 1.503 176.429 174.900 0.043 0.000 1.174 402 G CA 1.136 46.299 45.100 0.104 0.000 0.780 402 G HN 0.344 nan 8.290 nan 0.000 0.537 403 V N -2.093 117.830 119.914 0.015 0.000 3.306 403 V HA 0.486 4.603 4.120 -0.004 0.000 0.264 403 V C 1.626 177.717 176.094 -0.004 0.000 1.149 403 V CA 0.842 63.140 62.300 -0.002 0.000 1.143 403 V CB -0.567 31.241 31.823 -0.026 0.000 0.767 403 V HN 1.313 nan 8.190 nan 0.000 0.476 404 G N 0.419 109.219 108.800 0.000 0.000 2.203 404 G HA2 -0.170 3.787 3.960 -0.004 0.000 0.231 404 G HA3 -0.170 3.787 3.960 -0.004 0.000 0.231 404 G C -0.427 174.464 174.900 -0.015 0.000 1.058 404 G CA 0.254 45.352 45.100 -0.003 0.000 0.781 404 G HN 0.598 nan 8.290 nan 0.000 0.496 405 L N -0.149 121.058 121.223 -0.028 0.000 2.354 405 L HA 0.582 4.919 4.340 -0.004 0.000 0.269 405 L C 0.210 177.049 176.870 -0.051 0.000 1.005 405 L CA -1.299 53.513 54.840 -0.046 0.000 0.819 405 L CB 1.561 43.576 42.059 -0.073 0.000 1.311 405 L HN -0.007 nan 8.230 nan 0.000 0.423 406 E N 2.166 122.337 120.200 -0.048 0.000 2.383 406 E HA 0.103 4.450 4.350 -0.004 0.000 0.264 406 E C -1.709 174.832 176.600 -0.099 0.000 1.050 406 E CA -1.685 54.686 56.400 -0.048 0.000 0.896 406 E CB 0.834 30.519 29.700 -0.025 0.000 0.982 406 E HN 0.296 nan 8.360 nan 0.000 0.424 407 P HA -0.215 nan 4.420 nan 0.000 0.217 407 P C 0.847 178.045 177.300 -0.170 0.000 1.151 407 P CA 1.545 64.501 63.100 -0.241 0.000 0.849 407 P CB 0.153 31.729 31.700 -0.207 0.000 0.787 408 D N -1.424 118.922 120.400 -0.089 0.000 2.348 408 D HA -0.151 4.486 4.640 -0.004 0.000 0.216 408 D C 1.351 177.590 176.300 -0.102 0.000 0.970 408 D CA 0.947 54.905 54.000 -0.070 0.000 0.889 408 D CB -0.593 40.193 40.800 -0.024 0.000 0.912 408 D HN 0.170 nan 8.370 nan 0.000 0.524 409 Q N -0.001 119.729 119.800 -0.117 0.000 2.282 409 Q HA 0.222 4.560 4.340 -0.004 0.000 0.206 409 Q C -0.036 175.851 176.000 -0.189 0.000 0.878 409 Q CA 0.025 55.754 55.803 -0.123 0.000 0.944 409 Q CB 0.768 29.459 28.738 -0.078 0.000 1.100 409 Q HN 0.416 nan 8.270 nan 0.000 0.509 410 L N -2.479 118.600 121.223 -0.240 0.000 2.401 410 L HA 0.747 5.084 4.340 -0.004 0.000 0.266 410 L C -0.455 176.184 176.870 -0.385 0.000 0.991 410 L CA -1.257 53.399 54.840 -0.306 0.000 0.818 410 L CB 1.558 43.470 42.059 -0.245 0.000 1.321 410 L HN -0.379 nan 8.230 nan 0.000 0.413 411 V N 3.482 123.087 119.914 -0.515 0.000 2.531 411 V HA 0.582 4.699 4.120 -0.004 0.000 0.301 411 V C -0.544 175.308 176.094 -0.403 0.000 1.034 411 V CA -0.345 61.648 62.300 -0.512 0.000 0.865 411 V CB 1.747 33.083 31.823 -0.812 0.000 0.995 411 V HN 0.638 nan 8.190 nan 0.000 0.424 412 L N 5.411 126.432 121.223 -0.337 0.000 2.322 412 L HA 0.735 5.072 4.340 -0.004 0.000 0.281 412 L C -0.363 176.322 176.870 -0.308 0.000 1.014 412 L CA -0.136 54.517 54.840 -0.311 0.000 0.815 412 L CB 2.012 43.921 42.059 -0.251 0.000 1.247 412 L HN 0.437 nan 8.230 nan 0.000 0.421 413 V N 2.264 121.953 119.914 -0.375 0.000 2.709 413 V HA 0.744 4.861 4.120 -0.004 0.000 0.308 413 V C -0.155 175.812 176.094 -0.211 0.000 1.062 413 V CA -0.967 61.139 62.300 -0.324 0.000 0.901 413 V CB 1.894 33.361 31.823 -0.594 0.000 1.003 413 V HN 0.804 nan 8.190 nan 0.000 0.425 414 A N 4.000 126.785 122.820 -0.059 0.000 2.309 414 A HA 0.556 4.873 4.320 -0.004 0.000 0.290 414 A C 0.214 177.823 177.584 0.042 0.000 1.206 414 A CA -0.424 51.611 52.037 -0.002 0.000 0.850 414 A CB -0.128 18.905 19.000 0.056 0.000 1.118 414 A HN 0.796 nan 8.150 nan 0.000 0.523 415 N N 2.185 120.879 118.700 -0.010 0.000 2.444 415 N HA 0.271 5.009 4.740 -0.004 0.000 0.255 415 N C -2.644 172.832 175.510 -0.057 0.000 1.255 415 N CA -1.235 51.786 53.050 -0.049 0.000 0.933 415 N CB -0.040 38.470 38.487 0.038 0.000 1.143 415 N HN 0.338 nan 8.380 nan 0.000 0.453 416 P HA 0.028 nan 4.420 nan 0.000 0.264 416 P C -0.419 176.967 177.300 0.144 0.000 1.183 416 P CA 0.553 63.582 63.100 -0.118 0.000 0.763 416 P CB 0.319 31.724 31.700 -0.492 0.000 0.807 417 M N 0.367 120.148 119.600 0.303 0.000 2.501 417 M HA 0.642 5.120 4.480 -0.004 0.000 0.293 417 M C 0.127 176.624 176.300 0.328 0.000 1.192 417 M CA -0.763 54.729 55.300 0.320 0.000 0.886 417 M CB 2.344 34.994 32.600 0.083 0.000 1.710 417 M HN 0.272 nan 8.290 nan 0.000 0.457 418 G N 1.309 110.139 108.800 0.050 0.000 3.717 418 G HA2 0.545 4.502 3.960 -0.004 0.000 0.258 418 G HA3 0.545 4.502 3.960 -0.004 0.000 0.258 418 G C 0.461 175.338 174.900 -0.039 0.000 1.088 418 G CA 0.047 45.086 45.100 -0.102 0.000 1.737 418 G HN 1.403 nan 8.290 nan 0.000 0.648 419 G N -0.147 108.635 108.800 -0.030 0.000 2.722 419 G HA2 0.146 4.104 3.960 -0.004 0.000 0.686 419 G HA3 0.146 4.104 3.960 -0.004 0.000 0.686 419 G C 0.456 175.259 174.900 -0.163 0.000 1.282 419 G CA 0.314 45.276 45.100 -0.229 0.000 0.817 419 G HN 1.441 nan 8.290 nan 0.000 0.605 420 T N -1.808 112.531 114.554 -0.357 0.000 3.168 420 T HA 0.370 4.718 4.350 -0.004 0.000 0.261 420 T C 1.375 176.118 174.700 0.071 0.000 0.931 420 T CA 1.150 63.217 62.100 -0.054 0.000 0.949 420 T CB 0.008 68.675 68.868 -0.335 0.000 1.229 420 T HN 1.958 nan 8.240 nan 0.000 0.504 421 F N 2.097 122.107 119.950 0.100 0.000 3.084 421 F HA -0.050 4.475 4.527 -0.004 0.000 0.286 421 F C 1.585 177.392 175.800 0.012 0.000 0.855 421 F CA 1.055 59.042 58.000 -0.022 0.000 1.091 421 F CB -2.021 36.923 39.000 -0.093 0.000 1.177 421 F HN 0.845 nan 8.300 nan 0.000 0.542 422 G N -1.192 107.673 108.800 0.109 0.000 2.316 422 G HA2 -0.385 3.572 3.960 -0.004 0.000 0.203 422 G HA3 -0.385 3.572 3.960 -0.004 0.000 0.203 422 G C 0.562 175.448 174.900 -0.023 0.000 0.999 422 G CA 0.096 45.262 45.100 0.110 0.000 0.649 422 G HN 0.904 nan 8.290 nan 0.000 0.489 423 Y N 1.580 121.579 120.300 -0.501 0.000 2.497 423 Y HA 0.368 4.916 4.550 -0.004 0.000 0.292 423 Y C 1.846 177.611 175.900 -0.225 0.000 1.137 423 Y CA 1.524 59.230 58.100 -0.657 0.000 1.285 423 Y CB 0.125 37.841 38.460 -1.240 0.000 0.991 423 Y HN 0.103 nan 8.280 nan 0.000 0.556 424 K N 0.223 120.198 120.400 -0.709 0.000 2.437 424 K HA 0.054 4.371 4.320 -0.004 0.000 0.198 424 K C 0.886 177.466 176.600 -0.033 0.000 1.024 424 K CA -0.083 55.913 56.287 -0.484 0.000 1.148 424 K CB -0.676 31.440 32.500 -0.640 0.000 0.860 424 K HN 0.440 nan 8.250 nan 0.000 0.515 425 F N 1.132 121.041 119.950 -0.068 0.000 2.407 425 F HA -0.007 4.518 4.527 -0.004 0.000 0.299 425 F C 0.525 176.528 175.800 0.338 0.000 1.097 425 F CA 0.487 58.510 58.000 0.038 0.000 1.422 425 F CB 0.463 39.400 39.000 -0.105 0.000 1.067 425 F HN -0.256 nan 8.300 nan 0.000 0.539 426 S N 1.007 116.916 115.700 0.349 0.000 2.541 426 S HA 0.334 4.802 4.470 -0.004 0.000 0.283 426 S C -2.431 172.087 174.600 -0.136 0.000 1.196 426 S CA -1.279 57.096 58.200 0.292 0.000 1.062 426 S CB 1.257 64.742 63.200 0.475 0.000 1.009 426 S HN -0.176 nan 8.310 nan 0.000 0.502 427 P HA 0.125 nan 4.420 nan 0.000 0.268 427 P C 0.473 177.704 177.300 -0.115 0.000 1.204 427 P CA 0.014 62.832 63.100 -0.471 0.000 0.768 427 P CB 0.640 32.099 31.700 -0.402 0.000 0.842 428 T N -1.558 112.937 114.554 -0.098 0.000 3.311 428 T HA 0.023 4.371 4.350 -0.004 0.000 0.239 428 T C 1.261 175.972 174.700 0.019 0.000 0.976 428 T CA 0.734 62.849 62.100 0.024 0.000 1.283 428 T CB -0.524 68.367 68.868 0.038 0.000 1.113 428 T HN 0.323 nan 8.240 nan 0.000 0.392 429 S N 0.557 116.252 115.700 -0.008 0.000 2.559 429 S HA 0.310 4.778 4.470 -0.004 0.000 0.226 429 S C 1.353 175.954 174.600 0.002 0.000 1.000 429 S CA -0.226 58.021 58.200 0.078 0.000 0.948 429 S CB 0.213 63.492 63.200 0.131 0.000 0.870 429 S HN 0.341 nan 8.310 nan 0.000 0.497 430 E N 3.053 123.209 120.200 -0.073 0.000 2.038 430 E HA 0.014 4.362 4.350 -0.004 0.000 0.195 430 E C 2.241 178.798 176.600 -0.071 0.000 1.000 430 E CA 1.612 57.955 56.400 -0.095 0.000 0.803 430 E CB -0.576 29.040 29.700 -0.141 0.000 0.750 430 E HN 0.655 nan 8.360 nan 0.000 0.448 431 A N 0.326 123.104 122.820 -0.071 0.000 1.969 431 A HA -0.102 4.216 4.320 -0.004 0.000 0.218 431 A C 2.160 179.735 177.584 -0.014 0.000 1.169 431 A CA 0.935 52.941 52.037 -0.051 0.000 0.635 431 A CB -0.563 18.399 19.000 -0.063 0.000 0.810 431 A HN 0.165 nan 8.150 nan 0.000 0.445 432 L N -0.026 121.205 121.223 0.013 0.000 2.017 432 L HA -0.166 4.172 4.340 -0.004 0.000 0.208 432 L C 2.696 179.593 176.870 0.044 0.000 1.073 432 L CA 1.601 56.471 54.840 0.049 0.000 0.745 432 L CB -0.741 41.378 42.059 0.100 0.000 0.894 432 L HN 0.431 nan 8.230 nan 0.000 0.432 433 V N -2.735 117.201 119.914 0.037 0.000 2.515 433 V HA -0.125 3.993 4.120 -0.004 0.000 0.250 433 V C 2.589 178.693 176.094 0.018 0.000 1.058 433 V CA 1.386 63.708 62.300 0.037 0.000 1.064 433 V CB -1.216 30.627 31.823 0.035 0.000 0.675 433 V HN 0.302 nan 8.190 nan 0.000 0.461 434 A N 0.626 123.439 122.820 -0.012 0.000 1.877 434 A HA -0.104 4.214 4.320 -0.004 0.000 0.216 434 A C 2.418 179.999 177.584 -0.005 0.000 1.186 434 A CA 2.320 54.341 52.037 -0.026 0.000 0.620 434 A CB -1.013 17.955 19.000 -0.054 0.000 0.822 434 A HN 0.434 nan 8.150 nan 0.000 0.443 435 V N -0.174 119.742 119.914 0.003 0.000 2.332 435 V HA -0.270 3.847 4.120 -0.004 0.000 0.248 435 V C 3.046 179.154 176.094 0.024 0.000 1.055 435 V CA 2.067 64.375 62.300 0.014 0.000 1.038 435 V CB -1.148 30.687 31.823 0.020 0.000 0.651 435 V HN 0.637 nan 8.190 nan 0.000 0.450 436 A N -0.259 122.580 122.820 0.032 0.000 1.898 436 A HA -0.054 4.263 4.320 -0.004 0.000 0.216 436 A C 2.411 180.016 177.584 0.035 0.000 1.181 436 A CA 1.889 53.949 52.037 0.038 0.000 0.620 436 A CB -0.739 18.289 19.000 0.046 0.000 0.819 436 A HN 0.564 nan 8.150 nan 0.000 0.442 437 A N -0.688 122.156 122.820 0.039 0.000 1.933 437 A HA -0.094 4.224 4.320 -0.004 0.000 0.218 437 A C 2.248 179.857 177.584 0.042 0.000 1.175 437 A CA 1.808 53.875 52.037 0.050 0.000 0.628 437 A CB -0.488 18.550 19.000 0.063 0.000 0.814 437 A HN 0.532 nan 8.150 nan 0.000 0.444 438 M N -0.829 118.789 119.600 0.029 0.000 2.123 438 M HA -0.059 4.419 4.480 -0.004 0.000 0.263 438 M C 2.540 178.859 176.300 0.031 0.000 1.069 438 M CA 1.344 56.659 55.300 0.025 0.000 1.133 438 M CB -0.290 32.316 32.600 0.011 0.000 1.356 438 M HN 0.453 nan 8.290 nan 0.000 0.415 439 A N 0.122 122.961 122.820 0.033 0.000 1.930 439 A HA -0.148 4.170 4.320 -0.004 0.000 0.217 439 A C 2.234 179.854 177.584 0.060 0.000 1.175 439 A CA 2.163 54.225 52.037 0.041 0.000 0.627 439 A CB -1.111 17.913 19.000 0.040 0.000 0.815 439 A HN 0.589 nan 8.150 nan 0.000 0.443 440 T N -4.979 109.611 114.554 0.059 0.000 3.044 440 T HA 0.375 4.722 4.350 -0.004 0.000 0.255 440 T C 1.629 176.361 174.700 0.053 0.000 1.073 440 T CA 1.198 63.340 62.100 0.070 0.000 1.125 440 T CB -0.062 68.789 68.868 -0.028 0.000 0.908 440 T HN 1.681 nan 8.240 nan 0.000 0.480 441 G N 1.971 110.798 108.800 0.045 0.000 2.184 441 G HA2 -0.242 3.716 3.960 -0.004 0.000 0.264 441 G HA3 -0.242 3.716 3.960 -0.004 0.000 0.264 441 G C 0.243 175.171 174.900 0.047 0.000 0.975 441 G CA 0.154 45.284 45.100 0.050 0.000 0.642 441 G HN 0.705 nan 8.290 nan 0.000 0.536 442 R N 0.231 120.742 120.500 0.019 0.000 2.720 442 R HA 0.496 4.834 4.340 -0.004 0.000 0.272 442 R C -2.824 173.502 176.300 0.043 0.000 0.991 442 R CA -2.075 54.027 56.100 0.004 0.000 1.010 442 R CB 0.765 31.018 30.300 -0.078 0.000 1.141 442 R HN 0.027 nan 8.270 nan 0.000 0.494 443 P HA -0.007 nan 4.420 nan 0.000 0.268 443 P C -0.527 176.801 177.300 0.047 0.000 1.204 443 P CA -0.121 63.044 63.100 0.108 0.000 0.768 443 P CB 0.647 32.366 31.700 0.032 0.000 0.842 444 V N 0.882 120.863 119.914 0.113 0.000 2.914 444 V HA 0.673 4.790 4.120 -0.004 0.000 0.314 444 V C -0.930 175.260 176.094 0.160 0.000 1.084 444 V CA -0.546 61.796 62.300 0.070 0.000 0.963 444 V CB 2.370 34.231 31.823 0.063 0.000 1.025 444 V HN 0.596 nan 8.190 nan 0.000 0.432 445 H N 3.599 122.658 119.070 -0.020 0.000 2.759 445 H HA 0.693 5.246 4.556 -0.005 0.000 0.354 445 H C -2.202 173.202 175.328 0.127 0.000 1.074 445 H CA -0.600 55.485 56.048 0.062 0.000 1.226 445 H CB 2.174 31.872 29.762 -0.107 0.000 1.648 445 H HN 0.789 nan 8.280 nan 0.000 0.529 446 L N 5.853 127.036 121.223 -0.066 0.000 2.372 446 L HA 0.461 4.798 4.340 -0.004 0.000 0.274 446 L C -0.987 175.960 176.870 0.129 0.000 0.988 446 L CA -0.415 54.496 54.840 0.119 0.000 0.833 446 L CB 1.186 43.340 42.059 0.158 0.000 1.236 446 L HN 0.633 nan 8.230 nan 0.000 0.410 447 R N 3.995 124.667 120.500 0.287 0.000 2.393 447 R HA 0.430 4.767 4.340 -0.004 0.000 0.315 447 R C -1.414 175.122 176.300 0.392 0.000 0.952 447 R CA -0.619 55.674 56.100 0.322 0.000 0.842 447 R CB 0.922 31.435 30.300 0.354 0.000 1.163 447 R HN 0.506 nan 8.270 nan 0.000 0.450 448 Y N 2.593 122.956 120.300 0.106 0.000 2.336 448 Y HA 0.067 4.615 4.550 -0.004 0.000 0.331 448 Y C 0.795 176.751 175.900 0.093 0.000 1.211 448 Y CA -0.854 57.303 58.100 0.095 0.000 1.346 448 Y CB 0.484 38.978 38.460 0.057 0.000 1.271 448 Y HN 0.657 nan 8.280 nan 0.000 0.538 449 N N 0.426 119.265 118.700 0.231 0.000 2.434 449 N HA 0.004 4.742 4.740 -0.004 0.000 0.266 449 N C 0.505 176.131 175.510 0.193 0.000 1.223 449 N CA -0.482 52.690 53.050 0.204 0.000 0.972 449 N CB 0.133 38.721 38.487 0.168 0.000 1.207 449 N HN 0.616 nan 8.380 nan 0.000 0.525 450 Y N -0.321 120.055 120.300 0.128 0.000 2.193 450 Y HA -0.240 4.308 4.550 -0.004 0.000 0.285 450 Y C 1.968 177.946 175.900 0.130 0.000 1.166 450 Y CA 1.905 60.071 58.100 0.110 0.000 1.181 450 Y CB -0.003 38.508 38.460 0.085 0.000 0.976 450 Y HN 0.567 nan 8.280 nan 0.000 0.520 451 Q N -0.152 119.789 119.800 0.234 0.000 2.084 451 Q HA -0.214 4.123 4.340 -0.004 0.000 0.202 451 Q C 2.165 178.268 176.000 0.171 0.000 0.978 451 Q CA 1.966 57.898 55.803 0.214 0.000 0.844 451 Q CB -0.327 28.533 28.738 0.204 0.000 0.898 451 Q HN 0.573 nan 8.270 nan 0.000 0.426 452 Q N -0.496 119.392 119.800 0.146 0.000 2.172 452 Q HA -0.194 4.143 4.340 -0.004 0.000 0.200 452 Q C 2.018 178.149 176.000 0.218 0.000 0.964 452 Q CA 1.224 57.127 55.803 0.167 0.000 0.855 452 Q CB -0.051 28.714 28.738 0.045 0.000 0.918 452 Q HN 0.283 nan 8.270 nan 0.000 0.444 453 Q N 0.649 120.483 119.800 0.056 0.000 2.084 453 Q HA -0.195 4.142 4.340 -0.004 0.000 0.202 453 Q C 1.918 177.735 176.000 -0.304 0.000 0.978 453 Q CA 1.584 57.265 55.803 -0.204 0.000 0.844 453 Q CB 0.074 28.440 28.738 -0.620 0.000 0.898 453 Q HN 0.257 nan 8.270 nan 0.000 0.426 454 Q N -0.180 119.481 119.800 -0.231 0.000 2.049 454 Q HA -0.087 4.251 4.340 -0.004 0.000 0.198 454 Q C 2.078 177.824 176.000 -0.423 0.000 0.971 454 Q CA 1.605 57.262 55.803 -0.244 0.000 0.833 454 Q CB -0.064 28.721 28.738 0.079 0.000 0.896 454 Q HN 0.609 nan 8.270 nan 0.000 0.434 455 Q N -1.255 118.517 119.800 -0.047 0.000 2.269 455 Q HA -0.036 4.302 4.340 -0.004 0.000 0.201 455 Q C 0.345 176.517 176.000 0.286 0.000 0.946 455 Q CA 0.608 56.495 55.803 0.141 0.000 0.877 455 Q CB 0.351 29.341 28.738 0.420 0.000 0.963 455 Q HN 0.317 nan 8.270 nan 0.000 0.472 456 Y N 0.816 121.189 120.300 0.121 0.000 2.685 456 Y HA 0.179 4.727 4.550 -0.004 0.000 0.257 456 Y C -0.644 175.488 175.900 0.387 0.000 1.053 456 Y CA -0.631 57.655 58.100 0.309 0.000 1.106 456 Y CB 0.799 39.419 38.460 0.267 0.000 1.193 456 Y HN -0.077 nan 8.280 nan 0.000 0.602 457 T N -2.499 112.029 114.554 -0.044 0.000 2.916 457 T HA 0.708 5.056 4.350 -0.004 0.000 0.292 457 T C 0.584 174.816 174.700 -0.780 0.000 1.064 457 T CA -0.537 61.376 62.100 -0.313 0.000 1.011 457 T CB 1.495 70.124 68.868 -0.398 0.000 1.152 457 T HN 0.322 nan 8.240 nan 0.000 0.510 458 G N 1.130 109.186 108.800 -1.241 0.000 2.664 458 G HA2 0.493 4.450 3.960 -0.004 0.000 0.242 458 G HA3 0.493 4.450 3.960 -0.004 0.000 0.242 458 G C -0.531 174.133 174.900 -0.395 0.000 1.225 458 G CA -0.440 43.908 45.100 -1.253 0.000 0.849 458 G HN 0.701 nan 8.290 nan 0.000 0.581 459 K N -0.254 120.004 120.400 -0.235 0.000 2.444 459 K HA 0.320 4.638 4.320 -0.004 0.000 0.252 459 K C 0.015 176.663 176.600 0.079 0.000 0.993 459 K CA -1.064 55.223 56.287 -0.001 0.000 0.847 459 K CB 2.188 34.659 32.500 -0.048 0.000 1.340 459 K HN 0.624 nan 8.250 nan 0.000 0.446 460 R N 0.885 121.450 120.500 0.109 0.000 2.538 460 R HA 0.052 4.390 4.340 -0.004 0.000 0.282 460 R C -0.570 175.763 176.300 0.055 0.000 1.009 460 R CA 0.434 56.587 56.100 0.089 0.000 1.063 460 R CB 0.294 30.537 30.300 -0.095 0.000 0.945 460 R HN 0.476 nan 8.270 nan 0.000 0.414 461 S N 6.932 122.719 115.700 0.144 0.000 2.523 461 S HA 0.238 4.706 4.470 -0.004 0.000 0.275 461 S C -2.302 172.435 174.600 0.229 0.000 1.281 461 S CA -1.203 57.131 58.200 0.223 0.000 1.050 461 S CB 1.462 64.910 63.200 0.413 0.000 0.937 461 S HN 0.553 nan 8.310 nan 0.000 0.492 462 P HA 0.163 nan 4.420 nan 0.000 0.268 462 P C -1.140 176.395 177.300 0.392 0.000 1.204 462 P CA -0.226 62.923 63.100 0.082 0.000 0.768 462 P CB 0.293 32.079 31.700 0.143 0.000 0.842 463 W N 2.056 123.277 121.300 -0.131 0.000 2.587 463 W HA 0.317 4.974 4.660 -0.004 0.000 0.324 463 W C 0.089 176.679 176.519 0.119 0.000 1.040 463 W CA -0.470 56.907 57.345 0.053 0.000 1.222 463 W CB 0.754 30.264 29.460 0.083 0.000 1.381 463 W HN 0.235 nan 8.180 nan 0.000 0.483 464 E N 4.023 124.480 120.200 0.428 0.000 2.146 464 E HA 0.443 4.791 4.350 -0.004 0.000 0.282 464 E C -0.497 176.328 176.600 0.375 0.000 0.989 464 E CA -0.401 56.247 56.400 0.413 0.000 0.799 464 E CB 1.358 31.238 29.700 0.302 0.000 1.088 464 E HN 0.403 nan 8.360 nan 0.000 0.397 465 M N 2.549 122.393 119.600 0.408 0.000 2.464 465 M HA 0.313 4.791 4.480 -0.004 0.000 0.308 465 M C -0.231 176.276 176.300 0.346 0.000 1.127 465 M CA -0.630 54.924 55.300 0.423 0.000 0.913 465 M CB 2.324 35.224 32.600 0.500 0.000 1.689 465 M HN 0.163 nan 8.290 nan 0.000 0.445 466 N N 2.335 121.201 118.700 