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 3an1_1_B DATA FIRST_RESID 3 DATA SEQUENCE ADELVFFVNG KKVVEKNADP ETTLLVYLRR KLGLCGTKLG CGEGGCGACT DATA SEQUENCE VMISKYDRLQ NKIVHFSVNA CLAPICSLHH VAVTTVEGIG NTQKLHPVQE DATA SEQUENCE RIARSHGSQC GFCTPGIVMS MYTLLRNQPE PTVEEIENAF QGNLCRCTGY DATA SEQUENCE RPILQGFRTF AKXXXXXXXX XXXXXXXXXX XXXXXXXXSP SLFNPEDFKP DATA SEQUENCE LDPTQEPIFP PELLRLKDTP QKKLRFEGER VTWIQASTME ELLDLKAQHP DATA SEQUENCE DAKLVVGNTE IGIEMKFKNM LFPLIVCPAW IPELNSVVHG PEGISFGASC DATA SEQUENCE PLSLVESVLA EEIAKLPEQK TEVFRGVMEQ LRWFAGKQVK SVASIGGNII DATA SEQUENCE TASPISDLNP VFMASGAKLT LVSRGTRRTV RMDHTFFPGY RKTLLRPEEI DATA SEQUENCE LLSIEIPYSK EGEFFSAFKQ ASRREADIAK VTSGMRVLFK PGTIEVQELS DATA SEQUENCE LCFGGMADRT ISALKTTPKQ LSKSWNEELL QSVCAGLAEE LQLAPDAPGG DATA SEQUENCE MVEFRRTLTL SFFFKFYLTV LQKLGRADLE DMCGKLDPTF ASATLLFQKD DATA SEQUENCE PPANVQLFQE VPKDQSEEDM VGRPLPHLAA NMQASGEAVY CDDIPRYENE DATA SEQUENCE LSLRLVTSTR AHAKITSIDT SEAKKVPGFV CFLTAEDVPN SNATGLFNDE DATA SEQUENCE TVFAKDEVTC VGHIIGAVVA DTPEHAQRAA RGVKITYEDL PAIITIQDAI DATA SEQUENCE NNNSFYGSEI KIEKGDLKKG FSEADNVVSG ELYIGGQEHF YLETNCTIAV DATA SEQUENCE PKGEAGEMEL FVSTQNTMKT QSFVAKMLGV PDNRIVVRVK RMGGGFGGKE DATA SEQUENCE TRSTVVSTAL ALAAHKTGRP VRCMLDRDED MLITGGRHPF LAKYKVGFMK DATA SEQUENCE TGTVVALEVA HFSNGGNTED LSRSIMERAL FHMDNAYKIP NIRGTGRICK DATA SEQUENCE TNLPSNTAFR GFGGPQGMLI AEYWMSEVAI TCGLPAEEVR RKNMYKEGDL DATA SEQUENCE THFNQKLEGF TLPRCWDECI ASSQYLARKR EVEKFNRENC WKKRGLCIIP DATA SEQUENCE TKFGISFTLP FLNQGGALVH VYTDGSVLLT HGGTEMGQGL HTKMVQVASR DATA SEQUENCE ALKIPTSKIH ISETSTNTVP NTSPTAASAS ADLNGQGVYE ACQTILKRLE DATA SEQUENCE PFKKKKPTGP WEAWVMDAYT SAVSLSATGF YKTPNLGYSF ETNSGNPFHY DATA SEQUENCE FSYGVACSEV EIDCLTGDHK NLRTDIVMDV GSSLNPAIDI GQVEGAFVQG DATA SEQUENCE LGLFTMEELH YSPEGSLHTR GPSTYKIPAF GSIPIEFRVS LLRDCPNKRA DATA SEQUENCE IYASKAVGEP PLFLASSIFF AIKDAIRAAR AQHGDNAKQL FQLDSPATPE DATA SEQUENCE KIRNACVDQF TTLCVTGV 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.450 177.584 -0.223 0.000 1.274 3 A CA 0.000 51.986 52.037 -0.086 0.000 0.836 3 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 4 D N -1.324 118.915 120.400 -0.270 0.000 1.696 4 D HA -0.050 4.590 4.640 -0.000 0.000 0.209 4 D C -0.706 175.684 176.300 0.150 0.000 1.312 4 D CA 0.403 54.376 54.000 -0.046 0.000 0.485 4 D CB -0.874 39.916 40.800 -0.017 0.000 3.288 4 D HN 0.408 nan 8.370 nan 0.000 0.198 5 E N 1.079 121.381 120.200 0.169 0.000 2.331 5 E HA 0.403 4.752 4.350 -0.000 0.000 0.272 5 E C -0.405 176.425 176.600 0.383 0.000 1.036 5 E CA -0.449 56.095 56.400 0.241 0.000 0.864 5 E CB 1.891 31.699 29.700 0.181 0.000 1.035 5 E HN 0.152 nan 8.360 nan 0.000 0.408 6 L N 3.519 124.949 121.223 0.343 0.000 2.282 6 L HA 0.340 4.680 4.340 -0.000 0.000 0.288 6 L C -1.282 175.801 176.870 0.356 0.000 1.033 6 L CA -0.540 54.515 54.840 0.358 0.000 0.807 6 L CB 1.445 43.459 42.059 -0.075 0.000 1.209 6 L HN 0.237 nan 8.230 nan 0.000 0.423 7 V N 7.012 127.224 119.914 0.496 0.000 2.525 7 V HA 0.617 4.737 4.120 -0.000 0.000 0.299 7 V C -0.455 175.779 176.094 0.234 0.000 1.034 7 V CA -0.397 62.013 62.300 0.183 0.000 0.863 7 V CB 1.079 33.006 31.823 0.173 0.000 0.999 7 V HN 0.746 nan 8.190 nan 0.000 0.423 8 F N 2.477 122.371 119.950 -0.094 0.000 2.754 8 F HA 0.876 5.403 4.527 -0.000 0.000 0.320 8 F C -1.750 173.947 175.800 -0.171 0.000 1.156 8 F CA -1.413 56.586 58.000 -0.002 0.000 0.950 8 F CB 1.454 40.475 39.000 0.034 0.000 1.388 8 F HN 0.226 nan 8.300 nan 0.000 0.485 9 F N 1.008 121.007 119.950 0.082 0.000 2.508 9 F HA 0.729 5.256 4.527 -0.000 0.000 0.325 9 F C -0.609 175.216 175.800 0.043 0.000 1.090 9 F CA -1.192 56.775 58.000 -0.054 0.000 0.945 9 F CB 2.273 41.224 39.000 -0.081 0.000 1.156 9 F HN 0.328 nan 8.300 nan 0.000 0.463 10 V N 3.315 123.288 119.914 0.098 0.000 2.443 10 V HA 0.292 4.411 4.120 -0.000 0.000 0.293 10 V C -0.509 175.633 176.094 0.079 0.000 1.021 10 V CA -1.300 61.068 62.300 0.114 0.000 0.848 10 V CB 1.391 33.265 31.823 0.085 0.000 0.998 10 V HN 0.825 nan 8.190 nan 0.000 0.424 11 N N 4.052 122.797 118.700 0.075 0.000 2.727 11 N HA -0.224 4.516 4.740 -0.000 0.000 0.249 11 N C 1.215 176.756 175.510 0.052 0.000 1.048 11 N CA 1.628 54.702 53.050 0.039 0.000 0.714 11 N CB -1.088 37.405 38.487 0.010 0.000 0.959 11 N HN 1.565 nan 8.380 nan 0.000 0.544 12 G N -1.229 107.626 108.800 0.092 0.000 2.205 12 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.261 12 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.261 12 G C 0.033 175.054 174.900 0.201 0.000 0.980 12 G CA 0.867 46.028 45.100 0.103 0.000 0.632 12 G HN 0.715 nan 8.290 nan 0.000 0.533 13 K N 0.911 121.395 120.400 0.140 0.000 2.156 13 K HA 0.546 4.866 4.320 -0.000 0.000 0.271 13 K C 0.421 176.936 176.600 -0.142 0.000 0.995 13 K CA -0.805 55.506 56.287 0.040 0.000 0.890 13 K CB 0.685 33.167 32.500 -0.030 0.000 1.073 13 K HN 0.128 nan 8.250 nan 0.000 0.454 14 K N 3.168 123.343 120.400 -0.375 0.000 2.368 14 K HA 0.129 4.449 4.320 -0.000 0.000 0.282 14 K C -1.134 175.111 176.600 -0.590 0.000 1.035 14 K CA -0.442 55.272 56.287 -0.956 0.000 0.973 14 K CB 0.784 32.816 32.500 -0.781 0.000 0.957 14 K HN 0.334 nan 8.250 nan 0.000 0.474 15 V N 5.159 124.642 119.914 -0.719 0.000 2.384 15 V HA 0.267 4.387 4.120 -0.000 0.000 0.287 15 V C -0.632 175.170 176.094 -0.488 0.000 1.020 15 V CA -0.891 61.056 62.300 -0.588 0.000 0.850 15 V CB 1.694 32.989 31.823 -0.880 0.000 0.987 15 V HN 0.506 nan 8.190 nan 0.000 0.436 16 V N 4.091 123.854 119.914 -0.253 0.000 2.326 16 V HA 0.428 4.547 4.120 -0.000 0.000 0.281 16 V C -0.260 175.810 176.094 -0.040 0.000 1.015 16 V CA -0.592 61.636 62.300 -0.121 0.000 0.823 16 V CB 1.614 33.395 31.823 -0.070 0.000 1.009 16 V HN 0.935 nan 8.190 nan 0.000 0.436 17 E N 4.074 124.275 120.200 0.002 0.000 2.081 17 E HA 0.360 4.710 4.350 -0.000 0.000 0.276 17 E C 0.560 177.206 176.600 0.077 0.000 0.950 17 E CA -0.211 56.225 56.400 0.060 0.000 0.776 17 E CB 1.323 31.053 29.700 0.050 0.000 1.094 17 E HN 0.512 nan 8.360 nan 0.000 0.402 18 K N 3.117 123.564 120.400 0.078 0.000 2.418 18 K HA 0.167 4.487 4.320 -0.000 0.000 0.195 18 K C -0.037 176.624 176.600 0.103 0.000 1.035 18 K CA 0.286 56.627 56.287 0.089 0.000 1.003 18 K CB 0.352 32.891 32.500 0.065 0.000 0.793 18 K HN 0.348 nan 8.250 nan 0.000 0.494 19 N N 0.825 119.580 118.700 0.092 0.000 2.664 19 N HA 0.142 4.882 4.740 -0.000 0.000 0.287 19 N C -1.332 174.220 175.510 0.069 0.000 1.869 19 N CA -0.094 53.012 53.050 0.094 0.000 0.832 19 N CB 1.480 40.012 38.487 0.076 0.000 1.293 19 N HN 0.028 nan 8.380 nan 0.000 0.498 20 A N 0.552 123.388 122.820 0.027 0.000 2.511 20 A HA 0.075 4.394 4.320 -0.000 0.000 0.242 20 A C 0.272 177.812 177.584 -0.073 0.000 1.069 20 A CA 0.298 52.259 52.037 -0.127 0.000 0.763 20 A CB 0.428 19.123 19.000 -0.507 0.000 1.001 20 A HN 0.284 nan 8.150 nan 0.000 0.498 21 D N 2.650 123.006 120.400 -0.073 0.000 2.232 21 D HA 0.350 4.990 4.640 -0.000 0.000 0.242 21 D C -1.922 174.321 176.300 -0.094 0.000 1.093 21 D CA -1.798 52.188 54.000 -0.024 0.000 0.845 21 D CB 1.681 42.488 40.800 0.011 0.000 1.124 21 D HN 0.121 nan 8.370 nan 0.000 0.467 22 P HA -0.055 nan 4.420 nan 0.000 0.225 22 P C 0.506 177.810 177.300 0.007 0.000 1.148 22 P CA 0.922 64.001 63.100 -0.035 0.000 0.779 22 P CB 0.359 32.211 31.700 0.254 0.000 0.780 23 E N -1.648 118.571 120.200 0.032 0.000 2.478 23 E HA 0.017 4.367 4.350 -0.000 0.000 0.194 23 E C 0.087 176.689 176.600 0.004 0.000 1.045 23 E CA 0.333 56.760 56.400 0.044 0.000 0.868 23 E CB -0.220 29.512 29.700 0.054 0.000 0.885 23 E HN 0.188 nan 8.360 nan 0.000 0.505 24 T N 2.358 116.890 114.554 -0.036 0.000 2.779 24 T HA 0.071 4.421 4.350 -0.000 0.000 0.296 24 T C 0.379 175.049 174.700 -0.051 0.000 0.938 24 T CA -0.163 61.924 62.100 -0.021 0.000 1.119 24 T CB 0.855 69.721 68.868 -0.002 0.000 0.891 24 T HN 0.154 nan 8.240 nan 0.000 0.526 25 T N 1.612 116.164 114.554 -0.003 0.000 2.849 25 T HA 0.273 4.623 4.350 -0.000 0.000 0.284 25 T C 1.398 176.104 174.700 0.009 0.000 1.004 25 T CA -0.977 61.119 62.100 -0.007 0.000 1.021 25 T CB 0.664 69.552 68.868 0.033 0.000 1.013 25 T HN 0.267 nan 8.240 nan 0.000 0.527 26 L N 1.306 122.516 121.223 -0.022 0.000 2.083 26 L HA 0.076 4.415 4.340 -0.000 0.000 0.209 26 L C 2.135 179.057 176.870 0.088 0.000 1.083 26 L CA 1.475 56.319 54.840 0.007 0.000 0.752 26 L CB -1.292 40.742 42.059 -0.042 0.000 0.899 26 L HN 0.781 nan 8.230 nan 0.000 0.433 27 L N -1.245 120.018 121.223 0.067 0.000 1.994 27 L HA -0.156 4.183 4.340 -0.000 0.000 0.208 27 L C 2.396 179.309 176.870 0.072 0.000 1.071 27 L CA 1.927 56.808 54.840 0.068 0.000 0.745 27 L CB -0.796 41.302 42.059 0.065 0.000 0.892 27 L HN 0.096 nan 8.230 nan 0.000 0.431 28 V N -1.079 118.879 119.914 0.073 0.000 2.343 28 V HA -0.336 3.784 4.120 -0.000 0.000 0.247 28 V C 2.290 178.424 176.094 0.067 0.000 1.051 28 V CA 2.098 64.432 62.300 0.057 0.000 1.036 28 V CB -0.905 30.945 31.823 0.046 0.000 0.654 28 V HN 0.591 nan 8.190 nan 0.000 0.451 29 Y N 0.220 120.521 120.300 0.002 0.000 2.145 29 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 29 Y C 2.249 178.167 175.900 0.030 0.000 1.145 29 Y CA 1.735 59.847 58.100 0.020 0.000 1.148 29 Y CB -0.188 38.301 38.460 0.049 0.000 0.981 29 Y HN 0.130 nan 8.280 nan 0.000 0.507 30 L N -0.530 120.806 121.223 0.188 0.000 2.017 30 L HA -0.255 4.084 4.340 -0.000 0.000 0.208 30 L C 2.583 179.453 176.870 -0.001 0.000 1.073 30 L CA 1.715 56.616 54.840 0.101 0.000 0.745 30 L CB -0.470 41.647 42.059 0.098 0.000 0.894 30 L HN 0.133 nan 8.230 nan 0.000 0.432 31 R N -0.905 119.593 120.500 -0.002 0.000 2.062 31 R HA -0.028 4.312 4.340 -0.000 0.000 0.229 31 R C 2.450 178.716 176.300 -0.057 0.000 1.128 31 R CA 0.802 56.890 56.100 -0.021 0.000 0.960 31 R CB -0.088 30.212 30.300 0.000 0.000 0.855 31 R HN 0.225 nan 8.270 nan 0.000 0.432 32 R N 0.404 120.857 120.500 -0.079 0.000 2.090 32 R HA 0.046 4.386 4.340 -0.000 0.000 0.219 32 R C 2.019 178.216 176.300 -0.173 0.000 1.100 32 R CA 0.903 56.942 56.100 -0.102 0.000 0.991 32 R CB -0.180 30.071 30.300 -0.083 0.000 0.893 32 R HN -0.022 nan 8.270 nan 0.000 0.443 33 K N 0.915 121.136 120.400 -0.299 0.000 2.067 33 K HA 0.135 4.454 4.320 -0.000 0.000 0.203 33 K C 1.863 178.268 176.600 -0.325 0.000 1.048 33 K CA 1.003 57.028 56.287 -0.437 0.000 0.954 33 K CB -0.043 31.859 32.500 -0.996 0.000 0.737 33 K HN 0.038 nan 8.250 nan 0.000 0.444 34 L N -1.000 120.061 121.223 -0.270 0.000 2.585 34 L HA 0.277 4.617 4.340 -0.000 0.000 0.226 34 L C 0.963 177.777 176.870 -0.093 0.000 1.113 34 L CA 0.380 55.132 54.840 -0.146 0.000 0.876 34 L CB 0.059 42.081 42.059 -0.063 0.000 1.072 34 L HN 0.533 nan 8.230 nan 0.000 0.468 35 G N 1.126 109.871 108.800 -0.091 0.000 2.155 35 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.257 35 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.257 35 G C 0.210 175.084 174.900 -0.043 0.000 0.983 35 G CA -0.105 44.955 45.100 -0.067 0.000 0.676 35 G HN 0.261 nan 8.290 nan 0.000 0.528 36 L N 0.557 121.761 121.223 -0.031 0.000 2.328 36 L HA 0.308 4.648 4.340 -0.000 0.000 0.280 36 L C 1.294 178.157 176.870 -0.012 0.000 1.111 36 L CA -0.814 54.016 54.840 -0.017 0.000 0.909 36 L CB 0.830 42.887 42.059 -0.004 0.000 1.277 36 L HN 0.214 nan 8.230 nan 0.000 0.433 37 C N 1.449 120.743 119.300 -0.010 0.000 2.754 37 C HA 0.098 4.558 4.460 -0.000 0.000 0.276 37 C C 2.288 177.271 174.990 -0.012 0.000 1.264 37 C CA 0.073 59.090 59.018 -0.003 0.000 1.700 37 C CB -0.828 26.922 27.740 0.017 0.000 1.885 37 C HN 1.027 nan 8.230 nan 0.000 0.607 38 G N 0.812 109.601 108.800 -0.018 0.000 2.422 38 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.218 38 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.218 38 G C 0.792 175.640 174.900 -0.087 0.000 1.146 38 G CA 0.831 45.910 45.100 -0.036 0.000 0.769 38 G HN 0.511 nan 8.290 nan 0.000 0.547 39 T N 2.347 116.862 114.554 -0.066 0.000 2.853 39 T HA 0.370 4.720 4.350 -0.000 0.000 0.298 39 T C 0.037 174.667 174.700 -0.118 0.000 0.978 39 T CA 0.126 62.182 62.100 -0.074 0.000 1.152 39 T CB 1.180 70.035 68.868 -0.023 0.000 0.914 39 T HN -0.006 nan 8.240 nan 0.000 0.539 40 K N 1.995 122.279 120.400 -0.193 0.000 2.238 40 K HA 0.520 4.840 4.320 -0.000 0.000 0.239 40 K C -0.603 175.958 176.600 -0.065 0.000 0.987 40 K CA -1.173 54.945 56.287 -0.281 0.000 0.857 40 K CB 1.943 33.906 32.500 -0.896 0.000 1.154 40 K HN 0.387 nan 8.250 nan 0.000 0.439 41 L N 0.733 121.999 121.223 0.073 0.000 2.257 41 L HA 0.441 4.781 4.340 -0.000 0.000 0.290 41 L C 0.752 177.805 176.870 0.305 0.000 1.044 41 L CA 0.563 55.504 54.840 0.168 0.000 0.810 41 L CB 1.043 43.198 42.059 0.160 0.000 1.193 41 L HN 0.828 nan 8.230 nan 0.000 0.425 42 G N 2.222 111.187 108.800 0.274 0.000 2.944 42 G HA2 0.127 4.086 3.960 -0.000 0.000 0.223 42 G HA3 0.127 4.086 3.960 -0.000 0.000 0.223 42 G C 0.696 175.723 174.900 0.211 0.000 1.071 42 G CA 0.652 45.931 45.100 0.299 0.000 0.806 42 G HN 0.892 nan 8.290 nan 0.000 0.538 43 C N -4.116 115.321 119.300 0.228 0.000 4.811 43 C HA 0.515 4.975 4.460 -0.000 0.000 0.521 43 C C 1.982 177.151 174.990 0.298 0.000 1.226 43 C CA 0.640 59.805 59.018 0.246 0.000 2.495 43 C CB 0.111 28.032 27.740 0.303 0.000 3.413 43 C HN 1.466 nan 8.230 nan 0.000 0.465 44 G N 2.713 111.679 108.800 0.277 0.000 2.166 44 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 44 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 44 G C 0.215 175.369 174.900 0.422 0.000 0.986 44 G CA 1.307 46.594 45.100 0.312 0.000 0.683 44 G HN 1.243 nan 8.290 nan 0.000 0.527 45 E N -1.899 118.491 120.200 0.317 0.000 2.810 45 E HA 0.457 4.807 4.350 -0.000 0.000 0.214 45 E C 1.437 178.130 176.600 0.156 0.000 0.980 45 E CA 0.241 56.774 56.400 0.222 0.000 1.159 45 E CB 0.295 29.945 29.700 -0.083 0.000 1.047 45 E HN 1.481 nan 8.360 nan 0.000 0.484 46 G N 0.520 109.429 108.800 0.180 0.000 2.199 46 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.254 46 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.254 46 G C 1.000 175.992 174.900 0.154 0.000 0.982 46 G CA 0.076 45.272 45.100 0.159 0.000 0.632 46 G HN 0.567 nan 8.290 nan 0.000 0.529 47 G N -0.253 108.642 108.800 0.159 0.000 2.683 47 G HA2 0.202 4.162 3.960 -0.000 0.000 0.213 47 G HA3 0.202 4.162 3.960 -0.000 0.000 0.213 47 G C 1.838 176.852 174.900 0.189 0.000 1.142 47 G CA 2.130 47.321 45.100 0.152 0.000 0.793 47 G HN 1.542 nan 8.290 nan 0.000 0.534 48 C N -1.947 117.495 119.300 0.237 0.000 2.935 48 C HA 0.554 5.013 4.460 -0.000 0.000 0.308 48 C C 2.300 177.448 174.990 0.263 0.000 1.263 48 C CA 0.613 59.801 59.018 0.284 0.000 1.738 48 C CB -0.188 27.778 27.740 0.376 0.000 2.237 48 C HN 1.045 nan 8.230 nan 0.000 0.600 49 G N 1.063 109.997 108.800 0.222 0.000 2.175 49 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.265 49 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.265 49 G C 1.264 176.266 174.900 0.171 0.000 0.979 49 G CA 0.868 46.088 45.100 0.199 0.000 0.663 49 G HN 1.486 nan 8.290 nan 0.000 0.533 50 A N -0.319 122.600 122.820 0.164 0.000 2.019 50 A HA 0.070 4.390 4.320 -0.000 0.000 0.219 50 A C 2.471 180.065 177.584 0.016 0.000 1.164 50 A CA 2.334 54.418 52.037 0.078 0.000 0.644 50 A CB -0.816 18.226 19.000 0.070 0.000 0.805 50 A HN 1.827 nan 8.150 nan 0.000 0.449 51 C N -1.645 117.693 119.300 0.062 0.000 2.614 51 C HA 0.400 4.860 4.460 -0.000 0.000 0.299 51 C C 0.752 175.775 174.990 0.056 0.000 1.293 51 C CA -0.551 58.494 59.018 0.045 0.000 1.713 51 C CB -2.188 25.597 27.740 0.074 0.000 1.890 51 C HN 0.304 nan 8.230 nan 0.000 0.602 52 T N 2.619 117.215 114.554 0.070 0.000 2.901 52 T HA 0.463 4.813 4.350 -0.000 0.000 0.301 52 T C 0.373 175.100 174.700 0.044 0.000 1.012 52 T CA 0.447 62.593 62.100 0.076 0.000 1.135 52 T CB 1.044 69.974 68.868 0.103 0.000 0.936 52 T HN 0.792 nan 8.240 nan 0.000 0.539 53 V N 1.257 121.192 119.914 0.035 0.000 3.158 53 V HA 0.760 4.880 4.120 -0.000 0.000 0.311 53 V C -0.600 175.490 176.094 -0.006 0.000 1.181 53 V CA -1.448 60.856 62.300 0.007 0.000 1.054 53 V CB 2.255 34.081 31.823 0.005 0.000 1.085 53 V HN 0.856 nan 8.190 nan 0.000 0.446 54 M N 2.109 121.695 119.600 -0.025 0.000 2.404 54 M HA 0.643 5.123 4.480 -0.000 0.000 0.338 54 M C -1.631 174.591 176.300 -0.130 0.000 1.150 54 M CA -0.725 54.543 55.300 -0.054 0.000 1.016 54 M CB 1.506 34.131 32.600 0.042 0.000 1.672 54 M HN 0.655 nan 8.290 nan 0.000 0.448 55 I N 2.515 122.863 120.570 -0.370 0.000 2.474 55 I HA 0.460 4.630 4.170 -0.000 0.000 0.294 55 I C -0.541 175.340 176.117 -0.392 0.000 1.005 55 I CA -0.464 60.571 61.300 -0.443 0.000 1.113 55 I CB 1.791 39.281 38.000 -0.850 0.000 1.289 55 I HN 0.637 nan 8.210 nan 0.000 0.436 56 S N 5.635 121.319 115.700 -0.026 0.000 2.536 56 S HA 0.774 5.244 4.470 -0.000 0.000 0.298 56 S C -0.586 174.157 174.600 0.239 0.000 1.083 56 S CA -0.842 57.428 58.200 0.118 0.000 0.995 56 S CB 2.708 66.167 63.200 0.432 0.000 1.058 56 S HN 0.693 nan 8.310 nan 0.000 0.488 57 K N 0.543 120.994 120.400 0.084 0.000 2.579 57 K HA 0.410 4.729 4.320 -0.000 0.000 0.284 57 K C -1.932 174.594 176.600 -0.122 0.000 0.990 57 K CA -0.972 55.440 56.287 0.209 0.000 0.880 57 K CB 0.962 33.624 32.500 0.270 0.000 1.488 57 K HN 0.508 nan 8.250 nan 0.000 0.425 58 Y N 2.009 122.250 120.300 -0.098 0.000 2.365 58 Y HA 0.202 4.752 4.550 -0.000 0.000 0.340 58 Y C -0.667 175.176 175.900 -0.094 0.000 1.016 58 Y CA -0.276 57.698 58.100 -0.211 0.000 1.196 58 Y CB 1.001 39.418 38.460 -0.072 0.000 1.167 58 Y HN 0.698 nan 8.280 nan 0.000 0.509 59 D N 6.124 126.056 120.400 -0.779 0.000 2.313 59 D HA 0.183 4.823 4.640 -0.000 0.000 0.239 59 D C 0.519 176.341 176.300 -0.796 0.000 1.142 59 D CA -0.177 53.495 54.000 -0.547 0.000 0.847 59 D CB 0.898 41.486 40.800 -0.354 0.000 1.082 59 D HN 0.813 nan 8.370 nan 0.000 0.480 60 R N 2.689 122.915 120.500 -0.457 0.000 2.148 60 R HA -0.015 4.325 4.340 -0.000 0.000 0.223 60 R C 1.604 177.806 176.300 -0.163 0.000 1.088 60 R CA 0.574 56.537 56.100 -0.229 0.000 0.985 60 R CB 0.149 30.439 30.300 -0.017 0.000 0.880 60 R HN 0.367 nan 8.270 nan 0.000 0.451 61 L N 0.697 121.820 121.223 -0.165 0.000 2.478 61 L HA -0.086 4.253 4.340 -0.000 0.000 0.223 61 L C 1.234 178.025 176.870 -0.131 0.000 1.140 61 L CA 1.561 56.333 54.840 -0.114 0.000 0.842 61 L CB 0.054 42.060 42.059 -0.089 0.000 0.953 61 L HN 0.162 nan 8.230 nan 0.000 0.452 62 Q N -2.316 117.365 119.800 -0.199 0.000 2.113 62 Q HA 0.191 4.531 4.340 -0.000 0.000 0.225 62 Q C -0.012 175.887 176.000 -0.167 0.000 0.786 62 Q CA -0.155 55.551 55.803 -0.162 0.000 0.989 62 Q CB 0.394 29.040 28.738 -0.154 0.000 1.174 62 Q HN 0.195 nan 8.270 nan 0.000 0.470 63 N N 2.220 120.779 118.700 -0.236 0.000 2.714 63 N HA -0.194 4.546 4.740 -0.000 0.000 0.253 63 N C -1.444 174.021 175.510 -0.076 0.000 1.024 63 N CA 1.377 54.380 53.050 -0.078 0.000 0.726 63 N CB -0.684 37.839 38.487 0.060 0.000 0.908 63 N HN 0.569 nan 8.380 nan 0.000 0.542 64 K N -0.990 119.228 120.400 -0.304 0.000 2.536 64 K HA 0.554 4.874 4.320 -0.000 0.000 0.269 64 K C -0.632 175.781 176.600 -0.312 0.000 0.965 64 K CA -1.012 55.161 56.287 -0.190 0.000 0.860 64 K CB 1.081 33.483 32.500 -0.163 0.000 1.423 64 K HN 0.040 nan 8.250 nan 0.000 0.438 65 I N 2.204 122.604 120.570 -0.284 0.000 2.395 65 I HA 0.231 4.400 4.170 -0.000 0.000 0.289 65 I C 0.015 175.816 176.117 -0.526 0.000 1.023 65 I CA -0.814 60.171 61.300 -0.525 0.000 1.350 65 I CB 1.496 39.105 38.000 -0.651 0.000 1.409 65 I HN 0.490 nan 8.210 nan 0.000 0.507 66 V N 3.047 122.634 119.914 -0.544 0.000 2.960 66 V HA 0.637 4.757 4.120 -0.000 0.000 0.315 66 V C -0.778 175.035 176.094 -0.469 0.000 1.087 66 V CA -0.623 61.450 62.300 -0.379 0.000 0.982 66 V CB 2.075 33.832 31.823 -0.109 0.000 1.039 66 V HN 0.624 nan 8.190 nan 0.000 0.437 67 H N 2.931 122.057 119.070 0.094 0.000 2.759 67 H HA 0.754 5.310 4.556 -0.000 0.000 0.354 67 H C -1.192 174.227 175.328 0.151 0.000 1.074 67 H CA -0.229 55.838 56.048 0.033 0.000 1.226 67 H CB 1.979 31.722 29.762 -0.031 0.000 1.648 67 H HN 0.888 nan 8.280 nan 0.000 0.529 68 F N -0.536 119.479 119.950 0.109 0.000 2.668 68 F HA 0.539 5.066 4.527 -0.000 0.000 0.309 68 F C -0.482 175.353 175.800 0.058 0.000 1.117 68 F CA -1.199 56.830 58.000 0.048 0.000 0.951 68 F CB 1.151 40.160 39.000 0.016 0.000 1.323 68 F HN 0.362 nan 8.300 nan 0.000 0.451 69 S N 1.219 117.032 115.700 0.188 0.000 2.617 69 S HA 0.903 5.372 4.470 -0.000 0.000 0.283 69 S C -0.610 174.102 174.600 0.186 0.000 1.189 69 S CA -0.023 58.236 58.200 0.097 0.000 1.036 69 S CB 1.610 64.857 63.200 0.079 0.000 1.014 69 S HN 1.819 nan 8.310 nan 0.000 0.522 70 V N -0.913 119.074 119.914 0.122 0.000 3.114 70 V HA 0.609 4.729 4.120 -0.000 0.000 0.308 70 V C -1.221 174.941 176.094 0.114 0.000 1.168 70 V CA -1.291 61.102 62.300 0.155 0.000 1.015 70 V CB 1.835 33.759 31.823 0.168 0.000 1.050 70 V HN 0.866 nan 8.190 nan 0.000 0.433 71 N N 1.929 120.704 118.700 0.125 0.000 2.401 71 N HA 0.422 5.162 4.740 -0.000 0.000 0.255 71 N C 1.117 176.687 175.510 0.099 0.000 1.110 71 N CA 0.495 53.615 53.050 0.116 0.000 0.949 71 N CB 1.802 40.369 38.487 0.134 0.000 1.110 71 N HN 1.042 nan 8.380 nan 0.000 0.490 72 A N 1.854 124.722 122.820 0.080 0.000 2.070 72 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 72 A C 2.284 179.911 177.584 0.072 0.000 1.159 72 A CA 1.237 53.311 52.037 0.062 0.000 0.656 72 A CB -0.640 18.390 19.000 0.051 0.000 0.800 72 A HN 0.881 nan 8.150 nan 0.000 0.453 73 C N -2.042 117.315 119.300 0.095 0.000 2.432 73 C HA 0.190 4.650 4.460 -0.000 0.000 0.280 73 C C 1.918 176.978 174.990 0.117 0.000 1.353 73 C CA 0.842 59.926 59.018 0.110 0.000 1.766 73 C CB -1.402 26.422 27.740 0.140 0.000 1.924 73 C HN 0.445 nan 8.230 nan 0.000 0.509 74 L N 0.634 121.929 121.223 0.120 0.000 2.766 74 L HA 0.383 4.722 4.340 -0.000 0.000 0.242 74 L C 1.253 178.187 176.870 0.106 0.000 1.136 74 L CA 0.106 55.024 54.840 0.129 0.000 0.933 74 L CB -0.085 42.065 42.059 0.151 0.000 1.241 74 L HN 0.283 nan 8.230 nan 0.000 0.522 75 A N 1.295 124.159 122.820 0.073 0.000 2.279 75 A HA 0.558 4.878 4.320 -0.000 0.000 0.306 75 A C -2.453 175.115 177.584 -0.026 0.000 1.300 75 A CA -1.294 50.768 52.037 0.043 0.000 0.925 75 A CB -0.164 18.852 19.000 0.025 0.000 1.152 75 A HN -0.106 nan 8.150 nan 0.000 0.544 76 P HA 0.123 nan 4.420 nan 0.000 0.271 76 P C 1.203 178.274 177.300 -0.381 0.000 1.220 76 P CA -0.354 62.631 63.100 -0.192 0.000 0.768 76 P CB 0.528 32.108 31.700 -0.200 0.000 0.848 77 I N 0.011 120.312 120.570 -0.448 0.000 2.423 77 I HA -0.242 3.928 4.170 -0.000 0.000 0.254 77 I C 1.149 176.803 176.117 -0.772 0.000 1.151 77 I CA 1.565 62.484 61.300 -0.634 0.000 1.421 77 I CB -0.996 36.610 38.000 -0.657 0.000 1.079 77 I HN 0.172 nan 8.210 nan 0.000 0.431 78 C N 1.676 120.381 119.300 -0.992 0.000 2.472 78 C HA -0.008 4.452 4.460 -0.000 0.000 0.278 78 C C 3.009 177.444 174.990 -0.925 0.000 1.447 78 C CA 1.122 59.327 59.018 -1.355 0.000 1.773 78 C CB -1.614 24.884 27.740 -2.071 0.000 1.793 78 C HN 0.783 nan 8.230 nan 0.000 0.544 79 S N -0.399 114.942 115.700 -0.598 0.000 2.575 79 S HA 0.200 4.670 4.470 -0.000 0.000 0.215 79 S C 1.012 175.622 174.600 0.017 0.000 0.966 79 S CA 0.468 58.645 58.200 -0.039 0.000 0.911 79 S CB -0.372 62.915 63.200 0.145 0.000 0.780 79 S HN 0.652 nan 8.310 nan 0.000 0.514 80 L N 1.120 122.254 121.223 -0.147 0.000 2.769 80 L HA 0.374 4.714 4.340 -0.000 0.000 0.240 80 L C 0.567 177.486 176.870 0.081 0.000 1.163 80 L CA -0.497 54.272 54.840 -0.118 0.000 0.962 80 L CB -0.491 41.264 42.059 -0.508 0.000 1.258 80 L HN 0.329 nan 8.230 nan 0.000 0.513 81 H N 0.755 119.917 119.070 0.154 0.000 3.034 81 H HA -0.038 4.517 4.556 -0.000 0.000 0.324 81 H C 0.426 176.017 175.328 0.439 0.000 1.015 81 H CA 0.844 57.076 56.048 0.306 0.000 1.429 81 H CB -0.038 29.958 29.762 0.390 0.000 1.429 81 H HN 0.189 nan 8.280 nan 0.000 0.585 82 H N 0.819 119.893 119.070 0.008 0.000 2.791 82 H HA -0.180 4.376 4.556 -0.000 0.000 0.302 82 H C -0.119 175.338 175.328 0.215 0.000 1.198 82 H CA 0.125 56.206 56.048 0.055 0.000 1.145 82 H CB -1.482 28.251 29.762 -0.049 0.000 1.385 82 H HN 0.411 nan 8.280 nan 0.000 0.409 83 V N -2.568 117.573 119.914 0.378 0.000 3.177 83 V HA 0.963 5.083 4.120 -0.000 0.000 0.319 83 V C 0.072 176.365 176.094 0.332 0.000 1.125 83 V CA -0.363 62.133 62.300 0.327 0.000 1.029 83 V CB 2.337 34.312 31.823 0.252 0.000 1.119 83 V HN 0.318 nan 8.190 nan 0.000 0.452 84 A N 1.287 124.265 122.820 0.263 0.000 2.319 84 A HA 0.796 5.116 4.320 -0.000 0.000 0.310 84 A C -0.660 177.033 177.584 0.182 0.000 1.152 84 A CA -0.591 51.583 52.037 0.229 0.000 0.783 84 A CB 1.224 20.266 19.000 0.071 0.000 1.184 84 A HN 1.164 nan 8.150 nan 0.000 0.474 85 V N 2.144 122.180 119.914 0.205 0.000 2.567 85 V HA 0.551 4.670 4.120 -0.000 0.000 0.289 85 V C 0.301 176.449 176.094 0.090 0.000 1.049 85 V CA -0.118 62.255 62.300 0.122 0.000 0.969 85 V CB 1.681 33.605 31.823 0.168 0.000 0.995 85 V HN 0.899 nan 8.190 nan 0.000 0.471 86 T N 3.206 117.782 114.554 0.038 0.000 2.809 86 T HA 0.541 4.890 4.350 -0.000 0.000 0.284 86 T C 0.155 174.824 174.700 -0.051 0.000 0.992 86 T CA -0.487 61.607 62.100 -0.011 0.000 0.957 86 T CB 1.456 70.306 68.868 -0.030 0.000 0.942 86 T HN 0.947 nan 8.240 nan 0.000 0.439 87 T N -0.690 113.829 114.554 -0.058 0.000 2.893 87 T HA 0.444 4.793 4.350 -0.000 0.000 0.279 87 T C 1.583 176.204 174.700 -0.132 0.000 0.991 87 T CA -0.594 61.464 62.100 -0.069 0.000 0.950 87 T CB 0.949 69.799 68.868 -0.029 0.000 1.223 87 T HN 0.190 nan 8.240 nan 0.000 0.585 88 V N 0.792 120.642 119.914 -0.107 0.000 2.392 88 V HA -0.146 3.973 4.120 -0.000 0.000 0.249 88 V C 2.433 178.460 176.094 -0.111 0.000 1.059 88 V CA 2.430 64.657 62.300 -0.123 0.000 1.051 88 V CB -1.099 30.683 31.823 -0.069 0.000 0.658 88 V HN 0.953 nan 8.190 nan 0.000 0.455 89 E N 0.325 120.482 120.200 -0.072 0.000 2.265 89 E HA -0.060 4.290 4.350 -0.000 0.000 0.196 89 E C 2.043 178.605 176.600 -0.065 0.000 0.996 89 E CA 1.109 57.478 56.400 -0.051 0.000 0.832 89 E CB -0.588 29.093 29.700 -0.032 0.000 0.756 89 E HN 0.688 nan 8.360 nan 0.000 0.491 90 G N 0.683 109.424 108.800 -0.097 0.000 2.712 90 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.212 90 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.212 90 G C 1.492 176.309 174.900 -0.139 0.000 1.142 90 G CA 0.505 45.548 45.100 -0.094 0.000 0.789 90 G HN 0.414 nan 8.290 nan 0.000 0.535 91 I N -3.435 117.006 120.570 -0.215 0.000 3.939 91 I HA 0.577 4.746 4.170 -0.000 0.000 0.313 91 I C 0.729 176.827 176.117 -0.030 0.000 1.274 91 I CA 0.349 61.494 61.300 -0.258 0.000 1.301 91 I CB 0.866 38.421 38.000 -0.742 0.000 1.105 91 I HN 0.063 nan 8.210 nan 0.000 0.427 92 G N 1.489 110.277 108.800 -0.021 0.000 2.328 92 G HA2 0.396 4.355 3.960 -0.000 0.000 0.295 92 G HA3 0.396 4.355 3.960 -0.000 0.000 0.295 92 G C -2.105 172.805 174.900 0.016 0.000 1.413 92 G CA -0.271 44.853 45.100 0.039 0.000 0.817 92 G HN 0.552 nan 8.290 nan 0.000 0.546 93 N N -2.943 115.772 118.700 0.026 0.000 3.243 93 N HA 0.538 5.278 4.740 -0.000 0.000 0.280 93 N C 0.899 176.424 175.510 0.026 0.000 1.545 93 N CA 0.200 53.262 53.050 0.019 0.000 0.854 93 N CB 0.529 39.022 38.487 0.010 0.000 1.612 93 N HN 0.699 nan 8.380 nan 0.000 0.577 94 T N -3.539 111.029 114.554 0.023 0.000 3.035 94 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 94 T C 0.873 175.588 174.700 0.024 0.000 1.109 94 T CA 0.900 63.016 62.100 0.027 0.000 1.119 94 T CB -0.274 68.611 68.868 0.028 0.000 0.900 94 T HN 0.407 nan 8.240 nan 0.000 0.503 95 Q N 0.887 120.699 119.800 0.019 0.000 2.378 95 Q HA 0.203 4.542 4.340 -0.000 0.000 0.205 95 Q C 0.732 176.745 176.000 0.021 0.000 0.954 95 Q CA 0.812 56.626 55.803 0.018 0.000 0.901 95 Q CB 0.197 28.942 28.738 0.012 0.000 0.981 95 Q HN 0.594 nan 8.270 nan 0.000 0.483 96 K N 0.455 120.870 120.400 0.026 0.000 2.793 96 K HA 0.265 4.584 4.320 -0.000 0.000 0.269 96 K C -1.370 175.255 176.600 0.042 0.000 1.124 96 K CA -0.094 56.211 56.287 0.030 0.000 1.074 96 K CB 0.405 32.922 32.500 0.028 0.000 1.322 96 K HN -0.017 nan 8.250 nan 0.000 0.532 97 L N 3.645 124.894 121.223 0.042 0.000 2.380 97 L HA 0.242 4.582 4.340 -0.000 0.000 0.273 97 L C 0.947 177.866 176.870 0.082 0.000 1.138 97 L CA -0.624 54.254 54.840 0.062 0.000 0.832 97 L CB 0.519 42.607 42.059 0.049 0.000 1.124 97 L HN 0.504 nan 8.230 nan 0.000 0.454 98 H N 4.786 123.880 119.070 0.039 0.000 2.871 98 H HA 0.024 4.580 4.556 -0.000 0.000 0.355 98 H C -1.809 173.578 175.328 0.098 0.000 1.092 98 H CA -1.095 54.997 56.048 0.073 0.000 1.420 98 H CB 1.648 31.454 29.762 0.073 0.000 1.400 98 H HN 0.363 nan 8.280 nan 0.000 0.604 99 P HA -0.206 nan 4.420 nan 0.000 0.217 99 P C 1.651 179.163 177.300 0.353 0.000 1.151 99 P CA 1.105 64.248 63.100 0.071 0.000 0.849 99 P CB 0.277 32.038 31.700 0.101 0.000 0.787 100 V N -0.666 119.621 119.914 0.621 0.000 2.343 100 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 100 V C 2.401 178.734 176.094 0.399 0.000 1.051 100 V CA 1.866 64.471 62.300 0.509 0.000 1.036 100 V CB -1.198 30.791 31.823 0.276 0.000 0.654 100 V HN 0.208 nan 8.190 nan 0.000 0.451 101 Q N -0.334 119.634 119.800 0.281 0.000 2.079 101 Q HA -0.236 4.104 4.340 -0.000 0.000 0.200 101 Q C 2.364 178.408 176.000 0.072 0.000 0.974 101 Q CA 1.762 57.660 55.803 0.159 0.000 0.840 101 Q CB -0.214 28.596 28.738 0.120 0.000 0.898 101 Q HN 0.725 nan 8.270 nan 0.000 0.430 102 E N 1.109 121.329 120.200 0.033 0.000 2.058 102 E HA -0.230 4.119 4.350 -0.000 0.000 0.194 102 E C 1.975 178.410 176.600 -0.275 0.000 0.997 102 E CA 1.065 57.410 56.400 -0.091 0.000 0.801 102 E CB 0.137 29.777 29.700 -0.100 0.000 0.746 102 E HN 0.242 nan 8.360 nan 0.000 0.450 103 R N 0.082 120.372 120.500 -0.350 0.000 2.090 103 R HA -0.017 4.323 4.340 -0.000 0.000 0.228 103 R C 2.586 178.641 176.300 -0.408 0.000 1.110 103 R CA 1.080 56.761 56.100 -0.698 0.000 0.973 103 R CB -0.302 29.648 30.300 -0.584 0.000 0.869 103 R HN 0.315 nan 8.270 nan 0.000 0.440 104 I N 0.678 121.162 120.570 -0.143 0.000 2.439 104 I HA -0.182 3.987 4.170 -0.000 0.000 0.251 104 I C 2.164 178.138 176.117 -0.239 0.000 1.139 104 I CA 0.940 62.074 61.300 -0.276 0.000 1.438 104 I CB -0.010 37.913 38.000 -0.129 0.000 1.085 104 I HN 0.130 nan 8.210 nan 0.000 0.427 105 A N 0.725 123.446 122.820 -0.165 0.000 1.897 105 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 105 A C 2.342 179.791 177.584 -0.225 0.000 1.181 105 A CA 1.178 53.131 52.037 -0.140 0.000 0.620 105 A CB -0.480 18.480 19.000 -0.066 0.000 0.821 105 A HN 0.377 nan 8.150 nan 0.000 0.443 106 R N 0.263 120.609 120.500 -0.256 0.000 2.193 106 R HA -0.038 4.302 4.340 -0.000 0.000 0.213 106 R C 1.954 177.953 176.300 -0.503 0.000 1.055 106 R CA 1.156 57.107 56.100 -0.248 0.000 0.995 106 R CB -0.178 30.131 30.300 0.016 0.000 0.893 106 R HN 0.658 nan 8.270 nan 0.000 0.459 107 S N -0.277 115.025 115.700 -0.663 0.000 2.631 107 S HA -0.035 4.435 4.470 -0.000 0.000 0.217 107 S C 0.010 174.318 174.600 -0.488 0.000 0.958 107 S CA -0.200 57.402 58.200 -0.997 0.000 0.920 107 S CB -0.196 62.290 63.200 -1.190 0.000 0.776 107 S HN 0.400 nan 8.310 nan 0.000 0.517 108 H N -0.829 118.144 119.070 -0.161 0.000 2.886 108 H HA -0.136 4.420 4.556 -0.000 0.000 0.294 108 H C 0.924 176.185 175.328 -0.112 0.000 1.246 108 H CA 0.603 56.604 56.048 -0.079 0.000 1.142 108 H CB -1.911 27.838 29.762 -0.022 0.000 1.358 108 H HN 0.619 nan 8.280 nan 0.000 0.406 109 G N -0.223 108.499 108.800 -0.130 0.000 3.141 109 G HA2 0.189 4.149 3.960 -0.000 0.000 0.218 109 G HA3 0.189 4.149 3.960 -0.000 0.000 0.218 109 G C 0.396 175.228 174.900 -0.114 0.000 1.170 109 G CA 0.713 45.721 45.100 -0.153 0.000 0.769 109 G HN 0.324 nan 8.290 nan 0.000 0.546 110 S N -0.644 115.006 115.700 -0.083 0.000 2.707 110 S HA 0.465 4.935 4.470 -0.000 0.000 0.303 110 S C 0.425 174.956 174.600 -0.114 0.000 1.132 110 S CA -0.632 57.521 58.200 -0.078 0.000 1.046 110 S CB 1.566 64.719 63.200 -0.079 0.000 1.004 110 S HN 0.350 nan 8.310 nan 0.000 0.483 111 Q N 1.687 121.437 119.800 -0.083 0.000 2.304 111 Q HA 0.075 4.415 4.340 -0.000 0.000 0.199 111 Q C 2.285 178.211 176.000 -0.124 0.000 0.997 111 Q CA 0.942 56.693 55.803 -0.086 0.000 0.846 111 Q CB -0.486 28.267 28.738 0.023 0.000 1.004 111 Q HN 0.965 nan 8.270 nan 0.000 0.555 112 C N -0.371 118.943 119.300 0.023 0.000 2.448 112 C HA 0.307 4.766 4.460 -0.000 0.000 0.280 112 C C 1.721 176.832 174.990 0.202 0.000 1.398 112 C CA 0.380 59.458 59.018 0.100 0.000 1.774 112 C CB -1.126 26.692 27.740 0.130 0.000 1.888 112 C HN 0.890 nan 8.230 nan 0.000 0.519 113 G N -0.651 108.232 108.800 0.137 0.000 2.179 113 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.260 113 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.260 113 G C 0.386 175.407 174.900 0.202 0.000 0.977 113 G CA 0.511 45.715 45.100 0.174 0.000 0.641 113 G HN 0.578 nan 8.290 nan 0.000 0.533 114 F N 1.357 121.279 119.950 -0.046 0.000 2.367 114 F HA 0.073 4.599 4.527 -0.001 0.000 0.298 114 F C 2.800 178.547 175.800 -0.088 0.000 1.094 114 F CA 1.880 59.712 58.000 -0.281 0.000 1.409 114 F CB -0.225 38.578 39.000 -0.329 0.000 1.064 114 F HN 0.565 nan 8.300 nan 0.000 0.528 115 C N -1.591 117.782 119.300 0.122 0.000 2.500 115 C HA 0.057 4.517 4.460 -0.000 0.000 0.273 115 C C 2.401 177.435 174.990 0.072 0.000 1.428 115 C CA 0.748 59.831 59.018 0.107 0.000 1.766 115 C CB -1.734 26.107 27.740 0.168 0.000 1.817 115 C HN 0.367 nan 8.230 nan 0.000 0.543 116 T N 2.688 117.269 114.554 0.045 0.000 2.737 116 T HA -0.040 4.310 4.350 -0.000 0.000 0.265 116 T C -0.329 174.410 174.700 0.066 0.000 1.038 116 T CA 2.150 64.288 62.100 0.063 0.000 1.144 116 T CB -1.195 67.703 68.868 0.050 0.000 0.866 116 T HN 0.420 nan 8.240 nan 0.000 0.434 117 P HA -0.007 nan 4.420 nan 0.000 0.216 117 P C 1.754 179.078 177.300 0.039 0.000 1.153 117 P CA 1.052 64.156 63.100 0.006 0.000 0.848 117 P CB -0.433 31.233 31.700 -0.057 0.000 0.787 118 G N -0.724 108.104 108.800 0.046 0.000 2.422 118 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 118 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 118 G C 1.495 176.511 174.900 0.193 0.000 1.140 118 G CA 0.424 45.586 45.100 0.102 0.000 0.775 118 G HN 0.230 nan 8.290 nan 0.000 0.545 119 I N 0.116 120.824 120.570 0.230 0.000 2.233 119 I HA -0.099 4.070 4.170 -0.000 0.000 0.243 119 I C 2.749 179.103 176.117 0.394 0.000 1.093 119 I CA 0.229 61.736 61.300 0.345 0.000 1.380 119 I CB -0.174 37.983 38.000 0.263 0.000 1.067 119 I HN -0.003 nan 8.210 nan 0.000 0.413 120 V N 0.768 120.853 119.914 0.285 0.000 2.278 120 V HA -0.352 3.768 4.120 -0.000 0.000 0.251 120 V C 2.546 178.727 176.094 0.144 0.000 1.062 120 V CA 1.803 64.241 62.300 0.230 0.000 1.038 120 V CB -0.498 31.407 31.823 0.136 0.000 0.646 120 V HN 0.390 nan 8.190 nan 0.000 0.447 121 M N -0.783 118.880 119.600 0.106 0.000 2.229 121 M HA -0.080 4.400 4.480 -0.000 0.000 0.264 121 M C 2.384 178.746 176.300 0.103 0.000 1.063 121 M CA 1.440 56.780 55.300 0.067 0.000 1.114 121 M CB -1.446 31.170 32.600 0.027 0.000 1.387 121 M HN 0.347 nan 8.290 nan 0.000 0.420 122 S N 0.578 116.367 115.700 0.149 0.000 2.368 122 S HA -0.133 4.336 4.470 -0.000 0.000 0.225 122 S C 1.853 176.406 174.600 -0.078 0.000 1.030 122 S CA 1.360 59.599 58.200 0.064 0.000 0.999 122 S CB -0.222 63.081 63.200 0.170 0.000 0.844 122 S HN 0.406 nan 8.310 nan 0.000 0.459 123 M N 0.452 120.064 119.600 0.020 0.000 2.132 123 M HA -0.021 4.459 4.480 -0.000 0.000 0.263 123 M C 1.752 177.874 176.300 -0.297 0.000 1.065 123 M CA 1.441 56.594 55.300 -0.245 0.000 1.122 123 M CB -0.780 31.575 32.600 -0.407 0.000 1.365 123 M HN 0.368 nan 8.290 nan 0.000 0.411 124 Y N 0.292 120.414 120.300 -0.297 0.000 2.165 124 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 124 Y C 2.027 177.759 175.900 -0.280 0.000 1.155 124 Y CA 2.543 60.443 58.100 -0.334 0.000 1.164 124 Y CB -0.749 37.520 38.460 -0.318 0.000 0.978 124 Y HN 0.293 nan 8.280 nan 0.000 0.513 125 T N 1.020 115.514 114.554 -0.100 0.000 2.777 125 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 125 T C 1.794 176.357 174.700 -0.228 0.000 1.040 125 T CA 1.297 63.312 62.100 -0.143 0.000 1.141 125 T CB -0.637 68.216 68.868 -0.025 0.000 0.868 125 T HN 0.329 nan 8.240 nan 0.000 0.444 126 L N 1.152 122.224 121.223 -0.252 0.000 2.013 126 L HA -0.024 4.316 4.340 -0.000 0.000 0.212 126 L C 2.072 178.765 176.870 -0.295 0.000 1.073 126 L CA 1.742 56.423 54.840 -0.264 0.000 0.753 126 L CB -0.698 41.172 42.059 -0.314 0.000 0.890 126 L HN 0.248 nan 8.230 nan 0.000 0.432 127 L N -0.970 120.010 121.223 -0.405 0.000 2.291 127 L HA -0.092 4.248 4.340 -0.000 0.000 0.214 127 L C 2.570 179.211 176.870 -0.382 0.000 1.120 127 L CA 0.303 54.897 54.840 -0.410 0.000 0.799 127 L CB -0.547 41.187 42.059 -0.542 0.000 0.925 127 L HN 0.219 nan 8.230 nan 0.000 0.446 128 R N 0.010 120.225 120.500 -0.475 0.000 2.148 128 R HA -0.046 4.294 4.340 -0.000 0.000 0.227 128 R C 1.659 177.833 176.300 -0.209 0.000 1.103 128 R CA 0.834 56.678 56.100 -0.427 0.000 0.983 128 R CB -0.694 29.248 30.300 -0.595 0.000 0.874 128 R HN 0.484 nan 8.270 nan 0.000 0.451 129 N N 0.095 118.699 118.700 -0.159 0.000 2.409 129 N HA -0.061 4.678 4.740 -0.000 0.000 0.174 129 N C -0.096 175.363 175.510 -0.085 0.000 1.037 129 N CA 0.403 53.410 53.050 -0.071 0.000 0.898 129 N CB 0.420 38.873 38.487 -0.056 0.000 1.010 129 N HN 0.025 nan 8.380 nan 0.000 0.445 130 Q N -0.009 119.719 119.800 -0.121 0.000 2.961 130 Q HA 0.317 4.657 4.340 -0.000 0.000 0.223 130 Q C -2.504 173.428 176.000 -0.113 0.000 0.859 130 Q CA -1.468 54.277 55.803 -0.097 0.000 0.771 130 Q CB 1.812 30.498 28.738 -0.087 0.000 1.389 130 Q HN -0.105 nan 8.270 nan 0.000 0.460 131 P HA -0.085 nan 4.420 nan 0.000 0.222 131 P C -0.767 176.517 177.300 -0.026 0.000 1.147 131 P CA 1.119 64.171 63.100 -0.081 0.000 0.790 131 P CB 0.385 32.055 31.700 -0.049 0.000 0.780 132 E N -0.191 120.004 120.200 -0.008 0.000 3.108 132 E HA 0.212 4.562 4.350 -0.000 0.000 0.228 132 E C -2.472 174.141 176.600 0.022 0.000 1.176 132 E CA -1.924 54.497 56.400 0.035 0.000 0.881 132 E CB 0.862 30.589 29.700 0.045 0.000 1.354 132 E HN 0.266 nan 8.360 nan 0.000 0.400 133 P HA -0.011 nan 4.420 nan 0.000 0.274 133 P C 0.278 177.599 177.300 0.035 0.000 1.246 133 P CA -0.193 62.905 63.100 -0.004 0.000 0.795 133 P CB 0.747 32.423 31.700 -0.041 0.000 1.006 134 T N -2.558 112.011 114.554 0.024 0.000 2.849 134 T HA 0.133 4.483 4.350 -0.000 0.000 0.284 134 T C 1.522 176.264 174.700 0.069 0.000 1.004 134 T CA -0.646 61.481 62.100 0.047 0.000 1.021 134 T CB -0.045 68.841 68.868 0.031 0.000 1.013 134 T HN 0.083 nan 8.240 nan 0.000 0.527 135 V N 1.019 120.989 119.914 0.093 0.000 2.380 135 V HA -0.169 3.951 4.120 -0.000 0.000 0.251 135 V C 2.802 178.960 176.094 0.106 0.000 1.063 135 V CA 2.452 64.826 62.300 0.124 0.000 1.055 135 V CB -1.094 30.808 31.823 0.132 0.000 0.657 135 V HN 1.073 nan 8.190 nan 0.000 0.455 136 E N 0.009 120.253 120.200 0.074 0.000 2.072 136 E HA -0.243 4.106 4.350 -0.000 0.000 0.191 136 E C 2.198 178.808 176.600 0.017 0.000 0.985 136 E CA 1.483 57.918 56.400 0.058 0.000 0.801 136 E CB -0.086 29.638 29.700 0.040 0.000 0.750 136 E HN 0.703 nan 8.360 nan 0.000 0.452 137 E N 0.285 120.480 120.200 -0.008 0.000 2.077 137 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 137 E C 2.186 178.723 176.600 -0.106 0.000 0.989 137 E CA 1.271 57.634 56.400 -0.062 0.000 0.800 137 E CB -0.092 29.569 29.700 -0.064 0.000 0.746 137 E HN 0.379 nan 8.360 nan 0.000 0.452 138 I N 1.040 121.586 120.570 -0.041 0.000 2.127 138 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 138 I C 2.647 178.726 176.117 -0.064 0.000 1.075 138 I CA 1.332 62.606 61.300 -0.043 0.000 1.334 138 I CB -0.262 37.841 38.000 0.171 0.000 1.040 138 I HN 0.149 nan 8.210 nan 0.000 0.405 139 E N 0.982 121.229 120.200 0.079 0.000 2.110 139 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 139 E C 1.840 178.425 176.600 -0.024 0.000 0.988 139 E CA 1.269 57.747 56.400 0.130 0.000 0.804 139 E CB 0.072 29.879 29.700 0.178 0.000 0.745 139 E HN 0.408 nan 8.360 nan 0.000 0.458 140 N N 0.283 118.933 118.700 -0.082 0.000 2.309 140 N HA -0.095 4.644 4.740 -0.000 0.000 0.182 140 N C 1.432 176.804 175.510 -0.230 0.000 1.018 140 N CA 1.009 53.989 53.050 -0.115 0.000 0.876 140 N CB -0.295 38.125 38.487 -0.112 0.000 0.972 140 N HN 0.211 nan 8.380 nan 0.000 0.434 141 A N -0.357 122.197 122.820 -0.444 0.000 2.070 141 A HA -0.052 4.268 4.320 -0.000 0.000 0.220 141 A C 1.146 178.315 177.584 -0.692 0.000 1.159 141 A CA 0.879 52.524 52.037 -0.654 0.000 0.656 141 A CB -0.620 17.788 19.000 -0.987 0.000 0.800 141 A HN 0.306 nan 8.150 nan 0.000 0.453 142 F N -1.357 118.443 119.950 -0.250 0.000 2.668 142 F HA 0.200 4.727 4.527 -0.000 0.000 0.301 142 F C 1.821 177.536 175.800 -0.140 0.000 1.106 142 F CA 0.003 57.787 58.000 -0.361 0.000 1.289 142 F CB 0.136 38.391 39.000 -1.241 0.000 1.006 142 F HN 0.233 nan 8.300 nan 0.000 0.535 143 Q N 1.075 120.911 119.800 0.060 0.000 2.297 143 Q HA -0.109 4.231 4.340 -0.000 0.000 0.208 143 Q C 2.030 178.129 176.000 0.165 0.000 0.981 143 Q CA 1.470 57.351 55.803 0.129 0.000 0.876 143 Q CB -0.151 28.646 28.738 0.098 0.000 0.921 143 Q HN 0.500 nan 8.270 nan 0.000 0.446 144 G N 0.050 108.946 108.800 0.160 0.000 3.371 144 G HA2 0.093 4.053 3.960 -0.000 0.000 0.248 144 G HA3 0.093 4.053 3.960 -0.000 0.000 0.248 144 G C -0.242 174.804 174.900 0.243 0.000 1.161 144 G CA -0.370 44.838 45.100 0.180 0.000 0.796 144 G HN 0.133 nan 8.290 nan 0.000 0.539 145 N N 0.318 119.218 118.700 0.333 0.000 2.258 145 N HA 0.497 5.236 4.740 -0.000 0.000 0.299 145 N C -1.281 174.542 175.510 0.521 0.000 1.047 145 N CA -0.362 52.943 53.050 0.425 0.000 0.814 145 N CB 2.605 41.407 38.487 0.527 0.000 1.413 145 N HN -0.055 nan 8.380 nan 0.000 0.478 146 L N 0.940 122.417 121.223 0.422 0.000 2.346 146 L HA 0.611 4.951 4.340 -0.000 0.000 0.274 146 L C -0.370 176.697 176.870 0.329 0.000 1.007 146 L CA -0.854 54.223 54.840 0.396 0.000 0.818 146 L CB 2.144 44.357 42.059 0.256 0.000 1.284 146 L HN 0.489 nan 8.230 nan 0.000 0.424 147 C N 2.268 121.679 119.300 0.185 0.000 2.482 147 C HA 0.520 4.980 4.460 -0.000 0.000 0.317 147 C C 0.889 175.745 174.990 -0.223 0.000 1.197 147 C CA -0.539 58.414 59.018 -0.107 0.000 1.432 147 C CB 1.724 29.222 27.740 -0.404 0.000 2.062 147 C HN 0.981 nan 8.230 nan 0.000 0.471 148 R N 2.498 122.989 120.500 -0.015 0.000 2.290 148 R HA 0.287 4.627 4.340 -0.000 0.000 0.197 148 R C 1.301 177.576 176.300 -0.043 0.000 0.913 148 R CA 1.390 57.463 56.100 -0.045 0.000 1.040 148 R CB -0.603 29.750 30.300 0.088 0.000 0.992 148 R HN 0.867 nan 8.270 nan 0.000 0.500 149 C N -1.550 117.779 119.300 0.048 0.000 2.535 149 C HA 0.172 4.632 4.460 -0.000 0.000 0.310 149 C C 2.184 177.173 174.990 -0.000 0.000 1.344 149 C CA 0.801 59.913 59.018 0.157 0.000 1.831 149 C CB 0.104 27.952 27.740 0.181 0.000 2.284 149 C HN 0.636 nan 8.230 nan 0.000 0.523 150 T N -2.254 112.207 114.554 -0.155 0.000 3.054 150 T HA 0.294 4.643 4.350 -0.000 0.000 0.259 150 T C 1.656 176.277 174.700 -0.133 0.000 1.092 150 T CA 1.317 63.336 62.100 -0.136 0.000 1.121 150 T CB -0.203 68.553 68.868 -0.186 0.000 0.912 150 T HN 0.882 nan 8.240 nan 0.000 0.489 151 G N 0.722 109.376 108.800 -0.244 0.000 2.148 151 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.254 151 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.254 151 G C 0.588 175.519 174.900 0.051 0.000 0.981 151 G CA 0.506 45.585 45.100 -0.036 0.000 0.670 151 G HN 0.644 nan 8.290 nan 0.000 0.528 152 Y N -2.827 117.398 120.300 -0.125 0.000 3.035 152 Y HA -0.387 4.162 4.550 -0.000 0.000 0.474 152 Y C 2.345 178.223 175.900 -0.038 0.000 1.222 152 Y CA 2.353 60.285 58.100 -0.280 0.000 2.575 152 Y CB -1.477 36.723 38.460 -0.433 0.000 0.874 152 Y HN 0.445 nan 8.280 nan 0.000 0.516 153 R N 1.301 121.942 120.500 0.236 0.000 2.133 153 R HA -0.183 4.157 4.340 -0.000 0.000 0.245 153 R C -0.988 175.391 176.300 0.133 0.000 1.137 153 