0.276 0.000 2.399 466 N HA 0.621 5.359 4.740 -0.004 0.000 0.280 466 N C -2.190 173.440 175.510 0.199 0.000 1.008 466 N CA -0.174 52.988 53.050 0.187 0.000 0.894 466 N CB 1.776 40.313 38.487 0.083 0.000 1.273 466 N HN 0.475 nan 8.380 nan 0.000 0.486 467 V N 2.963 123.000 119.914 0.206 0.000 2.823 467 V HA 0.554 4.671 4.120 -0.004 0.000 0.312 467 V C -0.444 175.645 176.094 -0.010 0.000 1.072 467 V CA -0.743 61.605 62.300 0.080 0.000 0.937 467 V CB 2.154 33.969 31.823 -0.014 0.000 1.013 467 V HN 0.546 nan 8.190 nan 0.000 0.430 468 K N 3.259 123.628 120.400 -0.051 0.000 2.464 468 K HA 0.682 4.999 4.320 -0.004 0.000 0.253 468 K C -1.703 175.060 176.600 0.272 0.000 0.933 468 K CA -0.460 55.879 56.287 0.087 0.000 0.801 468 K CB 2.864 35.398 32.500 0.056 0.000 1.271 468 K HN 0.509 nan 8.250 nan 0.000 0.430 469 F N 0.889 121.061 119.950 0.370 0.000 2.529 469 F HA 0.558 5.082 4.527 -0.004 0.000 0.320 469 F C -0.202 175.545 175.800 -0.088 0.000 1.118 469 F CA -1.136 56.959 58.000 0.158 0.000 0.915 469 F CB 2.203 41.230 39.000 0.045 0.000 1.161 469 F HN 0.549 nan 8.300 nan 0.000 0.445 470 A N 2.723 125.359 122.820 -0.307 0.000 2.342 470 A HA 0.949 5.266 4.320 -0.004 0.000 0.323 470 A C -1.146 176.261 177.584 -0.295 0.000 1.125 470 A CA -0.400 51.275 52.037 -0.604 0.000 0.785 470 A CB 1.325 19.538 19.000 -1.312 0.000 1.221 470 A HN 0.931 nan 8.150 nan 0.000 0.463 471 A N 2.059 124.756 122.820 -0.205 0.000 2.606 471 A HA 0.701 5.018 4.320 -0.004 0.000 0.293 471 A C -0.600 176.917 177.584 -0.112 0.000 1.082 471 A CA -0.741 51.203 52.037 -0.155 0.000 0.685 471 A CB 1.017 19.927 19.000 -0.149 0.000 1.284 471 A HN 0.730 nan 8.150 nan 0.000 0.408 472 K N 0.432 120.774 120.400 -0.097 0.000 2.107 472 K HA 0.176 4.493 4.320 -0.004 0.000 0.251 472 K C 1.029 177.595 176.600 -0.058 0.000 1.012 472 K CA -0.108 56.137 56.287 -0.069 0.000 0.920 472 K CB 1.080 33.544 32.500 -0.061 0.000 1.033 472 K HN 0.762 nan 8.250 nan 0.000 0.478 473 K N 1.347 121.723 120.400 -0.041 0.000 2.211 473 K HA -0.190 4.128 4.320 -0.004 0.000 0.204 473 K C 1.058 177.639 176.600 -0.032 0.000 1.047 473 K CA 2.271 58.540 56.287 -0.031 0.000 0.935 473 K CB 0.007 32.495 32.500 -0.021 0.000 0.728 473 K HN 0.620 nan 8.250 nan 0.000 0.452 474 D N -1.049 119.330 120.400 -0.035 0.000 2.363 474 D HA -0.004 4.634 4.640 -0.004 0.000 0.220 474 D C 1.166 177.439 176.300 -0.046 0.000 0.994 474 D CA 0.960 54.941 54.000 -0.033 0.000 0.890 474 D CB 0.174 40.957 40.800 -0.028 0.000 0.906 474 D HN 0.465 nan 8.370 nan 0.000 0.530 475 G N -0.807 107.954 108.800 -0.065 0.000 2.179 475 G HA2 -0.240 3.718 3.960 -0.004 0.000 0.220 475 G HA3 -0.240 3.718 3.960 -0.004 0.000 0.220 475 G C 0.348 175.168 174.900 -0.132 0.000 0.990 475 G CA 0.124 45.166 45.100 -0.096 0.000 0.646 475 G HN 0.416 nan 8.290 nan 0.000 0.517 476 T N 2.632 117.120 114.554 -0.109 0.000 2.765 476 T HA 0.411 4.758 4.350 -0.004 0.000 0.284 476 T C 1.031 175.641 174.700 -0.151 0.000 0.946 476 T CA 0.043 62.072 62.100 -0.118 0.000 1.185 476 T CB 0.635 69.454 68.868 -0.083 0.000 0.887 476 T HN 0.360 nan 8.240 nan 0.000 0.532 477 L N 4.469 125.571 121.223 -0.203 0.000 2.499 477 L HA 0.093 4.431 4.340 -0.004 0.000 0.273 477 L C 1.292 178.073 176.870 -0.148 0.000 1.195 477 L CA 0.047 54.744 54.840 -0.237 0.000 0.882 477 L CB 0.348 42.209 42.059 -0.330 0.000 1.133 477 L HN 0.690 nan 8.230 nan 0.000 0.483 478 L N 3.235 124.370 121.223 -0.147 0.000 2.547 478 L HA 0.440 4.778 4.340 -0.004 0.000 0.218 478 L C 0.529 177.359 176.870 -0.068 0.000 1.048 478 L CA 0.170 54.947 54.840 -0.105 0.000 0.859 478 L CB 0.303 42.284 42.059 -0.129 0.000 1.128 478 L HN 0.736 nan 8.230 nan 0.000 0.483 479 A N 0.076 122.843 122.820 -0.088 0.000 2.612 479 A HA 0.724 5.041 4.320 -0.004 0.000 0.293 479 A C -1.454 176.264 177.584 0.223 0.000 1.075 479 A CA -0.370 51.695 52.037 0.047 0.000 0.680 479 A CB 1.970 20.997 19.000 0.044 0.000 1.279 479 A HN -0.003 nan 8.150 nan 0.000 0.411 480 M N 0.798 120.644 119.600 0.410 0.000 2.433 480 M HA 0.607 5.085 4.480 -0.004 0.000 0.290 480 M C -1.774 174.776 176.300 0.418 0.000 1.173 480 M CA -0.105 55.515 55.300 0.533 0.000 0.905 480 M CB 2.120 35.013 32.600 0.488 0.000 1.692 480 M HN 0.770 nan 8.290 nan 0.000 0.462 481 E N 1.875 122.258 120.200 0.304 0.000 2.238 481 E HA 0.652 5.000 4.350 -0.004 0.000 0.267 481 E C -1.445 175.226 176.600 0.119 0.000 0.887 481 E CA -0.776 55.690 56.400 0.111 0.000 0.769 481 E CB 2.478 32.095 29.700 -0.138 0.000 1.187 481 E HN 0.725 nan 8.360 nan 0.000 0.416 482 S N 1.432 117.240 115.700 0.179 0.000 2.540 482 S HA 0.619 5.086 4.470 -0.004 0.000 0.275 482 S C -1.323 173.489 174.600 0.352 0.000 1.123 482 S CA -1.085 57.289 58.200 0.290 0.000 0.907 482 S CB 1.731 65.146 63.200 0.359 0.000 1.081 482 S HN 0.415 nan 8.310 nan 0.000 0.476 483 D N 1.007 121.624 120.400 0.361 0.000 2.863 483 D HA 0.632 5.269 4.640 -0.004 0.000 0.245 483 D C -1.407 175.118 176.300 0.375 0.000 1.211 483 D CA -0.321 53.809 54.000 0.217 0.000 0.888 483 D CB 1.201 42.036 40.800 0.058 0.000 1.483 483 D HN 0.758 nan 8.370 nan 0.000 0.533 484 W N 2.488 123.767 121.300 -0.036 0.000 2.998 484 W HA 0.695 5.353 4.660 -0.004 0.000 0.335 484 W C -2.108 174.293 176.519 -0.196 0.000 1.110 484 W CA -1.442 55.858 57.345 -0.075 0.000 1.230 484 W CB 0.838 30.242 29.460 -0.094 0.000 1.405 484 W HN 0.254 nan 8.180 nan 0.000 0.493 485 L N 4.864 126.061 121.223 -0.044 0.000 2.319 485 L HA 0.683 5.021 4.340 -0.004 0.000 0.281 485 L C -1.168 175.619 176.870 -0.139 0.000 1.005 485 L CA -0.924 53.828 54.840 -0.147 0.000 0.828 485 L CB 1.638 43.667 42.059 -0.050 0.000 1.227 485 L HN 0.467 nan 8.230 nan 0.000 0.415 486 V N 4.217 123.971 119.914 -0.265 0.000 2.364 486 V HA 0.293 4.410 4.120 -0.004 0.000 0.272 486 V C -0.328 175.788 176.094 0.037 0.000 1.036 486 V CA -0.628 61.548 62.300 -0.207 0.000 0.880 486 V CB 1.176 32.804 31.823 -0.325 0.000 0.991 486 V HN 0.745 nan 8.190 nan 0.000 0.460 487 D N 3.278 123.783 120.400 0.175 0.000 2.365 487 D HA 0.079 4.717 4.640 -0.004 0.000 0.237 487 D C 0.592 177.064 176.300 0.286 0.000 1.190 487 D CA 0.121 54.248 54.000 0.212 0.000 0.867 487 D CB 0.406 41.339 40.800 0.222 0.000 1.050 487 D HN 0.643 nan 8.370 nan 0.000 0.491 488 H N 3.200 122.390 119.070 0.201 0.000 2.594 488 H HA 0.265 4.818 4.556 -0.004 0.000 0.279 488 H C 0.990 176.502 175.328 0.307 0.000 1.042 488 H CA 0.520 56.729 56.048 0.268 0.000 1.177 488 H CB 0.396 30.338 29.762 0.299 0.000 1.524 488 H HN 0.712 nan 8.280 nan 0.000 0.537 489 G N 1.703 110.662 108.800 0.266 0.000 2.645 489 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.246 489 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.246 489 G C -1.679 173.355 174.900 0.224 0.000 1.322 489 G CA -0.024 45.222 45.100 0.243 0.000 0.898 489 G HN 0.262 nan 8.290 nan 0.000 0.573 490 P HA 0.135 nan 4.420 nan 0.000 0.235 490 P C -0.200 177.083 177.300 -0.028 0.000 1.177 490 P CA 1.036 64.084 63.100 -0.087 0.000 0.785 490 P CB 0.199 31.641 31.700 -0.431 0.000 0.885 491 Y N 0.480 120.917 120.300 0.228 0.000 2.328 491 Y HA 0.258 4.806 4.550 -0.004 0.000 0.337 491 Y C 1.841 177.874 175.900 0.220 0.000 0.966 491 Y CA -1.498 56.633 58.100 0.051 0.000 1.136 491 Y CB 1.001 39.346 38.460 -0.192 0.000 1.170 491 Y HN -0.125 nan 8.280 nan 0.000 0.470 492 S N 0.598 116.369 115.700 0.119 0.000 2.522 492 S HA -0.078 4.389 4.470 -0.004 0.000 0.227 492 S C 0.231 174.832 174.600 0.003 0.000 0.986 492 S CA -0.076 58.111 58.200 -0.023 0.000 0.929 492 S CB -0.741 62.178 63.200 -0.469 0.000 0.769 492 S HN 0.739 nan 8.310 nan 0.000 0.529 493 E N 1.510 121.715 120.200 0.008 0.000 2.729 493 E HA -0.095 4.252 4.350 -0.004 0.000 0.246 493 E C -0.550 176.006 176.600 -0.074 0.000 0.984 493 E CA 0.148 56.364 56.400 -0.307 0.000 0.951 493 E CB -0.854 28.638 29.700 -0.346 0.000 0.914 493 E HN 0.563 nan 8.360 nan 0.000 0.509 494 F N 1.401 121.453 119.950 0.170 0.000 3.048 494 F HA -0.277 4.248 4.527 -0.004 0.000 0.287 494 F C 1.669 177.509 175.800 0.067 0.000 0.796 494 F CA 0.468 58.584 58.000 0.192 0.000 1.111 494 F CB -1.734 37.505 39.000 0.399 0.000 1.320 494 F HN 0.710 nan 8.300 nan 0.000 0.430 495 G N 0.930 109.615 108.800 -0.191 0.000 2.402 495 G HA2 -0.234 3.723 3.960 -0.004 0.000 0.216 495 G HA3 -0.234 3.723 3.960 -0.004 0.000 0.216 495 G C 1.245 175.921 174.900 -0.374 0.000 1.162 495 G CA 1.196 45.876 45.100 -0.701 0.000 0.777 495 G HN 0.532 nan 8.290 nan 0.000 0.539 496 D N 0.810 120.879 120.400 -0.553 0.000 2.117 496 D HA -0.101 4.537 4.640 -0.004 0.000 0.197 496 D C 2.237 177.968 176.300 -0.949 0.000 0.987 496 D CA 0.563 53.839 54.000 -1.207 0.000 0.829 496 D CB -0.751 38.706 40.800 -2.239 0.000 0.961 496 D HN 0.277 nan 8.370 nan 0.000 0.460 497 L N -0.237 120.602 121.223 -0.641 0.000 2.046 497 L HA -0.019 4.319 4.340 -0.004 0.000 0.208 497 L C 2.158 179.082 176.870 0.091 0.000 1.077 497 L CA 1.177 55.976 54.840 -0.068 0.000 0.747 497 L CB -0.743 41.499 42.059 0.305 0.000 0.896 497 L HN 0.139 nan 8.230 nan 0.000 0.432 498 L N -1.015 120.234 121.223 0.043 0.000 2.042 498 L HA -0.196 4.141 4.340 -0.004 0.000 0.210 498 L C 2.304 179.296 176.870 0.204 0.000 1.076 498 L CA 2.476 57.266 54.840 -0.084 0.000 0.749 498 L CB -1.159 40.965 42.059 0.109 0.000 0.893 498 L HN 0.330 nan 8.230 nan 0.000 0.432 499 T N 0.011 114.658 114.554 0.154 0.000 2.720 499 T HA -0.204 4.143 4.350 -0.004 0.000 0.268 499 T C 1.806 176.800 174.700 0.490 0.000 1.037 499 T CA 1.661 63.911 62.100 0.250 0.000 1.144 499 T CB -0.485 68.503 68.868 0.200 0.000 0.864 499 T HN 0.346 nan 8.240 nan 0.000 0.444 500 L N 1.516 122.989 121.223 0.417 0.000 2.127 500 L HA -0.051 4.286 4.340 -0.004 0.000 0.211 500 L C 2.300 179.423 176.870 0.422 0.000 1.089 500 L CA 1.642 56.763 54.840 0.469 0.000 0.757 500 L CB -0.515 41.834 42.059 0.483 0.000 0.899 500 L HN 0.005 nan 8.230 nan 0.000 0.434 501 R N -0.022 120.722 120.500 0.407 0.000 2.159 501 R HA -0.076 4.261 4.340 -0.004 0.000 0.237 501 R C 2.163 178.725 176.300 0.436 0.000 1.131 501 R CA 1.102 57.487 56.100 0.475 0.000 0.982 501 R CB -1.315 29.228 30.300 0.405 0.000 0.868 501 R HN 0.594 nan 8.270 nan 0.000 0.453 502 G N 0.605 109.613 108.800 0.346 0.000 2.422 502 G HA2 -0.207 3.750 3.960 -0.004 0.000 0.218 502 G HA3 -0.207 3.750 3.960 -0.004 0.000 0.218 502 G C 1.572 176.210 174.900 -0.436 0.000 1.146 502 G CA 0.794 45.705 45.100 -0.316 0.000 0.769 502 G HN 0.413 nan 8.290 nan 0.000 0.547 503 A N 0.435 123.311 122.820 0.094 0.000 1.969 503 A HA -0.025 4.292 4.320 -0.004 0.000 0.218 503 A C 2.308 179.918 177.584 0.044 0.000 1.169 503 A CA 1.774 53.928 52.037 0.196 0.000 0.635 503 A CB -0.246 18.970 19.000 0.361 0.000 0.810 503 A HN 0.480 nan 8.150 nan 0.000 0.445 504 Q N -2.453 117.331 119.800 -0.026 0.000 2.354 504 Q HA 0.168 4.505 4.340 -0.004 0.000 0.203 504 Q C 0.790 176.422 176.000 -0.613 0.000 0.933 504 Q CA 0.925 56.524 55.803 -0.340 0.000 0.901 504 Q CB 0.075 28.526 28.738 -0.478 0.000 1.007 504 Q HN 0.763 nan 8.270 nan 0.000 0.495 505 F N -0.543 119.464 119.950 0.095 0.000 2.834 505 F HA 0.292 4.816 4.527 -0.004 0.000 0.332 505 F C 0.483 176.295 175.800 0.020 0.000 1.056 505 F CA -0.581 57.467 58.000 0.079 0.000 1.178 505 F CB 1.001 40.073 39.000 0.121 0.000 1.037 505 F HN -0.152 nan 8.300 nan 0.000 0.580 506 I N 1.555 122.169 120.570 0.074 0.000 2.664 506 I HA 0.154 4.321 4.170 -0.004 0.000 0.284 506 I C 1.345 177.537 176.117 0.124 0.000 1.154 506 I CA 0.923 62.240 61.300 0.027 0.000 1.402 506 I CB -0.224 37.707 38.000 -0.116 0.000 1.395 506 I HN 0.486 nan 8.210 nan 0.000 0.545 507 G N 4.390 113.311 108.800 0.202 0.000 2.157 507 G HA2 -0.228 3.729 3.960 -0.004 0.000 0.248 507 G HA3 -0.228 3.729 3.960 -0.004 0.000 0.248 507 G C 0.463 175.502 174.900 0.233 0.000 0.979 507 G CA -0.068 45.232 45.100 0.334 0.000 0.650 507 G HN 0.970 nan 8.290 nan 0.000 0.529 508 A N -0.507 122.409 122.820 0.161 0.000 2.531 508 A HA 0.638 4.955 4.320 -0.004 0.000 0.236 508 A C 1.967 179.411 177.584 -0.233 0.000 1.062 508 A CA 2.200 54.303 52.037 0.110 0.000 0.760 508 A CB 0.125 19.305 19.000 0.300 0.000 0.995 508 A HN 2.385 nan 8.150 nan 0.000 0.501 509 G N 0.177 108.648 108.800 -0.548 0.000 2.278 509 G HA2 -0.164 3.793 3.960 -0.004 0.000 0.210 509 G HA3 -0.164 3.793 3.960 -0.004 0.000 0.210 509 G C -0.067 173.697 174.900 -1.893 0.000 1.000 509 G CA 0.266 44.598 45.100 -1.281 0.000 0.635 509 G HN 1.010 nan 8.290 nan 0.000 0.495 510 Y N 0.161 119.987 120.300 -0.789 0.000 2.499 510 Y HA 0.665 5.213 4.550 -0.004 0.000 0.347 510 Y C 0.166 175.955 175.900 -0.185 0.000 0.987 510 Y CA -1.218 56.589 58.100 -0.489 0.000 1.044 510 Y CB 1.295 39.574 38.460 -0.301 0.000 1.245 510 Y HN 0.072 nan 8.280 nan 0.000 0.461 511 N N 2.466 121.226 118.700 0.100 0.000 2.416 511 N HA 0.240 4.978 4.740 -0.004 0.000 0.265 511 N C -1.411 174.151 175.510 0.086 0.000 1.195 511 N CA 0.352 53.495 53.050 0.154 0.000 0.943 511 N CB 0.005 38.560 38.487 0.113 0.000 1.115 511 N HN 0.559 nan 8.380 nan 0.000 0.481 512 I N 5.730 126.367 120.570 0.112 0.000 2.495 512 I HA 0.264 4.431 4.170 -0.004 0.000 0.277 512 I C -1.770 174.399 176.117 0.088 0.000 1.045 512 I CA -1.843 59.506 61.300 0.081 0.000 1.135 512 I CB 2.075 40.147 38.000 0.119 0.000 1.241 512 I HN 0.451 nan 8.210 nan 0.000 0.469 513 P HA -0.002 nan 4.420 nan 0.000 0.225 513 P C -0.363 176.978 177.300 0.068 0.000 1.156 513 P CA 1.031 64.166 63.100 0.057 0.000 0.787 513 P CB 0.221 31.942 31.700 0.035 0.000 0.802 514 N N 0.374 119.123 118.700 0.083 0.000 2.448 514 N HA 0.364 5.102 4.740 -0.004 0.000 0.279 514 N C -0.822 174.778 175.510 0.150 0.000 1.025 514 N CA -0.297 52.815 53.050 0.104 0.000 0.898 514 N CB 2.096 40.640 38.487 0.094 0.000 1.303 514 N HN -0.014 nan 8.380 nan 0.000 0.495 515 I N 1.712 122.370 120.570 0.147 0.000 2.533 515 I HA 0.392 4.559 4.170 -0.004 0.000 0.290 515 I C -0.482 175.725 176.117 0.150 0.000 1.056 515 I CA -0.698 60.707 61.300 0.174 0.000 1.057 515 I CB 1.973 40.074 38.000 0.169 0.000 1.240 515 I HN 0.061 nan 8.210 nan 0.000 0.423 516 R N 4.074 124.666 120.500 0.154 0.000 2.451 516 R HA 0.763 5.100 4.340 -0.004 0.000 0.307 516 R C -0.531 175.845 176.300 0.127 0.000 0.965 516 R CA -0.781 55.387 56.100 0.113 0.000 0.865 516 R CB 1.889 32.234 30.300 0.074 0.000 1.174 516 R HN 0.896 nan 8.270 nan 0.000 0.455 517 G N 1.176 110.064 108.800 0.147 0.000 2.690 517 G HA2 0.642 4.600 3.960 -0.004 0.000 0.291 517 G HA3 0.642 4.600 3.960 -0.004 0.000 0.291 517 G C -1.993 172.942 174.900 0.058 0.000 1.403 517 G CA -0.434 44.790 45.100 0.206 0.000 0.864 517 G HN 0.312 nan 8.290 nan 0.000 0.480 518 L N 0.605 121.740 121.223 -0.148 0.000 2.516 518 L HA 0.769 5.106 4.340 -0.004 0.000 0.267 518 L C 0.184 176.293 176.870 -1.270 0.000 0.957 518 L CA -0.194 54.337 54.840 -0.515 0.000 0.860 518 L CB 1.911 43.773 42.059 -0.327 0.000 1.265 518 L HN 0.894 nan 8.230 nan 0.000 0.403 519 G N 3.917 111.650 108.800 -1.777 0.000 2.371 519 G HA2 0.725 4.682 3.960 -0.004 0.000 0.326 519 G HA3 0.725 4.682 3.960 -0.004 0.000 0.326 519 G C -1.009 173.281 174.900 -1.018 0.000 1.127 519 G CA -0.631 43.132 45.100 -2.228 0.000 0.885 519 G HN 0.583 nan 8.290 nan 0.000 0.477 520 R N 0.661 120.675 120.500 -0.809 0.000 2.628 520 R HA 0.488 4.826 4.340 -0.004 0.000 0.288 520 R C -0.892 175.178 176.300 -0.384 0.000 0.980 520 R CA -0.665 55.142 56.100 -0.487 0.000 0.891 520 R CB 2.322 32.393 30.300 -0.383 0.000 1.188 520 R HN 0.524 nan 8.270 nan 0.000 0.450 521 T N 1.604 115.959 114.554 -0.332 0.000 2.795 521 T HA 0.376 4.723 4.350 -0.004 0.000 0.282 521 T C -0.756 173.589 174.700 -0.592 0.000 0.980 521 T CA -0.602 61.244 62.100 -0.424 0.000 1.012 521 T CB 1.750 70.321 68.868 -0.495 0.000 0.936 521 T HN 0.203 nan 8.240 nan 0.000 0.457 522 V N 2.229 121.923 119.914 -0.366 0.000 2.638 522 V HA 0.758 4.875 4.120 -0.004 0.000 0.306 522 V C -0.494 175.637 176.094 0.062 0.000 1.052 522 V CA -0.944 61.236 62.300 -0.199 0.000 0.885 522 V CB 1.575 33.343 31.823 -0.091 0.000 0.999 522 V HN 1.146 nan 8.190 nan 0.000 0.424 523 A N 4.649 127.617 122.820 0.247 0.000 2.409 523 A HA 0.744 5.061 4.320 -0.004 0.000 0.262 523 A C 0.418 178.139 177.584 0.228 0.000 1.113 523 A CA 0.521 52.781 52.037 0.372 0.000 0.790 523 A CB 0.335 19.612 19.000 0.461 0.000 1.046 523 A HN 1.316 nan 8.150 nan 0.000 0.496 524 T N -0.707 113.983 114.554 0.227 0.000 2.858 524 T HA 0.429 4.776 4.350 -0.004 0.000 0.285 524 T C 0.153 174.950 174.700 0.163 0.000 1.052 524 T CA -0.646 61.578 62.100 0.208 0.000 1.009 524 T CB 1.047 70.061 68.868 0.243 0.000 1.241 524 T HN 0.425 nan 8.240 nan 0.000 0.542 525 N N -0.409 118.377 118.700 0.142 0.000 2.268 525 N HA 0.150 4.887 4.740 -0.004 0.000 0.204 525 N C 0.111 175.715 175.510 0.157 0.000 1.124 525 N CA -0.253 52.847 53.050 0.084 0.000 0.838 525 N CB -0.026 38.444 38.487 -0.027 0.000 0.994 525 N HN 0.468 nan 8.380 nan 0.000 0.489 526 H N 0.320 119.496 119.070 0.176 0.000 2.490 526 H HA 0.266 4.819 4.556 -0.004 0.000 0.354 526 H C 0.216 175.690 175.328 0.243 0.000 1.365 526 H CA -0.693 55.487 56.048 0.220 0.000 1.413 526 H CB 0.868 30.761 29.762 0.218 0.000 1.631 526 H HN -0.263 nan 8.280 nan 0.000 0.607 527 V N 2.834 123.122 119.914 0.623 0.000 2.720 527 V HA -0.184 3.933 4.120 -0.004 0.000 0.307 527 V C 0.433 176.697 176.094 0.282 0.000 1.071 527 V CA 0.383 62.928 62.300 0.409 0.000 1.199 527 V CB -0.745 31.229 31.823 0.251 0.000 0.900 527 V HN 0.708 nan 8.190 nan 0.000 0.494 528 W N 3.742 125.107 121.300 0.109 0.000 2.148 528 W HA 0.533 5.191 4.660 -0.004 0.000 0.347 528 W C 0.635 177.141 176.519 -0.023 0.000 1.288 528 W CA -0.400 56.962 57.345 0.029 0.000 1.252 528 W CB 0.386 29.910 29.460 0.106 0.000 1.156 528 W HN 0.804 nan 8.180 nan 0.000 0.580 529 G N 2.861 111.460 108.800 -0.336 0.000 2.349 529 G HA2 0.439 4.397 3.960 -0.004 0.000 0.281 529 G HA3 0.439 4.397 3.960 -0.004 0.000 0.281 529 G C -1.127 173.652 174.900 -0.201 0.000 1.182 529 G CA -0.678 44.122 45.100 -0.501 0.000 0.899 529 G HN 0.565 nan 8.290 nan 0.000 0.455 530 S N 0.461 116.107 115.700 -0.090 0.000 2.532 530 S HA 0.698 5.166 4.470 -0.004 0.000 0.301 530 S C 0.577 175.356 174.600 0.297 0.000 1.083 530 S CA -0.373 57.921 58.200 0.157 0.000 1.025 530 S CB 1.828 65.030 63.200 0.003 0.000 1.056 530 S HN 1.140 nan 8.310 nan 0.000 0.494 531 A N 1.951 124.929 122.820 0.263 0.000 2.587 531 A HA 0.312 4.630 4.320 -0.004 0.000 0.235 531 A C -0.660 177.143 177.584 0.366 0.000 1.044 531 A CA 0.597 52.722 52.037 0.145 0.000 0.754 531 A CB -0.448 18.276 19.000 -0.459 0.000 0.968 531 A HN 0.602 nan 8.150 nan 0.000 0.509 532 F N 2.794 122.858 119.950 0.189 0.000 2.536 532 F HA 0.446 4.970 4.527 -0.004 0.000 0.322 532 F C 0.608 176.403 175.800 -0.008 0.000 1.144 532 F CA -1.398 56.663 58.000 0.103 0.000 0.924 532 F CB 1.292 40.176 39.000 -0.193 0.000 1.181 532 F HN 0.789 nan 8.300 nan 0.000 0.438 533 R N 3.830 124.631 120.500 0.502 0.000 3.841 533 R HA 0.047 4.385 4.340 -0.004 0.000 0.164 533 R C 1.073 177.353 176.300 -0.034 0.000 0.560 533 R CA 1.912 58.141 56.100 0.216 0.000 0.881 533 R CB -0.654 29.830 30.300 0.308 0.000 1.050 533 R HN 1.222 nan 8.270 nan 0.000 0.289 534 G N 3.397 112.045 108.800 -0.254 0.000 2.376 534 G HA2 -0.356 3.602 3.960 -0.004 0.000 0.208 534 G HA3 -0.356 3.602 3.960 -0.004 0.000 0.208 534 G C 0.063 174.633 174.900 -0.550 0.000 1.032 534 G CA 0.032 44.784 45.100 -0.580 0.000 0.641 534 G HN 0.936 nan 8.290 nan 0.000 0.503 535 Y N 0.870 120.984 120.300 -0.310 0.000 2.961 535 Y HA -0.029 4.518 4.550 -0.004 0.000 0.184 535 Y C 1.768 177.652 175.900 -0.027 0.000 1.515 535 Y CA 2.143 60.185 58.100 -0.097 0.000 0.883 535 Y CB -0.905 37.555 38.460 -0.000 0.000 1.412 535 Y HN 2.203 nan 8.280 nan 0.000 0.362 536 G N 0.981 109.603 108.800 -0.297 0.000 2.358 536 G HA2 -0.349 3.608 3.960 -0.004 0.000 0.224 536 G HA3 -0.349 3.608 3.960 -0.004 0.000 0.224 536 G C 1.090 175.716 174.900 -0.457 0.000 1.073 536 G CA 0.757 45.627 45.100 -0.383 0.000 0.635 536 G HN 1.565 nan 8.290 nan 0.000 0.509 537 A N 1.751 124.353 122.820 -0.364 0.000 1.858 537 A HA 0.264 4.582 4.320 -0.004 0.000 0.216 537 A C 0.557 177.941 177.584 -0.333 0.000 1.190 537 A CA 2.771 54.596 52.037 -0.355 0.000 0.617 537 A CB -1.261 17.408 19.000 -0.552 0.000 0.827 537 A HN 0.463 nan 8.150 nan 0.000 0.443 538 P HA -0.173 nan 4.420 nan 0.000 0.216 538 P C 1.264 178.452 177.300 -0.187 0.000 1.150 538 P CA 1.638 64.614 63.100 -0.208 0.000 0.843 538 P CB -0.051 31.351 31.700 -0.497 0.000 0.787 539 Q N -1.098 118.374 119.800 -0.546 0.000 1.994 539 Q HA -0.059 4.278 4.340 -0.004 0.000 0.198 539 Q C 2.410 178.210 176.000 -0.334 0.000 0.976 539 Q CA 1.700 57.134 55.803 -0.616 0.000 0.828 539 Q CB -1.053 26.790 28.738 -1.492 0.000 0.894 539 Q HN 0.111 nan 8.270 nan 0.000 0.432 540 S N 0.227 115.671 115.700 -0.426 0.000 2.353 540 S HA -0.119 4.349 4.470 -0.004 0.000 0.222 540 S C 1.865 176.405 174.600 -0.101 0.000 1.035 540 S CA 1.397 59.499 58.200 -0.162 0.000 1.025 540 S CB -0.190 62.967 63.200 -0.072 0.000 0.902 540 S HN 0.323 nan 8.310 nan 0.000 0.440 541 M N -0.310 119.227 119.600 -0.105 0.000 2.419 541 M HA 0.049 4.526 4.480 -0.004 0.000 0.264 541 M C 1.864 178.049 176.300 -0.193 0.000 1.082 541 M CA 0.725 55.963 55.300 -0.104 0.000 1.119 541 M CB -0.450 32.094 32.600 -0.094 0.000 1.398 541 M HN 0.297 nan 8.290 nan 0.000 0.453 542 F N 1.804 121.559 119.950 -0.324 0.000 2.134 542 F HA -0.172 4.353 4.527 -0.004 0.000 0.299 542 F C 2.347 177.855 175.800 -0.486 0.000 1.097 542 F CA 1.691 59.462 58.000 -0.383 0.000 1.264 542 F CB -0.268 38.602 39.000 -0.216 0.000 1.001 542 F HN 0.061 nan 8.300 nan 0.000 0.479 543 A N -0.200 122.329 122.820 -0.486 0.000 1.873 543 A HA -0.147 4.170 4.320 -0.004 0.000 0.215 543 A C 2.361 179.432 177.584 -0.854 0.000 1.186 543 A CA 2.053 53.502 52.037 -0.981 0.000 0.616 543 A CB -1.408 17.395 19.000 -0.329 0.000 0.823 543 A HN 0.498 nan 8.150 nan 0.000 0.442 544 S N -0.799 114.669 115.700 -0.386 0.000 2.414 544 S HA -0.066 4.401 4.470 -0.004 0.000 0.227 544 S C 1.529 176.099 174.600 -0.049 0.000 1.022 544 S CA 1.174 59.279 58.200 -0.159 0.000 0.958 544 S CB -0.197 63.056 63.200 0.087 0.000 0.797 544 S HN 0.474 nan 8.310 nan 0.000 0.493 545 E N 0.637 120.731 120.200 -0.176 0.000 2.230 545 E HA 0.094 4.441 4.350 -0.004 0.000 0.192 545 E C 2.074 178.533 176.600 -0.235 0.000 0.987 545 E CA 0.492 56.815 56.400 -0.129 0.000 0.841 545 E CB -0.539 29.064 29.700 -0.162 0.000 0.783 545 E HN 0.589 nan 8.360 nan 0.000 0.481 546 C N 0.368 119.381 119.300 -0.478 0.000 2.486 546 C HA 0.002 4.459 4.460 -0.004 0.000 0.279 546 C C 2.646 177.528 174.990 -0.180 0.000 1.302 546 C CA 0.008 58.759 59.018 -0.445 0.000 1.720 546 C CB -0.838 26.425 27.740 -0.796 0.000 2.030 546 C HN 0.309 nan 8.230 nan 0.000 0.490 547 L N 0.327 121.439 121.223 -0.186 0.000 2.141 547 L HA -0.065 4.272 4.340 -0.004 0.000 0.209 547 L C 2.359 179.350 176.870 0.202 0.000 1.094 547 L CA 1.776 56.647 54.840 0.051 0.000 0.763 547 L CB -0.529 41.441 42.059 -0.149 0.000 0.908 547 L HN 0.201 nan 8.230 nan 0.000 0.437 548 M N -1.120 118.603 119.600 0.204 0.000 2.159 548 M HA -0.202 4.276 4.480 -0.004 0.000 0.263 548 M C 1.748 178.060 176.300 0.021 0.000 1.063 548 M CA 1.450 56.814 55.300 0.107 0.000 1.110 548 M CB -1.158 31.422 32.600 -0.034 0.000 1.374 548 M HN 0.233 nan 8.290 nan 0.000 0.411 549 D N -0.366 120.036 120.400 0.004 0.000 2.183 549 D HA -0.035 4.603 4.640 -0.004 0.000 0.203 549 D C 2.020 178.337 176.300 0.028 0.000 0.969 549 D CA 0.888 54.886 54.000 -0.003 0.000 0.842 549 D CB -0.040 40.742 40.800 -0.030 0.000 0.957 549 D HN 0.275 nan 8.370 nan 0.000 0.484 550 M N -0.420 119.218 119.600 0.063 0.000 2.132 550 M HA -0.078 4.400 4.480 -0.004 0.000 0.263 550 M C 1.908 178.263 176.300 0.092 0.000 1.065 550 M CA 0.709 56.065 55.300 0.093 0.000 1.122 550 M CB -0.079 32.610 32.600 0.149 0.000 1.365 550 M HN 0.055 nan 8.290 nan 0.000 0.411 551 L N 0.663 121.954 121.223 0.114 0.000 2.042 551 L HA -0.119 4.219 4.340 -0.004 0.000 0.210 551 L C 2.511 179.396 176.870 0.026 0.000 1.076 551 L CA 2.166 57.057 54.840 0.086 0.000 0.749 551 L CB -0.872 41.245 42.059 0.096 0.000 0.893 551 L HN 0.222 nan 8.230 nan 0.000 0.432 552 A N -0.749 122.075 122.820 0.006 0.000 1.883 552 A HA -0.295 4.023 4.320 -0.004 0.000 0.217 552 A C 2.336 179.927 177.584 0.012 0.000 1.186 552 A CA 1.884 53.918 52.037 -0.006 0.000 0.624 552 A CB -0.825 18.168 19.000 -0.012 0.000 0.822 552 A HN 0.645 nan 8.150 nan 0.000 0.444 553 E N -0.267 119.948 120.200 0.025 0.000 2.077 553 E HA -0.262 4.086 4.350 -0.004 0.000 0.193 553 E C 2.030 178.647 176.600 0.029 0.000 0.989 553 E CA 1.622 58.039 56.400 0.029 0.000 0.800 553 E CB -0.139 29.582 29.700 0.035 0.000 0.746 553 E HN 0.601 nan 8.360 nan 0.000 0.452 554 K N 0.089 120.510 120.400 0.034 0.000 2.148 554 K HA -0.064 4.254 4.320 -0.004 0.000 0.204 554 K C 2.041 178.653 176.600 0.020 0.000 1.050 554 K CA 0.835 57.142 56.287 0.033 0.000 0.942 554 K CB 0.039 32.565 32.500 0.045 0.000 0.724 554 K HN 0.181 nan 8.250 nan 0.000 0.446 555 L N -0.768 120.461 121.223 0.011 0.000 2.341 555 L HA 0.103 4.441 4.340 -0.004 0.000 0.214 555 L C 1.076 177.948 176.870 0.003 0.000 1.115 555 L CA 0.609 55.449 54.840 0.001 0.000 0.820 555 L CB 0.032 42.083 42.059 -0.013 0.000 0.944 555 L HN 0.538 nan 8.230 nan 0.000 0.452 556 G N 0.480 109.285 108.800 0.008 0.000 2.160 556 G HA2 -0.309 3.649 3.960 -0.004 0.000 0.244 556 G HA3 -0.309 3.649 3.960 -0.004 0.000 0.244 556 G C 0.014 174.920 174.900 0.009 0.000 1.022 556 G CA 0.171 45.277 45.100 0.010 0.000 0.741 556 G HN 0.238 nan 8.290 nan 0.000 0.508 557 M N 0.247 119.852 119.600 0.008 0.000 2.508 557 M HA 0.431 4.909 4.480 -0.004 0.000 0.327 557 M C -0.045 176.267 176.300 0.020 0.000 1.160 557 M CA -0.806 54.499 55.300 0.008 0.000 0.980 557 M CB 1.185 33.782 32.600 -0.006 0.000 1.693 557 M HN 0.194 nan 8.290 nan 0.000 0.452 558 D N 4.779 125.199 120.400 0.034 0.000 2.450 558 D HA 0.049 4.687 4.640 -0.004 0.000 0.247 558 D C -1.566 174.755 176.300 0.036 0.000 1.162 558 D CA -0.936 53.105 54.000 0.067 0.000 0.879 558 D CB 1.062 41.922 40.800 0.101 0.000 1.163 558 D HN 0.255 nan 8.370 nan 0.000 0.472 559 P HA -0.192 nan 4.420 nan 0.000 0.216 559 P C 1.501 178.757 177.300 -0.073 0.000 1.150 559 P CA 0.577 63.665 63.100 -0.021 0.000 0.837 559 P CB 0.161 31.856 31.700 -0.007 0.000 0.786 560 L N 0.436 121.574 121.223 -0.142 0.000 2.056 560 L HA -0.075 4.262 4.340 -0.004 0.000 0.207 560 L C 2.522 179.365 176.870 -0.045 0.000 1.078 560 L CA 1.852 56.573 54.840 -0.199 0.000 0.749 560 L CB -1.299 40.476 42.059 -0.474 0.000 0.901 560 L HN -0.111 nan 8.230 nan 0.000 0.433 561 E N -0.717 119.478 120.200 -0.008 0.000 2.110 561 E HA -0.250 4.097 4.350 -0.004 0.000 0.193 561 E C 2.181 178.812 176.600 0.051 0.000 0.988 561 E CA 1.374 57.797 56.400 0.038 0.000 0.804 561 E CB -0.150 29.565 29.700 0.025 0.000 0.745 561 E HN 0.450 nan 8.360 nan 0.000 0.458 562 L N 1.211 122.429 121.223 -0.009 0.000 2.083 562 L HA -0.145 4.192 4.340 -0.004 0.000 0.209 562 L C 2.257 179.070 176.870 -0.094 0.000 1.083 562 L CA 1.611 56.412 54.840 -0.065 0.000 0.752 562 L CB -0.211 41.784 42.059 -0.107 0.000 0.899 562 L HN -0.038 nan 8.230 nan 0.000 0.433 563 R N -2.001 118.473 120.500 -0.045 0.000 2.075 563 R HA -0.193 4.145 4.340 -0.004 0.000 0.232 563 R C 2.263 178.624 176.300 0.102 0.000 1.126 563 R CA 1.668 57.795 56.100 0.046 0.000 0.963 563 R CB -0.697 29.676 30.300 0.121 0.000 0.858 563 R HN 0.399 nan 8.270 nan 0.000 0.435 564 Y N 1.978 122.265 120.300 -0.021 0.000 2.207 564 Y HA -0.308 4.240 4.550 -0.004 0.000 0.287 564 Y C 2.289 178.177 175.900 -0.019 0.000 1.156 564 Y CA 1.847 59.936 58.100 -0.018 0.000 1.182 564 Y CB -0.062 38.383 38.460 -0.024 0.000 0.979 564 Y HN -0.149 nan 8.280 nan 0.000 0.521 565 K N 0.226 120.641 120.400 0.026 0.000 2.097 565 K HA -0.122 4.196 4.320 -0.004 0.000 0.206 565 K C 1.438 177.976 176.600 -0.103 0.000 1.049 565 K CA 2.067 58.325 56.287 -0.049 0.000 0.933 565 K CB -0.217 32.268 32.500 -0.025 0.000 0.717 565 K HN 0.337 nan 8.250 nan 0.000 0.442 566 N N -0.064 118.587 118.700 -0.082 0.000 2.282 566 N HA 0.112 4.849 4.740 -0.004 0.000 0.185 566 N C -0.394 175.139 175.510 0.039 0.000 1.099 566 N CA 0.415 53.434 53.050 -0.051 0.000 0.878 566 N CB 0.475 38.860 38.487 -0.170 0.000 0.993 566 N HN 0.179 nan 8.380 nan 0.000 0.481 567 A N 1.081 123.903 122.820 0.004 0.000 2.520 567 A HA 0.047 4.365 4.320 -0.004 0.000 0.235 567 A C -0.469 177.055 177.584 -0.099 0.000 1.065 567 A CA -0.127 51.838 52.037 -0.121 0.000 0.764 567 A CB -0.297 18.621 19.000 -0.136 0.000 1.002 567 A HN 0.155 nan 8.150 nan 0.000 0.502 568 Y N 1.363 121.635 120.300 -0.047 0.000 2.916 568 Y HA 0.084 4.632 4.550 -0.004 0.000 0.344 568 Y C 1.275 177.226 175.900 0.084 0.000 1.282 568 Y CA 1.169 59.292 58.100 0.039 0.000 1.604 568 Y CB -0.022 38.455 38.460 0.028 0.000 1.207 568 Y HN 0.608 nan 8.280 nan 0.000 0.561 569 R N 3.828 124.413 120.500 0.141 0.000 2.808 569 R HA 0.422 4.760 4.340 -0.004 0.000 0.272 569 R C -2.822 173.069 176.300 -0.681 0.000 0.995 569 R CA -2.380 53.564 56.100 -0.259 0.000 0.917 569 R CB 1.683 31.860 30.300 -0.205 0.000 1.217 569 R HN 0.250 nan 8.270 nan 0.000 0.471 570 P HA -0.070 nan 4.420 nan 0.000 0.260 570 P C 0.466 177.533 177.300 -0.389 0.000 1.172 570 P CA 1.410 63.882 63.100 -1.046 0.000 0.760 570 P CB 0.440 31.729 31.700 -0.684 0.000 0.773 571 G N 2.207 110.897 108.800 -0.182 0.000 2.259 571 G HA2 -0.164 3.793 3.960 -0.004 0.000 0.217 571 G HA3 -0.164 3.793 3.960 -0.004 0.000 0.217 571 G C -0.038 174.859 174.900 -0.005 0.000 1.001 571 G CA -0.364 44.696 45.100 -0.067 0.000 0.627 571 G HN 0.492 nan 8.290 nan 0.000 0.501 572 D N 1.521 121.937 120.400 0.027 0.000 2.344 572 D HA 0.566 5.204 4.640 -0.004 0.000 0.244 572 D C 0.892 177.235 176.300 0.072 0.000 1.134 572 D CA 1.079 55.133 54.000 0.090 0.000 0.930 572 D CB 1.276 42.193 40.800 0.195 0.000 1.175 572 D HN 0.524 nan 8.370 nan 0.000 0.437 573 T N -1.877 112.710 114.554 0.056 0.000 2.908 573 T HA 0.512 4.859 4.350 -0.004 0.000 0.290 573 T C 0.138 174.836 174.700 -0.004 0.000 1.034 573 T CA -1.136 60.952 62.100 -0.019 0.000 1.010 573 T CB 1.336 70.205 68.868 0.002 0.000 1.068 573 T HN 0.352 nan 8.240 nan 0.000 0.481 574 N N 0.984 119.595 118.700 -0.149 0.000 2.294 574 N HA 0.294 5.031 4.740 -0.004 0.000 0.248 574 N C -2.107 173.419 175.510 0.027 0.000 1.300 574 N CA -2.025 50.995 53.050 -0.050 0.000 0.925 574 N CB -0.674 37.653 38.487 -0.267 0.000 1.188 574 N HN 0.228 nan 8.380 nan 0.000 0.512 575 P HA -0.112 nan 4.420 nan 0.000 0.219 575 P C 0.692 178.009 177.300 0.029 0.000 1.146 575 P CA 1.818 64.950 63.100 0.053 0.000 0.808 575 P CB -0.191 31.534 31.700 0.041 0.000 0.779 576 T N -5.225 109.322 114.554 -0.011 0.000 3.219 576 T HA 0.356 4.703 4.350 -0.004 0.000 0.249 576 T C 1.361 176.062 174.700 0.002 0.000 1.099 576 T CA 0.314 62.415 62.100 0.001 0.000 0.988 576 T CB -1.035 67.825 68.868 -0.013 0.000 0.999 576 T HN 0.242 nan 8.240 nan 0.000 0.550 577 G N 0.715 109.516 108.800 0.001 0.000 2.141 577 G HA2 -0.249 3.709 3.960 -0.004 0.000 0.242 577 G HA3 -0.249 3.709 3.960 -0.004 0.000 0.242 577 G C -0.267 174.625 174.900 -0.012 0.000 0.982 577 G CA 0.163 45.265 45.100 0.004 0.000 0.662 577 G HN 0.878 nan 8.290 nan 0.000 0.527 578 Q N 0.192 119.970 119.800 -0.036 0.000 2.245 578 Q HA 0.526 4.863 4.340 -0.004 0.000 0.256 578 Q C -0.153 175.794 176.000 -0.089 0.000 0.942 578 Q CA -0.622 55.157 55.803 -0.041 0.000 0.896 578 Q CB 0.899 29.627 28.738 -0.017 0.000 1.272 578 Q HN 0.447 nan 8.270 nan 0.000 0.442 579 E N 3.797 123.965 120.200 -0.054 0.000 2.344 579 E HA 0.177 4.525 4.350 -0.004 0.000 0.270 579 E C -2.219 174.281 176.600 -0.168 0.000 1.021 579 E CA -1.767 54.596 56.400 -0.060 0.000 0.887 579 E CB 0.795 30.515 29.700 0.034 0.000 0.997 579 E HN 0.454 nan 8.360 nan 0.000 0.429 580 P HA -0.116 nan 4.420 nan 0.000 0.267 580 P C 0.402 177.390 177.300 -0.520 0.000 1.200 580 P CA 0.206 62.973 63.100 -0.556 0.000 0.772 580 P CB 0.566 31.690 31.700 -0.960 0.000 0.855 581 E N 2.070 122.100 120.200 -0.285 0.000 2.250 581 E HA 0.001 4.348 4.350 -0.004 0.000 0.192 581 E C 0.408 176.860 176.600 -0.246 0.000 0.986 581 E CA 0.793 57.103 56.400 -0.149 0.000 0.849 581 E CB -0.185 29.544 29.700 0.048 0.000 0.797 581 E HN 0.289 nan 8.360 nan 0.000 0.482 582 V N -2.262 117.402 119.914 -0.415 0.000 3.141 582 V HA 0.670 4.787 4.120 -0.004 0.000 0.312 582 V C -1.068 174.491 176.094 -0.890 0.000 1.157 582 V CA -1.224 60.835 62.300 -0.402 0.000 1.041 582 V CB 1.409 33.188 31.823 -0.073 0.000 1.071 582 V HN -0.021 nan 8.190 nan 0.000 0.441 583 F N 1.262 121.087 119.950 -0.209 0.000 2.686 583 F HA 0.539 5.064 4.527 -0.004 0.000 0.365 583 F C 0.950 176.513 175.800 -0.395 0.000 1.196 583 F CA -0.022 57.810 58.000 -0.279 0.000 1.198 583 F CB 1.715 40.636 39.000 -0.132 0.000 1.454 583 F HN 0.658 nan 8.300 nan 0.000 0.539 584 S N -0.213 115.185 115.700 -0.503 0.000 2.559 584 S HA 0.188 4.656 4.470 -0.004 0.000 0.226 584 S C 1.394 175.819 174.600 -0.291 0.000 1.000 584 S CA -0.115 57.684 58.200 -0.668 0.000 0.948 584 S CB -0.028 62.635 63.200 -0.894 0.000 0.870 584 S HN 0.524 nan 8.310 nan 0.000 0.497 585 L N 1.325 122.418 121.223 -0.217 0.000 2.027 585 L HA 0.081 4.419 4.340 -0.004 0.000 0.206 585 L C -0.777 176.067 176.870 -0.043 0.000 1.074 585 L CA 1.109 55.879 54.840 -0.117 0.000 0.745 585 L CB -1.551 40.427 42.059 -0.135 0.000 0.898 585 L HN 0.211 nan 8.230 nan 0.000 0.433 586 P HA -0.197 nan 4.420 nan 0.000 0.216 586 P C 1.034 178.432 177.300 0.162 0.000 1.153 586 P CA 1.494 64.599 63.100 0.009 0.000 0.858 586 P CB 0.025 31.647 31.700 -0.131 0.000 0.789 587 D N -1.254 119.197 120.400 0.086 0.000 2.097 587 D HA -0.139 4.499 4.640 -0.004 0.000 0.195 587 D C 1.891 178.248 176.300 0.095 0.000 0.989 587 D CA 1.318 55.388 54.000 0.117 0.000 0.827 587 D CB -0.493 40.400 40.800 0.155 0.000 0.966 587 D HN 0.083 nan 8.370 nan 0.000 0.456 588 M N -0.373 119.257 119.600 0.050 0.000 2.132 588 M HA -0.091 4.386 4.480 -0.004 0.000 0.263 588 M C 2.401 178.722 176.300 0.035 0.000 1.065 588 M CA 0.864 56.182 55.300 0.029 0.000 1.122 588 M CB -0.095 32.499 32.600 -0.010 0.000 1.365 588 M HN 0.040 nan 8.290 nan 0.000 0.411 589 I N 0.251 120.863 120.570 0.070 0.000 2.142 589 I HA -0.332 3.836 4.170 -0.004 0.000 0.240 589 I C 1.986 178.129 176.117 0.044 0.000 1.078 589 I CA 1.257 62.604 61.300 0.079 0.000 1.343 589 I CB -0.587 37.536 38.000 0.205 0.000 1.046 589 I HN 0.267 nan 8.210 nan 0.000 0.405 590 D N 0.474 120.922 120.400 0.080 0.000 2.133 590 D HA -0.235 4.402 4.640 -0.004 0.000 0.195 590 D C 2.209 178.514 176.300 0.008 0.000 0.997 590 D CA 1.452 55.454 54.000 0.003 0.000 0.840 590 D CB -0.237 40.602 40.800 0.064 0.000 0.947 590 D HN 0.477 nan 8.370 nan 0.000 0.452 591 Q N -0.501 119.319 119.800 0.033 0.000 2.311 591 Q HA -0.037 4.301 4.340 -0.004 0.000 0.203 591 Q C 2.067 178.079 176.000 0.021 0.000 0.954 591 Q CA 0.227 56.047 55.803 0.028 0.000 0.885 591 Q CB 0.156 28.916 28.738 0.038 0.000 0.963 591 Q HN 0.162 nan 8.270 nan 0.000 0.471 592 L N 0.238 121.472 121.223 0.018 0.000 2.209 592 L HA -0.012 4.326 4.340 -0.004 0.000 0.207 592 L C 2.198 