R CA 2.774 59.000 56.100 0.211 0.000 0.947 153 R CB -1.572 28.799 30.300 0.119 0.000 0.865 153 R HN 0.410 nan 8.270 nan 0.000 0.437 154 P HA -0.100 nan 4.420 nan 0.000 0.219 154 P C 1.733 178.994 177.300 -0.065 0.000 1.150 154 P CA 1.202 64.322 63.100 0.033 0.000 0.814 154 P CB -0.182 31.523 31.700 0.008 0.000 0.787 155 I N -0.447 120.073 120.570 -0.084 0.000 2.142 155 I HA -0.227 3.943 4.170 -0.000 0.000 0.240 155 I C 2.649 178.689 176.117 -0.128 0.000 1.078 155 I CA 1.404 62.557 61.300 -0.245 0.000 1.343 155 I CB -0.719 37.238 38.000 -0.072 0.000 1.046 155 I HN -0.155 nan 8.210 nan 0.000 0.405 156 L N -0.050 121.291 121.223 0.197 0.000 2.156 156 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 156 L C 2.650 179.693 176.870 0.288 0.000 1.095 156 L CA 1.137 56.185 54.840 0.346 0.000 0.770 156 L CB -0.518 41.789 42.059 0.413 0.000 0.914 156 L HN 0.365 nan 8.230 nan 0.000 0.439 157 Q N 0.162 120.097 119.800 0.226 0.000 2.079 157 Q HA -0.138 4.201 4.340 -0.000 0.000 0.200 157 Q C 2.178 178.373 176.000 0.325 0.000 0.974 157 Q CA 1.531 57.506 55.803 0.287 0.000 0.840 157 Q CB -0.144 28.779 28.738 0.308 0.000 0.898 157 Q HN 0.487 nan 8.270 nan 0.000 0.430 158 G N -0.182 108.691 108.800 0.121 0.000 2.422 158 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.218 158 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.218 158 G C 0.925 175.979 174.900 0.255 0.000 1.146 158 G CA 0.377 45.489 45.100 0.019 0.000 0.769 158 G HN 0.320 nan 8.290 nan 0.000 0.547 159 F N 0.424 120.506 119.950 0.220 0.000 2.615 159 F HA 0.253 4.780 4.527 -0.000 0.000 0.297 159 F C 2.430 178.426 175.800 0.327 0.000 1.124 159 F CA -0.201 58.006 58.000 0.345 0.000 1.451 159 F CB -0.331 38.941 39.000 0.453 0.000 1.103 159 F HN 0.107 nan 8.300 nan 0.000 0.569 160 R N 0.607 121.371 120.500 0.441 0.000 2.241 160 R HA -0.138 4.202 4.340 -0.000 0.000 0.224 160 R C 1.998 178.451 176.300 0.255 0.000 1.101 160 R CA 1.666 57.960 56.100 0.323 0.000 0.995 160 R CB -0.319 30.145 30.300 0.273 0.000 0.870 160 R HN 0.342 nan 8.270 nan 0.000 0.463 161 T N -2.412 112.274 114.554 0.219 0.000 2.977 161 T HA -0.105 4.245 4.350 -0.000 0.000 0.271 161 T C 1.405 176.113 174.700 0.013 0.000 1.105 161 T CA 0.917 63.080 62.100 0.104 0.000 1.116 161 T CB -0.320 68.625 68.868 0.128 0.000 0.878 161 T HN 0.247 nan 8.240 nan 0.000 0.509 162 F N 1.926 121.998 119.950 0.203 0.000 2.710 162 F HA 0.498 5.025 4.527 -0.000 0.000 0.298 162 F C 1.821 177.675 175.800 0.091 0.000 1.137 162 F CA -0.369 57.704 58.000 0.121 0.000 1.444 162 F CB -0.165 38.875 39.000 0.067 0.000 1.111 162 F HN 0.246 nan 8.300 nan 0.000 0.580 163 A N 0.763 123.741 122.820 0.262 0.000 2.332 163 A HA 0.480 4.800 4.320 -0.000 0.000 0.258 163 A C 0.437 178.100 177.584 0.132 0.000 1.087 163 A CA -0.478 51.667 52.037 0.180 0.000 0.802 163 A CB 0.232 19.332 19.000 0.167 0.000 1.042 163 A HN 0.386 nan 8.150 nan 0.000 0.489 192 P HA 0.532 nan 4.420 nan 0.000 0.293 192 P C -0.659 176.435 177.300 -0.344 0.000 1.298 192 P CA -0.493 62.337 63.100 -0.450 0.000 0.757 192 P CB 0.345 31.860 31.700 -0.309 0.000 1.262 193 S N -0.945 114.759 115.700 0.008 0.000 2.578 193 S HA 0.331 4.801 4.470 -0.000 0.000 0.301 193 S C 1.251 176.046 174.600 0.324 0.000 1.091 193 S CA -0.638 57.626 58.200 0.107 0.000 1.032 193 S CB 0.812 63.969 63.200 -0.072 0.000 1.064 193 S HN 0.299 nan 8.310 nan 0.000 0.508 194 L N 1.286 122.664 121.223 0.258 0.000 2.313 194 L HA 0.175 4.515 4.340 -0.000 0.000 0.214 194 L C 0.030 177.181 176.870 0.470 0.000 1.119 194 L CA 0.922 55.924 54.840 0.269 0.000 0.809 194 L CB -0.181 42.023 42.059 0.242 0.000 0.933 194 L HN 0.683 nan 8.230 nan 0.000 0.449 195 F N -3.754 116.305 119.950 0.181 0.000 2.745 195 F HA 0.495 5.022 4.527 -0.000 0.000 0.316 195 F C -0.797 174.989 175.800 -0.022 0.000 1.155 195 F CA -1.483 56.579 58.000 0.102 0.000 0.937 195 F CB 1.013 40.075 39.000 0.104 0.000 1.361 195 F HN -0.376 nan 8.300 nan 0.000 0.472 196 N N 1.753 120.491 118.700 0.064 0.000 2.626 196 N HA 0.462 5.201 4.740 -0.000 0.000 0.249 196 N C -2.245 172.980 175.510 -0.475 0.000 1.021 196 N CA -2.765 50.178 53.050 -0.178 0.000 0.886 196 N CB 1.458 39.892 38.487 -0.089 0.000 1.149 196 N HN 0.299 nan 8.380 nan 0.000 0.517 197 P HA -0.128 nan 4.420 nan 0.000 0.222 197 P C 0.763 177.684 177.300 -0.631 0.000 1.147 197 P CA 0.986 63.436 63.100 -1.083 0.000 0.790 197 P CB 0.231 31.693 31.700 -0.395 0.000 0.780 198 E N 0.032 120.033 120.200 -0.331 0.000 2.418 198 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 198 E C 0.998 177.530 176.600 -0.114 0.000 1.026 198 E CA 0.859 57.160 56.400 -0.166 0.000 0.862 198 E CB -0.645 28.992 29.700 -0.106 0.000 0.799 198 E HN 0.083 nan 8.360 nan 0.000 0.518 199 D N -0.151 120.157 120.400 -0.153 0.000 2.339 199 D HA 0.077 4.716 4.640 -0.000 0.000 0.217 199 D C -0.434 175.961 176.300 0.159 0.000 1.050 199 D CA -0.285 53.712 54.000 -0.004 0.000 0.856 199 D CB -0.059 40.753 40.800 0.020 0.000 0.922 199 D HN 0.127 nan 8.370 nan 0.000 0.518 200 F N 1.767 121.736 119.950 0.033 0.000 2.529 200 F HA 0.077 4.603 4.527 -0.000 0.000 0.365 200 F C 1.317 177.121 175.800 0.008 0.000 1.102 200 F CA -0.983 57.025 58.000 0.014 0.000 1.271 200 F CB 0.581 39.572 39.000 -0.014 0.000 1.120 200 F HN -0.161 nan 8.300 nan 0.000 0.579 201 K N 4.106 124.628 120.400 0.203 0.000 2.382 201 K HA 0.282 4.602 4.320 -0.000 0.000 0.275 201 K C -2.821 173.837 176.600 0.097 0.000 1.009 201 K CA -1.448 54.905 56.287 0.109 0.000 0.970 201 K CB 0.116 32.653 32.500 0.061 0.000 0.934 201 K HN 0.154 nan 8.250 nan 0.000 0.479 202 P HA 0.041 nan 4.420 nan 0.000 0.275 202 P C -1.109 176.232 177.300 0.067 0.000 1.228 202 P CA -0.652 62.496 63.100 0.081 0.000 0.786 202 P CB 0.508 32.245 31.700 0.062 0.000 0.927 203 L N 2.609 123.893 121.223 0.102 0.000 2.276 203 L HA 0.386 4.726 4.340 -0.000 0.000 0.286 203 L C -0.356 176.543 176.870 0.049 0.000 1.061 203 L CA 0.023 54.909 54.840 0.075 0.000 0.807 203 L CB 0.239 42.405 42.059 0.179 0.000 1.177 203 L HN 0.174 nan 8.230 nan 0.000 0.429 204 D N 6.557 126.968 120.400 0.019 0.000 2.454 204 D HA 0.378 5.018 4.640 -0.000 0.000 0.225 204 D C -1.944 174.367 176.300 0.018 0.000 1.081 204 D CA -2.093 51.919 54.000 0.020 0.000 0.864 204 D CB 1.824 42.635 40.800 0.018 0.000 1.040 204 D HN 0.369 nan 8.370 nan 0.000 0.517 205 P HA -0.107 nan 4.420 nan 0.000 0.221 205 P C 1.213 178.517 177.300 0.007 0.000 1.145 205 P CA 1.141 64.240 63.100 -0.002 0.000 0.795 205 P CB 0.164 31.852 31.700 -0.021 0.000 0.775 206 T N -4.276 110.287 114.554 0.015 0.000 3.072 206 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 206 T C 1.501 176.219 174.700 0.031 0.000 1.127 206 T CA 0.753 62.865 62.100 0.020 0.000 1.107 206 T CB -0.551 68.328 68.868 0.019 0.000 0.910 206 T HN 0.024 nan 8.240 nan 0.000 0.513 207 Q N 0.864 120.687 119.800 0.037 0.000 2.320 207 Q HA 0.241 4.580 4.340 -0.000 0.000 0.201 207 Q C 0.253 176.299 176.000 0.078 0.000 0.910 207 Q CA 0.254 56.086 55.803 0.049 0.000 0.946 207 Q CB 0.138 28.900 28.738 0.041 0.000 1.062 207 Q HN 0.649 nan 8.270 nan 0.000 0.503 208 E N 1.419 121.670 120.200 0.084 0.000 2.392 208 E HA 0.214 4.564 4.350 -0.000 0.000 0.259 208 E C -2.016 174.639 176.600 0.092 0.000 1.108 208 E CA -1.982 54.489 56.400 0.119 0.000 0.916 208 E CB -0.287 29.462 29.700 0.081 0.000 0.989 208 E HN -0.002 nan 8.360 nan 0.000 0.432 209 P HA 0.071 nan 4.420 nan 0.000 0.266 209 P C 0.232 177.579 177.300 0.078 0.000 1.195 209 P CA 0.033 63.176 63.100 0.072 0.000 0.768 209 P CB 0.405 32.144 31.700 0.064 0.000 0.838 210 I N 3.070 123.672 120.570 0.054 0.000 2.813 210 I HA -0.002 4.168 4.170 -0.000 0.000 0.287 210 I C 0.162 176.328 176.117 0.082 0.000 1.196 210 I CA -0.337 61.002 61.300 0.065 0.000 1.421 210 I CB 0.168 38.179 38.000 0.019 0.000 1.365 210 I HN 0.167 nan 8.210 nan 0.000 0.591 211 F N 9.673 129.619 119.950 -0.007 0.000 2.543 211 F HA 0.319 4.846 4.527 -0.000 0.000 0.375 211 F C -1.983 173.732 175.800 -0.142 0.000 1.075 211 F CA -2.367 55.610 58.000 -0.038 0.000 1.225 211 F CB -0.091 38.907 39.000 -0.004 0.000 1.099 211 F HN 0.304 nan 8.300 nan 0.000 0.561 212 P HA 0.027 nan 4.420 nan 0.000 0.260 212 P C -2.194 174.679 177.300 -0.712 0.000 1.185 212 P CA -0.611 61.965 63.100 -0.873 0.000 0.763 212 P CB 0.382 31.158 31.700 -1.540 0.000 0.776 213 P HA -0.181 nan 4.420 nan 0.000 0.218 213 P C 1.159 178.322 177.300 -0.229 0.000 1.149 213 P CA 1.321 64.291 63.100 -0.217 0.000 0.817 213 P CB -0.117 31.508 31.700 -0.124 0.000 0.785 214 E N -0.227 119.817 120.200 -0.260 0.000 2.147 214 E HA -0.199 4.150 4.350 -0.000 0.000 0.199 214 E C 1.806 178.252 176.600 -0.257 0.000 1.005 214 E CA 1.061 57.342 56.400 -0.198 0.000 0.810 214 E CB -0.858 28.810 29.700 -0.053 0.000 0.736 214 E HN 0.336 nan 8.360 nan 0.000 0.460 215 L N 0.375 121.356 121.223 -0.403 0.000 2.341 215 L HA -0.038 4.302 4.340 -0.000 0.000 0.214 215 L C 2.352 179.160 176.870 -0.104 0.000 1.115 215 L CA 0.257 54.921 54.840 -0.293 0.000 0.820 215 L CB -0.121 41.686 42.059 -0.420 0.000 0.944 215 L HN 0.130 nan 8.230 nan 0.000 0.452 216 L N -0.695 120.476 121.223 -0.087 0.000 2.131 216 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 216 L C 2.770 179.526 176.870 -0.190 0.000 1.087 216 L CA 0.936 55.689 54.840 -0.145 0.000 0.767 216 L CB -0.342 41.667 42.059 -0.084 0.000 0.917 216 L HN 0.207 nan 8.230 nan 0.000 0.441 217 R N 0.178 120.587 120.500 -0.152 0.000 2.066 217 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 217 R C 2.246 178.474 176.300 -0.121 0.000 1.131 217 R CA 1.074 57.101 56.100 -0.122 0.000 0.955 217 R CB -0.526 29.719 30.300 -0.092 0.000 0.851 217 R HN 0.269 nan 8.270 nan 0.000 0.432 218 L N 1.657 122.791 121.223 -0.148 0.000 2.263 218 L HA -0.207 4.133 4.340 -0.000 0.000 0.216 218 L C 2.093 178.902 176.870 -0.101 0.000 1.111 218 L CA 1.340 56.088 54.840 -0.154 0.000 0.773 218 L CB -0.366 41.468 42.059 -0.375 0.000 0.906 218 L HN 0.223 nan 8.230 nan 0.000 0.439 219 K N -1.642 118.680 120.400 -0.129 0.000 2.486 219 K HA -0.067 4.252 4.320 -0.000 0.000 0.194 219 K C 1.013 177.567 176.600 -0.076 0.000 1.033 219 K CA 0.927 57.154 56.287 -0.100 0.000 1.004 219 K CB -0.142 32.193 32.500 -0.274 0.000 0.798 219 K HN 0.120 nan 8.250 nan 0.000 0.495 220 D N 1.382 121.734 120.400 -0.081 0.000 2.340 220 D HA -0.026 4.613 4.640 -0.000 0.000 0.220 220 D C -0.113 176.177 176.300 -0.016 0.000 1.039 220 D CA 0.693 54.663 54.000 -0.050 0.000 0.866 220 D CB 0.296 41.060 40.800 -0.059 0.000 0.913 220 D HN 0.472 nan 8.370 nan 0.000 0.523 221 T N -0.856 113.697 114.554 -0.001 0.000 2.859 221 T HA 0.555 4.905 4.350 -0.000 0.000 0.281 221 T C -2.678 172.037 174.700 0.026 0.000 1.005 221 T CA -1.971 60.142 62.100 0.023 0.000 1.025 221 T CB 2.127 71.022 68.868 0.046 0.000 0.977 221 T HN -0.295 nan 8.240 nan 0.000 0.458 222 P HA 0.151 nan 4.420 nan 0.000 0.269 222 P C -0.123 177.187 177.300 0.017 0.000 1.215 222 P CA -0.507 62.604 63.100 0.018 0.000 0.780 222 P CB 0.372 32.086 31.700 0.025 0.000 0.898 223 Q N 2.133 121.918 119.800 -0.026 0.000 2.327 223 Q HA 0.248 4.588 4.340 -0.000 0.000 0.254 223 Q C -0.087 175.955 176.000 0.070 0.000 0.952 223 Q CA -0.440 55.324 55.803 -0.064 0.000 0.884 223 Q CB 0.842 29.346 28.738 -0.390 0.000 1.224 223 Q HN 0.341 nan 8.270 nan 0.000 0.422 224 K N 2.037 122.516 120.400 0.132 0.000 2.208 224 K HA 0.349 4.668 4.320 -0.000 0.000 0.247 224 K C -0.783 175.960 176.600 0.240 0.000 0.953 224 K CA -0.889 55.490 56.287 0.153 0.000 0.837 224 K CB 1.987 34.542 32.500 0.091 0.000 1.131 224 K HN 0.666 nan 8.250 nan 0.000 0.431 225 K N 2.394 122.886 120.400 0.153 0.000 2.489 225 K HA 0.062 4.382 4.320 -0.000 0.000 0.278 225 K C -0.674 175.914 176.600 -0.021 0.000 1.000 225 K CA 0.029 56.364 56.287 0.080 0.000 1.012 225 K CB 0.273 32.784 32.500 0.019 0.000 0.903 225 K HN 0.540 nan 8.250 nan 0.000 0.485 226 L N 4.111 125.252 121.223 -0.137 0.000 2.333 226 L HA 0.560 4.900 4.340 -0.000 0.000 0.269 226 L C -0.172 176.404 176.870 -0.490 0.000 1.010 226 L CA -1.039 53.571 54.840 -0.384 0.000 0.818 226 L CB 1.972 43.700 42.059 -0.550 0.000 1.306 226 L HN 0.659 nan 8.230 nan 0.000 0.430 227 R N 1.836 121.955 120.500 -0.634 0.000 2.532 227 R HA 0.597 4.937 4.340 -0.000 0.000 0.297 227 R C -2.017 173.928 176.300 -0.592 0.000 0.984 227 R CA -0.400 55.438 56.100 -0.437 0.000 0.884 227 R CB 1.361 31.541 30.300 -0.201 0.000 1.182 227 R HN 0.429 nan 8.270 nan 0.000 0.442 228 F N 1.961 121.950 119.950 0.065 0.000 2.520 228 F HA 0.425 4.952 4.527 -0.000 0.000 0.322 228 F C -0.002 175.830 175.800 0.054 0.000 1.103 228 F CA -0.797 57.217 58.000 0.024 0.000 0.926 228 F CB 2.414 41.379 39.000 -0.058 0.000 1.154 228 F HN 0.319 nan 8.300 nan 0.000 0.453 229 E N 1.488 121.818 120.200 0.218 0.000 2.216 229 E HA 0.476 4.826 4.350 -0.000 0.000 0.260 229 E C -0.150 176.523 176.600 0.121 0.000 0.880 229 E CA -0.580 55.904 56.400 0.140 0.000 0.765 229 E CB 2.199 31.952 29.700 0.088 0.000 1.174 229 E HN 0.829 nan 8.360 nan 0.000 0.417 230 G N 1.392 110.259 108.800 0.111 0.000 2.828 230 G HA2 0.058 4.017 3.960 -0.000 0.000 0.244 230 G HA3 0.058 4.017 3.960 -0.000 0.000 0.244 230 G C 0.569 175.517 174.900 0.079 0.000 1.365 230 G CA -0.304 44.849 45.100 0.088 0.000 1.041 230 G HN 0.571 nan 8.290 nan 0.000 0.560 231 E N -0.912 119.335 120.200 0.079 0.000 2.110 231 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 231 E C 2.065 178.705 176.600 0.067 0.000 0.988 231 E CA 0.962 57.409 56.400 0.080 0.000 0.804 231 E CB 0.075 29.838 29.700 0.106 0.000 0.745 231 E HN 0.421 nan 8.360 nan 0.000 0.458 232 R N -1.312 119.230 120.500 0.070 0.000 2.568 232 R HA 0.235 4.575 4.340 -0.000 0.000 0.254 232 R C -0.645 175.696 176.300 0.068 0.000 0.925 232 R CA -0.080 56.054 56.100 0.058 0.000 1.025 232 R CB 1.961 32.292 30.300 0.051 0.000 1.428 232 R HN -0.102 nan 8.270 nan 0.000 0.573 233 V N 1.171 121.140 119.914 0.092 0.000 2.735 233 V HA 0.379 4.499 4.120 -0.000 0.000 0.310 233 V C -0.291 175.887 176.094 0.141 0.000 1.061 233 V CA -0.595 61.778 62.300 0.121 0.000 0.913 233 V CB 2.298 34.217 31.823 0.160 0.000 1.005 233 V HN -0.002 nan 8.190 nan 0.000 0.428 234 T N 4.288 118.922 114.554 0.134 0.000 2.823 234 T HA 0.443 4.792 4.350 -0.000 0.000 0.279 234 T C -1.219 173.615 174.700 0.223 0.000 0.998 234 T CA -0.273 61.917 62.100 0.150 0.000 0.994 234 T CB 1.195 70.100 68.868 0.063 0.000 0.960 234 T HN 0.676 nan 8.240 nan 0.000 0.448 235 W N 5.177 126.513 121.300 0.059 0.000 2.600 235 W HA 0.601 5.260 4.660 -0.000 0.000 0.325 235 W C -2.098 174.410 176.519 -0.018 0.000 1.034 235 W CA -1.463 55.914 57.345 0.052 0.000 1.226 235 W CB 0.647 30.195 29.460 0.148 0.000 1.379 235 W HN 0.513 nan 8.180 nan 0.000 0.466 236 I N 5.352 125.884 120.570 -0.063 0.000 2.330 236 I HA 0.048 4.218 4.170 -0.000 0.000 0.289 236 I C 0.001 175.981 176.117 -0.228 0.000 1.001 236 I CA -0.664 60.570 61.300 -0.110 0.000 1.193 236 I CB 1.733 39.647 38.000 -0.143 0.000 1.345 236 I HN 0.279 nan 8.210 nan 0.000 0.461 237 Q N 5.713 125.451 119.800 -0.102 0.000 2.377 237 Q HA 0.503 4.843 4.340 -0.000 0.000 0.249 237 Q C -0.439 175.389 176.000 -0.287 0.000 1.005 237 Q CA -0.285 55.354 55.803 -0.273 0.000 0.912 237 Q CB 1.164 29.645 28.738 -0.429 0.000 1.223 237 Q HN 0.734 nan 8.270 nan 0.000 0.459 238 A N 2.727 125.409 122.820 -0.229 0.000 2.354 238 A HA 0.426 4.746 4.320 -0.000 0.000 0.269 238 A C 0.732 178.361 177.584 0.074 0.000 1.109 238 A CA 0.136 52.129 52.037 -0.073 0.000 0.800 238 A CB 0.586 19.541 19.000 -0.075 0.000 1.045 238 A HN 0.933 nan 8.150 nan 0.000 0.489 239 S N 0.348 116.148 115.700 0.168 0.000 2.505 239 S HA 0.203 4.673 4.470 -0.000 0.000 0.216 239 S C 0.684 175.393 174.600 0.182 0.000 1.018 239 S CA 0.713 59.099 58.200 0.310 0.000 0.911 239 S CB -0.322 63.062 63.200 0.307 0.000 0.818 239 S HN 1.417 nan 8.310 nan 0.000 0.497 240 T N -1.695 112.923 114.554 0.106 0.000 2.906 240 T HA 0.541 4.890 4.350 -0.000 0.000 0.295 240 T C 0.922 175.646 174.700 0.040 0.000 1.075 240 T CA -0.907 61.234 62.100 0.068 0.000 1.005 240 T CB 1.277 70.176 68.868 0.052 0.000 1.136 240 T HN -0.131 nan 8.240 nan 0.000 0.498 241 M N 0.678 120.295 119.600 0.028 0.000 2.149 241 M HA -0.078 4.402 4.480 -0.000 0.000 0.261 241 M C 2.091 178.394 176.300 0.004 0.000 1.064 241 M CA 1.816 57.122 55.300 0.011 0.000 1.102 241 M CB -1.330 31.272 32.600 0.004 0.000 1.369 241 M HN 0.961 nan 8.290 nan 0.000 0.408 242 E N 0.399 120.604 120.200 0.009 0.000 2.077 242 E HA -0.205 4.144 4.350 -0.000 0.000 0.193 242 E C 1.811 178.413 176.600 0.003 0.000 0.989 242 E CA 1.317 57.719 56.400 0.004 0.000 0.800 242 E CB 0.128 29.832 29.700 0.007 0.000 0.746 242 E HN 0.547 nan 8.360 nan 0.000 0.452 243 E N 0.175 120.380 120.200 0.009 0.000 2.051 243 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 243 E C 2.180 178.775 176.600 -0.009 0.000 0.991 243 E CA 1.057 57.459 56.400 0.004 0.000 0.799 243 E CB -0.121 29.586 29.700 0.011 0.000 0.748 243 E HN 0.199 nan 8.360 nan 0.000 0.449 244 L N 0.974 122.188 121.223 -0.015 0.000 2.012 244 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 244 L C 2.047 178.901 176.870 -0.026 0.000 1.073 244 L CA 1.655 56.476 54.840 -0.032 0.000 0.748 244 L CB -0.271 41.766 42.059 -0.036 0.000 0.891 244 L HN 0.118 nan 8.230 nan 0.000 0.431 245 L N -0.980 120.232 121.223 -0.019 0.000 2.156 245 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 245 L C 2.214 179.075 176.870 -0.015 0.000 1.095 245 L CA 0.922 55.751 54.840 -0.018 0.000 0.770 245 L CB -0.852 41.197 42.059 -0.016 0.000 0.914 245 L HN 0.281 nan 8.230 nan 0.000 0.439 246 D N 0.321 120.715 120.400 -0.009 0.000 2.117 246 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 246 D C 2.259 178.562 176.300 0.004 0.000 0.987 246 D CA 0.952 54.949 54.000 -0.006 0.000 0.829 246 D CB -0.034 40.766 40.800 0.000 0.000 0.961 246 D HN 0.172 nan 8.370 nan 0.000 0.460 247 L N 0.674 121.906 121.223 0.015 0.000 2.017 247 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 247 L C 2.022 178.921 176.870 0.047 0.000 1.073 247 L CA 1.355 56.224 54.840 0.049 0.000 0.745 247 L CB -0.089 41.979 42.059 0.015 0.000 0.894 247 L HN -0.042 nan 8.230 nan 0.000 0.432 248 K N -0.089 120.314 120.400 0.005 0.000 2.211 248 K HA -0.080 4.240 4.320 -0.000 0.000 0.203 248 K C 1.964 178.554 176.600 -0.016 0.000 1.050 248 K CA 1.187 57.471 56.287 -0.005 0.000 0.945 248 K CB -0.249 32.236 32.500 -0.025 0.000 0.732 248 K HN 0.405 nan 8.250 nan 0.000 0.451 249 A N 1.193 123.998 122.820 -0.026 0.000 1.897 249 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 249 A C 2.125 179.660 177.584 -0.082 0.000 1.181 249 A CA 0.949 52.960 52.037 -0.044 0.000 0.620 249 A CB -0.151 18.826 19.000 -0.037 0.000 0.821 249 A HN 0.201 nan 8.150 nan 0.000 0.443 250 Q N -0.604 119.130 119.800 -0.110 0.000 2.137 250 Q HA -0.028 4.312 4.340 -0.000 0.000 0.198 250 Q C -0.097 175.591 176.000 -0.521 0.000 0.960 250 Q CA 0.879 56.513 55.803 -0.281 0.000 0.847 250 Q CB 0.034 28.615 28.738 -0.261 0.000 0.915 250 Q HN 0.749 nan 8.270 nan 0.000 0.448 251 H N -0.033 119.025 119.070 -0.019 0.000 2.569 251 H HA 0.189 4.745 4.556 -0.000 0.000 0.247 251 H C -1.811 173.504 175.328 -0.022 0.000 1.346 251 H CA -1.728 54.310 56.048 -0.016 0.000 1.502 251 H CB 1.358 31.110 29.762 -0.017 0.000 1.512 251 H HN 0.048 nan 8.280 nan 0.000 0.502 252 P HA -0.113 nan 4.420 nan 0.000 0.230 252 P C 1.015 178.329 177.300 0.023 0.000 1.158 252 P CA 0.785 63.894 63.100 0.015 0.000 0.769 252 P CB 0.392 32.088 31.700 -0.006 0.000 0.807 253 D N 0.331 120.764 120.400 0.055 0.000 2.264 253 D HA -0.068 4.572 4.640 -0.000 0.000 0.208 253 D C 0.840 177.161 176.300 0.034 0.000 0.966 253 D CA 0.185 54.219 54.000 0.056 0.000 0.864 253 D CB -0.783 40.067 40.800 0.084 0.000 0.933 253 D HN 0.054 nan 8.370 nan 0.000 0.499 254 A N 0.826 123.660 122.820 0.024 0.000 2.567 254 A HA 0.104 4.423 4.320 -0.000 0.000 0.240 254 A C 0.297 177.827 177.584 -0.091 0.000 1.053 254 A CA -0.024 51.995 52.037 -0.031 0.000 0.755 254 A CB 0.116 19.093 19.000 -0.037 0.000 0.978 254 A HN 0.044 nan 8.150 nan 0.000 0.507 255 K N 2.561 122.874 120.400 -0.145 0.000 2.234 255 K HA 0.516 4.835 4.320 -0.000 0.000 0.277 255 K C -0.890 175.536 176.600 -0.291 0.000 1.038 255 K CA -0.348 55.779 56.287 -0.267 0.000 0.888 255 K CB 0.497 32.717 32.500 -0.466 0.000 1.091 255 K HN 0.491 nan 8.250 nan 0.000 0.467 256 L N 4.206 125.275 121.223 -0.257 0.000 2.380 256 L HA 0.319 4.659 4.340 -0.000 0.000 0.273 256 L C -0.629 176.076 176.870 -0.275 0.000 1.138 256 L CA 0.051 54.740 54.840 -0.252 0.000 0.832 256 L CB 1.323 43.276 42.059 -0.176 0.000 1.124 256 L HN 0.378 nan 8.230 nan 0.000 0.454 257 V N 4.781 124.504 119.914 -0.319 0.000 2.588 257 V HA 0.437 4.557 4.120 -0.000 0.000 0.304 257 V C 0.268 176.253 176.094 -0.183 0.000 1.042 257 V CA -0.419 61.735 62.300 -0.243 0.000 0.877 257 V CB 1.851 33.491 31.823 -0.304 0.000 0.996 257 V HN 0.620 nan 8.190 nan 0.000 0.425 258 V N 3.410 123.279 119.914 -0.075 0.000 3.669 258 V HA 0.270 4.390 4.120 -0.000 0.000 0.203 258 V C 2.045 178.161 176.094 0.038 0.000 1.149 258 V CA 1.267 63.551 62.300 -0.026 0.000 1.346 258 V CB -0.282 31.523 31.823 -0.030 0.000 1.510 258 V HN 0.860 nan 8.190 nan 0.000 0.506 259 G N -0.675 108.150 108.800 0.041 0.000 2.623 259 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.214 259 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.214 259 G C 0.790 175.753 174.900 0.105 0.000 1.138 259 G CA 0.879 46.023 45.100 0.073 0.000 0.794 259 G HN 0.633 nan 8.290 nan 0.000 0.535 260 N N -0.686 118.070 118.700 0.094 0.000 2.878 260 N HA -0.231 4.508 4.740 -0.000 0.000 0.247 260 N C 1.456 177.043 175.510 0.129 0.000 1.021 260 N CA 1.958 55.081 53.050 0.121 0.000 0.873 260 N CB -1.709 36.881 38.487 0.172 0.000 1.128 260 N HN 0.407 nan 8.380 nan 0.000 0.571 261 T N -4.035 110.591 114.554 0.119 0.000 3.085 261 T HA 0.076 4.425 4.350 -0.000 0.000 0.263 261 T C 1.341 176.119 174.700 0.130 0.000 1.127 261 T CA 1.336 63.516 62.100 0.134 0.000 1.103 261 T CB 0.212 69.165 68.868 0.142 0.000 0.921 261 T HN 0.398 nan 8.240 nan 0.000 0.510 262 E N 0.733 121.001 120.200 0.114 0.000 2.228 262 E HA 0.194 4.544 4.350 -0.000 0.000 0.197 262 E C 1.917 178.598 176.600 0.135 0.000 0.909 262 E CA 0.031 56.496 56.400 0.110 0.000 0.911 262 E CB -0.328 29.419 29.700 0.078 0.000 0.887 262 E HN 0.276 nan 8.360 nan 0.000 0.481 263 I N 1.492 122.128 120.570 0.110 0.000 2.286 263 I HA -0.092 4.078 4.170 -0.000 0.000 0.248 263 I C 2.273 178.521 176.117 0.219 0.000 1.115 263 I CA 1.646 63.035 61.300 0.147 0.000 1.392 263 I CB -1.566 36.464 38.000 0.050 0.000 1.065 263 I HN 0.335 nan 8.210 nan 0.000 0.418 264 G N 1.263 110.180 108.800 0.195 0.000 2.422 264 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 264 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 264 G C 1.616 176.667 174.900 0.252 0.000 1.146 264 G CA 0.282 45.507 45.100 0.208 0.000 0.769 264 G HN 0.210 nan 8.290 nan 0.000 0.547 265 I N 1.062 121.801 120.570 0.283 0.000 2.252 265 I HA -0.077 4.093 4.170 -0.000 0.000 0.245 265 I C 2.551 178.886 176.117 0.363 0.000 1.102 265 I CA 0.991 62.528 61.300 0.395 0.000 1.385 265 I CB -1.270 36.883 38.000 0.256 0.000 1.064 265 I HN 0.326 nan 8.210 nan 0.000 0.414 266 E N 0.400 120.765 120.200 0.274 0.000 2.077 266 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 266 E C 2.325 179.044 176.600 0.197 0.000 0.989 266 E CA 1.323 57.877 56.400 0.256 0.000 0.800 266 E CB -0.100 29.796 29.700 0.327 0.000 0.746 266 E HN 0.453 nan 8.360 nan 0.000 0.452 267 M N 0.142 119.861 119.600 0.197 0.000 2.123 267 M HA -0.106 4.373 4.480 -0.000 0.000 0.263 267 M C 2.320 178.630 176.300 0.016 0.000 1.069 267 M CA 1.151 56.509 55.300 0.095 0.000 1.133 267 M CB 0.001 32.682 32.600 0.135 0.000 1.356 267 M HN -0.139 nan 8.290 nan 0.000 0.415 268 K N 0.295 120.688 120.400 -0.012 0.000 2.186 268 K HA 0.010 4.330 4.320 -0.000 0.000 0.202 268 K C 1.113 177.404 176.600 -0.514 0.000 1.052 268 K CA 1.485 57.595 56.287 -0.294 0.000 0.965 268 K CB 0.043 32.283 32.500 -0.434 0.000 0.746 268 K HN 0.210 nan 8.250 nan 0.000 0.457 269 F N -0.230 119.772 119.950 0.086 0.000 2.694 269 F HA 0.312 4.839 4.527 -0.000 0.000 0.292 269 F C 1.170 177.015 175.800 0.075 0.000 1.121 269 F CA 0.048 58.099 58.000 0.084 0.000 1.352 269 F CB 0.534 39.590 39.000 0.093 0.000 1.107 269 F HN -0.175 nan 8.300 nan 0.000 0.597 270 K N -0.065 120.458 120.400 0.206 0.000 2.373 270 K HA 0.139 4.458 4.320 -0.000 0.000 0.202 270 K C -0.118 176.522 176.600 0.067 0.000 1.025 270 K CA -0.035 56.340 56.287 0.146 0.000 1.115 270 K CB 0.118 32.711 32.500 0.156 0.000 0.858 270 K HN -0.036 nan 8.250 nan 0.000 0.525 271 N N 1.523 120.243 118.700 0.033 0.000 2.710 271 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 271 N C -0.675 174.793 175.510 -0.071 0.000 1.059 271 N CA 1.113 54.153 53.050 -0.017 0.000 0.720 271 N CB -1.065 37.420 38.487 -0.003 0.000 0.983 271 N HN 0.355 nan 8.380 nan 0.000 0.544 272 M N 0.485 120.018 119.600 -0.110 0.000 2.211 272 M HA 0.292 4.772 4.480 -0.000 0.000 0.356 272 M C 0.243 176.264 176.300 -0.465 0.000 1.216 272 M CA -0.256 54.859 55.300 -0.309 0.000 1.134 272 M CB 1.188 33.618 32.600 -0.284 0.000 1.564 272 M HN 0.094 nan 8.290 nan 0.000 0.463 273 L N 4.467 125.342 121.223 -0.579 0.000 2.376 273 L HA 0.550 4.889 4.340 -0.000 0.000 0.275 273 L C -1.888 174.641 176.870 -0.568 0.000 0.987 273 L CA 0.054 54.644 54.840 -0.417 0.000 0.828 273 L CB 1.056 43.011 42.059 -0.174 0.000 1.249 273 L HN 0.491 nan 8.230 nan 0.000 0.409 274 F N 6.978 126.949 119.950 0.036 0.000 2.308 274 F HA 0.458 4.985 4.527 -0.000 0.000 0.370 274 F C -1.336 174.479 175.800 0.025 0.000 1.100 274 F CA -1.429 56.585 58.000 0.023 0.000 1.108 274 F CB 0.986 39.994 39.000 0.015 0.000 1.293 274 F HN 0.461 nan 8.300 nan 0.000 0.478 275 P HA -0.081 nan 4.420 nan 0.000 0.223 275 P C -0.151 177.200 177.300 0.085 0.000 1.151 275 P CA 0.869 64.023 63.100 0.089 0.000 0.787 275 P CB 0.608 32.338 31.700 0.049 0.000 0.788 276 L N -0.230 121.045 121.223 0.086 0.000 2.376 276 L HA 0.485 4.825 4.340 -0.000 0.000 0.275 276 L C -0.968 175.901 176.870 -0.002 0.000 0.987 276 L CA -0.951 53.902 54.840 0.023 0.000 0.828 276 L CB 1.294 43.329 42.059 -0.040 0.000 1.249 276 L HN -0.273 nan 8.230 nan 0.000 0.409 277 I N 4.716 125.257 120.570 -0.049 0.000 2.530 277 I HA 0.568 4.738 4.170 -0.000 0.000 0.297 277 I C -0.966 174.925 176.117 -0.376 0.000 1.011 277 I CA -1.034 60.136 61.300 -0.215 0.000 1.107 277 I CB 2.302 40.169 38.000 -0.221 0.000 1.285 277 I HN 0.382 nan 8.210 nan 0.000 0.436 278 V N 6.209 125.857 119.914 -0.443 0.000 2.487 278 V HA 0.406 4.525 4.120 -0.000 0.000 0.298 278 V C -1.009 174.728 176.094 -0.595 0.000 1.028 278 V CA -0.415 61.601 62.300 -0.474 0.000 0.860 278 V CB 1.604 33.264 31.823 -0.270 0.000 0.991 278 V HN 0.909 nan 8.190 nan 0.000 0.427 279 C N 9.611 128.463 119.300 -0.746 0.000 2.273 279 C HA 0.718 5.178 4.460 -0.000 0.000 0.328 279 C C -1.479 173.314 174.990 -0.328 0.000 1.275 279 C CA -1.248 57.434 59.018 -0.561 0.000 1.704 279 C CB 1.419 28.826 27.740 -0.556 0.000 2.326 279 C HN 0.859 nan 8.230 nan 0.000 0.517 280 P HA 0.176 nan 4.420 nan 0.000 0.272 280 P C 0.840 178.121 177.300 -0.031 0.000 1.408 280 P CA 0.282 63.315 63.100 -0.111 0.000 0.996 280 P CB 0.282 31.929 31.700 -0.090 0.000 1.481 281 A N -0.403 122.392 122.820 -0.043 0.000 2.076 281 A HA -0.128 4.191 4.320 -0.000 0.000 0.220 281 A C 1.611 179.341 177.584 0.244 0.000 1.160 281 A CA 0.961 53.039 52.037 0.068 0.000 0.653 281 A CB -1.431 17.612 19.000 0.072 0.000 0.801 281 A HN 0.194 nan 8.150 nan 0.000 0.455 282 W N -0.190 121.143 121.300 0.056 0.000 2.678 282 W HA 0.256 4.915 4.660 -0.000 0.000 0.256 282 W C 0.373 176.912 176.519 0.034 0.000 1.280 282 W CA -0.766 56.616 57.345 0.061 0.000 1.345 282 W CB -0.714 28.796 29.460 0.083 0.000 1.118 282 W HN 0.108 nan 8.180 nan 0.000 0.629 283 I N 3.257 123.971 120.570 0.239 0.000 2.517 283 I HA -0.034 4.136 4.170 -0.000 0.000 0.285 283 I C -0.973 175.196 176.117 0.087 0.000 1.106 283 I CA -1.356 60.027 61.300 0.139 0.000 1.402 283 I CB 0.904 38.953 38.000 0.081 0.000 1.399 283 I HN -0.359 nan 8.210 nan 0.000 0.535 284 P HA -0.156 nan 4.420 nan 0.000 0.216 284 P C 1.018 178.325 177.300 0.012 0.000 1.150 284 P CA 1.208 64.327 63.100 0.031 0.000 0.837 284 P CB 0.241 31.953 31.700 0.019 0.000 0.786 285 E N -0.679 119.527 120.200 0.009 0.000 2.204 285 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 285 E C 1.672 178.265 176.600 -0.011 0.000 0.989 285 E CA 0.688 57.084 56.400 -0.007 0.000 0.824 285 E CB -0.914 28.781 29.700 -0.009 0.000 0.756 285 E HN 0.245 nan 8.360 nan 0.000 0.477 286 L N 0.663 121.887 121.223 0.002 0.000 2.599 286 L HA 0.079 4.418 4.340 -0.000 0.000 0.230 286 L C 0.950 177.822 176.870 0.003 0.000 1.141 286 L CA 0.314 55.154 54.840 -0.002 0.000 0.877 286 L CB 0.078 42.139 42.059 0.003 0.000 1.009 286 L HN 0.139 nan 8.230 nan 0.000 0.447 287 N N -1.237 117.465 118.700 0.003 0.000 2.143 287 N HA 0.063 4.803 4.740 -0.000 0.000 0.229 287 N C 0.229 175.731 175.510 -0.013 0.000 1.294 287 N CA 0.040 53.091 53.050 0.002 0.000 0.883 287 N CB 1.040 39.532 38.487 0.008 0.000 1.148 287 N HN 0.154 nan 8.380 nan 0.000 0.511 288 S N 0.115 115.798 115.700 -0.029 0.000 2.617 288 S HA 0.564 5.033 4.470 -0.000 0.000 0.269 288 S C 0.141 174.673 174.600 -0.114 0.000 1.292 288 S CA -0.380 57.783 58.200 -0.061 0.000 1.010 288 S CB 2.163 65.325 63.200 -0.063 0.000 0.944 288 S HN -0.131 nan 8.310 nan 0.000 0.536 289 V N 1.860 121.675 119.914 -0.164 0.000 2.447 289 V HA 0.570 4.690 4.120 -0.000 0.000 0.292 289 V C -0.467 175.474 176.094 -0.256 0.000 1.021 289 V CA -0.673 61.422 62.300 -0.341 0.000 0.850 289 V CB 1.260 32.891 31.823 -0.321 0.000 1.005 289 V HN 1.006 nan 8.190 nan 0.000 0.426 290 V N 1.952 121.665 119.914 -0.336 0.000 2.531 290 V HA 0.622 4.742 4.120 -0.000 0.000 0.301 290 V C -0.283 175.676 176.094 -0.225 0.000 1.034 290 V CA -0.478 61.723 62.300 -0.165 0.000 0.865 290 V CB 1.624 33.373 31.823 -0.123 0.000 0.995 290 V HN 0.851 nan 8.190 nan 0.000 0.424 291 H N 3.646 122.621 119.070 -0.157 0.000 2.610 291 H HA 0.658 5.214 4.556 -0.000 0.000 0.336 291 H C 0.491 175.794 175.328 -0.042 0.000 1.087 291 H CA 0.423 56.417 56.048 -0.089 0.000 1.405 291 H CB 2.031 31.776 29.762 -0.028 0.000 1.460 291 H HN 1.080 nan 8.280 nan 0.000 0.538 292 G N 2.041 110.878 108.800 0.062 0.000 2.730 292 G HA2 0.201 4.160 3.960 -0.000 0.000 0.289 292 G HA3 0.201 4.160 3.960 -0.000 0.000 0.289 292 G C -1.823 173.162 174.900 0.141 0.000 1.341 292 G CA -1.187 43.946 45.100 0.055 0.000 0.932 292 G HN 0.301 nan 8.290 nan 0.000 0.481 293 P HA -0.026 nan 4.420 nan 0.000 0.220 293 P C 0.725 178.144 177.300 0.199 0.000 1.148 293 P CA 1.068 64.243 63.100 0.126 0.000 0.803 293 P CB 0.534 32.267 31.700 0.055 0.000 0.782 294 E N -0.611 119.669 120.200 0.133 0.000 2.460 294 E HA 0.293 4.642 4.350 -0.000 0.000 0.200 294 E C 1.307 177.912 176.600 0.009 0.000 1.011 294 E CA 0.468 56.935 56.400 0.112 0.000 0.912 294 E CB 0.909 30.619 29.700 0.017 0.000 0.953 294 E HN 0.293 nan 8.360 nan 0.000 0.494 295 G N 0.539 109.234 108.800 -0.175 0.000 2.368 295 G HA2 0.228 4.188 3.960 -0.000 0.000 0.269 295 G HA3 0.228 4.188 3.960 -0.000 0.000 0.269 295 G C -1.583 173.038 174.900 -0.465 0.000 1.291 295 G CA -0.950 43.742 45.100 -0.680 0.000 0.903 295 G HN -0.000 nan 8.290 nan 0.000 0.483 296 I N 1.377 121.690 120.570 -0.428 0.000 2.418 296 I HA 0.439 4.609 4.170 -0.000 0.000 0.287 296 I C -0.088 175.703 176.117 -0.544 0.000 1.008 296 I CA -0.588 60.350 61.300 -0.605 0.000 1.104 296 I CB 2.056 39.554 38.000 -0.838 0.000 1.264 296 I HN 0.296 nan 8.210 nan 0.000 0.438 297 S N 6.046 121.428 115.700 -0.530 0.000 2.457 297 S HA 0.549 5.018 4.470 -0.000 0.000 0.289 297 S C -0.602 173.674 174.600 -0.541 0.000 1.163 297 S CA -0.373 57.603 58.200 -0.374 0.000 1.078 297 S CB 0.388 63.444 63.200 -0.239 0.000 0.987 297 S HN 0.239 nan 8.310 nan 0.000 0.482 298 F N 1.629 121.448 119.950 -0.218 0.000 2.436 298 F HA 0.499 5.026 4.527 -0.000 0.000 0.340 298 F C 1.198 176.904 175.800 -0.158 0.000 1.113 298 F CA -0.678 57.209 58.000 -0.189 0.000 1.022 298 F CB 1.021 39.898 39.000 -0.204 0.000 1.128 298 F HN 0.648 nan 8.300 nan 0.000 0.466 299 G N 1.078 109.897 108.800 0.033 0.000 2.491 299 G HA2 0.318 4.278 3.960 -0.000 0.000 0.238 299 G HA3 0.318 4.278 3.960 -0.000 0.000 0.238 299 G C 0.796 175.702 174.900 0.010 0.000 1.277 299 G CA -0.012 45.088 45.100 0.000 0.000 0.851 299 G HN 0.950 nan 8.290 nan 0.000 0.573 300 A N 1.389 124.197 122.820 -0.019 0.000 2.067 300 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 300 A C 2.336 179.903 177.584 -0.028 0.000 1.158 300 A CA 1.760 53.778 52.037 -0.032 0.000 0.661 300 A CB -0.062 18.917 19.000 -0.035 0.000 0.801 300 A HN 0.539 nan 8.150 nan 0.000 0.452 301 S N -1.096 114.592 115.700 -0.020 0.000 2.575 301 S HA 0.069 4.538 4.470 -0.000 0.000 0.215 301 S C 0.453 175.035 174.600 -0.030 0.000 0.966 301 S CA -0.370 57.817 58.200 -0.022 0.000 0.911 301 S CB -0.591 62.604 63.200 -0.008 0.000 0.780 301 S HN 0.562 nan 8.310 nan 0.000 0.514 302 C N 4.939 124.223 119.300 -0.027 0.000 2.634 302 C HA 0.222 4.682 4.460 -0.000 0.000 0.418 302 C C -1.842 173.083 174.990 -0.109 0.000 1.373 302 C CA -1.380 57.614 59.018 -0.041 0.000 1.756 302 C CB -0.237 27.514 27.740 0.018 0.000 2.589 302 C HN 0.335 nan 8.230 nan 0.000 0.602 303 P HA 0.123 nan 4.420 nan 0.000 0.274 303 P C 0.582 177.745 177.300 -0.228 0.000 1.231 303 P CA -0.019 62.975 63.100 -0.177 0.000 0.790 303 P CB 0.529 32.102 31.700 -0.213 0.000 0.951 304 L N 1.067 122.133 121.223 -0.262 0.000 2.191 304 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 304 L C 2.550 179.239 176.870 -0.301 0.000 1.103 304 L CA 1.932 56.566 54.840 -0.344 0.000 0.769 304 L CB -1.004 40.767 42.059 -0.479 0.000 0.908 304 L HN 0.453 nan 8.230 nan 0.000 0.438 305 S N 0.439 115.994 115.700 -0.242 0.000 2.383 305 S HA -0.230 4.239 4.470 -0.000 0.000 0.229 305 S C 1.908 176.397 174.600 -0.184 0.000 1.030 305 S CA 1.242 59.323 58.200 -0.198 0.000 1.002 305 S CB -0.644 62.454 63.200 -0.169 0.000 0.829 305 S HN 0.336 nan 8.310 nan 0.000 0.467 306 L N 1.855 122.967 121.223 -0.185 0.000 2.072 306 L HA 0.115 4.455 4.340 -0.000 0.000 0.205 306 L C 2.471 179.263 176.870 -0.130 0.000 1.079 306 L CA 1.293 56.057 54.840 -0.126 0.000 0.752 306 L CB -0.789 41.216 42.059 -0.091 0.000 0.906 306 L HN 0.211 nan 8.230 nan 0.000 0.436 307 V N -0.038 119.693 119.914 -0.305 0.000 2.282 307 V HA -0.347 3.772 4.120 -0.000 0.000 0.249 307 V C 2.587 178.480 176.094 -0.335 0.000 1.057 307 V CA 2.236 64.186 62.300 -0.582 0.000 1.032 307 V CB -0.707 30.638 31.823 -0.796 0.000 0.645 307 V HN 0.518 nan 8.190 nan 0.000 0.447 308 E N 0.395 120.435 120.200 -0.268 0.000 2.051 308 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 308 E C 2.417 178.936 176.600 -0.135 0.000 0.991 308 E CA 1.786 58.067 56.400 -0.199 0.000 0.799 308 E CB -0.189 29.398 29.700 -0.189 0.000 0.748 308 E HN 0.787 nan 8.360 nan 0.000 0.449 309 S N 0.062 115.695 115.700 -0.111 0.000 2.383 309 S HA -0.099 4.371 4.470 -0.000 0.000 0.227 309 S C 2.185 176.758 174.600 -0.045 0.000 1.026 309 S CA 0.942 59.098 58.200 -0.073 0.000 0.981 309 S CB -0.444 62.715 63.200 -0.068 0.000 0.818 309 S HN 0.036 nan 8.310 nan 0.000 0.472 310 V N 2.461 122.366 119.914 -0.015 0.000 2.270 310 V HA -0.074 4.046 4.120 -0.000 0.000 0.245 310 V C 2.587 178.660 176.094 -0.034 0.000 1.043 310 V CA 1.729 64.044 62.300 0.024 0.000 1.014 310 V CB -0.861 31.051 31.823 0.149 0.000 0.645 310 V HN 0.465 nan 8.190 nan 0.000 0.447 311 L N 0.121 121.288 121.223 -0.094 0.000 2.131 311 L HA -0.127 4.212 4.340 -0.000 0.000 0.210 311 L C 2.711 179.536 176.870 -0.075 0.000 1.092 311 L CA 1.374 56.093 54.840 -0.202 0.000 0.759 311 L CB -0.865 41.033 42.059 -0.268 0.000 0.903 311 L HN 0.374 nan 8.230 nan 0.000 0.435 312 A N 0.196 122.983 122.820 -0.056 0.000 1.933 312 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 312 A C 2.173 179.759 177.584 0.003 0.000 1.175 312 A CA 1.563 53.586 52.037 -0.024 0.000 0.628 312 A CB -0.338 18.637 19.000 -0.041 0.000 0.814 312 A HN 0.452 nan 8.150 nan 0.000 0.444 313 E N -0.451 119.749 120.200 -0.001 0.000 2.106 313 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 313 E C 1.952 178.585 176.600 0.054 0.000 0.984 313 E CA 1.010 57.422 56.400 0.019 0.000 0.806 313 E CB -0.093 29.614 29.700 0.013 0.000 0.750 313 E HN 0.533 nan 8.360 nan 0.000 0.458 314 E N 0.673 120.918 120.200 0.075 0.000 2.072 314 E HA -0.138 4.211 4.350 -0.000 0.000 0.191 314 E C 2.160 178.881 176.600 0.202 0.000 0.985 314 E CA 0.715 57.216 56.400 0.168 0.000 0.801 314 E CB -0.116 29.696 29.700 0.187 0.000 0.750 314 E HN 0.341 nan 8.360 nan 0.000 0.452 315 I N 1.089 121.766 120.570 0.178 0.000 2.361 315 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 315 I C 2.371 178.544 176.117 0.095 0.000 1.133 315 I CA 0.990 62.388 61.300 0.163 0.000 1.413 315 I CB -0.176 37.901 38.000 0.129 0.000 1.073 315 I HN -0.010 nan 8.210 nan 0.000 0.424 316 A N 1.356 124.216 122.820 0.068 0.000 1.968 316 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 316 A C 2.223 179.832 177.584 0.042 0.000 1.169 316 A CA 1.695 53.757 52.037 0.042 0.000 0.638 316 A CB -0.289 18.727 19.000 0.025 0.000 0.812 316 A HN 0.545 nan 8.150 nan 0.000 0.446 317 K N -2.062 118.371 120.400 0.055 0.000 2.348 317 K HA 0.342 4.662 4.320 -0.000 0.000 0.194 317 K C -0.170 176.456 176.600 0.043 0.000 1.052 317 K CA -0.240 56.072 56.287 0.041 0.000 1.004 317 K CB -0.044 32.477 32.500 0.035 0.000 0.873 317 K HN 0.182 nan 8.250 nan 0.000 0.523 318 L N 2.622 123.887 121.223 0.070 0.000 2.399 318 L HA 0.401 4.741 4.340 -0.000 0.000 0.265 318 L C -2.299 174.586 176.870 0.026 0.000 1.089 318 L CA -2.485 52.385 54.840 0.050 0.000 0.802 318 L CB 0.358 42.474 42.059 0.095 0.000 1.180 318 L HN 0.019 nan 8.230 nan 0.000 0.454 319 P HA 0.019 nan 4.420 nan 0.000 0.267 319 P C 0.542 177.843 177.300 0.002 0.000 1.200 319 P CA -0.160 62.935 63.100 -0.008 0.000 0.772 319 P CB 0.459 32.142 31.700 -0.029 0.000 0.855 320 E N 2.452 122.661 120.200 0.015 0.000 2.130 320 E HA -0.353 3.997 4.350 -0.000 0.000 0.196 320 E C 1.627 178.242 176.600 0.025 0.000 0.998 320 E CA 1.342 57.759 56.400 0.029 0.000 0.806 320 E CB -0.114 29.607 29.700 0.035 0.000 0.738 320 E HN 0.558 nan 8.360 nan 0.000 0.459 321 Q N 0.471 120.280 119.800 0.014 0.000 2.248 321 Q HA -0.219 4.120 4.340 -0.000 0.000 0.208 321 Q C 1.530 177.497 176.000 -0.055 0.000 0.984 321 Q CA 1.702 57.504 55.803 -0.001 0.000 0.875 321 Q CB 0.020 28.747 28.738 -0.018 0.000 0.910 321 Q HN 0.196 nan 8.270 nan 0.000 0.433 322 K N -0.283 120.069 120.400 -0.081 0.000 2.367 322 K HA 0.035 4.355 4.320 -0.000 0.000 0.194 322 K C 0.927 177.396 176.600 -0.219 0.000 1.027 322 K CA 1.006 57.209 56.287 -0.140 0.000 1.075 322 K CB 0.766 33.156 32.500 -0.183 0.000 0.845 322 K HN 0.305 nan 8.250 nan 0.000 0.529 323 T N -2.300 112.153 114.554 -0.168 0.000 3.228 323 T HA 0.214 4.564 4.350 -0.000 0.000 0.278 323 T C 0.851 175.464 174.700 -0.144 0.000 1.014 323 T CA -0.419 61.541 62.100 -0.234 0.000 0.904 323 T CB 0.412 69.311 68.868 0.051 0.000 1.110 323 T HN -0.081 nan 8.240 nan 0.000 0.541 324 E N 1.197 121.323 120.200 -0.123 0.000 2.072 324 E HA -0.053 4.296 4.350 -0.000 0.000 0.191 324 E C 2.064 178.606 176.600 -0.096 0.000 0.985 324 E CA 0.963 57.368 56.400 0.008 0.000 0.801 324 E CB -0.066 29.711 29.700 0.128 0.000 0.750 324 E HN 0.450 nan 8.360 nan 0.000 0.452 325 V N 1.158 120.879 119.914 -0.322 0.000 2.407 325 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 325 V C 2.160 178.133 176.094 -0.202 0.000 1.041 325 V CA 1.175 63.112 62.300 -0.605 0.000 1.040 325 V CB -0.574 30.913 31.823 -0.559 0.000 0.671 325 V HN 0.086 nan 8.190 nan 0.000 0.455 326 F N 1.108 120.954 119.950 -0.172 0.000 2.126 326 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 326 F C 2.569 178.315 175.800 -0.089 0.000 1.096 326 F CA 1.216 59.153 58.000 -0.104 0.000 1.255 326 F CB -1.133 37.846 39.000 -0.036 0.000 0.997 326 F HN 0.115 nan 8.300 nan 0.000 0.479 327 R N -0.222 120.361 120.500 0.140 0.000 2.120 327 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 327 R C 2.558 178.881 176.300 0.038 0.000 1.123 327 R CA 1.056 57.201 56.100 0.075 0.000 0.975 327 R CB -0.987 29.358 30.300 0.075 0.000 0.866 327 R HN 0.375 nan 8.270 nan 0.000 0.446 328 G N 0.314 109.139 108.800 0.042 0.000 2.402 328 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 328 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 328 G C 1.441 176.338 174.900 -0.006 0.000 1.162 328 G CA 0.564 45.723 45.100 0.098 0.000 0.777 328 G HN 0.115 nan 8.290 nan 0.000 0.539 329 V N 1.348 121.225 119.914 -0.063 0.000 2.295 329 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 329 V C 2.979 179.015 176.094 -0.098 0.000 1.049 329 V CA 1.746 63.986 62.300 -0.100 0.000 1.024 329 V CB -0.358 31.417 31.823 -0.080 0.000 0.648 329 V HN 0.270 nan 8.190 nan 0.000 0.447 330 M N -0.778 118.777 119.600 -0.074 0.000 2.159 330 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 330 M C 2.218 178.452 176.300 -0.109 0.000 1.063 330 M CA 1.528 56.769 55.300 -0.099 0.000 1.110 330 M CB -1.178 31.381 32.600 -0.068 0.000 1.374 330 M HN 0.309 nan 8.290 nan 0.000 0.411 331 E N 0.189 120.347 120.200 -0.070 0.000 2.150 331 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 331 E C 2.102 178.679 176.600 -0.037 0.000 0.985 331 E CA 0.861 57.224 56.400 -0.062 0.000 0.814 331 E CB -0.148 29.538 29.700 -0.024 0.000 0.752 331 E HN 0.485 nan 8.360 nan 0.000 0.466 332 Q N -0.153 119.633 119.800 -0.023 0.000 2.187 332 Q HA 0.029 4.369 4.340 -0.000 0.000 0.199 332 Q C 2.392 178.437 176.000 0.074 0.000 0.957 332 Q CA 0.492 56.325 55.803 0.051 0.000 0.857 332 Q CB -0.060 28.687 28.738 0.016 0.000 0.929 332 Q HN 0.338 nan 8.270 nan 0.000 0.453 333 L N 0.116 121.313 121.223 -0.044 0.000 2.291 333 L HA -0.069 4.271 4.340 -0.000 0.000 0.214 333 L C 2.405 179.200 176.870 -0.124 0.000 1.120 333 L CA 0.470 55.265 54.840 -0.075 0.000 0.799 333 L CB -0.229 41.707 42.059 -0.206 0.000 0.925 333 L HN 0.140 nan 8.230 nan 0.000 0.446 334 R N -0.332 119.987 120.500 -0.302 0.000 2.117 334 R HA -0.194 4.146 4.340 -0.000 0.000 0.243 334 R C 0.977 176.901 176.300 -0.627 0.000 1.143 334 R CA 1.940 57.647 56.100 -0.655 0.000 0.968 334 R CB -0.225 29.354 30.300 -1.202 0.000 0.863 334 R HN 0.421 nan 8.270 nan 0.000 0.444 335 W N -0.912 120.416 121.300 0.047 0.000 3.015 335 W HA 0.243 4.903 4.660 -0.000 0.000 0.429 335 W C -0.376 176.188 176.519 0.075 0.000 0.976 335 W CA -1.057 56.305 57.345 0.027 0.000 2.086 335 W CB 0.263 29.710 29.460 -0.021 0.000 1.125 335 W HN -0.108 nan 8.180 nan 0.000 0.721 336 F N 1.744 121.733 119.950 0.065 0.000 2.303 336 F HA 0.619 5.146 4.527 -0.000 0.000 0.368 336 F C 1.012 176.831 175.800 0.032 0.000 1.105 336 F CA -0.196 57.827 58.000 0.038 0.000 1.153 336 F CB -0.175 38.814 39.000 -0.018 0.000 1.362 336 F HN 0.083 nan 8.300 nan 0.000 0.511 337 A N 3.513 126.455 122.820 0.203 0.000 5.479 337 A HA 0.023 4.343 4.320 -0.000 0.000 0.301 337 A C 0.630 178.319 177.584 0.175 0.000 1.961 337 A CA 0.832 52.979 52.037 0.184 0.000 0.716 337 A CB -1.963 17.190 19.000 0.254 0.000 1.266 337 A HN 1.523 nan 8.150 nan 0.000 0.372 338 G N -3.536 105.355 108.800 0.152 0.000 2.782 338 G HA2 0.543 4.503 3.960 -0.000 0.000 0.304 338 G HA3 0.543 4.503 3.960 -0.000 0.000 0.304 338 G C 0.156 175.096 174.900 0.066 0.000 1.315 338 G CA 0.525 45.683 45.100 0.096 0.000 0.791 338 G HN 0.679 nan 8.290 nan 0.000 0.519 339 K N -0.415 120.002 120.400 0.030 0.000 2.103 339 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 339 K C 2.545 179.179 176.600 0.057 0.000 1.052 339 K CA 1.240 57.534 56.287 0.011 0.000 0.945 339 K CB -0.272 32.214 32.500 -0.023 0.000 0.722 339 K HN 0.439 nan 8.250 nan 0.000 0.443 340 Q N 0.459 120.312 119.800 0.088 0.000 2.084 340 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 340 Q C 2.215 178.290 176.000 0.125 0.000 0.978 340 Q CA 1.196 57.073 55.803 0.123 0.000 0.844 340 Q CB -0.435 28.381 28.738 0.129 0.000 0.898 340 Q HN 0.002 nan 8.270 nan 0.000 0.426 341 V N 0.751 120.740 119.914 0.124 0.000 2.323 341 V HA -0.216 3.904 4.120 -0.000 0.000 0.244 341 V C 1.850 177.994 176.094 0.084 0.000 1.041 341 V CA 1.696 64.077 62.300 0.135 0.000 1.025 341 V CB -0.364 31.573 31.823 0.190 0.000 0.656 341 V HN 0.313 nan 8.190 nan 0.000 0.451 342 K N -0.029 120.396 120.400 0.041 0.000 2.283 342 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 342 K C 2.248 178.787 176.600 -0.102 0.000 1.048 342 K CA 1.304 57.541 56.287 -0.083 0.000 0.948 342 K CB -0.196 32.225 32.500 -0.133 0.000 0.742 342 K HN 0.330 nan 8.250 nan 0.000 0.458 343 S N 0.448 116.120 115.700 -0.046 0.000 2.453 343 S HA -0.070 4.400 4.470 -0.000 0.000 0.231 343 S C 1.864 176.348 174.600 -0.194 0.000 1.005 343 S CA 1.200 59.326 58.200 -0.123 0.000 0.949 343 S CB 0.153 63.398 63.200 0.074 0.000 0.774 343 S HN 0.321 nan 8.310 nan 0.000 0.510 344 V N -2.345 117.539 119.914 -0.051 0.000 3.484 344 V HA 0.579 4.699 4.120 -0.000 0.000 0.252 344 V C 0.723 176.808 176.094 -0.016 0.000 1.282 344 V CA 0.032 62.319 62.300 -0.022 0.000 1.104 344 V CB -0.709 31.165 31.823 0.085 0.000 0.868 344 V HN 0.255 nan 8.190 nan 0.000 0.457 345 A N 2.601 125.418 122.820 -0.004 0.000 2.520 345 A HA 0.553 4.873 4.320 -0.000 0.000 0.245 345 A C 0.697 178.242 177.584 -0.064 0.000 1.072 345 A CA 0.798 52.837 52.037 0.003 0.000 0.761 345 A CB -0.286 18.737 19.000 0.037 0.000 1.004 345 A HN 1.108 nan 8.150 nan 0.000 0.499 346 S N 2.432 118.111 115.700 -0.035 0.000 2.617 346 S HA 0.444 4.913 4.470 -0.000 0.000 0.283 346 S C 1.056 175.623 174.600 -0.054 0.000 1.189 346 S CA -0.294 57.870 58.200 -0.060 0.000 1.036 346 S CB 1.041 64.219 63.200 -0.037 0.000 1.014 346 S HN 0.791 nan 8.310 nan 0.000 0.522 347 I N 1.819 122.335 120.570 -0.089 0.000 2.226 347 I HA -0.008 4.162 4.170 -0.000 0.000 0.245 347 I C 2.136 178.259 176.117 0.011 0.000 1.100 347 I CA 1.788 63.052 61.300 -0.060 0.000 1.374 347 I CB -0.872 37.037 38.000 -0.153 0.000 1.057 347 I HN 0.907 nan 8.210 nan 0.000 0.413 348 G N -0.049 108.740 108.800 -0.017 0.000 2.408 348 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 348 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 348 G C 1.612 176.540 174.900 0.047 0.000 1.150 348 G CA 0.617 45.722 45.100 0.009 0.000 0.776 348 G HN 0.538 nan 8.290 nan 0.000 0.542 349 G N 0.855 109.676 108.800 0.034 0.000 2.476 349 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.218 349 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.218 349 G C 1.713 176.672 174.900 0.098 0.000 1.164 349 G CA 1.198 46.329 45.100 0.051 0.000 0.768 349 G HN 0.492 nan 8.290 nan 0.000 0.560 350 N N 0.410 119.189 118.700 0.131 0.000 2.142 350 N HA -0.046 4.693 4.740 -0.000 0.000 0.186 350 N C 2.382 178.021 175.510 0.215 0.000 1.023 350 N CA 0.980 54.143 53.050 0.189 0.000 0.852 350 N CB -0.114 38.519 38.487 0.242 0.000 0.998 350 N HN 0.387 nan 8.380 nan 0.000 0.424 351 I N 1.016 121.735 120.570 0.248 0.000 2.179 351 I HA -0.235 3.934 4.170 -0.000 0.000 0.242 351 I C 1.922 178.264 176.117 0.375 0.000 1.088 351 I CA 0.767 62.277 61.300 0.349 0.000 1.357 351 I CB -0.085 38.064 38.000 0.248 0.000 1.051 351 I HN 0.138 nan 8.210 nan 0.000 0.409 352 I N 0.172 120.881 120.570 0.232 0.000 2.617 352 I HA -0.135 4.035 4.170 -0.000 0.000 0.256 352 I C 2.501 178.693 176.117 0.126 0.000 1.167 352 I CA 1.208 62.617 61.300 0.183 0.000 1.469 352 I CB -1.600 36.453 38.000 0.088 0.000 1.098 352 I HN 0.204 nan 8.210 nan 0.000 0.436 353 T N 1.543 116.159 114.554 0.102 0.000 2.759 353 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 353 T C 1.357 176.073 174.700 0.026 0.000 1.042 353 T CA 1.468 63.598 62.100 0.049 0.000 1.140 353 T CB -0.312 68.587 68.868 0.052 0.000 0.864 353 T HN 0.545 nan 8.240 nan 0.000 0.455 354 A N 1.290 124.160 122.820 0.084 0.000 2.791 354 A HA -0.142 4.178 4.320 -0.000 0.000 0.292 354 A C 0.898 178.394 177.584 -0.146 0.000 1.487 354 A CA 0.713 52.752 52.037 0.005 0.000 0.760 354 A CB -2.217 16.882 19.000 0.165 0.000 1.031 354 A HN 0.552 nan 8.150 nan 0.000 0.503 355 S N -0.479 115.159 115.700 -0.105 0.000 2.564 355 S HA 0.489 4.958 4.470 -0.000 0.000 0.278 355 S C -0.510 174.028 174.600 -0.103 0.000 1.333 355 S CA -0.672 57.472 58.200 -0.092 0.000 1.048 355 S CB 0.646 63.820 63.200 -0.044 0.000 0.900 355 S HN 0.275 nan 8.310 nan 0.000 0.505 356 P HA -0.054 nan 4.420 nan 0.000 0.219 356 P C 0.654 177.938 177.300 -0.026 0.000 1.146 356 P CA 0.897 63.991 63.100 -0.011 0.000 0.808 356 P CB -0.135 31.611 31.700 0.076 0.000 0.779 357 I N -5.481 115.074 120.570 -0.025 0.000 3.914 357 I HA 0.260 4.430 4.170 -0.000 0.000 0.333 357 I C 0.448 176.532 176.117 -0.056 0.000 1.449 357 I CA -1.068 60.214 61.300 -0.029 0.000 1.135 357 I CB -0.973 37.013 38.000 -0.024 0.000 1.073 357 I HN -0.300 nan 8.210 nan 0.000 0.401 358 S N 1.484 117.145 115.700 -0.065 0.000 2.563 358 S HA -0.049 4.421 4.470 -0.000 0.000 0.294 358 S C 0.986 175.557 174.600 -0.049 0.000 1.279 358 S CA 0.225 58.393 58.200 -0.053 0.000 1.069 358 S CB 0.108 63.285 63.200 -0.039 0.000 0.828 358 S HN 0.468 nan 8.310 nan 0.000 0.497 359 D N 3.882 124.260 120.400 -0.038 0.000 2.348 359 D HA 0.065 4.705 4.640 -0.000 0.000 0.211 359 D C 1.453 177.715 176.300 -0.064 0.000 0.998 359 D CA 0.663 54.650 54.000 -0.023 0.000 0.873 359 D CB 0.220 41.031 40.800 0.020 0.000 0.925 359 D HN 0.530 nan 8.370 nan 0.000 0.524 360 L N 0.266 121.434 121.223 -0.092 0.000 2.425 360 L HA 0.065 4.405 4.340 -0.000 0.000 0.215 360 L C 1.921 178.457 176.870 -0.556 0.000 1.065 360 L CA 0.074 54.657 54.840 -0.429 0.000 0.842 360 L CB -0.135 41.660 42.059 -0.441 0.000 1.033 360 L HN -0.187 nan 8.230 nan 0.000 0.474 361 N N 0.833 119.447 118.700 -0.144 0.000 2.137 361 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 361 N C -0.914 174.627 175.510 0.052 0.000 1.017 361 N CA 1.503 54.598 53.050 0.075 0.000 0.859 361 N CB -1.329 37.218 38.487 0.100 0.000 1.002 361 N HN 0.255 nan 8.380 nan 0.000 0.428 362 P HA -0.020 nan 4.420 nan 0.000 0.219 362 P C 1.692 178.988 177.300 -0.007 0.000 1.150 362 P CA 0.562 63.650 63.100 -0.021 0.000 0.814 362 P CB 0.178 31.835 31.700 -0.073 0.000 0.787 363 V N -1.338 118.527 119.914 -0.082 0.000 2.407 363 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 363 V C 2.068 178.209 176.094 0.079 0.000 1.041 363 V CA 1.592 63.917 62.300 0.042 0.000 1.040 363 V CB -1.286 30.447 31.823 -0.151 0.000 0.671 363 V HN -0.048 nan 8.190 nan 0.000 0.455 364 F N -0.644 119.340 119.950 0.056 0.000 2.171 364 F HA -0.150 4.376 4.527 -0.000 0.000 0.300 364 F C 2.329 178.149 175.800 0.034 0.000 1.090 364 F CA 1.524 59.529 58.000 0.010 0.000 1.293 364 F CB -0.942 38.048 39.000 -0.016 0.000 1.013 364 F HN 0.105 nan 8.300 nan 0.000 0.486 365 M N -0.063 119.688 119.600 0.252 0.000 2.099 365 M HA -0.083 4.397 4.480 -0.000 0.000 0.262 365 M C 2.292 178.688 176.300 0.161 0.000 1.067 365 M CA 1.860 57.280 55.300 0.200 0.000 1.124 365 M CB -0.212 32.531 32.600 0.239 0.000 1.353 365 M HN 0.087 nan 8.290 nan 0.000 0.410 366 A N -0.293 122.625 122.820 0.164 0.000 2.015 366 A HA -0.101 4.218 4.320 -0.000 0.000 0.219 366 A C 2.030 179.763 177.584 0.249 0.000 1.163 366 A CA 1.723 53.853 52.037 0.155 0.000 0.646 366 A CB -0.750 18.290 19.000 0.067 0.000 0.806 366 A HN 0.697 nan 8.150 nan 0.000 0.448 367 S N -1.557 114.297 115.700 0.256 0.000 2.575 367 S HA 0.380 4.849 4.470 -0.000 0.000 0.215 367 S C 1.246 175.887 174.600 0.068 0.000 0.966 367 S CA 0.782 59.066 58.200 0.141 0.000 0.911 367 S CB -0.545 62.641 63.200 -0.025 0.000 0.780 367 S HN 1.806 nan 8.310 nan 0.000 0.514 368 G N 1.631 110.477 108.800 0.078 0.000 2.356 368 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.296 368 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.296 368 G C 0.322 175.209 174.900 -0.022 0.000 1.022 368 G CA -0.002 45.115 45.100 0.028 0.000 0.961 368 G HN 1.327 nan 8.290 nan 0.000 0.510 369 A N -0.315 122.490 122.820 -0.024 0.000 2.565 369 A HA 0.443 4.763 4.320 -0.000 0.000 0.237 369 A C 0.869 178.352 177.584 -0.169 0.000 1.053 369 A CA 1.056 53.028 52.037 -0.109 0.000 0.755 369 A CB 0.300 19.185 19.000 -0.193 0.000 0.980 369 A HN 0.827 nan 8.150 nan 0.000 0.506 370 K N 2.741 123.043 120.400 -0.162 0.000 2.258 370 K HA 0.498 4.818 4.320 -0.000 0.000 0.284 370 K C -0.973 175.508 176.600 -0.199 0.000 1.051 370 K CA -0.197 55.995 56.287 -0.158 0.000 0.923 370 K CB 0.228 32.659 32.500 -0.115 0.000 1.046 370 K HN 0.655 nan 8.250 nan 0.000 0.474 371 L N 3.217 124.311 121.223 -0.216 0.000 2.322 371 L HA 0.385 4.725 4.340 -0.000 0.000 0.279 371 L C -0.094 176.701 176.870 -0.125 0.000 1.036 371 L CA -0.844 53.869 54.840 -0.212 0.000 0.807 371 L CB 2.000 43.878 42.059 -0.302 0.000 1.226 371 L HN 0.635 nan 8.230 nan 0.000 0.433 372 T N 3.889 118.383 114.554 -0.100 0.000 2.792 372 T HA 0.606 4.955 4.350 -0.000 0.000 0.280 372 T C -0.342 174.333 174.700 -0.041 0.000 0.990 372 T CA -0.416 61.645 62.100 -0.064 0.000 0.960 372 T CB 1.110 69.939 68.868 -0.065 0.000 0.939 372 T HN 0.276 nan 8.240 nan 0.000 0.439 373 L N 3.993 125.202 121.223 -0.023 0.000 2.341 373 L HA 0.829 5.169 4.340 -0.000 0.000 0.278 373 L C -0.242 176.618 176.870 -0.017 0.000 1.005 373 L CA -1.238 53.596 54.840 -0.009 0.000 0.818 373 L CB 1.716 43.781 42.059 0.010 0.000 1.259 373 L HN 0.429 nan 8.230 nan 0.000 0.418 374 V N -0.089 119.813 119.914 -0.019 0.000 2.962 374 V HA 0.915 5.035 4.120 -0.000 0.000 0.313 374 V C -0.212 175.869 176.094 -0.021 0.000 1.099 374 V CA -0.455 61.833 62.300 -0.021 0.000 0.971 374 V CB 1.741 33.551 31.823 -0.022 0.000 1.028 374 V HN 0.860 nan 8.190 nan 0.000 0.430 375 S N 2.628 118.316 115.700 -0.021 0.000 2.740 375 S HA 0.550 5.020 4.470 -0.000 0.000 0.300 375 S C 0.837 175.425 174.600 -0.020 0.000 1.147 375 S CA -0.297 57.890 58.200 -0.022 0.000 0.871 375 S CB 1.884 65.070 63.200 -0.023 0.000 1.173 375 S HN 1.071 nan 8.310 nan 0.000 0.510 376 R N 0.056 120.544 120.500 -0.020 0.000 2.103 376 R HA -0.079 4.261 4.340 -0.000 0.000 0.242 376 R C 1.399 177.690 176.300 -0.016 0.000 1.142 376 R CA 2.032 58.121 56.100 -0.018 0.000 0.960 376 R CB -1.036 29.253 30.300 -0.018 0.000 0.858 376 R HN 0.843 nan 8.270 nan 0.000 0.439 377 G N -0.364 108.426 108.800 -0.018 0.000 3.453 377 G HA2 0.117 4.077 3.960 -0.000 0.000 0.263 377 G HA3 0.117 4.077 3.960 -0.000 0.000 0.263 377 G C -0.346 174.544 174.900 -0.016 0.000 1.060 377 G CA 0.329 45.419 45.100 -0.016 0.000 0.793 377 G HN 0.444 nan 8.290 nan 0.000 0.532 378 T N -2.573 111.971 114.554 -0.017 0.000 2.896 378 T HA 0.755 5.105 4.350 -0.000 0.000 0.297 378 T C -1.045 173.644 174.700 -0.018 0.000 1.108 378 T CA -0.988 61.101 62.100 -0.017 0.000 1.004 378 T CB 3.111 71.968 68.868 -0.018 0.000 1.159 378 T HN 0.163 nan 8.240 nan 0.000 0.499 379 R N 0.932 121.422 120.500 -0.018 0.000 2.515 379 R HA 0.620 4.960 4.340 -0.000 0.000 0.278 379 R C -1.075 175.214 176.300 -0.020 0.000 1.107 379 R CA -0.708 55.380 56.100 -0.020 0.000 0.945 379 R CB 1.376 31.664 30.300 -0.021 0.000 1.219 379 R HN 1.051 nan 8.270 nan 0.000 0.434 380 R N 0.546 121.034 120.500 -0.020 0.000 2.764 380 R HA 0.604 4.943 4.340 -0.000 0.000 0.270 380 R C -1.508 174.778 176.300 -0.024 0.000 1.014 380 R CA -0.870 55.218 56.100 -0.020 0.000 0.904 380 R CB 1.928 32.219 30.300 -0.015 0.000 1.236 380 R HN 0.571 nan 8.270 nan 0.000 0.466 381 T N -1.498 113.040 114.554 -0.026 0.000 2.907 381 T HA 0.684 5.034 4.350 -0.000 0.000 0.292 381 T C -0.233 174.447 174.700 -0.034 0.000 1.043 381 T CA -0.603 61.475 62.100 -0.038 0.000 1.003 381 T CB 1.791 70.630 68.868 -0.049 0.000 1.084 381 T HN 0.892 nan 8.240 nan 0.000 0.483 382 V N -0.522 119.362 119.914 -0.051 0.000 2.925 382 V HA 0.724 4.844 4.120 -0.000 0.000 0.311 382 V C -0.673 175.362 176.094 -0.099 0.000 1.104 382 V CA -1.413 60.859 62.300 -0.047 0.000 0.954 382 V CB 1.876 33.705 31.823 0.010 0.000 1.022 382 V HN 1.033 nan 8.190 nan 0.000 0.427 383 R N 3.481 123.934 120.500 -0.078 0.000 2.308 383 R HA 0.488 4.828 4.340 -0.000 0.000 0.305 383 R C -0.025 176.204 176.300 -0.117 0.000 1.053 383 R CA -0.630 55.413 56.100 -0.095 0.000 0.957 383 R CB 1.573 31.845 30.300 -0.047 0.000 1.022 383 R HN 0.938 nan 8.270 nan 0.000 0.461 384 M N 4.005 123.491 119.600 -0.189 0.000 2.238 384 M HA -0.037 4.442 4.480 -0.000 0.000 0.350 384 M C -0.768 175.511 176.300 -0.035 0.000 1.321 384 M CA 0.865 56.021 55.300 -0.241 0.000 1.097 384 M CB 0.279 32.714 32.600 -0.275 0.000 1.713 384 M HN 0.711 nan 8.290 nan 0.000 0.455 385 D N 2.359 122.771 120.400 0.020 0.000 2.812 385 D HA 0.121 4.760 4.640 -0.000 0.000 0.318 385 D C 0.711 177.102 176.300 0.153 0.000 1.234 385 D CA -0.275 53.792 54.000 0.112 0.000 0.989 385 D CB -0.033 40.826 40.800 0.098 0.000 1.442 385 D HN 0.719 nan 8.370 nan 0.000 0.537 386 H N -1.079 118.086 119.070 0.158 0.000 2.457 386 H HA -0.113 4.443 4.556 -0.000 0.000 0.297 386 H C 1.276 176.714 175.328 0.183 0.000 1.092 386 H CA 2.236 58.403 56.048 0.198 0.000 1.309 386 H CB -0.939 28.912 29.762 0.149 0.000 1.382 386 H HN 0.512 nan 8.280 nan 0.000 0.535 387 T N -2.232 111.970 114.554 -0.587 0.000 3.035 387 T HA -0.136 4.213 4.350 -0.000 0.000 0.268 387 T C 1.792 176.409 174.700 -0.138 0.000 1.109 387 T CA 0.504 62.388 62.100 -0.360 0.000 1.119 387 T CB -0.948 67.721 68.868 -0.331 0.000 0.900 387 T HN 0.279 nan 8.240 nan 0.000 0.503 388 F N 1.485 121.269 119.950 -0.278 0.000 2.293 388 F HA 0.317 4.844 4.527 -0.000 0.000 0.300 388 F C 0.047 175.545 175.800 -0.503 0.000 1.086 388 F CA -0.411 57.330 58.000 -0.432 0.000 1.375 388 F CB -0.078 38.547 39.000 -0.625 0.000 1.045 388 F HN 0.156 nan 8.300 nan 0.000 0.516 389 F N 2.037 122.008 119.950 0.033 0.000 2.310 389 F HA 0.333 4.860 4.527 -0.000 0.000 0.365 389 F C -1.675 174.121 175.800 -0.007 0.000 1.080 389 F CA -1.928 56.064 58.000 -0.013 0.000 1.187 389 F CB 0.527 39.593 39.000 0.111 0.000 1.465 389 F HN -0.174 nan 8.300 nan 0.000 0.496 390 P HA 0.186 nan 4.420 nan 0.000 0.245 390 P C 0.435 177.788 177.300 0.090 0.000 1.206 390 P CA 0.533 63.667 63.100 0.056 0.000 0.781 390 P CB 0.888 32.580 31.700 -0.014 0.000 0.994 391 G N -1.095 107.775 108.800 0.117 0.000 2.368 391 G HA2 0.199 4.159 3.960 -0.000 0.000 0.293 391 G HA3 0.199 4.159 3.960 -0.000 0.000 0.293 391 G C -2.039 172.953 174.900 0.155 0.000 1.467 391 G CA -0.810 44.368 45.100 0.129 0.000 0.804 391 G HN -0.102 nan 8.290 nan 0.000 0.535 392 Y N 1.844 122.172 120.300 0.046 0.000 2.802 392 Y HA 0.210 4.760 4.550 -0.000 0.000 0.333 392 Y C 1.852 177.779 175.900 0.045 0.000 1.244 392 Y CA 1.337 59.460 58.100 0.038 0.000 1.558 392 Y CB 0.109 38.585 38.460 0.027 0.000 1.233 392 Y HN 0.742 nan 8.280 nan 0.000 0.547 393 R N 2.001 122.202 120.500 -0.498 0.000 3.847 393 R HA -0.265 4.075 4.340 -0.000 0.000 0.304 393 R C -0.466 175.755 176.300 -0.131 0.000 1.203 393 R CA 1.186 57.045 56.100 -0.402 0.000 0.835 393 R CB -1.361 28.575 30.300 -0.608 0.000 1.253 393 R HN 0.591 nan 8.270 nan 0.000 0.516 394 K N 0.771 121.151 120.400 -0.034 0.000 2.166 394 K HA 0.442 4.762 4.320 -0.000 0.000 0.245 394 K C 0.659 177.252 176.600 -0.011 0.000 0.967 394 K CA -0.114 56.162 56.287 -0.019 0.000 0.863 394 K CB 1.927 34.421 32.500 -0.009 0.000 1.107 394 K HN 0.151 nan 8.250 nan 0.000 0.436 395 T N -2.181 112.276 114.554 -0.161 0.000 2.831 395 T HA 0.293 4.642 4.350 -0.000 0.000 0.287 395 T C 0.640 175.035 174.700 -0.508 0.000 1.070 395 T CA -0.896 60.900 62.100 -0.508 0.000 1.010 395 T CB 0.529 68.952 68.868 -0.742 0.000 1.264 395 T HN 0.349 nan 8.240 nan 0.000 0.532 396 L N -0.702 120.071 121.223 -0.751 0.000 2.599 396 L HA 0.452 4.792 4.340 -0.000 0.000 0.230 396 L C 0.286 176.998 176.870 -0.264 0.000 1.141 396 L CA 0.083 54.686 54.840 -0.395 0.000 0.877 396 L CB -1.780 40.086 42.059 -0.321 0.000 1.009 396 L HN 0.414 nan 8.230 nan 0.000 0.447 397 L N 1.228 122.287 121.223 -0.273 0.000 2.514 397 L HA 0.124 4.463 4.340 -0.000 0.000 0.280 397 L C 1.003 177.813 176.870 -0.100 0.000 1.223 397 L CA 0.797 55.558 54.840 -0.131 0.000 0.864 397 L CB -0.022 41.980 42.059 -0.095 0.000 1.118 397 L HN 0.292 nan 8.230 nan 0.000 0.494 398 R N 4.333 124.792 120.500 -0.067 0.000 2.615 398 R HA 0.159 4.499 4.340 -0.000 0.000 0.270 398 R C -1.477 174.796 176.300 -0.045 0.000 1.081 398 R CA -1.456 54.613 56.100 -0.052 0.000 1.154 398 R CB -0.075 30.201 30.300 -0.041 0.000 1.063 398 R HN 0.420 nan 8.270 nan 0.000 0.519 399 P HA -0.212 nan 4.420 nan 0.000 0.218 399 P C 0.727 178.008 177.300 -0.030 0.000 1.148 399 P CA 1.312 64.394 63.100 -0.031 0.000 0.822 399 P CB 0.185 31.872 31.700 -0.021 0.000 0.784 400 E N -0.419 119.763 120.200 -0.030 0.000 2.479 400 E HA 0.026 4.375 4.350 -0.000 0.000 0.193 400 E C 0.197 176.779 176.600 -0.030 0.000 1.049 400 E CA 0.314 56.697 56.400 -0.029 0.000 0.870 400 E CB -0.185 29.498 29.700 -0.029 0.000 0.944 400 E HN 0.310 nan 8.360 nan 0.000 0.492 401 E N 0.819 121.000 120.200 -0.032 0.000 2.283 401 E HA 0.474 4.824 4.350 -0.000 0.000 0.267 401 E C -0.122 176.460 176.600 -0.030 0.000 1.045 401 E CA -0.687 55.695 56.400 -0.029 0.000 0.884 401 E CB 1.231 30.915 29.700 -0.027 0.000 1.106 401 E HN 0.199 nan 8.360 nan 0.000 0.408 402 I N -1.192 119.362 120.570 -0.026 0.000 2.892 402 I HA 0.385 4.554 4.170 -0.000 0.000 0.306 402 I C -1.158 174.950 176.117 -0.014 0.000 1.078 402 I CA -1.286 59.999 61.300 -0.026 0.000 1.032 402 I CB 0.963 38.941 38.000 -0.036 0.000 1.229 402 I HN 0.277 nan 8.210 nan 0.000 0.435 403 L N 3.601 124.820 121.223 -0.007 0.000 2.313 403 L HA 0.345 4.685 4.340 -0.000 0.000 0.282 403 L C 0.385 177.240 176.870 -0.025 0.000 1.092 403 L CA 0.061 54.898 54.840 -0.005 0.000 0.831 403 L CB 1.024 43.092 42.059 0.014 0.000 1.159 403 L HN 0.858 nan 8.230 nan 0.000 0.442 404 L N 3.921 125.124 121.223 -0.034 0.000 2.168 404 L HA 0.344 4.684 4.340 -0.000 0.000 0.203 404 L C 0.590 177.431 176.870 -0.048 0.000 1.078 404 L CA 1.344 56.161 54.840 -0.038 0.000 0.780 404 L CB -0.028 42.008 42.059 -0.038 0.000 0.939 404 L HN 0.872 nan 8.230 nan 0.000 0.451 405 S N -1.514 114.145 115.700 -0.067 0.000 2.587 405 S HA 0.506 4.975 4.470 -0.000 0.000 0.269 405 S C -1.010 173.516 174.600 -0.124 0.000 1.154 405 S CA -0.683 57.469 58.200 -0.080 0.000 0.824 405 S CB 1.182 64.332 63.200 -0.082 0.000 1.118 405 S HN 0.195 nan 8.310 nan 0.000 0.462 406 I N 0.492 120.978 120.570 -0.140 0.000 2.533 406 I HA 0.577 4.747 4.170 -0.000 0.000 0.290 406 I C -0.994 175.020 176.117 -0.171 0.000 1.056 406 I CA -0.443 60.720 61.300 -0.229 0.000 1.057 406 I CB 1.874 39.625 38.000 -0.415 0.000 1.240 406 I HN 0.955 nan 8.210 nan 0.000 0.423 407 E N 8.074 128.160 120.200 -0.191 0.000 2.081 407 E HA 0.406 4.755 4.350 -0.000 0.000 0.276 407 E C -1.150 175.367 176.600 -0.137 0.000 0.950 407 E CA -0.661 55.645 56.400 -0.156 0.000 0.776 407 E CB 1.021 30.633 29.700 -0.147 0.000 1.094 407 E HN 0.574 nan 8.360 nan 0.000 0.402 408 I N 7.544 128.077 120.570 -0.062 0.000 2.352 408 I HA 0.243 4.413 4.170 -0.000 0.000 0.290 408 I C -1.953 174.198 176.117 0.056 0.000 1.036 408 I CA -2.055 59.262 61.300 0.030 0.000 1.336 408 I CB 0.878 38.967 38.000 0.148 0.000 1.407 408 I HN 0.369 nan 8.210 nan 0.000 0.497 409 P HA 0.167 nan 4.420 nan 0.000 0.281 409 P C -1.066 176.059 177.300 -0.292 0.000 1.249 409 P CA -0.316 62.699 63.100 -0.141 0.000 0.810 409 P CB 0.541 32.180 31.700 -0.101 0.000 1.008 410 Y N 0.067 120.245 120.300 -0.203 0.000 2.457 410 Y HA 0.080 4.630 4.550 -0.000 0.000 0.341 410 Y C 1.703 177.417 175.900 -0.309 0.000 1.240 410 Y CA -0.001 57.852 58.100 -0.411 0.000 1.437 410 Y CB 0.319 38.646 38.460 -0.222 0.000 1.328 410 Y HN 0.337 nan 8.280 nan 0.000 0.588 411 S N 2.011 117.615 115.700 -0.160 0.000 2.610 411 S HA 0.448 4.918 4.470 -0.000 0.000 0.273 411 S C -0.622 173.919 174.600 -0.098 0.000 1.274 411 S CA -1.238 56.887 58.200 -0.126 0.000 1.023 411 S CB 1.349 64.470 63.200 -0.130 0.000 0.962 411 S HN 0.510 nan 8.310 nan 0.000 0.523 412 K N 0.440 120.776 120.400 -0.106 0.000 2.090 412 K HA 0.292 4.612 4.320 -0.000 0.000 0.249 412 K C -0.089 176.424 176.600 -0.145 0.000 0.995 412 K CA -0.730 55.495 56.287 -0.104 0.000 0.914 412 K CB 0.606 33.055 32.500 -0.086 0.000 1.057 412 K HN 0.717 nan 8.250 nan 0.000 0.462 413 E N 0.182 120.312 120.200 -0.117 0.000 2.529 413 E HA -0.045 4.305 4.350 -0.000 0.000 0.259 413 E C 0.596 177.090 176.600 -0.177 0.000 0.966 413 E CA 1.688 58.014 56.400 -0.124 0.000 0.937 413 E CB -0.086 29.572 29.700 -0.071 0.000 0.923 413 E HN 0.700 nan 8.360 nan 0.000 0.468 414 G N 3.522 112.149 108.800 -0.287 0.000 2.143 414 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.249 414 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.249 414 G C 0.060 174.597 174.900 -0.605 0.000 0.981 414 G CA 0.341 45.237 45.100 -0.340 0.000 0.665 414 G HN 0.590 nan 8.290 nan 0.000 0.528 415 E N -0.285 119.449 120.200 -0.775 0.000 2.191 415 E HA 0.680 5.029 4.350 -0.000 0.000 0.263 415 E C -0.789 175.451 176.600 -0.600 0.000 0.881 415 E CA -0.946 55.124 56.400 -0.549 0.000 0.757 415 E CB 0.779 30.335 29.700 -0.239 0.000 1.147 415 E HN 0.050 nan 8.360 nan 0.000 0.414 416 F N 3.263 123.250 119.950 0.062 0.000 2.579 416 F HA 0.610 5.136 4.527 -0.000 0.000 0.324 416 F C -0.642 175.331 175.800 0.287 0.000 1.058 416 F CA -0.914 57.155 58.000 0.114 0.000 0.944 416 F CB 1.423 40.415 39.000 -0.014 0.000 1.245 416 F HN 0.397 nan 8.300 nan 0.000 0.477 417 F N 0.178 120.318 119.950 0.317 0.000 2.601 417 F HA 0.707 5.234 4.527 -0.000 0.000 0.309 417 F C -0.778 175.117 175.800 0.158 0.000 1.089 417 F CA -0.299 57.829 58.000 0.212 0.000 0.940 417 F CB 1.943 40.972 39.000 0.049 0.000 1.273 417 F HN 0.375 nan 8.300 nan 0.000 0.450 418 S N 2.271 117.752 115.700 -0.364 0.000 2.595 418 S HA 0.938 5.408 4.470 -0.000 0.000 0.281 418 S C -1.324 172.791 174.600 -0.810 0.000 1.117 418 S CA -0.627 57.337 58.200 -0.393 0.000 0.873 418 S CB 1.860 64.865 63.200 -0.325 0.000 1.108 418 S HN 0.867 nan 8.310 nan 0.000 0.477 419 A N 1.406 123.777 122.820 -0.748 0.000 2.401 419 A HA 0.943 5.263 4.320 -0.000 0.000 0.310 419 A C -1.574 175.398 177.584 -1.021 0.000 1.075 419 A CA -0.549 51.096 52.037 -0.654 0.000 0.746 419 A CB 0.701 19.593 19.000 -0.181 0.000 1.277 419 A HN 0.613 nan 8.150 nan 0.000 0.425 420 F N 0.198 119.900 119.950 -0.413 0.000 2.599 420 F HA 0.739 5.266 4.527 -0.000 0.000 0.311 420 F C 0.011 175.499 175.800 -0.520 0.000 1.076 420 F CA -0.572 57.017 58.000 -0.685 0.000 0.937 420 F CB 2.652 40.630 39.000 -1.704 0.000 1.282 420 F HN 0.591 nan 8.300 nan 0.000 0.460 421 K N 1.937 122.248 120.400 -0.150 0.000 2.550 421 K HA 0.524 4.844 4.320 -0.000 0.000 0.252 421 K C -2.013 174.666 176.600 0.132 0.000 0.943 421 K CA -0.672 55.635 56.287 0.033 0.000 0.806 421 K CB 2.192 34.720 32.500 0.048 0.000 1.289 421 K HN 0.616 nan 8.250 nan 0.000 0.435 422 Q N 2.683 122.640 119.800 0.262 0.000 2.323 422 Q HA 0.752 5.092 4.340 -0.000 0.000 0.271 422 Q C -1.834 174.215 176.000 0.082 0.000 1.048 422 Q CA -0.352 55.551 55.803 0.167 0.000 0.792 422 Q CB 2.254 31.119 28.738 0.212 0.000 1.280 422 Q HN 0.757 nan 8.270 nan 0.000 0.441 423 A N 1.645 124.495 122.820 0.051 0.000 3.423 423 A HA 0.712 5.032 4.320 -0.000 0.000 0.226 423 A C 0.069 177.706 177.584 0.089 0.000 1.055 423 A CA 0.057 52.123 52.037 0.048 0.000 0.786 423 A CB 0.590 19.583 19.000 -0.012 0.000 1.400 423 A HN 0.653 nan 8.150 nan 0.000 0.673 424 S N -0.968 114.759 115.700 0.045 0.000 2.503 424 S HA 0.231 4.700 4.470 -0.000 0.000 0.215 424 S C 0.733 175.319 174.600 -0.024 0.000 1.003 424 S CA 0.258 58.481 58.200 0.039 0.000 0.910 424 S CB 0.013 63.231 63.200 0.030 0.000 0.790 424 S HN 0.540 nan 8.310 nan 0.000 0.514 425 R N 0.666 121.127 120.500 -0.065 0.000 2.673 425 R HA 0.429 4.768 4.340 -0.000 0.000 0.281 425 R C 0.782 176.971 176.300 -0.185 0.000 0.991 425 R CA -0.727 55.302 56.100 -0.118 0.000 0.896 425 R CB 0.996 31.229 30.300 -0.112 0.000 1.201 425 R HN 0.011 nan 8.270 nan 0.000 0.457 426 R N 1.542 121.858 120.500 -0.307 0.000 2.073 426 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 426 R C -0.443 175.585 176.300 -0.453 0.000 1.134 426 R CA 1.571 57.332 56.100 -0.566 0.000 0.952 426 R CB 0.114 29.902 30.300 -0.853 0.000 0.850 426 R HN 0.557 nan 8.270 nan 0.000 0.433 427 E N -0.385 119.702 120.200 -0.189 0.000 2.249 427 E HA 0.360 4.709 4.350 -0.000 0.000 0.280 427 E C -0.601 176.047 176.600 0.080 0.000 1.016 427 E CA 0.563 57.033 56.400 0.116 0.000 0.830 427 E CB 1.556 31.342 29.700 0.143 0.000 1.081 427 E HN 0.378 nan 8.360 nan 0.000 0.395 428 A N 2.491 125.399 122.820 0.147 0.000 2.466 428 A HA -0.205 4.115 4.320 -0.000 0.000 0.295 428 A C -0.216 177.382 177.584 0.023 0.000 1.465 428 A CA 1.202 53.292 52.037 0.089 0.000 0.744 428 A CB -1.646 17.416 19.000 0.103 0.000 1.098 428 A HN 0.488 nan 8.150 nan 0.000 0.402 429 D N -1.150 119.248 120.400 -0.003 0.000 2.592 429 D HA 0.730 5.369 4.640 -0.000 0.000 0.263 429 D C -0.173 176.092 176.300 -0.059 0.000 1.132 429 D CA -0.519 53.461 54.000 -0.034 0.000 0.996 429 D CB 1.069 41.844 40.800 -0.041 0.000 1.442 429 D HN 0.312 nan 8.370 nan 0.000 0.486 430 I N 1.355 121.893 120.570 -0.052 0.000 2.365 430 I HA 0.433 4.603 4.170 -0.000 0.000 0.291 430 I C 0.563 176.658 176.117 -0.038 0.000 1.004 430 I CA -0.784 60.477 61.300 -0.066 0.000 1.311 430 I CB 1.452 39.426 38.000 -0.044 0.000 1.401 430 I HN 0.422 nan 8.210 nan 0.000 0.491 431 A N 7.059 129.854 122.820 -0.042 0.000 2.540 431 A HA 0.099 4.419 4.320 -0.000 0.000 0.239 431 A C 1.147 178.734 177.584 0.005 0.000 1.061 431 A CA 0.088 52.122 52.037 -0.004 0.000 0.758 431 A CB 0.321 19.324 19.000 0.006 0.000 0.991 431 A HN 0.773 nan 8.150 nan 0.000 0.502 432 K N 0.804 121.212 120.400 0.014 0.000 2.098 432 K HA 0.147 4.466 4.320 -0.000 0.000 0.203 432 K C -0.012 176.564 176.600 -0.040 0.000 1.051 432 K CA 1.088 57.365 56.287 -0.016 0.000 0.957 432 K CB 0.086 32.578 32.500 -0.013 0.000 0.738 432 K HN 0.535 nan 8.250 nan 0.000 0.447 433 V N 0.439 120.349 119.914 -0.007 0.000 2.841 433 V HA 0.295 4.415 4.120 -0.000 0.000 0.310 433 V C -0.515 175.752 176.094 0.287 0.000 1.090 433 V CA -0.800 61.557 62.300 0.095 0.000 0.930 433 V CB 2.107 33.913 31.823 -0.028 0.000 1.014 433 V HN 0.144 nan 8.190 nan 0.000 0.425 434 T N 2.064 116.782 114.554 0.273 0.000 2.916 434 T HA 0.754 5.104 4.350 -0.000 0.000 0.305 434 T C -1.273 173.516 174.700 0.149 0.000 1.119 434 T CA -0.231 61.978 62.100 0.183 0.000 1.008 434 T CB 1.840 70.749 68.868 0.067 0.000 1.129 434 T HN 0.947 nan 8.240 nan 0.000 0.480 435 S N 1.371 117.072 115.700 0.003 0.000 2.537 435 S HA 0.778 5.248 4.470 -0.000 0.000 0.271 435 S C -0.645 173.815 174.600 -0.233 0.000 1.148 435 S CA -0.194 57.913 58.200 -0.155 0.000 0.868 435 S CB 1.415 64.559 63.200 -0.093 0.000 1.115 435 S HN 1.214 nan 8.310 nan 0.000 0.461 436 G N 2.366 110.970 108.800 -0.327 0.000 2.495 436 G HA2 0.712 4.672 3.960 -0.000 0.000 0.318 436 G HA3 0.712 4.672 3.960 -0.000 0.000 0.318 436 G C -1.262 173.236 174.900 -0.671 0.000 1.257 436 G CA -0.592 44.257 45.100 -0.419 0.000 0.962 436 G HN 0.642 nan 8.290 nan 0.000 0.483 437 M N 1.340 120.256 119.600 -1.140 0.000 2.386 437 M HA 0.530 5.010 4.480 -0.000 0.000 0.293 437 M C -0.488 175.057 176.300 -1.258 0.000 1.120 437 M CA -0.727 53.888 55.300 -1.141 0.000 0.909 437 M CB 3.438 35.077 32.600 -1.602 0.000 1.661 437 M HN 0.551 nan 8.290 nan 0.000 0.452 438 R N 1.801 121.986 120.500 -0.524 0.000 2.651 438 R HA 0.832 5.171 4.340 -0.000 0.000 0.278 438 R C -2.319 174.097 176.300 0.193 0.000 1.010 438 R CA -0.631 55.456 56.100 -0.020 0.000 0.896 438 R CB 2.623 33.033 30.300 0.184 0.000 1.211 438 R HN 0.621 nan 8.270 nan 0.000 0.456 439 V N 5.310 125.362 119.914 0.231 0.000 2.789 439 V HA 0.644 4.764 4.120 -0.000 0.000 0.311 439 V C -1.746 174.186 176.094 -0.270 0.000 1.073 439 V CA -0.863 61.400 62.300 -0.062 0.000 0.921 439 V CB 1.956 33.572 31.823 -0.345 0.000 1.009 439 V HN 0.707 nan 8.190 nan 0.000 0.426 440 L N 6.458 127.475 121.223 -0.342 0.000 2.376 440 L HA 0.682 5.021 4.340 -0.000 0.000 0.275 440 L C -1.214 175.416 176.870 -0.400 0.000 0.987 440 L CA -0.004 54.648 54.840 -0.315 0.000 0.828 440 L CB 1.529 43.506 42.059 -0.137 0.000 1.249 440 L HN 0.581 nan 8.230 nan 0.000 0.409 441 F N 3.300 123.192 119.950 -0.095 0.000 2.379 441 F HA 0.452 4.979 4.527 -0.000 0.000 0.332 441 F C 0.820 176.606 175.800 -0.022 0.000 1.096 441 F CA -0.549 57.430 58.000 -0.034 0.000 1.105 441 F CB 1.024 39.996 39.000 -0.048 0.000 1.189 441 F HN 0.340 nan 8.300 nan 0.000 0.515 442 K N 3.230 123.756 120.400 0.210 0.000 2.489 442 K HA 0.069 4.389 4.320 -0.000 0.000 0.278 442 K C -2.424 174.243 176.600 0.111 0.000 1.000 442 K CA -1.284 55.077 56.287 0.124 0.000 1.012 442 K CB -0.153 32.417 32.500 0.118 0.000 0.903 442 K HN 0.190 nan 8.250 nan 0.000 0.485 443 P HA -0.062 nan 4.420 nan 0.000 0.265 443 P C 0.490 177.810 177.300 0.033 0.000 1.193 443 P CA 0.631 63.755 63.100 0.039 0.000 0.765 443 P CB 0.585 32.297 31.700 0.019 0.000 0.823 444 G N 1.583 110.394 108.800 0.018 0.000 2.200 444 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.267 444 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.267 444 G C 0.386 175.283 174.900 -0.005 0.000 0.993 444 G CA 0.871 45.972 45.100 0.002 0.000 0.701 444 G HN 0.834 nan 8.290 nan 0.000 0.524 445 T N -2.643 111.916 114.554 0.009 0.000 2.883 445 T HA 0.697 5.046 4.350 -0.000 0.000 0.284 445 T C 1.179 175.819 174.700 -0.099 0.000 1.041 445 T CA -0.413 61.689 62.100 0.004 0.000 1.007 445 T CB 1.760 70.672 68.868 0.074 0.000 1.220 445 T HN 1.042 nan 8.240 nan 0.000 0.552 446 I N -1.946 118.569 120.570 -0.092 0.000 3.874 446 I HA 0.493 4.663 4.170 -0.000 0.000 0.331 446 I C -0.242 176.023 176.117 0.246 0.000 1.489 446 I CA -0.773 60.381 61.300 -0.243 0.000 1.187 446 I CB -0.331 37.561 38.000 -0.181 0.000 1.150 446 I HN 0.467 nan 8.210 nan 0.000 0.412 447 E N 1.229 121.649 120.200 0.367 0.000 2.216 447 E HA 0.434 4.783 4.350 -0.000 0.000 0.279 447 E C -0.557 176.328 176.600 0.475 0.000 0.997 447 E CA -0.885 55.752 56.400 0.395 0.000 0.817 447 E CB 2.712 32.547 29.700 0.225 0.000 1.096 447 E HN 0.108 nan 8.360 nan 0.000 0.393 448 V N 3.406 123.543 119.914 0.372 0.000 2.521 448 V HA -0.064 4.055 4.120 -0.000 0.000 0.286 448 V C 1.077 177.235 176.094 0.107 0.000 1.034 448 V CA 0.514 62.922 62.300 0.179 0.000 1.045 448 V CB 1.114 33.079 31.823 0.237 0.000 0.974 448 V HN 0.828 nan 8.190 nan 0.000 0.480 449 Q N 3.459 123.272 119.800 0.022 0.000 2.387 449 Q HA 0.196 4.536 4.340 -0.000 0.000 0.212 449 Q C 0.186 176.196 176.000 0.015 0.000 0.925 449 Q CA 0.623 56.443 55.803 0.027 0.000 0.901 449 Q CB 0.651 29.400 28.738 0.018 0.000 1.020 449 Q HN 0.859 nan 8.270 nan 0.000 0.545 450 E N 0.188 120.375 120.200 -0.022 0.000 2.314 450 E HA 0.480 4.829 4.350 -0.000 0.000 0.272 450 E C -1.945 174.668 176.600 0.023 0.000 0.884 450 E CA -0.667 55.738 56.400 0.009 0.000 0.753 450 E CB 2.542 32.244 29.700 0.003 0.000 1.213 450 E HN 0.051 nan 8.360 nan 0.000 0.432 451 L N 1.282 122.554 121.223 0.081 0.000 2.464 451 L HA 0.568 4.907 4.340 -0.000 0.000 0.266 451 L C -1.607 175.336 176.870 0.122 0.000 0.965 451 L CA -0.167 54.764 54.840 0.152 0.000 0.833 451 L CB 2.249 44.455 42.059 0.246 0.000 1.296 451 L HN 0.448 nan 8.230 nan 0.000 0.405 452 S N 5.577 121.337 115.700 0.100 0.000 2.733 452 S HA 0.768 5.238 4.470 -0.000 0.000 0.294 452 S C -1.474 173.105 174.600 -0.035 0.000 1.149 452 S CA -0.504 57.724 58.200 0.047 0.000 1.034 452 S CB 0.567 63.797 63.200 0.050 0.000 1.015 452 S HN 0.605 nan 8.310 nan 0.000 0.486 453 L N 4.695 125.904 121.223 -0.024 0.000 2.342 453 L HA 0.611 4.951 4.340 -0.000 0.000 0.276 453 L C -0.893 175.823 176.870 -0.256 0.000 0.997 453 L CA -0.657 54.085 54.840 -0.164 0.000 0.838 453 L CB 1.469 43.570 42.059 0.070 0.000 1.224 453 L HN 0.580 nan 8.230 nan 0.000 0.416 454 C N 2.745 121.736 119.300 -0.515 0.000 2.561 454 C HA 0.759 5.218 4.460 -0.000 0.000 0.319 454 C C -0.453 174.174 174.990 -0.605 0.000 1.198 454 C CA -0.766 58.060 59.018 -0.320 0.000 1.665 454 C CB 1.395 29.079 27.740 -0.094 0.000 2.258 454 C HN 0.539 nan 8.230 nan 0.000 0.493 455 F N 0.727 120.705 119.950 0.046 0.000 2.569 455 F HA 0.627 5.154 4.527 -0.000 0.000 0.312 455 F C 0.602 176.413 175.800 0.020 0.000 1.109 455 F CA -0.281 57.745 58.000 0.044 0.000 0.919 455 F CB 1.685 40.708 39.000 0.038 0.000 1.211 455 F HN 0.752 nan 8.300 nan 0.000 0.446 456 G N -0.114 108.796 108.800 0.183 0.000 2.410 456 G HA2 0.488 4.448 3.960 -0.000 0.000 0.330 456 G HA3 0.488 4.448 3.960 -0.000 0.000 0.330 456 G C 0.559 175.520 174.900 0.102 0.000 1.142 456 G CA -0.331 44.825 45.100 0.095 0.000 0.902 456 G HN 1.371 nan 8.290 nan 0.000 0.491 457 G N 0.327 109.156 108.800 0.048 0.000 2.157 457 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.248 457 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.248 457 G C 0.849 175.745 174.900 -0.006 0.000 0.979 457 G CA 0.665 45.775 45.100 0.017 0.000 0.650 457 G HN 0.538 nan 8.290 nan 0.000 0.529 458 M N -0.201 119.404 119.600 0.008 0.000 2.347 458 M HA 0.669 5.149 4.480 -0.000 0.000 0.302 458 M C 0.702 176.989 176.300 -0.021 0.000 1.051 458 M CA 0.662 55.938 55.300 -0.039 0.000 0.988 458 M CB 0.121 32.670 32.600 -0.084 0.000 1.475 458 M HN 1.263 nan 8.290 nan 0.000 0.530 459 A N 0.586 123.410 122.820 0.006 0.000 2.483 459 A HA 0.455 4.775 4.320 -0.000 0.000 0.294 459 A C -0.784 176.824 177.584 0.040 0.000 1.077 459 A CA -0.395 51.652 52.037 0.018 0.000 0.633 459 A CB 0.100 19.123 19.000 0.038 0.000 1.318 459 A HN 0.254 nan 8.150 nan 0.000 0.455 460 D N -0.005 120.431 120.400 0.060 0.000 2.323 460 D HA 0.188 4.827 4.640 -0.000 0.000 0.239 460 D C 0.468 176.888 176.300 0.201 0.000 1.129 460 D CA 0.441 54.521 54.000 0.133 0.000 0.865 460 D CB -0.330 40.533 40.800 0.105 0.000 0.913 460 D HN 0.760 nan 8.370 nan 0.000 0.517 461 R N -3.005 117.553 120.500 0.096 0.000 2.741 461 R HA 0.421 4.761 4.340 -0.000 0.000 0.274 461 R C -1.228 175.058 176.300 -0.024 0.000 1.029 461 R CA -0.887 55.221 56.100 0.013 0.000 0.880 461 R CB -0.189 30.158 30.300 0.078 0.000 1.264 461 R HN -0.207 nan 8.270 nan 0.000 0.465 462 T N 2.349 116.801 114.554 -0.169 0.000 2.888 462 T HA 0.367 4.717 4.350 -0.000 0.000 0.301 462 T C 0.465 175.229 174.700 0.107 0.000 1.001 462 T CA -0.102 61.958 62.100 -0.068 0.000 1.147 462 T CB -0.066 68.675 68.868 -0.211 0.000 0.931 462 T HN 0.425 nan 8.240 nan 0.000 0.541 463 I N -0.757 119.908 120.570 0.159 0.000 2.892 463 I HA 0.834 5.004 4.170 -0.000 0.000 0.306 463 I C -0.252 175.999 176.117 0.224 0.000 1.078 463 I CA -1.031 60.391 61.300 0.203 0.000 1.032 463 I CB 2.386 40.485 38.000 0.165 0.000 1.229 463 I HN 0.468 nan 8.210 nan 0.000 0.435 464 S N 2.153 117.973 115.700 0.201 0.000 2.537 464 S HA 0.740 5.210 4.470 -0.000 0.000 0.301 464 S C 0.081 174.771 174.600 0.151 0.000 1.092 464 S CA -0.463 57.837 58.200 0.167 0.000 1.048 464 S CB 1.607 64.888 63.200 0.136 0.000 1.053 464 S HN 0.923 nan 8.310 nan 0.000 0.501 465 A N 5.046 127.976 122.820 0.183 0.000 3.077 465 A HA 0.354 4.674 4.320 -0.000 0.000 0.255 465 A C 0.864 178.480 177.584 0.053 0.000 1.728 465 A CA -0.242 51.875 52.037 0.134 0.000 1.383 465 A CB -1.001 18.126 19.000 0.212 0.000 1.097 465 A HN 0.885 nan 8.150 nan 0.000 0.634 466 L N -0.549 120.679 121.223 0.009 0.000 2.478 466 L HA -0.052 4.288 4.340 -0.000 0.000 0.223 466 L C 2.286 179.140 176.870 -0.026 0.000 1.140 466 L CA 0.771 55.595 54.840 -0.026 0.000 0.842 466 L CB -0.105 41.883 42.059 -0.118 0.000 0.953 466 L HN 0.516 nan 8.230 nan 0.000 0.452 467 K N -0.720 119.666 120.400 -0.023 0.000 2.116 467 K HA -0.025 4.295 4.320 -0.000 0.000 0.203 467 K C 1.975 178.565 176.600 -0.017 0.000 1.052 467 K CA 1.367 57.641 56.287 -0.022 0.000 0.952 467 K CB -0.030 32.454 32.500 -0.027 0.000 0.729 467 K HN 0.211 nan 8.250 nan 0.000 0.446 468 T N 0.681 115.224 114.554 -0.018 0.000 2.894 468 T HA -0.097 4.253 4.350 -0.000 0.000 0.258 468 T C 2.134 176.826 174.700 -0.013 0.000 1.043 468 T CA 1.759 63.841 62.100 -0.030 0.000 1.141 468 T CB -0.242 68.593 68.868 -0.055 0.000 0.873 468 T HN 0.435 nan 8.240 nan 0.000 0.449 469 T N 0.806 115.368 114.554 0.013 0.000 2.777 469 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 469 T C -0.753 173.977 174.700 0.051 0.000 1.040 469 T CA 0.733 62.860 62.100 0.044 0.000 1.141 469 T CB -1.639 67.273 68.868 0.074 0.000 0.868 469 T HN 0.266 nan 8.240 nan 0.000 0.444 470 P HA 0.025 nan 4.420 nan 0.000 0.220 470 P C 1.283 178.607 177.300 0.039 0.000 1.148 470 P CA 1.007 64.131 63.100 0.039 0.000 0.803 470 P CB -0.126 31.590 31.700 0.027 0.000 0.782 471 K N -0.527 119.890 120.400 0.028 0.000 2.280 471 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 471 K C 1.585 178.209 176.600 0.041 0.000 1.047 471 K CA 0.871 57.172 56.287 0.024 0.000 0.942 471 K CB -0.167 32.335 32.500 0.004 0.000 0.739 471 K HN 0.224 nan 8.250 nan 0.000 0.457 472 Q N 0.375 120.212 119.800 0.060 0.000 2.360 472 Q HA 0.137 4.477 4.340 -0.000 0.000 0.202 472 Q C 0.517 176.590 176.000 0.122 0.000 0.915 472 Q CA 0.225 56.085 55.803 0.094 0.000 0.943 472 Q CB 0.184 28.998 28.738 0.126 0.000 1.064 472 Q HN 0.317 nan 8.270 nan 0.000 0.511 473 L N 1.074 122.355 121.223 0.097 0.000 2.453 473 L HA 0.008 4.347 4.340 -0.000 0.000 0.272 473 L C 0.823 177.755 176.870 0.104 0.000 1.182 473 L CA 0.165 55.065 54.840 0.100 0.000 0.858 473 L CB 0.314 42.417 42.059 0.075 0.000 1.120 473 L HN 0.184 nan 8.230 nan 0.000 0.474 474 S N -0.245 115.528 115.700 0.122 0.000 2.769 474 S HA -0.184 4.286 4.470 -0.000 0.000 0.264 474 S C 0.415 175.104 174.600 0.149 0.000 1.288 474 S CA 1.048 59.323 58.200 0.126 0.000 1.378 474 S CB -1.059 62.196 63.200 0.092 0.000 1.702 474 S HN 0.698 nan 8.310 nan 0.000 0.656 475 K N 1.755 122.254 120.400 0.166 0.000 2.319 475 K HA 0.418 4.738 4.320 -0.000 0.000 0.265 475 K C 0.435 177.195 176.600 0.267 0.000 1.000 475 K CA 0.045 56.441 56.287 0.183 0.000 0.943 475 K CB 0.394 32.989 32.500 0.159 0.000 0.950 475 K HN 0.164 nan 8.250 nan 0.000 0.485 476 S N 0.774 116.617 115.700 0.238 0.000 2.632 476 S HA 0.128 4.598 4.470 -0.000 0.000 0.271 476 S C -0.642 174.198 174.600 0.400 0.000 1.260 476 S CA -0.761 57.621 58.200 0.303 0.000 1.010 476 S CB 0.543 63.867 63.200 0.206 0.000 0.965 476 S HN 0.532 nan 8.310 nan 0.000 0.534 477 W N 5.072 126.531 121.300 0.265 0.000 2.365 477 W HA 0.216 4.876 4.660 -0.000 0.000 0.371 477 W C -0.448 176.249 176.519 0.296 0.000 1.006 477 W CA -0.333 57.210 57.345 0.330 0.000 1.528 477 W CB -0.513 29.129 29.460 0.303 0.000 1.497 477 W HN 0.847 nan 8.180 nan 0.000 0.367 478 N N 0.772 119.622 118.700 0.250 0.000 3.243 478 N HA 0.082 4.822 4.740 -0.000 0.000 0.280 478 N C 0.380 175.973 175.510 0.138 0.000 1.545 478 N CA -0.529 52.673 53.050 0.253 0.000 0.854 478 N CB 0.428 39.016 38.487 0.169 0.000 1.612 478 N HN 0.039 nan 8.380 nan 0.000 0.577 479 E N -0.284 119.982 120.200 0.110 0.000 2.153 479 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 479 E C 0.738 177.295 176.600 -0.071 0.000 0.988 479 E CA 1.607 58.000 56.400 -0.013 0.000 0.811 479 E CB -0.059 29.672 29.700 0.051 0.000 0.746 479 E HN 0.584 nan 8.360 nan 0.000 0.466 480 E N 0.217 120.404 120.200 -0.021 0.000 2.077 480 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 480 E C 2.031 178.596 176.600 -0.059 0.000 0.989 480 E CA 1.099 57.483 56.400 -0.027 0.000 0.800 480 E CB -0.394 29.310 29.700 0.008 0.000 0.746 480 E HN 0.388 nan 8.360 nan 0.000 0.452 481 L N -0.028 121.153 121.223 -0.070 0.000 2.027 481 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 481 L C 2.145 178.904 176.870 -0.185 0.000 1.074 481 L CA 0.960 55.737 54.840 -0.105 0.000 0.745 481 L CB -0.198 41.795 42.059 -0.110 0.000 0.898 481 L HN 0.208 nan 8.230 nan 0.000 0.433 482 L N -0.214 120.810 121.223 -0.331 0.000 2.012 482 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 482 L C 2.559 179.351 176.870 -0.131 0.000 1.073 482 L CA 1.812 56.460 54.840 -0.320 0.000 0.748 482 L CB -0.776 40.824 42.059 -0.766 0.000 0.891 482 L HN 0.361 nan 8.230 nan 0.000 0.431 483 Q N -0.814 118.907 119.800 -0.131 0.000 2.124 483 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 483 Q C 2.501 178.448 176.000 -0.089 0.000 0.977 483 Q CA 1.683 57.432 55.803 -0.089 0.000 0.850 483 Q CB -0.704 27.988 28.738 -0.076 0.000 0.901 483 Q HN 0.663 nan 8.270 nan 0.000 0.429 484 S N 0.039 115.682 115.700 -0.095 0.000 2.356 484 S HA -0.100 4.370 4.470 -0.000 0.000 0.223 484 S C 2.082 176.602 174.600 -0.133 0.000 1.032 484 S CA 1.142 59.287 58.200 -0.091 0.000 1.005 484 S CB -0.069 63.091 63.200 -0.068 0.000 0.867 484 S HN 0.171 nan 8.310 nan 0.000 0.449 485 V N 1.096 120.885 119.914 -0.209 0.000 2.307 485 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 485 V C 2.701 178.614 176.094 -0.301 0.000 1.045 485 V CA 1.872 63.952 62.300 -0.366 0.000 1.024 485 V CB -1.008 30.327 31.823 -0.813 0.000 0.651 485 V HN 0.669 nan 8.190 nan 0.000 0.449 486 C N 0.251 119.436 119.300 -0.192 0.000 2.413 486 C HA -0.161 4.298 4.460 -0.000 0.000 0.276 486 C C 3.102 178.043 174.990 -0.081 0.000 1.236 486 C CA 0.955 59.929 59.018 -0.074 0.000 1.735 486 C CB -1.392 26.383 27.740 0.059 0.000 2.031 486 C HN 0.644 nan 8.230 nan 0.000 0.474 487 A N 0.671 123.440 122.820 -0.084 0.000 1.902 487 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 487 A C 2.406 179.940 177.584 -0.083 0.000 1.181 487 A CA 2.133 54.125 52.037 -0.075 0.000 0.623 487 A CB -1.279 17.681 19.000 -0.067 0.000 0.818 487 A HN 0.562 nan 8.150 nan 0.000 0.443 488 G N -0.002 108.739 108.800 -0.098 0.000 2.446 488 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 488 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 488 G C 1.553 176.390 174.900 -0.104 0.000 1.168 488 G CA 1.140 46.184 45.100 -0.094 0.000 0.771 488 G HN 0.442 nan 8.290 nan 0.000 0.551 489 L N 0.612 121.756 121.223 -0.133 0.000 2.083 489 L HA -0.032 4.308 4.340 -0.000 0.000 0.209 489 L C 3.390 180.172 176.870 -0.147 0.000 1.083 489 L CA 0.958 55.706 54.840 -0.153 0.000 0.752 489 L CB -0.428 41.523 42.059 -0.179 0.000 0.899 489 L HN 0.317 nan 8.230 nan 0.000 0.433 490 A N -0.690 122.061 122.820 -0.116 0.000 1.969 490 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 490 A C 2.344 179.874 177.584 -0.090 0.000 1.169 490 A CA 1.505 53.482 52.037 -0.101 0.000 0.635 490 A CB -0.320 18.635 19.000 -0.074 0.000 0.810 490 A HN 0.385 nan 8.150 nan 0.000 0.445 491 E N -0.082 120.069 120.200 -0.082 0.000 2.086 491 E HA -0.146 4.203 4.350 -0.000 0.000 0.190 491 E C 1.943 178.501 176.600 -0.070 0.000 0.975 491 E CA 1.225 57.585 56.400 -0.068 0.000 0.813 491 E CB -0.159 29.506 29.700 -0.057 0.000 0.768 491 E HN 0.769 nan 8.360 nan 0.000 0.457 492 E N 0.201 120.353 120.200 -0.080 0.000 2.072 492 E HA -0.066 4.283 4.350 -0.000 0.000 0.190 492 E C 0.896 177.443 176.600 -0.089 0.000 0.982 492 E CA 0.415 56.771 56.400 -0.073 0.000 0.803 492 E CB 0.110 29.769 29.700 -0.068 0.000 0.755 492 E HN 0.169 nan 8.360 nan 0.000 0.453 493 L N 3.617 124.761 121.223 -0.132 0.000 2.796 493 L HA 0.154 4.493 4.340 -0.000 0.000 0.235 493 L C 0.335 177.124 176.870 -0.135 0.000 1.344 493 L CA -0.645 54.097 54.840 -0.164 0.000 1.245 493 L CB -0.084 41.800 42.059 -0.292 0.000 1.556 493 L HN 0.199 nan 8.230 nan 0.000 0.423 494 Q N 1.914 121.658 119.800 -0.094 0.000 2.392 494 Q HA 0.387 4.727 4.340 -0.000 0.000 0.262 494 Q C -1.211 174.747 176.000 -0.070 0.000 1.003 494 Q CA 0.163 55.920 55.803 -0.075 0.000 0.888 494 Q CB 1.866 30.570 28.738 -0.056 0.000 1.260 494 Q HN 0.443 nan 8.270 nan 0.000 0.435 495 L N 1.676 122.861 121.223 -0.064 0.000 2.408 495 L HA 0.621 4.961 4.340 -0.000 0.000 0.268 495 L C -0.276 176.569 176.870 -0.043 0.000 0.986 495 L CA -1.108 53.699 54.840 -0.055 0.000 0.820 495 L CB 2.099 44.121 42.059 -0.062 0.000 1.303 495 L HN 0.894 nan 8.230 nan 0.000 0.411 496 A N 3.931 126.729 122.820 -0.037 0.000 2.425 496 A HA 0.365 4.684 4.320 -0.000 0.000 0.242 496 A C -1.530 176.038 177.584 -0.028 0.000 1.077 496 A CA -0.832 51.187 52.037 -0.030 0.000 0.781 496 A CB -0.215 18.768 19.000 -0.028 0.000 1.020 496 A HN 0.644 nan 8.150 nan 0.000 0.494 497 P HA -0.113 nan 4.420 nan 0.000 0.222 497 P C 0.129 177.419 177.300 -0.016 0.000 1.147 497 P CA 1.455 64.544 63.100 -0.018 0.000 0.790 497 P CB -0.046 31.646 31.700 -0.014 0.000 0.780 498 D N -1.043 119.346 120.400 -0.018 0.000 2.427 498 D HA 0.228 4.868 4.640 -0.000 0.000 0.224 498 D C 0.434 176.718 176.300 -0.028 0.000 1.157 498 D CA -0.786 53.203 54.000 -0.017 0.000 0.828 498 D CB -0.718 40.075 40.800 -0.013 0.000 0.974 498 D HN -0.003 nan 8.370 nan 0.000 0.498 499 A N 1.296 124.095 122.820 -0.034 0.000 2.561 499 A HA 0.302 4.622 4.320 -0.000 0.000 0.234 499 A C -2.068 175.483 177.584 -0.054 0.000 1.055 499 A CA -0.677 51.333 52.037 -0.044 0.000 0.756 499 A CB -0.375 18.598 19.000 -0.046 0.000 0.986 499 A HN 0.111 nan 8.150 nan 0.000 0.505 500 P HA 0.308 nan 4.420 nan 0.000 0.264 500 P C 1.008 178.255 177.300 -0.088 0.000 1.193 500 P CA 1.701 64.749 63.100 -0.087 0.000 0.763 500 P CB 0.681 32.321 31.700 -0.101 0.000 0.810 501 G N 2.004 110.736 108.800 -0.113 0.000 2.194 501 G HA2 0.009 3.969 3.960 -0.000 0.000 0.236 501 G HA3 0.009 3.969 3.960 -0.000 0.000 0.236 501 G C 0.660 175.495 174.900 -0.109 0.000 0.987 501 G CA 0.150 45.174 45.100 -0.126 0.000 0.635 501 G HN 0.983 nan 8.290 nan 0.000 0.520 502 G N 0.107 108.862 108.800 -0.075 0.000 2.575 502 G HA2 -0.017 3.942 3.960 -0.000 0.000 0.267 502 G HA3 -0.017 3.942 3.960 -0.000 0.000 0.267 502 G C 0.780 175.671 174.900 -0.014 0.000 1.264 502 G CA 0.801 45.873 45.100 -0.046 0.000 0.935 502 G HN 1.783 nan 8.290 nan 0.000 0.568 503 M N -1.445 118.167 119.600 0.019 0.000 2.169 503 M HA -0.220 4.260 4.480 -0.000 0.000 0.196 503 M C 1.432 177.780 176.300 0.079 0.000 0.355 503 M CA 0.631 55.986 55.300 0.093 0.000 0.396 503 M CB -1.858 30.855 32.600 0.187 0.000 1.125 503 M HN 0.616 nan 8.290 nan 0.000 0.939 504 V N -0.277 119.656 119.914 0.030 0.000 2.453 504 V HA -0.218 3.901 4.120 -0.000 0.000 0.247 504 V C 2.101 178.197 176.094 0.003 0.000 1.048 504 V CA 2.484 64.783 62.300 -0.002 0.000 1.049 504 V CB -0.235 31.578 31.823 -0.017 0.000 0.672 504 V HN 0.598 nan 8.190 nan 0.000 0.457 505 E N -0.518 119.702 120.200 0.035 0.000 2.106 505 E HA -0.199 4.150 4.350 -0.000 0.000 0.192 505 E C 2.028 178.675 176.600 0.078 0.000 0.984 505 E CA 1.334 57.754 56.400 0.033 0.000 0.806 505 E CB -0.212 29.511 29.700 0.039 0.000 0.750 505 E HN 0.586 nan 8.360 nan 0.000 0.458 506 F N 2.033 121.944 119.950 -0.065 0.000 2.102 506 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 506 F C 2.056 177.782 175.800 -0.123 0.000 1.105 506 F CA 1.480 59.432 58.000 -0.081 0.000 1.239 506 F CB -0.080 38.887 39.000 -0.056 0.000 0.991 506 F HN -0.211 nan 8.300 nan 0.000 0.474 507 R N 0.004 120.399 120.500 -0.176 0.000 2.081 507 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 507 R C 2.381 178.488 176.300 -0.323 0.000 1.131 507 R CA 1.687 57.577 56.100 -0.351 0.000 0.960 507 R CB -0.353 29.829 30.300 -0.197 0.000 0.856 507 R HN 0.296 nan 8.270 nan 0.000 0.436 508 R N -0.526 119.849 120.500 -0.208 0.000 2.092 508 R HA -0.035 4.305 4.340 -0.000 0.000 0.231 508 R C 2.245 178.409 176.300 -0.227 0.000 1.119 508 R CA 1.527 57.497 56.100 -0.216 0.000 0.970 508 R CB -0.254 29.962 30.300 -0.142 0.000 0.864 508 R HN 0.157 nan 8.270 nan 0.000 0.440 509 T N 1.577 116.022 114.554 -0.181 0.000 2.746 509 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 509 T C 1.824 176.333 174.700 -0.319 0.000 1.039 509 T CA 0.988 62.996 62.100 -0.154 0.000 1.142 509 T CB -0.129 68.718 68.868 -0.036 0.000 0.866 509 T HN 0.119 nan 8.240 nan 0.000 0.444 510 L N 1.242 122.164 121.223 -0.502 0.000 2.043 510 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 510 L C 3.106 179.450 176.870 -0.877 0.000 1.075 510 L CA 1.841 56.157 54.840 -0.872 0.000 0.752 510 L CB -1.267 40.120 42.059 -1.119 0.000 0.891 510 L HN 0.486 nan 8.230 nan 0.000 0.432 511 T N -2.027 112.200 114.554 -0.546 0.000 2.720 511 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 511 T C 1.763 176.379 174.700 -0.141 0.000 1.037 511 T CA 1.175 63.085 62.100 -0.317 0.000 1.144 511 T CB -0.428 68.083 68.868 -0.594 0.000 0.864 511 T HN 0.075 nan 8.240 nan 0.000 0.444 512 L N 1.344 122.441 121.223 -0.209 0.000 2.109 512 L HA 0.121 4.460 4.340 -0.000 0.000 0.207 512 L C 3.089 179.770 176.870 -0.314 0.000 1.086 512 L CA 1.367 56.131 54.840 -0.128 0.000 0.760 512 L CB -0.869 41.156 42.059 -0.058 0.000 0.910 512 L HN 0.270 nan 8.230 nan 0.000 0.437 513 S N -1.035 114.368 115.700 -0.496 0.000 2.383 513 S HA -0.088 4.382 4.470 -0.000 0.000 0.227 513 S C 1.860 176.262 174.600 -0.331 0.000 1.026 513 S CA 0.792 58.630 58.200 -0.602 0.000 0.981 513 S CB -0.326 62.586 63.200 -0.480 0.000 0.818 513 S HN 0.205 nan 8.310 nan 0.000 0.472 514 F N 1.058 120.745 119.950 -0.437 0.000 2.095 514 F HA -0.022 4.504 4.527 -0.000 0.000 0.298 514 F C 2.012 177.490 175.800 -0.537 0.000 1.104 514 F CA 0.099 57.618 58.000 -0.802 0.000 1.232 514 F CB -1.387 37.206 39.000 -0.679 0.000 0.987 514 F HN 0.210 nan 8.300 nan 0.000 0.475 515 F N -0.249 119.696 119.950 -0.007 0.000 2.171 515 F HA -0.244 4.283 4.527 -0.000 0.000 0.300 515 F C 2.402 178.343 175.800 0.236 0.000 1.090 515 F CA 1.105 59.217 58.000 0.187 0.000 1.293 515 F CB -0.778 38.341 39.000 0.199 0.000 1.013 515 F HN -0.049 nan 8.300 nan 0.000 0.486 516 F N 1.494 121.325 119.950 -0.198 0.000 2.134 516 F HA -0.132 4.394 4.527 -0.000 0.000 0.299 516 F C 2.215 177.897 175.800 -0.197 0.000 1.097 516 F CA 1.791 59.636 58.000 -0.259 0.000 1.264 516 F CB -0.732 37.884 39.000 -0.639 0.000 1.001 516 F HN -0.120 nan 8.300 nan 0.000 0.479 517 K N -0.886 119.327 120.400 -0.311 0.000 2.097 517 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 517 K C 2.121 178.722 176.600 0.000 0.000 1.049 517 K CA 1.690 57.825 56.287 -0.254 0.000 0.933 517 K CB -0.700 31.741 32.500 -0.099 0.000 0.717 517 K HN 0.315 nan 8.250 nan 0.000 0.442 518 F N 0.952 120.858 119.950 -0.074 0.000 2.134 518 F HA -0.246 4.280 4.527 -0.000 0.000 0.299 518 F C 2.210 178.003 175.800 -0.012 0.000 1.097 518 F CA 1.156 59.187 58.000 0.052 0.000 1.264 518 F CB -0.648 38.381 39.000 0.049 0.000 1.001 518 F HN 0.042 nan 8.300 nan 0.000 0.479 519 Y N 0.700 120.770 120.300 -0.382 0.000 2.128 519 Y HA -0.255 4.294 4.550 -0.000 0.000 0.284 519 Y C 2.063 177.955 175.900 -0.013 0.000 1.154 519 Y CA 2.260 60.245 58.100 -0.193 0.000 1.149 519 Y CB -0.633 37.615 38.460 -0.354 0.000 0.976 519 Y HN 0.118 nan 8.280 nan 0.000 0.505 520 L N -1.040 120.020 121.223 -0.271 0.000 2.093 520 L HA -0.202 4.137 4.340 -0.000 0.000 0.208 520 L C 2.330 179.048 176.870 -0.253 0.000 1.085 520 L CA 1.748 56.410 54.840 -0.295 0.000 0.755 520 L CB -0.915 40.960 42.059 -0.307 0.000 0.904 520 L HN 0.200 nan 8.230 nan 0.000 0.435 521 T N -0.589 113.836 114.554 -0.214 0.000 2.821 521 T HA -0.109 4.240 4.350 -0.000 0.000 0.267 521 T C 2.029 176.521 174.700 -0.348 0.000 1.046 521 T CA 0.982 62.966 62.100 -0.194 0.000 1.139 521 T CB -0.055 68.770 68.868 -0.071 0.000 0.871 521 T HN 0.039 nan 8.240 nan 0.000 0.454 522 V N 1.652 121.284 119.914 -0.470 0.000 2.358 522 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 522 V C 2.477 178.222 176.094 -0.582 0.000 1.047 522 V CA 1.371 63.259 62.300 -0.686 0.000 1.035 522 V CB -0.685 30.577 31.823 -0.935 0.000 0.658 522 V HN 0.448 nan 8.190 nan 0.000 0.452 523 L N -0.506 120.486 121.223 -0.384 0.000 2.043 523 L HA -0.304 4.036 4.340 -0.000 0.000 0.212 523 L C 2.708 179.410 176.870 -0.280 0.000 1.075 523 L CA 1.862 56.529 54.840 -0.288 0.000 0.752 523 L CB -0.647 41.265 42.059 -0.245 0.000 0.891 523 L HN 0.406 nan 8.230 nan 0.000 0.432 524 Q N -0.146 119.493 119.800 -0.270 0.000 2.046 524 Q HA -0.212 4.128 4.340 -0.000 0.000 0.200 524 Q C 2.275 178.104 176.000 -0.286 0.000 0.975 524 Q CA 1.415 57.088 55.803 -0.217 0.000 0.836 524 Q CB -0.034 28.604 28.738 -0.166 0.000 0.896 524 Q HN 0.472 nan 8.270 nan 0.000 0.428 525 K N 0.550 120.680 120.400 -0.449 0.000 2.057 525 K HA -0.127 4.192 4.320 -0.000 0.000 0.207 525 K C 2.102 178.388 176.600 -0.524 0.000 1.049 525 K CA 1.005 56.925 56.287 -0.611 0.000 0.931 525 K CB -0.140 31.615 32.500 -1.242 0.000 0.714 525 K HN 0.147 nan 8.250 nan 0.000 0.440 526 L N 0.141 121.041 121.223 -0.537 0.000 2.046 526 L HA -0.140 4.199 4.340 -0.000 0.000 0.208 526 L C 2.507 179.252 176.870 -0.208 0.000 1.077 526 L CA 1.376 56.019 54.840 -0.328 0.000 0.747 526 L CB -0.765 41.067 42.059 -0.379 0.000 0.896 526 L HN 0.371 nan 8.230 nan 0.000 0.432 527 G N -0.586 108.095 108.800 -0.199 0.000 2.498 527 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 527 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 527 G C 1.722 176.562 174.900 -0.101 0.000 1.119 527 G CA 0.277 45.300 45.100 -0.129 0.000 0.766 527 G HN 0.318 nan 8.290 nan 0.000 0.552 528 R N -0.153 120.280 120.500 -0.111 0.000 2.276 528 R HA 0.271 4.610 4.340 -0.000 0.000 0.196 528 R C 2.564 178.836 176.300 -0.045 0.000 0.961 528 R CA 0.555 56.612 56.100 -0.072 0.000 1.024 528 R CB 0.131 30.386 30.300 -0.075 0.000 0.940 528 R HN 0.311 nan 8.270 nan 0.000 0.480 529 A N 0.770 123.562 122.820 -0.047 0.000 2.132 529 A HA -0.002 4.318 4.320 -0.000 0.000 0.213 529 A C -0.146 177.423 177.584 -0.025 0.000 1.154 529 A CA 0.173 52.202 52.037 -0.014 0.000 0.753 529 A CB 0.196 19.203 19.000 0.011 0.000 0.826 529 A HN 0.257 nan 8.150 nan 0.000 0.469 530 D N -0.621 119.756 120.400 -0.038 0.000 2.927 530 D HA -0.115 4.525 4.640 -0.000 0.000 0.236 530 D C -0.448 175.834 176.300 -0.030 0.000 1.163 530 D CA 0.678 54.658 54.000 -0.033 0.000 0.801 530 D CB -1.129 39.657 40.800 -0.024 0.000 0.975 530 D HN 0.453 nan 8.370 nan 0.000 0.413 531 L N 0.445 121.645 121.223 -0.040 0.000 2.387 531 L HA 0.330 4.669 4.340 -0.000 0.000 0.266 531 L C 1.873 178.725 176.870 -0.030 0.000 1.059 531 L CA -0.760 54.056 54.840 -0.039 0.000 0.801 531 L CB 0.862 42.883 42.059 -0.064 0.000 1.223 531 L HN 0.093 nan 8.230 nan 0.000 0.456 532 E N -0.292 119.894 120.200 -0.023 0.000 2.285 532 E HA -0.046 4.304 4.350 -0.000 0.000 0.194 532 E C -0.551 176.042 176.600 -0.013 0.000 0.997 532 E CA 0.496 56.887 56.400 -0.014 0.000 0.845 532 E CB 0.312 30.007 29.700 -0.008 0.000 0.782 532 E HN 0.512 nan 8.360 nan 0.000 0.491 533 D N 0.904 121.294 120.400 -0.017 0.000 2.198 533 D HA 0.131 4.771 4.640 -0.000 0.000 0.245 533 D C -0.341 175.946 176.300 -0.021 0.000 1.079 533 D CA -0.167 53.826 54.000 -0.012 0.000 0.854 533 D CB 1.371 42.168 40.800 -0.005 0.000 1.148 533 D HN 0.013 nan 8.370 nan 0.000 0.456 534 M N 2.852 122.444 119.600 -0.012 0.000 2.188 534 M HA 0.145 4.625 4.480 -0.000 0.000 0.354 534 M C 0.100 176.391 176.300 -0.014 0.000 1.342 534 M CA -0.380 54.909 55.300 -0.017 0.000 1.117 534 M CB 0.197 32.792 32.600 -0.010 0.000 1.670 534 M HN 0.550 nan 8.290 nan 0.000 0.466 535 C N 3.425 122.706 119.300 -0.031 0.000 2.347 535 C HA 0.890 5.350 4.460 -0.000 0.000 0.366 535 C C 1.045 176.030 174.990 -0.008 0.000 1.241 535 C CA -0.803 58.202 59.018 -0.022 0.000 2.360 535 C CB -0.045 27.651 27.740 -0.073 0.000 2.290 535 C HN 0.980 nan 8.230 nan 0.000 0.587 536 G N 1.042 109.853 108.800 0.020 0.000 2.484 536 G HA2 0.412 4.371 3.960 -0.000 0.000 0.235 536 G HA3 0.412 4.371 3.960 -0.000 0.000 0.235 536 G C -0.593 174.296 174.900 -0.019 0.000 1.282 536 G CA -0.362 44.751 45.100 0.021 0.000 0.857 536 G HN 0.895 nan 8.290 nan 0.000 0.571 537 K N 0.674 121.061 120.400 -0.023 0.000 2.259 537 K HA 0.415 4.735 4.320 -0.000 0.000 0.252 537 K C -0.798 175.775 176.600 -0.045 0.000 0.936 537 K CA -0.877 55.386 56.287 -0.040 0.000 0.810 537 K CB 2.151 34.629 32.500 -0.038 0.000 1.143 537 K HN 0.164 nan 8.250 nan 0.000 0.427 538 L N 1.930 123.129 121.223 -0.040 0.000 2.397 538 L HA 0.101 4.440 4.340 -0.000 0.000 0.271 538 L C 0.178 177.008 176.870 -0.066 0.000 1.148 538 L CA 0.180 54.999 54.840 -0.035 0.000 0.825 538 L CB 0.469 42.553 42.059 0.041 0.000 1.117 538 L HN 0.581 nan 8.230 nan 0.000 0.456 539 D N 3.417 123.717 120.400 -0.166 0.000 2.443 539 D HA 0.052 4.692 4.640 -0.000 0.000 0.239 539 D C -1.572 174.737 176.300 0.016 0.000 1.136 539 D CA -0.773 53.156 54.000 -0.118 0.000 0.879 539 D CB 1.078 41.739 40.800 -0.233 0.000 1.195 539 D HN 0.342 nan 8.370 nan 0.000 0.443 540 P HA -0.172 nan 4.420 nan 0.000 0.218 540 P C 0.952 178.306 177.300 0.089 0.000 1.146 540 P CA 1.405 64.529 63.100 0.042 0.000 0.813 540 P CB -0.086 31.619 31.700 0.008 0.000 0.778 541 T N -5.588 109.042 114.554 0.125 0.000 3.113 541 T HA -0.032 4.317 4.350 -0.000 0.000 0.263 541 T C 1.139 176.060 174.700 0.368 0.000 1.143 541 T CA 0.715 62.912 62.100 0.161 0.000 1.090 541 T CB -0.855 68.098 68.868 0.141 0.000 0.922 541 T HN -0.067 nan 8.240 nan 0.000 0.521 542 F N 0.751 120.781 119.950 0.134 0.000 2.720 542 F HA 0.641 5.168 4.527 -0.000 0.000 0.301 542 F C 2.419 178.337 175.800 0.197 0.000 1.103 542 F CA -1.104 57.082 58.000 0.310 0.000 1.291 542 F CB -0.459 38.733 39.000 0.321 0.000 1.086 542 F HN 0.233 nan 8.300 nan 0.000 0.592 543 A N 0.011 122.994 122.820 0.272 0.000 1.933 543 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 543 A C 2.322 179.985 177.584 0.132 0.000 1.175 543 A CA 2.043 54.172 52.037 0.153 0.000 0.628 543 A CB -1.071 17.983 19.000 0.091 0.000 0.814 543 A HN 0.336 nan 8.150 nan 0.000 0.444 544 S N -0.120 115.665 115.700 0.142 0.000 2.507 544 S HA 0.171 4.640 4.470 -0.000 0.000 0.235 544 S C 1.859 176.558 174.600 0.164 0.000 0.988 544 S CA 0.991 59.273 58.200 0.138 0.000 0.944 544 S CB -0.473 62.806 63.200 0.131 0.000 0.762 544 S HN 0.842 nan 8.310 nan 0.000 0.526 545 A N 2.107 125.032 122.820 0.175 0.000 2.019 545 A HA -0.044 4.275 4.320 -0.000 0.000 0.219 545 A C 2.418 180.034 177.584 0.054 0.000 1.164 545 A CA 1.868 53.967 52.037 0.104 0.000 0.644 545 A CB -1.261 17.686 19.000 -0.088 0.000 0.805 545 A HN 0.788 nan 8.150 nan 0.000 0.449 546 T N -2.785 111.801 114.554 0.053 0.000 3.069 546 T HA 0.441 4.791 4.350 -0.000 0.000 0.252 546 T C 0.404 175.155 174.700 0.086 0.000 1.053 546 T CA -0.350 61.782 62.100 0.052 0.000 0.964 546 T CB -0.470 68.401 68.868 0.004 0.000 1.005 546 T HN 0.191 nan 8.240 nan 0.000 0.532 547 L N 2.262 123.546 121.223 0.101 0.000 2.453 547 L HA 0.351 4.690 4.340 -0.000 0.000 0.272 547 L C 0.475 177.427 176.870 0.137 0.000 1.182 547 L CA -0.671 54.230 54.840 0.100 0.000 0.858 547 L CB 0.567 42.684 42.059 0.095 0.000 1.120 547 L HN 0.190 nan 8.230 nan 0.000 0.474 548 L N 2.645 123.945 121.223 0.128 0.000 2.452 548 L HA 0.132 4.472 4.340 -0.000 0.000 0.267 548 L C 0.175 177.189 176.870 0.241 0.000 1.188 548 L CA -0.240 54.712 54.840 0.187 0.000 0.821 548 L CB 0.202 42.350 42.059 0.147 0.000 1.102 548 L HN 0.390 nan 8.230 nan 0.000 0.470 549 F N 2.528 122.600 119.950 0.204 0.000 2.623 549 F HA 0.061 4.587 4.527 -0.000 0.000 0.383 549 F C 0.368 176.289 175.800 0.202 0.000 1.077 549 F CA 0.575 58.707 58.000 0.221 0.000 1.268 549 F CB 0.272 39.459 39.000 0.310 0.000 1.053 549 F HN 0.458 nan 8.300 nan 0.000 0.571 550 Q N 5.138 124.620 119.800 -0.531 0.000 2.353 550 Q HA 0.387 4.726 4.340 -0.000 0.000 0.275 550 Q C -1.678 174.013 176.000 -0.515 0.000 1.029 550 Q CA -1.009 54.605 55.803 -0.315 0.000 0.848 550 Q CB 1.726 30.404 28.738 -0.100 0.000 1.390 550 Q HN 0.659 nan 8.270 nan 0.000 0.401 551 K N 1.750 122.004 120.400 -0.244 0.000 2.259 551 K HA 0.382 4.702 4.320 -0.000 0.000 0.249 551 K C -1.184 175.399 176.600 -0.030 0.000 0.942 551 K CA -0.990 55.213 56.287 -0.140 0.000 0.816 551 K CB 1.347 33.866 32.500 0.031 0.000 1.155 551 K HN 0.603 nan 8.250 nan 0.000 0.428 552 D N 2.603 122.994 120.400 -0.014 0.000 2.378 552 D HA 0.087 4.727 4.640 -0.000 0.000 0.238 552 D C -2.160 174.172 176.300 0.055 0.000 1.180 552 D CA -1.064 52.949 54.000 0.020 0.000 0.895 552 D CB 0.215 41.027 40.800 0.019 0.000 1.192 552 D HN 0.202 nan 8.370 nan 0.000 0.438 553 P HA 0.133 nan 4.420 nan 0.000 0.267 553 P C -2.451 174.908 177.300 0.099 0.000 1.200 553 P CA -0.853 62.299 63.100 0.086 0.000 0.772 553 P CB -0.577 31.169 31.700 0.077 0.000 0.855 554 P HA 0.271 nan 4.420 nan 0.000 0.269 554 P C -1.046 176.330 177.300 0.126 0.000 1.209 554 P CA -0.008 63.178 63.100 0.143 0.000 0.776 554 P CB 0.445 32.255 31.700 0.182 0.000 0.876 555 A N 2.501 125.396 122.820 0.125 0.000 2.446 555 A HA 0.531 4.851 4.320 -0.000 0.000 0.282 555 A C -0.844 176.809 177.584 0.115 0.000 1.102 555 A CA -0.601 51.497 52.037 0.103 0.000 0.737 555 A CB 0.633 19.680 19.000 0.077 0.000 1.212 555 A HN 0.484 nan 8.150 nan 0.000 0.434 556 N N 0.547 119.310 118.700 0.105 0.000 2.292 556 N HA 0.706 5.446 4.740 -0.000 0.000 0.303 556 N C -1.207 174.331 175.510 0.048 0.000 1.140 556 N CA -0.390 52.717 53.050 0.095 0.000 0.788 556 N CB 2.346 40.893 38.487 0.101 0.000 1.361 556 N HN 0.313 nan 8.380 nan 0.000 0.489 557 V N 1.526 121.454 119.914 0.023 0.000 2.686 557 V HA 0.363 4.482 4.120 -0.000 0.000 0.306 557 V C -0.989 175.099 176.094 -0.010 0.000 1.065 557 V CA -0.763 61.541 62.300 0.006 0.000 0.894 557 V CB 1.915 33.742 31.823 0.006 0.000 1.004 557 V HN 0.526 nan 8.190 nan 0.000 0.424 558 Q N 4.249 124.054 119.800 0.010 0.000 2.331 558 Q HA 0.770 5.110 4.340 -0.000 0.000 0.267 558 Q C -1.200 174.857 176.000 0.093 0.000 1.006 558 Q CA -0.185 55.643 55.803 0.042 0.000 0.818 558 Q CB 2.573 31.352 28.738 0.068 0.000 1.276 558 Q HN 0.652 nan 8.270 nan 0.000 0.450 559 L N 4.201 125.479 121.223 0.091 0.000 2.365 559 L HA 0.760 5.100 4.340 -0.000 0.000 0.273 559 L C -0.869 176.105 176.870 0.173 0.000 1.000 559 L CA -0.954 53.913 54.840 0.045 0.000 0.819 559 L CB 0.878 42.932 42.059 -0.010 0.000 1.284 559 L HN 0.713 nan 8.230 nan 0.000 0.418 560 F N 0.111 120.036 119.950 -0.041 0.000 2.745 560 F HA 0.551 5.078 4.527 -0.000 0.000 0.316 560 F C -0.911 174.870 175.800 -0.032 0.000 1.155 560 F CA -1.086 56.891 58.000 -0.037 0.000 0.937 560 F CB 1.695 40.669 39.000 -0.043 0.000 1.361 560 F HN 0.378 nan 8.300 nan 0.000 0.472 561 Q N 1.393 121.275 119.800 0.136 0.000 2.241 561 Q HA 0.348 4.687 4.340 -0.000 0.000 0.254 561 Q C -0.813 175.203 176.000 0.028 0.000 0.917 561 Q CA -0.736 55.067 55.803 0.000 0.000 0.919 561 Q CB 1.646 30.407 28.738 0.038 0.000 1.237 561 Q HN 0.656 nan 8.270 nan 0.000 0.434 562 E N 1.978 122.136 120.200 -0.070 0.000 2.383 562 E HA 0.157 4.507 4.350 -0.000 0.000 0.264 562 E C -0.817 175.792 176.600 0.015 0.000 1.050 562 E CA -0.352 56.034 56.400 -0.024 0.000 0.896 562 E CB 0.886 30.544 29.700 -0.070 0.000 0.982 562 E HN 0.433 nan 8.360 nan 0.000 0.424 563 V N 1.765 121.698 119.914 0.031 0.000 3.185 563 V HA 0.454 4.574 4.120 -0.000 0.000 0.305 563 V C -2.094 173.998 176.094 -0.003 0.000 1.090 563 V CA -1.696 60.612 62.300 0.013 0.000 1.107 563 V CB 0.160 31.988 31.823 0.009 0.000 1.061 563 V HN 0.701 nan 8.190 nan 0.000 0.480 564 P HA 0.208 nan 4.420 nan 0.000 0.266 564 P C -0.093 177.201 177.300 -0.011 0.000 1.195 564 P CA -0.233 62.859 63.100 -0.012 0.000 0.768 564 P CB 0.315 32.008 31.700 -0.013 0.000 0.838 565 K N 1.655 122.048 120.400 -0.011 0.000 2.211 565 K HA -0.148 4.172 4.320 -0.000 0.000 0.204 565 K C 1.078 177.673 176.600 -0.008 0.000 1.047 565 K CA 1.612 57.893 56.287 -0.010 0.000 0.935 565 K CB -0.653 31.840 32.500 -0.011 0.000 0.728 565 K HN 0.572 nan 8.250 nan 0.000 0.452 566 D N -0.246 120.149 120.400 -0.008 0.000 2.339 566 D HA -0.078 4.562 4.640 -0.000 0.000 0.217 566 D C 0.250 176.545 176.300 -0.009 0.000 1.050 566 D CA -0.165 53.831 54.000 -0.006 0.000 0.856 566 D CB -0.360 40.438 40.800 -0.003 0.000 0.922 566 D HN 0.215 nan 8.370 nan 0.000 0.518 567 Q N 1.138 120.930 119.800 -0.013 0.000 2.330 567 Q HA 0.062 4.402 4.340 -0.000 0.000 0.279 567 Q C 0.084 176.074 176.000 -0.016 0.000 1.024 567 Q CA -0.222 55.569 55.803 -0.021 0.000 0.900 567 Q CB 0.682 29.403 28.738 -0.028 0.000 1.221 567 Q HN 0.119 nan 8.270 nan 0.000 0.396 568 S N 2.629 118.318 115.700 -0.018 0.000 2.563 568 S HA -0.046 4.424 4.470 -0.000 0.000 0.284 568 S C 0.813 175.404 174.600 -0.015 0.000 1.331 568 S CA -0.298 57.894 58.200 -0.014 0.000 1.047 568 S CB 0.614 63.806 63.200 -0.014 0.000 0.859 568 S HN 0.769 nan 8.310 nan 0.000 0.514 569 E N 2.882 123.077 120.200 -0.009 0.000 2.338 569 E HA -0.068 4.281 4.350 -0.000 0.000 0.197 569 E C 1.396 177.989 176.600 -0.011 0.000 1.007 569 E CA 0.920 57.317 56.400 -0.006 0.000 0.849 569 E CB -0.032 29.667 29.700 -0.001 0.000 0.774 569 E HN 0.781 nan 8.360 nan 0.000 0.506 570 E N 0.640 120.828 120.200 -0.019 0.000 2.442 570 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 570 E C 0.135 176.712 176.600 -0.038 0.000 1.030 570 E CA -0.055 56.328 56.400 -0.029 0.000 0.869 570 E CB 0.252 29.930 29.700 -0.037 0.000 0.857 570 E HN 0.007 nan 8.360 nan 0.000 0.505 571 D N 0.571 120.947 120.400 -0.040 0.000 2.380 571 D HA 0.032 4.672 4.640 -0.000 0.000 0.230 571 D C 0.600 176.868 176.300 -0.053 0.000 1.154 571 D CA -0.091 53.873 54.000 -0.061 0.000 0.859 571 D CB 0.795 41.550 40.800 -0.075 0.000 1.045 571 D HN -0.126 nan 8.370 nan 0.000 0.495 572 M N 2.845 122.415 119.600 -0.050 0.000 2.428 572 M HA 0.106 4.586 4.480 -0.000 0.000 0.239 572 M C 0.110 176.385 176.300 -0.042 0.000 1.121 572 M CA -0.121 55.160 55.300 -0.032 0.000 1.019 572 M CB -0.120 32.469 32.600 -0.018 0.000 1.485 572 M HN 0.120 nan 8.290 nan 0.000 0.484 573 V N 1.443 121.311 119.914 -0.077 0.000 2.529 573 V HA 0.360 4.479 4.120 -0.000 0.000 0.292 573 V C 1.495 177.550 176.094 -0.065 0.000 1.028 573 V CA 1.043 63.291 62.300 -0.086 0.000 1.074 573 V CB 0.159 31.871 31.823 -0.184 0.000 0.958 573 V HN 0.853 nan 8.190 nan 0.000 0.481 574 G N 4.705 113.482 108.800 -0.038 0.000 2.225 574 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.254 574 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.254 574 G C 0.350 175.253 174.900 0.004 0.000 0.988 574 G CA 0.081 45.173 45.100 -0.014 0.000 0.625 574 G HN 0.615 nan 8.290 nan 0.000 0.527 575 R N 1.040 121.536 120.500 -0.006 0.000 2.500 575 R HA 0.453 4.792 4.340 -0.000 0.000 0.277 575 R C -2.286 173.992 176.300 -0.037 0.000 1.026 575 R CA -1.514 54.594 56.100 0.014 0.000 1.058 575 R CB 1.101 31.416 30.300 0.025 0.000 1.078 575 R HN 0.065 nan 8.270 nan 0.000 0.509 576 P HA 0.035 nan 4.420 nan 0.000 0.220 576 P C -0.756 176.562 177.300 0.030 0.000 1.806 576 P CA -0.211 62.811 63.100 -0.131 0.000 0.976 576 P CB -0.015 31.555 31.700 -0.216 0.000 1.952 577 L N 3.300 124.541 121.223 0.030 0.000 2.367 577 L HA 0.405 4.745 4.340 -0.000 0.000 0.275 577 L C -2.423 174.545 176.870 0.163 0.000 1.129 577 L CA -2.055 52.840 54.840 0.092 0.000 0.839 577 L CB -0.133 41.953 42.059 0.044 0.000 1.133 577 L HN -0.006 nan 8.230 nan 0.000 0.453 578 P HA 0.002 nan 4.420 nan 0.000 0.269 578 P C -0.826 176.601 177.300 0.212 0.000 1.215 578 P CA -0.113 63.159 63.100 0.287 0.000 0.780 578 P CB 0.222 31.997 31.700 0.124 0.000 0.898 579 H N 2.606 121.752 119.070 0.127 0.000 3.173 579 H HA -0.071 4.484 4.556 -0.000 0.000 0.311 579 H C 1.104 176.470 175.328 0.065 0.000 0.972 579 H CA 0.819 56.912 56.048 0.076 0.000 1.384 579 H CB 0.397 30.201 29.762 0.070 0.000 1.349 579 H HN 0.381 nan 8.280 nan 0.000 0.582 580 L N 4.123 125.394 121.223 0.080 0.000 2.265 580 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 580 L C 2.186 179.185 176.870 0.216 0.000 1.117 580 L CA 1.323 56.234 54.840 0.119 0.000 0.782 580 L CB -0.242 41.839 42.059 0.037 0.000 0.914 580 L HN 0.613 nan 8.230 nan 0.000 0.441 581 A N -0.860 122.216 122.820 0.428 0.000 2.387 581 A HA 0.441 4.761 4.320 -0.000 0.000 0.234 581 A C 2.199 179.867 177.584 0.140 0.000 1.253 581 A CA 0.605 52.794 52.037 0.253 0.000 0.894 581 A CB -0.134 19.012 19.000 0.243 0.000 0.963 581 A HN 0.264 nan 8.150 nan 0.000 0.508 582 A N 0.965 123.871 122.820 0.144 0.000 1.930 582 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 582 A C 1.842 179.441 177.584 0.025 0.000 1.175 582 A CA 1.639 53.688 52.037 0.020 0.000 0.627 582 A CB -0.436 18.582 19.000 0.030 0.000 0.815 582 A HN 0.506 nan 8.150 nan 0.000 0.443 583 N N -0.133 118.594 118.700 0.045 0.000 2.188 583 N HA -0.092 4.647 4.740 -0.000 0.000 0.184 583 N C 1.686 177.221 175.510 0.042 0.000 1.018 583 N CA 1.599 54.670 53.050 0.036 0.000 0.858 583 N CB -0.447 38.064 38.487 0.041 0.000 0.989 583 N HN 0.552 nan 8.380 nan 0.000 0.426 584 M N 0.583 120.214 119.600 0.052 0.000 2.296 584 M HA -0.087 4.392 4.480 -0.000 0.000 0.265 584 M C 1.849 178.183 176.300 0.057 0.000 1.064 584 M CA 1.167 56.497 55.300 0.049 0.000 1.109 584 M CB -0.192 32.438 32.600 0.051 0.000 1.396 584 M HN 0.126 nan 8.290 nan 0.000 0.430 585 Q N 0.124 119.960 119.800 0.059 0.000 2.123 585 Q HA -0.044 4.296 4.340 -0.000 0.000 0.199 585 Q C 2.196 178.236 176.000 0.066 0.000 0.966 585 Q CA 1.429 57.285 55.803 0.088 0.000 0.845 585 Q CB -0.149 28.627 28.738 0.064 0.000 0.907 585 Q HN 0.569 nan 8.270 nan 0.000 0.439 586 A N 0.768 123.615 122.820 0.044 0.000 2.066 586 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 586 A C 2.035 179.644 177.584 0.042 0.000 1.157 586 A CA 1.394 53.459 52.037 0.047 0.000 0.670 586 A CB -0.169 18.857 19.000 0.043 0.000 0.804 586 A HN 0.375 nan 8.150 nan 0.000 0.453 587 S N -2.405 113.317 115.700 0.036 0.000 2.556 587 S HA 0.400 4.870 4.470 -0.000 0.000 0.216 587 S C 1.361 175.969 174.600 0.015 0.000 0.970 587 S CA 0.958 59.171 58.200 0.022 0.000 0.912 587 S CB -0.118 63.096 63.200 0.024 0.000 0.790 587 S HN 1.795 nan 8.310 nan 0.000 0.504 588 G N 1.306 110.124 108.800 0.030 0.000 2.148 588 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.254 588 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.254 588 G C 0.480 175.405 174.900 0.042 0.000 0.981 588 G CA 0.550 45.667 45.100 0.029 0.000 0.670 588 G HN 0.588 nan 8.290 nan 0.000 0.528 589 E N -0.012 120.213 120.200 0.042 0.000 2.340 589 E HA 0.425 4.774 4.350 -0.000 0.000 0.194 589 E C 1.795 178.416 176.600 0.035 0.000 0.996 589 E CA 0.295 56.714 56.400 0.031 0.000 0.869 589 E CB 0.195 29.908 29.700 0.022 0.000 0.835 589 E HN 0.772 nan 8.360 nan 0.000 0.493 590 A N 1.506 124.356 122.820 0.050 0.000 2.540 590 A HA 0.160 4.480 4.320 -0.000 0.000 0.239 590 A C 0.100 177.666 177.584 -0.030 0.000 1.061 590 A CA 0.009 52.037 52.037 -0.014 0.000 0.758 590 A CB 0.375 19.360 19.000 -0.024 0.000 0.991 590 A HN 0.008 nan 8.150 nan 0.000 0.502 591 V N 3.756 123.595 119.914 -0.125 0.000 2.394 591 V HA 0.394 4.514 4.120 -0.000 0.000 0.282 591 V C -0.590 175.391 176.094 -0.188 0.000 1.031 591 V CA -0.140 62.131 62.300 -0.049 0.000 0.881 591 V CB 0.558 32.357 31.823 -0.040 0.000 0.982 591 V HN 0.790 nan 8.190 nan 0.000 0.451 592 Y N 1.583 121.949 120.300 0.109 0.000 2.631 592 Y HA 0.340 4.890 4.550 -0.000 0.000 0.328 592 Y C 1.503 177.454 175.900 0.086 0.000 1.118 592 Y CA -0.305 57.874 58.100 0.131 0.000 1.206 592 Y CB 0.859 39.488 38.460 0.281 0.000 1.337 592 Y HN 0.655 nan 8.280 nan 0.000 0.515 593 C N 0.533 119.964 119.300 0.218 0.000 2.376 593 C HA -0.248 4.211 4.460 -0.000 0.000 0.275 593 C C 2.368 177.416 174.990 0.097 0.000 1.200 593 C CA 2.441 61.532 59.018 0.123 0.000 1.756 593 C CB -0.862 26.944 27.740 0.109 0.000 2.050 593 C HN 1.049 nan 8.230 nan 0.000 0.460 594 D N -0.333 120.149 120.400 0.137 0.000 2.363 594 D HA -0.039 4.600 4.640 -0.000 0.000 0.220 594 D C 1.438 177.786 176.300 0.079 0.000 0.994 594 D CA 0.736 54.794 54.000 0.097 0.000 0.890 594 D CB -0.312 40.558 40.800 0.116 0.000 0.906 594 D HN 0.546 nan 8.370 nan 0.000 0.530 595 D N -0.310 120.158 120.400 0.113 0.000 2.317 595 D HA 0.005 4.645 4.640 -0.000 0.000 0.211 595 D C 0.673 176.967 176.300 -0.010 0.000 0.966 595 D CA 0.111 54.152 54.000 0.068 0.000 0.876 595 D CB 0.149 41.023 40.800 0.124 0.000 0.927 595 D HN 0.359 nan 8.370 nan 0.000 0.519 596 I N 2.537 123.078 120.570 -0.048 0.000 2.683 596 I HA -0.011 4.158 4.170 -0.000 0.000 0.286 596 I C -1.924 174.098 176.117 -0.159 0.000 1.175 596 I CA -1.325 59.887 61.300 -0.147 0.000 1.429 596 I CB 0.171 38.020 38.000 -0.251 0.000 1.371 596 I HN -0.295 nan 8.210 nan 0.000 0.569 597 P HA 0.176 nan 4.420 nan 0.000 0.271 597 P C -0.663 176.490 177.300 -0.245 0.000 1.216 597 P CA -0.252 62.736 63.100 -0.187 0.000 0.776 597 P CB 0.486 32.065 31.700 -0.201 0.000 0.881 598 R N 1.945 122.349 120.500 -0.161 0.000 2.594 598 R HA 0.213 4.553 4.340 -0.000 0.000 0.272 598 R C 0.132 176.334 176.300 -0.162 0.000 1.074 598 R CA -0.192 55.834 56.100 -0.123 0.000 1.105 598 R CB 0.107 30.387 30.300 -0.033 0.000 1.008 598 R HN 0.465 nan 8.270 nan 0.000 0.472 599 Y N 1.362 121.643 120.300 -0.032 0.000 2.426 599 Y HA -0.139 4.410 4.550 -0.000 0.000 0.344 599 Y C 1.950 177.840 175.900 -0.017 0.000 1.256 599 Y CA 0.303 58.390 58.100 -0.022 0.000 1.451 599 Y CB 0.566 39.020 38.460 -0.010 0.000 1.342 599 Y HN 0.677 nan 8.280 nan 0.000 0.600 600 E N 0.398 120.701 120.200 0.173 0.000 2.265 600 E HA -0.246 4.103 4.350 -0.000 0.000 0.196 600 E C 0.509 177.156 176.600 0.079 0.000 0.996 600 E CA 1.493 57.946 56.400 0.087 0.000 0.832 600 E CB -0.279 29.461 29.700 0.067 0.000 0.756 600 E HN 0.741 nan 8.360 nan 0.000 0.491 601 N N 1.016 119.775 118.700 0.099 0.000 2.238 601 N HA 0.012 4.752 4.740 -0.000 0.000 0.222 601 N C -0.357 175.187 175.510 0.058 0.000 1.133 601 N CA -0.205 52.876 53.050 0.051 0.000 0.854 601 N CB 0.254 38.749 38.487 0.014 0.000 1.041 601 N HN 0.223 nan 8.380 nan 0.000 0.510 602 E N 0.810 121.071 120.200 0.101 0.000 2.354 602 E HA 0.289 4.639 4.350 -0.000 0.000 0.269 602 E C -0.598 176.038 176.600 0.060 0.000 1.036 602 E CA -0.412 56.048 56.400 0.100 0.000 0.876 602 E CB 0.758 30.542 29.700 0.139 0.000 1.009 602 E HN 0.213 nan 8.360 nan 0.000 0.416 603 L N 1.943 123.196 121.223 0.050 0.000 2.331 603 L HA 0.479 4.818 4.340 -0.000 0.000 0.268 603 L C -0.220 176.677 176.870 0.045 0.000 1.015 603 L CA -0.908 53.953 54.840 0.036 0.000 0.807 603 L CB 2.007 44.075 42.059 0.014 0.000 1.293 603 L HN 0.464 nan 8.230 nan 0.000 0.451 604 S N 1.196 116.921 115.700 0.043 0.000 2.503 604 S HA 0.682 5.152 4.470 -0.000 0.000 0.301 604 S C -0.918 173.717 174.600 0.058 0.000 1.087 604 S CA -0.520 57.712 58.200 0.052 0.000 1.042 604 S CB 2.032 65.262 63.200 0.051 0.000 1.043 604 S HN 0.413 nan 8.310 nan 0.000 0.489 605 L N 2.720 123.985 121.223 0.071 0.000 2.362 605 L HA 0.799 5.139 4.340 -0.000 0.000 0.271 605 L C -0.775 176.158 176.870 0.104 0.000 1.002 605 L CA -0.710 54.182 54.840 0.086 0.000 0.818 605 L CB 1.623 43.736 42.059 0.091 0.000 1.298 605 L HN 0.692 nan 8.230 nan 0.000 0.420 606 R N 4.145 124.721 120.500 0.127 0.000 2.532 606 R HA 0.577 4.916 4.340 -0.000 0.000 0.297 606 R C -1.597 174.807 176.300 0.173 0.000 0.984 606 R CA -0.540 55.643 56.100 0.138 0.000 0.884 606 R CB 1.392 31.771 30.300 0.132 0.000 1.182 606 R HN 0.698 nan 8.270 nan 0.000 0.442 607 L N 3.644 124.971 121.223 0.174 0.000 2.439 607 L HA 0.322 4.662 4.340 -0.000 0.000 0.269 607 L C -0.308 176.690 176.870 0.214 0.000 1.179 607 L CA -0.619 54.347 54.840 0.211 0.000 0.828 607 L CB 1.200 43.379 42.059 0.200 0.000 1.106 607 L HN 0.343 nan 8.230 nan 0.000 0.467 608 V N 1.446 121.516 119.914 0.260 0.000 2.384 608 V HA 0.403 4.523 4.120 -0.000 0.000 0.287 608 V C 0.225 176.460 176.094 0.234 0.000 1.020 608 V CA -0.462 61.986 62.300 0.246 0.000 0.850 608 V CB 1.759 33.783 31.823 0.335 0.000 0.987 608 V HN 0.935 nan 8.190 nan 0.000 0.436 609 T N 1.109 115.784 114.554 0.202 0.000 2.932 609 T HA 0.539 4.889 4.350 -0.000 0.000 0.289 609 T C 0.069 174.900 174.700 0.218 0.000 1.039 609 T CA -0.658 61.567 62.100 0.210 0.000 1.024 609 T CB 1.732 70.715 68.868 0.192 0.000 1.090 609 T HN 0.534 nan 8.240 nan 0.000 0.496 610 S N 0.696 116.539 115.700 0.238 0.000 2.549 610 S HA 0.230 4.700 4.470 -0.000 0.000 0.286 610 S C 1.333 176.028 174.600 0.158 0.000 1.314 610 S CA 0.033 58.392 58.200 0.264 0.000 1.062 610 S CB -0.068 63.289 63.200 0.262 0.000 0.865 610 S HN 0.975 nan 8.310 nan 0.000 0.498 611 T N 2.764 117.369 114.554 0.086 0.000 3.145 611 T HA 0.365 4.715 4.350 -0.000 0.000 0.255 611 T C 0.282 174.857 174.700 -0.207 0.000 1.039 611 T CA -0.438 61.638 62.100 -0.040 0.000 0.928 611 T CB -0.033 68.832 68.868 -0.005 0.000 1.029 611 T HN 0.408 nan 8.240 nan 0.000 0.554 612 R N 0.205 120.530 120.500 -0.291 0.000 2.686 612 R HA 0.755 5.094 4.340 -0.000 0.000 0.286 612 R C 0.943 177.216 176.300 -0.046 0.000 0.969 612 R CA -0.292 55.649 56.100 -0.264 0.000 0.898 612 R CB 1.433 31.423 30.300 -0.517 0.000 1.183 612 R HN 0.137 nan 8.270 nan 0.000 0.456 613 A N 1.295 124.114 122.820 -0.002 0.000 1.930 613 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 613 A C 0.444 178.120 177.584 0.152 0.000 1.175 613 A CA 1.372 53.446 52.037 0.062 0.000 0.627 613 A CB -0.100 18.924 19.000 0.041 0.000 0.815 613 A HN 0.728 nan 8.150 nan 0.000 0.443 614 H N -2.145 116.932 119.070 0.013 0.000 3.179 614 H HA 0.526 5.081 4.556 -0.000 0.000 0.331 614 H C -1.296 174.062 175.328 0.049 0.000 1.013 614 H CA -0.265 55.811 56.048 0.046 0.000 1.430 614 H CB 1.054 30.831 29.762 0.026 0.000 1.895 614 H HN 0.461 nan 8.280 nan 0.000 0.468 615 A N 4.560 127.445 122.820 0.108 0.000 2.605 615 A HA 0.369 4.689 4.320 -0.000 0.000 0.294 615 A C -1.361 176.280 177.584 0.095 0.000 1.062 615 A CA -0.988 51.084 52.037 0.059 0.000 0.682 615 A CB 1.795 20.902 19.000 0.178 0.000 1.278 615 A HN 0.608 nan 8.150 nan 0.000 0.410 616 K N 0.987 121.419 120.400 0.053 0.000 2.270 616 K HA 0.411 4.730 4.320 -0.000 0.000 0.276 616 K C -0.664 175.993 176.600 0.094 0.000 1.023 616 K CA 0.038 56.364 56.287 0.065 0.000 0.955 616 K CB 0.797 33.311 32.500 0.024 0.000 0.975 616 K HN 0.547 nan 8.250 nan 0.000 0.471 617 I N 3.324 123.917 120.570 0.039 0.000 2.363 617 I HA -0.062 4.107 4.170 -0.000 0.000 0.292 617 I C 1.734 177.815 176.117 -0.061 0.000 1.075 617 I CA -0.074 61.187 61.300 -0.065 0.000 1.333 617 I CB 0.761 38.718 38.000 -0.072 0.000 1.415 617 I HN 0.821 nan 8.210 nan 0.000 0.502 618 T N 1.055 115.560 114.554 -0.082 0.000 2.894 618 T HA 0.059 4.408 4.350 -0.000 0.000 0.258 618 T C 0.714 175.378 174.700 -0.061 0.000 1.043 618 T CA 0.585 62.656 62.100 -0.049 0.000 1.141 618 T CB 0.121 68.973 68.868 -0.028 0.000 0.873 618 T HN 0.637 nan 8.240 nan 0.000 0.449 619 S N -0.382 115.258 115.700 -0.100 0.000 2.611 619 S HA 0.675 5.145 4.470 -0.000 0.000 0.268 619 S C -1.761 172.773 174.600 -0.111 0.000 1.156 619 S CA -1.256 56.896 58.200 -0.079 0.000 0.817 619 S CB 1.109 64.273 63.200 -0.058 0.000 1.122 619 S HN 0.334 nan 8.310 nan 0.000 0.466 620 I N 1.343 121.869 120.570 -0.073 0.000 2.534 620 I HA 0.441 4.610 4.170 -0.000 0.000 0.288 620 I C -1.497 174.574 176.117 -0.078 0.000 1.077 620 I CA -0.377 60.875 61.300 -0.080 0.000 1.051 620 I CB 2.045 40.044 38.000 -0.001 0.000 1.234 620 I HN 0.706 nan 8.210 nan 0.000 0.425 621 D N 4.590 124.919 120.400 -0.118 0.000 2.381 621 D HA 0.234 4.874 4.640 -0.000 0.000 0.235 621 D C 0.463 176.656 176.300 -0.178 0.000 1.068 621 D CA -0.207 53.722 54.000 -0.117 0.000 0.832 621 D CB 1.858 42.597 40.800 -0.102 0.000 1.101 621 D HN 0.663 nan 8.370 nan 0.000 0.515 622 T N -0.221 114.229 114.554 -0.173 0.000 3.176 622 T HA 0.105 4.455 4.350 -0.000 0.000 0.263 622 T C 1.437 175.976 174.700 -0.267 0.000 1.021 622 T CA -0.260 61.682 62.100 -0.263 0.000 0.905 622 T CB 0.152 68.884 68.868 -0.226 0.000 1.057 622 T HN 0.121 nan 8.240 nan 0.000 0.558 623 S N 2.218 117.803 115.700 -0.192 0.000 2.359 623 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 623 S C 2.030 176.500 174.600 -0.216 0.000 1.035 623 S CA 1.106 59.200 58.200 -0.178 0.000 1.018 623 S CB -0.207 62.920 63.200 -0.121 0.000 0.876 623 S HN 0.497 nan 8.310 nan 0.000 0.448 624 E N 1.661 121.740 120.200 -0.202 0.000 2.072 624 E HA -0.028 4.321 4.350 -0.000 0.000 0.191 624 E C 2.431 178.871 176.600 -0.267 0.000 0.985 624 E CA 1.101 57.386 56.400 -0.191 0.000 0.801 624 E CB -0.677 28.937 29.700 -0.144 0.000 0.750 624 E HN 0.491 nan 8.360 nan 0.000 0.452 625 A N 1.700 124.305 122.820 -0.359 0.000 1.908 625 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 625 A C 2.068 179.141 177.584 -0.851 0.000 1.181 625 A CA 1.850 53.581 52.037 -0.511 0.000 0.627 625 A CB -0.456 18.197 19.000 -0.579 0.000 0.818 625 A HN 0.144 nan 8.150 nan 0.000 0.445 626 K N -0.359 119.504 120.400 -0.894 0.000 2.360 626 K HA -0.080 4.240 4.320 -0.000 0.000 0.201 626 K C 1.601 177.985 176.600 -0.360 0.000 1.046 626 K CA 1.245 57.031 56.287 -0.836 0.000 0.945 626 K CB -0.060 32.175 32.500 -0.441 0.000 0.750 626 K HN 0.461 nan 8.250 nan 0.000 0.464 627 K N 0.490 120.725 120.400 -0.276 0.000 2.418 627 K HA 0.053 4.373 4.320 -0.000 0.000 0.195 627 K C 0.122 176.650 176.600 -0.120 0.000 1.035 627 K CA 0.119 56.318 56.287 -0.148 0.000 1.003 627 K CB 0.454 32.880 32.500 -0.123 0.000 0.793 627 K HN -0.099 nan 8.250 nan 0.000 0.494 628 V N 4.250 124.081 119.914 -0.139 0.000 2.572 628 V HA 0.040 4.160 4.120 -0.000 0.000 0.291 628 V C -2.151 173.868 176.094 -0.126 0.000 1.039 628 V CA -1.607 60.627 62.300 -0.110 0.000 1.055 628 V CB 0.359 32.149 31.823 -0.055 0.000 0.969 628 V HN 0.085 nan 8.190 nan 0.000 0.482 629 P HA 0.213 nan 4.420 nan 0.000 0.266 629 P C 0.944 178.035 177.300 -0.349 0.000 1.195 629 P CA 1.157 64.092 63.100 -0.275 0.000 0.768 629 P CB 0.584 32.078 31.700 -0.343 0.000 0.838 630 G N 1.808 110.569 108.800 -0.065 0.000 2.199 630 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 630 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 630 G C 0.056 175.018 174.900 0.104 0.000 0.982 630 G CA -0.298 44.842 45.100 0.066 0.000 0.632 630 G HN 0.561 nan 8.290 nan 0.000 0.529 631 F N 1.388 121.321 119.950 -0.029 0.000 2.578 631 F HA 0.434 4.961 4.527 -0.000 0.000 0.376 631 F C 1.299 177.111 175.800 0.020 0.000 1.085 631 F CA 0.872 58.875 58.000 0.006 0.000 1.260 631 F CB 1.032 40.022 39.000 -0.016 0.000 1.095 631 F HN -0.066 nan 8.300 nan 0.000 0.573 632 V N 4.429 123.870 119.914 -0.787 0.000 2.721 632 V HA 0.095 4.214 4.120 -0.000 0.000 0.236 632 V C 0.415 176.009 176.094 -0.833 0.000 1.116 632 V CA 1.029 62.982 62.300 -0.579 0.000 1.148 632 V CB 0.319 31.959 31.823 -0.304 0.000 0.886 632 V HN 1.019 nan 8.190 nan 0.000 0.490 633 C N -1.821 116.837 119.300 -1.070 0.000 3.306 633 C HA 0.720 5.180 4.460 -0.000 0.000 0.335 633 C C -1.432 173.420 174.990 -0.230 0.000 1.382 633 C CA -1.177 57.505 59.018 -0.561 0.000 1.254 633 C CB 1.123 28.747 27.740 -0.194 0.000 1.555 633 C HN 0.296 nan 8.230 nan 0.000 0.463 634 F N 2.237 122.204 119.950 0.028 0.000 2.403 634 F HA 0.747 5.274 4.527 -0.000 0.000 0.355 634 F C -0.602 175.158 175.800 -0.067 0.000 1.119 634 F CA -1.484 56.553 58.000 0.062 0.000 1.007 634 F CB 0.713 39.827 39.000 0.190 0.000 1.194 634 F HN 0.686 nan 8.300 nan 0.000 0.443 635 L N 6.294 127.138 121.223 -0.633 0.000 2.331 635 L HA 0.491 4.831 4.340 -0.000 0.000 0.278 635 L C 0.561 176.641 176.870 -1.316 0.000 1.106 635 L CA -0.218 54.192 54.840 -0.718 0.000 0.824 635 L CB 1.029 42.816 42.059 -0.454 0.000 1.142 635 L HN 0.771 nan 8.230 nan 0.000 0.443 636 T N -1.060 112.962 114.554 -0.886 0.000 2.693 636 T HA 0.539 4.889 4.350 -0.000 0.000 0.278 636 T C 0.961 175.519 174.700 -0.238 0.000 0.994 636 T CA -0.105 61.526 62.100 -0.780 0.000 1.033 636 T CB 1.407 70.009 68.868 -0.444 0.000 1.342 636 T HN 0.425 nan 8.240 nan 0.000 0.538 637 A N 0.038 122.857 122.820 -0.001 0.000 1.978 637 A HA -0.049 4.271 4.320 -0.000 0.000 0.220 637 A C 2.022 179.655 177.584 0.081 0.000 1.170 637 A CA 1.889 54.022 52.037 0.160 0.000 0.636 637 A CB -1.226 17.842 19.000 0.112 0.000 0.810 637 A HN 0.919 nan 8.150 nan 0.000 0.448 638 E N -0.073 120.135 120.200 0.013 0.000 2.268 638 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 638 E C 0.792 177.405 176.600 0.022 0.000 0.995 638 E CA 0.963 57.371 56.400 0.014 0.000 0.836 638 E CB -0.060 29.638 29.700 -0.003 0.000 0.763 638 E HN 0.575 nan 8.360 nan 0.000 0.491 639 D N 0.276 120.686 120.400 0.016 0.000 2.355 639 D HA -0.024 4.616 4.640 -0.000 0.000 0.218 639 D C 0.067 176.421 176.300 0.090 0.000 1.004 639 D CA 0.255 54.277 54.000 0.038 0.000 0.880 639 D CB 0.421 41.218 40.800 -0.005 0.000 0.911 639 D HN -0.020 nan 8.370 nan 0.000 0.528 640 V N 2.741 122.721 119.914 0.110 0.000 2.529 640 V HA -0.025 4.094 4.120 -0.000 0.000 0.292 640 V C -1.120 175.000 176.094 0.044 0.000 1.028 640 V CA -0.632 61.720 62.300 0.087 0.000 1.074 640 V CB 1.221 33.086 31.823 0.070 0.000 0.958 640 V HN -0.038 nan 8.190 nan 0.000 0.481 641 P HA -0.057 nan 4.420 nan 0.000 0.216 641 P C 1.058 178.352 177.300 -0.010 0.000 1.153 641 P CA 1.140 64.242 63.100 0.005 0.000 0.844 641 P CB 0.377 32.043 31.700 -0.056 0.000 0.787 642 N N -1.968 116.717 118.700 -0.026 0.000 3.048 642 N HA 0.048 4.788 4.740 -0.000 0.000 0.225 642 N C -0.226 175.271 175.510 -0.021 0.000 1.103 642 N CA 0.075 53.109 53.050 -0.026 0.000 1.182 642 N CB 0.237 38.700 38.487 -0.040 0.000 1.553 642 N HN -0.137 nan 8.380 nan 0.000 0.584 643 S N 0.076 115.756 115.700 -0.034 0.000 2.500 643 S HA 0.315 4.785 4.470 -0.000 0.000 0.301 643 S C -0.355 174.216 174.600 -0.049 0.000 1.092 643 S CA -0.585 57.594 58.200 -0.036 0.000 1.030 643 S CB 1.404 64.576 63.200 -0.047 0.000 1.031 643 S HN 0.401 nan 8.310 nan 0.000 0.483 644 N N 2.896 121.575 118.700 -0.034 0.000 2.322 644 N HA 0.295 5.035 4.740 -0.000 0.000 0.194 644 N C -0.136 175.334 175.510 -0.066 0.000 1.126 644 N CA 0.080 53.104 53.050 -0.043 0.000 0.845 644 N CB 0.301 38.791 38.487 0.006 0.000 0.976 644 N HN 0.647 nan 8.380 nan 0.000 0.475 645 A N -0.561 122.212 122.820 -0.078 0.000 2.260 645 A HA 0.595 4.915 4.320 -0.000 0.000 0.308 645 A C 0.305 177.775 177.584 -0.189 0.000 1.254 645 A CA -0.310 51.670 52.037 -0.096 0.000 0.874 645 A CB 0.746 19.709 19.000 -0.062 0.000 1.153 645 A HN 0.210 nan 8.150 nan 0.000 0.527 646 T N 0.889 115.289 114.554 -0.256 0.000 2.618 646 T HA 0.773 5.123 4.350 -0.000 0.000 0.293 646 T C 0.037 174.425 174.700 -0.520 0.000 1.093 646 T CA 0.850 62.644 62.100 -0.511 0.000 1.061 646 T CB 0.980 69.542 68.868 -0.510 0.000 1.498 646 T HN 2.659 nan 8.240 nan 0.000 0.494 647 G N 0.430 108.700 108.800 -0.885 0.000 2.690 647 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.686 647 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.686 647 G C 0.295 175.082 174.900 -0.187 0.000 1.277 647 G CA -0.092 44.782 45.100 -0.376 0.000 0.799 647 G HN 1.136 nan 8.290 nan 0.000 0.613 648 L N 0.096 121.382 121.223 0.104 0.000 2.043 648 L HA 0.172 4.512 4.340 -0.000 0.000 0.212 648 L C 2.128 178.729 176.870 -0.448 0.000 1.075 648 L CA 2.575 57.395 54.840 -0.034 0.000 0.752 648 L CB -0.474 41.554 42.059 -0.052 0.000 0.891 648 L HN 0.576 nan 8.230 nan 0.000 0.432 649 F N -1.036 118.938 119.950 0.040 0.000 2.647 649 F HA 0.234 4.761 4.527 -0.000 0.000 0.300 649 F C 1.203 177.000 175.800 -0.004 0.000 1.106 649 F CA -0.056 57.958 58.000 0.023 0.000 1.313 649 F CB -0.351 38.656 39.000 0.011 0.000 1.007 649 F HN 0.136 nan 8.300 nan 0.000 0.536 650 N N 1.349 120.050 118.700 0.002 0.000 2.741 650 N HA -0.219 4.521 4.740 -0.000 0.000 0.250 650 N C 0.022 175.535 175.510 0.006 0.000 1.115 650 N CA 1.166 54.190 53.050 -0.043 0.000 0.724 650 N CB -0.954 37.521 38.487 -0.020 0.000 1.090 650 N HN 0.485 nan 8.380 nan 0.000 