179.103 176.870 0.058 0.000 1.094 592 L CA 1.160 56.015 54.840 0.025 0.000 0.790 592 L CB -0.225 41.834 42.059 0.001 0.000 0.932 592 L HN -0.000 nan 8.230 nan 0.000 0.447 593 R N 0.416 120.939 120.500 0.038 0.000 2.136 593 R HA -0.190 4.147 4.340 -0.004 0.000 0.242 593 R C -0.525 175.840 176.300 0.109 0.000 1.131 593 R CA 2.610 58.755 56.100 0.076 0.000 0.937 593 R CB -1.575 28.720 30.300 -0.009 0.000 0.863 593 R HN 0.351 nan 8.270 nan 0.000 0.435 594 P HA -0.172 nan 4.420 nan 0.000 0.216 594 P C 0.341 177.665 177.300 0.040 0.000 1.150 594 P CA 1.557 64.677 63.100 0.033 0.000 0.837 594 P CB -0.158 31.552 31.700 0.016 0.000 0.786 595 K N -0.875 119.560 120.400 0.058 0.000 2.097 595 K HA -0.178 4.140 4.320 -0.004 0.000 0.206 595 K C 2.404 179.058 176.600 0.090 0.000 1.049 595 K CA 1.322 57.645 56.287 0.059 0.000 0.933 595 K CB -0.817 31.718 32.500 0.058 0.000 0.717 595 K HN 0.257 nan 8.250 nan 0.000 0.442 596 Y N 2.079 122.375 120.300 -0.007 0.000 2.163 596 Y HA -0.202 4.346 4.550 -0.004 0.000 0.288 596 Y C 2.504 178.400 175.900 -0.007 0.000 1.136 596 Y CA 1.234 59.332 58.100 -0.004 0.000 1.147 596 Y CB 0.129 38.587 38.460 -0.005 0.000 0.987 596 Y HN 0.003 nan 8.280 nan 0.000 0.509 597 Q N 0.597 120.313 119.800 -0.140 0.000 2.050 597 Q HA -0.183 4.154 4.340 -0.004 0.000 0.202 597 Q C 2.544 178.444 176.000 -0.167 0.000 0.980 597 Q CA 1.561 57.233 55.803 -0.218 0.000 0.840 597 Q CB -0.897 27.793 28.738 -0.080 0.000 0.898 597 Q HN 0.650 nan 8.270 nan 0.000 0.424 598 A N 0.686 123.454 122.820 -0.086 0.000 1.972 598 A HA -0.068 4.250 4.320 -0.004 0.000 0.219 598 A C 2.250 179.793 177.584 -0.068 0.000 1.169 598 A CA 1.824 53.825 52.037 -0.059 0.000 0.635 598 A CB -0.497 18.488 19.000 -0.025 0.000 0.810 598 A HN 0.359 nan 8.150 nan 0.000 0.446 599 A N -0.400 122.371 122.820 -0.081 0.000 1.930 599 A HA 0.102 4.419 4.320 -0.004 0.000 0.215 599 A C 2.120 179.638 177.584 -0.112 0.000 1.176 599 A CA 1.147 53.145 52.037 -0.066 0.000 0.632 599 A CB -0.500 18.491 19.000 -0.015 0.000 0.819 599 A HN 0.441 nan 8.150 nan 0.000 0.445 600 L N -0.825 120.264 121.223 -0.223 0.000 2.012 600 L HA -0.244 4.093 4.340 -0.004 0.000 0.210 600 L C 2.641 179.435 176.870 -0.127 0.000 1.073 600 L CA 1.929 56.638 54.840 -0.220 0.000 0.748 600 L CB -0.480 41.367 42.059 -0.354 0.000 0.891 600 L HN 0.453 nan 8.230 nan 0.000 0.431 601 E N -0.057 120.075 120.200 -0.114 0.000 2.051 601 E HA -0.260 4.088 4.350 -0.004 0.000 0.192 601 E C 2.220 178.790 176.600 -0.050 0.000 0.991 601 E CA 1.296 57.653 56.400 -0.072 0.000 0.799 601 E CB 0.043 29.706 29.700 -0.063 0.000 0.748 601 E HN 0.211 nan 8.360 nan 0.000 0.449 602 K N -0.040 120.332 120.400 -0.046 0.000 2.032 602 K HA -0.199 4.118 4.320 -0.004 0.000 0.209 602 K C 2.080 178.666 176.600 -0.024 0.000 1.048 602 K CA 1.260 57.530 56.287 -0.029 0.000 0.927 602 K CB -0.174 32.312 32.500 -0.023 0.000 0.712 602 K HN 0.139 nan 8.250 nan 0.000 0.441 603 A N 1.004 123.806 122.820 -0.030 0.000 1.908 603 A HA -0.251 4.067 4.320 -0.004 0.000 0.218 603 A C 2.094 179.669 177.584 -0.015 0.000 1.181 603 A CA 1.670 53.696 52.037 -0.018 0.000 0.627 603 A CB -0.599 18.387 19.000 -0.023 0.000 0.818 603 A HN 0.490 nan 8.150 nan 0.000 0.445 604 Q N -0.552 119.233 119.800 -0.025 0.000 2.046 604 Q HA -0.200 4.138 4.340 -0.004 0.000 0.200 604 Q C 2.232 178.225 176.000 -0.012 0.000 0.975 604 Q CA 1.855 57.647 55.803 -0.019 0.000 0.836 604 Q CB -0.142 28.580 28.738 -0.027 0.000 0.896 604 Q HN 0.754 nan 8.270 nan 0.000 0.428 605 K N 0.453 120.844 120.400 -0.015 0.000 2.057 605 K HA -0.175 4.142 4.320 -0.004 0.000 0.207 605 K C 1.286 177.882 176.600 -0.005 0.000 1.049 605 K CA 1.740 58.020 56.287 -0.011 0.000 0.931 605 K CB 0.038 32.530 32.500 -0.015 0.000 0.714 605 K HN 0.149 nan 8.250 nan 0.000 0.440 606 E N 0.580 120.778 120.200 -0.004 0.000 2.474 606 E HA 0.078 4.426 4.350 -0.004 0.000 0.194 606 E C -0.374 176.232 176.600 0.011 0.000 1.041 606 E CA -0.325 56.075 56.400 -0.000 0.000 0.874 606 E CB 0.649 30.346 29.700 -0.003 0.000 0.914 606 E HN 0.150 nan 8.360 nan 0.000 0.498 607 S N 1.281 116.990 115.700 0.015 0.000 2.560 607 S HA 0.064 4.532 4.470 -0.004 0.000 0.284 607 S C 0.427 175.048 174.600 0.034 0.000 1.327 607 S CA -0.034 58.184 58.200 0.029 0.000 1.055 607 S CB 0.820 64.032 63.200 0.021 0.000 0.868 607 S HN 0.302 nan 8.310 nan 0.000 0.506 608 T N -0.562 114.027 114.554 0.058 0.000 2.804 608 T HA 0.718 5.065 4.350 -0.004 0.000 0.272 608 T C 1.161 175.893 174.700 0.053 0.000 0.986 608 T CA -0.326 61.809 62.100 0.058 0.000 0.999 608 T CB 0.959 69.877 68.868 0.083 0.000 1.307 608 T HN 0.419 nan 8.240 nan 0.000 0.586 609 A N 0.207 123.055 122.820 0.046 0.000 2.014 609 A HA 0.118 4.435 4.320 -0.004 0.000 0.218 609 A C 2.280 179.872 177.584 0.013 0.000 1.163 609 A CA 1.778 53.831 52.037 0.026 0.000 0.652 609 A CB -1.337 17.675 19.000 0.021 0.000 0.808 609 A HN 1.032 nan 8.150 nan 0.000 0.449 610 T N -4.265 110.308 114.554 0.033 0.000 3.023 610 T HA 0.181 4.528 4.350 -0.004 0.000 0.249 610 T C 0.223 174.777 174.700 -0.244 0.000 1.050 610 T CA 0.441 62.502 62.100 -0.063 0.000 1.088 610 T CB -0.223 68.639 68.868 -0.010 0.000 0.946 610 T HN 0.430 nan 8.240 nan 0.000 0.480 611 H N 1.410 120.484 119.070 0.006 0.000 2.786 611 H HA 0.499 5.053 4.556 -0.004 0.000 0.284 611 H C -0.683 174.648 175.328 0.006 0.000 1.104 611 H CA -0.684 55.368 56.048 0.007 0.000 1.339 611 H CB 0.848 30.614 29.762 0.006 0.000 1.427 611 H HN 0.111 nan 8.280 nan 0.000 0.497 612 K N 3.041 123.477 120.400 0.060 0.000 2.227 612 K HA 0.334 4.651 4.320 -0.004 0.000 0.280 612 K C -0.199 176.427 176.600 0.044 0.000 1.041 612 K CA -0.586 55.725 56.287 0.041 0.000 0.905 612 K CB 1.796 34.305 32.500 0.015 0.000 1.068 612 K HN 0.417 nan 8.250 nan 0.000 0.470 613 K N 1.030 121.452 120.400 0.037 0.000 2.123 613 K HA 0.502 4.820 4.320 -0.004 0.000 0.259 613 K C -0.041 176.570 176.600 0.019 0.000 0.960 613 K CA -0.674 55.631 56.287 0.030 0.000 0.872 613 K CB 1.889 34.404 32.500 0.025 0.000 1.079 613 K HN 0.779 nan 8.250 nan 0.000 0.440 614 G N 0.261 109.074 108.800 0.022 0.000 2.690 614 G HA2 0.570 4.528 3.960 -0.004 0.000 0.291 614 G HA3 0.570 4.528 3.960 -0.004 0.000 0.291 614 G C -1.615 173.305 174.900 0.033 0.000 1.403 614 G CA -0.493 44.620 45.100 0.022 0.000 0.864 614 G HN 0.322 nan 8.290 nan 0.000 0.480 615 V N -0.079 119.864 119.914 0.049 0.000 2.577 615 V HA 0.839 4.956 4.120 -0.004 0.000 0.303 615 V C 0.450 176.628 176.094 0.141 0.000 1.042 615 V CA -0.259 62.098 62.300 0.096 0.000 0.872 615 V CB 1.577 33.456 31.823 0.092 0.000 0.998 615 V HN 1.188 nan 8.190 nan 0.000 0.423 616 G N 4.402 113.273 108.800 0.119 0.000 2.482 616 G HA2 0.794 4.751 3.960 -0.004 0.000 0.317 616 G HA3 0.794 4.751 3.960 -0.004 0.000 0.317 616 G C -1.345 173.593 174.900 0.063 0.000 1.241 616 G CA -0.535 44.613 45.100 0.079 0.000 0.967 616 G HN 0.408 nan 8.290 nan 0.000 0.482 617 I N 1.080 121.653 120.570 0.006 0.000 2.608 617 I HA 0.626 4.793 4.170 -0.004 0.000 0.295 617 I C 0.106 176.212 176.117 -0.019 0.000 1.049 617 I CA -0.759 60.521 61.300 -0.033 0.000 1.063 617 I CB 1.730 39.619 38.000 -0.185 0.000 1.248 617 I HN 0.674 nan 8.210 nan 0.000 0.424 618 S N 5.675 121.401 115.700 0.043 0.000 2.607 618 S HA 0.751 5.219 4.470 -0.004 0.000 0.273 618 S C -0.938 173.767 174.600 0.175 0.000 1.148 618 S CA -0.783 57.447 58.200 0.051 0.000 0.833 618 S CB 2.246 65.400 63.200 -0.078 0.000 1.130 618 S HN 0.395 nan 8.310 nan 0.000 0.470 619 I N 0.786 121.437 120.570 0.135 0.000 2.525 619 I HA 0.682 4.849 4.170 -0.004 0.000 0.301 619 I C 0.476 176.696 176.117 0.172 0.000 0.992 619 I CA -0.634 60.739 61.300 0.121 0.000 1.162 619 I CB 2.091 40.074 38.000 -0.029 0.000 1.332 619 I HN 0.960 nan 8.210 nan 0.000 0.458 620 G N 4.330 113.259 108.800 0.215 0.000 2.566 620 G HA2 0.662 4.619 3.960 -0.004 0.000 0.311 620 G HA3 0.662 4.619 3.960 -0.004 0.000 0.311 620 G C -1.513 173.452 174.900 0.109 0.000 1.322 620 G CA -0.307 44.927 45.100 0.223 0.000 0.969 620 G HN 0.342 nan 8.290 nan 0.000 0.490 621 V N 1.803 121.769 119.914 0.087 0.000 2.760 621 V HA 0.666 4.783 4.120 -0.004 0.000 0.309 621 V C -1.269 174.857 176.094 0.054 0.000 1.077 621 V CA -0.785 61.566 62.300 0.086 0.000 0.910 621 V CB 1.624 33.582 31.823 0.225 0.000 1.008 621 V HN 0.822 nan 8.190 nan 0.000 0.424 622 Y N 1.047 121.227 120.300 -0.200 0.000 2.581 622 Y HA 0.653 5.200 4.550 -0.004 0.000 0.337 622 Y C 0.524 176.283 175.900 -0.236 0.000 1.108 622 Y CA -0.583 57.271 58.100 -0.411 0.000 1.033 622 Y CB 2.214 40.375 38.460 -0.498 0.000 1.318 622 Y HN 0.816 nan 8.280 nan 0.000 0.459 623 G N 1.234 109.447 108.800 -0.978 0.000 2.503 623 G HA2 0.406 4.364 3.960 -0.004 0.000 0.257 623 G HA3 0.406 4.364 3.960 -0.004 0.000 0.257 623 G C -1.047 173.292 174.900 -0.935 0.000 1.214 623 G CA -0.451 43.809 45.100 -1.400 0.000 0.839 623 G HN 0.457 nan 8.290 nan 0.000 0.559 624 S N 0.200 115.520 115.700 -0.632 0.000 2.532 624 S HA 0.754 5.221 4.470 -0.004 0.000 0.318 624 S C 0.395 174.883 174.600 -0.187 0.000 1.083 624 S CA 0.309 58.323 58.200 -0.310 0.000 1.131 624 S CB 0.690 63.781 63.200 -0.182 0.000 0.973 624 S HN 1.640 nan 8.310 nan 0.000 0.468 625 G N 2.275 111.006 108.800 -0.116 0.000 2.326 625 G HA2 0.106 4.063 3.960 -0.004 0.000 0.413 625 G HA3 0.106 4.063 3.960 -0.004 0.000 0.413 625 G C -1.493 173.524 174.900 0.194 0.000 1.444 625 G CA -1.169 43.973 45.100 0.069 0.000 1.002 625 G HN 0.572 nan 8.290 nan 0.000 0.649 626 L N 0.215 121.542 121.223 0.174 0.000 2.439 626 L HA 0.406 4.744 4.340 -0.004 0.000 0.259 626 L C 0.335 177.283 176.870 0.130 0.000 1.129 626 L CA -0.820 54.147 54.840 0.213 0.000 0.803 626 L CB 0.612 42.752 42.059 0.136 0.000 1.161 626 L HN 0.560 nan 8.230 nan 0.000 0.462 627 D N 1.191 121.620 120.400 0.049 0.000 2.493 627 D HA 0.394 5.031 4.640 -0.004 0.000 0.240 627 D C 0.616 176.598 176.300 -0.530 0.000 1.142 627 D CA 1.454 55.255 54.000 -0.333 0.000 0.872 627 D CB 0.617 41.340 40.800 -0.129 0.000 1.173 627 D HN 0.802 nan 8.370 nan 0.000 0.467 628 G N 2.868 111.227 108.800 -0.736 0.000 2.615 628 G HA2 -0.158 3.799 3.960 -0.004 0.000 0.218 628 G HA3 -0.158 3.799 3.960 -0.004 0.000 0.218 628 G C -2.464 172.203 174.900 -0.388 0.000 1.339 628 G CA -0.850 43.767 45.100 -0.804 0.000 0.884 628 G HN 0.484 nan 8.290 nan 0.000 0.559 629 P HA 0.272 nan 4.420 nan 0.000 0.230 629 P C -0.336 176.872 177.300 -0.152 0.000 1.791 629 P CA -0.064 62.919 63.100 -0.195 0.000 1.020 629 P CB 0.126 31.730 31.700 -0.160 0.000 1.977 630 D N 2.057 122.382 120.400 -0.126 0.000 2.419 630 D HA 0.291 4.929 4.640 -0.004 0.000 0.236 630 D C -0.269 175.988 176.300 -0.072 0.000 1.165 630 D CA 0.433 54.395 54.000 -0.063 0.000 0.882 630 D CB 0.695 41.490 40.800 -0.009 0.000 1.201 630 D HN 0.320 nan 8.370 nan 0.000 0.443 631 A N 1.414 124.208 122.820 -0.042 0.000 2.587 631 A HA 0.611 4.929 4.320 -0.004 0.000 0.293 631 A C -0.946 176.633 177.584 -0.008 0.000 1.087 631 A CA -0.564 51.454 52.037 -0.032 0.000 0.692 631 A CB 1.855 20.808 19.000 -0.079 0.000 1.291 631 A HN 0.428 nan 8.150 nan 0.000 0.407 632 S N -0.428 115.291 115.700 0.032 0.000 2.661 632 S HA 0.760 5.227 4.470 -0.004 0.000 0.285 632 S C -1.329 173.273 174.600 0.003 0.000 1.138 632 S CA -0.367 57.825 58.200 -0.014 0.000 0.855 632 S CB 1.814 64.991 63.200 -0.039 0.000 1.136 632 S HN 0.869 nan 8.310 nan 0.000 0.484 633 E N 0.320 120.492 120.200 -0.046 0.000 2.331 633 E HA 0.696 5.044 4.350 -0.004 0.000 0.275 633 E C -1.567 174.970 176.600 -0.105 0.000 0.895 633 E CA -0.816 55.568 56.400 -0.026 0.000 0.753 633 E CB 1.928 31.621 29.700 -0.012 0.000 1.216 633 E HN 0.798 nan 8.360 nan 0.000 0.434 634 A N 3.234 126.034 122.820 -0.034 0.000 2.539 634 A HA 0.712 5.030 4.320 -0.004 0.000 0.296 634 A C -1.964 175.708 177.584 0.147 0.000 1.073 634 A CA -0.746 51.255 52.037 -0.060 0.000 0.700 634 A CB 1.122 20.147 19.000 0.043 0.000 1.296 634 A HN 0.515 nan 8.150 nan 0.000 0.405 635 W N 0.708 122.104 121.300 0.161 0.000 2.538 635 W HA 0.653 5.310 4.660 -0.004 0.000 0.322 635 W C -0.043 176.620 176.519 0.240 0.000 1.028 635 W CA -1.430 56.016 57.345 0.169 0.000 1.228 635 W CB 1.398 30.925 29.460 0.111 0.000 1.356 635 W HN 0.980 nan 8.180 nan 0.000 0.452 636 A N 2.703 125.745 122.820 0.370 0.000 2.249 636 A HA 0.566 4.884 4.320 -0.004 0.000 0.314 636 A C -0.470 177.262 177.584 0.247 0.000 1.290 636 A CA -0.486 51.709 52.037 0.263 0.000 0.893 636 A CB 0.745 19.846 19.000 0.168 0.000 1.165 636 A HN 0.597 nan 8.150 nan 0.000 0.530 637 E N 2.931 123.287 120.200 0.260 0.000 2.191 637 E HA 0.460 4.807 4.350 -0.004 0.000 0.263 637 E C -1.514 175.191 176.600 0.175 0.000 0.881 637 E CA -0.740 55.804 56.400 0.240 0.000 0.757 637 E CB 1.193 31.112 29.700 0.365 0.000 1.147 637 E HN 0.582 nan 8.360 nan 0.000 0.414 638 L N 4.711 126.038 121.223 0.172 0.000 2.313 638 L HA 0.333 4.670 4.340 -0.004 0.000 0.282 638 L C -0.878 176.111 176.870 0.199 0.000 1.092 638 L CA 0.328 55.272 54.840 0.173 0.000 0.831 638 L CB 0.356 42.539 42.059 0.207 0.000 1.159 638 L HN 0.581 nan 8.230 nan 0.000 0.442 639 N N 3.078 121.806 118.700 0.047 0.000 2.476 639 N HA 0.539 5.276 4.740 -0.004 0.000 0.276 639 N C 0.944 176.120 175.510 -0.556 0.000 1.204 639 N CA -0.063 52.905 53.050 -0.137 0.000 0.974 639 N CB 0.902 39.335 38.487 -0.090 0.000 1.204 639 N HN 0.716 nan 8.380 nan 0.000 0.543 640 A N 0.507 122.785 122.820 -0.904 0.000 1.940 640 A HA -0.214 4.104 4.320 -0.004 0.000 0.219 640 A C 1.251 178.545 177.584 -0.482 0.000 1.176 640 A CA 1.990 53.305 52.037 -1.204 0.000 0.631 640 A CB -0.726 17.870 19.000 -0.674 0.000 0.814 640 A HN 0.877 nan 8.150 nan 0.000 0.446 641 D N -2.018 118.222 120.400 -0.266 0.000 2.352 641 D HA 0.282 4.919 4.640 -0.004 0.000 0.232 641 D C 1.138 177.396 176.300 -0.071 0.000 1.055 641 D CA 0.890 54.817 54.000 -0.122 0.000 0.891 641 D CB -0.712 40.039 40.800 -0.082 0.000 0.897 641 D HN 0.820 nan 8.370 nan 0.000 0.529 642 G N -0.015 108.739 108.800 -0.077 0.000 2.179 642 G HA2 -0.289 3.668 3.960 -0.004 0.000 0.260 642 G HA3 -0.289 3.668 3.960 -0.004 0.000 0.260 642 G C 0.546 175.445 174.900 -0.002 0.000 0.977 642 G CA 0.624 45.721 45.100 -0.006 0.000 0.641 642 G HN 0.795 nan 8.290 nan 0.000 0.533 643 T N -1.190 113.351 114.554 -0.022 0.000 2.816 643 T HA 0.714 5.062 4.350 -0.004 0.000 0.282 643 T C 0.247 174.949 174.700 0.004 0.000 0.993 643 T CA -0.424 61.670 62.100 -0.009 0.000 0.994 643 T CB 2.119 70.976 68.868 -0.018 0.000 1.025 643 T HN 0.566 nan 8.240 nan 0.000 0.529 644 I N 0.989 121.564 120.570 0.009 0.000 2.466 644 I HA 0.299 4.466 4.170 -0.004 0.000 0.289 644 I C -0.131 175.985 176.117 -0.002 0.000 1.026 644 I CA -0.729 60.585 61.300 0.024 0.000 1.078 644 I CB 2.341 40.359 38.000 0.030 0.000 1.249 644 I HN 0.704 nan 8.210 nan 0.000 0.429 645 T N 5.603 120.147 114.554 -0.017 0.000 2.767 645 T HA 0.384 4.732 4.350 -0.004 0.000 0.288 645 T C -0.148 174.471 174.700 -0.134 0.000 0.963 645 T CA -0.427 61.586 62.100 -0.145 0.000 1.019 645 T CB 1.446 70.146 68.868 -0.280 0.000 0.923 645 T HN 0.167 nan 8.240 nan 0.000 0.468 646 V N 5.667 125.513 119.914 -0.114 0.000 2.304 646 V HA 0.214 4.331 4.120 -0.004 0.000 0.269 646 V C 0.252 176.315 176.094 -0.052 0.000 1.036 646 V CA -0.893 61.409 62.300 0.002 0.000 0.840 646 V CB -0.089 31.779 31.823 0.074 0.000 1.036 646 V HN 0.854 nan 8.190 nan 0.000 0.466 647 H N 3.894 123.024 119.070 0.100 0.000 2.742 647 H HA 0.492 5.045 4.556 -0.004 0.000 0.302 647 H C 0.452 175.682 175.328 -0.163 0.000 1.069 647 H CA 0.034 56.083 56.048 0.000 0.000 1.446 647 H CB 1.371 31.181 29.762 0.081 0.000 1.462 647 H HN 0.726 nan 8.280 nan 0.000 0.499 648 T N -1.005 113.546 114.554 -0.005 0.000 2.841 648 T HA 0.579 4.926 4.350 -0.004 0.000 0.296 648 T C -0.022 174.690 174.700 0.019 0.000 1.166 648 T CA -1.035 61.044 62.100 -0.035 0.000 1.007 648 T CB 1.751 70.686 68.868 0.112 0.000 1.253 648 T HN 0.488 nan 8.240 nan 0.000 0.511 649 A N 0.980 123.815 122.820 0.024 0.000 3.264 649 A HA 0.399 4.716 4.320 -0.004 0.000 0.299 649 A C -0.388 177.278 177.584 0.138 0.000 1.272 649 A CA -0.678 51.414 52.037 0.092 0.000 1.030 649 A CB -0.666 18.419 19.000 0.143 0.000 1.102 649 A HN 0.704 nan 8.150 nan 0.000 0.615 650 W N 2.172 123.443 121.300 -0.047 0.000 2.497 650 W HA 0.426 5.083 4.660 -0.004 0.000 0.354 650 W C -0.794 175.685 176.519 -0.067 0.000 1.111 650 W CA -1.035 56.275 57.345 -0.058 0.000 1.510 650 W CB -0.217 29.198 29.460 -0.073 0.000 1.466 650 W HN 0.444 nan 8.180 nan 0.000 0.409 651 E N 2.948 123.323 120.200 0.292 0.000 2.316 651 E HA -0.014 4.334 4.350 -0.004 0.000 0.275 651 E C -0.503 176.158 176.600 0.102 0.000 1.029 651 E CA 0.322 56.790 56.400 0.113 0.000 0.871 651 E CB 0.660 30.343 29.700 -0.029 0.000 1.022 651 E HN 0.094 nan 8.360 nan 0.000 0.418 652 D N 1.792 122.197 120.400 0.009 0.000 2.443 652 D HA 0.085 4.723 4.640 -0.004 0.000 0.221 652 D C 0.324 176.635 176.300 0.018 0.000 1.097 652 D CA -0.188 53.802 54.000 -0.017 0.000 0.865 652 D CB 0.252 40.979 40.800 -0.122 0.000 1.034 652 D HN 0.534 nan 8.370 nan 0.000 0.511 653 H N 2.354 121.391 119.070 -0.056 0.000 2.489 653 H HA 0.010 4.563 4.556 -0.004 0.000 0.293 653 H C 1.284 176.549 175.328 -0.105 0.000 1.066 653 H CA 1.011 56.981 56.048 -0.129 0.000 1.305 653 H CB 0.791 30.406 29.762 -0.245 0.000 1.386 653 H HN 0.653 nan 8.280 nan 0.000 0.551 654 G N 0.544 109.387 108.800 0.072 0.000 2.318 654 G HA2 -0.244 3.714 3.960 -0.004 0.000 0.172 654 G HA3 -0.244 3.714 3.960 -0.004 0.000 0.172 654 G C 1.271 176.167 174.900 -0.008 0.000 1.002 654 G CA 0.331 45.455 45.100 0.041 0.000 0.697 654 G HN 0.417 