0.558 651 D N -1.395 119.029 120.400 0.040 0.000 2.501 651 D HA 0.148 4.788 4.640 -0.000 0.000 0.224 651 D C 0.221 176.543 176.300 0.036 0.000 1.202 651 D CA -0.121 53.917 54.000 0.064 0.000 0.829 651 D CB 0.063 40.938 40.800 0.125 0.000 1.023 651 D HN 0.626 nan 8.370 nan 0.000 0.499 652 E N 0.625 120.816 120.200 -0.016 0.000 2.244 652 E HA 0.396 4.746 4.350 -0.000 0.000 0.266 652 E C -0.596 175.988 176.600 -0.028 0.000 0.914 652 E CA -0.684 55.699 56.400 -0.027 0.000 0.794 652 E CB 1.567 31.229 29.700 -0.063 0.000 1.210 652 E HN 0.076 nan 8.360 nan 0.000 0.414 653 T N -0.103 114.475 114.554 0.041 0.000 2.909 653 T HA 0.200 4.550 4.350 -0.000 0.000 0.286 653 T C 1.195 175.876 174.700 -0.033 0.000 1.002 653 T CA -0.839 61.289 62.100 0.047 0.000 1.074 653 T CB 1.474 70.447 68.868 0.175 0.000 0.984 653 T HN 0.252 nan 8.240 nan 0.000 0.495 654 V N 1.071 120.902 119.914 -0.138 0.000 2.270 654 V HA 0.107 4.226 4.120 -0.000 0.000 0.245 654 V C 0.417 176.235 176.094 -0.459 0.000 1.043 654 V CA 1.227 63.313 62.300 -0.357 0.000 1.014 654 V CB -0.727 30.824 31.823 -0.452 0.000 0.645 654 V HN 0.861 nan 8.190 nan 0.000 0.447 655 F N -1.202 118.759 119.950 0.018 0.000 2.540 655 F HA 0.708 5.235 4.527 -0.001 0.000 0.317 655 F C 0.361 176.156 175.800 -0.008 0.000 1.104 655 F CA -0.916 57.085 58.000 0.002 0.000 0.913 655 F CB 1.211 40.179 39.000 -0.054 0.000 1.170 655 F HN 0.004 nan 8.300 nan 0.000 0.450 656 A N 3.391 126.280 122.820 0.115 0.000 2.565 656 A HA 0.182 4.502 4.320 -0.000 0.000 0.237 656 A C -0.196 177.398 177.584 0.017 0.000 1.053 656 A CA 0.142 52.123 52.037 -0.093 0.000 0.755 656 A CB 0.158 18.915 19.000 -0.406 0.000 0.980 656 A HN 0.747 nan 8.150 nan 0.000 0.506 657 K N 2.081 122.505 120.400 0.040 0.000 2.502 657 K HA 0.380 4.700 4.320 -0.000 0.000 0.254 657 K C -0.641 175.986 176.600 0.045 0.000 0.947 657 K CA -0.386 55.928 56.287 0.044 0.000 0.834 657 K CB 0.650 33.184 32.500 0.057 0.000 1.112 657 K HN 0.806 nan 8.250 nan 0.000 0.427 658 D N 0.808 121.226 120.400 0.031 0.000 3.031 658 D HA -0.251 4.389 4.640 -0.000 0.000 0.180 658 D C -0.220 176.109 176.300 0.050 0.000 1.571 658 D CA 2.163 56.184 54.000 0.034 0.000 2.057 658 D CB -0.352 40.473 40.800 0.042 0.000 1.356 658 D HN 0.842 nan 8.370 nan 0.000 0.442 659 E N 0.114 120.360 120.200 0.077 0.000 2.383 659 E HA 0.550 4.900 4.350 -0.000 0.000 0.275 659 E C -0.267 176.418 176.600 0.142 0.000 0.918 659 E CA -1.052 55.423 56.400 0.124 0.000 0.764 659 E CB 2.897 32.694 29.700 0.162 0.000 1.252 659 E HN 0.077 nan 8.360 nan 0.000 0.449 660 V N -0.832 119.208 119.914 0.210 0.000 2.630 660 V HA 0.664 4.784 4.120 -0.000 0.000 0.305 660 V C 0.366 176.732 176.094 0.452 0.000 1.046 660 V CA 0.064 62.539 62.300 0.291 0.000 0.934 660 V CB 1.264 33.236 31.823 0.248 0.000 1.003 660 V HN 0.990 nan 8.190 nan 0.000 0.451 661 T N -1.627 113.268 114.554 0.569 0.000 3.111 661 T HA 0.398 4.748 4.350 -0.000 0.000 0.284 661 T C 0.187 174.934 174.700 0.078 0.000 0.983 661 T CA 0.382 62.599 62.100 0.196 0.000 0.900 661 T CB -0.648 68.238 68.868 0.029 0.000 1.132 661 T HN 1.744 nan 8.240 nan 0.000 0.531 662 C N -0.780 118.621 119.300 0.168 0.000 3.292 662 C HA 0.750 5.209 4.460 -0.000 0.000 0.338 662 C C -0.523 174.555 174.990 0.146 0.000 1.323 662 C CA -1.158 57.921 59.018 0.102 0.000 1.232 662 C CB 0.914 28.680 27.740 0.044 0.000 1.517 662 C HN 0.131 nan 8.230 nan 0.000 0.470 663 V N 2.900 122.876 119.914 0.104 0.000 2.450 663 V HA 0.523 4.643 4.120 -0.000 0.000 0.281 663 V C 1.496 177.670 176.094 0.132 0.000 1.019 663 V CA 2.375 64.736 62.300 0.102 0.000 1.062 663 V CB 0.127 31.994 31.823 0.073 0.000 0.979 663 V HN 2.159 nan 8.190 nan 0.000 0.477 664 G N 3.519 112.416 108.800 0.162 0.000 2.192 664 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.193 664 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.193 664 G C 0.155 175.190 174.900 0.225 0.000 0.999 664 G CA 0.046 45.249 45.100 0.171 0.000 0.659 664 G HN 0.855 nan 8.290 nan 0.000 0.503 665 H N 0.674 119.822 119.070 0.129 0.000 2.848 665 H HA 0.488 5.044 4.556 -0.000 0.000 0.317 665 H C 0.704 176.133 175.328 0.168 0.000 1.046 665 H CA -0.629 55.501 56.048 0.137 0.000 1.470 665 H CB 0.305 30.151 29.762 0.139 0.000 1.483 665 H HN 0.218 nan 8.280 nan 0.000 0.548 666 I N 7.213 128.050 120.570 0.445 0.000 2.517 666 I HA -0.128 4.041 4.170 -0.000 0.000 0.285 666 I C 0.960 177.239 176.117 0.271 0.000 1.106 666 I CA 0.338 61.834 61.300 0.327 0.000 1.402 666 I CB 0.739 38.929 38.000 0.316 0.000 1.399 666 I HN 0.727 nan 8.210 nan 0.000 0.535 667 I N 4.823 125.520 120.570 0.212 0.000 2.731 667 I HA 0.213 4.383 4.170 -0.000 0.000 0.260 667 I C 1.220 177.356 176.117 0.032 0.000 1.138 667 I CA 0.347 61.723 61.300 0.126 0.000 1.461 667 I CB 0.073 38.156 38.000 0.138 0.000 1.128 667 I HN 0.741 nan 8.210 nan 0.000 0.438 668 G N 0.107 108.904 108.800 -0.005 0.000 2.490 668 G HA2 0.720 4.679 3.960 -0.000 0.000 0.308 668 G HA3 0.720 4.679 3.960 -0.000 0.000 0.308 668 G C -2.078 172.660 174.900 -0.269 0.000 1.286 668 G CA 0.078 44.738 45.100 -0.733 0.000 0.825 668 G HN 0.145 nan 8.290 nan 0.000 0.479 669 A N -0.813 121.723 122.820 -0.474 0.000 2.459 669 A HA 0.719 5.038 4.320 -0.000 0.000 0.296 669 A C -0.933 176.729 177.584 0.129 0.000 1.039 669 A CA -0.432 51.615 52.037 0.017 0.000 0.698 669 A CB 1.784 20.842 19.000 0.097 0.000 1.261 669 A HN 1.394 nan 8.150 nan 0.000 0.405 670 V N 2.294 122.402 119.914 0.324 0.000 2.546 670 V HA 0.426 4.546 4.120 -0.000 0.000 0.284 670 V C 0.005 176.168 176.094 0.114 0.000 1.050 670 V CA -0.224 62.268 62.300 0.320 0.000 0.981 670 V CB 1.505 33.532 31.823 0.341 0.000 0.990 670 V HN 0.654 nan 8.190 nan 0.000 0.474 671 V N 4.159 124.051 119.914 -0.037 0.000 2.459 671 V HA 0.928 5.048 4.120 -0.000 0.000 0.295 671 V C 0.227 176.232 176.094 -0.147 0.000 1.029 671 V CA -0.102 62.151 62.300 -0.078 0.000 0.874 671 V CB 1.372 33.127 31.823 -0.114 0.000 0.985 671 V HN 1.099 nan 8.190 nan 0.000 0.438 672 A N 2.794 125.596 122.820 -0.030 0.000 2.588 672 A HA 0.686 5.006 4.320 -0.000 0.000 0.290 672 A C 0.451 178.069 177.584 0.057 0.000 1.136 672 A CA -0.044 52.004 52.037 0.019 0.000 0.681 672 A CB 1.333 20.418 19.000 0.141 0.000 1.282 672 A HN 0.722 nan 8.150 nan 0.000 0.421 673 D N -0.096 120.368 120.400 0.107 0.000 2.117 673 D HA -0.009 4.631 4.640 -0.000 0.000 0.198 673 D C 0.970 177.309 176.300 0.064 0.000 0.982 673 D CA 2.177 56.229 54.000 0.088 0.000 0.828 673 D CB -0.660 40.210 40.800 0.117 0.000 0.967 673 D HN 0.757 nan 8.370 nan 0.000 0.464 674 T N -4.328 110.265 114.554 0.064 0.000 2.942 674 T HA 0.495 4.845 4.350 -0.000 0.000 0.289 674 T C -2.302 172.403 174.700 0.008 0.000 1.044 674 T CA -1.905 60.182 62.100 -0.022 0.000 1.023 674 T CB 2.539 71.289 68.868 -0.196 0.000 1.123 674 T HN -0.332 nan 8.240 nan 0.000 0.512 675 P HA 0.023 nan 4.420 nan 0.000 0.217 675 P C 1.037 178.352 177.300 0.024 0.000 1.150 675 P CA 0.915 64.029 63.100 0.024 0.000 0.832 675 P CB 0.099 31.808 31.700 0.016 0.000 0.787 676 E N -1.644 118.539 120.200 -0.029 0.000 2.107 676 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 676 E C 1.891 178.548 176.600 0.095 0.000 0.982 676 E CA 1.108 57.502 56.400 -0.010 0.000 0.809 676 E CB -0.895 28.760 29.700 -0.075 0.000 0.756 676 E HN 0.519 nan 8.360 nan 0.000 0.459 677 H N -0.608 118.492 119.070 0.051 0.000 2.428 677 H HA 0.114 4.669 4.556 -0.000 0.000 0.296 677 H C 1.952 177.336 175.328 0.093 0.000 1.062 677 H CA 0.450 56.539 56.048 0.069 0.000 1.350 677 H CB 0.165 29.972 29.762 0.075 0.000 1.403 677 H HN 0.205 nan 8.280 nan 0.000 0.533 678 A N 0.960 123.907 122.820 0.211 0.000 1.902 678 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 678 A C 2.207 179.878 177.584 0.145 0.000 1.181 678 A CA 1.658 53.798 52.037 0.171 0.000 0.623 678 A CB -0.548 18.529 19.000 0.128 0.000 0.818 678 A HN 0.437 nan 8.150 nan 0.000 0.443 679 Q N -0.481 119.385 119.800 0.111 0.000 2.050 679 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 679 Q C 2.333 178.378 176.000 0.074 0.000 0.980 679 Q CA 1.763 57.614 55.803 0.080 0.000 0.840 679 Q CB -0.113 28.653 28.738 0.047 0.000 0.898 679 Q HN 0.667 nan 8.270 nan 0.000 0.424 680 R N -0.316 120.237 120.500 0.088 0.000 2.083 680 R HA -0.144 4.196 4.340 -0.000 0.000 0.237 680 R C 2.315 178.639 176.300 0.041 0.000 1.137 680 R CA 1.298 57.435 56.100 0.062 0.000 0.951 680 R CB -0.418 29.932 30.300 0.083 0.000 0.851 680 R HN 0.307 nan 8.270 nan 0.000 0.434 681 A N 1.049 123.919 122.820 0.084 0.000 1.930 681 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 681 A C 2.335 179.932 177.584 0.022 0.000 1.175 681 A CA 1.546 53.620 52.037 0.062 0.000 0.627 681 A CB -0.546 18.625 19.000 0.285 0.000 0.815 681 A HN 0.405 nan 8.150 nan 0.000 0.443 682 A N -0.197 122.662 122.820 0.066 0.000 1.933 682 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 682 A C 2.185 179.756 177.584 -0.021 0.000 1.175 682 A CA 1.329 53.385 52.037 0.033 0.000 0.628 682 A CB -0.444 18.612 19.000 0.092 0.000 0.814 682 A HN 0.526 nan 8.150 nan 0.000 0.444 683 R N -0.867 119.629 120.500 -0.006 0.000 2.193 683 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 683 R C 1.864 178.129 176.300 -0.058 0.000 1.110 683 R CA 0.866 56.955 56.100 -0.018 0.000 0.988 683 R CB -0.328 29.968 30.300 -0.006 0.000 0.871 683 R HN 0.510 nan 8.270 nan 0.000 0.458 684 G N 0.231 108.974 108.800 -0.095 0.000 3.088 684 G HA2 0.085 4.045 3.960 -0.000 0.000 0.212 684 G HA3 0.085 4.045 3.960 -0.000 0.000 0.212 684 G C 0.187 174.961 174.900 -0.210 0.000 1.173 684 G CA -0.194 44.819 45.100 -0.144 0.000 0.779 684 G HN -0.022 nan 8.290 nan 0.000 0.540 685 V N 2.089 121.860 119.914 -0.238 0.000 2.348 685 V HA 0.291 4.411 4.120 -0.000 0.000 0.270 685 V C -0.376 175.588 176.094 -0.216 0.000 1.037 685 V CA -0.727 61.362 62.300 -0.351 0.000 0.872 685 V CB 1.162 32.612 31.823 -0.621 0.000 1.002 685 V HN 0.083 nan 8.190 nan 0.000 0.464 686 K N 5.791 126.079 120.400 -0.187 0.000 2.293 686 K HA 0.546 4.865 4.320 -0.000 0.000 0.267 686 K C -0.845 175.672 176.600 -0.139 0.000 1.010 686 K CA -0.563 55.654 56.287 -0.117 0.000 0.875 686 K CB 2.224 34.668 32.500 -0.093 0.000 1.106 686 K HN 0.407 nan 8.250 nan 0.000 0.450 687 I N 2.795 123.280 120.570 -0.143 0.000 2.353 687 I HA 0.152 4.322 4.170 -0.000 0.000 0.293 687 I C 0.914 176.822 176.117 -0.347 0.000 0.992 687 I CA -0.477 60.637 61.300 -0.310 0.000 1.268 687 I CB 1.244 38.953 38.000 -0.484 0.000 1.387 687 I HN 0.520 nan 8.210 nan 0.000 0.478 688 T N 3.753 118.098 114.554 -0.349 0.000 2.794 688 T HA 0.675 5.024 4.350 -0.000 0.000 0.280 688 T C -0.842 173.684 174.700 -0.290 0.000 0.987 688 T CA -0.455 61.525 62.100 -0.200 0.000 0.993 688 T CB 0.992 69.812 68.868 -0.079 0.000 0.939 688 T HN 0.313 nan 8.240 nan 0.000 0.449 689 Y N 0.477 120.781 120.300 0.006 0.000 2.570 689 Y HA 0.600 5.150 4.550 -0.000 0.000 0.345 689 Y C 0.297 176.196 175.900 -0.002 0.000 1.014 689 Y CA -1.248 56.855 58.100 0.006 0.000 1.063 689 Y CB 2.109 40.578 38.460 0.015 0.000 1.272 689 Y HN 0.779 nan 8.280 nan 0.000 0.477 690 E N 2.085 122.390 120.200 0.175 0.000 2.186 690 E HA 0.202 4.552 4.350 -0.000 0.000 0.255 690 E C -1.434 175.194 176.600 0.048 0.000 0.881 690 E CA -0.807 55.641 56.400 0.081 0.000 0.752 690 E CB 0.655 30.378 29.700 0.038 0.000 1.176 690 E HN 0.577 nan 8.360 nan 0.000 0.421 691 D N 3.593 124.008 120.400 0.026 0.000 2.506 691 D HA 0.085 4.725 4.640 -0.000 0.000 0.234 691 D C -0.046 176.211 176.300 -0.073 0.000 1.143 691 D CA 0.713 54.700 54.000 -0.022 0.000 0.871 691 D CB 0.765 41.554 40.800 -0.019 0.000 1.190 691 D HN 0.421 nan 8.370 nan 0.000 0.459 692 L N 2.567 123.698 121.223 -0.153 0.000 2.341 692 L HA 0.365 4.704 4.340 -0.000 0.000 0.267 692 L C -2.224 174.577 176.870 -0.115 0.000 1.009 692 L CA -2.131 52.557 54.840 -0.254 0.000 0.819 692 L CB 1.855 43.514 42.059 -0.666 0.000 1.323 692 L HN 0.078 nan 8.230 nan 0.000 0.425 693 P HA 0.042 nan 4.420 nan 0.000 0.261 693 P C -1.031 176.376 177.300 0.177 0.000 1.173 693 P CA 0.133 63.262 63.100 0.047 0.000 0.760 693 P CB 0.555 32.276 31.700 0.036 0.000 0.783 694 A N 3.975 126.860 122.820 0.109 0.000 2.340 694 A HA 0.701 5.020 4.320 -0.000 0.000 0.331 694 A C -0.468 177.123 177.584 0.012 0.000 1.140 694 A CA -0.739 51.358 52.037 0.100 0.000 0.801 694 A CB 0.736 19.780 19.000 0.074 0.000 1.234 694 A HN 0.483 nan 8.150 nan 0.000 0.469 695 I N 3.255 123.800 120.570 -0.042 0.000 2.382 695 I HA 0.246 4.416 4.170 -0.000 0.000 0.286 695 I C -0.159 175.906 176.117 -0.086 0.000 1.002 695 I CA -0.328 60.923 61.300 -0.081 0.000 1.135 695 I CB 1.375 39.299 38.000 -0.127 0.000 1.288 695 I HN 0.570 nan 8.210 nan 0.000 0.448 696 I N 2.844 123.367 120.570 -0.078 0.000 3.366 696 I HA 0.056 4.226 4.170 -0.000 0.000 0.267 696 I C 1.426 177.484 176.117 -0.100 0.000 1.149 696 I CA 0.899 62.148 61.300 -0.086 0.000 1.436 696 I CB -0.422 37.539 38.000 -0.066 0.000 1.379 696 I HN 0.501 nan 8.210 nan 0.000 0.460 697 T N -1.012 113.491 114.554 -0.084 0.000 2.881 697 T HA 0.485 4.835 4.350 -0.000 0.000 0.278 697 T C 1.507 176.171 174.700 -0.061 0.000 0.982 697 T CA -0.446 61.610 62.100 -0.073 0.000 0.989 697 T CB 1.722 70.548 68.868 -0.071 0.000 1.058 697 T HN 0.049 nan 8.240 nan 0.000 0.529 698 I N 0.440 120.999 120.570 -0.019 0.000 2.151 698 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 698 I C 2.932 178.999 176.117 -0.084 0.000 1.080 698 I CA 1.703 62.999 61.300 -0.006 0.000 1.339 698 I CB -0.385 37.655 38.000 0.067 0.000 1.039 698 I HN 0.699 nan 8.210 nan 0.000 0.409 699 Q N 1.029 120.772 119.800 -0.095 0.000 2.084 699 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 699 Q C 1.672 177.602 176.000 -0.115 0.000 0.978 699 Q CA 1.809 57.539 55.803 -0.122 0.000 0.844 699 Q CB -0.200 28.475 28.738 -0.105 0.000 0.898 699 Q HN 0.418 nan 8.270 nan 0.000 0.426 700 D N -0.192 120.146 120.400 -0.103 0.000 2.123 700 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 700 D C 1.610 177.819 176.300 -0.153 0.000 0.992 700 D CA 1.633 55.568 54.000 -0.108 0.000 0.833 700 D CB -0.412 40.331 40.800 -0.094 0.000 0.954 700 D HN 0.413 nan 8.370 nan 0.000 0.455 701 A N 0.677 123.389 122.820 -0.180 0.000 1.902 701 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 701 A C 2.415 179.750 177.584 -0.415 0.000 1.181 701 A CA 0.845 52.697 52.037 -0.308 0.000 0.623 701 A CB -0.686 18.150 19.000 -0.272 0.000 0.818 701 A HN 0.185 nan 8.150 nan 0.000 0.443 702 I N 0.183 120.622 120.570 -0.219 0.000 2.179 702 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 702 I C 1.907 177.970 176.117 -0.090 0.000 1.088 702 I CA 1.265 62.522 61.300 -0.071 0.000 1.357 702 I CB -0.460 37.471 38.000 -0.114 0.000 1.051 702 I HN 0.299 nan 8.210 nan 0.000 0.409 703 N N 0.937 119.570 118.700 -0.112 0.000 2.289 703 N HA -0.143 4.596 4.740 -0.000 0.000 0.184 703 N C 1.149 176.602 175.510 -0.095 0.000 1.016 703 N CA 1.077 54.077 53.050 -0.083 0.000 0.872 703 N CB -0.391 38.048 38.487 -0.080 0.000 0.973 703 N HN 0.454 nan 8.380 nan 0.000 0.433 704 N N 0.511 119.117 118.700 -0.156 0.000 2.205 704 N HA -0.018 4.722 4.740 -0.000 0.000 0.201 704 N C -0.333 175.050 175.510 -0.213 0.000 1.128 704 N CA -0.030 52.924 53.050 -0.159 0.000 0.867 704 N CB 0.229 38.619 38.487 -0.162 0.000 0.996 704 N HN 0.106 nan 8.380 nan 0.000 0.503 705 N N 0.957 119.488 118.700 -0.282 0.000 2.740 705 N HA -0.192 4.547 4.740 -0.000 0.000 0.248 705 N C -1.189 173.994 175.510 -0.546 0.000 1.062 705 N CA 0.368 53.251 53.050 -0.278 0.000 0.704 705 N CB -1.370 37.113 38.487 -0.007 0.000 0.968 705 N HN 0.027 nan 8.380 nan 0.000 0.547 706 S N 1.056 116.204 115.700 -0.919 0.000 2.474 706 S HA 0.687 5.157 4.470 -0.000 0.000 0.320 706 S C -0.759 173.318 174.600 -0.873 0.000 1.067 706 S CA -0.515 57.275 58.200 -0.682 0.000 1.127 706 S CB -0.140 62.778 63.200 -0.470 0.000 0.971 706 S HN 0.297 nan 8.310 nan 0.000 0.472 707 F N 2.332 122.161 119.950 -0.201 0.000 2.629 707 F HA 0.446 4.973 4.527 -0.000 0.000 0.316 707 F C -0.833 174.773 175.800 -0.323 0.000 1.081 707 F CA -1.261 56.620 58.000 -0.198 0.000 0.954 707 F CB 1.348 40.305 39.000 -0.073 0.000 1.337 707 F HN 0.341 nan 8.300 nan 0.000 0.474 708 Y N 1.570 121.968 120.300 0.163 0.000 2.535 708 Y HA 0.476 5.026 4.550 -0.000 0.000 0.349 708 Y C 0.770 176.661 175.900 -0.015 0.000 0.992 708 Y CA 0.188 58.304 58.100 0.027 0.000 1.248 708 Y CB 0.552 38.992 38.460 -0.033 0.000 1.124 708 Y HN 0.831 nan 8.280 nan 0.000 0.520 709 G N 1.797 110.653 108.800 0.094 0.000 2.698 709 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.233 709 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.233 709 G C -0.187 174.701 174.900 -0.020 0.000 1.352 709 G CA -0.467 44.641 45.100 0.014 0.000 0.879 709 G HN 0.874 nan 8.290 nan 0.000 0.567 710 S N -0.877 114.780 115.700 -0.072 0.000 2.707 710 S HA 0.618 5.088 4.470 -0.000 0.000 0.276 710 S C 0.353 174.844 174.600 -0.181 0.000 1.179 710 S CA 0.419 58.554 58.200 -0.109 0.000 0.992 710 S CB 1.727 64.876 63.200 -0.084 0.000 1.030 710 S HN 1.085 nan 8.310 nan 0.000 0.554 711 E N -0.035 120.042 120.200 -0.206 0.000 2.452 711 E HA 0.116 4.465 4.350 -0.000 0.000 0.261 711 E C -0.779 175.691 176.600 -0.216 0.000 0.987 711 E CA -0.028 56.230 56.400 -0.238 0.000 0.926 711 E CB 0.202 29.782 29.700 -0.201 0.000 0.934 711 E HN 0.520 nan 8.360 nan 0.000 0.452 712 I N 4.292 124.708 120.570 -0.256 0.000 2.437 712 I HA 0.344 4.513 4.170 -0.000 0.000 0.298 712 I C 0.103 176.131 176.117 -0.148 0.000 0.984 712 I CA -0.495 60.628 61.300 -0.294 0.000 1.214 712 I CB 1.463 39.202 38.000 -0.437 0.000 1.365 712 I HN 0.417 nan 8.210 nan 0.000 0.469 713 K N 6.573 126.961 120.400 -0.020 0.000 2.525 713 K HA 0.650 4.969 4.320 -0.000 0.000 0.254 713 K C -1.828 174.922 176.600 0.251 0.000 0.934 713 K CA -0.544 55.801 56.287 0.096 0.000 0.802 713 K CB 2.186 34.719 32.500 0.057 0.000 1.295 713 K HN 0.570 nan 8.250 nan 0.000 0.433 714 I N 4.132 124.841 120.570 0.233 0.000 2.447 714 I HA 0.287 4.457 4.170 -0.000 0.000 0.287 714 I C -0.804 175.446 176.117 0.222 0.000 1.023 714 I CA -0.595 60.862 61.300 0.263 0.000 1.083 714 I CB 1.927 40.105 38.000 0.295 0.000 1.245 714 I HN 0.679 nan 8.210 nan 0.000 0.434 715 E N 6.381 126.691 120.200 0.183 0.000 2.314 715 E HA 0.680 5.029 4.350 -0.000 0.000 0.272 715 E C -1.490 175.184 176.600 0.123 0.000 0.884 715 E CA -1.149 55.335 56.400 0.141 0.000 0.753 715 E CB 3.305 33.068 29.700 0.104 0.000 1.213 715 E HN 0.442 nan 8.360 nan 0.000 0.432 716 K N 1.626 122.087 120.400 0.102 0.000 2.523 716 K HA 0.558 4.878 4.320 -0.000 0.000 0.257 716 K C -0.108 176.514 176.600 0.038 0.000 0.932 716 K CA 0.229 56.562 56.287 0.077 0.000 0.812 716 K CB 1.875 34.437 32.500 0.103 0.000 1.326 716 K HN 0.921 nan 8.250 nan 0.000 0.433 717 G N 2.111 110.923 108.800 0.021 0.000 2.542 717 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.235 717 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.235 717 G C -1.361 173.536 174.900 -0.005 0.000 1.286 717 G CA 0.179 45.277 45.100 -0.003 0.000 0.904 717 G HN 0.722 nan 8.290 nan 0.000 0.577 718 D N 0.050 120.435 120.400 -0.024 0.000 2.402 718 D HA 0.483 5.123 4.640 -0.000 0.000 0.252 718 D C 1.497 177.776 176.300 -0.035 0.000 1.294 718 D CA -0.530 53.460 54.000 -0.015 0.000 0.948 718 D CB 0.688 41.480 40.800 -0.012 0.000 1.202 718 D HN 0.364 nan 8.370 nan 0.000 0.561 719 L N 2.776 123.991 121.223 -0.014 0.000 2.056 719 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 719 L C 2.202 179.104 176.870 0.053 0.000 1.078 719 L CA 0.946 55.768 54.840 -0.031 0.000 0.749 719 L CB 0.011 42.126 42.059 0.094 0.000 0.901 719 L HN 0.347 nan 8.230 nan 0.000 0.433 720 K N 0.067 120.524 120.400 0.095 0.000 2.032 720 K HA -0.265 4.054 4.320 -0.000 0.000 0.209 720 K C 2.117 178.764 176.600 0.079 0.000 1.048 720 K CA 1.668 58.026 56.287 0.118 0.000 0.927 720 K CB -0.111 32.431 32.500 0.070 0.000 0.712 720 K HN 0.129 nan 8.250 nan 0.000 0.441 721 K N 0.451 120.866 120.400 0.025 0.000 2.026 721 K HA -0.144 4.175 4.320 -0.000 0.000 0.208 721 K C 2.180 178.762 176.600 -0.030 0.000 1.048 721 K CA 1.764 58.050 56.287 -0.001 0.000 0.929 721 K CB -0.409 32.082 32.500 -0.014 0.000 0.713 721 K HN 0.225 nan 8.250 nan 0.000 0.439 722 G N 0.100 108.843 108.800 -0.095 0.000 2.446 722 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 722 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 722 G C 1.331 176.121 174.900 -0.183 0.000 1.168 722 G CA 0.931 45.915 45.100 -0.193 0.000 0.771 722 G HN 0.333 nan 8.290 nan 0.000 0.551 723 F N 1.075 121.000 119.950 -0.041 0.000 2.186 723 F HA -0.016 4.511 4.527 -0.000 0.000 0.299 723 F C 3.132 178.899 175.800 -0.055 0.000 1.090 723 F CA 1.004 58.973 58.000 -0.051 0.000 1.307 723 F CB 0.001 38.974 39.000 -0.045 0.000 1.019 723 F HN 0.079 nan 8.300 nan 0.000 0.489 724 S N -0.185 115.588 115.700 0.121 0.000 2.370 724 S HA -0.216 4.254 4.470 -0.000 0.000 0.226 724 S C 1.692 176.303 174.600 0.019 0.000 1.033 724 S CA 1.477 59.709 58.200 0.054 0.000 1.011 724 S CB -0.312 62.907 63.200 0.031 0.000 0.852 724 S HN 0.427 nan 8.310 nan 0.000 0.457 725 E N 0.686 120.886 120.200 -0.000 0.000 2.478 725 E HA 0.247 4.597 4.350 -0.000 0.000 0.194 725 E C 0.538 177.115 176.600 -0.038 0.000 1.045 725 E CA -0.078 56.309 56.400 -0.023 0.000 0.868 725 E CB 0.124 29.805 29.700 -0.032 0.000 0.885 725 E HN 0.430 nan 8.360 nan 0.000 0.505 726 A N 1.297 124.094 122.820 -0.039 0.000 2.425 726 A HA -0.014 4.306 4.320 -0.000 0.000 0.242 726 A C 0.554 178.074 177.584 -0.106 0.000 1.077 726 A CA -0.229 51.761 52.037 -0.078 0.000 0.781 726 A CB 0.369 19.326 19.000 -0.072 0.000 1.020 726 A HN -0.024 nan 8.150 nan 0.000 0.494 727 D N 0.236 120.546 120.400 -0.151 0.000 2.194 727 D HA 0.005 4.645 4.640 -0.000 0.000 0.204 727 D C -0.022 176.127 176.300 -0.252 0.000 0.964 727 D CA 1.247 55.151 54.000 -0.161 0.000 0.846 727 D CB 0.103 40.823 40.800 -0.133 0.000 0.962 727 D HN 0.557 nan 8.370 nan 0.000 0.490 728 N N -0.439 117.972 118.700 -0.483 0.000 2.329 728 N HA 0.345 5.085 4.740 -0.000 0.000 0.282 728 N C -1.303 173.836 175.510 -0.618 0.000 1.198 728 N CA -0.431 52.243 53.050 -0.627 0.000 0.790 728 N CB 3.292 41.078 38.487 -1.169 0.000 1.579 728 N HN -0.272 nan 8.380 nan 0.000 0.475 729 V N 1.274 121.022 119.914 -0.276 0.000 2.709 729 V HA 0.543 4.662 4.120 -0.000 0.000 0.308 729 V C -0.596 175.555 176.094 0.095 0.000 1.062 729 V CA -0.653 61.620 62.300 -0.045 0.000 0.901 729 V CB 2.369 34.176 31.823 -0.027 0.000 1.003 729 V HN 0.374 nan 8.190 nan 0.000 0.425 730 V N 3.648 123.733 119.914 0.285 0.000 2.638 730 V HA 0.707 4.827 4.120 -0.000 0.000 0.306 730 V C -0.127 176.102 176.094 0.226 0.000 1.052 730 V CA -0.366 62.112 62.300 0.296 0.000 0.885 730 V CB 2.323 34.419 31.823 0.455 0.000 0.999 730 V HN 1.009 nan 8.190 nan 0.000 0.424 731 S N 3.026 118.770 115.700 0.075 0.000 2.638 731 S HA 1.034 5.504 4.470 -0.000 0.000 0.302 731 S C -0.187 174.216 174.600 -0.328 0.000 1.096 731 S CA -0.040 58.078 58.200 -0.136 0.000 0.953 731 S CB 2.417 65.529 63.200 -0.146 0.000 1.107 731 S HN 1.507 nan 8.310 nan 0.000 0.503 732 G N 0.011 108.263 108.800 -0.912 0.000 2.428 732 G HA2 0.559 4.519 3.960 -0.000 0.000 0.304 732 G HA3 0.559 4.519 3.960 -0.000 0.000 0.304 732 G C -2.148 172.321 174.900 -0.718 0.000 1.303 732 G CA -0.759 43.938 45.100 -0.671 0.000 0.825 732 G HN 0.749 nan 8.290 nan 0.000 0.484 733 E N -1.296 118.788 120.200 -0.192 0.000 2.367 733 E HA 0.628 4.978 4.350 -0.000 0.000 0.273 733 E C -1.805 174.878 176.600 0.138 0.000 0.903 733 E CA -0.755 55.650 56.400 0.008 0.000 0.764 733 E CB 3.087 32.799 29.700 0.020 0.000 1.252 733 E HN 0.420 nan 8.360 nan 0.000 0.446 734 L N 2.164 123.480 121.223 0.154 0.000 2.445 734 L HA 0.486 4.826 4.340 -0.000 0.000 0.262 734 L C -2.014 174.940 176.870 0.140 0.000 0.974 734 L CA -0.620 54.234 54.840 0.024 0.000 0.822 734 L CB 1.583 43.538 42.059 -0.175 0.000 1.339 734 L HN 0.575 nan 8.230 nan 0.000 0.409 735 Y N 4.912 125.223 120.300 0.019 0.000 2.393 735 Y HA 0.780 5.330 4.550 -0.000 0.000 0.341 735 Y C -1.059 174.881 175.900 0.067 0.000 0.988 735 Y CA -0.877 57.268 58.100 0.075 0.000 1.078 735 Y CB 1.500 40.001 38.460 0.068 0.000 1.203 735 Y HN 0.518 nan 8.280 nan 0.000 0.453 736 I N 6.047 126.249 120.570 -0.614 0.000 2.439 736 I HA 0.389 4.559 4.170 -0.000 0.000 0.283 736 I C 0.571 176.362 176.117 -0.544 0.000 1.023 736 I CA -0.903 60.187 61.300 -0.350 0.000 1.100 736 I CB 1.490 39.395 38.000 -0.158 0.000 1.238 736 I HN 0.863 nan 8.210 nan 0.000 0.445 737 G N 3.830 112.485 108.800 -0.242 0.000 2.664 737 G HA2 0.387 4.347 3.960 -0.000 0.000 0.242 737 G HA3 0.387 4.347 3.960 -0.000 0.000 0.242 737 G C 0.562 175.430 174.900 -0.054 0.000 1.225 737 G CA 0.062 45.128 45.100 -0.056 0.000 0.849 737 G HN 0.711 nan 8.290 nan 0.000 0.581 738 G N -1.418 107.399 108.800 0.028 0.000 2.514 738 G HA2 0.498 4.458 3.960 -0.000 0.000 0.245 738 G HA3 0.498 4.458 3.960 -0.000 0.000 0.245 738 G C -0.190 174.692 174.900 -0.030 0.000 1.488 738 G CA -0.162 44.943 45.100 0.009 0.000 1.063 738 G HN 0.739 nan 8.290 nan 0.000 0.557 739 Q N -1.449 118.339 119.800 -0.019 0.000 2.443 739 Q HA 0.289 4.629 4.340 -0.000 0.000 0.258 739 Q C -1.877 174.190 176.000 0.112 0.000 0.967 739 Q CA -0.647 55.151 55.803 -0.009 0.000 0.951 739 Q CB 2.126 30.592 28.738 -0.453 0.000 1.459 739 Q HN 0.549 nan 8.270 nan 0.000 0.415 740 E N 1.091 121.337 120.200 0.077 0.000 2.249 740 E HA 0.214 4.564 4.350 -0.000 0.000 0.280 740 E C -0.254 176.424 176.600 0.130 0.000 1.016 740 E CA 0.251 56.601 56.400 -0.083 0.000 0.830 740 E CB 0.773 30.154 29.700 -0.533 0.000 1.081 740 E HN 0.663 nan 8.360 nan 0.000 0.395 741 H N 3.932 122.933 119.070 -0.115 0.000 2.387 741 H HA 0.024 4.579 4.556 -0.000 0.000 0.299 741 H C 0.102 175.273 175.328 -0.261 0.000 1.090 741 H CA 1.342 57.100 56.048 -0.483 0.000 1.332 741 H CB -0.326 29.038 29.762 -0.664 0.000 1.386 741 H HN 0.680 nan 8.280 nan 0.000 0.516 742 F N 0.514 120.208 119.950 -0.426 0.000 3.067 742 F HA -0.285 4.241 4.527 -0.000 0.000 0.279 742 F C -0.579 175.145 175.800 -0.126 0.000 0.945 742 F CA -0.407 57.440 58.000 -0.255 0.000 0.948 742 F CB -1.805 37.210 39.000 0.025 0.000 0.898 742 F HN 0.223 nan 8.300 nan 0.000 0.746 743 Y N -0.840 119.608 120.300 0.247 0.000 2.712 743 Y HA 0.096 4.646 4.550 -0.000 0.000 0.333 743 Y C 1.113 177.024 175.900 0.018 0.000 1.225 743 Y CA -0.891 57.371 58.100 0.271 0.000 1.499 743 Y CB 0.173 38.692 38.460 0.098 0.000 1.288 743 Y HN 0.132 nan 8.280 nan 0.000 0.575 744 L N 1.564 122.942 121.223 0.259 0.000 2.217 744 L HA -0.021 4.318 4.340 -0.000 0.000 0.211 744 L C 0.992 177.792 176.870 -0.116 0.000 1.107 744 L CA 1.255 56.214 54.840 0.198 0.000 0.783 744 L CB -0.659 41.636 42.059 0.394 0.000 0.919 744 L HN 0.861 nan 8.230 nan 0.000 0.442 745 E N 0.755 120.593 120.200 -0.603 0.000 2.167 745 E HA 0.156 4.506 4.350 -0.000 0.000 0.284 745 E C -0.113 176.275 176.600 -0.353 0.000 1.016 745 E CA -0.298 55.461 56.400 -1.069 0.000 0.817 745 E CB 1.012 29.834 29.700 -1.463 0.000 1.080 745 E HN 0.227 nan 8.360 nan 0.000 0.397 746 T N 2.095 116.537 114.554 -0.188 0.000 2.732 746 T HA 0.167 4.517 4.350 -0.000 0.000 0.287 746 T C 0.679 175.240 174.700 -0.231 0.000 0.993 746 T CA -0.837 61.226 62.100 -0.061 0.000 0.966 746 T CB 0.434 69.318 68.868 0.026 0.000 1.047 746 T HN 0.390 nan 8.240 nan 0.000 0.527 747 N N -0.204 118.370 118.700 -0.210 0.000 2.454 747 N HA 0.249 4.989 4.740 -0.000 0.000 0.254 747 N C -0.738 174.719 175.510 -0.088 0.000 1.228 747 N CA 0.083 53.015 53.050 -0.196 0.000 0.900 747 N CB 0.603 39.015 38.487 -0.125 0.000 1.089 747 N HN 0.745 nan 8.380 nan 0.000 0.449 748 C N 1.346 120.603 119.300 -0.073 0.000 2.931 748 C HA 0.475 4.935 4.460 -0.000 0.000 0.370 748 C C -0.841 174.156 174.990 0.012 0.000 1.071 748 C CA -0.311 58.700 59.018 -0.011 0.000 1.266 748 C CB 1.009 28.744 27.740 -0.009 0.000 1.691 748 C HN 0.704 nan 8.230 nan 0.000 0.511 749 T N 5.896 120.477 114.554 0.045 0.000 2.916 749 T HA 0.603 4.953 4.350 -0.000 0.000 0.298 749 T C -0.964 173.799 174.700 0.105 0.000 1.031 749 T CA -0.214 61.929 62.100 0.070 0.000 0.993 749 T CB 1.217 70.116 68.868 0.052 0.000 1.045 749 T HN 0.576 nan 8.240 nan 0.000 0.454 750 I N 2.389 123.058 120.570 0.164 0.000 2.404 750 I HA 0.689 4.859 4.170 -0.000 0.000 0.293 750 I C 0.056 176.312 176.117 0.233 0.000 0.992 750 I CA -0.836 60.583 61.300 0.198 0.000 1.149 750 I CB 1.574 39.712 38.000 0.231 0.000 1.315 750 I HN 0.678 nan 8.210 nan 0.000 0.446 751 A N 6.303 129.227 122.820 0.173 0.000 2.331 751 A HA 0.789 5.109 4.320 -0.000 0.000 0.320 751 A C -0.867 176.806 177.584 0.149 0.000 1.138 751 A CA -0.501 51.620 52.037 0.139 0.000 0.790 751 A CB 1.332 20.384 19.000 0.087 0.000 1.206 751 A HN 0.440 nan 8.150 nan 0.000 0.470 752 V N 5.372 125.375 119.914 0.149 0.000 2.349 752 V HA 0.387 4.507 4.120 -0.000 0.000 0.284 752 V C -2.312 173.809 176.094 0.044 0.000 1.014 752 V CA -1.523 60.847 62.300 0.117 0.000 0.826 752 V CB 1.486 33.444 31.823 0.225 0.000 1.009 752 V HN 0.836 nan 8.190 nan 0.000 0.431 753 P HA 0.304 nan 4.420 nan 0.000 0.275 753 P C -0.191 177.098 177.300 -0.018 0.000 1.227 753 P CA -0.408 62.698 63.100 0.010 0.000 0.781 753 P CB 1.430 33.135 31.700 0.008 0.000 0.906 754 K N 1.351 121.748 120.400 -0.005 0.000 2.353 754 K HA 0.189 4.509 4.320 -0.000 0.000 0.195 754 K C 1.434 178.025 176.600 -0.015 0.000 1.031 754 K CA 0.542 56.820 56.287 -0.015 0.000 1.079 754 K CB -0.423 32.075 32.500 -0.003 0.000 0.857 754 K HN 0.837 nan 8.250 nan 0.000 0.535 755 G N 1.600 110.396 108.800 -0.006 0.000 2.179 755 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 755 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 755 G C -0.199 174.702 174.900 0.002 0.000 0.977 755 G CA 0.123 45.218 45.100 -0.008 0.000 0.641 755 G HN 0.370 nan 8.290 nan 0.000 0.533 756 E N -0.622 119.582 120.200 0.006 0.000 2.218 756 E HA 0.571 4.921 4.350 -0.000 0.000 0.263 756 E C 0.665 177.272 176.600 0.010 0.000 0.879 756 E CA -0.368 56.036 56.400 0.007 0.000 0.762 756 E CB 1.533 31.234 29.700 0.002 0.000 1.166 756 E HN 1.497 nan 8.360 nan 0.000 0.415 757 A N 2.979 125.806 122.820 0.012 0.000 2.826 757 A HA -0.231 4.088 4.320 -0.000 0.000 0.274 757 A C 1.323 178.913 177.584 0.010 0.000 1.443 757 A CA 1.219 53.261 52.037 0.009 0.000 0.833 757 A CB -2.275 16.726 19.000 0.002 0.000 1.023 757 A HN 1.410 nan 8.150 nan 0.000 0.600 758 G N -1.975 106.840 108.800 0.025 0.000 2.168 758 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.263 758 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.263 758 G C -0.087 174.821 174.900 0.013 0.000 0.977 758 G CA 0.994 46.108 45.100 0.024 0.000 0.659 758 G HN 1.237 nan 8.290 nan 0.000 0.533 759 E N -0.396 119.811 120.200 0.011 0.000 2.392 759 E HA 0.556 4.906 4.350 -0.000 0.000 0.264 759 E C 0.369 176.972 176.600 0.006 0.000 1.024 759 E CA 0.336 56.737 56.400 0.001 0.000 0.903 759 E CB 0.737 30.436 29.700 -0.001 0.000 0.963 759 E HN 0.446 nan 8.360 nan 0.000 0.432 760 M N 2.239 121.835 119.600 -0.007 0.000 2.414 760 M HA 0.230 4.710 4.480 -0.000 0.000 0.287 760 M C -1.813 174.467 176.300 -0.034 0.000 1.181 760 M CA -0.431 54.867 55.300 -0.003 0.000 0.933 760 M CB 2.151 34.755 32.600 0.007 0.000 1.732 760 M HN 0.465 nan 8.290 nan 0.000 0.486 761 E N 3.112 123.291 120.200 -0.036 0.000 2.183 761 E HA 0.698 5.047 4.350 -0.000 0.000 0.271 761 E C -2.008 174.493 176.600 -0.166 0.000 0.919 761 E CA -0.634 55.683 56.400 -0.138 0.000 0.781 761 E CB 1.705 31.332 29.700 -0.122 0.000 1.140 761 E HN 0.611 nan 8.360 nan 0.000 0.402 762 L N 4.038 125.089 121.223 -0.286 0.000 2.386 762 L HA 0.477 4.816 4.340 -0.000 0.000 0.271 762 L C -1.215 175.418 176.870 -0.394 0.000 0.993 762 L CA -0.389 54.344 54.840 -0.179 0.000 0.819 762 L CB 1.328 43.336 42.059 -0.084 0.000 1.294 762 L HN 0.530 nan 8.230 nan 0.000 0.414 763 F N 2.757 122.719 119.950 0.019 0.000 2.411 763 F HA 0.703 5.229 4.527 -0.001 0.000 0.352 763 F C -0.104 175.696 175.800 -0.001 0.000 1.123 763 F CA -0.782 57.224 58.000 0.011 0.000 1.044 763 F CB 1.598 40.613 39.000 0.024 0.000 1.135 763 F HN 0.009 nan 8.300 nan 0.000 0.461 764 V N 1.674 121.640 119.914 0.088 0.000 2.841 764 V HA 0.324 4.444 4.120 -0.000 0.000 0.310 764 V C -0.392 175.699 176.094 -0.004 0.000 1.090 764 V CA -1.036 61.280 62.300 0.026 0.000 0.930 764 V CB 2.233 34.039 31.823 -0.028 0.000 1.014 764 V HN 0.656 nan 8.190 nan 0.000 0.425 765 S N 2.748 118.424 115.700 -0.040 0.000 3.036 765 S HA 0.441 4.911 4.470 -0.000 0.000 0.301 765 S C -0.149 174.361 174.600 -0.150 0.000 1.205 765 S CA -0.009 58.133 58.200 -0.096 0.000 0.999 765 S CB -0.345 62.776 63.200 -0.132 0.000 1.337 765 S HN 0.954 nan 8.310 nan 0.000 0.515 766 T N 3.034 117.514 114.554 -0.123 0.000 2.903 766 T HA 0.360 4.710 4.350 -0.000 0.000 0.299 766 T C 0.446 175.073 174.700 -0.122 0.000 1.093 766 T CA -0.538 61.480 62.100 -0.136 0.000 1.002 766 T CB 1.708 70.508 68.868 -0.113 0.000 1.127 766 T HN 0.542 nan 8.240 nan 0.000 0.488 767 Q N 1.612 121.338 119.800 -0.123 0.000 2.425 767 Q HA 0.204 4.544 4.340 -0.000 0.000 0.204 767 Q C 0.123 176.080 176.000 -0.071 0.000 0.933 767 Q CA 0.155 55.902 55.803 -0.092 0.000 0.939 767 Q CB 0.278 28.967 28.738 -0.082 0.000 1.044 767 Q HN 0.318 nan 8.270 nan 0.000 0.513 768 N N 0.309 118.954 118.700 -0.093 0.000 2.762 768 N HA 0.028 4.768 4.740 -0.000 0.000 0.252 768 N C 0.360 175.790 175.510 -0.134 0.000 1.269 768 N CA 0.068 53.053 53.050 -0.108 0.000 0.799 768 N CB 0.970 39.381 38.487 -0.126 0.000 1.173 768 N HN 0.096 nan 8.380 nan 0.000 0.516 769 T N -0.343 114.144 114.554 -0.110 0.000 2.833 769 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 769 T C 1.806 176.423 174.700 -0.139 0.000 1.054 769 T CA 0.834 62.864 62.100 -0.116 0.000 1.135 769 T CB 0.021 68.832 68.868 -0.095 0.000 0.869 769 T HN 0.427 nan 8.240 nan 0.000 0.466 770 M N 0.231 119.747 119.600 -0.140 0.000 2.123 770 M HA -0.006 4.474 4.480 -0.000 0.000 0.263 770 M C 2.052 178.213 176.300 -0.231 0.000 1.069 770 M CA 1.450 56.661 55.300 -0.148 0.000 1.133 770 M CB -0.070 32.458 32.600 -0.119 0.000 1.356 770 M HN -0.001 nan 8.290 nan 0.000 0.415 771 K N -0.292 119.908 120.400 -0.333 0.000 2.217 771 K HA -0.027 4.293 4.320 -0.000 0.000 0.202 771 K C 1.855 178.035 176.600 -0.700 0.000 1.051 771 K CA 1.582 57.470 56.287 -0.665 0.000 0.952 771 K CB -0.685 31.304 32.500 -0.851 0.000 0.736 771 K HN 0.413 nan 8.250 nan 0.000 0.453 772 T N 1.775 116.105 114.554 -0.375 0.000 2.708 772 T HA -0.199 4.151 4.350 -0.000 0.000 0.266 772 T C 1.939 176.557 174.700 -0.137 0.000 1.037 772 T CA 1.472 63.446 62.100 -0.211 0.000 1.146 772 T CB -0.081 68.704 68.868 -0.139 0.000 0.865 772 T HN 0.357 nan 8.240 nan 0.000 0.435 773 Q N 0.574 120.290 119.800 -0.140 0.000 2.030 773 Q HA -0.134 4.205 4.340 -0.000 0.000 0.204 773 Q C 2.514 178.479 176.000 -0.059 0.000 0.986 773 Q CA 1.746 57.495 55.803 -0.090 0.000 0.843 773 Q CB -0.227 28.454 28.738 -0.094 0.000 0.904 773 Q HN 0.386 nan 8.270 nan 0.000 0.420 774 S N 0.094 115.739 115.700 -0.091 0.000 2.370 774 S HA -0.117 4.353 4.470 -0.000 0.000 0.226 774 S C 1.547 176.244 174.600 0.162 0.000 1.033 774 S CA 1.158 59.356 58.200 -0.002 0.000 1.011 774 S CB -0.286 62.885 63.200 -0.049 0.000 0.852 774 S HN 0.376 nan 8.310 nan 0.000 0.457 775 F N 0.934 120.846 119.950 -0.063 0.000 2.206 775 F HA 0.063 4.590 4.527 -0.001 0.000 0.298 775 F C 2.363 178.121 175.800 -0.071 0.000 1.090 775 F CA -0.336 57.624 58.000 -0.067 0.000 1.323 775 F CB -1.348 37.611 39.000 -0.067 0.000 1.028 775 F HN 0.018 nan 8.300 nan 0.000 0.492 776 V N 0.117 120.104 119.914 0.123 0.000 2.307 776 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 776 V C 2.659 178.757 176.094 0.005 0.000 1.045 776 V CA 1.720 64.042 62.300 0.038 0.000 1.024 776 V CB -1.264 30.563 31.823 0.008 0.000 0.651 776 V HN 0.293 nan 8.190 nan 0.000 0.449 777 A N -0.392 122.432 122.820 0.007 0.000 1.902 777 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 777 A C 2.347 179.921 177.584 -0.017 0.000 1.181 777 A CA 2.235 54.262 52.037 -0.016 0.000 0.623 777 A CB -0.481 18.510 19.000 -0.014 0.000 0.818 777 A HN 0.523 nan 8.150 nan 0.000 0.443 778 K N -1.016 119.390 120.400 0.010 0.000 2.057 778 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 778 K C 2.155 178.733 176.600 -0.037 0.000 1.050 778 K CA 1.481 57.763 56.287 -0.009 0.000 0.935 778 K CB -0.246 32.259 32.500 0.009 0.000 0.715 778 K HN 0.434 nan 8.250 nan 0.000 0.439 779 M N 1.249 120.823 119.600 -0.044 0.000 2.108 779 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 779 M C 1.765 178.020 176.300 -0.074 0.000 1.066 779 M CA 1.637 56.897 55.300 -0.066 0.000 1.107 779 M CB -0.411 32.141 32.600 -0.079 0.000 1.356 779 M HN 0.235 nan 8.290 nan 0.000 0.406 780 L N -0.345 120.823 121.223 -0.092 0.000 2.240 780 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 780 L C 1.369 178.159 176.870 -0.134 0.000 1.106 780 L CA 0.653 55.396 54.840 -0.163 0.000 0.793 780 L CB -0.785 41.153 42.059 -0.201 0.000 0.927 780 L HN 0.645 nan 8.230 nan 0.000 0.446 781 G N 1.056 109.807 108.800 -0.082 0.000 2.225 781 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.264 781 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.264 781 G C 0.004 174.869 174.900 -0.058 0.000 1.060 781 G CA 0.245 45.310 45.100 -0.059 0.000 0.833 781 G HN 0.292 nan 8.290 nan 0.000 0.498 782 V N -3.528 116.350 119.914 -0.060 0.000 3.019 782 V HA 0.974 5.094 4.120 -0.000 0.000 0.317 782 V C -2.030 174.043 176.094 -0.035 0.000 1.094 782 V CA -2.847 59.425 62.300 -0.047 0.000 1.000 782 V CB 1.968 33.759 31.823 -0.054 0.000 1.060 782 V HN 0.059 nan 8.190 nan 0.000 0.443 783 P HA 0.291 nan 4.420 nan 0.000 0.272 783 P C -0.030 177.253 177.300 -0.028 0.000 1.230 783 P CA -0.106 62.978 63.100 -0.026 0.000 0.788 783 P CB 0.487 32.173 31.700 -0.023 0.000 0.949 784 D N 0.855 121.238 120.400 -0.028 0.000 2.221 784 D HA -0.152 4.488 4.640 -0.000 0.000 0.204 784 D C 1.285 177.565 176.300 -0.033 0.000 0.982 784 D CA 1.238 55.219 54.000 -0.032 0.000 0.857 784 D CB -0.585 40.194 40.800 -0.035 0.000 0.934 784 D HN 0.488 nan 8.370 nan 0.000 0.475 785 N N 0.623 119.305 118.700 -0.029 0.000 2.573 785 N HA -0.141 4.598 4.740 -0.000 0.000 0.187 785 N C 1.180 176.674 175.510 -0.026 0.000 1.107 785 N CA 0.580 53.614 53.050 -0.027 0.000 0.918 785 N CB -0.092 38.382 38.487 -0.023 0.000 0.966 785 N HN 0.026 nan 8.380 nan 0.000 0.448 786 R N -0.294 120.189 120.500 -0.027 0.000 2.265 786 R HA 0.263 4.603 4.340 -0.000 0.000 0.194 786 R C -0.097 176.185 176.300 -0.030 0.000 0.931 786 R CA -0.027 56.059 56.100 -0.024 0.000 1.032 786 R CB 0.378 30.664 30.300 -0.023 0.000 0.980 786 R HN 0.244 nan 8.270 nan 0.000 0.497 787 I N 1.650 122.197 120.570 -0.038 0.000 2.362 787 I HA 0.261 4.431 4.170 -0.000 0.000 0.289 787 I C -0.235 175.843 176.117 -0.064 0.000 0.994 787 I CA -1.125 60.147 61.300 -0.048 0.000 1.158 787 I CB 1.855 39.828 38.000 -0.045 0.000 1.315 787 I HN -0.360 nan 8.210 nan 0.000 0.451 788 V N 7.351 127.215 119.914 -0.084 0.000 2.417 788 V HA 0.477 4.597 4.120 -0.000 0.000 0.291 788 V C 0.010 176.007 176.094 -0.162 0.000 1.024 788 V CA -0.703 61.530 62.300 -0.111 0.000 0.861 788 V CB 2.471 34.225 31.823 -0.115 0.000 0.985 788 V HN 0.419 nan 8.190 nan 0.000 0.436 789 V N 6.266 126.088 119.914 -0.153 0.000 2.495 789 V HA 0.588 4.707 4.120 -0.000 0.000 0.298 789 V C -0.114 175.866 176.094 -0.190 0.000 1.031 789 V CA -0.737 61.456 62.300 -0.178 0.000 0.871 789 V CB 1.937 33.682 31.823 -0.130 0.000 0.988 789 V HN 0.844 nan 8.190 nan 0.000 0.432 790 R N 3.307 123.652 120.500 -0.259 0.000 2.534 790 R HA 0.774 5.114 4.340 -0.000 0.000 0.301 790 R C -1.582 174.666 176.300 -0.088 0.000 0.961 790 R CA -0.662 55.320 56.100 -0.196 0.000 0.871 790 R CB 2.449 32.572 30.300 -0.295 0.000 1.170 790 R HN 0.483 nan 8.270 nan 0.000 0.446 791 V N 3.526 123.416 119.914 -0.039 0.000 2.444 791 V HA 0.188 4.308 4.120 -0.000 0.000 0.294 791 V C 0.744 176.854 176.094 0.026 0.000 1.022 791 V CA -0.583 61.717 62.300 0.000 0.000 0.850 791 V CB 1.613 33.418 31.823 -0.029 0.000 0.992 791 V HN 0.793 nan 8.190 nan 0.000 0.426 792 K N 4.631 125.061 120.400 0.051 0.000 2.044 792 K HA 0.207 4.526 4.320 -0.000 0.000 0.204 792 K C 0.659 177.275 176.600 0.027 0.000 1.045 792 K CA 0.756 57.066 56.287 0.038 0.000 0.951 792 K CB 0.382 32.895 32.500 0.021 0.000 0.738 792 K HN 0.792 nan 8.250 nan 0.000 0.443 793 R N -0.879 119.609 120.500 -0.020 0.000 2.709 793 R HA 0.330 4.670 4.340 -0.000 0.000 0.270 793 R C -1.497 174.796 176.300 -0.013 0.000 1.038 793 R CA -0.870 55.206 56.100 -0.041 0.000 0.872 793 R CB 0.759 30.995 30.300 -0.106 0.000 1.259 793 R HN -0.079 nan 8.270 nan 0.000 0.473 794 M N 0.686 120.286 119.600 -0.001 0.000 2.508 794 M HA 0.413 4.893 4.480 -0.000 0.000 0.327 794 M C 0.568 176.935 176.300 0.111 0.000 1.160 794 M CA -0.720 54.583 55.300 0.003 0.000 0.980 794 M CB 2.385 34.906 32.600 -0.132 0.000 1.693 794 M HN 0.932 nan 8.290 nan 0.000 0.452 795 G N 1.447 110.278 108.800 0.052 0.000 3.316 795 G HA2 0.497 4.456 3.960 -0.000 0.000 0.255 795 G HA3 0.497 4.456 3.960 -0.000 0.000 0.255 795 G C 0.299 175.147 174.900 -0.087 0.000 0.880 795 G CA 0.249 45.316 45.100 -0.054 0.000 1.956 795 G HN 1.087 nan 8.290 nan 0.000 0.634 796 G N -1.241 107.488 108.800 -0.118 0.000 2.712 796 G HA2 0.380 4.340 3.960 -0.000 0.000 0.686 796 G HA3 0.380 4.340 3.960 -0.000 0.000 0.686 796 G C 0.486 175.153 174.900 -0.388 0.000 1.181 796 G CA -0.315 44.591 45.100 -0.322 0.000 0.762 796 G HN 1.227 nan 8.290 nan 0.000 0.641 797 G N -0.860 107.484 108.800 -0.760 0.000 2.675 797 G HA2 0.553 4.513 3.960 -0.000 0.000 0.202 797 G HA3 0.553 4.513 3.960 -0.000 0.000 0.202 797 G C 0.853 175.642 174.900 -0.186 0.000 1.252 797 G CA 0.844 45.715 45.100 -0.383 0.000 0.627 797 G HN 1.748 nan 8.290 nan 0.000 0.921 798 F N 0.710 120.665 119.950 0.009 0.000 3.006 798 F HA -0.198 4.329 4.527 -0.000 0.000 0.289 798 F C 1.961 177.770 175.800 0.015 0.000 0.772 798 F CA 1.031 59.034 58.000 0.004 0.000 1.162 798 F CB -1.426 37.521 39.000 -0.088 0.000 1.382 798 F HN 1.256 nan 8.300 nan 0.000 0.406 799 G N -1.023 107.820 108.800 0.072 0.000 2.259 799 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 799 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 799 G C 1.067 175.936 174.900 -0.051 0.000 1.001 799 G CA 0.043 45.219 45.100 0.127 0.000 0.627 799 G HN 1.190 nan 8.290 nan 0.000 0.501 800 G N 0.041 108.533 108.800 -0.514 0.000 2.744 800 G HA2 0.240 4.200 3.960 -0.000 0.000 0.211 800 G HA3 0.240 4.200 3.960 -0.000 0.000 0.211 800 G C 1.147 175.882 174.900 -0.275 0.000 1.143 800 G CA 1.278 45.872 45.100 -0.843 0.000 0.788 800 G HN 0.504 nan 8.290 nan 0.000 0.534 801 K N -0.218 120.040 120.400 -0.236 0.000 2.478 801 K HA 0.182 4.501 4.320 -0.000 0.000 0.205 801 K C 1.411 177.942 176.600 -0.115 0.000 1.033 801 K CA -0.141 56.017 56.287 -0.214 0.000 1.091 801 K CB 0.702 33.011 32.500 -0.318 0.000 0.844 801 K HN 0.313 nan 8.250 nan 0.000 0.507 802 E N 0.906 121.076 120.200 -0.050 0.000 2.106 802 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 802 E C 1.289 177.892 176.600 0.004 0.000 0.984 802 E CA 1.905 58.308 56.400 0.005 0.000 0.806 802 E CB 0.404 30.160 29.700 0.094 0.000 0.750 802 E HN 0.294 nan 8.360 nan 0.000 0.458 803 T N -3.173 111.402 114.554 0.034 0.000 3.048 803 T HA 0.207 4.557 4.350 -0.000 0.000 0.254 803 T C 1.561 176.301 174.700 0.065 0.000 0.942 803 T CA -0.588 61.542 62.100 0.050 0.000 0.931 803 T CB -0.017 68.928 68.868 0.127 0.000 1.220 803 T HN -0.090 nan 8.240 nan 0.000 0.503 804 R N 2.616 123.148 120.500 0.053 0.000 2.307 804 R HA 0.195 4.534 4.340 -0.000 0.000 0.199 804 R C 2.569 178.885 176.300 0.026 0.000 1.000 804 R CA 1.016 57.153 56.100 0.061 0.000 1.023 804 R CB -1.004 29.339 30.300 0.072 0.000 0.908 804 R HN 0.727 nan 8.270 nan 0.000 0.473 805 S N 0.319 116.003 115.700 -0.026 0.000 2.440 805 S HA -0.160 4.309 4.470 -0.000 0.000 0.238 805 S C 1.935 176.533 174.600 -0.003 0.000 1.010 805 S CA 1.628 59.799 58.200 -0.048 0.000 0.972 805 S CB -0.627 62.510 63.200 -0.106 0.000 0.774 805 S HN 0.455 nan 8.310 nan 0.000 0.501 806 T N 0.622 115.201 114.554 0.040 0.000 2.962 806 T HA -0.019 4.331 4.350 -0.000 0.000 0.270 806 T C 1.874 176.622 174.700 0.080 0.000 1.088 806 T CA 0.909 63.063 62.100 0.091 0.000 1.127 806 T CB -1.001 68.028 68.868 0.269 0.000 0.883 806 T HN 0.633 nan 8.240 nan 0.000 0.493 807 V N -0.152 119.799 119.914 0.061 0.000 2.594 807 V HA -0.023 4.096 4.120 -0.000 0.000 0.253 807 V C 2.334 178.444 176.094 0.027 0.000 1.069 807 V CA 1.131 63.449 62.300 0.029 0.000 1.082 807 V CB -1.142 30.708 31.823 0.046 0.000 0.680 807 V HN 0.401 nan 8.190 nan 0.000 0.469 808 V N 0.665 120.602 119.914 0.037 0.000 2.379 808 V HA -0.108 4.012 4.120 -0.000 0.000 0.243 808 V C 2.831 178.947 176.094 0.037 0.000 1.035 808 V CA 2.024 64.351 62.300 0.045 0.000 1.035 808 V CB -0.576 31.270 31.823 0.038 0.000 0.673 808 V HN 0.582 nan 8.190 nan 0.000 0.457 809 S N 0.950 116.665 115.700 0.026 0.000 2.370 809 S HA -0.247 4.223 4.470 -0.000 0.000 0.226 809 S C 2.207 176.820 174.600 0.022 0.000 1.033 809 S CA 2.183 60.397 58.200 0.024 0.000 1.011 809 S CB -0.571 62.636 63.200 0.011 0.000 0.852 809 S HN 0.870 nan 8.310 nan 0.000 0.457 810 T N 0.890 115.448 114.554 0.007 0.000 2.777 810 T HA 0.066 4.416 4.350 -0.000 0.000 0.266 810 T C 1.938 176.609 174.700 -0.047 0.000 1.040 810 T CA 1.107 63.188 62.100 -0.032 0.000 1.141 810 T CB -0.583 68.233 68.868 -0.087 0.000 0.868 810 T HN 0.348 nan 8.240 nan 0.000 0.444 811 A N 1.717 124.513 122.820 -0.040 0.000 1.902 811 A HA 0.185 4.505 4.320 -0.000 0.000 0.217 811 A C 2.493 180.151 177.584 0.123 0.000 1.181 811 A CA 1.282 53.365 52.037 0.076 0.000 0.623 811 A CB -0.898 18.208 19.000 0.178 0.000 0.818 811 A HN 0.539 nan 8.150 nan 0.000 0.443 812 L N -0.903 120.373 121.223 0.088 0.000 2.093 812 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 812 L C 3.098 180.017 176.870 0.081 0.000 1.085 812 L CA 1.011 55.904 54.840 0.087 0.000 0.755 812 L CB -0.621 41.485 42.059 0.078 0.000 0.904 812 L HN 0.458 nan 8.230 nan 0.000 0.435 813 A N 0.138 122.996 122.820 0.064 0.000 1.902 813 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 813 A C 2.202 179.839 177.584 0.088 0.000 1.181 813 A CA 1.577 53.651 52.037 0.061 0.000 0.623 813 A CB -0.634 18.385 19.000 0.031 0.000 0.818 813 A HN 0.325 nan 8.150 nan 0.000 0.443 814 L N -0.221 121.057 121.223 0.092 0.000 2.046 814 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 814 L C 2.623 179.579 176.870 0.144 0.000 1.077 814 L CA 2.153 57.076 54.840 0.138 0.000 0.747 814 L CB -0.783 41.373 42.059 0.161 0.000 0.896 814 L HN 0.334 nan 8.230 nan 0.000 0.432 815 A N -0.454 122.432 122.820 0.111 0.000 1.902 815 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 815 A C 2.460 180.073 177.584 0.049 0.000 1.181 815 A CA 1.794 53.871 52.037 0.066 0.000 0.623 815 A CB -1.151 17.884 19.000 0.058 0.000 0.818 815 A HN 0.578 nan 8.150 nan 0.000 0.443 816 A N -0.737 122.125 122.820 0.068 0.000 1.902 816 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 816 A C 2.045 179.663 177.584 0.058 0.000 1.181 816 A CA 2.151 54.220 52.037 0.055 0.000 0.623 816 A CB -0.883 18.157 19.000 0.067 0.000 0.818 816 A HN 0.808 nan 8.150 nan 0.000 0.443 817 H N -0.038 119.037 119.070 0.008 0.000 2.326 817 H HA -0.078 4.478 4.556 -0.001 0.000 0.301 817 H C 2.011 177.338 175.328 -0.002 0.000 1.081 817 H CA 2.182 58.231 56.048 0.002 0.000 1.334 817 H CB -0.169 29.597 29.762 0.007 0.000 1.385 817 H HN 0.450 nan 8.280 nan 0.000 0.504 818 K N -0.462 119.845 120.400 -0.155 0.000 2.057 818 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 818 K C 1.927 178.424 176.600 -0.172 0.000 1.049 818 K CA 1.973 58.139 56.287 -0.201 0.000 0.931 818 K CB -0.147 32.325 32.500 -0.045 0.000 0.714 818 K HN 0.582 nan 8.250 nan 0.000 0.440 819 T N -3.741 110.750 114.554 -0.105 0.000 3.057 819 T HA 0.163 4.513 4.350 -0.000 0.000 0.254 819 T C 1.343 175.993 174.700 -0.083 0.000 1.094 819 T CA 0.572 62.622 62.100 -0.084 0.000 1.088 819 T CB 0.163 68.997 68.868 -0.056 0.000 0.934 819 T HN 0.387 nan 8.240 nan 0.000 0.497 820 G N 1.751 110.496 108.800 -0.091 0.000 2.187 820 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.261 820 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.261 820 G C 0.080 174.944 174.900 -0.059 0.000 1.000 820 G CA 0.341 45.398 45.100 -0.072 0.000 0.718 820 G HN 0.712 nan 8.290 nan 0.000 0.519 821 R N -0.081 120.391 120.500 -0.047 0.000 2.778 821 R HA 0.532 4.872 4.340 -0.000 0.000 0.277 821 R C -2.677 173.610 176.300 -0.021 0.000 0.977 821 R CA -2.255 53.819 56.100 -0.044 0.000 0.950 821 R CB 1.553 31.837 30.300 -0.026 0.000 1.165 821 R HN 0.006 nan 8.270 nan 0.000 0.474 822 P HA 0.050 nan 4.420 nan 0.000 0.268 822 P C -0.959 176.385 177.300 0.074 0.000 1.205 822 P CA -0.084 63.041 63.100 0.043 0.000 0.771 822 P CB 0.690 32.450 31.700 0.100 0.000 0.858 823 V N 3.445 123.412 119.914 0.089 0.000 2.876 823 V HA 0.587 4.707 4.120 -0.000 0.000 0.312 823 V C -0.049 176.102 176.094 0.095 0.000 1.085 823 V CA -0.679 61.669 62.300 0.079 0.000 0.945 823 V CB 2.333 34.195 31.823 0.065 0.000 1.017 823 V HN 0.474 nan 8.190 nan 0.000 0.428 824 R N 1.856 122.405 120.500 0.083 0.000 2.686 824 R HA 0.814 5.154 4.340 -0.000 0.000 0.283 824 R C -1.728 174.616 176.300 0.074 0.000 0.978 824 R CA -0.294 55.855 56.100 0.082 0.000 0.897 824 R CB 1.895 32.237 30.300 0.070 0.000 1.192 824 R HN 0.824 nan 8.270 nan 0.000 0.457 825 C N 5.767 125.111 119.300 0.073 0.000 2.551 825 C HA 0.569 5.029 4.460 -0.000 0.000 0.332 825 C C -0.874 174.152 174.990 0.060 0.000 1.139 825 C CA -0.651 58.409 59.018 0.070 0.000 1.328 825 C CB 1.162 28.950 27.740 0.079 0.000 1.903 825 C HN 0.996 nan 8.230 nan 0.000 0.459 826 M N 6.755 126.390 119.600 0.059 0.000 2.311 826 M HA 0.559 5.039 4.480 -0.000 0.000 0.325 826 M C -1.237 175.097 176.300 0.057 0.000 1.061 826 M CA -0.544 54.786 55.300 0.049 0.000 0.957 826 M CB 1.154 33.789 32.600 0.057 0.000 1.646 826 M HN 0.690 nan 8.290 nan 0.000 0.434 827 L N 4.361 125.613 121.223 0.049 0.000 2.416 827 L HA 0.183 4.523 4.340 -0.000 0.000 0.272 827 L C 0.063 176.980 176.870 0.078 0.000 1.161 827 L CA -0.446 54.435 54.840 0.069 0.000 0.845 827 L CB 0.267 42.369 42.059 0.072 0.000 1.119 827 L HN 0.662 nan 8.230 nan 0.000 0.464 828 D N 1.647 122.102 120.400 0.092 0.000 2.368 828 D HA -0.018 4.621 4.640 -0.000 0.000 0.240 828 D C 0.977 177.349 176.300 0.120 0.000 1.169 828 D CA -0.231 53.838 54.000 0.115 0.000 0.906 828 D CB 0.871 41.745 40.800 0.124 0.000 1.187 828 D HN 0.341 nan 8.370 nan 0.000 0.435 829 R N 1.568 122.147 120.500 0.132 0.000 2.103 829 R HA -0.184 4.155 4.340 -0.000 0.000 0.242 829 R C 1.301 177.665 176.300 0.107 0.000 1.142 829 R CA 2.075 58.222 56.100 0.079 0.000 0.960 829 R CB -0.480 29.868 30.300 0.081 0.000 0.858 829 R HN 0.571 nan 8.270 nan 0.000 0.439 830 D N -0.247 120.266 120.400 0.188 0.000 2.144 830 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 830 D C 1.328 177.712 176.300 0.140 0.000 0.978 830 D CA 1.473 55.580 54.000 0.178 0.000 0.833 830 D CB -0.545 40.419 40.800 0.273 0.000 0.961 830 D HN 0.512 nan 8.370 nan 0.000 0.470 831 E N 0.377 120.662 120.200 0.142 0.000 2.077 831 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 831 E C 1.840 178.507 176.600 0.111 0.000 0.989 831 E CA 1.151 57.626 56.400 0.125 0.000 0.800 831 E CB -0.108 29.664 29.700 0.120 0.000 0.746 831 E HN 0.355 nan 8.360 nan 0.000 0.452 832 D N 0.727 121.189 120.400 0.103 0.000 2.097 832 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 832 D C 2.032 178.387 176.300 0.092 0.000 0.989 832 D CA 1.070 55.135 54.000 0.109 0.000 0.827 832 D CB 0.064 40.937 40.800 0.121 0.000 0.966 832 D HN 0.148 nan 8.370 nan 0.000 0.456 833 M N -0.016 119.613 119.600 0.048 0.000 2.213 833 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 833 M C 2.317 178.643 176.300 0.043 0.000 1.062 833 M CA 0.769 56.076 55.300 0.012 0.000 1.105 833 M CB -0.113 32.472 32.600 -0.025 0.000 1.385 833 M HN 0.082 nan 8.290 nan 0.000 0.417 834 L N 0.451 121.716 121.223 0.070 0.000 2.044 834 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 834 L C 2.008 178.944 176.870 0.109 0.000 1.075 834 L CA 1.746 56.639 54.840 0.088 0.000 0.747 834 L CB -0.255 41.863 42.059 0.099 0.000 0.903 834 L HN 0.178 nan 8.230 nan 0.000 0.435 835 I N -0.868 119.770 120.570 0.114 0.000 2.480 835 I HA -0.154 4.016 4.170 -0.000 0.000 0.251 835 I C 1.835 178.020 176.117 0.113 0.000 1.124 835 I CA 1.420 62.791 61.300 0.119 0.000 1.444 835 I CB -0.386 37.688 38.000 0.123 0.000 1.098 835 I HN 0.433 nan 8.210 nan 0.000 0.428 836 T N -1.784 112.843 114.554 0.122 0.000 3.086 836 T HA 0.436 4.785 4.350 -0.000 0.000 0.250 836 T C 1.036 175.827 174.700 0.153 0.000 1.074 836 T CA 0.205 62.385 62.100 0.132 0.000 0.988 836 T CB -0.043 68.919 68.868 0.156 0.000 0.988 836 T HN 0.491 nan 8.240 nan 0.000 0.530 837 G N -0.106 108.779 108.800 0.141 0.000 2.752 837 G HA2 0.316 4.275 3.960 -0.000 0.000 0.234 837 G HA3 0.316 4.275 3.960 -0.000 0.000 0.234 837 G C 0.001 175.024 174.900 0.205 0.000 1.367 837 G CA -0.476 44.707 45.100 0.138 0.000 0.879 837 G HN 1.405 nan 8.290 nan 0.000 0.563 838 G N -1.678 107.223 108.800 0.169 0.000 2.650 838 G HA2 0.726 4.686 3.960 -0.000 0.000 0.310 838 G HA3 0.726 4.686 3.960 -0.000 0.000 0.310 838 G C -0.194 174.810 174.900 0.174 0.000 1.270 838 G CA 0.209 45.414 45.100 0.176 0.000 0.810 838 G HN 0.944 nan 8.290 nan 0.000 0.493 839 R N -0.310 120.316 120.500 0.210 0.000 2.734 839 R HA 0.197 4.537 4.340 -0.000 0.000 0.266 839 R C -0.572 175.784 176.300 0.094 0.000 1.044 839 R CA -0.130 56.077 56.100 0.178 0.000 1.128 839 R CB -0.020 30.226 30.300 -0.091 0.000 1.010 839 R HN 0.592 nan 8.270 nan 0.000 0.461 840 H N 4.206 123.354 119.070 0.131 0.000 2.742 840 H HA 0.198 4.753 4.556 -0.000 0.000 0.302 840 H C -2.006 173.448 175.328 0.211 0.000 1.069 840 H CA -1.418 54.729 56.048 0.165 0.000 1.446 840 H CB 0.847 30.749 29.762 0.232 0.000 1.462 840 H HN 0.462 nan 8.280 nan 0.000 0.499 841 P HA 0.042 nan 4.420 nan 0.000 0.269 841 P C -0.788 176.643 177.300 0.219 0.000 1.209 841 P CA 0.313 63.470 63.100 0.095 0.000 0.776 841 P CB 0.586 32.326 31.700 0.067 0.000 0.876 842 F N 1.552 121.392 119.950 -0.184 0.000 2.532 842 F HA 0.526 5.052 4.527 -0.000 0.000 0.321 842 F C -0.194 175.562 175.800 -0.074 0.000 1.089 842 F CA -1.090 56.889 58.000 -0.034 0.000 0.926 842 F CB 1.705 40.714 39.000 0.014 0.000 1.168 842 F HN 0.088 nan 8.300 nan 0.000 0.459 843 L N 3.394 124.781 121.223 0.273 0.000 2.341 843 L HA 0.913 5.252 4.340 -0.000 0.000 0.278 843 L C -1.208 175.885 176.870 0.373 0.000 1.005 843 L CA -0.282 54.760 54.840 0.336 0.000 0.818 843 L CB 1.500 43.767 42.059 0.347 0.000 1.259 843 L HN 0.603 nan 8.230 nan 0.000 0.418 844 A N 4.354 127.355 122.820 0.302 0.000 2.414 844 A HA 0.803 5.123 4.320 -0.000 0.000 0.306 844 A C -1.179 176.549 177.584 0.240 0.000 1.054 844 A CA -0.766 51.423 52.037 0.253 0.000 0.724 844 A CB 1.183 20.292 19.000 0.183 0.000 1.267 844 A HN 0.680 nan 8.150 nan 0.000 0.418 845 K N 1.571 122.089 120.400 0.197 0.000 2.307 845 K HA 0.569 4.889 4.320 -0.000 0.000 0.263 845 K C -1.440 175.226 176.600 0.111 0.000 0.973 845 K CA -0.323 56.026 56.287 0.102 0.000 0.846 845 K CB 1.543 34.102 32.500 0.098 0.000 1.100 845 K HN 0.711 nan 8.250 nan 0.000 0.438 846 Y N -0.303 120.048 120.300 0.086 0.000 2.562 846 Y HA 0.674 5.224 4.550 -0.000 0.000 0.343 846 Y C -0.838 175.088 175.900 0.043 0.000 1.025 846 Y CA -1.373 56.766 58.100 0.065 0.000 1.082 846 Y CB 1.612 40.162 38.460 0.150 0.000 1.264 846 Y HN 0.352 nan 8.280 nan 0.000 0.478 847 K N 1.860 122.364 120.400 0.173 0.000 2.535 847 K HA 0.661 4.981 4.320 -0.000 0.000 0.250 847 K C -2.498 174.258 176.600 0.260 0.000 0.948 847 K CA -0.861 55.500 56.287 0.122 0.000 0.796 847 K CB 2.574 35.016 32.500 -0.096 0.000 1.216 847 K HN 0.807 nan 8.250 nan 0.000 0.432 848 V N 3.229 123.309 119.914 0.276 0.000 2.540 848 V HA 0.821 4.941 4.120 -0.000 0.000 0.302 848 V C -0.531 175.811 176.094 0.414 0.000 1.035 848 V CA -0.204 62.181 62.300 0.142 0.000 0.873 848 V CB 1.560 33.256 31.823 -0.212 0.000 0.992 848 V HN 0.868 nan 8.190 nan 0.000 0.428 849 G N 5.797 114.766 108.800 0.282 0.000 2.415 849 G HA2 0.799 4.759 3.960 -0.000 0.000 0.327 849 G HA3 0.799 4.759 3.960 -0.000 0.000 0.327 849 G C -1.257 173.736 174.900 0.155 0.000 1.182 849 G CA -0.583 44.630 45.100 0.188 0.000 0.924 849 G HN 1.045 nan 8.290 nan 0.000 0.470 850 F N -0.018 119.918 119.950 -0.023 0.000 2.686 850 F HA 0.733 5.259 4.527 -0.000 0.000 0.311 850 F C -0.564 175.223 175.800 -0.022 0.000 1.128 850 F CA -1.820 56.154 58.000 -0.043 0.000 0.946 850 F CB 1.281 40.264 39.000 -0.028 0.000 1.336 850 F HN 0.244 nan 8.300 nan 0.000 0.457 851 M N 1.527 121.213 119.600 0.145 0.000 2.245 851 M HA 0.356 4.836 4.480 -0.000 0.000 0.292 851 M C 1.080 177.455 176.300 0.125 0.000 1.176 851 M CA -0.662 54.668 55.300 0.050 0.000 1.035 851 M CB 0.963 33.587 32.600 0.040 0.000 1.440 851 M HN 0.686 nan 8.290 nan 0.000 0.494 852 K N 0.409 120.844 120.400 0.057 0.000 2.360 852 K HA -0.088 4.232 4.320 -0.000 0.000 0.201 852 K C 1.523 178.181 176.600 0.096 0.000 1.046 852 K CA 1.618 57.954 56.287 0.081 0.000 0.945 852 K CB -0.643 31.879 32.500 0.037 0.000 0.750 852 K HN 0.882 nan 8.250 nan 0.000 0.464 853 T N -3.102 111.500 114.554 0.080 0.000 3.113 853 T HA 0.155 4.505 4.350 -0.000 0.000 0.256 853 T C 1.385 176.123 174.700 0.063 0.000 1.131 853 T CA 0.711 62.846 62.100 0.058 0.000 1.074 853 T CB 0.207 69.096 68.868 0.036 0.000 0.944 853 T HN 0.315 nan 8.240 nan 0.000 0.516 854 G N 0.833 109.703 108.800 0.118 0.000 2.157 854 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.239 854 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.239 854 G C 0.151 175.067 174.900 0.027 0.000 0.982 854 G CA 0.038 45.178 45.100 0.066 0.000 0.650 854 G HN 0.663 nan 8.290 nan 0.000 0.527 855 T N 1.348 115.934 114.554 0.053 0.000 2.814 855 T HA 0.455 4.804 4.350 -0.000 0.000 0.297 855 T C 0.698 175.429 174.700 0.052 0.000 0.956 855 T CA -0.054 62.057 62.100 0.018 0.000 1.123 855 T CB 1.939 70.812 68.868 0.007 0.000 0.902 855 T HN 0.394 nan 8.240 nan 0.000 0.528 856 V N 5.276 125.192 119.914 0.003 0.000 2.498 856 V HA 0.167 4.287 4.120 -0.000 0.000 0.279 856 V C 1.270 177.327 176.094 -0.061 0.000 1.048 856 V CA -0.111 62.187 62.300 -0.004 0.000 0.967 856 V CB 1.208 32.990 31.823 -0.069 0.000 0.988 856 V HN 0.880 nan 8.190 nan 0.000 0.473 857 V N 1.456 121.320 119.914 -0.083 0.000 3.604 857 V HA 0.785 4.905 4.120 -0.000 0.000 0.277 857 V C 0.492 176.430 176.094 -0.260 0.000 1.399 857 V CA 0.583 62.799 62.300 -0.140 0.000 1.034 857 V CB 0.246 32.006 31.823 -0.106 0.000 0.824 857 V HN 0.938 nan 8.190 nan 0.000 0.439 858 A N 0.661 123.254 122.820 -0.379 0.000 2.566 858 A HA 0.839 5.159 4.320 -0.000 0.000 0.297 858 A C -1.796 175.434 177.584 -0.590 0.000 1.059 858 A CA -0.408 51.234 52.037 -0.660 0.000 0.691 858 A CB 2.177 20.324 19.000 -1.420 0.000 1.282 858 A HN 0.837 nan 8.150 nan 0.000 0.401 859 L N 0.991 121.946 121.223 -0.448 0.000 2.516 859 L HA 0.706 5.046 4.340 -0.000 0.000 0.267 859 L C -0.750 176.086 176.870 -0.057 0.000 0.957 859 L CA 0.063 54.735 54.840 -0.280 0.000 0.860 859 L CB 1.881 43.676 42.059 -0.440 0.000 1.265 859 L HN 0.820 nan 8.230 nan 0.000 0.403 860 E N 4.373 124.652 120.200 0.132 0.000 2.199 860 E HA 0.695 5.045 4.350 -0.000 0.000 0.265 860 E C -1.945 174.720 176.600 0.108 0.000 0.882 860 E CA -0.693 55.797 56.400 0.150 0.000 0.759 860 E CB 1.954 31.802 29.700 0.246 0.000 1.148 860 E HN 0.505 nan 8.360 nan 0.000 0.412 861 V N 2.703 122.670 119.914 0.088 0.000 2.638 861 V HA 0.637 4.757 4.120 -0.000 0.000 0.306 861 V C -0.462 175.624 176.094 -0.013 0.000 1.052 861 V CA -0.798 61.523 62.300 0.035 0.000 0.885 861 V CB 1.581 33.397 31.823 -0.012 0.000 0.999 861 V HN 0.793 nan 8.190 nan 0.000 0.424 862 A N 3.462 126.263 122.820 -0.031 0.000 2.271 862 A HA 0.796 5.116 4.320 -0.000 0.000 0.317 862 A C -0.698 176.806 177.584 -0.133 0.000 1.245 862 A CA -0.352 51.649 52.037 -0.060 0.000 0.857 862 A CB 0.075 19.114 19.000 0.065 0.000 1.175 862 A HN 0.970 nan 8.150 nan 0.000 0.512 863 H N 0.594 119.541 119.070 -0.205 0.000 2.499 863 H HA 0.688 5.244 4.556 -0.000 0.000 0.340 863 H C -1.327 173.650 175.328 -0.584 0.000 1.148 863 H CA -0.245 55.728 56.048 -0.125 0.000 1.215 863 H CB 1.236 31.028 29.762 0.050 0.000 1.529 863 H HN 0.549 nan 8.280 nan 0.000 0.510 864 F N 0.662 120.603 119.950 -0.014 0.000 2.547 864 F HA 0.427 4.953 4.527 -0.000 0.000 0.316 864 F C -0.111 175.456 175.800 -0.389 0.000 1.121 864 F CA -0.829 57.092 58.000 -0.132 0.000 0.911 864 F CB 1.975 40.979 39.000 0.007 0.000 1.179 864 F HN 0.554 nan 8.300 nan 0.000 0.443 865 S N 1.446 116.946 115.700 -0.333 0.000 2.607 865 S HA 0.534 5.003 4.470 -0.000 0.000 0.303 865 S C -1.011 173.584 174.600 -0.008 0.000 1.086 865 S CA -0.890 57.042 58.200 -0.448 0.000 0.995 865 S CB 1.925 64.677 63.200 -0.746 0.000 1.084 865 S HN 0.541 nan 8.310 nan 0.000 0.507 866 N N 0.652 119.399 118.700 0.078 0.000 2.462 866 N HA 0.338 5.078 4.740 -0.000 0.000 0.242 866 N C 0.802 176.383 175.510 0.119 0.000 1.010 866 N CA -0.228 52.879 53.050 0.096 0.000 0.939 866 N CB 1.095 39.608 38.487 0.044 0.000 1.127 866 N HN 0.907 nan 8.380 nan 0.000 0.509 867 G N 1.390 110.312 108.800 0.204 0.000 2.838 867 G HA2 0.310 4.270 3.960 -0.000 0.000 0.210 867 G HA3 0.310 4.270 3.960 -0.000 0.000 0.210 867 G C 0.801 175.779 174.900 0.130 0.000 1.153 867 G CA 0.414 45.658 45.100 0.242 0.000 0.778 867 G HN 0.929 nan 8.290 nan 0.000 0.539 868 G N 1.134 109.998 108.800 0.106 0.000 2.598 868 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 868 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 868 G C 0.724 175.717 174.900 0.155 0.000 1.302 868 G CA 0.384 45.522 45.100 0.062 0.000 0.903 868 G HN 0.936 nan 8.290 nan 0.000 0.575 869 N N 0.374 119.120 118.700 0.078 0.000 2.280 869 N HA 0.221 4.961 4.740 -0.000 0.000 0.192 869 N C 0.783 176.360 175.510 0.112 0.000 1.109 869 N CA 1.528 54.617 53.050 0.065 0.000 0.855 869 N CB 0.085 38.539 38.487 -0.055 0.000 0.974 869 N HN 1.483 nan 8.380 nan 0.000 0.482 870 T N -4.306 110.312 114.554 0.107 0.000 2.896 870 T HA 0.305 4.655 4.350 -0.000 0.000 0.297 870 T C 0.545 175.074 174.700 -0.285 0.000 1.108 870 T CA -0.764 61.357 62.100 0.035 0.000 1.004 870 T CB 2.432 71.300 68.868 0.002 0.000 1.159 870 T HN -0.001 nan 8.240 nan 0.000 0.499 871 E N 0.715 120.633 120.200 -0.470 0.000 2.047 871 E HA -0.072 4.277 4.350 -0.000 0.000 0.191 871 E C 0.767 177.204 176.600 -0.272 0.000 0.987 871 E CA 1.534 57.426 56.400 -0.847 0.000 0.799 871 E CB -0.191 29.168 29.700 -0.568 0.000 0.752 871 E HN 0.909 nan 8.360 nan 0.000 0.449 872 D N -1.106 119.326 120.400 0.053 0.000 3.287 872 D HA -0.302 4.338 4.640 -0.000 0.000 0.177 872 D C 0.476 176.937 176.300 0.268 0.000 1.205 872 D CA 2.286 56.398 54.000 0.187 0.000 1.054 872 D CB -0.956 39.919 40.800 0.124 0.000 0.550 872 D HN 0.184 nan 8.370 nan 0.000 0.595 873 L N 0.224 121.582 121.223 0.226 0.000 2.612 873 L HA 0.189 4.528 4.340 -0.000 0.000 0.230 873 L C 2.093 178.961 176.870 -0.004 0.000 1.140 873 L CA 0.250 55.228 54.840 0.229 0.000 0.896 873 L CB -0.098 42.158 42.059 0.329 0.000 1.065 873 L HN 0.185 nan 8.230 nan 0.000 0.447 874 S N 0.135 115.803 115.700 -0.054 0.000 2.383 874 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 874 S C 2.081 176.517 174.600 -0.272 0.000 1.030 874 S CA 1.339 59.405 58.200 -0.224 0.000 1.002 874 S CB -0.125 63.043 63.200 -0.054 0.000 0.829 874 S HN 0.457 nan 8.310 nan 0.000 0.467 875 R N 0.752 121.129 120.500 -0.206 0.000 2.115 875 R HA 0.096 4.436 4.340 -0.000 0.000 0.226 875 R C 2.437 178.650 176.300 -0.146 0.000 1.100 875 R CA 1.183 57.163 56.100 -0.199 0.000 0.980 875 R CB -0.288 29.872 30.300 -0.234 0.000 0.875 875 R HN 0.240 nan 8.270 nan 0.000 0.445 876 S N 0.855 116.532 115.700 -0.038 0.000 2.428 876 S HA -0.018 4.452 4.470 -0.000 0.000 0.230 876 S C 1.863 176.477 174.600 0.024 0.000 1.014 876 S CA 0.774 59.052 58.200 0.131 0.000 0.957 876 S CB -0.028 63.427 63.200 0.425 0.000 0.784 876 S HN 0.210 nan 8.310 nan 0.000 0.499 877 I N 0.789 121.120 120.570 -0.398 0.000 2.252 877 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 877 I C 2.418 178.409 176.117 -0.210 0.000 1.102 877 I CA 1.004 61.928 61.300 -0.626 0.000 1.385 877 I CB -0.202 37.284 38.000 -0.857 0.000 1.064 877 I HN 0.299 nan 8.210 nan 0.000 0.414 878 M N 1.076 120.560 119.600 -0.194 0.000 2.117 878 M HA -0.207 4.273 4.480 -0.000 0.000 0.262 878 M C 2.000 178.219 176.300 -0.136 0.000 1.065 878 M CA 1.864 57.095 55.300 -0.115 0.000 1.114 878 M CB -0.449 32.025 32.600 -0.209 0.000 1.361 878 M HN 0.106 nan 8.290 nan 0.000 0.408 879 E N -0.509 119.603 120.200 -0.147 0.000 2.070 879 E HA -0.299 4.050 4.350 -0.000 0.000 0.197 879 E C 2.223 178.753 176.600 -0.116 0.000 1.004 879 E CA 1.761 58.053 56.400 -0.179 0.000 0.805 879 E CB -0.436 29.259 29.700 -0.009 0.000 0.744 879 E HN 0.560 nan 8.360 nan 0.000 0.451 880 R N 0.604 121.207 120.500 0.173 0.000 2.092 880 R HA -0.104 4.236 4.340 -0.000 0.000 0.231 880 R C 2.262 178.724 176.300 0.269 0.000 1.119 880 R CA 1.165 57.498 56.100 0.389 0.000 0.970 880 R CB -0.159 30.397 30.300 0.427 0.000 0.864 880 R HN 0.157 nan 8.270 nan 0.000 0.440 881 A N 0.942 123.800 122.820 0.063 0.000 1.902 881 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 881 A C 2.127 179.694 177.584 -0.030 0.000 1.181 881 A CA 1.185 53.202 52.037 -0.032 0.000 0.623 881 A CB -0.468 18.482 19.000 -0.084 0.000 0.818 881 A HN 0.358 nan 8.150 nan 0.000 0.443 882 L N -2.036 119.116 121.223 -0.118 0.000 2.156 882 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 882 L C 2.070 179.024 176.870 0.140 0.000 1.095 882 L CA 0.631 55.422 54.840 -0.081 0.000 0.770 882 L CB -0.383 41.585 42.059 -0.152 0.000 0.914 882 L HN 0.336 nan 8.230 nan 0.000 0.439 883 F N -0.735 119.255 119.950 0.067 0.000 2.546 883 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 883 F C 1.580 177.326 175.800 -0.090 0.000 1.120 883 F CA 1.001 58.904 58.000 -0.161 0.000 1.456 883 F CB -0.560 38.190 39.000 -0.417 0.000 1.088 883 F HN 0.174 nan 8.300 nan 0.000 0.572 884 H N -1.586 117.679 119.070 0.324 0.000 2.662 884 H HA 0.179 4.735 4.556 -0.000 0.000 0.268 884 H C 1.827 177.233 175.328 0.130 0.000 1.152 884 H CA 0.016 56.184 56.048 0.200 0.000 1.072 884 H CB -0.198 29.556 29.762 -0.012 0.000 1.660 884 H HN 0.216 nan 8.280 nan 0.000 0.584 885 M N -0.148 119.584 119.600 0.220 0.000 2.549 885 M HA -0.042 4.438 4.480 -0.000 0.000 0.260 885 M C 0.693 177.079 176.300 0.142 0.000 1.076 885 M CA 1.387 56.798 55.300 0.186 0.000 1.090 885 M CB 0.168 32.921 32.600 0.255 0.000 1.418 885 M HN 0.042 nan 8.290 nan 0.000 0.486 886 D N -0.468 119.955 120.400 0.039 0.000 2.323 886 D HA -0.062 4.578 4.640 -0.000 0.000 0.209 886 D C 0.932 177.318 176.300 0.143 0.000 0.973 886 D CA 0.519 54.578 54.000 0.097 0.000 0.874 886 D CB -0.585 40.292 40.800 0.129 0.000 0.930 886 D HN 0.523 nan 8.370 nan 0.000 0.521 887 N N 1.458 120.211 118.700 0.089 0.000 1.238 887 N HA -0.374 4.366 4.740 -0.000 0.000 0.139 887 N C 0.768 176.224 175.510 -0.090 0.000 0.512 887 N CA 3.255 56.288 53.050 -0.028 0.000 1.011 887 N CB -1.327 37.088 38.487 -0.120 0.000 1.386 887 N HN 0.315 nan 8.380 nan 0.000 0.471 888 A N -1.109 121.355 122.820 -0.593 0.000 2.345 888 A HA 0.303 4.623 4.320 -0.000 0.000 0.225 888 A C -0.429 176.794 177.584 -0.601 0.000 1.243 888 A CA 0.039 51.793 52.037 -0.471 0.000 0.875 888 A CB -0.279 18.354 19.000 -0.611 0.000 0.929 888 A HN 0.417 nan 8.150 nan 0.000 0.502 889 Y N -0.534 119.631 120.300 -0.225 0.000 2.393 889 Y HA 0.517 5.067 4.550 -0.000 0.000 0.341 889 Y C 0.221 175.538 175.900 -0.973 0.000 0.988 889 Y CA -1.341 56.450 58.100 -0.515 0.000 1.078 889 Y CB 1.326 39.682 38.460 -0.173 0.000 1.203 889 Y HN -0.002 nan 8.280 nan 0.000 0.453 890 K N 4.059 123.950 120.400 -0.848 0.000 2.316 890 K HA 0.460 4.780 4.320 -0.000 0.000 0.289 890 K C -1.438 175.021 176.600 -0.234 0.000 1.070 890 K CA 0.171 56.062 56.287 -0.660 0.000 0.928 890 K CB -0.009 32.233 32.500 -0.430 0.000 1.039 890 K HN 0.680 nan 8.250 nan 0.000 0.480 891 I N 8.366 128.852 120.570 -0.140 0.000 2.439 891 I HA 0.241 4.411 4.170 -0.000 0.000 0.283 891 I C -1.550 174.526 176.117 -0.067 0.000 1.023 891 I CA -2.042 59.201 61.300 -0.095 0.000 1.100 891 I CB 2.009 39.956 38.000 -0.088 0.000 1.238 891 I HN 0.620 nan 8.210 nan 0.000 0.445 892 P HA -0.064 nan 4.420 nan 0.000 0.219 892 P C -0.130 177.135 177.300 -0.057 0.000 1.150 892 P CA 1.044 64.111 63.100 -0.054 0.000 0.814 892 P CB 0.216 31.879 31.700 -0.061 0.000 0.787 893 N N 0.110 118.748 118.700 -0.104 0.000 2.442 893 N HA 0.572 5.312 4.740 -0.000 0.000 0.274 893 N C -0.905 174.524 175.510 -0.135 0.000 1.002 893 N CA -0.482 52.499 53.050 -0.115 0.000 0.910 893 N CB 2.030 40.407 38.487 -0.183 0.000 1.244 893 N HN 0.010 nan 8.380 nan 0.000 0.492 894 I N 1.000 121.538 120.570 -0.054 0.000 2.692 894 I HA 0.454 4.624 4.170 -0.000 0.000 0.293 894 I C -1.651 174.492 176.117 0.043 0.000 1.200 894 I CA -0.710 60.575 61.300 -0.026 0.000 1.036 894 I CB 1.733 39.729 38.000 -0.005 0.000 1.258 894 I HN 0.463 nan 8.210 nan 0.000 0.421 895 R N 5.190 125.726 120.500 0.060 0.000 2.533 895 R HA 0.695 5.035 4.340 -0.000 0.000 0.288 895 R C -1.442 174.932 176.300 0.124 0.000 1.039 895 R CA -0.587 55.574 56.100 0.101 0.000 0.909 895 R CB 2.003 32.358 30.300 0.093 0.000 1.195 895 R HN 0.805 nan 8.270 nan 0.000 0.438 896 G N 1.748 110.646 108.800 0.163 0.000 2.513 896 G HA2 0.499 4.459 3.960 -0.000 0.000 0.317 896 G HA3 0.499 4.459 3.960 -0.000 0.000 0.317 896 G C -0.788 174.207 174.900 0.158 0.000 1.277 896 G CA -0.492 44.733 45.100 0.209 0.000 0.955 896 G HN 0.565 nan 8.290 nan 0.000 0.484 897 T N -1.131 113.507 114.554 0.140 0.000 2.908 897 T HA 0.833 5.182 4.350 -0.000 0.000 0.290 897 T C 0.029 174.717 174.700 -0.020 0.000 1.034 897 T CA -0.661 61.445 62.100 0.011 0.000 1.010 897 T CB 2.357 71.181 68.868 -0.074 0.000 1.068 897 T HN 1.105 nan 8.240 nan 0.000 0.481 898 G N 0.538 109.227 108.800 -0.185 0.000 2.638 898 G HA2 0.642 4.602 3.960 -0.000 0.000 0.302 898 G HA3 0.642 4.602 3.960 -0.000 0.000 0.302 898 G C -1.515 173.140 174.900 -0.407 0.000 1.365 898 G CA -1.003 43.922 45.100 -0.292 0.000 0.987 898 G HN 0.749 nan 8.290 nan 0.000 0.495 899 R N 0.736 120.921 120.500 -0.526 0.000 2.673 899 R HA 0.677 5.017 4.340 -0.000 0.000 0.281 899 R C -1.309 174.883 176.300 -0.181 0.000 0.991 899 R CA -0.760 55.076 56.100 -0.440 0.000 0.896 899 R CB 1.529 31.423 30.300 -0.676 0.000 1.201 899 R HN 0.378 nan 8.270 nan 0.000 0.457 900 I N 3.285 123.842 120.570 -0.023 0.000 2.330 900 I HA 0.333 4.503 4.170 -0.000 0.000 0.289 900 I C -0.348 175.983 176.117 0.356 0.000 1.001 900 I CA -0.314 61.060 61.300 0.124 0.000 1.193 900 I CB 1.419 39.491 38.000 0.121 0.000 1.345 900 I HN 0.524 nan 8.210 nan 0.000 0.461 901 C N 5.396 124.895 119.300 0.332 0.000 2.593 901 C HA 0.270 4.730 4.460 -0.000 0.000 0.409 901 C C 0.731 175.763 174.990 0.071 0.000 1.304 901 C CA -0.639 58.519 59.018 0.232 0.000 2.007 901 C CB -0.099 27.731 27.740 0.150 0.000 2.614 901 C HN 0.698 nan 8.230 nan 0.000 0.585 902 K N 2.764 123.025 120.400 -0.232 0.000 2.263 902 K HA 0.509 4.829 4.320 -0.000 0.000 0.272 902 K C -0.070 176.387 176.600 -0.238 0.000 1.033 902 K CA 0.054 56.081 56.287 -0.434 0.000 0.884 902 K CB 0.608 32.528 32.500 -0.967 0.000 1.107 902 K HN 0.927 nan 8.250 nan 0.000 0.460 903 T N 0.269 114.761 114.554 -0.104 0.000 2.883 903 T HA 0.303 4.653 4.350 -0.000 0.000 0.296 903 T C -0.257 174.386 174.700 -0.095 0.000 1.117 903 T CA -1.077 60.957 62.100 -0.110 0.000 1.006 903 T CB 1.028 69.846 68.868 -0.083 0.000 1.191 903 T HN 0.541 nan 8.240 nan 0.000 0.508 904 N N 0.778 119.412 118.700 -0.110 0.000 3.303 904 N HA 0.475 5.215 4.740 -0.000 0.000 0.304 904 N C -0.822 174.659 175.510 -0.049 0.000 1.302 904 N CA -0.193 52.803 53.050 -0.091 0.000 1.213 904 N CB -0.255 38.178 38.487 -0.091 0.000 1.481 904 N HN 0.378 nan 8.380 nan 0.000 0.546 905 L N 0.021 121.215 121.223 -0.047 0.000 2.327 905 L HA 0.625 4.964 4.340 -0.000 0.000 0.258 905 L C -2.335 174.534 176.870 -0.002 0.000 1.024 905 L CA -2.630 52.188 54.840 -0.035 0.000 0.825 905 L CB 2.186 44.173 42.059 -0.121 0.000 1.386 905 L HN 0.006 nan 8.230 nan 0.000 0.417 906 P HA -0.032 nan 4.420 nan 0.000 0.266 906 P C -0.524 176.790 177.300 0.022 0.000 1.195 906 P CA 0.069 63.197 63.100 0.046 0.000 0.768 906 P CB 0.615 32.374 31.700 0.097 0.000 0.838 907 S N 3.073 118.784 115.700 0.018 0.000 2.525 907 S HA 0.064 4.534 4.470 -0.000 0.000 0.285 907 S C 0.352 174.951 174.600 -0.002 0.000 1.283 907 S CA -0.301 57.906 58.200 0.012 0.000 1.072 907 S CB -0.779 62.433 63.200 0.020 0.000 0.867 907 S HN 0.249 nan 8.310 nan 0.000 0.492 908 N N 2.737 121.376 118.700 -0.102 0.000 2.445 908 N HA 0.423 5.163 4.740 -0.000 0.000 0.264 908 N C 0.223 175.707 175.510 -0.045 0.000 1.227 908 N CA -0.174 52.734 53.050 -0.235 0.000 0.963 908 N CB 1.559 39.575 38.487 -0.785 0.000 1.188 908 N HN 0.681 nan 8.380 nan 0.000 0.491 909 T N -1.362 113.271 114.554 0.132 0.000 2.598 909 T HA 0.632 4.982 4.350 -0.000 0.000 0.289 909 T C -1.266 173.685 174.700 0.418 0.000 1.056 909 T CA -0.504 61.789 62.100 0.322 0.000 1.088 909 T CB 0.403 69.425 68.868 0.257 0.000 1.519 909 T HN 0.472 nan 8.240 nan 0.000 0.488 910 A N 1.060 124.140 122.820 0.434 0.000 2.425 910 A HA 0.624 4.944 4.320 -0.000 0.000 0.249 910 A C -0.828 177.150 177.584 0.657 0.000 1.084 910 A CA -0.068 52.314 52.037 0.575 0.000 0.781 910 A CB -0.597 18.770 19.000 0.611 0.000 1.019 910 A HN 0.703 nan 8.150 nan 0.000 0.490 911 F N 2.157 122.379 119.950 0.454 0.000 2.588 911 F HA 0.430 4.956 4.527 -0.000 0.000 0.318 911 F C 0.520 176.504 175.800 0.306 0.000 1.155 911 F CA -1.065 57.167 58.000 0.387 0.000 0.967 911 F CB 1.189 40.257 39.000 0.114 0.000 1.236 911 F HN 0.793 nan 8.300 nan 0.000 0.455 912 R N 4.242 125.189 120.500 0.745 0.000 4.360 912 R HA -0.093 4.247 4.340 -0.000 0.000 0.119 912 R C 0.908 177.408 176.300 0.333 0.000 0.311 912 R CA 1.957 58.349 56.100 0.486 0.000 0.816 912 R CB -0.741 29.869 30.300 0.516 0.000 1.070 912 R HN 1.209 nan 8.270 nan 0.000 0.227 913 G N 3.567 112.534 108.800 0.278 0.000 2.376 913 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.208 913 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.208 913 G C 0.275 175.441 174.900 0.445 0.000 1.032 913 G CA -0.051 45.225 45.100 0.292 0.000 0.641 913 G HN 0.865 nan 8.290 nan 0.000 0.503 914 F N 0.773 120.840 119.950 0.194 0.000 2.905 914 F HA 0.081 4.608 4.527 -0.000 0.000 0.291 914 F C 1.762 177.614 175.800 0.087 0.000 1.002 914 F CA 2.485 60.588 58.000 0.172 0.000 0.978 914 F CB -1.003 38.102 39.000 0.175 0.000 1.036 914 F HN 2.108 nan 8.300 nan 0.000 0.820 915 G N -0.193 108.609 108.800 0.003 0.000 2.320 915 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.242 915 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.242 915 G C 1.714 176.521 174.900 -0.155 0.000 1.033 915 G CA 0.862 45.883 45.100 -0.131 0.000 0.620 915 G HN 1.621 nan 8.290 nan 0.000 0.517 916 G N 1.887 110.651 108.800 -0.059 0.000 2.553 916 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.218 916 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.218 916 G C 0.114 174.931 174.900 -0.138 0.000 1.195 916 G CA 2.175 47.178 45.100 -0.162 0.000 0.779 916 G HN 0.557 nan 8.290 nan 0.000 0.577 917 P HA -0.026 nan 4.420 nan 0.000 0.217 917 P C 1.828 179.125 177.300 -0.006 0.000 1.150 917 P CA 1.282 64.451 63.100 0.116 0.000 0.832 917 P CB -0.002 31.813 31.700 0.192 0.000 0.787 918 Q N -0.743 118.920 119.800 -0.227 0.000 2.046 918 Q HA -0.050 4.289 4.340 -0.000 0.000 0.200 918 Q C 2.429 178.222 176.000 -0.344 0.000 0.975 918 Q CA 1.955 57.505 55.803 -0.423 0.000 0.836 918 Q CB -1.591 26.439 28.738 -1.180 0.000 0.896 918 Q HN 0.211 nan 8.270 nan 0.000 0.428 919 G N 0.286 108.883 108.800 -0.337 0.000 2.446 919 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 919 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 919 G C 1.377 176.218 174.900 -0.099 0.000 1.168 919 G CA 1.024 46.073 45.100 -0.084 0.000 0.771 919 G HN 0.224 nan 8.290 nan 0.000 0.551 920 M N -0.493 118.908 119.600 -0.331 0.000 2.254 920 M HA 0.131 4.611 4.480 -0.000 0.000 0.265 920 M C 2.421 178.463 176.300 -0.430 0.000 1.066 920 M CA 0.602 55.529 55.300 -0.621 0.000 1.123 920 M CB -0.188 31.516 32.600 -1.494 0.000 1.388 920 M HN 0.242 nan 8.290 nan 0.000 0.425 921 L N 0.841 121.972 121.223 -0.153 0.000 2.083 921 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 921 L C 2.076 178.962 176.870 0.028 0.000 1.083 921 L CA 1.682 56.594 54.840 0.120 0.000 0.752 921 L CB -0.302 41.709 42.059 -0.080 0.000 0.899 921 L HN 0.186 nan 8.230 nan 0.000 0.433 922 I N -0.651 119.899 120.570 -0.033 0.000 2.226 922 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 922 I C 2.594 178.555 176.117 -0.260 0.000 1.100 922 I CA 1.182 62.469 61.300 -0.022 0.000 1.374 922 I CB -0.633 37.422 38.000 0.092 0.000 1.057 922 I HN 0.342 nan 8.210 nan 0.000 0.413 923 A N 0.323 122.959 122.820 -0.306 0.000 1.877 923 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 923 A C 2.231 179.062 177.584 -1.255 0.000 1.186 923 A CA 1.568 53.111 52.037 -0.822 0.000 0.620 923 A CB -0.440 18.418 19.000 -0.238 0.000 0.822 923 A HN 0.326 nan 8.150 nan 0.000 0.443 924 E N -1.455 118.419 120.200 -0.542 0.000 2.204 924 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 924 E C 1.667 177.842 176.600 -0.708 0.000 0.989 924 E CA 0.892 56.938 56.400 -0.590 0.000 0.824 924 E CB -0.396 29.147 29.700 -0.263 0.000 0.756 924 E HN 0.811 nan 8.360 nan 0.000 0.477 925 Y N 1.329 121.405 120.300 -0.373 0.000 2.133 925 Y HA -0.229 4.320 4.550 -0.000 0.000 0.287 925 Y C 2.417 178.118 175.900 -0.330 0.000 1.134 925 Y CA 2.143 60.185 58.100 -0.098 0.000 1.133 925 Y CB -0.439 38.039 38.460 0.029 0.000 0.987 925 Y HN 0.195 nan 8.280 nan 0.000 0.502 926 W N -0.838 120.290 121.300 -0.287 0.000 2.402 926 W HA -0.193 4.467 4.660 -0.000 0.000 0.286 926 W C 1.778 178.082 176.519 -0.359 0.000 1.221 926 W CA 1.027 58.118 57.345 -0.423 0.000 1.257 926 W CB -1.098 28.002 29.460 -0.600 0.000 1.120 926 W HN 0.248 nan 8.180 nan 0.000 0.551 927 M N 3.310 122.456 119.600 -0.756 0.000 2.159 927 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 927 M C 2.526 178.540 176.300 -0.477 0.000 1.063 927 M CA 2.689 57.606 55.300 -0.638 0.000 1.110 927 M CB -0.717 31.279 32.600 -1.007 0.000 1.374 927 M HN 0.085 nan 8.290 nan 0.000 0.411 928 S N -0.942 114.432 115.700 -0.543 0.000 2.402 928 S HA -0.108 4.361 4.470 -0.000 0.000 0.229 928 S C 1.760 176.176 174.600 -0.307 0.000 1.021 928 S CA 1.314 59.251 58.200 -0.439 0.000 0.974 928 S CB -0.724 62.175 63.200 -0.500 0.000 0.800 928 S HN 0.690 nan 8.310 nan 0.000 0.484 929 E N 0.732 120.765 120.200 -0.279 0.000 2.216 929 E HA 0.011 4.361 4.350 -0.000 0.000 0.192 929 E C 2.075 178.558 176.600 -0.196 0.000 0.988 929 E CA 0.779 57.081 56.400 -0.163 0.000 0.834 929 E CB -0.234 29.449 29.700 -0.028 0.000 0.772 929 E HN 0.388 nan 8.360 nan 0.000 0.479 930 V N 1.741 121.442 119.914 -0.354 0.000 2.287 930 V HA -0.325 3.794 4.120 -0.000 0.000 0.248 930 V C 2.398 178.235 176.094 -0.428 0.000 1.053 930 V CA 2.118 63.954 62.300 -0.773 0.000 1.027 930 V CB -0.734 30.634 31.823 -0.759 0.000 0.646 930 V HN 0.315 nan 8.190 nan 0.000 0.447 931 A N -0.140 122.516 122.820 -0.274 0.000 1.877 931 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 931 A C 2.155 179.692 177.584 -0.079 0.000 1.186 931 A CA 1.753 53.698 52.037 -0.153 0.000 0.620 931 A CB -0.501 18.419 19.000 -0.135 0.000 0.822 931 A HN 0.391 nan 8.150 nan 0.000 0.443 932 I N 0.282 120.804 120.570 -0.080 0.000 2.226 932 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 932 I C 2.503 178.637 176.117 0.028 0.000 1.100 932 I CA 2.013 63.303 61.300 -0.017 0.000 1.374 932 I CB -1.867 36.117 38.000 -0.026 0.000 1.057 932 I HN 0.257 nan 8.210 nan 0.000 0.413 933 T N 0.246 114.826 114.554 0.043 0.000 2.777 933 T HA -0.163 4.186 4.350 -0.000 0.000 0.266 933 T C 2.011 176.820 174.700 0.182 0.000 1.040 933 T CA 1.455 63.649 62.100 0.157 0.000 1.141 933 T CB -0.340 68.719 68.868 0.318 0.000 0.868 933 T HN 0.362 nan 8.240 nan 0.000 0.444 934 C N 0.705 120.100 119.300 0.159 0.000 2.448 934 C HA 0.378 4.838 4.460 -0.000 0.000 0.280 934 C C 2.195 177.235 174.990 0.083 0.000 1.398 934 C CA -0.114 58.993 59.018 0.148 0.000 1.774 934 C CB -1.369 26.449 27.740 0.130 0.000 1.888 934 C HN 0.817 nan 8.230 nan 0.000 0.519 935 G N 0.473 109.308 108.800 0.058 0.000 2.176 935 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.252 935 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.252 935 G C -0.243 174.679 174.900 0.037 0.000 1.024 935 G CA 0.125 45.252 45.100 0.045 0.000 0.755 935 G HN 0.522 nan 8.290 nan 0.000 0.507 936 L N -0.527 120.713 121.223 0.029 0.000 2.319 936 L HA 0.601 4.941 4.340 -0.000 0.000 0.267 936 L C -2.104 174.782 176.870 0.027 0.000 1.011 936 L CA -2.711 52.146 54.840 0.029 0.000 0.818 936 L CB 1.988 44.062 42.059 0.025 0.000 1.316 936 L HN -0.167 nan 8.230 nan 0.000 0.432 937 P HA 0.083 nan 4.420 nan 0.000 0.271 937 P C -0.021 177.319 177.300 0.066 0.000 1.220 937 P CA -0.099 63.044 63.100 0.071 0.000 0.768 937 P CB 1.144 32.905 31.700 0.103 0.000 0.848 938 A N 4.376 127.236 122.820 0.065 0.000 1.972 938 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 938 A C 1.899 179.526 177.584 0.071 0.000 1.169 938 A CA 1.448 53.498 52.037 0.021 0.000 0.635 938 A CB -0.849 18.154 19.000 0.005 0.000 0.810 938 A HN 0.647 nan 8.150 nan 0.000 0.446 939 E N 0.838 121.130 120.200 0.154 0.000 2.153 939 E HA -0.232 4.117 4.350 -0.000 0.000 0.194 939 E C 1.424 178.173 176.600 0.248 0.000 0.988 939 E CA 1.615 58.165 56.400 0.250 0.000 0.811 939 E CB -0.575 29.169 29.700 0.074 0.000 0.746 939 E HN 0.759 nan 8.360 nan 0.000 0.466 940 E N 0.644 120.930 120.200 0.143 0.000 2.107 940 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 940 E C 2.358 178.963 176.600 0.010 0.000 0.982 940 E CA 0.993 57.444 56.400 0.085 0.000 0.809 940 E CB 0.116 29.859 29.700 0.072 0.000 0.756 940 E HN 0.090 nan 8.360 nan 0.000 0.459 941 V N 1.484 121.388 119.914 -0.017 0.000 2.255 941 V HA -0.293 3.826 4.120 -0.000 0.000 0.247 941 V C 2.288 178.287 176.094 -0.158 0.000 1.051 941 V CA 1.873 64.120 62.300 -0.088 0.000 1.018 941 V CB -0.478 31.273 31.823 -0.119 0.000 0.641 941 V HN 0.202 nan 8.190 nan 0.000 0.445 942 R N -0.316 120.092 120.500 -0.153 0.000 2.083 942 R HA -0.224 4.116 4.340 -0.000 0.000 0.237 942 R C 2.503 178.683 176.300 -0.200 0.000 1.137 942 R CA 1.912 57.898 56.100 -0.190 0.000 0.951 942 R CB -0.429 29.839 30.300 -0.053 0.000 0.851 942 R HN 0.309 nan 8.270 nan 0.000 0.434 943 R N 2.076 122.405 120.500 -0.286 0.000 2.092 943 R HA -0.130 4.209 4.340 -0.000 0.000 0.231 943 R C 1.928 178.110 176.300 -0.196 0.000 1.119 943 R CA 1.907 57.759 56.100 -0.412 0.000 0.970 943 R CB -0.166 29.966 30.300 -0.280 0.000 0.864 943 R HN 0.271 nan 8.270 nan 0.000 0.440 944 K N -1.127 119.206 120.400 -0.112 0.000 2.432 944 K HA 0.031 4.351 4.320 -0.000 0.000 0.196 944 K C 0.778 177.337 176.600 -0.069 0.000 1.038 944 K CA 1.178 57.421 56.287 -0.072 0.000 0.986 944 K CB 0.070 32.543 32.500 -0.044 0.000 0.782 944 K HN 0.093 nan 8.250 nan 0.000 0.485 945 N N 0.656 119.311 118.700 -0.075 0.000 2.280 945 N HA 0.050 4.790 4.740 -0.000 0.000 0.192 945 N C 0.050 175.585 175.510 0.042 0.000 1.109 945 N CA 0.003 53.026 53.050 -0.045 0.000 0.855 945 N CB 0.287 38.696 38.487 -0.130 0.000 0.974 945 N HN 0.318 nan 8.380 nan 0.000 0.482 946 M N 0.905 120.523 119.600 0.029 0.000 2.245 946 M HA 0.036 4.516 4.480 -0.000 0.000 0.344 946 M C -0.316 175.960 176.300 -0.040 0.000 1.170 946 M CA -0.211 55.082 55.300 -0.010 0.000 1.135 946 M CB 0.551 33.094 32.600 -0.094 0.000 1.574 946 M HN 0.001 nan 8.290 nan 0.000 0.452 947 Y N 3.606 123.869 120.300 -0.062 0.000 2.641 947 Y HA -0.038 4.512 4.550 -0.000 0.000 0.351 947 Y C 0.455 176.209 175.900 -0.243 0.000 1.269 947 Y CA 0.395 58.339 58.100 -0.260 0.000 1.485 947 Y CB 0.402 38.524 38.460 -0.563 0.000 1.364 947 Y HN 0.476 nan 8.280 nan 0.000 0.651 948 K N 0.410 120.712 120.400 -0.163 0.000 2.350 948 K HA 0.439 4.759 4.320 -0.000 0.000 0.241 948 K C -1.077 175.283 176.600 -0.400 0.000 0.994 948 K CA -1.247 54.955 56.287 -0.141 0.000 0.839 948 K CB 1.512 33.989 32.500 -0.039 0.000 1.244 948 K HN 0.478 nan 8.250 nan 0.000 0.443 949 E N 0.337 120.452 120.200 -0.142 0.000 2.708 949 E HA 0.016 4.365 4.350 -0.000 0.000 0.260 949 E C 0.862 177.367 176.600 -0.159 0.000 0.937 949 E CA 2.205 58.533 56.400 -0.119 0.000 0.953 949 E CB -0.305 29.424 29.700 0.049 0.000 0.915 949 E HN 0.813 nan 8.360 nan 0.000 0.487 950 G N 3.641 112.331 108.800 -0.185 0.000 2.205 950 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.261 950 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.261 950 G C -0.053 174.740 174.900 -0.179 0.000 0.980 950 G CA 0.172 45.184 45.100 -0.146 0.000 0.632 950 G HN 0.663 nan 8.290 nan 0.000 0.533 951 D N 0.295 120.543 120.400 -0.252 0.000 2.400 951 D HA 0.411 5.051 4.640 -0.000 0.000 0.238 951 D C 1.208 177.339 176.300 -0.282 0.000 1.157 951 D CA 0.077 53.952 54.000 -0.208 0.000 0.889 951 D CB 0.551 41.276 40.800 -0.126 0.000 1.199 951 D HN 0.298 nan 8.370 nan 0.000 0.436 952 L N 1.372 122.482 121.223 -0.189 0.000 2.312 952 L HA 0.231 4.570 4.340 -0.000 0.000 0.281 952 L C 1.371 178.086 176.870 -0.259 0.000 1.070 952 L CA -0.668 54.031 54.840 -0.234 0.000 0.805 952 L CB 1.192 43.167 42.059 -0.140 0.000 1.174 952 L HN 0.469 nan 8.230 nan 0.000 0.434 953 T N -2.385 111.859 114.554 -0.517 0.000 2.698 953 T HA 0.006 4.356 4.350 -0.000 0.000 0.295 953 T C 1.460 176.032 174.700 -0.212 0.000 1.007 953 T CA -0.233 61.595 62.100 -0.454 0.000 0.980 953 T CB 0.381 68.558 68.868 -1.150 0.000 1.036 953 T HN 0.727 nan 8.240 nan 0.000 0.526 954 H N 0.179 119.201 119.070 -0.079 0.000 2.518 954 H HA -0.027 4.529 4.556 -0.000 0.000 0.289 954 H C 1.257 176.658 175.328 0.123 0.000 1.051 954 H CA 1.121 57.207 56.048 0.064 0.000 1.280 954 H CB -0.864 29.004 29.762 0.177 0.000 1.380 954 H HN 0.779 nan 8.280 nan 0.000 0.566 955 F N 0.093 119.854 119.950 -0.314 0.000 2.639 955 F HA 0.405 4.932 4.527 -0.000 0.000 0.300 955 F C 0.137 175.940 175.800 0.005 0.000 1.109 955 F CA -0.863 57.044 58.000 -0.154 0.000 1.335 955 F CB -0.092 38.685 39.000 -0.372 0.000 1.014 955 F HN -0.146 nan 8.300 nan 0.000 0.537 956 N N 1.220 119.800 118.700 -0.201 0.000 2.741 956 N HA -0.269 4.471 4.740 -0.000 0.000 0.251 956 N C -0.062 175.359 175.510 -0.148 0.000 1.112 956 N CA 1.123 54.097 53.050 -0.127 0.000 0.750 956 N CB -1.148 37.343 38.487 0.007 0.000 1.119 956 N HN 0.778 nan 8.380 nan 0.000 0.561 957 Q N 1.090 120.684 119.800 -0.342 0.000 2.267 957 Q HA 0.250 4.589 4.340 -0.000 0.000 0.255 957 Q C 0.017 175.884 176.000 -0.221 0.000 0.923 957 Q CA -0.455 55.247 55.803 -0.170 0.000 0.925 957 Q CB 0.899 29.666 28.738 0.048 0.000 1.195 957 Q HN 0.125 nan 8.270 nan 0.000 0.417 958 K N 4.464 124.806 120.400 -0.096 0.000 2.379 958 K HA 0.134 4.453 4.320 -0.000 0.000 0.284 958 K C -0.854 175.675 176.600 -0.118 0.000 1.044 958 K CA -0.208 56.003 56.287 -0.126 0.000 0.974 958 K CB 0.359 32.822 32.500 -0.062 0.000 0.962 958 K HN 0.662 nan 8.250 nan 0.000 0.474 959 L N 5.529 126.583 