nan 8.290 nan 0.000 0.483 655 Q N 1.449 121.236 119.800 -0.021 0.000 2.291 655 Q HA 0.253 4.591 4.340 -0.004 0.000 0.206 655 Q C 1.482 177.428 176.000 -0.090 0.000 0.976 655 Q CA 2.169 57.947 55.803 -0.041 0.000 0.875 655 Q CB -0.330 28.392 28.738 -0.025 0.000 0.927 655 Q HN 1.908 nan 8.270 nan 0.000 0.450 656 G N 0.196 108.895 108.800 -0.169 0.000 2.338 656 G HA2 -0.005 3.952 3.960 -0.004 0.000 0.115 656 G HA3 -0.005 3.952 3.960 -0.004 0.000 0.115 656 G C 0.648 175.221 174.900 -0.544 0.000 1.053 656 G CA 0.318 45.239 45.100 -0.297 0.000 0.733 656 G HN 0.601 nan 8.290 nan 0.000 0.482 657 A N 0.729 123.127 122.820 -0.704 0.000 1.940 657 A HA -0.022 4.295 4.320 -0.004 0.000 0.219 657 A C 2.287 179.063 177.584 -1.345 0.000 1.176 657 A CA 2.519 53.709 52.037 -1.411 0.000 0.631 657 A CB -0.315 18.035 19.000 -1.083 0.000 0.814 657 A HN 0.880 nan 8.150 nan 0.000 0.446 658 D N 0.085 119.829 120.400 -1.094 0.000 2.097 658 D HA -0.155 4.482 4.640 -0.004 0.000 0.197 658 D C 1.678 177.563 176.300 -0.690 0.000 0.984 658 D CA 1.460 54.735 54.000 -1.208 0.000 0.826 658 D CB -0.720 39.152 40.800 -1.547 0.000 0.973 658 D HN 0.386 nan 8.370 nan 0.000 0.460 659 I N 1.269 121.518 120.570 -0.536 0.000 2.439 659 I HA 0.091 4.258 4.170 -0.004 0.000 0.251 659 I C 2.252 178.185 176.117 -0.307 0.000 1.139 659 I CA 1.168 62.275 61.300 -0.323 0.000 1.438 659 I CB -0.507 37.346 38.000 -0.244 0.000 1.085 659 I HN 0.090 nan 8.210 nan 0.000 0.427 660 G N -0.368 108.138 108.800 -0.490 0.000 2.421 660 G HA2 -0.256 3.701 3.960 -0.004 0.000 0.216 660 G HA3 -0.256 3.701 3.960 -0.004 0.000 0.216 660 G C 1.737 176.534 174.900 -0.172 0.000 1.171 660 G CA 1.049 45.927 45.100 -0.370 0.000 0.775 660 G HN 0.488 nan 8.290 nan 0.000 0.543 661 C N -0.266 118.781 119.300 -0.423 0.000 2.442 661 C HA -0.018 4.439 4.460 -0.004 0.000 0.279 661 C C 3.095 178.107 174.990 0.036 0.000 1.237 661 C CA 0.874 59.866 59.018 -0.043 0.000 1.722 661 C CB -0.936 26.734 27.740 -0.117 0.000 2.056 661 C HN 0.281 nan 8.230 nan 0.000 0.469 662 V N 1.084 120.975 119.914 -0.038 0.000 2.343 662 V HA -0.096 4.022 4.120 -0.004 0.000 0.247 662 V C 2.598 178.724 176.094 0.053 0.000 1.051 662 V CA 2.398 64.712 62.300 0.022 0.000 1.036 662 V CB -1.457 30.375 31.823 0.014 0.000 0.654 662 V HN 0.699 nan 8.190 nan 0.000 0.451 663 G N -0.590 108.233 108.800 0.038 0.000 2.421 663 G HA2 -0.230 3.727 3.960 -0.004 0.000 0.216 663 G HA3 -0.230 3.727 3.960 -0.004 0.000 0.216 663 G C 1.711 176.829 174.900 0.363 0.000 1.171 663 G CA 1.518 46.683 45.100 0.109 0.000 0.775 663 G HN 0.464 nan 8.290 nan 0.000 0.543 664 T N 1.646 116.459 114.554 0.431 0.000 2.737 664 T HA 0.056 4.403 4.350 -0.004 0.000 0.265 664 T C 2.829 177.722 174.700 0.321 0.000 1.038 664 T CA 1.483 63.910 62.100 0.543 0.000 1.144 664 T CB -0.383 68.799 68.868 0.524 0.000 0.866 664 T HN 0.360 nan 8.240 nan 0.000 0.434 665 A N 1.557 124.514 122.820 0.228 0.000 1.902 665 A HA -0.214 4.104 4.320 -0.004 0.000 0.217 665 A C 2.177 179.819 177.584 0.097 0.000 1.181 665 A CA 1.822 53.948 52.037 0.147 0.000 0.623 665 A CB -1.000 18.071 19.000 0.118 0.000 0.818 665 A HN 0.655 nan 8.150 nan 0.000 0.443 666 H N -0.294 118.784 119.070 0.013 0.000 2.353 666 H HA -0.165 4.388 4.556 -0.004 0.000 0.300 666 H C 2.058 177.330 175.328 -0.093 0.000 1.090 666 H CA 2.177 58.195 56.048 -0.050 0.000 1.327 666 H CB -0.081 29.627 29.762 -0.090 0.000 1.383 666 H HN 0.528 nan 8.280 nan 0.000 0.508 667 E N 0.694 120.887 120.200 -0.012 0.000 2.077 667 E HA -0.086 4.261 4.350 -0.004 0.000 0.193 667 E C 2.283 178.672 176.600 -0.352 0.000 0.989 667 E CA 1.514 57.710 56.400 -0.341 0.000 0.800 667 E CB -0.460 28.715 29.700 -0.876 0.000 0.746 667 E HN 0.498 nan 8.360 nan 0.000 0.452 668 A N -0.164 122.600 122.820 -0.093 0.000 2.067 668 A HA -0.016 4.302 4.320 -0.004 0.000 0.219 668 A C 1.966 179.522 177.584 -0.046 0.000 1.158 668 A CA 0.935 53.014 52.037 0.071 0.000 0.661 668 A CB -0.299 18.813 19.000 0.187 0.000 0.801 668 A HN 0.326 nan 8.150 nan 0.000 0.452 669 L N -1.451 119.693 121.223 -0.131 0.000 2.607 669 L HA 0.131 4.469 4.340 -0.004 0.000 0.228 669 L C 2.266 178.978 176.870 -0.264 0.000 1.123 669 L CA -0.143 54.588 54.840 -0.182 0.000 0.890 669 L CB -0.176 41.784 42.059 -0.165 0.000 1.103 669 L HN 0.299 nan 8.230 nan 0.000 0.468 670 R N 0.884 121.208 120.500 -0.294 0.000 2.119 670 R HA -0.201 4.136 4.340 -0.004 0.000 0.246 670 R C -0.316 175.881 176.300 -0.171 0.000 1.146 670 R CA 1.813 57.745 56.100 -0.280 0.000 0.962 670 R CB -1.468 28.690 30.300 -0.236 0.000 0.863 670 R HN 0.327 nan 8.270 nan 0.000 0.442 671 P HA -0.159 nan 4.420 nan 0.000 0.218 671 P C 1.125 178.378 177.300 -0.078 0.000 1.148 671 P CA 1.330 64.417 63.100 -0.022 0.000 0.822 671 P CB -0.001 31.737 31.700 0.064 0.000 0.784 672 M N -1.749 117.632 119.600 -0.365 0.000 2.561 672 M HA 0.225 4.702 4.480 -0.004 0.000 0.238 672 M C 0.425 176.579 176.300 -0.245 0.000 1.131 672 M CA 0.487 55.438 55.300 -0.581 0.000 1.046 672 M CB -0.386 31.747 32.600 -0.779 0.000 1.532 672 M HN -0.008 nan 8.290 nan 0.000 0.497 673 G N 1.751 110.446 108.800 -0.175 0.000 2.372 673 G HA2 -0.193 3.764 3.960 -0.004 0.000 0.297 673 G HA3 -0.193 3.764 3.960 -0.004 0.000 0.297 673 G C -0.439 174.397 174.900 -0.107 0.000 1.005 673 G CA 0.106 45.136 45.100 -0.116 0.000 1.173 673 G HN 0.347 nan 8.290 nan 0.000 0.511 674 V N 0.946 120.763 119.914 -0.161 0.000 2.364 674 V HA 0.664 4.782 4.120 -0.004 0.000 0.272 674 V C 1.066 177.155 176.094 -0.008 0.000 1.036 674 V CA -0.396 61.848 62.300 -0.093 0.000 0.880 674 V CB 1.108 32.867 31.823 -0.107 0.000 0.991 674 V HN 1.196 nan 8.190 nan 0.000 0.460 675 A N 8.459 131.307 122.820 0.047 0.000 2.498 675 A HA 0.390 4.708 4.320 -0.004 0.000 0.239 675 A C -0.713 176.938 177.584 0.112 0.000 1.068 675 A CA -0.844 51.251 52.037 0.098 0.000 0.766 675 A CB 0.025 19.064 19.000 0.064 0.000 1.003 675 A HN 0.701 nan 8.150 nan 0.000 0.497 676 P HA -0.209 nan 4.420 nan 0.000 0.218 676 P C 1.037 178.360 177.300 0.038 0.000 1.148 676 P CA 1.537 64.600 63.100 -0.061 0.000 0.822 676 P CB 0.049 31.404 31.700 -0.575 0.000 0.784 677 E N 1.240 121.493 120.200 0.088 0.000 2.409 677 E HA -0.154 4.194 4.350 -0.004 0.000 0.198 677 E C 1.194 177.836 176.600 0.070 0.000 1.024 677 E CA 0.951 57.419 56.400 0.114 0.000 0.861 677 E CB -0.537 29.233 29.700 0.118 0.000 0.788 677 E HN 0.309 nan 8.360 nan 0.000 0.521 678 K N 0.602 121.035 120.400 0.055 0.000 2.404 678 K HA 0.290 4.607 4.320 -0.004 0.000 0.194 678 K C 0.332 176.949 176.600 0.027 0.000 1.023 678 K CA -0.014 56.294 56.287 0.034 0.000 1.094 678 K CB 0.490 33.006 32.500 0.028 0.000 0.841 678 K HN 0.141 nan 8.250 nan 0.000 0.523 679 I N 2.446 123.041 120.570 0.042 0.000 2.339 679 I HA 0.160 4.328 4.170 -0.004 0.000 0.290 679 I C -0.250 175.889 176.117 0.037 0.000 0.994 679 I CA -0.829 60.494 61.300 0.038 0.000 1.191 679 I CB 1.032 39.067 38.000 0.057 0.000 1.343 679 I HN -0.200 nan 8.210 nan 0.000 0.458 680 K N 6.653 127.047 120.400 -0.010 0.000 2.156 680 K HA 0.536 4.853 4.320 -0.004 0.000 0.254 680 K C -0.575 175.980 176.600 -0.075 0.000 0.950 680 K CA -0.579 55.663 56.287 -0.077 0.000 0.849 680 K CB 2.099 34.506 32.500 -0.154 0.000 1.100 680 K HN 0.449 nan 8.250 nan 0.000 0.434 681 F N -1.128 118.722 119.950 -0.168 0.000 2.509 681 F HA 0.693 5.218 4.527 -0.004 0.000 0.334 681 F C 0.183 175.834 175.800 -0.248 0.000 1.060 681 F CA -0.937 56.928 58.000 -0.226 0.000 0.997 681 F CB 1.010 39.824 39.000 -0.312 0.000 1.271 681 F HN 0.402 nan 8.300 nan 0.000 0.488 682 T N -1.761 112.738 114.554 -0.092 0.000 2.841 682 T HA 0.400 4.748 4.350 -0.004 0.000 0.283 682 T C -1.225 173.483 174.700 0.013 0.000 1.000 682 T CA -0.682 61.352 62.100 -0.110 0.000 0.977 682 T CB 0.564 69.444 68.868 0.019 0.000 0.979 682 T HN 0.660 nan 8.240 nan 0.000 0.446 683 W N 2.796 124.171 121.300 0.125 0.000 2.223 683 W HA 0.353 5.011 4.660 -0.004 0.000 0.334 683 W C -2.249 174.322 176.519 0.086 0.000 1.334 683 W CA -1.585 55.845 57.345 0.142 0.000 1.246 683 W CB -0.314 29.210 29.460 0.107 0.000 1.184 683 W HN 0.479 nan 8.180 nan 0.000 0.563 684 P HA -0.065 nan 4.420 nan 0.000 0.264 684 P C -0.403 176.945 177.300 0.080 0.000 1.193 684 P CA 0.364 63.546 63.100 0.138 0.000 0.763 684 P CB 0.495 32.251 31.700 0.094 0.000 0.810 685 N N 1.633 120.351 118.700 0.029 0.000 2.503 685 N HA 0.060 4.798 4.740 -0.004 0.000 0.287 685 N C 0.638 176.092 175.510 -0.093 0.000 1.096 685 N CA -0.283 52.752 53.050 -0.026 0.000 0.936 685 N CB 1.118 39.649 38.487 0.073 0.000 1.570 685 N HN 0.232 nan 8.380 nan 0.000 0.504 686 T N 0.305 114.702 114.554 -0.260 0.000 2.929 686 T HA -0.020 4.328 4.350 -0.004 0.000 0.271 686 T C 1.492 176.146 174.700 -0.076 0.000 1.085 686 T CA 1.256 63.104 62.100 -0.420 0.000 1.125 686 T CB 0.055 68.621 68.868 -0.503 0.000 0.874 686 T HN 0.434 nan 8.240 nan 0.000 0.494 687 A N 1.692 124.499 122.820 -0.021 0.000 1.984 687 A HA 0.203 4.520 4.320 -0.004 0.000 0.214 687 A C 2.436 180.117 177.584 0.161 0.000 1.173 687 A CA 1.221 53.297 52.037 0.063 0.000 0.673 687 A CB -0.379 18.644 19.000 0.039 0.000 0.830 687 A HN 0.661 nan 8.150 nan 0.000 0.453 688 T N -3.335 111.324 114.554 0.175 0.000 3.040 688 T HA 0.248 4.596 4.350 -0.004 0.000 0.266 688 T C 0.515 175.376 174.700 0.269 0.000 1.005 688 T CA 0.659 62.912 62.100 0.255 0.000 0.906 688 T CB -0.351 68.652 68.868 0.225 0.000 1.082 688 T HN 0.475 nan 8.240 nan 0.000 0.531 689 T N 0.691 115.314 114.554 0.116 0.000 2.908 689 T HA 0.708 5.055 4.350 -0.004 0.000 0.290 689 T C -3.248 171.301 174.700 -0.251 0.000 1.034 689 T CA -2.229 59.769 62.100 -0.171 0.000 1.010 689 T CB 2.260 71.106 68.868 -0.037 0.000 1.068 689 T HN -0.115 nan 8.240 nan 0.000 0.481 690 P HA 0.206 nan 4.420 nan 0.000 0.274 690 P C -0.455 176.639 177.300 -0.342 0.000 1.246 690 P CA -0.536 62.285 63.100 -0.465 0.000 0.795 690 P CB 0.410 31.653 31.700 -0.763 0.000 1.006 691 N N 0.528 118.941 118.700 -0.479 0.000 2.819 691 N HA 0.016 4.753 4.740 -0.004 0.000 0.284 691 N C 0.532 175.847 175.510 -0.325 0.000 1.196 691 N CA 0.297 52.913 53.050 -0.724 0.000 1.114 691 N CB -0.853 37.238 38.487 -0.661 0.000 1.437 691 N HN 0.105 nan 8.380 nan 0.000 0.518 692 S N 0.653 116.218 115.700 -0.226 0.000 2.515 692 S HA 0.190 4.657 4.470 -0.004 0.000 0.231 692 S C 0.978 175.496 174.600 -0.137 0.000 0.987 692 S CA 0.333 58.441 58.200 -0.153 0.000 0.936 692 S CB -0.586 62.544 63.200 -0.117 0.000 0.766 692 S HN 0.860 nan 8.310 nan 0.000 0.528 693 G N 1.972 110.700 108.800 -0.121 0.000 2.712 693 G HA2 -0.100 3.857 3.960 -0.004 0.000 0.683 693 G HA3 -0.100 3.857 3.960 -0.004 0.000 0.683 693 G C -3.408 171.445 174.900 -0.078 0.000 1.320 693 G CA -0.912 44.133 45.100 -0.093 0.000 0.847 693 G HN 0.145 nan 8.290 nan 0.000 0.553 694 P HA 0.427 nan 4.420 nan 0.000 0.276 694 P C -0.040 177.259 177.300 -0.002 0.000 1.244 694 P CA -0.252 62.793 63.100 -0.091 0.000 0.801 694 P CB 1.276 32.870 31.700 -0.177 0.000 1.006 695 S N 0.668 116.395 115.700 0.045 0.000 4.139 695 S HA 0.460 4.928 4.470 -0.004 0.000 0.215 695 S C 0.589 175.345 174.600 0.260 0.000 1.390 695 S CA -0.241 58.056 58.200 0.161 0.000 0.885 695 S CB -0.938 62.432 63.200 0.285 0.000 1.560 695 S HN 0.702 nan 8.310 nan 0.000 0.449 696 G N -0.501 108.406 108.800 0.178 0.000 2.642 696 G HA2 0.570 4.528 3.960 -0.004 0.000 0.293 696 G HA3 0.570 4.528 3.960 -0.004 0.000 0.293 696 G C 0.446 175.349 174.900 0.004 0.000 1.341 696 G CA -0.259 44.905 45.100 0.107 0.000 0.916 696 G HN 0.665 nan 8.290 nan 0.000 0.474 697 G N -0.145 108.623 108.800 -0.054 0.000 2.249 697 G HA2 -0.021 3.936 3.960 -0.004 0.000 0.273 697 G HA3 -0.021 3.936 3.960 -0.004 0.000 0.273 697 G C 0.811 175.701 174.900 -0.018 0.000 1.036 697 G CA 0.926 46.032 45.100 0.011 0.000 0.824 697 G HN 1.953 nan 8.290 nan 0.000 0.504 698 S N -1.869 113.829 115.700 -0.003 0.000 3.491 698 S HA -0.316 4.152 4.470 -0.004 0.000 0.371 698 S C 1.774 176.335 174.600 -0.066 0.000 0.980 698 S CA 1.878 60.063 58.200 -0.025 0.000 1.204 698 S CB -0.896 62.297 63.200 -0.012 0.000 0.915 698 S HN 1.410 nan 8.310 nan 0.000 0.482 699 R N -0.240 120.214 120.500 -0.076 0.000 2.254 699 R HA 0.183 4.520 4.340 -0.004 0.000 0.193 699 R C 1.707 177.879 176.300 -0.214 0.000 0.929 699 R CA -0.122 55.911 56.100 -0.111 0.000 1.038 699 R CB -0.087 30.172 30.300 -0.069 0.000 1.009 699 R HN 0.348 nan 8.270 nan 0.000 0.512 700 Q N 1.304 120.917 119.800 -0.312 0.000 2.046 700 Q HA -0.184 4.153 4.340 -0.004 0.000 0.200 700 Q C 1.915 177.410 176.000 -0.842 0.000 0.975 700 Q CA 1.701 57.050 55.803 -0.756 0.000 0.836 700 Q CB -0.186 27.805 28.738 -1.245 0.000 0.896 700 Q HN 0.308 nan 8.270 nan 0.000 0.428 701 Q N 0.715 120.271 119.800 -0.407 0.000 2.152 701 Q HA -0.124 4.214 4.340 -0.004 0.000 0.206 701 Q C 1.975 177.871 176.000 -0.173 0.000 0.985 701 Q CA 1.547 57.267 55.803 -0.139 0.000 0.863 701 Q CB -0.186 28.602 28.738 0.084 0.000 0.904 701 Q HN 0.194 nan 8.270 nan 0.000 0.422 702 V N -0.387 119.407 119.914 -0.199 0.000 2.273 702 V HA -0.203 3.914 4.120 -0.004 0.000 0.242 702 V C 2.249 178.149 176.094 -0.324 0.000 1.035 702 V CA 1.743 63.901 62.300 -0.237 0.000 1.013 702 V CB -0.523 31.209 31.823 -0.153 0.000 0.652 702 V HN 0.376 nan 8.190 nan 0.000 0.452 703 M N -0.034 119.437 119.600 -0.214 0.000 2.064 703 M HA -0.100 4.378 4.480 -0.004 0.000 0.260 703 M C 2.289 178.492 176.300 -0.161 0.000 1.073 703 M CA 2.048 57.299 55.300 -0.081 0.000 1.124 703 M CB -1.732 30.845 32.600 -0.037 0.000 1.326 703 M HN 0.347 nan 8.290 nan 0.000 0.410 704 T N 0.413 114.766 114.554 -0.334 0.000 2.942 704 T HA 0.018 4.365 4.350 -0.004 0.000 0.265 704 T C 1.867 176.418 174.700 -0.248 0.000 1.062 704 T CA 1.280 63.180 62.100 -0.334 0.000 1.139 704 T CB -0.608 67.906 68.868 -0.589 0.000 0.883 704 T HN 0.590 nan 8.240 nan 0.000 0.468 705 G N 2.248 110.866 108.800 -0.303 0.000 2.446 705 G HA2 -0.286 3.672 3.960 -0.004 0.000 0.217 705 G HA3 -0.286 3.672 3.960 -0.004 0.000 0.217 705 G C 1.688 176.470 174.900 -0.196 0.000 1.168 705 G CA 0.701 45.740 45.100 -0.101 0.000 0.771 705 G HN 0.372 nan 8.290 nan 0.000 0.551 706 N N 1.193 119.655 118.700 -0.396 0.000 2.069 706 N HA -0.105 4.633 4.740 -0.004 0.000 0.191 706 N C 2.576 177.929 175.510 -0.261 0.000 1.031 706 N CA 1.412 54.110 53.050 -0.587 0.000 0.852 706 N CB -0.559 37.121 38.487 -1.344 0.000 1.018 706 N HN 0.298 nan 8.380 nan 0.000 0.423 707 A N 1.157 123.922 122.820 -0.092 0.000 1.940 707 A HA -0.087 4.230 4.320 -0.004 0.000 0.219 707 A C 2.364 179.965 177.584 0.029 0.000 1.176 707 A CA 0.963 53.020 52.037 0.034 0.000 0.631 707 A CB -0.643 18.381 19.000 0.040 0.000 0.814 707 A HN 0.250 nan 8.150 nan 0.000 0.446 708 I N -1.080 119.500 120.570 0.016 0.000 2.252 708 I HA -0.232 3.935 4.170 -0.004 0.000 0.245 708 I C 2.718 178.869 176.117 0.057 0.000 1.102 708 I CA 1.575 62.919 61.300 0.073 0.000 1.385 708 I CB -0.282 37.799 38.000 0.136 0.000 1.064 708 I HN 0.412 nan 8.210 nan 0.000 0.414 709 R N 0.891 121.382 120.500 -0.016 0.000 2.081 709 R HA -0.139 4.198 4.340 -0.004 0.000 0.235 709 R C 2.252 178.536 176.300 -0.026 0.000 1.131 709 R CA 1.566 57.636 56.100 -0.050 0.000 0.960 709 R CB -0.210 29.911 30.300 -0.298 0.000 0.856 709 R HN 0.141 nan 8.270 nan 0.000 0.436 710 V N 1.392 121.291 119.914 -0.024 0.000 2.295 710 V HA -0.221 3.896 4.120 -0.004 0.000 0.246 710 V C 2.593 178.727 176.094 0.066 0.000 1.049 710 V CA 1.924 64.244 62.300 0.032 0.000 1.024 710 V CB -0.818 31.054 31.823 0.082 0.000 0.648 710 V HN 0.571 nan 8.190 nan 0.000 0.447 711 A N -1.045 121.828 122.820 0.087 0.000 1.908 711 A HA -0.284 4.033 4.320 -0.004 0.000 0.218 711 A C 2.346 179.993 177.584 0.104 0.000 1.181 711 A CA 2.406 54.515 52.037 0.120 0.000 0.627 711 A CB -1.149 17.946 19.000 0.159 0.000 0.818 711 A HN 0.599 nan 8.150 nan 0.000 0.445 712 C N -1.027 118.324 119.300 0.085 0.000 2.457 712 C HA -0.032 4.425 4.460 -0.004 0.000 0.278 712 C C 2.632 177.653 174.990 0.052 0.000 1.309 712 C CA 0.989 60.048 59.018 0.068 0.000 1.735 712 C CB -1.245 26.533 27.740 0.063 0.000 1.992 712 C HN 0.689 nan 8.230 nan 0.000 0.493 713 E N 1.113 121.344 120.200 0.052 0.000 2.085 713 E HA -0.190 4.158 4.350 -0.004 0.000 0.194 713 E C 1.738 178.375 176.600 0.062 0.000 0.994 713 E CA 1.219 57.649 56.400 0.050 0.000 0.801 713 E CB -0.154 29.570 29.700 0.038 0.000 0.743 713 E HN 0.603 nan 8.360 nan 0.000 0.453 714 N N 0.601 119.341 118.700 0.067 0.000 2.244 714 N HA -0.127 4.611 4.740 -0.004 0.000 0.183 714 N C 1.758 177.315 175.510 0.079 0.000 1.016 714 N CA 0.508 53.601 53.050 0.072 0.000 0.866 714 N CB -0.215 38.316 38.487 0.073 0.000 0.980 714 N HN 0.099 nan 8.380 nan 0.000 0.430 715 L N 0.928 122.200 121.223 0.081 0.000 2.093 715 L HA 0.017 4.354 4.340 -0.004 0.000 0.208 715 L C 1.863 178.786 176.870 0.088 0.000 1.085 715 L CA 1.150 56.039 54.840 0.083 0.000 0.755 715 L CB -0.450 41.656 42.059 0.079 0.000 0.904 715 L HN 0.080 nan 8.230 nan 0.000 0.435 716 L N -0.660 120.610 121.223 0.079 0.000 2.017 716 L HA -0.244 4.094 4.340 -0.004 0.000 0.208 716 L C 2.620 179.620 176.870 0.218 0.000 1.073 716 L CA 1.602 56.518 54.840 0.127 0.000 0.745 716 L CB -0.660 41.462 42.059 0.104 0.000 0.894 716 L HN 0.228 nan 8.230 nan 0.000 0.432 717 K N 0.086 120.573 120.400 0.145 0.000 2.063 717 K HA -0.181 4.137 4.320 -0.004 0.000 0.208 717 K C 2.166 178.841 176.600 0.125 0.000 1.048 717 K CA 1.510 57.869 56.287 0.120 0.000 0.928 717 K CB -0.330 32.219 32.500 0.081 0.000 0.713 717 K HN 0.305 nan 8.250 nan 0.000 0.442 718 A N 0.613 123.504 122.820 0.118 0.000 2.015 718 A HA -0.142 4.175 4.320 -0.004 0.000 