121.223 -0.282 0.000 2.385 959 L HA 0.182 4.522 4.340 -0.000 0.000 0.285 959 L C 0.070 176.891 176.870 -0.082 0.000 1.125 959 L CA 0.058 54.732 54.840 -0.276 0.000 0.890 959 L CB 0.228 41.880 42.059 -0.678 0.000 1.251 959 L HN 0.589 nan 8.230 nan 0.000 0.445 960 E N 2.009 122.262 120.200 0.088 0.000 2.207 960 E HA 0.431 4.781 4.350 -0.000 0.000 0.270 960 E C 0.515 177.222 176.600 0.177 0.000 0.927 960 E CA -0.619 55.841 56.400 0.100 0.000 0.799 960 E CB 1.966 31.718 29.700 0.087 0.000 1.172 960 E HN 0.685 nan 8.360 nan 0.000 0.404 961 G N 2.579 111.462 108.800 0.139 0.000 2.333 961 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.296 961 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.296 961 G C -0.455 174.567 174.900 0.204 0.000 1.059 961 G CA 0.087 45.274 45.100 0.145 0.000 1.050 961 G HN 0.422 nan 8.290 nan 0.000 0.508 962 F N 2.397 122.311 119.950 -0.061 0.000 2.462 962 F HA 0.490 5.017 4.527 -0.000 0.000 0.354 962 F C 1.610 177.193 175.800 -0.360 0.000 1.192 962 F CA -0.176 57.649 58.000 -0.292 0.000 1.173 962 F CB 0.483 39.322 39.000 -0.268 0.000 1.402 962 F HN 0.187 nan 8.300 nan 0.000 0.595 963 T N 2.338 116.470 114.554 -0.703 0.000 3.107 963 T HA -0.028 4.322 4.350 -0.000 0.000 0.249 963 T C 1.834 176.164 174.700 -0.615 0.000 1.096 963 T CA 0.202 62.032 62.100 -0.449 0.000 1.012 963 T CB -0.203 68.592 68.868 -0.121 0.000 0.977 963 T HN 0.517 nan 8.240 nan 0.000 0.527 964 L N 2.452 122.922 121.223 -1.256 0.000 2.042 964 L HA 0.104 4.444 4.340 -0.000 0.000 0.210 964 L C -0.896 175.734 176.870 -0.401 0.000 1.076 964 L CA 1.821 56.174 54.840 -0.811 0.000 0.749 964 L CB -1.145 40.274 42.059 -1.066 0.000 0.893 964 L HN 0.130 nan 8.230 nan 0.000 0.432 965 P HA -0.159 nan 4.420 nan 0.000 0.215 965 P C 1.475 178.769 177.300 -0.010 0.000 1.153 965 P CA 1.612 64.632 63.100 -0.134 0.000 0.853 965 P CB -0.065 31.572 31.700 -0.106 0.000 0.788 966 R N -1.182 119.277 120.500 -0.069 0.000 2.092 966 R HA -0.085 4.255 4.340 -0.000 0.000 0.231 966 R C 2.253 178.563 176.300 0.015 0.000 1.119 966 R CA 1.470 57.560 56.100 -0.017 0.000 0.970 966 R CB -1.204 29.074 30.300 -0.037 0.000 0.864 966 R HN 0.243 nan 8.270 nan 0.000 0.440 967 C N -0.424 118.879 119.300 0.006 0.000 2.425 967 C HA -0.120 4.340 4.460 -0.000 0.000 0.277 967 C C 2.356 177.404 174.990 0.097 0.000 1.280 967 C CA 0.004 59.051 59.018 0.049 0.000 1.744 967 C CB -0.995 26.787 27.740 0.070 0.000 1.989 967 C HN 0.669 nan 8.230 nan 0.000 0.491 968 W N 2.164 123.419 121.300 -0.075 0.000 2.378 968 W HA -0.096 4.563 4.660 -0.000 0.000 0.313 968 W C 1.753 178.238 176.519 -0.057 0.000 1.197 968 W CA 1.668 58.973 57.345 -0.066 0.000 1.304 968 W CB -0.610 28.806 29.460 -0.074 0.000 1.148 968 W HN 0.343 nan 8.180 nan 0.000 0.494 969 D N 0.364 120.886 120.400 0.203 0.000 2.149 969 D HA -0.195 4.445 4.640 -0.000 0.000 0.198 969 D C 1.916 178.203 176.300 -0.021 0.000 0.990 969 D CA 1.625 55.669 54.000 0.074 0.000 0.839 969 D CB -0.530 40.333 40.800 0.104 0.000 0.948 969 D HN 0.422 nan 8.370 nan 0.000 0.460 970 E N -0.216 119.976 120.200 -0.014 0.000 2.106 970 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 970 E C 2.124 178.686 176.600 -0.064 0.000 0.984 970 E CA 0.518 56.901 56.400 -0.028 0.000 0.806 970 E CB -0.076 29.617 29.700 -0.012 0.000 0.750 970 E HN 0.238 nan 8.360 nan 0.000 0.458 971 C N 0.828 120.063 119.300 -0.108 0.000 2.466 971 C HA -0.035 4.425 4.460 -0.000 0.000 0.278 971 C C 2.512 177.382 174.990 -0.200 0.000 1.288 971 C CA 0.020 58.950 59.018 -0.146 0.000 1.722 971 C CB -0.823 26.807 27.740 -0.183 0.000 2.017 971 C HN 0.364 nan 8.230 nan 0.000 0.488 972 I N 1.550 121.929 120.570 -0.317 0.000 2.264 972 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 972 I C 2.751 178.817 176.117 -0.084 0.000 1.111 972 I CA 2.052 63.191 61.300 -0.269 0.000 1.382 972 I CB -1.434 36.360 38.000 -0.342 0.000 1.060 972 I HN 0.452 nan 8.210 nan 0.000 0.418 973 A N 0.718 123.498 122.820 -0.066 0.000 1.874 973 A HA -0.128 4.192 4.320 -0.000 0.000 0.214 973 A C 2.463 180.036 177.584 -0.017 0.000 1.189 973 A CA 1.648 53.671 52.037 -0.023 0.000 0.615 973 A CB -0.660 18.329 19.000 -0.017 0.000 0.830 973 A HN 0.519 nan 8.150 nan 0.000 0.443 974 S N 0.329 116.012 115.700 -0.028 0.000 2.436 974 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 974 S C 1.889 176.482 174.600 -0.011 0.000 1.014 974 S CA 1.404 59.594 58.200 -0.018 0.000 0.950 974 S CB -0.605 62.583 63.200 -0.020 0.000 0.784 974 S HN 0.820 nan 8.310 nan 0.000 0.504 975 S N 0.696 116.388 115.700 -0.013 0.000 2.528 975 S HA 0.115 4.585 4.470 -0.000 0.000 0.219 975 S C 0.635 175.250 174.600 0.025 0.000 0.985 975 S CA 0.095 58.299 58.200 0.008 0.000 0.914 975 S CB -0.761 62.446 63.200 0.012 0.000 0.776 975 S HN 0.555 nan 8.310 nan 0.000 0.526 976 Q N -0.467 119.347 119.800 0.024 0.000 2.451 976 Q HA -0.275 4.064 4.340 -0.000 0.000 0.305 976 Q C 0.199 176.220 176.000 0.035 0.000 1.345 976 Q CA 0.705 56.522 55.803 0.024 0.000 0.854 976 Q CB -2.281 26.459 28.738 0.004 0.000 1.162 976 Q HN 0.820 nan 8.270 nan 0.000 0.440 977 Y N 0.280 120.539 120.300 -0.069 0.000 2.128 977 Y HA -0.245 4.304 4.550 -0.000 0.000 0.284 977 Y C 1.753 177.626 175.900 -0.045 0.000 1.154 977 Y CA 2.459 60.515 58.100 -0.073 0.000 1.149 977 Y CB -0.116 38.269 38.460 -0.126 0.000 0.976 977 Y HN 0.388 nan 8.280 nan 0.000 0.505 978 L N -0.415 120.806 121.223 -0.003 0.000 2.093 978 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 978 L C 2.803 179.599 176.870 -0.123 0.000 1.085 978 L CA 1.028 55.816 54.840 -0.088 0.000 0.755 978 L CB -1.013 41.076 42.059 0.050 0.000 0.904 978 L HN 0.355 nan 8.230 nan 0.000 0.435 979 A N 0.269 123.046 122.820 -0.072 0.000 1.902 979 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 979 A C 2.374 179.905 177.584 -0.089 0.000 1.181 979 A CA 1.502 53.504 52.037 -0.058 0.000 0.623 979 A CB -0.448 18.534 19.000 -0.030 0.000 0.818 979 A HN 0.318 nan 8.150 nan 0.000 0.443 980 R N -0.743 119.681 120.500 -0.126 0.000 2.148 980 R HA -0.047 4.293 4.340 -0.000 0.000 0.223 980 R C 2.222 178.412 176.300 -0.183 0.000 1.088 980 R CA 1.300 57.320 56.100 -0.133 0.000 0.985 980 R CB -0.175 30.055 30.300 -0.118 0.000 0.880 980 R HN 0.590 nan 8.270 nan 0.000 0.451 981 K N 0.743 120.964 120.400 -0.299 0.000 2.097 981 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 981 K C 1.950 178.473 176.600 -0.129 0.000 1.049 981 K CA 1.180 57.299 56.287 -0.280 0.000 0.933 981 K CB 0.172 32.434 32.500 -0.396 0.000 0.717 981 K HN 0.036 nan 8.250 nan 0.000 0.442 982 R N 0.339 120.779 120.500 -0.100 0.000 2.092 982 R HA -0.116 4.224 4.340 -0.000 0.000 0.231 982 R C 2.160 178.449 176.300 -0.017 0.000 1.119 982 R CA 1.223 57.297 56.100 -0.044 0.000 0.970 982 R CB -0.277 30.003 30.300 -0.034 0.000 0.864 982 R HN 0.239 nan 8.270 nan 0.000 0.440 983 E N 1.106 121.293 120.200 -0.022 0.000 2.110 983 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 983 E C 1.953 178.581 176.600 0.046 0.000 0.988 983 E CA 0.947 57.355 56.400 0.014 0.000 0.804 983 E CB -0.182 29.520 29.700 0.002 0.000 0.745 983 E HN 0.005 nan 8.360 nan 0.000 0.458 984 V N 0.985 120.900 119.914 0.002 0.000 2.287 984 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 984 V C 2.170 178.318 176.094 0.090 0.000 1.053 984 V CA 2.296 64.614 62.300 0.030 0.000 1.027 984 V CB -0.554 31.251 31.823 -0.030 0.000 0.646 984 V HN 0.320 nan 8.190 nan 0.000 0.447 985 E N -0.184 120.041 120.200 0.043 0.000 2.085 985 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 985 E C 2.307 178.942 176.600 0.059 0.000 0.994 985 E CA 1.493 57.919 56.400 0.043 0.000 0.801 985 E CB -0.171 29.537 29.700 0.013 0.000 0.743 985 E HN 0.515 nan 8.360 nan 0.000 0.453 986 K N 0.273 120.712 120.400 0.064 0.000 2.057 986 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 986 K C 1.987 178.638 176.600 0.085 0.000 1.050 986 K CA 0.960 57.281 56.287 0.057 0.000 0.935 986 K CB -0.162 32.369 32.500 0.052 0.000 0.715 986 K HN 0.062 nan 8.250 nan 0.000 0.439 987 F N 2.122 122.068 119.950 -0.006 0.000 2.126 987 F HA -0.211 4.315 4.527 -0.000 0.000 0.299 987 F C 1.648 177.448 175.800 -0.001 0.000 1.096 987 F CA 1.544 59.545 58.000 0.002 0.000 1.255 987 F CB -0.129 38.874 39.000 0.006 0.000 0.997 987 F HN 0.124 nan 8.300 nan 0.000 0.479 988 N N 0.449 119.271 118.700 0.203 0.000 2.331 988 N HA -0.077 4.663 4.740 -0.000 0.000 0.180 988 N C 1.797 177.277 175.510 -0.050 0.000 1.019 988 N CA 0.877 53.986 53.050 0.098 0.000 0.881 988 N CB -0.346 38.212 38.487 0.120 0.000 0.972 988 N HN 0.386 nan 8.380 nan 0.000 0.435 989 R N 0.759 121.233 120.500 -0.044 0.000 2.115 989 R HA 0.025 4.365 4.340 -0.000 0.000 0.226 989 R C 1.193 177.429 176.300 -0.108 0.000 1.100 989 R CA 0.844 56.904 56.100 -0.066 0.000 0.980 989 R CB 0.016 30.293 30.300 -0.038 0.000 0.875 989 R HN 0.389 nan 8.270 nan 0.000 0.445 990 E N -0.166 119.933 120.200 -0.168 0.000 2.474 990 E HA 0.076 4.426 4.350 -0.000 0.000 0.194 990 E C -0.238 176.206 176.600 -0.259 0.000 1.041 990 E CA 0.113 56.398 56.400 -0.193 0.000 0.874 990 E CB 0.344 29.924 29.700 -0.200 0.000 0.914 990 E HN 0.227 nan 8.360 nan 0.000 0.498 991 N N -0.117 118.380 118.700 -0.339 0.000 2.371 991 N HA 0.072 4.811 4.740 -0.000 0.000 0.291 991 N C -0.525 174.851 175.510 -0.222 0.000 1.053 991 N CA -0.228 52.636 53.050 -0.309 0.000 0.870 991 N CB 1.912 40.013 38.487 -0.644 0.000 1.503 991 N HN -0.035 nan 8.380 nan 0.000 0.485 992 C N 1.579 120.734 119.300 -0.241 0.000 2.507 992 C HA 0.170 4.630 4.460 -0.000 0.000 0.280 992 C C 1.188 175.810 174.990 -0.613 0.000 1.345 992 C CA 0.098 58.779 59.018 -0.562 0.000 1.736 992 C CB -0.614 26.588 27.740 -0.896 0.000 2.060 992 C HN 0.874 nan 8.230 nan 0.000 0.498 993 W N 1.019 122.324 121.300 0.008 0.000 3.008 993 W HA 0.397 5.057 4.660 -0.000 0.000 0.355 993 W C 0.556 177.146 176.519 0.117 0.000 1.095 993 W CA -0.300 57.087 57.345 0.070 0.000 1.738 993 W CB 0.267 29.757 29.460 0.051 0.000 1.091 993 W HN -0.035 nan 8.180 nan 0.000 0.574 994 K N 1.471 122.035 120.400 0.273 0.000 2.371 994 K HA 0.470 4.790 4.320 -0.000 0.000 0.251 994 K C -0.307 176.528 176.600 0.392 0.000 0.934 994 K CA -0.804 55.687 56.287 0.340 0.000 0.798 994 K CB 2.589 35.356 32.500 0.445 0.000 1.204 994 K HN -0.357 nan 8.250 nan 0.000 0.427 995 K N 2.200 122.814 120.400 0.356 0.000 2.502 995 K HA 0.440 4.760 4.320 -0.000 0.000 0.257 995 K C -0.433 176.267 176.600 0.168 0.000 0.938 995 K CA -0.753 55.732 56.287 0.330 0.000 0.819 995 K CB 2.668 35.265 32.500 0.162 0.000 1.333 995 K HN 0.508 nan 8.250 nan 0.000 0.434 996 R N -0.059 120.503 120.500 0.102 0.000 2.598 996 R HA 0.705 5.045 4.340 -0.000 0.000 0.279 996 R C 0.167 176.463 176.300 -0.007 0.000 0.984 996 R CA -0.792 55.258 56.100 -0.083 0.000 0.999 996 R CB 1.678 31.799 30.300 -0.298 0.000 1.114 996 R HN 0.759 nan 8.270 nan 0.000 0.493 997 G N 1.001 109.787 108.800 -0.024 0.000 2.612 997 G HA2 0.585 4.545 3.960 -0.000 0.000 0.298 997 G HA3 0.585 4.545 3.960 -0.000 0.000 0.298 997 G C -2.044 172.859 174.900 0.005 0.000 1.336 997 G CA -0.458 44.644 45.100 0.004 0.000 0.953 997 G HN 0.370 nan 8.290 nan 0.000 0.482 998 L N 0.727 121.969 121.223 0.031 0.000 2.464 998 L HA 0.829 5.168 4.340 -0.000 0.000 0.266 998 L C -1.018 175.937 176.870 0.142 0.000 0.965 998 L CA -0.545 54.329 54.840 0.057 0.000 0.833 998 L CB 1.720 43.769 42.059 -0.017 0.000 1.296 998 L HN 0.807 nan 8.230 nan 0.000 0.405 999 C N 5.259 124.665 119.300 0.176 0.000 2.985 999 C HA 0.694 5.154 4.460 -0.000 0.000 0.314 999 C C -1.182 173.887 174.990 0.132 0.000 1.215 999 C CA -0.807 58.327 59.018 0.193 0.000 1.414 999 C CB 1.347 29.193 27.740 0.177 0.000 1.842 999 C HN 0.939 nan 8.230 nan 0.000 0.477 1000 I N 5.800 126.380 120.570 0.016 0.000 2.436 1000 I HA 0.672 4.841 4.170 -0.000 0.000 0.289 1000 I C -1.364 174.766 176.117 0.022 0.000 1.010 1000 I CA -0.522 60.690 61.300 -0.146 0.000 1.098 1000 I CB 0.956 38.583 38.000 -0.623 0.000 1.266 1000 I HN 0.506 nan 8.210 nan 0.000 0.434 1001 I N 9.276 129.910 120.570 0.107 0.000 2.545 1001 I HA 0.532 4.702 4.170 -0.000 0.000 0.292 1001 I C -2.512 173.795 176.117 0.318 0.000 1.040 1001 I CA -2.138 59.299 61.300 0.228 0.000 1.068 1001 I CB 2.016 40.085 38.000 0.115 0.000 1.251 1001 I HN 0.375 nan 8.210 nan 0.000 0.424 1002 P HA 0.480 nan 4.420 nan 0.000 0.285 1002 P C -0.715 176.778 177.300 0.322 0.000 1.285 1002 P CA -0.377 62.934 63.100 0.351 0.000 0.854 1002 P CB 2.636 34.483 31.700 0.246 0.000 1.180 1003 T N -1.238 113.504 114.554 0.313 0.000 2.853 1003 T HA 0.497 4.847 4.350 -0.000 0.000 0.311 1003 T C -1.737 173.164 174.700 0.334 0.000 1.307 1003 T CA -0.691 61.610 62.100 0.336 0.000 1.019 1003 T CB 1.258 70.411 68.868 0.474 0.000 1.264 1003 T HN 0.570 nan 8.240 nan 0.000 0.497 1004 K N 2.565 123.148 120.400 0.305 0.000 2.443 1004 K HA 0.693 5.013 4.320 -0.000 0.000 0.252 1004 K C -2.043 174.749 176.600 0.320 0.000 0.933 1004 K CA -0.773 55.677 56.287 0.271 0.000 0.792 1004 K CB 1.487 34.173 32.500 0.311 0.000 1.185 1004 K HN 0.489 nan 8.250 nan 0.000 0.425 1005 F N 2.454 122.438 119.950 0.058 0.000 2.562 1005 F HA 0.489 5.016 4.527 -0.000 0.000 0.319 1005 F C -0.118 175.585 175.800 -0.163 0.000 1.154 1005 F CA -0.431 57.569 58.000 0.000 0.000 0.931 1005 F CB 1.863 40.789 39.000 -0.123 0.000 1.198 1005 F HN 0.688 nan 8.300 nan 0.000 0.444 1006 G N 6.485 114.872 108.800 -0.688 0.000 2.403 1006 G HA2 0.447 4.407 3.960 -0.000 0.000 0.259 1006 G HA3 0.447 4.407 3.960 -0.000 0.000 0.259 1006 G C -0.856 173.286 174.900 -1.263 0.000 1.244 1006 G CA -0.427 43.559 45.100 -1.857 0.000 0.849 1006 G HN 0.497 nan 8.290 nan 0.000 0.532 1007 I N 1.273 121.295 120.570 -0.913 0.000 2.378 1007 I HA 0.576 4.745 4.170 -0.000 0.000 0.291 1007 I C 0.192 176.124 176.117 -0.309 0.000 0.992 1007 I CA -0.183 60.784 61.300 -0.554 0.000 1.154 1007 I CB 0.603 38.089 38.000 -0.857 0.000 1.315 1007 I HN 0.524 nan 8.210 nan 0.000 0.448 1008 S N 4.412 120.013 115.700 -0.165 0.000 2.799 1008 S HA 0.129 4.599 4.470 -0.000 0.000 0.267 1008 S C -0.774 173.767 174.600 -0.098 0.000 0.736 1008 S CA -0.953 57.194 58.200 -0.088 0.000 1.070 1008 S CB -0.031 63.161 63.200 -0.014 0.000 1.339 1008 S HN 0.303 nan 8.310 nan 0.000 0.507 1009 F N 2.362 122.251 119.950 -0.101 0.000 2.578 1009 F HA 0.127 4.653 4.527 -0.000 0.000 0.376 1009 F C 2.377 178.103 175.800 -0.122 0.000 1.085 1009 F CA 0.908 58.827 58.000 -0.134 0.000 1.260 1009 F CB 0.571 39.467 39.000 -0.174 0.000 1.095 1009 F HN 0.826 nan 8.300 nan 0.000 0.573 1010 T N 0.476 115.100 114.554 0.117 0.000 2.929 1010 T HA -0.138 4.212 4.350 -0.000 0.000 0.271 1010 T C 0.550 175.290 174.700 0.066 0.000 1.085 1010 T CA 0.373 62.523 62.100 0.083 0.000 1.125 1010 T CB -0.173 68.870 68.868 0.292 0.000 0.874 1010 T HN 0.267 nan 8.240 nan 0.000 0.494 1011 L N 3.002 124.238 121.223 0.021 0.000 2.259 1011 L HA 0.455 4.795 4.340 -0.000 0.000 0.288 1011 L C -2.013 174.685 176.870 -0.287 0.000 1.051 1011 L CA -2.666 52.075 54.840 -0.165 0.000 0.824 1011 L CB 1.554 43.427 42.059 -0.310 0.000 1.206 1011 L HN -0.184 nan 8.230 nan 0.000 0.429 1012 P HA -0.188 nan 4.420 nan 0.000 0.215 1012 P C 1.241 178.487 177.300 -0.090 0.000 1.153 1012 P CA 1.584 64.629 63.100 -0.091 0.000 0.853 1012 P CB -0.071 31.620 31.700 -0.015 0.000 0.788 1013 F N -1.531 118.392 119.950 -0.044 0.000 2.451 1013 F HA 0.002 4.529 4.527 -0.000 0.000 0.299 1013 F C 1.578 177.301 175.800 -0.129 0.000 1.101 1013 F CA 0.714 58.674 58.000 -0.066 0.000 1.436 1013 F CB -1.811 37.161 39.000 -0.047 0.000 1.074 1013 F HN -0.201 nan 8.300 nan 0.000 0.553 1014 L N 0.734 121.672 121.223 -0.474 0.000 2.456 1014 L HA -0.068 4.272 4.340 -0.000 0.000 0.224 1014 L C 0.587 177.234 176.870 -0.370 0.000 1.148 1014 L CA 0.500 54.994 54.840 -0.577 0.000 0.825 1014 L CB -0.757 40.550 42.059 -1.253 0.000 0.937 1014 L HN 0.180 nan 8.230 nan 0.000 0.450 1015 N N 2.503 121.143 118.700 -0.100 0.000 3.124 1015 N HA 0.083 4.823 4.740 -0.000 0.000 0.284 1015 N C -0.453 175.010 175.510 -0.079 0.000 1.209 1015 N CA 0.167 53.236 53.050 0.032 0.000 1.149 1015 N CB 0.393 38.895 38.487 0.026 0.000 1.434 1015 N HN 0.510 nan 8.380 nan 0.000 0.529 1016 Q N -0.927 118.818 119.800 -0.093 0.000 2.462 1016 Q HA 0.791 5.130 4.340 -0.000 0.000 0.285 1016 Q C -0.968 174.917 176.000 -0.193 0.000 1.035 1016 Q CA -1.321 54.336 55.803 -0.242 0.000 0.799 1016 Q CB 2.020 30.671 28.738 -0.145 0.000 1.452 1016 Q HN 0.127 nan 8.270 nan 0.000 0.404 1017 G N -0.651 107.927 108.800 -0.369 0.000 2.698 1017 G HA2 0.724 4.684 3.960 -0.000 0.000 0.293 1017 G HA3 0.724 4.684 3.960 -0.000 0.000 0.293 1017 G C -1.387 173.410 174.900 -0.171 0.000 1.437 1017 G CA -0.365 44.651 45.100 -0.141 0.000 0.852 1017 G HN 0.763 nan 8.290 nan 0.000 0.499 1018 G N -1.281 107.549 108.800 0.050 0.000 2.574 1018 G HA2 0.981 4.941 3.960 -0.000 0.000 0.299 1018 G HA3 0.981 4.941 3.960 -0.000 0.000 0.299 1018 G C -0.764 174.216 174.900 0.135 0.000 1.298 1018 G CA 0.125 45.319 45.100 0.157 0.000 0.952 1018 G HN 1.660 nan 8.290 nan 0.000 0.477 1019 A N -0.432 122.464 122.820 0.127 0.000 2.594 1019 A HA 0.856 5.176 4.320 -0.000 0.000 0.291 1019 A C -1.956 175.655 177.584 0.046 0.000 1.105 1019 A CA -0.625 51.470 52.037 0.097 0.000 0.694 1019 A CB 2.107 21.163 19.000 0.093 0.000 1.291 1019 A HN 1.677 nan 8.150 nan 0.000 0.410 1020 L N 0.606 121.820 121.223 -0.016 0.000 2.464 1020 L HA 0.822 5.162 4.340 -0.000 0.000 0.266 1020 L C -1.512 175.235 176.870 -0.205 0.000 0.965 1020 L CA -0.550 54.230 54.840 -0.099 0.000 0.833 1020 L CB 1.907 43.897 42.059 -0.116 0.000 1.296 1020 L HN 0.983 nan 8.230 nan 0.000 0.405 1021 V N 4.607 124.381 119.914 -0.234 0.000 2.789 1021 V HA 0.681 4.800 4.120 -0.000 0.000 0.311 1021 V C -1.424 174.488 176.094 -0.304 0.000 1.073 1021 V CA -0.304 61.847 62.300 -0.249 0.000 0.921 1021 V CB 1.914 33.697 31.823 -0.066 0.000 1.009 1021 V HN 0.870 nan 8.190 nan 0.000 0.426 1022 H N 4.527 123.547 119.070 -0.084 0.000 2.538 1022 H HA 0.608 5.164 4.556 -0.000 0.000 0.353 1022 H C -0.866 174.302 175.328 -0.266 0.000 1.109 1022 H CA -0.586 55.314 56.048 -0.247 0.000 1.192 1022 H CB 1.997 31.475 29.762 -0.475 0.000 1.555 1022 H HN 0.459 nan 8.280 nan 0.000 0.518 1023 V N 4.396 124.243 119.914 -0.110 0.000 2.370 1023 V HA 0.202 4.321 4.120 -0.000 0.000 0.283 1023 V C -0.194 175.757 176.094 -0.238 0.000 1.023 1023 V CA -0.824 61.435 62.300 -0.069 0.000 0.857 1023 V CB 0.146 32.014 31.823 0.075 0.000 0.985 1023 V HN 0.585 nan 8.190 nan 0.000 0.443 1024 Y N 1.985 122.325 120.300 0.067 0.000 2.299 1024 Y HA 0.179 4.728 4.550 -0.001 0.000 0.335 1024 Y C 2.127 177.981 175.900 -0.077 0.000 1.287 1024 Y CA 0.288 58.373 58.100 -0.025 0.000 1.424 1024 Y CB 0.788 39.235 38.460 -0.021 0.000 1.326 1024 Y HN 0.754 nan 8.280 nan 0.000 0.567 1025 T N -3.465 111.092 114.554 0.005 0.000 3.072 1025 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 1025 T C 0.896 175.563 174.700 -0.055 0.000 1.127 1025 T CA 0.928 62.947 62.100 -0.136 0.000 1.107 1025 T CB -0.353 68.295 68.868 -0.366 0.000 0.910 1025 T HN 0.734 nan 8.240 nan 0.000 0.513 1026 D N 1.199 121.609 120.400 0.016 0.000 2.363 1026 D HA 0.153 4.793 4.640 -0.000 0.000 0.226 1026 D C 1.712 178.064 176.300 0.087 0.000 1.020 1026 D CA 0.586 54.607 54.000 0.034 0.000 0.892 1026 D CB -0.923 39.895 40.800 0.030 0.000 0.900 1026 D HN 0.563 nan 8.370 nan 0.000 0.531 1027 G N 0.270 109.134 108.800 0.107 0.000 2.184 1027 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.264 1027 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.264 1027 G C 0.406 175.576 174.900 0.450 0.000 0.975 1027 G CA 0.619 45.872 45.100 0.255 0.000 0.642 1027 G HN 0.887 nan 8.290 nan 0.000 0.536 1028 S N -0.761 115.113 115.700 0.290 0.000 2.580 1028 S HA 0.665 5.134 4.470 -0.000 0.000 0.274 1028 S C 0.041 174.826 174.600 0.309 0.000 1.329 1028 S CA -0.082 58.278 58.200 0.268 0.000 1.036 1028 S CB 2.437 65.752 63.200 0.192 0.000 0.919 1028 S HN 1.054 nan 8.310 nan 0.000 0.515 1029 V N 3.316 123.379 119.914 0.249 0.000 2.495 1029 V HA 0.531 4.651 4.120 -0.000 0.000 0.298 1029 V C -0.576 175.641 176.094 0.206 0.000 1.031 1029 V CA -0.814 61.607 62.300 0.201 0.000 0.871 1029 V CB 1.328 33.242 31.823 0.152 0.000 0.988 1029 V HN 0.894 nan 8.190 nan 0.000 0.432 1030 L N 6.093 127.433 121.223 0.195 0.000 2.313 1030 L HA 0.755 5.094 4.340 -0.000 0.000 0.283 1030 L C -0.995 175.898 176.870 0.037 0.000 1.013 1030 L CA -0.208 54.756 54.840 0.207 0.000 0.816 1030 L CB 1.419 43.722 42.059 0.407 0.000 1.236 1030 L HN 0.627 nan 8.230 nan 0.000 0.419 1031 L N 4.457 125.684 121.223 0.006 0.000 2.346 1031 L HA 0.845 5.185 4.340 -0.000 0.000 0.274 1031 L C -0.489 176.336 176.870 -0.075 0.000 1.007 1031 L CA 0.264 55.079 54.840 -0.043 0.000 0.818 1031 L CB 2.211 44.268 42.059 -0.003 0.000 1.284 1031 L HN 0.748 nan 8.230 nan 0.000 0.424 1032 T N 3.143 117.651 114.554 -0.076 0.000 2.883 1032 T HA 0.707 5.056 4.350 -0.000 0.000 0.301 1032 T C -1.415 173.266 174.700 -0.032 0.000 1.158 1032 T CA -0.386 61.638 62.100 -0.126 0.000 1.007 1032 T CB 0.674 69.460 68.868 -0.137 0.000 1.186 1032 T HN 0.907 nan 8.240 nan 0.000 0.499 1033 H N -0.172 118.881 119.070 -0.027 0.000 2.942 1033 H HA 0.474 5.030 4.556 -0.000 0.000 0.316 1033 H C 0.905 176.248 175.328 0.024 0.000 1.323 1033 H CA -0.379 55.673 56.048 0.006 0.000 1.144 1033 H CB 1.089 30.862 29.762 0.018 0.000 1.866 1033 H HN 0.753 nan 8.280 nan 0.000 0.545 1034 G N -0.366 108.503 108.800 0.115 0.000 2.572 1034 G HA2 0.094 4.054 3.960 -0.000 0.000 0.216 1034 G HA3 0.094 4.054 3.960 -0.000 0.000 0.216 1034 G C 0.775 175.716 174.900 0.068 0.000 1.133 1034 G CA 0.352 45.481 45.100 0.049 0.000 0.791 1034 G HN 0.799 nan 8.290 nan 0.000 0.538 1035 G N 0.123 109.096 108.800 0.288 0.000 2.544 1035 G HA2 0.424 4.383 3.960 -0.000 0.000 0.242 1035 G HA3 0.424 4.383 3.960 -0.000 0.000 0.242 1035 G C 0.147 175.090 174.900 0.072 0.000 1.247 1035 G CA 0.527 45.771 45.100 0.240 0.000 0.840 1035 G HN 0.428 nan 8.290 nan 0.000 0.578 1036 T N -1.344 113.213 114.554 0.006 0.000 2.885 1036 T HA 0.549 4.899 4.350 -0.000 0.000 0.285 1036 T C -0.438 174.156 174.700 -0.177 0.000 1.019 1036 T CA -0.848 61.213 62.100 -0.065 0.000 1.010 1036 T CB 2.304 71.134 68.868 -0.064 0.000 1.022 1036 T HN 0.465 nan 8.240 nan 0.000 0.466 1037 E N 2.451 122.486 120.200 -0.275 0.000 2.229 1037 E HA 0.413 4.763 4.350 -0.000 0.000 0.283 1037 E C 0.409 176.931 176.600 -0.130 0.000 1.030 1037 E CA -0.624 55.600 56.400 -0.294 0.000 0.836 1037 E CB 0.738 30.207 29.700 -0.384 0.000 1.068 1037 E HN 0.786 nan 8.360 nan 0.000 0.401 1038 M N 2.400 121.929 119.600 -0.118 0.000 2.414 1038 M HA 0.491 4.971 4.480 -0.000 0.000 0.357 1038 M C 0.785 177.025 176.300 -0.100 0.000 1.059 1038 M CA 0.119 55.338 55.300 -0.134 0.000 0.959 1038 M CB 0.862 33.319 32.600 -0.239 0.000 1.522 1038 M HN 0.579 nan 8.290 nan 0.000 0.551 1039 G N 1.655 110.463 108.800 0.013 0.000 2.255 1039 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.196 1039 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.196 1039 G C 0.797 175.765 174.900 0.114 0.000 0.998 1039 G CA 0.319 45.463 45.100 0.073 0.000 0.656 1039 G HN 0.587 nan 8.290 nan 0.000 0.490 1040 Q N 1.668 121.491 119.800 0.038 0.000 2.482 1040 Q HA 0.315 4.655 4.340 -0.000 0.000 0.209 1040 Q C 1.562 177.573 176.000 0.019 0.000 0.961 1040 Q CA 1.346 57.162 55.803 0.023 0.000 0.945 1040 Q CB -0.463 28.257 28.738 -0.031 0.000 1.012 1040 Q HN 1.923 nan 8.270 nan 0.000 0.515 1041 G N 1.894 110.708 108.800 0.023 0.000 2.198 1041 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 1041 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 1041 G C 0.332 175.122 174.900 -0.183 0.000 1.042 1041 G CA 0.461 45.455 45.100 -0.178 0.000 0.791 1041 G HN 0.425 nan 8.290 nan 0.000 0.502 1042 L N -0.148 120.967 121.223 -0.180 0.000 2.027 1042 L HA 0.072 4.412 4.340 -0.000 0.000 0.206 1042 L C 2.573 179.391 176.870 -0.086 0.000 1.074 1042 L CA 2.754 57.506 54.840 -0.146 0.000 0.745 1042 L CB -0.458 41.513 42.059 -0.147 0.000 0.898 1042 L HN 0.397 nan 8.230 nan 0.000 0.433 1043 H N -0.921 118.119 119.070 -0.049 0.000 2.387 1043 H HA -0.081 4.474 4.556 -0.000 0.000 0.299 1043 H C 2.150 177.419 175.328 -0.098 0.000 1.090 1043 H CA 1.753 57.789 56.048 -0.019 0.000 1.332 1043 H CB -0.976 28.763 29.762 -0.038 0.000 1.386 1043 H HN 0.360 nan 8.280 nan 0.000 0.516 1044 T N 1.237 115.745 114.554 -0.076 0.000 2.684 1044 T HA -0.136 4.213 4.350 -0.000 0.000 0.267 1044 T C 2.023 176.691 174.700 -0.053 0.000 1.036 1044 T CA 1.504 63.546 62.100 -0.096 0.000 1.148 1044 T CB -0.000 68.754 68.868 -0.191 0.000 0.863 1044 T HN 0.370 nan 8.240 nan 0.000 0.436 1045 K N 0.337 120.698 120.400 -0.065 0.000 2.097 1045 K HA 0.021 4.340 4.320 -0.000 0.000 0.206 1045 K C 2.339 178.917 176.600 -0.037 0.000 1.049 1045 K CA 1.039 57.297 56.287 -0.049 0.000 0.933 1045 K CB -0.128 32.333 32.500 -0.064 0.000 0.717 1045 K HN 0.239 nan 8.250 nan 0.000 0.442 1046 M N 0.334 119.902 119.600 -0.054 0.000 2.254 1046 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 1046 M C 2.230 178.524 176.300 -0.009 0.000 1.066 1046 M CA 1.126 56.384 55.300 -0.071 0.000 1.123 1046 M CB -0.551 31.948 32.600 -0.168 0.000 1.388 1046 M HN -0.073 nan 8.290 nan 0.000 0.425 1047 V N 0.475 120.391 119.914 0.004 0.000 2.343 1047 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 1047 V C 2.381 178.478 176.094 0.005 0.000 1.051 1047 V CA 1.576 63.879 62.300 0.004 0.000 1.036 1047 V CB -0.750 31.073 31.823 -0.000 0.000 0.654 1047 V HN 0.513 nan 8.190 nan 0.000 0.451 1048 Q N -0.684 119.118 119.800 0.004 0.000 2.084 1048 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 1048 Q C 2.368 178.391 176.000 0.039 0.000 0.978 1048 Q CA 1.753 57.559 55.803 0.005 0.000 0.844 1048 Q CB -0.295 28.440 28.738 -0.004 0.000 0.898 1048 Q HN 0.529 nan 8.270 nan 0.000 0.426 1049 V N 0.833 120.799 119.914 0.086 0.000 2.295 1049 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 1049 V C 2.224 178.436 176.094 0.197 0.000 1.049 1049 V CA 1.878 64.313 62.300 0.225 0.000 1.024 1049 V CB -0.875 31.044 31.823 0.160 0.000 0.648 1049 V HN 0.409 nan 8.190 nan 0.000 0.447 1050 A N -0.698 122.175 122.820 0.088 0.000 1.930 1050 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 1050 A C 2.559 180.154 177.584 0.018 0.000 1.175 1050 A CA 2.131 54.199 52.037 0.052 0.000 0.627 1050 A CB -0.672 18.341 19.000 0.021 0.000 0.815 1050 A HN 0.520 nan 8.150 nan 0.000 0.443 1051 S N -0.493 115.205 115.700 -0.003 0.000 2.387 1051 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 1051 S C 2.217 176.791 174.600 -0.044 0.000 1.026 1051 S CA 1.357 59.524 58.200 -0.055 0.000 0.972 1051 S CB -0.395 62.774 63.200 -0.051 0.000 0.814 1051 S HN 0.633 nan 8.310 nan 0.000 0.477 1052 R N 0.571 121.064 120.500 -0.012 0.000 2.073 1052 R HA -0.015 4.325 4.340 -0.000 0.000 0.234 1052 R C 2.384 178.712 176.300 0.046 0.000 1.134 1052 R CA 1.484 57.561 56.100 -0.038 0.000 0.952 1052 R CB -0.813 29.368 30.300 -0.198 0.000 0.850 1052 R HN 0.470 nan 8.270 nan 0.000 0.433 1053 A N 1.002 123.909 122.820 0.144 0.000 1.898 1053 A HA -0.076 4.243 4.320 -0.000 0.000 0.216 1053 A C 2.147 179.754 177.584 0.037 0.000 1.181 1053 A CA 1.153 53.279 52.037 0.149 0.000 0.620 1053 A CB -0.394 18.671 19.000 0.107 0.000 0.819 1053 A HN 0.371 nan 8.150 nan 0.000 0.442 1054 L N -1.535 119.688 121.223 -0.000 0.000 2.492 1054 L HA 0.038 4.378 4.340 -0.000 0.000 0.223 1054 L C 0.176 177.009 176.870 -0.062 0.000 1.132 1054 L CA 0.348 55.169 54.840 -0.030 0.000 0.850 1054 L CB -0.220 41.754 42.059 -0.142 0.000 0.966 1054 L HN 0.338 nan 8.230 nan 0.000 0.454 1055 K N 1.477 121.843 120.400 -0.056 0.000 3.150 1055 K HA -0.183 4.137 4.320 -0.000 0.000 0.267 1055 K C -0.386 176.125 176.600 -0.148 0.000 1.028 1055 K CA 0.628 56.886 56.287 -0.049 0.000 0.753 1055 K CB -1.897 30.634 32.500 0.051 0.000 1.288 1055 K HN 0.533 nan 8.250 nan 0.000 0.473 1056 I N -4.449 115.959 120.570 -0.271 0.000 3.174 1056 I HA 0.670 4.840 4.170 -0.000 0.000 0.313 1056 I C -2.668 173.313 176.117 -0.227 0.000 1.155 1056 I CA -3.119 57.961 61.300 -0.366 0.000 0.977 1056 I CB 2.449 39.984 38.000 -0.775 0.000 1.248 1056 I HN -0.281 nan 8.210 nan 0.000 0.453 1057 P HA 0.119 nan 4.420 nan 0.000 0.274 1057 P C 0.760 178.003 177.300 -0.094 0.000 1.237 1057 P CA -0.104 62.931 63.100 -0.108 0.000 0.793 1057 P CB 0.674 32.327 31.700 -0.078 0.000 0.977 1058 T N -2.441 112.081 114.554 -0.053 0.000 2.849 1058 T HA -0.165 4.185 4.350 -0.000 0.000 0.270 1058 T C 1.684 176.378 174.700 -0.009 0.000 1.066 1058 T CA 1.743 63.826 62.100 -0.028 0.000 1.130 1058 T CB -1.280 67.583 68.868 -0.008 0.000 0.864 1058 T HN 0.462 nan 8.240 nan 0.000 0.481 1059 S N 1.727 117.421 115.700 -0.010 0.000 2.442 1059 S HA -0.038 4.431 4.470 -0.000 0.000 0.236 1059 S C 1.793 176.401 174.600 0.013 0.000 1.007 1059 S CA 0.616 58.822 58.200 0.009 0.000 0.965 1059 S CB -0.490 62.711 63.200 0.003 0.000 0.773 1059 S HN 0.622 nan 8.310 nan 0.000 0.504 1060 K N 0.362 120.752 120.400 -0.017 0.000 2.444 1060 K HA 0.364 4.684 4.320 -0.000 0.000 0.193 1060 K C -0.191 176.433 176.600 0.040 0.000 1.024 1060 K CA 0.197 56.482 56.287 -0.003 0.000 1.077 1060 K CB 0.051 32.504 32.500 -0.078 0.000 0.833 1060 K HN 0.459 nan 8.250 nan 0.000 0.517 1061 I N -0.113 120.485 120.570 0.047 0.000 2.569 1061 I HA 0.224 4.394 4.170 -0.000 0.000 0.296 1061 I C -0.861 175.339 176.117 0.138 0.000 1.028 1061 I CA -1.117 60.228 61.300 0.075 0.000 1.082 1061 I CB 1.782 39.794 38.000 0.021 0.000 1.264 1061 I HN -0.030 nan 8.210 nan 0.000 0.429 1062 H N 5.494 124.581 119.070 0.028 0.000 2.806 1062 H HA 0.646 5.201 4.556 -0.000 0.000 0.367 1062 H C -1.591 173.729 175.328 -0.013 0.000 1.136 1062 H CA -0.413 55.643 56.048 0.013 0.000 1.178 1062 H CB 1.748 31.528 29.762 0.030 0.000 1.718 1062 H HN 0.418 nan 8.280 nan 0.000 0.540 1063 I N 3.646 123.860 120.570 -0.593 0.000 2.406 1063 I HA 0.172 4.341 4.170 -0.000 0.000 0.290 1063 I C 0.565 176.266 176.117 -0.695 0.000 0.999 1063 I CA -0.275 60.711 61.300 -0.522 0.000 1.124 1063 I CB 2.021 39.701 38.000 -0.533 0.000 1.289 1063 I HN 0.659 nan 8.210 nan 0.000 0.441 1064 S N 5.029 120.519 115.700 -0.351 0.000 2.468 1064 S HA 0.175 4.644 4.470 -0.000 0.000 0.226 1064 S C 0.275 174.796 174.600 -0.131 0.000 1.051 1064 S CA 0.439 58.550 58.200 -0.148 0.000 0.943 1064 S CB 0.267 63.517 63.200 0.084 0.000 0.810 1064 S HN 0.814 nan 8.310 nan 0.000 0.509 1065 E N -1.111 118.984 120.200 -0.176 0.000 2.432 1065 E HA 0.368 4.718 4.350 -0.000 0.000 0.279 1065 E C -1.696 174.819 176.600 -0.142 0.000 1.099 1065 E CA -1.008 55.333 56.400 -0.098 0.000 0.859 1065 E CB 0.629 30.320 29.700 -0.015 0.000 1.402 1065 E HN -0.033 nan 8.360 nan 0.000 0.451 1066 T N 1.184 115.690 114.554 -0.080 0.000 2.797 1066 T HA 0.666 5.016 4.350 -0.000 0.000 0.279 1066 T C -0.970 173.681 174.700 -0.082 0.000 0.991 1066 T CA -0.488 61.546 62.100 -0.110 0.000 0.979 1066 T CB 1.193 70.014 68.868 -0.078 0.000 0.943 1066 T HN 0.598 nan 8.240 nan 0.000 0.444 1067 S N 0.243 115.894 115.700 -0.083 0.000 2.536 1067 S HA 0.394 4.863 4.470 -0.000 0.000 0.271 1067 S C 1.008 175.569 174.600 -0.065 0.000 1.134 1067 S CA -0.724 57.430 58.200 -0.078 0.000 0.897 1067 S CB 1.348 64.507 63.200 -0.067 0.000 1.094 1067 S HN 0.709 nan 8.310 nan 0.000 0.473 1068 T N -0.890 113.620 114.554 -0.073 0.000 3.035 1068 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 1068 T C 1.122 175.797 174.700 -0.043 0.000 1.109 1068 T CA 1.299 63.363 62.100 -0.059 0.000 1.119 1068 T CB -0.770 68.056 68.868 -0.071 0.000 0.900 1068 T HN 0.743 nan 8.240 nan 0.000 0.503 1069 N N 1.476 120.151 118.700 -0.041 0.000 2.336 1069 N HA 0.003 4.743 4.740 -0.000 0.000 0.189 1069 N C 1.314 176.824 175.510 -0.001 0.000 1.113 1069 N CA 0.820 53.857 53.050 -0.021 0.000 0.858 1069 N CB -0.325 38.149 38.487 -0.022 0.000 0.970 1069 N HN 0.643 nan 8.380 nan 0.000 0.471 1070 T N -3.418 111.134 114.554 -0.004 0.000 3.056 1070 T HA 0.286 4.636 4.350 -0.000 0.000 0.243 1070 T C 0.361 175.064 174.700 0.005 0.000 0.995 1070 T CA 0.020 62.127 62.100 0.012 0.000 1.091 1070 T CB -0.039 68.833 68.868 0.007 0.000 0.990 1070 T HN -0.103 nan 8.240 nan 0.000 0.464 1071 V N 4.527 124.438 119.914 -0.005 0.000 2.482 1071 V HA 0.525 4.644 4.120 -0.000 0.000 0.295 1071 V C -2.571 173.528 176.094 0.009 0.000 1.026 1071 V CA -2.021 60.288 62.300 0.016 0.000 0.856 1071 V CB 2.070 33.909 31.823 0.027 0.000 1.001 1071 V HN 0.308 nan 8.190 nan 0.000 0.424 1072 P HA 0.366 nan 4.420 nan 0.000 0.280 1072 P C -0.308 177.000 177.300 0.014 0.000 1.272 1072 P CA -0.337 62.763 63.100 -0.001 0.000 0.819 1072 P CB 0.608 32.303 31.700 -0.008 0.000 1.122 1073 N N -2.096 116.599 118.700 -0.009 0.000 2.740 1073 N HA -0.113 4.627 4.740 -0.000 0.000 0.248 1073 N C -0.109 175.411 175.510 0.017 0.000 1.062 1073 N CA 1.210 54.258 53.050 -0.004 0.000 0.704 1073 N CB -2.491 35.998 38.487 0.004 0.000 0.968 1073 N HN 0.653 nan 8.380 nan 0.000 0.547 1074 T N -3.126 111.426 114.554 -0.004 0.000 2.909 1074 T HA 0.549 4.899 4.350 -0.000 0.000 0.289 1074 T C 0.748 175.425 174.700 -0.038 0.000 1.005 1074 T CA -0.625 61.475 62.100 0.001 0.000 1.084 1074 T CB 1.923 70.792 68.868 0.002 0.000 0.975 1074 T HN 0.090 nan 8.240 nan 0.000 0.509 1075 S N 3.420 119.087 115.700 -0.055 0.000 2.614 1075 S HA 0.393 4.863 4.470 -0.000 0.000 0.265 1075 S C -1.951 172.616 174.600 -0.056 0.000 1.303 1075 S CA -0.942 57.170 58.200 -0.147 0.000 1.000 1075 S CB 0.081 63.110 63.200 -0.286 0.000 0.935 1075 S HN 0.740 nan 8.310 nan 0.000 0.551 1076 P HA 0.070 nan 4.420 nan 0.000 0.270 1076 P C -0.775 176.602 177.300 0.129 0.000 1.223 1076 P CA -0.176 62.944 63.100 0.035 0.000 0.785 1076 P CB 0.066 31.800 31.700 0.057 0.000 0.923 1077 T N 1.384 115.975 114.554 0.062 0.000 2.776 1077 T HA 0.515 4.865 4.350 -0.000 0.000 0.292 1077 T C 0.176 174.897 174.700 0.036 0.000 0.921 1077 T CA 0.326 62.456 62.100 0.051 0.000 1.038 1077 T CB -0.560 68.305 68.868 -0.006 0.000 0.910 1077 T HN 0.644 nan 8.240 nan 0.000 0.536 1078 A N 2.290 125.136 122.820 0.044 0.000 2.540 1078 A HA 0.810 5.130 4.320 -0.000 0.000 0.291 1078 A C 0.383 177.753 177.584 -0.358 0.000 1.083 1078 A CA -0.295 51.704 52.037 -0.063 0.000 0.650 1078 A CB 0.110 19.151 19.000 0.069 0.000 1.292 1078 A HN 1.606 nan 8.150 nan 0.000 0.435 1079 A N -0.612 121.931 122.820 -0.461 0.000 2.887 1079 A HA 0.105 4.424 4.320 -0.000 0.000 0.257 1079 A C 1.271 178.627 177.584 -0.380 0.000 1.372 1079 A CA 1.671 53.320 52.037 -0.647 0.000 0.879 1079 A CB -2.525 15.574 19.000 -1.502 0.000 1.082 1079 A HN 2.541 nan 8.150 nan 0.000 0.703 1080 S N -4.206 111.358 115.700 -0.227 0.000 3.017 1080 S HA -0.339 4.130 4.470 -0.000 0.000 0.283 1080 S C 1.275 175.800 174.600 -0.126 0.000 1.304 1080 S CA 2.010 60.121 58.200 -0.148 0.000 1.224 1080 S CB -1.800 61.315 63.200 -0.142 0.000 1.480 1080 S HN 2.520 nan 8.310 nan 0.000 0.698 1081 A N 0.040 122.757 122.820 -0.170 0.000 2.308 1081 A HA 0.483 4.802 4.320 -0.000 0.000 0.217 1081 A C 1.777 179.349 177.584 -0.021 0.000 1.216 1081 A CA 0.827 52.806 52.037 -0.097 0.000 0.864 1081 A CB -0.103 18.802 19.000 -0.158 0.000 0.902 1081 A HN 0.468 nan 8.150 nan 0.000 0.499 1082 S N 0.300 115.985 115.700 -0.024 0.000 2.406 1082 S HA 0.000 4.470 4.470 -0.000 0.000 0.228 1082 S C 2.155 176.733 174.600 -0.037 0.000 1.020 1082 S CA 1.042 59.246 58.200 0.007 0.000 0.965 1082 S CB -0.134 63.074 63.200 0.015 0.000 0.798 1082 S HN 0.756 nan 8.310 nan 0.000 0.488 1083 A N 1.791 124.577 122.820 -0.057 0.000 1.970 1083 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 1083 A C 1.694 179.219 177.584 -0.097 0.000 1.170 1083 A CA 1.248 53.230 52.037 -0.091 0.000 0.645 1083 A CB -0.455 18.501 19.000 -0.074 0.000 0.816 1083 A HN 0.306 nan 8.150 nan 0.000 0.447 1084 D N 0.312 120.679 120.400 -0.055 0.000 2.084 1084 D HA -0.120 4.519 4.640 -0.000 0.000 0.194 1084 D C 1.927 178.141 176.300 -0.144 0.000 0.990 1084 D CA 1.210 55.168 54.000 -0.071 0.000 0.826 1084 D CB -0.262 40.568 40.800 0.049 0.000 0.971 1084 D HN 0.442 nan 8.370 nan 0.000 0.453 1085 L N 0.075 121.274 121.223 -0.040 0.000 2.023 1085 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 1085 L C 1.863 178.699 176.870 -0.057 0.000 1.073 1085 L CA 1.082 55.937 54.840 0.026 0.000 0.745 1085 L CB -0.430 41.687 42.059 0.096 0.000 0.900 1085 L HN -0.034 nan 8.230 nan 0.000 0.435 1086 N N 0.033 118.693 118.700 -0.067 0.000 2.331 1086 N HA -0.102 4.637 4.740 -0.000 0.000 0.180 1086 N C 1.853 177.263 175.510 -0.167 0.000 1.019 1086 N CA 1.011 54.001 53.050 -0.100 0.000 0.881 1086 N CB -0.211 38.177 38.487 -0.164 0.000 0.972 1086 N HN 0.309 nan 8.380 nan 0.000 0.435 1087 G N 0.585 109.268 108.800 -0.197 0.000 2.408 1087 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 1087 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 1087 G C 1.455 176.229 174.900 -0.211 0.000 1.150 1087 G CA 0.416 45.401 45.100 -0.192 0.000 0.776 1087 G HN 0.180 nan 8.290 nan 0.000 0.542 1088 Q N 0.548 120.146 119.800 -0.336 0.000 2.084 1088 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 1088 Q C 2.809 178.764 176.000 -0.076 0.000 0.978 1088 Q CA 1.433 57.014 55.803 -0.369 0.000 0.844 1088 Q CB -0.887 27.294 28.738 -0.928 0.000 0.898 1088 Q HN 0.441 nan 8.270 nan 0.000 0.426 1089 G N 0.635 109.409 108.800 -0.044 0.000 2.446 1089 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.217 1089 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.217 1089 G C 1.657 176.592 174.900 0.059 0.000 1.168 1089 G CA 1.098 46.227 45.100 0.047 0.000 0.771 1089 G HN 0.253 nan 8.290 nan 0.000 0.551 1090 V N 0.046 119.974 119.914 0.024 0.000 2.287 1090 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 1090 V C 2.309 178.436 176.094 0.054 0.000 1.053 1090 V CA 2.056 64.374 62.300 0.030 0.000 1.027 1090 V CB -0.754 31.065 31.823 -0.007 0.000 0.646 1090 V HN 0.517 nan 8.190 nan 0.000 0.447 1091 Y N 1.202 121.453 120.300 -0.082 0.000 2.128 1091 Y HA -0.241 4.308 4.550 -0.000 0.000 0.284 1091 Y C 2.622 178.509 175.900 -0.022 0.000 1.154 1091 Y CA 2.109 60.163 58.100 -0.076 0.000 1.149 1091 Y CB -0.121 38.217 38.460 -0.203 0.000 0.976 1091 Y HN 0.269 nan 8.280 nan 0.000 0.505 1092 E N 0.368 120.632 120.200 0.107 0.000 2.072 1092 E HA -0.177 4.172 4.350 -0.000 0.000 0.191 1092 E C 2.460 179.057 176.600 -0.005 0.000 0.985 1092 E CA 1.075 57.506 56.400 0.052 0.000 0.801 1092 E CB -0.769 29.023 29.700 0.154 0.000 0.750 1092 E HN 0.590 nan 8.360 nan 0.000 0.452 1093 A N 0.968 123.800 122.820 0.022 0.000 1.908 1093 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 1093 A C 2.620 180.196 177.584 -0.013 0.000 1.181 1093 A CA 1.553 53.599 52.037 0.014 0.000 0.627 1093 A CB -0.941 18.071 19.000 0.021 0.000 0.818 1093 A HN 0.342 nan 8.150 nan 0.000 0.445 1094 C N -0.988 118.284 119.300 -0.047 0.000 2.440 1094 C HA -0.067 4.393 4.460 -0.000 0.000 0.278 1094 C C 2.860 177.799 174.990 -0.085 0.000 1.295 1094 C CA 1.020 60.012 59.018 -0.043 0.000 1.738 1094 C CB -0.998 26.702 27.740 -0.066 0.000 1.987 1094 C HN 0.594 nan 8.230 nan 0.000 0.492 1095 Q N 0.453 120.129 119.800 -0.206 0.000 2.124 1095 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 1095 Q C 2.222 178.184 176.000 -0.064 0.000 0.977 1095 Q CA 1.825 57.515 55.803 -0.187 0.000 0.850 1095 Q CB -1.082 27.501 28.738 -0.259 0.000 0.901 1095 Q HN 0.642 nan 8.270 nan 0.000 0.429 1096 T N 1.770 116.304 114.554 -0.034 0.000 2.708 1096 T HA -0.079 4.270 4.350 -0.000 0.000 0.266 1096 T C 1.877 176.590 174.700 0.021 0.000 1.037 1096 T CA 0.773 62.875 62.100 0.003 0.000 1.146 1096 T CB -0.055 68.823 68.868 0.017 0.000 0.865 1096 T HN 0.113 nan 8.240 nan 0.000 0.435 1097 I N 1.155 121.748 120.570 0.038 0.000 2.226 1097 I HA -0.080 4.089 4.170 -0.000 0.000 0.245 1097 I C 2.345 178.510 176.117 0.081 0.000 1.100 1097 I CA 1.255 62.598 61.300 0.072 0.000 1.374 1097 I CB -1.227 36.846 38.000 0.122 0.000 1.057 1097 I HN 0.279 nan 8.210 nan 0.000 0.413 1098 L N 0.207 121.476 121.223 0.075 0.000 2.093 1098 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 1098 L C 2.593 179.476 176.870 0.022 0.000 1.085 1098 L CA 1.164 56.049 54.840 0.075 0.000 0.755 1098 L CB -0.522 41.567 42.059 0.051 0.000 0.904 1098 L HN 0.267 nan 8.230 nan 0.000 0.435 1099 K N 0.425 120.830 120.400 0.009 0.000 2.097 1099 K HA -0.180 4.139 4.320 -0.000 0.000 0.206 1099 K C 2.223 178.825 176.600 0.003 0.000 1.049 1099 K CA 1.270 57.554 56.287 -0.005 0.000 0.933 1099 K CB 0.067 32.565 32.500 -0.003 0.000 0.717 1099 K HN 0.244 nan 8.250 nan 0.000 0.442 1100 R N 0.118 120.638 120.500 0.032 0.000 2.148 1100 R HA -0.030 4.310 4.340 -0.000 0.000 0.227 1100 R C 2.104 178.484 176.300 0.133 0.000 1.103 1100 R CA 0.855 56.996 56.100 0.068 0.000 0.983 1100 R CB -0.041 30.301 30.300 0.071 0.000 0.874 1100 R HN 0.237 nan 8.270 nan 0.000 0.451 1101 L N 0.856 122.135 121.223 0.094 0.000 2.529 1101 L HA -0.015 4.325 4.340 -0.000 0.000 0.223 1101 L C 2.292 179.150 176.870 -0.020 0.000 1.113 1101 L CA 0.308 55.231 54.840 0.139 0.000 0.861 1101 L CB -0.261 41.810 42.059 0.019 0.000 1.012 1101 L HN 0.281 nan 8.230 nan 0.000 0.461 1102 E N 0.961 121.104 120.200 -0.095 0.000 2.085 1102 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 1102 E C -0.859 175.583 176.600 -0.264 0.000 0.994 1102 E CA 0.960 57.244 56.400 -0.193 0.000 0.801 1102 E CB -1.466 28.155 29.700 -0.131 0.000 0.743 1102 E HN 0.347 nan 8.360 nan 0.000 0.453 1103 P HA -0.095 nan 4.420 nan 0.000 0.220 1103 P C 0.795 177.760 177.300 -0.559 0.000 1.148 1103 P CA 1.085 63.901 63.100 -0.474 0.000 0.803 1103 P CB -0.168 31.132 31.700 -0.667 0.000 0.782 1104 F N 0.016 119.839 119.950 -0.213 0.000 2.234 1104 F HA 0.012 4.539 4.527 -0.000 0.000 0.296 1104 F C 2.444 177.998 175.800 -0.409 0.000 1.089 1104 F CA 0.976 58.859 58.000 -0.195 0.000 1.343 1104 F CB -0.577 38.359 39.000 -0.106 0.000 1.040 1104 F HN -0.192 nan 8.300 nan 0.000 0.498 1105 K N 1.161 121.146 120.400 -0.692 0.000 2.057 1105 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 1105 K C 2.211 178.612 176.600 -0.332 0.000 1.050 1105 K CA 1.336 56.990 56.287 -1.054 0.000 0.935 1105 K CB -0.102 31.646 32.500 -1.254 0.000 0.715 1105 K HN 0.124 nan 8.250 nan 0.000 0.439 1106 K N 0.995 121.242 120.400 -0.255 0.000 2.002 1106 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 1106 K C 1.918 178.484 176.600 -0.058 0.000 1.048 1106 K CA 1.684 57.893 56.287 -0.130 0.000 0.930 1106 K CB 0.028 32.444 32.500 -0.141 0.000 0.714 1106 K HN 0.047 nan 8.250 nan 0.000 0.438 1107 K N 0.218 120.581 120.400 -0.062 0.000 2.160 1107 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 1107 K C 0.780 177.436 176.600 0.094 0.000 1.047 1107 K CA 1.122 57.416 56.287 0.012 0.000 0.930 1107 K CB 0.010 32.523 32.500 0.022 0.000 0.720 1107 K HN 0.016 nan 8.250 nan 0.000 0.450 1108 K N 0.011 120.515 120.400 0.173 0.000 3.029 1108 K HA 0.145 4.465 4.320 -0.000 0.000 0.169 1108 K C -2.436 174.428 176.600 0.440 0.000 1.090 1108 K CA -1.258 55.210 56.287 0.302 0.000 0.883 1108 K CB 1.269 34.010 32.500 0.401 0.000 1.080 1108 K HN -0.226 nan 8.250 nan 0.000 0.613 1109 P HA -0.117 nan 4.420 nan 0.000 0.225 1109 P C 0.877 178.398 177.300 0.368 0.000 1.148 1109 P CA 1.128 64.394 63.100 0.277 0.000 0.779 1109 P CB 0.289 32.075 31.700 0.144 0.000 0.780 1110 T N -5.346 109.379 114.554 0.285 0.000 2.971 1110 T HA 0.272 4.622 4.350 -0.000 0.000 0.252 1110 T C 1.080 175.832 174.700 0.086 0.000 1.022 1110 T CA -0.006 62.210 62.100 0.194 0.000 0.980 1110 T CB -0.632 68.302 68.868 0.109 0.000 1.044 1110 T HN -0.005 nan 8.240 nan 0.000 0.501 1111 G N 3.515 112.367 108.800 0.087 0.000 2.527 1111 G HA2 0.532 4.491 3.960 -0.000 0.000 0.248 1111 G HA3 0.532 4.491 3.960 -0.000 0.000 0.248 1111 G C -2.429 172.245 174.900 -0.376 