0.219 718 A C 2.166 179.850 177.584 0.167 0.000 1.163 718 A CA 1.234 53.337 52.037 0.110 0.000 0.646 718 A CB -0.516 18.532 19.000 0.081 0.000 0.806 718 A HN 0.404 nan 8.150 nan 0.000 0.448 719 C N -0.659 118.776 119.300 0.225 0.000 2.735 719 C HA 0.197 4.654 4.460 -0.004 0.000 0.271 719 C C 1.038 176.260 174.990 0.388 0.000 1.281 719 C CA -0.650 58.565 59.018 0.328 0.000 1.719 719 C CB -1.056 26.860 27.740 0.293 0.000 2.024 719 C HN 0.586 nan 8.230 nan 0.000 0.566 720 E N 2.359 122.724 120.200 0.274 0.000 2.480 720 E HA -0.029 4.318 4.350 -0.004 0.000 0.258 720 E C 0.193 176.736 176.600 -0.096 0.000 0.984 720 E CA 0.537 56.934 56.400 -0.004 0.000 0.930 720 E CB 0.388 30.086 29.700 -0.003 0.000 0.936 720 E HN 0.381 nan 8.360 nan 0.000 0.466 721 K N 5.002 125.155 120.400 -0.412 0.000 2.205 721 K HA 0.242 4.559 4.320 -0.004 0.000 0.279 721 K C -2.374 174.048 176.600 -0.297 0.000 1.027 721 K CA -2.078 53.850 56.287 -0.598 0.000 0.932 721 K CB 0.830 32.868 32.500 -0.769 0.000 1.032 721 K HN 0.253 nan 8.250 nan 0.000 0.466 722 P HA 0.032 nan 4.420 nan 0.000 0.267 722 P C 0.137 177.366 177.300 -0.118 0.000 1.205 722 P CA 0.474 63.521 63.100 -0.088 0.000 0.765 722 P CB 0.670 32.360 31.700 -0.015 0.000 0.828 723 G N 1.694 110.432 108.800 -0.104 0.000 2.141 723 G HA2 0.127 4.085 3.960 -0.004 0.000 0.242 723 G HA3 0.127 4.085 3.960 -0.004 0.000 0.242 723 G C 0.408 175.230 174.900 -0.129 0.000 0.982 723 G CA 0.132 45.173 45.100 -0.098 0.000 0.662 723 G HN 1.078 nan 8.290 nan 0.000 0.527 724 G N -1.846 106.844 108.800 -0.182 0.000 2.712 724 G HA2 0.557 4.514 3.960 -0.004 0.000 0.686 724 G HA3 0.557 4.514 3.960 -0.004 0.000 0.686 724 G C 1.073 175.792 174.900 -0.301 0.000 1.181 724 G CA 0.847 45.812 45.100 -0.225 0.000 0.762 724 G HN 2.669 nan 8.290 nan 0.000 0.641 725 G N -0.064 108.477 108.800 -0.430 0.000 2.610 725 G HA2 0.399 4.356 3.960 -0.004 0.000 0.304 725 G HA3 0.399 4.356 3.960 -0.004 0.000 0.304 725 G C -0.745 173.694 174.900 -0.767 0.000 1.309 725 G CA 0.227 45.059 45.100 -0.446 0.000 0.906 725 G HN 1.985 nan 8.290 nan 0.000 0.521 726 Y N -1.326 118.890 120.300 -0.139 0.000 2.492 726 Y HA 0.631 5.179 4.550 -0.004 0.000 0.346 726 Y C 0.132 175.964 175.900 -0.113 0.000 0.997 726 Y CA -0.886 57.145 58.100 -0.115 0.000 1.025 726 Y CB 1.556 40.002 38.460 -0.024 0.000 1.263 726 Y HN 0.662 nan 8.280 nan 0.000 0.454 727 Y N 0.904 121.298 120.300 0.157 0.000 2.357 727 Y HA 0.258 4.806 4.550 -0.004 0.000 0.340 727 Y C 1.188 177.154 175.900 0.109 0.000 1.260 727 Y CA -0.356 57.802 58.100 0.096 0.000 1.425 727 Y CB 0.645 39.140 38.460 0.058 0.000 1.326 727 Y HN 0.631 nan 8.280 nan 0.000 0.580 728 T N -1.772 112.951 114.554 0.283 0.000 2.862 728 T HA 0.107 4.454 4.350 -0.004 0.000 0.276 728 T C 0.785 175.601 174.700 0.193 0.000 0.974 728 T CA -0.457 61.767 62.100 0.207 0.000 0.966 728 T CB 0.420 69.390 68.868 0.170 0.000 1.072 728 T HN 0.670 nan 8.240 nan 0.000 0.538 729 Y N 0.748 121.094 120.300 0.076 0.000 2.114 729 Y HA -0.151 4.397 4.550 -0.004 0.000 0.284 729 Y C 2.144 178.065 175.900 0.035 0.000 1.143 729 Y CA 2.158 60.289 58.100 0.052 0.000 1.135 729 Y CB -0.538 37.947 38.460 0.043 0.000 0.980 729 Y HN 0.672 nan 8.280 nan 0.000 0.499 730 D N 0.207 120.712 120.400 0.175 0.000 2.123 730 D HA -0.178 4.460 4.640 -0.004 0.000 0.196 730 D C 1.978 178.252 176.300 -0.042 0.000 0.992 730 D CA 1.737 55.780 54.000 0.071 0.000 0.833 730 D CB -0.197 40.684 40.800 0.135 0.000 0.954 730 D HN 0.593 nan 8.370 nan 0.000 0.455 731 E N 0.102 120.300 120.200 -0.004 0.000 2.072 731 E HA -0.086 4.261 4.350 -0.004 0.000 0.191 731 E C 2.382 178.868 176.600 -0.191 0.000 0.985 731 E CA 0.365 56.740 56.400 -0.042 0.000 0.801 731 E CB 0.007 29.764 29.700 0.096 0.000 0.750 731 E HN 0.234 nan 8.360 nan 0.000 0.452 732 L N 0.746 121.843 121.223 -0.209 0.000 2.056 732 L HA -0.170 4.167 4.340 -0.004 0.000 0.207 732 L C 2.488 179.190 176.870 -0.281 0.000 1.078 732 L CA 0.925 55.600 54.840 -0.275 0.000 0.749 732 L CB -0.220 41.722 42.059 -0.195 0.000 0.901 732 L HN 0.015 nan 8.230 nan 0.000 0.433 733 K N -0.001 120.187 120.400 -0.353 0.000 2.103 733 K HA -0.047 4.270 4.320 -0.004 0.000 0.204 733 K C 2.127 178.616 176.600 -0.186 0.000 1.052 733 K CA 1.256 57.353 56.287 -0.317 0.000 0.945 733 K CB -0.168 32.060 32.500 -0.453 0.000 0.722 733 K HN 0.242 nan 8.250 nan 0.000 0.443 734 A N 1.099 123.825 122.820 -0.156 0.000 1.972 734 A HA -0.076 4.242 4.320 -0.004 0.000 0.219 734 A C 2.093 179.612 177.584 -0.109 0.000 1.169 734 A CA 1.847 53.823 52.037 -0.102 0.000 0.635 734 A CB -0.332 18.624 19.000 -0.073 0.000 0.810 734 A HN 0.279 nan 8.150 nan 0.000 0.446 735 A N -1.333 121.397 122.820 -0.151 0.000 2.278 735 A HA 0.315 4.633 4.320 -0.004 0.000 0.212 735 A C 0.747 178.253 177.584 -0.131 0.000 1.213 735 A CA 0.985 52.931 52.037 -0.152 0.000 0.840 735 A CB -0.487 18.376 19.000 -0.229 0.000 0.866 735 A HN 0.555 nan 8.150 nan 0.000 0.489 736 D N -1.063 119.262 120.400 -0.125 0.000 2.772 736 D HA -0.157 4.481 4.640 -0.004 0.000 0.233 736 D C 0.010 176.246 176.300 -0.107 0.000 1.143 736 D CA 1.286 55.223 54.000 -0.104 0.000 0.700 736 D CB -1.480 39.275 40.800 -0.075 0.000 1.076 736 D HN 0.609 nan 8.370 nan 0.000 0.430 737 K N 0.654 120.972 120.400 -0.136 0.000 2.118 737 K HA 0.485 4.802 4.320 -0.004 0.000 0.267 737 K C -2.118 174.420 176.600 -0.103 0.000 0.991 737 K CA -1.590 54.626 56.287 -0.119 0.000 0.916 737 K CB 0.961 33.373 32.500 -0.147 0.000 1.041 737 K HN 0.054 nan 8.250 nan 0.000 0.455 738 P HA 0.007 nan 4.420 nan 0.000 0.271 738 P C -0.151 177.130 177.300 -0.031 0.000 1.218 738 P CA -0.070 63.000 63.100 -0.051 0.000 0.780 738 P CB 0.967 32.645 31.700 -0.038 0.000 0.901 739 T N -2.187 112.362 114.554 -0.008 0.000 3.016 739 T HA 0.177 4.524 4.350 -0.004 0.000 0.271 739 T C 0.423 175.175 174.700 0.087 0.000 0.968 739 T CA -0.129 62.001 62.100 0.050 0.000 0.891 739 T CB 0.240 69.158 68.868 0.083 0.000 1.149 739 T HN 0.323 nan 8.240 nan 0.000 0.524 740 K N 2.029 122.455 120.400 0.044 0.000 2.425 740 K HA 0.533 4.851 4.320 -0.004 0.000 0.259 740 K C -1.275 175.326 176.600 0.003 0.000 0.978 740 K CA -0.883 55.429 56.287 0.041 0.000 0.883 740 K CB 0.643 33.122 32.500 -0.034 0.000 1.110 740 K HN 0.140 nan 8.250 nan 0.000 0.436 741 I N 3.641 124.255 120.570 0.072 0.000 2.433 741 I HA 0.198 4.366 4.170 -0.004 0.000 0.292 741 I C 0.597 176.794 176.117 0.133 0.000 1.001 741 I CA -0.738 60.604 61.300 0.069 0.000 1.119 741 I CB 1.340 39.391 38.000 0.084 0.000 1.289 741 I HN 0.619 nan 8.210 nan 0.000 0.438 742 T N 1.777 116.391 114.554 0.100 0.000 2.909 742 T HA 0.735 5.082 4.350 -0.004 0.000 0.289 742 T C 0.215 175.027 174.700 0.187 0.000 1.005 742 T CA -0.685 61.543 62.100 0.213 0.000 1.084 742 T CB 1.833 70.782 68.868 0.134 0.000 0.975 742 T HN 0.907 nan 8.240 nan 0.000 0.509 743 G N 1.496 110.430 108.800 0.223 0.000 2.701 743 G HA2 0.585 4.542 3.960 -0.004 0.000 0.300 743 G HA3 0.585 4.542 3.960 -0.004 0.000 0.300 743 G C -1.400 173.589 174.900 0.148 0.000 1.410 743 G CA -1.009 44.184 45.100 0.155 0.000 1.014 743 G HN 0.731 nan 8.290 nan 0.000 0.509 744 N N -0.236 118.541 118.700 0.127 0.000 2.328 744 N HA 0.744 5.481 4.740 -0.004 0.000 0.299 744 N C -1.619 174.003 175.510 0.187 0.000 1.179 744 N CA -0.510 52.611 53.050 0.118 0.000 0.793 744 N CB 2.487 41.015 38.487 0.067 0.000 1.366 744 N HN 0.663 nan 8.380 nan 0.000 0.493 745 W N 0.075 121.350 121.300 -0.043 0.000 3.217 745 W HA 0.559 5.217 4.660 -0.004 0.000 0.323 745 W C -1.500 174.982 176.519 -0.063 0.000 1.216 745 W CA -0.198 57.113 57.345 -0.057 0.000 1.194 745 W CB 1.813 31.228 29.460 -0.075 0.000 1.397 745 W HN 0.274 nan 8.180 nan 0.000 0.537 746 T N 3.380 117.356 114.554 -0.964 0.000 2.886 746 T HA 0.526 4.874 4.350 -0.004 0.000 0.292 746 T C -0.360 173.491 174.700 -1.416 0.000 1.012 746 T CA -0.523 61.077 62.100 -0.834 0.000 0.982 746 T CB 1.587 70.171 68.868 -0.474 0.000 1.018 746 T HN 0.570 nan 8.240 nan 0.000 0.451 747 A N 2.446 124.740 122.820 -0.877 0.000 3.030 747 A HA 0.330 4.647 4.320 -0.004 0.000 0.273 747 A C 1.686 179.038 177.584 -0.387 0.000 1.841 747 A CA -0.236 51.457 52.037 -0.575 0.000 1.479 747 A CB -0.785 18.120 19.000 -0.159 0.000 1.048 747 A HN 0.783 nan 8.150 nan 0.000 0.612 748 S N 1.516 116.954 115.700 -0.436 0.000 2.374 748 S HA -0.138 4.329 4.470 -0.004 0.000 0.227 748 S C 1.919 176.415 174.600 -0.173 0.000 1.037 748 S CA 1.806 59.840 58.200 -0.277 0.000 1.024 748 S CB -0.066 62.981 63.200 -0.255 0.000 0.861 748 S HN 0.905 nan 8.310 nan 0.000 0.456 749 G N 0.220 108.939 108.800 -0.136 0.000 3.181 749 G HA2 0.478 4.436 3.960 -0.004 0.000 0.219 749 G HA3 0.478 4.436 3.960 -0.004 0.000 0.219 749 G C 0.108 174.955 174.900 -0.088 0.000 1.182 749 G CA 0.336 45.385 45.100 -0.085 0.000 0.791 749 G HN 0.573 nan 8.290 nan 0.000 0.537 750 A N 0.380 123.124 122.820 -0.127 0.000 2.295 750 A HA 0.804 5.121 4.320 -0.004 0.000 0.318 750 A C 0.323 177.799 177.584 -0.180 0.000 1.134 750 A CA -0.083 51.859 52.037 -0.158 0.000 0.827 750 A CB 0.946 19.825 19.000 -0.202 0.000 1.136 750 A HN 0.479 nan 8.150 nan 0.000 0.493 751 T N -0.835 113.601 114.554 -0.198 0.000 2.903 751 T HA 0.599 4.947 4.350 -0.004 0.000 0.299 751 T C -0.505 174.052 174.700 -0.240 0.000 1.093 751 T CA -0.610 61.389 62.100 -0.169 0.000 1.002 751 T CB 0.681 69.501 68.868 -0.079 0.000 1.127 751 T HN 0.632 nan 8.240 nan 0.000 0.488 752 H N -0.613 118.377 119.070 -0.133 0.000 2.707 752 H HA 0.379 4.933 4.556 -0.004 0.000 0.359 752 H C 0.341 175.605 175.328 -0.106 0.000 1.113 752 H CA 0.074 56.037 56.048 -0.142 0.000 1.422 752 H CB 0.357 30.030 29.762 -0.148 0.000 1.443 752 H HN 0.729 nan 8.280 nan 0.000 0.591 753 C N 2.830 122.151 119.300 0.035 0.000 2.632 753 C HA 0.002 4.460 4.460 -0.004 0.000 0.415 753 C C 0.874 175.896 174.990 0.053 0.000 1.332 753 C CA -0.481 58.561 59.018 0.039 0.000 1.874 753 C CB -0.884 26.900 27.740 0.072 0.000 2.596 753 C HN 0.821 nan 8.230 nan 0.000 0.590 754 D N 1.622 122.047 120.400 0.042 0.000 2.414 754 D HA 0.299 4.936 4.640 -0.004 0.000 0.242 754 D C 0.955 177.290 176.300 0.060 0.000 1.129 754 D CA 0.309 54.330 54.000 0.034 0.000 0.885 754 D CB 0.880 41.695 40.800 0.025 0.000 1.198 754 D HN 0.644 nan 8.370 nan 0.000 0.437 755 A N 2.754 125.603 122.820 0.048 0.000 2.015 755 A HA -0.065 4.253 4.320 -0.004 0.000 0.219 755 A C 1.881 179.496 177.584 0.051 0.000 1.163 755 A CA 1.096 53.182 52.037 0.082 0.000 0.646 755 A CB -0.166 18.876 19.000 0.071 0.000 0.806 755 A HN 0.486 nan 8.150 nan 0.000 0.448 756 V N -0.696 119.236 119.914 0.031 0.000 2.672 756 V HA -0.071 4.046 4.120 -0.004 0.000 0.242 756 V C 2.616 178.723 176.094 0.021 0.000 1.059 756 V CA 2.038 64.346 62.300 0.013 0.000 1.081 756 V CB -0.345 31.482 31.823 0.007 0.000 0.752 756 V HN 0.750 nan 8.190 nan 0.000 0.472 757 T N -3.316 111.259 114.554 0.035 0.000 3.015 757 T HA 0.307 4.655 4.350 -0.004 0.000 0.250 757 T C 1.672 176.412 174.700 0.068 0.000 1.057 757 T CA 0.994 63.120 62.100 0.044 0.000 1.066 757 T CB 0.782 69.672 68.868 0.037 0.000 0.959 757 T HN 0.879 nan 8.240 nan 0.000 0.488 758 G N 1.647 110.495 108.800 0.081 0.000 2.184 758 G HA2 -0.232 3.725 3.960 -0.004 0.000 0.264 758 G HA3 -0.232 3.725 3.960 -0.004 0.000 0.264 758 G C 0.004 174.950 174.900 0.077 0.000 0.975 758 G CA 0.380 45.545 45.100 0.108 0.000 0.642 758 G HN 0.650 nan 8.290 nan 0.000 0.536 759 L N 0.172 121.426 121.223 0.053 0.000 2.417 759 L HA 0.662 4.999 4.340 -0.004 0.000 0.268 759 L C 1.110 177.989 176.870 0.014 0.000 1.158 759 L CA 0.412 55.271 54.840 0.031 0.000 0.819 759 L CB 1.195 43.270 42.059 0.027 0.000 1.112 759 L HN 0.621 nan 8.230 nan 0.000 0.458 760 G N 1.417 110.215 108.800 -0.004 0.000 2.333 760 G HA2 0.210 4.168 3.960 -0.004 0.000 0.288 760 G HA3 0.210 4.168 3.960 -0.004 0.000 0.288 760 G C -1.609 173.267 174.900 -0.041 0.000 1.286 760 G CA -0.812 44.272 45.100 -0.026 0.000 0.865 760 G HN 0.460 nan 8.290 nan 0.000 0.506 761 K N 1.492 121.848 120.400 -0.073 0.000 2.762 761 K HA 0.306 4.624 4.320 -0.004 0.000 0.180 761 K C -2.014 174.478 176.600 -0.179 0.000 1.067 761 K CA -1.555 54.693 56.287 -0.065 0.000 0.973 761 K CB 2.781 35.257 32.500 -0.040 0.000 1.290 761 K HN 0.184 nan 8.250 nan 0.000 0.604 762 P HA -0.100 nan 4.420 nan 0.000 0.221 762 P C -0.335 176.334 177.300 -1.053 0.000 1.150 762 P CA 0.924 63.571 63.100 -0.755 0.000 0.800 762 P CB 0.117 31.242 31.700 -0.959 0.000 0.787 763 F N -1.443 118.395 119.950 -0.187 0.000 2.565 763 F HA 0.245 4.769 4.527 -0.004 0.000 0.313 763 F C 1.323 176.981 175.800 -0.235 0.000 1.091 763 F CA -1.110 56.681 58.000 -0.348 0.000 0.915 763 F CB 1.336 39.885 39.000 -0.751 0.000 1.208 763 F HN -0.414 nan 8.300 nan 0.000 0.453 764 V N -1.110 118.815 119.914 0.019 0.000 3.506 764 V HA 0.302 4.419 4.120 -0.004 0.000 0.263 764 V C -0.054 176.090 176.094 0.083 0.000 1.203 764 V CA 0.118 62.460 62.300 0.069 0.000 1.133 764 V CB -0.101 31.773 31.823 0.085 0.000 0.802 764 V HN 0.401 nan 8.190 nan 0.000 0.459 765 V N 0.616 120.519 119.914 -0.018 0.000 2.577 765 V HA 0.588 4.705 4.120 -0.004 0.000 0.303 765 V C -1.062 174.894 176.094 -0.230 0.000 1.042 765 V CA -0.722 61.567 62.300 -0.019 0.000 0.872 765 V CB 1.551 33.365 31.823 -0.015 0.000 0.998 765 V HN 0.349 nan 8.190 nan 0.000 0.423 766 Y N 3.120 123.365 120.300 -0.091 0.000 2.587 766 Y HA 0.725 5.273 4.550 -0.004 0.000 0.337 766 Y C 0.260 175.900 175.900 -0.433 0.000 1.065 766 Y CA -1.010 56.900 58.100 -0.317 0.000 1.126 766 Y CB 2.067 40.254 38.460 -0.455 0.000 1.279 766 Y HN 0.457 nan 8.280 nan 0.000 0.489 767 M N 1.692 121.093 119.600 -0.332 0.000 2.404 767 M HA 0.458 4.935 4.480 -0.004 0.000 0.338 767 M C -1.822 174.203 176.300 -0.458 0.000 1.150 767 M CA -0.575 54.568 55.300 -0.263 0.000 1.016 767 M CB 1.506 34.043 32.600 -0.106 0.000 1.672 767 M HN 0.486 nan 8.290 nan 0.000 0.448 768 Y N 0.124 120.446 120.300 0.037 0.000 2.425 768 Y HA 0.824 5.371 4.550 -0.004 0.000 0.344 768 Y C 0.305 176.169 175.900 -0.060 0.000 0.969 768 Y CA -0.887 57.214 58.100 0.001 0.000 1.052 768 Y CB 2.491 40.940 38.460 -0.018 0.000 1.215 768 Y HN 0.779 nan 8.280 nan 0.000 0.451 769 G N 0.559 109.386 108.800 0.044 0.000 2.698 769 G HA2 0.602 4.559 3.960 -0.004 0.000 0.293 769 G HA3 0.602 4.559 3.960 -0.004 0.000 0.293 769 G C -2.300 172.490 174.900 -0.182 0.000 1.437 769 G CA -0.845 44.165 45.100 -0.151 0.000 0.852 769 G HN 0.429 nan 8.290 nan 0.000 0.499 770 V N 0.726 120.480 119.914 -0.266 0.000 2.483 770 V HA 0.562 4.679 4.120 -0.004 0.000 0.297 770 V C -0.975 174.963 176.094 -0.259 0.000 1.027 770 V CA -0.676 61.526 62.300 -0.164 0.000 0.855 770 V CB 1.139 32.916 31.823 -0.076 0.000 0.995 770 V HN 0.577 nan 8.190 nan 0.000 0.424 771 F N 4.196 124.117 119.950 -0.049 0.000 2.422 771 F HA 0.709 5.234 4.527 -0.004 0.000 0.333 771 F C 0.213 175.990 175.800 -0.038 0.000 1.095 771 F CA -0.515 57.459 58.000 -0.044 0.000 1.038 771 F CB 1.762 40.730 39.000 -0.054 0.000 1.156 771 F HN 0.380 nan 8.300 nan 0.000 0.483 772 M N 3.171 122.869 119.600 0.163 0.000 2.204 772 M HA 0.746 5.224 4.480 -0.004 0.000 0.293 772 M C -1.619 174.754 176.300 0.122 0.000 0.994 772 M CA -0.448 54.926 55.300 0.123 0.000 0.925 772 M CB 1.440 34.104 32.600 0.107 0.000 1.577 772 M HN 0.689 nan 8.290 nan 0.000 0.439 773 A N 4.353 127.234 122.820 0.102 0.000 2.330 773 A HA 0.714 5.031 4.320 -0.004 0.000 0.327 773 A C -1.163 176.464 177.584 0.071 0.000 1.155 773 A CA -0.532 51.551 52.037 0.076 0.000 0.803 773 A CB 0.954 19.983 19.000 0.048 0.000 1.208 773 A HN 0.861 nan 8.150 nan 0.000 0.477 774 E N 0.960 121.194 120.200 0.057 0.000 2.185 774 E HA 0.484 4.831 4.350 -0.004 0.000 0.261 774 E C -0.771 175.851 176.600 0.037 0.000 0.879 774 E CA -0.618 55.810 56.400 0.047 0.000 0.756 774 E CB 2.061 31.786 29.700 0.041 0.000 1.152 774 E HN 0.656 nan 8.360 nan 0.000 0.416 775 V N 0.019 119.954 119.914 0.035 0.000 3.001 775 V HA 0.729 4.847 4.120 -0.004 0.000 0.314 775 V C -0.482 175.635 176.094 0.038 0.000 1.099 775 V CA -0.534 61.787 62.300 0.034 0.000 0.989 775 V CB 2.250 34.092 31.823 0.031 0.000 1.040 775 V HN 0.500 nan 8.190 nan 0.000 0.434 776 T N 2.587 117.169 114.554 0.047 0.000 2.812 776 T HA 0.659 5.007 4.350 -0.004 0.000 0.282 776 T C -0.569 174.170 174.700 0.066 0.000 0.990 776 T CA -0.360 61.779 62.100 0.066 0.000 0.960 776 T CB 1.389 70.309 68.868 0.087 0.000 0.948 776 T HN 0.789 nan 8.240 nan 0.000 0.438 777 V N 3.329 123.272 119.914 0.050 0.000 2.370 777 V HA 0.337 4.455 4.120 -0.004 0.000 0.283 777 V C 0.047 176.124 176.094 -0.029 0.000 1.023 777 V CA -0.961 61.351 62.300 0.020 0.000 0.857 777 V CB 1.590 33.418 31.823 0.008 0.000 0.985 777 V HN 0.826 nan 8.190 nan 0.000 0.443 778 D N 4.084 124.443 120.400 -0.068 0.000 2.365 778 D HA 0.108 4.745 4.640 -0.004 0.000 0.237 778 D C 1.030 177.232 176.300 -0.163 0.000 1.190 778 D CA -0.243 53.605 54.000 -0.254 0.000 0.867 778 D CB 1.895 42.573 40.800 -0.203 0.000 1.050 778 D HN 0.436 nan 8.370 nan 0.000 0.491 779 V N 2.605 122.416 119.914 -0.172 0.000 3.217 779 V HA 0.062 4.180 4.120 -0.004 0.000 0.264 779 V C 1.809 177.860 176.094 -0.073 0.000 1.135 779 V CA 1.247 63.493 62.300 -0.089 0.000 1.142 779 V CB -0.567 31.218 31.823 -0.064 0.000 0.754 779 V HN 0.473 nan 8.190 nan 0.000 0.484 780 A N 1.789 124.550 122.820 -0.099 0.000 1.935 780 A HA -0.006 4.311 4.320 -0.004 0.000 0.214 780 A C 2.381 179.943 177.584 -0.037 0.000 1.178 780 A CA 1.933 53.934 52.037 -0.060 0.000 0.640 780 A CB -0.640 18.323 19.000 -0.061 0.000 0.825 780 A HN 0.741 nan 8.150 nan 0.000 0.447 781 T N -5.755 108.774 114.554 -0.041 0.000 2.990 781 T HA 0.412 4.759 4.350 -0.004 0.000 0.250 781 T C 1.421 176.122 174.700 0.001 0.000 1.041 781 T CA 1.152 63.244 62.100 -0.012 0.000 1.010 781 T CB 0.273 69.140 68.868 -0.003 0.000 1.003 781 T HN 1.653 nan 8.240 nan 0.000 0.499 782 G N 1.298 110.093 108.800 -0.008 0.000 2.148 782 G HA2 -0.279 3.678 3.960 -0.004 0.000 0.254 782 G HA3 -0.279 3.678 3.960 -0.004 0.000 0.254 782 G C -0.087 174.828 174.900 0.025 0.000 0.981 782 G CA 0.321 45.427 45.100 0.011 0.000 0.670 782 G HN 0.890 nan 8.290 nan 0.000 0.528 783 Q N 1.250 121.063 119.800 0.021 0.000 2.288 783 Q HA 0.604 4.942 4.340 -0.004 0.000 0.258 783 Q C 0.200 176.223 176.000 0.038 0.000 0.957 783 Q CA 0.255 56.082 55.803 0.039 0.000 0.919 783 Q CB 0.659 29.423 28.738 0.044 0.000 1.185 783 Q HN 0.207 nan 8.270 nan 0.000 0.408 784 T N 3.885 118.464 114.554 0.042 0.000 2.799 784 T HA 0.481 4.828 4.350 -0.004 0.000 0.286 784 T C -0.650 174.076 174.700 0.043 0.000 0.973 784 T CA -0.491 61.633 62.100 0.039 0.000 1.035 784 T CB 1.117 70.002 68.868 0.028 0.000 0.932 784 T HN 0.569 nan 8.240 nan 0.000 0.469 785 T N 2.821 117.404 114.554 0.048 0.000 2.792 785 T HA 0.411 4.759 4.350 -0.004 0.000 0.280 785 T C -0.038 174.683 174.700 0.036 0.000 0.990 785 T CA -0.517 61.609 62.100 0.044 0.000 0.960 785 T CB 1.076 69.975 68.868 0.052 0.000 0.939 785 T HN 0.329 nan 8.240 nan 0.000 0.439 786 V N 4.244 124.175 119.914 0.029 0.000 2.408 786 V HA 0.166 4.284 4.120 -0.004 0.000 0.267 786 V C 0.657 176.767 176.094 0.027 0.000 1.047 786 V CA -0.127 62.190 62.300 0.027 0.000 0.937 786 V CB 0.914 32.750 31.823 0.022 0.000 0.999 786 V HN 0.892 nan 8.190 nan 0.000 0.472 787 D N 3.591 124.007 120.400 0.027 0.000 2.327 787 D HA 0.206 4.843 4.640 -0.004 0.000 0.205 787 D C 0.855 177.168 176.300 0.022 0.000 0.989 787 D CA 0.873 54.886 54.000 0.022 0.000 0.873 787 D CB 1.247 42.059 40.800 0.021 0.000 0.955 787 D HN 0.695 nan 8.370 nan 0.000 0.515 788 G N 0.277 109.095 108.800 0.030 0.000 2.732 788 G HA2 0.497 4.455 3.960 -0.004 0.000 0.296 788 G HA3 0.497 4.455 3.960 -0.004 0.000 0.296 788 G C -1.244 173.685 174.900 0.049 0.000 1.448 788 G CA -0.599 44.522 45.100 0.034 0.000 0.911 788 G HN -0.202 nan 8.290 nan 0.000 0.528 789 M N 1.283 120.918 119.600 0.058 0.000 2.393 789 M HA 0.541 5.019 4.480 -0.004 0.000 0.299 789 M C -0.707 175.642 176.300 0.081 0.000 1.103 789 M CA -0.561 54.789 55.300 0.084 0.000 0.910 789 M CB 1.894 34.556 32.600 0.102 0.000 1.659 789 M HN 0.443 nan 8.290 nan 0.000 0.445 790 T N 3.391 117.994 114.554 0.081 0.000 2.841 790 T HA 0.714 5.062 4.350 -0.004 0.000 0.283 790 T C -1.223 173.468 174.700 -0.015 0.000 1.000 790 T CA -0.531 61.589 62.100 0.034 0.000 0.977 790 T CB 1.982 70.866 68.868 0.026 0.000 0.979 790 T HN 0.535 nan 8.240 nan 0.000 0.446 791 L N 4.348 125.506 121.223 -0.109 0.000 2.372 791 L HA 0.581 4.918 4.340 -0.004 0.000 0.274 791 L C -0.791 175.917 176.870 -0.270 0.000 0.988 791 L CA -0.723 53.947 54.840 -0.284 0.000 0.833 791 L CB 1.311 43.142 42.059 -0.381 0.000 1.236 791 L HN 0.533 nan 8.230 nan 0.000 0.410 792 M N 4.855 124.307 119.600 -0.247 0.000 2.194 792 M HA 0.494 4.971 4.480 -0.004 0.000 0.347 792 M C 0.039 176.222 176.300 -0.195 0.000 1.439 792 M CA -0.061 55.131 55.300 -0.180 0.000 1.131 792 M CB 0.204 32.738 32.600 -0.111 0.000 1.733 792 M HN 0.702 nan 8.290 nan 0.000 0.467 793 A N 2.995 125.727 122.820 -0.147 0.000 2.330 793 A HA 0.552 4.870 4.320 -0.004 0.000 0.313 793 A C -0.814 176.827 177.584 0.095 0.000 1.124 793 A CA -0.712 51.288 52.037 -0.060 0.000 0.774 793 A CB 0.950 19.901 19.000 -0.080 0.000 1.198 793 A HN 0.670 nan 8.150 nan 0.000 0.465 794 D N 2.931 123.396 120.400 0.108 0.000 2.443 794 D HA 0.426 5.064 4.640 -0.004 0.000 0.221 794 D C 0.073 176.469 176.300 0.160 0.000 1.097 794 D CA -0.158 53.941 54.000 0.165 0.000 0.865 794 D CB 0.509 41.403 40.800 0.156 0.000 1.034 794 D HN 0.373 nan 8.370 nan 0.000 0.511 795 L N 2.980 124.292 121.223 0.149 0.000 2.857 795 L HA 0.350 4.688 4.340 -0.004 0.000 0.249 795 L C 1.831 178.752 176.870 0.085 0.000 1.172 795 L CA -0.003 54.891 54.840 0.090 0.000 0.980 795 L CB 0.074 42.160 42.059 0.045 0.000 1.299 795 L HN 0.687 nan 8.230 nan 0.000 0.535 796 G N 0.690 109.567 108.800 0.128 0.000 4.148 796 G HA2 -0.359 3.599 3.960 -0.004 0.000 0.221 796 G HA3 -0.359 3.599 3.960 -0.004 0.000 0.221 796 G C 0.353 175.331 174.900 0.130 0.000 1.373 796 G CA 0.431 45.614 45.100 0.139 0.000 0.940 796 G HN 0.436 nan 8.290 nan 0.000 0.610 797 S N -0.943 114.830 115.700 0.122 0.000 2.556 797 S HA 0.586 5.053 4.470 -0.004 0.000 0.280 797 S C -0.982 173.611 174.600 -0.011 0.000 1.141 797 S CA -0.462 57.822 58.200 0.141 0.000 0.883 797 S CB 0.853 64.280 63.200 0.378 0.000 1.103 797 S HN 1.004 nan 8.310 nan 0.000 0.453 798 L N 4.015 125.098 121.223 -0.234 0.000 2.265 798 L HA 0.472 4.809 4.340 -0.004 0.000 0.288 798 L C 1.614 177.855 176.870 -1.048 0.000 1.058 798 L CA -0.830 53.706 54.840 -0.506 0.000 0.809 798 L CB 0.911 42.652 42.059 -0.530 0.000 1.179 798 L HN 0.894 nan 8.230 nan 0.000 0.429 799 C N 2.808 121.367 119.300 -1.234 0.000 2.436 799 C HA -0.050 4.407 4.460 -0.004 0.000 0.277 799 C C 1.066 175.542 174.990 -0.858 0.000 1.241 799 C CA 0.777 58.799 59.018 -1.659 0.000 1.721 799 C CB -0.569 26.627 27.740 -0.906 0.000 2.043 799 C HN 0.940 nan 8.230 nan 0.000 0.472 800 N N -0.777 117.606 118.700 -0.529 0.000 2.425 800 N HA 0.130 4.867 4.740 -0.004 0.000 0.289 800 N C -0.027 175.320 175.510 -0.272 0.000 1.074 800 N CA -0.248 52.599 53.050 -0.338 0.000 0.905 800 N CB 1.260 39.597 38.487 -0.249 0.000 1.586 800 N HN 0.508 nan 8.380 nan 0.000 0.490 801 Q N 2.965 122.631 119.800 -0.223 0.000 2.079 801 Q HA 0.026 4.364 4.340 -0.004 0.000 0.200 801 Q C 1.580 177.518 176.000 -0.102 0.000 0.974 801 Q CA 1.062 56.764 55.803 -0.168 0.000 0.840 801 Q CB 0.297 28.970 28.738 -0.109 0.000 0.898 801 Q HN 0.710 nan 8.270 nan 0.000 0.430 802 L N 0.009 121.174 121.223 -0.097 0.000 2.043 802 L HA -0.249 4.088 4.340 -0.004 0.000 0.212 802 L C 2.502 179.319 176.870 -0.088 0.000 1.075 802 L CA 1.305 56.098 54.840 -0.078 0.000 0.752 802 L CB -0.629 41.369 42.059 -0.101 0.000 0.891 802 L HN 0.277 nan 8.230 nan 0.000 0.432 803 A N 0.042 122.791 122.820 -0.120 0.000 1.873 803 A HA -0.198 4.120 4.320 -0.004 0.000 0.215 803 A C 2.436 179.960 177.584 -0.099 0.000 1.186 803 A CA 2.190 54.158 52.037 -0.114 0.000 0.616 803 A CB -0.931 17.983 19.000 -0.143 0.000 0.823 803 A HN 0.528 nan 8.150 nan 0.000 0.442 804 T N -2.163 112.325 114.554 -0.111 0.000 2.812 804 T HA -0.132 4.216 4.350 -0.004 0.000 0.264 804 T C 1.408 176.068 174.700 -0.068 0.000 1.042 804 T CA 1.478 63.537 62.100 -0.068 0.000 1.140 804 T CB -0.530 68.288 68.868 -0.083 0.000 0.870 804 T HN 0.311 nan 8.240 nan 0.000 0.445 805 D N 1.957 122.296 120.400 -0.101 0.000 2.106 805 D HA -0.021 4.617 4.640 -0.004 0.000 0.191 805 D C 2.467 178.456 176.300 -0.518 0.000 0.997 805 D CA 1.650 55.425 54.000 -0.375 0.000 0.834 805 D CB -1.090 39.562 40.800 -0.246 0.000 0.956 805 D HN 0.555 nan 8.370 nan 0.000 0.448 806 G N 0.583 109.273 108.800 -0.183 0.000 2.446 806 G HA2 -0.286 3.672 3.960 -0.004 0.000 0.217 806 G HA3 -0.286 3.672 3.960 -0.004 0.000 0.217 806 G C 1.570 176.452 174.900 -0.031 0.000 1.168 806 G CA 0.619 45.698 45.100 -0.035 0.000 0.771 806 G HN 0.152 nan 8.290 nan 0.000 0.551 807 Q N 0.321 120.088 119.800 -0.055 0.000 2.045 807 Q HA -0.098 4.240 4.340 -0.004 0.000 0.206 807 Q C 2.749 178.734 176.000 -0.026 0.000 0.991 807 Q CA 1.220 57.010 55.803 -0.022 0.000 0.851 807 Q CB -0.488 28.233 28.738 -0.028 0.000 0.911 807 Q HN 0.594 nan 8.270 nan 0.000 0.418 808 I N -0.283 120.226 120.570 -0.101 0.000 2.179 808 I HA -0.296 3.871 4.170 -0.004 0.000 0.242 808 I C 2.132 178.250 176.117 0.003 0.000 1.088 808 I CA 1.066 62.311 61.300 -0.091 0.000 1.357 808 I CB -0.460 37.425 38.000 -0.191 0.000 1.051 808 I HN 0.127 nan 8.210 nan 0.000 0.409 809 Y N 1.097 121.395 120.300 -0.003 0.000 2.151 809 Y HA -0.218 4.330 4.550 -0.004 0.000 0.284 809 Y C 2.620 178.508 175.900 -0.020 0.000 1.166 809 Y CA 1.072 59.167 58.100 -0.009 0.000 1.163 809 Y CB -1.737 36.712 38.460 -0.019 0.000 0.974 809 Y HN 0.150 nan 8.280 nan 0.000 0.511 810 G N -0.704 108.173 108.800 0.128 0.000 2.418 810 G HA2 -0.174 3.784 3.960 -0.004 0.000 0.217 810 G HA3 -0.174 3.784 3.960 -0.004 0.000 0.217 810 G C 2.083 176.987 174.900 0.006 0.000 1.158 810 G CA 0.923 46.050 45.100 0.046 0.000 0.771 810 G HN 0.538 nan 8.290 nan 0.000 0.545 811 G N 0.638 109.459 108.800 0.035 0.000 2.421 811 G HA2 -0.059 3.898 3.960 -0.004 0.000 0.217 811 G HA3 -0.059 3.898 3.960 -0.004 0.000 0.217 811 G C 1.803 176.711 174.900 0.013 0.000 1.143 811 G CA 0.572 45.681 45.100 0.015 0.000 0.784 811 G HN 0.416 nan 8.290 nan 0.000 0.541 812 L N 0.715 121.980 121.223 0.070 0.000 2.017 812 L HA -0.071 4.267 4.340 -0.004 0.000 0.208 812 L C 3.415 180.292 176.870 0.011 0.000 1.073 812 L CA 1.084 55.974 54.840 0.082 0.000 0.745 812 L CB -0.470 41.676 42.059 0.145 0.000 0.894 812 L HN 0.287 nan 8.230 nan 0.000 0.432 813 A N -0.429 122.390 122.820 -0.001 0.000 1.908 813 A HA -0.272 4.046 4.320 -0.004 0.000 0.218 813 A C 2.215 179.715 177.584 -0.140 0.000 1.181 813 A CA 1.752 53.759 52.037 -0.049 0.000 0.627 813 A CB -0.508 18.463 19.000 -0.047 0.000 0.818 813 A HN 0.514 nan 8.150 nan 0.000 0.445 814 Q N -1.000 118.697 119.800 -0.172 0.000 2.230 814 Q HA -0.052 4.286 4.340 -0.004 0.000 0.202 814 Q C 2.135 177.982 176.000 -0.255 0.000 0.963 814 Q CA 0.813 56.474 55.803 -0.237 0.000 0.866 814 Q CB -0.319 28.285 28.738 -0.222 0.000 0.931 814 Q HN 0.705 nan 8.270 nan 0.000 0.452 815 G N 0.971 109.660 108.800 -0.185 0.000 2.408 815 G HA2 -0.203 3.755 3.960 -0.004 0.000 0.217 815 G HA3 -0.203 3.755 3.960 -0.004 0.000 0.217 815 G C 1.388 176.200 174.900 -0.146 0.000 1.150 815 G CA 0.426 45.424 45.100 -0.170 0.000 0.776 815 G HN 0.212 nan 8.290 nan 0.000 0.542 816 I N 1.187 121.689 120.570 -0.114 0.000 2.202 816 I HA -0.041 4.126 4.170 -0.004 0.000 0.242 816 I C 3.089 179.128 176.117 -0.128 0.000 1.091 816 I CA 0.956 62.202 61.300 -0.090 0.000 1.368 816 I CB -0.449 37.520 38.000 -0.050 0.000 1.058 816 I HN 0.224 nan 8.210 nan 0.000 0.410 817 G N 1.180 109.875 108.800 -0.175 0.000 2.459 817 G HA2 -0.283 3.675 3.960 -0.004 0.000 0.217 817 G HA3 -0.283 3.675 3.960 -0.004 0.000 0.217 817 G C 1.643 176.401 174.900 -0.238 0.000 1.183 817 G CA 0.759 45.739 45.100 -0.200 0.000 0.776 817 G HN 0.249 nan 8.290 nan 0.000 0.552 818 L N 1.419 122.450 121.223 -0.320 0.000 2.042 818 L HA 0.088 4.425 4.340 -0.004 0.000 0.210 818 L C 3.026 179.677 176.870 -0.365 0.000 1.076 818 L CA 2.199 56.782 54.840 -0.428 0.000 0.749 818 L CB -0.738 40.928 42.059 -0.655 0.000 0.893 818 L HN 0.253 nan 8.230 nan 0.000 0.432 819 A N -1.167 121.503 122.820 -0.249 0.000 1.897 819 A HA -0.051 4.267 4.320 -0.004 0.000 0.215 819 A C 2.134 179.614 177.584 -0.173 0.000 1.181 819 A CA 1.919 53.856 52.037 -0.167 0.000 0.620 819 A CB -0.436 18.526 19.000 -0.064 0.000 0.821 819 A HN 0.486 nan 8.150 nan 0.000 0.443 820 L N -1.539 119.592 121.223 -0.154 0.000 2.609 820 L HA 0.111 4.448 4.340 -0.004 0.000 0.230 820 L C 2.037 178.834 176.870 -0.122 0.000 1.064 820 L CA 1.059 55.831 54.840 -0.114 0.000 0.873 820 L CB 0.346 42.380 42.059 -0.043 0.000 1.139 820 L HN 0.535 nan 8.230 nan 0.000 0.490 821 S N -2.909 112.715 115.700 -0.127 0.000 2.658 821 S HA 0.179 4.646 4.470 -0.004 0.000 0.277 821 S C 0.427 175.013 174.600 -0.024 0.000 1.078 821 S CA -0.521 57.674 58.200 -0.008 0.000 1.124 821 S CB 0.496 63.725 63.200 0.047 0.000 1.016 821 S HN 0.131 nan 8.310 nan 0.000 0.543 822 E N 1.552 121.674 120.200 -0.130 0.000 2.249 822 E HA 0.628 4.975 4.350 -0.004 0.000 0.280 822 E C -1.417 175.090 176.600 -0.155 0.000 1.016 822 E CA -0.302 56.027 56.400 -0.119 0.000 0.830 822 E CB 0.963 30.573 29.700 -0.150 0.000 1.081 822 E HN 0.252 nan 8.360 nan 0.000 0.395 823 D N 1.552 121.871 120.400 -0.136 0.000 2.720 823 D HA 0.169 4.807 4.640 -0.004 0.000 0.239 823 D C -1.984 174.268 176.300 -0.079 0.000 1.218 823 D CA -0.579 53.349 54.000 -0.120 0.000 0.748 823 D CB 0.921 41.659 40.800 -0.104 0.000 1.387 823 D HN 0.283 nan 8.370 nan 0.000 0.438 824 F N 2.603 122.540 119.950 -0.021 0.000 2.552 824 F HA 0.375 4.900 4.527 -0.005 0.000 0.369 824 F C 0.583 176.517 175.800 0.224 0.000 1.112 824 F CA -0.315 57.783 58.000 0.165 0.000 1.129 824 F CB 1.187 40.265 39.000 0.130 0.000 1.360 824 F HN 0.308 nan 8.300 nan 0.000 0.473 825 E N 1.952 122.279 120.200 0.212 0.000 2.357 825 E HA 0.063 4.410 4.350 -0.004 0.000 0.202 825 E C -0.287 176.311 176.600 -0.002 0.000 0.855 825 E CA 0.369 56.853 56.400 0.141 0.000 1.048 825 E CB 0.183 30.025 29.700 0.236 0.000 1.037 825 E HN 0.443 nan 8.360 nan 0.000 0.499 826 D N 0.619 120.828 120.400 -0.317 0.000 2.317 826 D HA 0.105 4.743 4.640 -0.004 0.000 0.234 826 D C 1.167 177.094 176.300 -0.622 0.000 1.112 826 D CA -0.140 53.576 54.000 -0.474 0.000 0.840 826 D CB 0.777 41.230 40.800 -0.578 0.000 1.078 826 D HN 0.166 nan 8.370 nan 0.000 0.486 827 I N 3.557 123.853 120.570 -0.456 0.000 2.248 827 I HA -0.301 3.866 4.170 -0.004 0.000 0.248 827 I C 2.456 178.435 176.117 -0.230 0.000 1.107 827 I CA 1.218 62.292 61.300 -0.377 0.000 1.373 827 I CB 0.083 37.828 38.000 -0.426 0.000 1.055 827 I HN 0.337 nan 8.210 nan 0.000 0.418 828 K N 0.270 120.527 120.400 -0.238 0.000 2.141 828 K HA 0.000 4.318 4.320 -0.004 0.000 0.202 828 K C 2.126 178.679 176.600 -0.078 0.000 1.045 828 K CA 0.688 56.910 56.287 -0.108 0.000 0.971 828 K CB -0.051 32.388 32.500 -0.101 0.000 0.795 828 K HN 0.223 nan 8.250 nan 0.000 0.459 829 K N 0.354 120.637 120.400 -0.195 0.000 2.097 829 K HA -0.132 4.186 4.320 -0.004 0.000 0.206 829 K C 1.330 177.919 176.600 -0.018 0.000 1.049 829 K CA 1.350 57.535 56.287 -0.170 0.000 0.933 829 K CB -0.145 32.153 32.500 -0.336 0.000 0.717 829 K HN 0.363 nan 8.250 nan 0.000 0.442 830 H N -1.086 117.959 119.070 -0.040 0.000 2.519 830 H HA 0.247 4.800 4.556 -0.004 0.000 0.289 830 H C 0.814 176.339 175.328 0.329 0.000 1.040 830 H CA -0.366 55.727 56.048 0.074 0.000 1.165 830 H CB 0.576 30.290 29.762 -0.080 0.000 1.462 830 H HN 0.166 nan 8.280 nan 0.000 0.555 831 A N 0.893 123.943 122.820 0.384 0.000 2.307 831 A HA 0.062 4.379 4.320 -0.004 0.000 0.218 831 A C 1.113 178.918 177.584 0.368 0.000 1.228 831 A CA 0.064 52.362 52.037 0.436 0.000 0.857 831 A CB -0.271 18.935 19.000 0.343 0.000 0.897 831 A HN 0.325 nan 8.150 nan 0.000 0.495 832 T N -4.354 110.391 114.554 0.320 0.000 2.930 832 T HA 0.587 4.934 4.350 -0.004 0.000 0.290 832 T C 1.038 175.884 174.700 0.243 0.000 1.052 832 T CA -0.721 61.531 62.100 0.254 0.000 1.017 832 T CB 1.023 69.990 68.868 0.164 0.000 1.137 832 T HN -0.029 nan 8.240 nan 0.000 0.511 833 L N 1.247 122.522 121.223 0.088 0.000 1.990 833 L HA -0.144 4.194 4.340 -0.004 0.000 0.213 833 L C 3.039 180.059 176.870 0.249 0.000 1.072 833 L CA 2.054 56.935 54.840 0.069 0.000 0.755 833 L CB -0.867 41.053 42.059 -0.233 0.000 0.889 833 L HN 0.800 nan 8.230 nan 0.000 0.432 834 V N -2.655 117.412 119.914 0.255 0.000 2.358 834 V HA -0.060 4.058 4.120 -0.004 0.000 0.246 834 V C 2.346 178.581 176.094 0.236 0.000 1.047 834 V CA 1.764 64.242 62.300 0.296 0.000 1.035 834 V CB -1.650 30.280 31.823 0.180 0.000 0.658 834 V HN 0.406 nan 8.190 nan 0.000 0.452 835 G N 0.031 108.958 108.800 0.211 0.000 2.432 835 G HA2 -0.053 3.905 3.960 -0.004 0.000 0.219 835 G HA3 -0.053 3.905 3.960 -0.004 0.000 0.219 835 G C 1.517 176.592 174.900 0.293 0.000 1.135 835 G CA 0.922 46.158 45.100 0.227 0.000 0.767 835 G HN 0.990 nan 8.290 nan 0.000 0.550 836 A N -0.383 122.599 122.820 0.269 0.000 2.275 836 A HA 0.500 4.818 4.320 -0.004 0.000 0.212 836 A C 1.758 179.419 177.584 0.128 0.000 1.201 836 A CA 1.117 53.254 52.037 0.167 0.000 0.843 836 A CB -0.378 18.781 19.000 0.265 0.000 0.873 836 A HN 1.592 nan 8.150 nan 0.000 0.492 837 G N -0.865 108.052 108.800 0.196 0.000 2.212 837 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.255 837 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.255 837 G C -0.040 174.955 174.900 0.159 0.000 1.062 837 G CA -0.005 45.204 45.100 0.182 0.000 0.815 837 G HN 0.781 nan 8.290 nan 0.000 0.497 838 F N 1.564 121.539 119.950 0.042 0.000 2.578 838 F HA 0.467 4.991 4.527 -0.004 0.000 0.381 838 F C -1.486 174.209 175.800 -0.175 0.000 1.069 838 F CA -1.599 56.336 58.000 -0.109 0.000 1.231 838 F CB 0.834 39.695 39.000 -0.232 0.000 1.086 838 F HN 0.054 nan 8.300 nan 0.000 0.564 839 P HA 0.104 nan 4.420 nan 0.000 0.274 839 P C -0.907 176.324 177.300 -0.114 0.000 1.291 839 P CA 0.242 63.203 63.100 -0.232 0.000 0.815 839 P CB -0.028 31.515 31.700 -0.261 0.000 0.897 840 F N 1.725 121.813 119.950 0.231 0.000 2.368 840 F HA 0.247 4.771 4.527 -0.004 0.000 0.308 840 F C 2.319 178.034 175.800 -0.141 0.000 1.198 840 F CA -0.267 57.860 58.000 0.212 0.000 1.130 840 F CB 0.148 39.247 39.000 0.166 0.000 1.300 840 F HN 0.204 nan 8.300 nan 0.000 0.537 841 I N 0.937 121.332 120.570 -0.292 0.000 2.194 841 I HA -0.321 3.846 4.170 -0.004 0.000 0.246 841 I C 2.148 178.116 176.117 -0.249 0.000 1.093 841 I CA 1.555 62.391 61.300 -0.773 0.000 1.355 841 I CB -0.085 37.612 38.000 -0.505 0.000 1.046 841 I HN 0.436 nan 8.210 nan 0.000 0.413 842 K N 0.178 120.544 120.400 -0.056 0.000 2.362 842 K HA -0.210 4.107 4.320 -0.004 0.000 0.200 842 K C 1.859 178.465 176.600 0.010 0.000 1.046 842 K CA 0.990 57.273 56.287 -0.006 0.000 0.952 842 K CB -0.270 32.242 32.500 0.020 0.000 0.753 842 K HN 0.566 nan 8.250 nan 0.000 0.466 843 Q N 0.323 120.138 119.800 0.025 0.000 2.378 843 Q HA -0.020 4.318 4.340 -0.004 0.000 0.205 843 Q C -0.218 175.795 176.000 0.022 0.000 0.954 843 Q CA 0.431 56.256 55.803 0.036 0.000 0.901 843 Q CB 0.476 29.251 28.738 0.062 0.000 0.981 843 Q HN 0.004 nan 8.270 nan 0.000 0.483 844 I N 3.379 123.955 120.570 0.011 0.000 2.339 844 I HA 0.343 4.510 4.170 -0.004 0.000 0.290 844 I C -2.290 173.842 176.117 0.025 0.000 0.994 844 I CA -3.074 58.253 61.300 0.044 0.000 1.191 844 I CB 0.817 38.911 38.000 0.157 0.000 1.343 844 I HN -0.009 nan 8.210 nan 0.000 0.458 845 P HA 0.089 nan 4.420 nan 0.000 0.271 845 P C 0.297 177.594 177.300 -0.004 0.000 1.218 845 P CA -0.018 63.089 63.100 0.011 0.000 0.780 845 P CB 1.520 33.229 31.700 0.015 0.000 0.901 846 D N 1.528 121.922 120.400 -0.011 0.000 2.178 846 D HA -0.134 4.503 4.640 -0.004 0.000 0.201 846 D C 0.827 177.093 176.300 -0.056 0.000 0.980 846 D CA 1.157 55.136 54.000 -0.034 0.000 0.842 846 D CB -0.106 40.682 40.800 -0.020 0.000 0.948 846 D HN 0.251 nan 8.370 nan 0.000 0.472 847 K N 0.790 121.174 120.400 -0.027 0.000 2.083 847 K HA 0.108 4.426 4.320 -0.004 0.000 0.246 847 K C -0.797 175.798 176.600 -0.008 0.000 1.160 847 K CA -0.042 56.235 56.287 -0.016 0.000 1.060 847 K CB -0.529 31.973 32.500 0.002 0.000 1.417 847 K HN 0.203 nan 8.250 nan 0.000 0.329 848 L N 3.816 125.016 121.223 -0.038 0.000 2.294 848 L HA 0.320 4.658 4.340 -0.004 0.000 0.283 848 L C -0.639 176.303 176.870 0.119 0.000 1.015 848 L CA -0.782 54.074 54.840 0.026 0.000 0.831 848 L CB 1.480 43.504 42.059 -0.058 0.000 1.217 848 L HN 0.317 nan 8.230 nan 0.000 0.420 849 D N 4.641 125.105 120.400 0.107 0.000 2.278 849 D HA 0.565 5.202 4.640 -0.004 0.000 0.245 849 D C -0.369 175.934 176.300 0.005 0.000 1.052 849 D CA -0.106 53.936 54.000 0.070 0.000 0.834 849 D CB 2.770 43.587 40.800 0.028 0.000 1.194 849 D HN 0.237 nan 8.370 nan 0.000 0.481 850 I N 1.401 121.931 120.570 -0.067 0.000 2.433 850 I HA 0.335 4.503 4.170 -0.004 0.000 0.292 850 I C -0.451 175.481 176.117 -0.308 0.000 1.001 850 I CA -0.992 60.137 61.300 -0.285 0.000 1.119 850 I CB 2.098 39.791 38.000 -0.511 0.000 1.289 850 I HN -0.076 nan 8.210 nan 0.000 0.438 851 V N 6.480 126.205 119.914 -0.315 0.000 2.407 851 V HA 0.318 4.436 4.120 -0.004 0.000 0.291 851 V C -0.800 175.154 176.094 -0.234 0.000 1.018 851 V CA -0.731 61.441 62.300 -0.214 0.000 0.842 851 V CB 1.037 32.809 31.823 -0.083 0.000 0.996 851 V HN 0.432 nan 8.190 nan 0.000 0.426 852 Y N 3.216 123.509 120.300 -0.012 0.000 2.365 852 Y HA 0.438 4.986 4.550 -0.004 0.000 0.340 852 Y C 0.453 176.370 175.900 0.029 0.000 1.016 852 Y CA -0.498 57.600 58.100 -0.003 0.000 1.196 852 Y CB 1.421 39.875 38.460 -0.011 0.000 1.167 852 Y HN 0.393 nan 8.280 nan 0.000 0.509 853 V N 4.519 124.555 119.914 0.204 0.000 2.320 853 V HA 0.179 4.296 4.120 -0.004 0.000 0.257 853 V C -0.621 175.640 176.094 0.278 0.000 0.996 853 V CA -0.993 61.426 62.300 0.197 0.000 0.928 853 V CB -0.073 31.841 31.823 0.151 0.000 1.169 853 V HN 0.708 nan 8.190 nan 0.000 0.475 854 N N 2.120 120.960 118.700 0.234 0.000 2.430 854 N HA 0.315 5.052 4.740 -0.004 0.000 0.265 854 N C -0.454 175.196 175.510 0.232 0.000 1.100 854 N CA -0.127 53.054 53.050 0.219 0.000 0.961 854 N CB 0.745 39.304 38.487 0.120 0.000 1.075 854 N HN 0.490 nan 8.380 nan 0.000 0.478 855 H N 1.744 120.862 119.070 0.081 0.000 2.691 855 H HA 0.341 4.894 4.556 -0.004 0.000 0.281 855 H C -2.098 173.275 175.328 0.075 0.000 1.121 855 H CA -1.864 54.226 56.048 0.069 0.000 1.254 855 H CB 0.568 30.362 29.762 0.053 0.000 1.390 855 H HN 0.333 nan 8.280 nan 0.000 0.491 856 P HA -0.080 nan 4.420 nan 0.000 0.260 856 P C -0.089 177.275 177.300 0.107 0.000 1.172 856 P CA 0.245 63.412 63.100 0.111 0.000 0.760 856 P CB 0.585 32.332 31.700 0.079 0.000 0.773 857 R N 5.904 126.463 120.500 0.098 0.000 2.340 857 R HA 0.159 4.497 4.340 -0.004 0.000 0.300 857 R C -1.571 174.759 176.300 0.050 0.000 1.069 857 R CA -2.003 54.146 56.100 0.081 0.000 0.984 857 R CB -0.461 29.883 30.300 0.073 0.000 1.003 857 R HN 0.360 nan 8.270 nan 0.000 0.459 858 P HA -0.136 nan 4.420 nan 0.000 0.216 858 P C 0.229 177.553 177.300 0.040 0.000 1.153 858 P CA 1.301 64.429 63.100 0.047 0.000 0.858 858 P CB 0.363 32.099 31.700 0.060 0.000 0.789 859 D N -1.574 118.863 120.400 0.061 0.000 2.350 859 D HA 0.103 4.740 4.640 -0.004 0.000 0.213 859 D C 1.237 177.476 176.300 -0.101 0.000 1.031 859 D CA 0.382 54.439 54.000 0.095 0.000 0.861 859 D CB -0.372 40.570 40.800 0.237 0.000 0.926 859 D HN 0.077 nan 8.370 nan 0.000 0.520 860 G N 1.814 110.550 108.800 -0.108 0.000 2.444 860 G HA2 0.329 4.286 3.960 -0.004 0.000 0.268 860 G HA3 0.329 4.286 3.960 -0.004 0.000 0.268 860 G C -2.466 172.264 174.900 -0.283 0.000 1.203 860 G CA -1.012 43.976 45.100 -0.186 0.000 0.835 860 G HN -0.104 nan 8.290 nan 0.000 0.543 861 P HA 0.091 nan 4.420 nan 0.000 0.269 861 P C -0.178 176.848 177.300 -0.457 0.000 1.252 861 P CA 0.100 62.839 63.100 -0.603 0.000 0.780 861 P CB -0.165 31.244 31.700 -0.485 0.000 0.829 862 F N 2.418 122.201 119.950 -0.278 0.000 3.069 862 F HA -0.262 4.263 4.527 -0.004 0.000 0.285 862 F C 1.451 177.215 175.800 -0.059 0.000 0.827 862 F CA 0.936 58.755 58.000 -0.301 0.000 1.108 862 F CB -2.565 35.956 39.000 -0.798 0.000 1.252 862 F HN 0.613 nan 8.300 nan 0.000 0.483 863 G N -1.231 107.607 108.800 0.064 0.000 2.179 863 G HA2 0.066 4.023 3.960 -0.004 0.000 0.220 863 G HA3 0.066 4.023 3.960 -0.004 0.000 0.220 863 G C 0.221 175.206 174.900 0.141 0.000 0.990 863 G CA -0.205 44.959 45.100 0.106 0.000 0.646 863 G HN 1.508 nan 8.290 nan 0.000 0.517 864 A N 0.575 123.511 122.820 0.194 0.000 2.440 864 A HA 0.744 5.062 4.320 -0.004 0.000 0.251 864 A C 0.963 178.590 177.584 0.071 0.000 1.089 864 A CA 1.059 53.206 52.037 0.183 0.000 0.779 864 A CB 0.438 19.623 19.000 0.308 0.000 1.022 864 A HN 1.923 nan 8.150 nan 0.000 0.492 865 S N 1.934 117.668 115.700 0.056 0.000 2.738 865 S HA 0.762 5.229 4.470 -0.004 0.000 0.284 865 S C 0.706 175.303 174.600 -0.004 0.000 1.146 865 S CA -0.171 58.037 58.200 0.014 0.000 0.997 865 S CB 0.771 63.985 63.200 0.024 0.000 1.081 865 S HN 1.363 nan 8.310 nan 0.000 0.553 866 G N -1.273 107.507 108.800 -0.033 0.000 2.588 866 G HA2 0.449 4.407 3.960 -0.004 0.000 0.278 866 G HA3 0.449 4.407 3.960 -0.004 0.000 0.278 866 G C 0.271 175.161 174.900 -0.016 0.000 1.307 866 G CA -0.009 45.075 45.100 -0.027 0.000 1.016 866 G HN 1.221 nan 8.290 nan 0.000 0.503 867 V N -1.218 118.690 119.914 -0.010 0.000 3.221 867 V HA 0.243 4.360 4.120 -0.004 0.000 0.254 867 V C 2.311 178.398 176.094 -0.012 0.000 1.586 867 V CA 1.666 63.961 62.300 -0.008 0.000 1.074 867 V CB -0.261 31.559 31.823 -0.005 0.000 0.912 867 V HN 0.952 nan 8.190 nan 0.000 0.426 868 G N 0.801 109.593 108.800 -0.012 0.000 2.703 868 G HA2 -0.332 3.626 3.960 -0.004 0.000 0.222 868 G HA3 -0.332 3.626 3.960 -0.004 0.000 0.222 868 G C 1.082 175.964 174.900 -0.030 0.000 1.183 868 G CA 1.804 46.891 45.100 -0.022 0.000 0.775 868 G HN 0.644 nan 8.290 nan 0.000 0.615 869 E N -0.286 119.882 120.200 -0.053 0.000 2.472 869 E HA 0.226 4.574 4.350 -0.004 0.000 0.196 869 E C 2.148 178.671 176.600 -0.128 0.000 1.033 869 E CA -0.398 55.926 56.400 -0.126 0.000 0.886 869 E CB 0.179 29.718 29.700 -0.268 0.000 0.944 869 E HN 0.315 nan 8.360 nan 0.000 0.492 870 L N 2.745 123.938 121.223 -0.050 0.000 1.990 870 L HA -0.124 4.213 4.340 -0.004 0.000 0.213 870 L C -0.942 175.995 176.870 0.111 0.000 1.072 870 L CA 2.051 56.890 54.840 -0.002 0.000 0.755 870 L CB -0.740 41.310 42.059 -0.015 0.000 0.889 870 L HN 0.053 nan 8.230 nan 0.000 0.432 871 P HA -0.144 nan 4.420 nan 0.000 0.239 871 P C 1.490 178.920 177.300 0.217 0.000 1.184 871 P CA 1.288 64.532 63.100 0.239 0.000 0.760 871 P CB 0.041 31.805 31.700 0.107 0.000 0.884 872 L N -0.722 120.530 121.223 0.049 0.000 2.858 872 L HA 0.099 4.436 4.340 -0.004 0.000 0.251 872 L C 2.096 178.882 176.870 -0.140 0.000 1.149 872 L CA 0.399 55.184 54.840 -0.092 0.000 0.955 872 L CB -0.188 41.779 42.059 -0.154 0.000 1.289 872 L HN -0.061 nan 8.230 nan 0.000 0.542 873 T N -2.790 111.702 114.554 -0.103 0.000 2.652 873 T HA -0.163 4.185 4.350 -0.004 0.000 0.267 873 T C 1.231 175.806 174.700 -0.209 0.000 1.039 873 T CA 1.541 63.542 62.100 -0.163 0.000 1.153 873 T CB -0.314 68.510 68.868 -0.074 0.000 0.863 873 T HN 0.403 nan 8.240 nan 0.000 0.428 874 S N -0.116 115.287 115.700 -0.495 0.000 3.093 874 S HA 0.344 4.811 4.470 -0.004 0.000 0.251 874 S C -1.814 172.063 174.600 -1.206 0.000 0.905 874 S CA -0.657 57.039 58.200 -0.840 0.000 1.124 874 S CB 0.928 63.824 63.200 -0.506 0.000 1.124 874 S HN 0.315 nan 8.310 nan 0.000 0.574 875 P HA -0.171 nan 4.420 nan 0.000 0.218 875 P C 1.419 178.489 177.300 -0.384 0.000 1.149 875 P CA 1.506 64.059 63.100 -0.913 0.000 0.817 875 P CB -0.437 30.990 31.700 -0.455 0.000 0.785 876 H N -0.244 118.626 119.070 -0.333 0.000 2.457 876 H HA 0.173 4.727 4.556 -0.004 0.000 0.294 876 H C 1.809 177.135 175.328 -0.005 0.000 1.064 876 H CA 1.207 57.147 56.048 -0.179 0.000 1.330 876 H CB -1.281 28.330 29.762 -0.251 0.000 1.395 876 H HN 0.059 nan 8.280 nan 0.000 0.541 877 A N 1.944 124.528 122.820 -0.393 0.000 1.873 877 A HA 0.073 4.390 4.320 -0.004 0.000 0.215 877 A C 2.805 180.274 177.584 -0.191 0.000 1.186 877 A CA 1.820 53.703 52.037 -0.256 0.000 0.616 877 A CB -1.022 17.724 19.000 -0.424 0.000 0.823 877 A HN 0.543 nan 8.150 nan 0.000 0.442 878 A N -0.024 122.671 122.820 -0.209 0.000 1.908 878 A HA -0.116 4.202 4.320 -0.004 0.000 0.218 878 A C 2.107 179.664 177.584 -0.044 0.000 1.181 878 A CA 1.635 53.615 52.037 -0.094 0.000 0.627 878 A CB -0.655 18.320 19.000 -0.042 0.000 0.818 878 A HN 0.501 nan 8.150 nan 0.000 0.445 879 I N -1.013 119.530 120.570 -0.046 0.000 2.179 879 I HA -0.238 3.929 4.170 -0.004 0.000 0.242 879 I C 2.205 178.325 176.117 0.006 0.000 1.088 879 I CA 1.178 62.473 61.300 -0.008 0.000 1.357 879 I CB -0.255 37.740 38.000 -0.007 0.000 1.051 879 I HN 0.227 nan 8.210 nan 0.000 0.409 880 I N 0.818 121.402 120.570 0.023 0.000 2.315 880 I HA -0.254 3.913 4.170 -0.004 0.000 0.248 880 I C 2.043 178.146 176.117 -0.023 0.000 1.117 880 I CA 1.642 62.962 61.300 0.033 0.000 1.404 880 I CB -0.690 37.402 38.000 0.152 0.000 1.071 880 I HN 0.213 nan 8.210 nan 0.000 0.419 881 N N 0.082 118.752 118.700 -0.050 0.000 2.166 881 N HA -0.165 4.572 4.740 -0.004 0.000 0.186 881 N C 1.920 177.427 175.510 -0.005 0.000 1.019 881 N CA 1.038 54.060 53.050 -0.046 0.000 0.856 881 N CB -0.171 38.283 38.487 -0.055 0.000 0.993 881 N HN 0.373 nan 8.380 nan 0.000 0.426 882 A N 1.075 123.900 122.820 0.009 0.000 1.930 882 A HA -0.072 4.246 4.320 -0.004 0.000 0.217 882 A C 2.090 179.685 177.584 0.019 0.000 1.175 882 A CA 0.916 52.969 52.037 0.027 0.000 0.627 882 A CB -0.488 18.532 19.000 0.034 0.000 0.815 882 A HN 0.179 nan 8.150 nan 0.000 0.443 883 I N -0.429 120.148 120.570 0.010 0.000 2.226 883 I HA -0.248 3.919 4.170 -0.004 0.000 0.245 883 I C 2.482 178.601 176.117 0.003 0.000 1.100 883 I CA 1.831 63.136 61.300 0.009 0.000 1.374 883 I CB -0.115 37.890 38.000 0.009 0.000 1.057 883 I HN 0.332 nan 8.210 nan 0.000 0.413 884 K N 0.988 121.383 120.400 -0.008 0.000 2.057 884 K HA -0.195 4.122 4.320 -0.004 0.000 0.207 884 K C 2.240 178.842 176.600 0.004 0.000 1.049 884 K CA 2.097 58.377 56.287 -0.012 0.000 0.931 884 K CB -0.509 31.971 32.500 -0.034 0.000 0.714 884 K HN 0.186 nan 8.250 nan 0.000 0.440 885 S N -0.448 115.259 115.700 0.012 0.000 2.382 885 S HA -0.087 4.380 4.470 -0.004 0.000 0.228 885 S C 2.031 176.641 174.600 0.015 0.000 1.027 885 S CA 1.228 59.441 58.200 0.021 0.000 0.991 885 S CB -0.520 62.703 63.200 0.038 0.000 0.823 885 S HN 0.450 nan 8.310 nan 0.000 0.469 886 A N 0.516 123.345 122.820 0.015 0.000 1.929 886 A HA 0.044 4.361 4.320 -0.004 0.000 0.216 886 A C 2.325 179.916 177.584 0.011 0.000 1.176 886 A CA 2.001 54.046 52.037 0.014 0.000 0.628 886 A CB -0.788 18.223 19.000 0.018 0.000 0.816 886 A HN 0.840 nan 8.150 nan 0.000 0.444 887 T N -7.056 107.504 114.554 0.009 0.000 3.041 887 T HA 0.443 4.791 4.350 -0.004 0.000 0.276 887 T C 1.327 176.033 174.700 0.010 0.000 0.948 887 T CA 1.017 63.122 62.100 0.008 0.000 0.885 887 T CB 0.403 69.275 68.868 0.006 0.000 1.175 887 T HN 1.766 nan 8.240 nan 0.000 0.529 888 G N 1.658 110.464 108.800 0.010 0.000 2.205 888 G HA2 -0.242 3.715 3.960 -0.004 0.000 0.261 888 G HA3 -0.242 3.715 3.960 -0.004 0.000 0.261 888 G C 0.150 175.059 174.900 0.015 0.000 0.980 888 G CA 0.313 45.421 45.100 0.014 0.000 0.632 888 G HN 1.623 nan 8.290 nan 0.000 0.533 889 V N -1.732 118.189 119.914 0.011 0.000 2.439 889 V HA 0.838 4.956 4.120 -0.004 0.000 0.282 889 V C 0.281 176.361 176.094 -0.022 0.000 1.039 889 V CA -0.861 61.447 62.300 0.013 0.000 0.913 889 V CB 1.661 33.499 31.823 0.025 0.000 0.983 889 V HN 0.525 nan 8.190 nan 0.000 0.460 890 R N 4.784 125.249 120.500 -0.058 0.000 2.295 890 R HA 0.555 4.893 4.340 -0.004 0.000 0.324 890 R C -0.843 175.312 176.300 -0.242 0.000 0.968 890 R CA -0.787 55.180 56.100 -0.221 0.000 0.837 890 R CB 1.095 31.134 30.300 -0.436 0.000 1.133 890 R HN 0.774 nan 8.270 nan 0.000 0.450 891 I N 6.507 126.997 120.570 -0.133 0.000 2.379 891 I HA 0.039 4.206 4.170 -0.004 0.000 0.290 891 I C 0.195 176.333 176.117 0.036 0.000 1.063 891 I CA 0.065 61.367 61.300 0.003 0.000 1.351 891 I CB 0.461 38.501 38.000 0.067 0.000 1.410 891 I HN 0.823 nan 8.210 nan 0.000 0.505 892 Y N 5.458 125.897 120.300 0.233 0.000 2.476 892 Y HA 0.187 4.735 4.550 -0.004 0.000 0.283 892 Y C 0.878 177.044 175.900 0.442 0.000 1.109 892 Y CA 0.270 58.569 58.100 0.332 0.000 1.246 892 Y CB 0.296 38.795 38.460 0.066 0.000 1.068 892 Y HN 0.362 nan 8.280 nan 0.000 0.552 893 R N 1.125 121.872 120.500 0.412 0.000 2.337 893 R HA 0.409 4.746 4.340 -0.004 0.000 0.319 893 R C -1.138 175.256 176.300 0.158 0.000 0.954 893 R CA -0.386 55.912 56.100 0.331 0.000 0.840 893 R CB 1.363 31.807 30.300 0.240 0.000 1.164 893 R HN 0.046 nan 8.270 nan 0.000 0.472 894 L N 4.675 125.908 121.223 0.018 0.000 2.417 894 L HA 0.355 4.693 4.340 -0.004 0.000 0.268 894 L C -1.730 175.048 176.870 -0.154 0.000 1.158 894 L CA -1.755 52.969 54.840 -0.193 0.000 0.819 894 L CB 0.445 42.222 42.059 -0.469 0.000 1.112 894 L HN 0.294 nan 8.230 nan 0.000 0.458 895 P HA 0.185 nan 4.420 nan 0.000 0.280 895 P C -1.071 175.976 177.300 -0.423 0.000 1.272 895 P CA -0.743 62.083 63.100 -0.458 0.000 0.819 895 P CB 1.122 32.445 31.700 -0.628 0.000 1.122 896 A N 1.695 124.365 122.820 -0.250 0.000 3.037 896 A HA 0.182 4.499 4.320 -0.004 0.000 0.272 896 A C 0.011 177.560 177.584 -0.059 0.000 1.723 896 A CA -0.383 51.591 52.037 -0.105 0.000 1.413 896 A CB -1.931 17.049 19.000 -0.033 0.000 1.112 896 A HN 0.423 nan 8.150 nan 0.000 0.606 897 Y N 0.831 121.144 120.300 0.021 0.000 2.702 897 Y HA -0.014 4.534 4.550 -0.004 0.000 0.336 897 Y C -1.011 174.903 175.900 0.023 0.000 1.235 897 Y CA -1.264 56.849 58.100 0.022 0.000 1.492 897 Y CB 0.342 38.819 38.460 0.028 0.000 1.308 897 Y HN 0.472 nan 8.280 nan 0.000 0.589 898 P HA -0.260 nan 4.420 nan 0.000 0.215 898 P C 1.275 178.630 177.300 0.092 0.000 1.157 898 P CA 1.884 65.050 63.100 0.110 0.000 0.874 898 P CB 0.160 31.910 31.700 0.083 0.000 0.790 899 E N -0.016 120.239 120.200 0.092 0.000 2.058 899 E HA -0.255 4.092 4.350 -0.004 0.000 0.194 899 E C 2.125 178.774 176.600 0.082 0.000 0.997 899 E CA 1.253 57.691 56.400 0.064 0.000 0.801 899 E CB -0.252 29.469 29.700 0.035 0.000 0.746 899 E HN 0.060 nan 8.360 nan 0.000 0.450 900 K N 0.184 120.663 120.400 0.131 0.000 2.032 900 K HA -0.162 4.156 4.320 -0.004 0.000 0.209 900 K C 2.099 178.753 176.600 0.091 0.000 1.048 900 K CA 1.585 57.946 56.287 0.125 0.000 0.927 900 K CB -0.054 32.548 32.500 0.171 0.000 0.712 900 K HN 0.057 nan 8.250 nan 0.000 0.441 901 V N 1.890 121.855 119.914 0.084 0.000 2.295 901 V HA -0.272 3.845 4.120 -0.004 0.000 0.246 901 V C 2.415 178.536 176.094 0.045 0.000 1.049 901 V CA 1.605 63.940 62.300 0.058 0.000 1.024 901 V CB -0.376 31.476 31.823 0.049 0.000 0.648 901 V HN 0.369 nan 8.190 nan 0.000 0.447 902 L N -0.341 120.908 121.223 0.042 0.000 2.043 902 L HA -0.266 4.071 4.340 -0.004 0.000 0.212 902 L C 2.662 179.550 176.870 0.030 0.000 1.075 902 L CA 1.960 56.817 54.840 0.028 0.000 0.752 902 L CB -0.501 41.573 42.059 0.024 0.000 0.891 902 L HN 0.440 nan 8.230 nan 0.000 0.432 903 E N -0.502 119.722 120.200 0.039 0.000 2.110 903 E HA -0.225 4.122 4.350 -0.004 0.000 0.193 903 E C 2.183 178.807 176.600 0.040 0.000 0.988 903 E CA 1.183 57.606 56.400 0.038 0.000 0.804 903 E CB -0.115 29.612 29.700 0.044 0.000 0.745 903 E HN 0.533 nan 8.360 nan 0.000 0.458 904 A N 0.800 123.649 122.820 0.049 0.000 1.897 904 A HA -0.125 4.192 4.320 -0.004 0.000 0.215 904 A C 2.042 179.650 177.584 0.040 0.000 1.181 904 A CA 0.720 52.789 52.037 0.053 0.000 0.620 904 A CB -0.347 18.693 19.000 0.067 0.000 0.821 904 A HN 0.132 nan 8.150 nan 0.000 0.443 905 L N -0.253 120.989 121.223 0.031 0.000 2.079 905 L HA -0.115 4.223 4.340 -0.004 0.000 0.210 905 L C 1.796 178.677 176.870 0.017 0.000 1.081 905 L CA 1.966 56.818 54.840 0.020 0.000 0.752 905 L CB -0.614 41.452 42.059 0.012 0.000 0.896 905 L HN 0.390 nan 8.230 nan 0.000 0.433 906 K N -1.441 118.970 120.400 0.019 0.000 2.358 906 K HA 0.299 4.617 4.320 -0.004 0.000 0.197 906 K C 0.865 177.475 176.600 0.017 0.000 1.025 906 K CA 0.112 56.408 56.287 0.015 0.000 1.104 906 K CB 0.408 32.915 32.500 0.012 0.000 0.855 906 K HN 0.217 nan 8.250 nan 0.000 0.531 907 A N 0.000 122.833 122.820 0.022 0.000 2.254 907 A HA 0.000 4.317 4.320 -0.004 0.000 0.244 907 A CA 0.000 52.051 52.037 0.023 0.000 0.836 907 A CB 0.000 19.018 19.000 0.031 0.000 0.831 907 A HN 0.000 nan 8.150 nan 0.000 0.486