0.000 1.231 1111 G CA -1.144 43.915 45.100 -0.069 0.000 0.838 1111 G HN 0.264 nan 8.290 nan 0.000 0.570 1112 P HA -0.054 nan 4.420 nan 0.000 0.275 1112 P C 0.884 177.703 177.300 -0.801 0.000 1.266 1112 P CA -0.683 62.140 63.100 -0.463 0.000 0.793 1112 P CB 0.916 32.492 31.700 -0.206 0.000 1.074 1113 W N 1.257 122.076 121.300 -0.801 0.000 2.305 1113 W HA -0.229 4.431 4.660 -0.000 0.000 0.308 1113 W C 1.174 177.510 176.519 -0.305 0.000 1.226 1113 W CA 2.018 59.005 57.345 -0.596 0.000 1.253 1113 W CB -0.564 28.758 29.460 -0.230 0.000 1.146 1113 W HN 0.339 nan 8.180 nan 0.000 0.507 1114 E N 0.610 120.721 120.200 -0.149 0.000 2.153 1114 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 1114 E C 2.386 178.862 176.600 -0.207 0.000 0.988 1114 E CA 2.040 58.353 56.400 -0.145 0.000 0.811 1114 E CB -0.862 28.820 29.700 -0.030 0.000 0.746 1114 E HN 0.298 nan 8.360 nan 0.000 0.466 1115 A N 0.105 122.778 122.820 -0.245 0.000 1.929 1115 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 1115 A C 1.637 179.180 177.584 -0.069 0.000 1.176 1115 A CA 0.896 52.841 52.037 -0.153 0.000 0.628 1115 A CB -0.738 18.185 19.000 -0.130 0.000 0.816 1115 A HN 0.281 nan 8.150 nan 0.000 0.444 1116 W N 0.111 121.315 121.300 -0.161 0.000 2.358 1116 W HA -0.077 4.582 4.660 -0.001 0.000 0.303 1116 W C 2.227 178.486 176.519 -0.433 0.000 1.208 1116 W CA 0.975 58.197 57.345 -0.206 0.000 1.274 1116 W CB -1.384 27.974 29.460 -0.171 0.000 1.138 1116 W HN 0.175 nan 8.180 nan 0.000 0.515 1117 V N 0.552 120.292 119.914 -0.289 0.000 2.307 1117 V HA -0.323 3.796 4.120 -0.000 0.000 0.245 1117 V C 2.248 178.199 176.094 -0.239 0.000 1.045 1117 V CA 2.200 64.272 62.300 -0.379 0.000 1.024 1117 V CB -0.975 30.541 31.823 -0.512 0.000 0.651 1117 V HN 0.039 nan 8.190 nan 0.000 0.449 1118 M N 0.568 120.068 119.600 -0.167 0.000 2.159 1118 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 1118 M C 1.631 177.875 176.300 -0.092 0.000 1.063 1118 M CA 1.739 57.003 55.300 -0.060 0.000 1.110 1118 M CB -0.783 31.796 32.600 -0.035 0.000 1.374 1118 M HN 0.308 nan 8.290 nan 0.000 0.411 1119 D N 0.197 120.487 120.400 -0.183 0.000 2.123 1119 D HA -0.105 4.534 4.640 -0.000 0.000 0.196 1119 D C 1.983 177.880 176.300 -0.671 0.000 0.992 1119 D CA 1.764 55.598 54.000 -0.277 0.000 0.833 1119 D CB -0.465 40.264 40.800 -0.118 0.000 0.954 1119 D HN 0.500 nan 8.370 nan 0.000 0.455 1120 A N 0.173 122.377 122.820 -1.028 0.000 1.898 1120 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 1120 A C 2.199 179.584 177.584 -0.332 0.000 1.181 1120 A CA 1.272 52.707 52.037 -1.003 0.000 0.620 1120 A CB -1.007 17.577 19.000 -0.694 0.000 0.819 1120 A HN 0.330 nan 8.150 nan 0.000 0.442 1121 Y N 1.959 122.086 120.300 -0.289 0.000 2.145 1121 Y HA -0.206 4.343 4.550 -0.001 0.000 0.286 1121 Y C 2.707 178.545 175.900 -0.104 0.000 1.145 1121 Y CA 2.420 60.430 58.100 -0.149 0.000 1.148 1121 Y CB -0.829 37.560 38.460 -0.118 0.000 0.981 1121 Y HN 0.399 nan 8.280 nan 0.000 0.507 1122 T N -3.246 111.127 114.554 -0.302 0.000 3.085 1122 T HA -0.013 4.337 4.350 -0.000 0.000 0.263 1122 T C 1.627 176.201 174.700 -0.209 0.000 1.127 1122 T CA 1.000 62.909 62.100 -0.317 0.000 1.103 1122 T CB -0.503 68.297 68.868 -0.114 0.000 0.921 1122 T HN 0.254 nan 8.240 nan 0.000 0.510 1123 S N 1.131 116.744 115.700 -0.146 0.000 2.593 1123 S HA 0.584 5.054 4.470 -0.000 0.000 0.217 1123 S C 1.120 175.689 174.600 -0.051 0.000 0.966 1123 S CA 0.192 58.379 58.200 -0.022 0.000 0.914 1123 S CB -0.366 62.950 63.200 0.194 0.000 0.776 1123 S HN 1.020 nan 8.310 nan 0.000 0.523 1124 A N 0.755 123.475 122.820 -0.166 0.000 2.578 1124 A HA -0.125 4.195 4.320 -0.000 0.000 0.298 1124 A C 0.059 177.621 177.584 -0.037 0.000 1.472 1124 A CA 0.165 52.124 52.037 -0.131 0.000 0.734 1124 A CB -2.120 16.813 19.000 -0.111 0.000 1.091 1124 A HN 0.300 nan 8.150 nan 0.000 0.426 1125 V N 1.043 120.947 119.914 -0.016 0.000 2.513 1125 V HA 0.619 4.738 4.120 -0.000 0.000 0.299 1125 V C 0.986 177.096 176.094 0.027 0.000 1.035 1125 V CA 0.076 62.396 62.300 0.034 0.000 0.889 1125 V CB 1.867 33.741 31.823 0.086 0.000 0.988 1125 V HN 1.110 nan 8.190 nan 0.000 0.440 1126 S N 4.105 119.825 115.700 0.034 0.000 2.549 1126 S HA 0.347 4.817 4.470 -0.000 0.000 0.283 1126 S C 0.248 174.867 174.600 0.032 0.000 1.320 1126 S CA -0.236 57.985 58.200 0.036 0.000 1.058 1126 S CB 0.149 63.369 63.200 0.033 0.000 0.882 1126 S HN 0.598 nan 8.310 nan 0.000 0.498 1127 L N 3.902 125.140 121.223 0.026 0.000 3.110 1127 L HA 0.350 4.690 4.340 -0.000 0.000 0.266 1127 L C 0.352 177.239 176.870 0.029 0.000 1.257 1127 L CA -0.195 54.650 54.840 0.009 0.000 1.038 1127 L CB 0.525 42.568 42.059 -0.026 0.000 1.395 1127 L HN 0.523 nan 8.230 nan 0.000 0.566 1128 S N 0.448 116.184 115.700 0.060 0.000 2.526 1128 S HA 0.899 5.369 4.470 -0.000 0.000 0.293 1128 S C -0.842 173.807 174.600 0.082 0.000 1.092 1128 S CA -0.306 57.972 58.200 0.130 0.000 0.980 1128 S CB 1.888 65.204 63.200 0.193 0.000 1.048 1128 S HN 0.215 nan 8.310 nan 0.000 0.483 1129 A N 2.277 125.132 122.820 0.058 0.000 2.574 1129 A HA 0.764 5.084 4.320 -0.000 0.000 0.297 1129 A C -0.199 177.400 177.584 0.024 0.000 1.062 1129 A CA -0.676 51.384 52.037 0.039 0.000 0.686 1129 A CB 1.161 20.180 19.000 0.033 0.000 1.285 1129 A HN 0.936 nan 8.150 nan 0.000 0.403 1130 T N -0.692 113.885 114.554 0.038 0.000 2.927 1130 T HA 0.807 5.157 4.350 -0.000 0.000 0.281 1130 T C 0.330 175.074 174.700 0.072 0.000 0.998 1130 T CA -0.081 62.049 62.100 0.049 0.000 1.019 1130 T CB 1.733 70.635 68.868 0.057 0.000 1.061 1130 T HN 1.830 nan 8.240 nan 0.000 0.518 1131 G N -0.155 108.710 108.800 0.107 0.000 2.659 1131 G HA2 0.660 4.620 3.960 -0.000 0.000 0.296 1131 G HA3 0.660 4.620 3.960 -0.000 0.000 0.296 1131 G C -2.113 172.936 174.900 0.249 0.000 1.369 1131 G CA -0.871 44.316 45.100 0.146 0.000 0.937 1131 G HN 0.768 nan 8.290 nan 0.000 0.485 1132 F N 0.703 120.705 119.950 0.086 0.000 2.654 1132 F HA 0.749 5.276 4.527 -0.000 0.000 0.308 1132 F C -2.061 173.843 175.800 0.173 0.000 1.108 1132 F CA -1.114 56.947 58.000 0.100 0.000 0.957 1132 F CB 2.293 41.325 39.000 0.053 0.000 1.309 1132 F HN 0.630 nan 8.300 nan 0.000 0.446 1133 Y N 4.152 123.992 120.300 -0.767 0.000 2.513 1133 Y HA 0.552 5.101 4.550 -0.000 0.000 0.340 1133 Y C -1.867 173.639 175.900 -0.656 0.000 1.055 1133 Y CA -1.063 56.770 58.100 -0.445 0.000 1.020 1133 Y CB 1.688 39.993 38.460 -0.257 0.000 1.301 1133 Y HN 0.649 nan 8.280 nan 0.000 0.453 1134 K N 2.509 122.252 120.400 -1.095 0.000 2.422 1134 K HA 0.656 4.976 4.320 -0.000 0.000 0.251 1134 K C -1.374 174.497 176.600 -1.215 0.000 0.933 1134 K CA -0.935 54.834 56.287 -0.864 0.000 0.798 1134 K CB 1.951 34.276 32.500 -0.292 0.000 1.238 1134 K HN 0.528 nan 8.250 nan 0.000 0.428 1135 T N 4.497 118.604 114.554 -0.745 0.000 2.870 1135 T HA 0.213 4.563 4.350 -0.000 0.000 0.300 1135 T C -2.040 172.443 174.700 -0.362 0.000 0.989 1135 T CA -0.779 60.994 62.100 -0.545 0.000 1.139 1135 T CB 0.434 69.102 68.868 -0.333 0.000 0.920 1135 T HN 0.522 nan 8.240 nan 0.000 0.537 1136 P HA 0.333 nan 4.420 nan 0.000 0.282 1136 P C -0.174 177.101 177.300 -0.042 0.000 1.259 1136 P CA -0.581 62.450 63.100 -0.117 0.000 0.826 1136 P CB 0.525 32.201 31.700 -0.041 0.000 1.064 1137 N N -1.335 117.356 118.700 -0.015 0.000 2.776 1137 N HA -0.130 4.610 4.740 -0.000 0.000 0.250 1137 N C -0.522 174.994 175.510 0.010 0.000 1.112 1137 N CA 0.795 53.855 53.050 0.016 0.000 0.733 1137 N CB -1.963 36.556 38.487 0.053 0.000 1.097 1137 N HN 0.447 nan 8.380 nan 0.000 0.558 1138 L N -0.143 121.068 121.223 -0.020 0.000 2.344 1138 L HA 0.767 5.107 4.340 -0.000 0.000 0.272 1138 L C 1.015 177.866 176.870 -0.031 0.000 1.035 1138 L CA -0.429 54.387 54.840 -0.040 0.000 0.807 1138 L CB 1.841 43.857 42.059 -0.072 0.000 1.237 1138 L HN 0.205 nan 8.230 nan 0.000 0.442 1139 G N 1.288 110.065 108.800 -0.038 0.000 1.968 1139 G HA2 0.038 3.998 3.960 -0.000 0.000 0.183 1139 G HA3 0.038 3.998 3.960 -0.000 0.000 0.183 1139 G C -1.820 173.087 174.900 0.012 0.000 1.665 1139 G CA -0.748 44.347 45.100 -0.008 0.000 1.015 1139 G HN 0.371 nan 8.290 nan 0.000 0.624 1140 Y N 2.481 122.704 120.300 -0.128 0.000 2.310 1140 Y HA 0.750 5.300 4.550 -0.000 0.000 0.326 1140 Y C 0.371 176.238 175.900 -0.056 0.000 1.151 1140 Y CA -0.385 57.636 58.100 -0.131 0.000 1.195 1140 Y CB 2.095 40.408 38.460 -0.245 0.000 1.210 1140 Y HN 0.610 nan 8.280 nan 0.000 0.483 1141 S N 5.481 120.691 115.700 -0.817 0.000 2.456 1141 S HA 0.313 4.782 4.470 -0.000 0.000 0.316 1141 S C 0.285 174.334 174.600 -0.919 0.000 1.089 1141 S CA -0.620 57.227 58.200 -0.589 0.000 1.101 1141 S CB 0.037 63.043 63.200 -0.323 0.000 0.995 1141 S HN 0.717 nan 8.310 nan 0.000 0.468 1142 F N 2.800 122.525 119.950 -0.375 0.000 2.293 1142 F HA 0.040 4.567 4.527 -0.000 0.000 0.300 1142 F C 2.331 178.063 175.800 -0.114 0.000 1.086 1142 F CA 1.263 59.191 58.000 -0.120 0.000 1.375 1142 F CB -0.011 39.010 39.000 0.034 0.000 1.045 1142 F HN 0.714 nan 8.300 nan 0.000 0.516 1143 E N 0.026 120.239 120.200 0.022 0.000 2.051 1143 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 1143 E C 1.896 178.472 176.600 -0.039 0.000 0.991 1143 E CA 1.885 58.287 56.400 0.003 0.000 0.799 1143 E CB -0.035 29.662 29.700 -0.006 0.000 0.748 1143 E HN 0.391 nan 8.360 nan 0.000 0.449 1144 T N -2.214 112.273 114.554 -0.112 0.000 3.069 1144 T HA 0.066 4.416 4.350 -0.000 0.000 0.252 1144 T C 0.583 175.214 174.700 -0.116 0.000 1.053 1144 T CA 0.302 62.343 62.100 -0.098 0.000 0.964 1144 T CB 0.040 68.852 68.868 -0.094 0.000 1.005 1144 T HN 0.161 nan 8.240 nan 0.000 0.532 1145 N N 1.758 120.333 118.700 -0.209 0.000 2.714 1145 N HA -0.184 4.556 4.740 -0.000 0.000 0.253 1145 N C -0.582 174.892 175.510 -0.060 0.000 1.024 1145 N CA 0.836 53.817 53.050 -0.115 0.000 0.726 1145 N CB -1.421 37.110 38.487 0.073 0.000 0.908 1145 N HN 0.950 nan 8.380 nan 0.000 0.542 1146 S N -1.598 113.962 115.700 -0.234 0.000 2.596 1146 S HA 0.887 5.357 4.470 -0.000 0.000 0.270 1146 S C 0.126 174.677 174.600 -0.081 0.000 1.155 1146 S CA -0.030 58.130 58.200 -0.066 0.000 0.827 1146 S CB 1.799 64.958 63.200 -0.068 0.000 1.130 1146 S HN 1.480 nan 8.310 nan 0.000 0.467 1147 G N 1.227 110.044 108.800 0.028 0.000 2.719 1147 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.686 1147 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.686 1147 G C -1.508 173.464 174.900 0.120 0.000 1.201 1147 G CA -1.070 44.051 45.100 0.035 0.000 0.768 1147 G HN 0.840 nan 8.290 nan 0.000 0.629 1148 N N 2.723 121.451 118.700 0.047 0.000 2.419 1148 N HA 0.453 5.192 4.740 -0.000 0.000 0.264 1148 N C -0.981 174.416 175.510 -0.189 0.000 1.031 1148 N CA -1.728 51.319 53.050 -0.004 0.000 0.951 1148 N CB 2.053 40.552 38.487 0.019 0.000 1.101 1148 N HN 0.308 nan 8.380 nan 0.000 0.488 1149 P HA 0.006 nan 4.420 nan 0.000 0.220 1149 P C -0.278 176.393 177.300 -1.049 0.000 1.152 1149 P CA 0.973 63.446 63.100 -1.045 0.000 0.812 1149 P CB 0.370 30.726 31.700 -2.239 0.000 0.792 1150 F N -2.138 117.585 119.950 -0.378 0.000 2.507 1150 F HA 0.351 4.878 4.527 -0.000 0.000 0.327 1150 F C 2.057 177.704 175.800 -0.255 0.000 1.068 1150 F CA -0.919 56.809 58.000 -0.453 0.000 0.965 1150 F CB 0.926 39.385 39.000 -0.902 0.000 1.192 1150 F HN -0.217 nan 8.300 nan 0.000 0.476 1151 H N 0.843 119.830 119.070 -0.138 0.000 2.415 1151 H HA 0.086 4.642 4.556 -0.000 0.000 0.297 1151 H C -0.928 174.455 175.328 0.093 0.000 1.048 1151 H CA 1.252 57.297 56.048 -0.005 0.000 1.365 1151 H CB 0.222 30.026 29.762 0.070 0.000 1.421 1151 H HN 0.526 nan 8.280 nan 0.000 0.533 1152 Y N -4.209 115.988 120.300 -0.171 0.000 2.818 1152 Y HA 0.435 4.985 4.550 -0.000 0.000 0.341 1152 Y C -1.858 173.774 175.900 -0.448 0.000 1.283 1152 Y CA -2.169 55.817 58.100 -0.190 0.000 1.075 1152 Y CB 0.428 38.817 38.460 -0.118 0.000 1.370 1152 Y HN -0.201 nan 8.280 nan 0.000 0.448 1153 F N 0.730 120.708 119.950 0.048 0.000 2.546 1153 F HA 0.684 5.210 4.527 -0.000 0.000 0.320 1153 F C 0.333 175.949 175.800 -0.308 0.000 1.076 1153 F CA -0.917 56.915 58.000 -0.280 0.000 0.928 1153 F CB 2.363 41.099 39.000 -0.441 0.000 1.189 1153 F HN 0.608 nan 8.300 nan 0.000 0.465 1154 S N 1.626 117.243 115.700 -0.138 0.000 2.616 1154 S HA 0.669 5.139 4.470 -0.000 0.000 0.277 1154 S C -1.408 172.976 174.600 -0.360 0.000 1.234 1154 S CA -0.192 57.947 58.200 -0.101 0.000 1.028 1154 S CB 0.395 63.614 63.200 0.032 0.000 0.988 1154 S HN 0.462 nan 8.310 nan 0.000 0.522 1155 Y N 0.726 121.128 120.300 0.171 0.000 2.492 1155 Y HA 0.683 5.233 4.550 -0.000 0.000 0.346 1155 Y C 0.666 176.625 175.900 0.098 0.000 0.997 1155 Y CA -0.659 57.509 58.100 0.113 0.000 1.025 1155 Y CB 2.591 41.055 38.460 0.006 0.000 1.263 1155 Y HN 0.967 nan 8.280 nan 0.000 0.454 1156 G N 0.458 109.430 108.800 0.286 0.000 2.576 1156 G HA2 0.606 4.566 3.960 -0.000 0.000 0.290 1156 G HA3 0.606 4.566 3.960 -0.000 0.000 0.290 1156 G C -2.396 172.632 174.900 0.214 0.000 1.442 1156 G CA -0.711 44.512 45.100 0.205 0.000 0.792 1156 G HN 0.478 nan 8.290 nan 0.000 0.491 1157 V N -0.404 119.609 119.914 0.165 0.000 2.888 1157 V HA 0.867 4.986 4.120 -0.000 0.000 0.309 1157 V C -0.159 175.989 176.094 0.090 0.000 1.114 1157 V CA -0.279 62.117 62.300 0.160 0.000 0.940 1157 V CB 1.767 33.674 31.823 0.140 0.000 1.021 1157 V HN 1.703 nan 8.190 nan 0.000 0.426 1158 A N 2.444 125.320 122.820 0.092 0.000 2.393 1158 A HA 0.781 5.101 4.320 -0.000 0.000 0.306 1158 A C -0.895 176.708 177.584 0.032 0.000 1.050 1158 A CA -0.453 51.628 52.037 0.073 0.000 0.724 1158 A CB 1.647 20.773 19.000 0.211 0.000 1.248 1158 A HN 1.109 nan 8.150 nan 0.000 0.424 1159 C N 1.949 121.249 119.300 -0.000 0.000 2.351 1159 C HA 0.868 5.328 4.460 -0.000 0.000 0.326 1159 C C 0.022 175.051 174.990 0.065 0.000 1.272 1159 C CA -0.038 58.991 59.018 0.019 0.000 1.650 1159 C CB 0.246 27.981 27.740 -0.009 0.000 2.257 1159 C HN 0.854 nan 8.230 nan 0.000 0.505 1160 S N 3.334 119.095 115.700 0.102 0.000 2.548 1160 S HA 0.607 5.076 4.470 -0.000 0.000 0.286 1160 S C -1.337 173.310 174.600 0.079 0.000 1.098 1160 S CA -0.482 57.777 58.200 0.099 0.000 0.930 1160 S CB 1.717 65.013 63.200 0.160 0.000 1.070 1160 S HN 0.882 nan 8.310 nan 0.000 0.480 1161 E N 1.576 121.806 120.200 0.050 0.000 2.234 1161 E HA 0.646 4.996 4.350 -0.000 0.000 0.266 1161 E C -1.178 175.435 176.600 0.022 0.000 0.877 1161 E CA -0.798 55.613 56.400 0.018 0.000 0.758 1161 E CB 1.431 31.125 29.700 -0.011 0.000 1.170 1161 E HN 0.505 nan 8.360 nan 0.000 0.415 1162 V N 0.566 120.488 119.914 0.012 0.000 3.126 1162 V HA 0.682 4.802 4.120 -0.000 0.000 0.314 1162 V C -0.784 175.302 176.094 -0.013 0.000 1.138 1162 V CA -0.837 61.491 62.300 0.048 0.000 1.034 1162 V CB 1.832 33.691 31.823 0.060 0.000 1.075 1162 V HN 0.822 nan 8.190 nan 0.000 0.442 1163 E N 1.782 122.001 120.200 0.033 0.000 2.244 1163 E HA 0.585 4.935 4.350 -0.000 0.000 0.260 1163 E C -0.935 175.739 176.600 0.124 0.000 0.884 1163 E CA -0.852 55.540 56.400 -0.014 0.000 0.777 1163 E CB 1.848 31.478 29.700 -0.116 0.000 1.197 1163 E HN 0.933 nan 8.360 nan 0.000 0.416 1164 I N 0.862 121.509 120.570 0.128 0.000 2.488 1164 I HA 0.489 4.658 4.170 -0.000 0.000 0.299 1164 I C -0.199 176.040 176.117 0.204 0.000 0.984 1164 I CA -0.785 60.618 61.300 0.173 0.000 1.250 1164 I CB 1.452 39.515 38.000 0.105 0.000 1.389 1164 I HN 0.364 nan 8.210 nan 0.000 0.488 1165 D N 5.354 125.884 120.400 0.217 0.000 2.365 1165 D HA 0.211 4.851 4.640 -0.000 0.000 0.237 1165 D C 0.623 177.057 176.300 0.222 0.000 1.190 1165 D CA -0.415 53.724 54.000 0.233 0.000 0.867 1165 D CB 1.243 42.181 40.800 0.230 0.000 1.050 1165 D HN 0.744 nan 8.370 nan 0.000 0.491 1166 C N 3.475 122.932 119.300 0.261 0.000 2.437 1166 C HA -0.025 4.435 4.460 -0.000 0.000 0.283 1166 C C 2.547 177.697 174.990 0.266 0.000 1.424 1166 C CA 0.029 59.204 59.018 0.262 0.000 1.782 1166 C CB -0.877 27.067 27.740 0.340 0.000 1.833 1166 C HN 0.668 nan 8.230 nan 0.000 0.532 1167 L N 0.769 122.139 121.223 0.245 0.000 2.375 1167 L HA -0.005 4.335 4.340 -0.000 0.000 0.215 1167 L C 2.502 179.411 176.870 0.064 0.000 1.108 1167 L CA 1.706 56.614 54.840 0.113 0.000 0.830 1167 L CB -0.383 41.689 42.059 0.022 0.000 0.959 1167 L HN 0.533 nan 8.230 nan 0.000 0.457 1168 T N -6.214 108.426 114.554 0.142 0.000 2.958 1168 T HA 0.287 4.637 4.350 -0.000 0.000 0.256 1168 T C 1.447 176.303 174.700 0.260 0.000 0.983 1168 T CA 0.538 62.735 62.100 0.162 0.000 0.924 1168 T CB 1.083 70.080 68.868 0.215 0.000 1.136 1168 T HN 0.270 nan 8.240 nan 0.000 0.506 1169 G N 1.543 110.468 108.800 0.208 0.000 2.205 1169 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.261 1169 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.261 1169 G C -0.120 174.875 174.900 0.158 0.000 0.980 1169 G CA 0.227 45.424 45.100 0.162 0.000 0.632 1169 G HN 0.795 nan 8.290 nan 0.000 0.533 1170 D N 1.236 121.733 120.400 0.162 0.000 2.378 1170 D HA 0.484 5.124 4.640 -0.000 0.000 0.238 1170 D C 0.749 177.173 176.300 0.207 0.000 1.180 1170 D CA 0.723 54.795 54.000 0.120 0.000 0.895 1170 D CB 0.265 41.084 40.800 0.032 0.000 1.192 1170 D HN 0.646 nan 8.370 nan 0.000 0.438 1171 H N -1.023 118.075 119.070 0.048 0.000 3.017 1171 H HA 0.470 5.026 4.556 -0.000 0.000 0.346 1171 H C -1.213 174.181 175.328 0.111 0.000 1.286 1171 H CA -0.971 55.125 56.048 0.080 0.000 1.120 1171 H CB 0.628 30.413 29.762 0.039 0.000 1.860 1171 H HN 0.261 nan 8.280 nan 0.000 0.542 1172 K N 1.306 121.762 120.400 0.093 0.000 2.207 1172 K HA 0.320 4.640 4.320 -0.000 0.000 0.255 1172 K C -0.656 176.018 176.600 0.123 0.000 0.941 1172 K CA -0.691 55.629 56.287 0.055 0.000 0.825 1172 K CB 1.681 34.247 32.500 0.110 0.000 1.119 1172 K HN 0.531 nan 8.250 nan 0.000 0.430 1173 N N 2.942 121.677 118.700 0.058 0.000 2.500 1173 N HA 0.128 4.867 4.740 -0.000 0.000 0.236 1173 N C 0.580 176.115 175.510 0.043 0.000 1.022 1173 N CA -0.173 52.937 53.050 0.099 0.000 0.935 1173 N CB 0.702 39.228 38.487 0.065 0.000 1.147 1173 N HN 0.323 nan 8.380 nan 0.000 0.512 1174 L N 1.501 122.744 121.223 0.033 0.000 2.162 1174 L HA 0.145 4.485 4.340 -0.000 0.000 0.205 1174 L C 0.996 177.871 176.870 0.007 0.000 1.086 1174 L CA 0.683 55.527 54.840 0.007 0.000 0.778 1174 L CB 0.030 42.072 42.059 -0.028 0.000 0.928 1174 L HN 0.474 nan 8.230 nan 0.000 0.446 1175 R N -0.974 119.528 120.500 0.004 0.000 2.579 1175 R HA 0.342 4.682 4.340 -0.000 0.000 0.260 1175 R C -1.668 174.629 176.300 -0.005 0.000 1.103 1175 R CA -0.294 55.810 56.100 0.007 0.000 0.942 1175 R CB 1.867 32.176 30.300 0.015 0.000 1.251 1175 R HN -0.250 nan 8.270 nan 0.000 0.450 1176 T N 2.668 117.205 114.554 -0.029 0.000 2.881 1176 T HA 0.369 4.719 4.350 -0.000 0.000 0.290 1176 T C -1.682 173.024 174.700 0.010 0.000 1.000 1176 T CA -0.578 61.486 62.100 -0.059 0.000 0.978 1176 T CB 1.574 70.261 68.868 -0.301 0.000 0.997 1176 T HN 0.523 nan 8.240 nan 0.000 0.443 1177 D N 2.115 122.511 120.400 -0.007 0.000 2.492 1177 D HA 0.578 5.218 4.640 -0.000 0.000 0.248 1177 D C -0.570 175.713 176.300 -0.028 0.000 1.101 1177 D CA -0.295 53.704 54.000 -0.001 0.000 0.840 1177 D CB 1.407 42.204 40.800 -0.005 0.000 1.209 1177 D HN 0.353 nan 8.370 nan 0.000 0.524 1178 I N 1.824 122.376 120.570 -0.029 0.000 2.474 1178 I HA 0.463 4.633 4.170 -0.000 0.000 0.294 1178 I C -0.761 175.354 176.117 -0.004 0.000 1.005 1178 I CA -1.094 60.194 61.300 -0.020 0.000 1.113 1178 I CB 2.028 40.003 38.000 -0.042 0.000 1.289 1178 I HN 0.013 nan 8.210 nan 0.000 0.436 1179 V N 6.449 126.372 119.914 0.016 0.000 2.407 1179 V HA 0.437 4.557 4.120 -0.000 0.000 0.291 1179 V C -0.416 175.712 176.094 0.056 0.000 1.018 1179 V CA -0.451 61.864 62.300 0.025 0.000 0.842 1179 V CB 1.647 33.478 31.823 0.013 0.000 0.996 1179 V HN 0.630 nan 8.190 nan 0.000 0.426 1180 M N 4.109 123.742 119.600 0.054 0.000 2.311 1180 M HA 0.507 4.987 4.480 -0.000 0.000 0.325 1180 M C -0.759 175.586 176.300 0.075 0.000 1.061 1180 M CA -0.420 54.924 55.300 0.074 0.000 0.957 1180 M CB 1.581 34.216 32.600 0.058 0.000 1.646 1180 M HN 0.638 nan 8.290 nan 0.000 0.434 1181 D N 3.769 124.232 120.400 0.106 0.000 2.365 1181 D HA 0.262 4.901 4.640 -0.000 0.000 0.237 1181 D C 0.078 176.432 176.300 0.091 0.000 1.190 1181 D CA -0.173 53.892 54.000 0.107 0.000 0.867 1181 D CB 0.711 41.617 40.800 0.175 0.000 1.050 1181 D HN 0.444 nan 8.370 nan 0.000 0.491 1182 V N 2.210 122.158 119.914 0.057 0.000 2.982 1182 V HA 0.593 4.713 4.120 -0.000 0.000 0.368 1182 V C 1.090 177.194 176.094 0.017 0.000 1.350 1182 V CA 0.262 62.584 62.300 0.038 0.000 1.251 1182 V CB -0.387 31.446 31.823 0.017 0.000 1.284 1182 V HN 0.664 nan 8.190 nan 0.000 0.533 1183 G N 1.414 110.224 108.800 0.017 0.000 2.578 1183 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.275 1183 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.275 1183 G C 0.053 174.951 174.900 -0.004 0.000 1.271 1183 G CA 0.041 45.132 45.100 -0.016 0.000 0.941 1183 G HN 1.029 nan 8.290 nan 0.000 0.564 1184 S N 0.386 116.078 115.700 -0.013 0.000 2.494 1184 S HA 0.487 4.957 4.470 -0.000 0.000 0.312 1184 S C 0.672 175.272 174.600 0.000 0.000 1.121 1184 S CA 0.639 58.839 58.200 0.000 0.000 1.068 1184 S CB 0.989 64.189 63.200 -0.001 0.000 1.141 1184 S HN 1.248 nan 8.310 nan 0.000 0.527 1185 S N 3.240 118.942 115.700 0.004 0.000 2.558 1185 S HA 0.077 4.547 4.470 -0.000 0.000 0.293 1185 S C 1.335 175.927 174.600 -0.014 0.000 1.292 1185 S CA -0.477 57.716 58.200 -0.011 0.000 1.063 1185 S CB 0.067 63.254 63.200 -0.022 0.000 0.831 1185 S HN 0.660 nan 8.310 nan 0.000 0.499 1186 L N 3.318 124.531 121.223 -0.016 0.000 2.275 1186 L HA 0.090 4.429 4.340 -0.000 0.000 0.215 1186 L C 1.110 177.958 176.870 -0.038 0.000 1.119 1186 L CA 0.557 55.391 54.840 -0.011 0.000 0.790 1186 L CB -0.262 41.796 42.059 -0.003 0.000 0.919 1186 L HN 0.648 nan 8.230 nan 0.000 0.443 1187 N N -1.070 117.590 118.700 -0.066 0.000 2.976 1187 N HA 0.093 4.833 4.740 -0.000 0.000 0.249 1187 N C -2.404 173.002 175.510 -0.175 0.000 1.258 1187 N CA -0.851 52.136 53.050 -0.106 0.000 0.864 1187 N CB 1.516 39.948 38.487 -0.092 0.000 1.551 1187 N HN -0.286 nan 8.380 nan 0.000 0.607 1188 P HA 0.018 nan 4.420 nan 0.000 0.225 1188 P C 1.036 178.048 177.300 -0.480 0.000 1.156 1188 P CA 0.632 63.505 63.100 -0.377 0.000 0.787 1188 P CB 0.423 31.753 31.700 -0.616 0.000 0.802 1189 A N 0.449 122.952 122.820 -0.529 0.000 1.873 1189 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 1189 A C 2.190 179.520 177.584 -0.422 0.000 1.186 1189 A CA 1.214 52.864 52.037 -0.646 0.000 0.616 1189 A CB -1.292 17.046 19.000 -1.103 0.000 0.823 1189 A HN 0.001 nan 8.150 nan 0.000 0.442 1190 I N 0.574 120.983 120.570 -0.269 0.000 2.252 1190 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 1190 I C 1.654 177.704 176.117 -0.111 0.000 1.102 1190 I CA 1.537 62.758 61.300 -0.132 0.000 1.385 1190 I CB -1.447 36.508 38.000 -0.075 0.000 1.064 1190 I HN 0.265 nan 8.210 nan 0.000 0.414 1191 D N 0.790 121.112 120.400 -0.129 0.000 2.149 1191 D HA -0.069 4.571 4.640 -0.000 0.000 0.201 1191 D C 2.360 178.606 176.300 -0.090 0.000 0.972 1191 D CA 0.922 54.869 54.000 -0.089 0.000 0.835 1191 D CB -0.079 40.674 40.800 -0.079 0.000 0.966 1191 D HN 0.287 nan 8.370 nan 0.000 0.476 1192 I N 0.833 121.319 120.570 -0.140 0.000 2.286 1192 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 1192 I C 2.430 178.480 176.117 -0.112 0.000 1.115 1192 I CA 1.227 62.449 61.300 -0.130 0.000 1.392 1192 I CB -0.276 37.625 38.000 -0.165 0.000 1.065 1192 I HN 0.022 nan 8.210 nan 0.000 0.418 1193 G N -0.186 108.552 108.800 -0.104 0.000 2.408 1193 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 1193 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 1193 G C 1.576 176.469 174.900 -0.013 0.000 1.150 1193 G CA 0.282 45.349 45.100 -0.055 0.000 0.776 1193 G HN 0.276 nan 8.290 nan 0.000 0.542 1194 Q N 0.222 120.016 119.800 -0.010 0.000 2.079 1194 Q HA -0.025 4.315 4.340 -0.000 0.000 0.200 1194 Q C 2.976 179.002 176.000 0.044 0.000 0.974 1194 Q CA 0.892 56.710 55.803 0.025 0.000 0.840 1194 Q CB -0.703 28.040 28.738 0.008 0.000 0.898 1194 Q HN 0.403 nan 8.270 nan 0.000 0.430 1195 V N 1.570 121.496 119.914 0.021 0.000 2.287 1195 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 1195 V C 2.138 178.307 176.094 0.126 0.000 1.053 1195 V CA 2.006 64.341 62.300 0.060 0.000 1.027 1195 V CB -0.491 31.341 31.823 0.014 0.000 0.646 1195 V HN 0.387 nan 8.190 nan 0.000 0.447 1196 E N 0.112 120.338 120.200 0.044 0.000 2.072 1196 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 1196 E C 2.330 179.073 176.600 0.238 0.000 0.985 1196 E CA 1.147 57.618 56.400 0.119 0.000 0.801 1196 E CB -0.481 29.148 29.700 -0.119 0.000 0.750 1196 E HN 0.643 nan 8.360 nan 0.000 0.452 1197 G N 1.150 110.025 108.800 0.125 0.000 2.402 1197 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 1197 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 1197 G C 1.685 176.660 174.900 0.125 0.000 1.162 1197 G CA 0.797 45.961 45.100 0.106 0.000 0.777 1197 G HN 0.333 nan 8.290 nan 0.000 0.539 1198 A N 0.429 123.335 122.820 0.143 0.000 1.902 1198 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 1198 A C 2.174 179.829 177.584 0.118 0.000 1.181 1198 A CA 1.533 53.639 52.037 0.116 0.000 0.623 1198 A CB -0.576 18.482 19.000 0.097 0.000 0.818 1198 A HN 0.403 nan 8.150 nan 0.000 0.443 1199 F N 0.633 120.634 119.950 0.085 0.000 2.134 1199 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 1199 F C 2.152 177.992 175.800 0.067 0.000 1.097 1199 F CA 1.941 60.002 58.000 0.102 0.000 1.264 1199 F CB -0.118 39.010 39.000 0.213 0.000 1.001 1199 F HN 0.026 nan 8.300 nan 0.000 0.479 1200 V N 0.224 120.281 119.914 0.238 0.000 2.515 1200 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 1200 V C 2.247 178.300 176.094 -0.068 0.000 1.058 1200 V CA 1.967 64.329 62.300 0.104 0.000 1.064 1200 V CB -0.672 31.281 31.823 0.217 0.000 0.675 1200 V HN 0.402 nan 8.190 nan 0.000 0.461 1201 Q N -0.123 119.625 119.800 -0.087 0.000 2.167 1201 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 1201 Q C 2.343 178.170 176.000 -0.289 0.000 0.970 1201 Q CA 1.452 57.161 55.803 -0.157 0.000 0.855 1201 Q CB -0.345 28.329 28.738 -0.107 0.000 0.911 1201 Q HN 0.726 nan 8.270 nan 0.000 0.438 1202 G N 1.164 109.764 108.800 -0.334 0.000 2.403 1202 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.216 1202 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.216 1202 G C 1.386 175.985 174.900 -0.501 0.000 1.154 1202 G CA 0.226 45.006 45.100 -0.534 0.000 0.784 1202 G HN 0.305 nan 8.290 nan 0.000 0.538 1203 L N 0.723 121.700 121.223 -0.409 0.000 2.046 1203 L HA 0.046 4.385 4.340 -0.000 0.000 0.208 1203 L C 2.795 179.559 176.870 -0.177 0.000 1.077 1203 L CA 1.875 56.560 54.840 -0.257 0.000 0.747 1203 L CB -0.563 41.357 42.059 -0.232 0.000 0.896 1203 L HN 0.242 nan 8.230 nan 0.000 0.432 1204 G N 0.199 108.871 108.800 -0.212 0.000 2.433 1204 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.216 1204 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.216 1204 G C 1.497 176.241 174.900 -0.259 0.000 1.186 1204 G CA 0.914 45.890 45.100 -0.207 0.000 0.779 1204 G HN 0.388 nan 8.290 nan 0.000 0.543 1205 L N -0.514 120.456 121.223 -0.423 0.000 2.043 1205 L HA 0.017 4.356 4.340 -0.000 0.000 0.212 1205 L C 2.143 178.780 176.870 -0.389 0.000 1.075 1205 L CA 1.792 56.300 54.840 -0.553 0.000 0.752 1205 L CB -0.478 40.987 42.059 -0.990 0.000 0.891 1205 L HN 0.183 nan 8.230 nan 0.000 0.432 1206 F N -1.391 118.462 119.950 -0.162 0.000 2.746 1206 F HA 0.177 4.704 4.527 -0.000 0.000 0.297 1206 F C 1.951 177.768 175.800 0.028 0.000 1.113 1206 F CA 0.766 58.695 58.000 -0.117 0.000 1.367 1206 F CB -0.613 38.280 39.000 -0.180 0.000 1.111 1206 F HN 0.314 nan 8.300 nan 0.000 0.590 1207 T N -5.347 109.283 114.554 0.128 0.000 3.046 1207 T HA 0.262 4.612 4.350 -0.000 0.000 0.270 1207 T C 1.151 175.873 174.700 0.037 0.000 0.920 1207 T CA 0.100 62.261 62.100 0.102 0.000 0.874 1207 T CB 0.001 68.938 68.868 0.115 0.000 1.214 1207 T HN 0.127 nan 8.240 nan 0.000 0.536 1208 M N 0.102 119.679 119.600 -0.038 0.000 2.195 1208 M HA 0.408 4.888 4.480 -0.000 0.000 0.243 1208 M C -0.287 175.912 176.300 -0.169 0.000 1.313 1208 M CA 0.043 55.289 55.300 -0.091 0.000 1.077 1208 M CB 1.167 33.689 32.600 -0.130 0.000 1.664 1208 M HN 0.058 nan 8.290 nan 0.000 0.584 1209 E N 2.234 122.302 120.200 -0.220 0.000 2.200 1209 E HA 0.300 4.650 4.350 -0.000 0.000 0.283 1209 E C -0.725 175.805 176.600 -0.117 0.000 1.015 1209 E CA -0.017 56.158 56.400 -0.375 0.000 0.819 1209 E CB 1.412 30.891 29.700 -0.368 0.000 1.081 1209 E HN 0.117 nan 8.360 nan 0.000 0.397 1210 E N 3.514 123.680 120.200 -0.058 0.000 2.331 1210 E HA 0.383 4.733 4.350 -0.000 0.000 0.275 1210 E C -1.605 175.004 176.600 0.015 0.000 0.895 1210 E CA -0.612 55.771 56.400 -0.028 0.000 0.753 1210 E CB 1.213 30.834 29.700 -0.133 0.000 1.216 1210 E HN 0.340 nan 8.360 nan 0.000 0.434 1211 L N 3.555 124.753 121.223 -0.041 0.000 2.341 1211 L HA 0.511 4.851 4.340 -0.000 0.000 0.278 1211 L C -0.801 175.928 176.870 -0.234 0.000 1.005 1211 L CA -0.715 54.077 54.840 -0.079 0.000 0.818 1211 L CB 1.563 43.639 42.059 0.028 0.000 1.259 1211 L HN 0.624 nan 8.230 nan 0.000 0.418 1212 H N 1.720 120.765 119.070 -0.040 0.000 2.469 1212 H HA 0.553 5.109 4.556 -0.000 0.000 0.342 1212 H C -1.379 173.835 175.328 -0.190 0.000 1.115 1212 H CA -0.366 55.718 56.048 0.059 0.000 1.204 1212 H CB 1.670 31.523 29.762 0.152 0.000 1.492 1212 H HN 0.323 nan 8.280 nan 0.000 0.499 1213 Y N 0.266 120.683 120.300 0.194 0.000 2.485 1213 Y HA 0.275 4.825 4.550 -0.000 0.000 0.345 1213 Y C 0.405 176.246 175.900 -0.098 0.000 0.998 1213 Y CA -1.021 57.052 58.100 -0.046 0.000 1.059 1213 Y CB 1.812 40.264 38.460 -0.013 0.000 1.234 1213 Y HN 0.684 nan 8.280 nan 0.000 0.461 1214 S N 1.304 116.845 115.700 -0.265 0.000 2.608 1214 S HA 0.208 4.678 4.470 -0.000 0.000 0.261 1214 S C -2.074 172.563 174.600 0.062 0.000 1.314 1214 S CA -0.893 57.282 58.200 -0.042 0.000 0.992 1214 S CB 1.016 64.147 63.200 -0.114 0.000 0.935 1214 S HN 0.478 nan 8.310 nan 0.000 0.564 1215 P HA 0.010 nan 4.420 nan 0.000 0.220 1215 P C 0.336 177.651 177.300 0.026 0.000 1.148 1215 P CA 0.989 64.118 63.100 0.048 0.000 0.803 1215 P CB -0.040 31.684 31.700 0.042 0.000 0.782 1216 E N -1.491 118.721 120.200 0.021 0.000 2.437 1216 E HA 0.310 4.660 4.350 -0.000 0.000 0.189 1216 E C 1.228 177.836 176.600 0.013 0.000 1.054 1216 E CA 0.413 56.819 56.400 0.010 0.000 0.874 1216 E CB -0.727 28.975 29.700 0.003 0.000 1.011 1216 E HN 0.100 nan 8.360 nan 0.000 0.474 1217 G N 0.628 109.446 108.800 0.030 0.000 2.141 1217 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.242 1217 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.242 1217 G C 0.344 175.314 174.900 0.115 0.000 0.982 1217 G CA 0.332 45.468 45.100 0.058 0.000 0.662 1217 G HN 0.299 nan 8.290 nan 0.000 0.527 1218 S N 0.068 115.789 115.700 0.035 0.000 2.439 1218 S HA 0.569 5.039 4.470 -0.000 0.000 0.282 1218 S C 0.558 175.087 174.600 -0.120 0.000 1.170 1218 S CA -0.575 57.617 58.200 -0.014 0.000 1.054 1218 S CB 0.645 63.805 63.200 -0.067 0.000 0.956 1218 S HN 1.243 nan 8.310 nan 0.000 0.490 1219 L N 6.910 128.102 121.223 -0.053 0.000 2.584 1219 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 1219 L C 1.022 177.752 176.870 -0.232 0.000 1.195 1219 L CA 0.938 55.556 54.840 -0.370 0.000 0.920 1219 L CB 0.159 42.084 42.059 -0.223 0.000 1.173 1219 L HN 0.789 nan 8.230 nan 0.000 0.489 1220 H N 2.046 121.015 119.070 -0.170 0.000 2.520 1220 H HA 0.160 4.716 4.556 -0.000 0.000 0.279 1220 H C 0.053 175.365 175.328 -0.026 0.000 0.990 1220 H CA 0.549 56.570 56.048 -0.046 0.000 1.288 1220 H CB 0.182 29.945 29.762 0.001 0.000 1.446 1220 H HN 0.571 nan 8.280 nan 0.000 0.538 1221 T N 2.523 117.110 114.554 0.054 0.000 2.794 1221 T HA 0.300 4.649 4.350 -0.000 0.000 0.304 1221 T C 1.100 175.820 174.700 0.034 0.000 0.973 1221 T CA -0.242 61.907 62.100 0.081 0.000 0.972 1221 T CB 0.694 69.612 68.868 0.083 0.000 0.952 1221 T HN 0.265 nan 8.240 nan 0.000 0.509 1222 R N 1.758 122.302 120.500 0.072 0.000 2.590 1222 R HA 0.418 4.757 4.340 -0.000 0.000 0.410 1222 R C 0.705 177.069 176.300 0.107 0.000 1.010 1222 R CA -0.511 55.630 56.100 0.070 0.000 1.155 1222 R CB 1.297 31.647 30.300 0.082 0.000 1.455 1222 R HN 0.722 nan 8.270 nan 0.000 0.567 1223 G N 0.390 109.284 108.800 0.156 0.000 2.488 1223 G HA2 0.147 4.106 3.960 -0.000 0.000 0.301 1223 G HA3 0.147 4.106 3.960 -0.000 0.000 0.301 1223 G C -2.659 172.412 174.900 0.286 0.000 1.339 1223 G CA -0.691 44.549 45.100 0.234 0.000 0.803 1223 G HN -0.302 nan 8.290 nan 0.000 0.482 1224 P HA -0.014 nan 4.420 nan 0.000 0.233 1224 P C 1.808 179.144 177.300 0.059 0.000 1.167 1224 P CA 1.572 64.753 63.100 0.135 0.000 0.770 1224 P CB 0.199 31.988 31.700 0.147 0.000 0.837 1225 S N -0.101 115.630 115.700 0.052 0.000 2.399 1225 S HA -0.114 4.355 4.470 -0.000 0.000 0.231 1225 S C 1.813 176.426 174.600 0.021 0.000 1.022 1225 S CA 1.988 60.195 58.200 0.012 0.000 0.983 1225 S CB -1.750 61.435 63.200 -0.026 0.000 0.803 1225 S HN 0.347 nan 8.310 nan 0.000 0.480 1226 T N -3.844 110.749 114.554 0.064 0.000 2.971 1226 T HA 0.264 4.614 4.350 -0.000 0.000 0.252 1226 T C -0.017 174.770 174.700 0.144 0.000 1.022 1226 T CA -0.372 61.784 62.100 0.094 0.000 0.980 1226 T CB -0.342 68.592 68.868 0.111 0.000 1.044 1226 T HN 0.343 nan 8.240 nan 0.000 0.501 1227 Y N 3.016 123.321 120.300 0.008 0.000 2.369 1227 Y HA 0.548 5.098 4.550 -0.000 0.000 0.337 1227 Y C -0.871 174.962 175.900 -0.111 0.000 0.961 1227 Y CA -1.768 56.320 58.100 -0.020 0.000 1.186 1227 Y CB 0.808 39.287 38.460 0.031 0.000 1.139 1227 Y HN -0.167 nan 8.280 nan 0.000 0.494 1228 K N 8.921 129.000 120.400 -0.536 0.000 2.354 1228 K HA 0.282 4.602 4.320 -0.000 0.000 0.257 1228 K C -0.133 176.162 176.600 -0.509 0.000 1.062 1228 K CA -0.375 55.678 56.287 -0.390 0.000 0.971 1228 K CB 0.401 32.769 32.500 -0.220 0.000 1.305 1228 K HN 0.838 nan 8.250 nan 0.000 0.449 1229 I N -0.677 119.600 120.570 -0.489 0.000 3.079 1229 I HA 0.378 4.548 4.170 -0.000 0.000 0.295 1229 I C -2.132 173.879 176.117 -0.176 0.000 1.094 1229 I CA -2.442 58.645 61.300 -0.354 0.000 1.295 1229 I CB 0.220 38.024 38.000 -0.326 0.000 1.443 1229 I HN 0.141 nan 8.210 nan 0.000 0.607 1230 P HA 0.127 nan 4.420 nan 0.000 0.265 1230 P C -0.816 176.534 177.300 0.083 0.000 1.193 1230 P CA 0.118 63.223 63.100 0.008 0.000 0.765 1230 P CB 0.728 32.477 31.700 0.081 0.000 0.823 1231 A N 2.326 125.107 122.820 -0.065 0.000 2.282 1231 A HA 0.464 4.783 4.320 -0.000 0.000 0.324 1231 A C 0.730 177.900 177.584 -0.690 0.000 1.119 1231 A CA -0.476 51.435 52.037 -0.210 0.000 0.880 1231 A CB -0.065 18.903 19.000 -0.053 0.000 1.294 1231 A HN 0.441 nan 8.150 nan 0.000 0.493 1232 F N 0.408 119.770 119.950 -0.980 0.000 2.202 1232 F HA -0.086 4.441 4.527 -0.000 0.000 0.301 1232 F C 2.421 178.046 175.800 -0.292 0.000 1.082 1232 F CA 2.363 59.823 58.000 -0.901 0.000 1.313 1232 F CB -0.079 38.739 39.000 -0.304 0.000 1.024 1232 F HN 0.640 nan 8.300 nan 0.000 0.495 1233 G N -2.045 106.788 108.800 0.055 0.000 2.920 1233 G HA2 -0.058 3.901 3.960 -0.000 0.000 0.208 1233 G HA3 -0.058 3.901 3.960 -0.000 0.000 0.208 1233 G C 1.455 176.377 174.900 0.037 0.000 1.159 1233 G CA 0.605 45.771 45.100 0.110 0.000 0.784 1233 G HN 0.300 nan 8.290 nan 0.000 0.535 1234 S N 0.081 115.761 115.700 -0.032 0.000 2.501 1234 S HA 0.185 4.655 4.470 -0.000 0.000 0.220 1234 S C 1.139 175.736 174.600 -0.006 0.000 0.997 1234 S CA -0.346 57.827 58.200 -0.044 0.000 0.919 1234 S CB -0.058 63.109 63.200 -0.054 0.000 0.778 1234 S HN 0.601 nan 8.310 nan 0.000 0.523 1235 I N -0.077 120.513 120.570 0.034 0.000 2.764 1235 I HA 0.419 4.589 4.170 -0.000 0.000 0.294 1235 I C -2.987 173.098 176.117 -0.053 0.000 1.045 1235 I CA -2.703 58.606 61.300 0.015 0.000 1.340 1235 I CB -0.101 37.989 38.000 0.150 0.000 1.436 1235 I HN -0.245 nan 8.210 nan 0.000 0.567 1236 P HA 0.158 nan 4.420 nan 0.000 0.265 1236 P C 0.427 177.707 177.300 -0.033 0.000 1.193 1236 P CA 0.213 63.197 63.100 -0.192 0.000 0.765 1236 P CB 0.678 32.095 31.700 -0.472 0.000 0.823 1237 I N 1.257 121.848 120.570 0.036 0.000 2.286 1237 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 1237 I C 0.814 177.004 176.117 0.123 0.000 1.104 1237 I CA 1.405 62.761 61.300 0.094 0.000 1.397 1237 I CB -0.190 37.854 38.000 0.073 0.000 1.072 1237 I HN 0.370 nan 8.210 nan 0.000 0.417 1238 E N 1.395 121.655 120.200 0.099 0.000 2.081 1238 E HA 0.244 4.594 4.350 -0.000 0.000 0.276 1238 E C -1.131 175.583 176.600 0.190 0.000 0.950 1238 E CA -0.393 56.083 56.400 0.128 0.000 0.776 1238 E CB 1.413 31.160 29.700 0.079 0.000 1.094 1238 E HN -0.034 nan 8.360 nan 0.000 0.402 1239 F N 3.994 123.953 119.950 0.015 0.000 2.496 1239 F HA 0.392 4.918 4.527 -0.000 0.000 0.341 1239 F C -0.678 175.104 175.800 -0.030 0.000 1.134 1239 F CA -1.261 56.725 58.000 -0.023 0.000 0.968 1239 F CB 0.768 39.772 39.000 0.007 0.000 1.205 1239 F HN 0.296 nan 8.300 nan 0.000 0.436 1240 R N 4.621 125.260 120.500 0.231 0.000 2.494 1240 R HA 0.757 5.096 4.340 -0.000 0.000 0.305 1240 R C -1.579 174.706 176.300 -0.025 0.000 0.959 1240 R CA -1.003 55.123 56.100 0.044 0.000 0.864 1240 R CB 2.794 33.121 30.300 0.044 0.000 1.159 1240 R HN 0.331 nan 8.270 nan 0.000 0.446 1241 V N 1.826 121.686 119.914 -0.090 0.000 2.577 1241 V HA 0.374 4.493 4.120 -0.000 0.000 0.303 1241 V C -0.606 175.468 176.094 -0.033 0.000 1.042 1241 V CA -0.669 61.575 62.300 -0.092 0.000 0.872 1241 V CB 2.205 33.919 31.823 -0.181 0.000 0.998 1241 V HN 0.772 nan 8.190 nan 0.000 0.423 1242 S N 5.192 120.886 115.700 -0.010 0.000 2.500 1242 S HA 0.706 5.176 4.470 -0.000 0.000 0.301 1242 S C -0.636 173.981 174.600 0.028 0.000 1.092 1242 S CA -0.607 57.603 58.200 0.017 0.000 1.030 1242 S CB 1.545 64.750 63.200 0.007 0.000 1.031 1242 S HN 0.527 nan 8.310 nan 0.000 0.483 1243 L N 3.020 124.276 121.223 0.055 0.000 2.292 1243 L HA 0.438 4.777 4.340 -0.000 0.000 0.284 1243 L C -0.136 176.763 176.870 0.049 0.000 1.065 1243 L CA -0.917 53.956 54.840 0.054 0.000 0.806 1243 L CB 0.769 42.873 42.059 0.076 0.000 1.175 1243 L HN 0.496 nan 8.230 nan 0.000 0.431 1244 L N 4.332 125.580 121.223 0.041 0.000 2.490 1244 L HA 0.125 4.465 4.340 -0.000 0.000 0.274 1244 L C 0.341 177.228 176.870 0.028 0.000 1.201 1244 L CA 0.542 55.401 54.840 0.032 0.000 0.869 1244 L CB 0.255 42.336 42.059 0.036 0.000 1.123 1244 L HN 0.496 nan 8.230 nan 0.000 0.484 1245 R N 3.519 124.029 120.500 0.016 0.000 2.500 1245 R HA 0.282 4.622 4.340 -0.000 0.000 0.277 1245 R C -0.507 175.797 176.300 0.007 0.000 1.026 1245 R CA -0.555 55.551 56.100 0.010 0.000 1.058 1245 R CB 0.487 30.786 30.300 -0.003 0.000 1.078 1245 R HN 0.742 nan 8.270 nan 0.000 0.509 1246 D N 0.604 121.007 120.400 0.005 0.000 2.746 1246 D HA -0.132 4.508 4.640 -0.000 0.000 0.241 1246 D C -0.486 175.816 176.300 0.004 0.000 1.140 1246 D CA 0.952 54.953 54.000 0.002 0.000 0.707 1246 D CB -1.192 39.607 40.800 -0.002 0.000 1.034 1246 D HN 0.752 nan 8.370 nan 0.000 0.423 1247 C N -1.645 117.658 119.300 0.006 0.000 3.236 1247 C HA 0.371 4.831 4.460 -0.000 0.000 0.208 1247 C C -2.219 172.770 174.990 -0.002 0.000 1.879 1247 C CA -1.591 57.432 59.018 0.008 0.000 1.262 1247 C CB 0.414 28.165 27.740 0.019 0.000 2.186 1247 C HN 0.142 nan 8.230 nan 0.000 0.552 1248 P HA 0.107 nan 4.420 nan 0.000 0.267 1248 P C -0.604 176.667 177.300 -0.048 0.000 1.200 1248 P CA 0.724 63.809 63.100 -0.026 0.000 0.772 1248 P CB 0.759 32.448 31.700 -0.018 0.000 0.855 1249 N N 2.174 120.818 118.700 -0.094 0.000 2.706 1249 N HA 0.105 4.844 4.740 -0.000 0.000 0.240 1249 N C 0.758 176.163 175.510 -0.175 0.000 1.039 1249 N CA -0.608 52.342 53.050 -0.167 0.000 0.888 1249 N CB 0.566 38.871 38.487 -0.303 0.000 1.128 1249 N HN 0.048 nan 8.380 nan 0.000 0.512 1250 K N 1.848 122.178 120.400 -0.117 0.000 2.439 1250 K HA 0.073 4.393 4.320 -0.000 0.000 0.197 1250 K C 1.268 177.803 176.600 -0.108 0.000 1.041 1250 K CA 0.760 56.992 56.287 -0.092 0.000 0.970 1250 K CB -0.040 32.430 32.500 -0.050 0.000 0.773 1250 K HN 0.333 nan 8.250 nan 0.000 0.479 1251 R N 0.569 120.976 120.500 -0.156 0.000 2.261 1251 R HA 0.027 4.367 4.340 -0.000 0.000 0.236 1251 R C 0.382 176.661 176.300 -0.036 0.000 1.141 1251 R CA 1.152 57.157 56.100 -0.159 0.000 1.001 1251 R CB -0.449 29.591 30.300 -0.435 0.000 0.866 1251 R HN 0.382 nan 8.270 nan 0.000 0.468 1252 A N 0.412 123.136 122.820 -0.160 0.000 2.530 1252 A HA 0.416 4.736 4.320 -0.000 0.000 0.288 1252 A C -0.767 176.691 177.584 -0.209 0.000 1.172 1252 A CA -0.887 51.070 52.037 -0.134 0.000 0.733 1252 A CB 0.913 19.832 19.000 -0.134 0.000 1.320 1252 A HN 0.101 nan 8.150 nan 0.000 0.419 1253 I N 0.856 121.265 120.570 -0.268 0.000 2.845 1253 I HA 0.147 4.316 4.170 -0.000 0.000 0.290 1253 I C -0.209 175.779 176.117 -0.215 0.000 1.202 1253 I CA 1.176 62.246 61.300 -0.383 0.000 1.406 1253 I CB -1.043 36.724 38.000 -0.388 0.000 1.383 1253 I HN 0.605 nan 8.210 nan 0.000 0.549 1254 Y N 5.205 125.391 120.300 -0.191 0.000 3.978 1254 Y HA -0.268 4.282 4.550 -0.000 0.000 0.219 1254 Y C 1.379 177.214 175.900 -0.109 0.000 1.153 1254 Y CA 0.997 59.020 58.100 -0.129 0.000 1.718 1254 Y CB -2.190 36.216 38.460 -0.090 0.000 1.541 1254 Y HN 1.048 nan 8.280 nan 0.000 0.640 1255 A N -1.852 120.958 122.820 -0.017 0.000 3.021 1255 A HA -0.176 4.143 4.320 -0.000 0.000 0.257 1255 A C 1.101 178.641 177.584 -0.074 0.000 1.277 1255 A CA 1.035 53.038 52.037 -0.057 0.000 1.012 1255 A CB -1.970 17.019 19.000 -0.018 0.000 1.147 1255 A HN 1.544 nan 8.150 nan 0.000 0.861 1256 S N -0.730 114.931 115.700 -0.066 0.000 2.634 1256 S HA 0.714 5.184 4.470 -0.000 0.000 0.261 1256 S C -0.008 174.515 174.600 -0.128 0.000 1.271 1256 S CA 0.030 58.192 58.200 -0.064 0.000 0.985 1256 S CB 1.220 64.403 63.200 -0.029 0.000 0.968 1256 S HN 0.560 nan 8.310 nan 0.000 0.568 1257 K N -0.226 120.137 120.400 -0.062 0.000 2.395 1257 K HA 0.673 4.993 4.320 -0.000 0.000 0.247 1257 K C -0.408 176.248 176.600 0.095 0.000 0.973 1257 K CA -0.928 55.367 56.287 0.014 0.000 0.828 1257 K CB 2.047 34.590 32.500 0.072 0.000 1.272 1257 K HN 0.816 nan 8.250 nan 0.000 0.439 1258 A N 0.774 123.719 122.820 0.208 0.000 2.466 1258 A HA 0.160 4.480 4.320 -0.000 0.000 0.238 1258 A C 0.561 178.166 177.584 0.034 0.000 1.074 1258 A CA -0.054 52.035 52.037 0.087 0.000 0.774 1258 A CB 0.580 19.614 19.000 0.057 0.000 1.015 1258 A HN 0.529 nan 8.150 nan 0.000 0.498 1259 V N 1.889 121.791 119.914 -0.019 0.000 3.380 1259 V HA 0.229 4.348 4.120 -0.000 0.000 0.277 1259 V C 1.679 177.731 176.094 -0.070 0.000 1.590 1259 V CA 1.402 63.681 62.300 -0.035 0.000 1.019 1259 V CB -0.100 31.712 31.823 -0.020 0.000 0.828 1259 V HN 1.100 nan 8.190 nan 0.000 0.427 1260 G N 0.147 108.899 108.800 -0.079 0.000 2.421 1260 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 1260 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 1260 G C 1.217 176.060 174.900 -0.095 0.000 1.171 1260 G CA 1.373 46.439 45.100 -0.056 0.000 0.775 1260 G HN 0.597 nan 8.290 nan 0.000 0.543 1261 E N 0.202 120.254 120.200 -0.246 0.000 2.201 1261 E HA 0.016 4.365 4.350 -0.000 0.000 0.193 1261 E C -0.330 175.900 176.600 -0.616 0.000 0.957 1261 E CA -0.020 56.141 56.400 -0.397 0.000 0.858 1261 E CB 0.058 29.429 29.700 -0.549 0.000 0.816 1261 E HN 0.294 nan 8.360 nan 0.000 0.475 1262 P HA -0.101 nan 4.420 nan 0.000 0.219 1262 P C -1.765 175.461 177.300 -0.122 0.000 1.146 1262 P CA 1.412 64.174 63.100 -0.563 0.000 0.808 1262 P CB -0.605 30.917 31.700 -0.296 0.000 0.779 1263 P HA 0.005 nan 4.420 nan 0.000 0.231 1263 P C 1.501 178.893 177.300 0.152 0.000 1.168 1263 P CA 0.450 63.617 63.100 0.112 0.000 0.779 1263 P CB -0.307 31.471 31.700 0.129 0.000 0.844 1264 L N -1.148 120.114 121.223 0.065 0.000 2.012 1264 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 1264 L C 2.148 179.072 176.870 0.089 0.000 1.073 1264 L CA 1.693 56.554 54.840 0.036 0.000 0.748 1264 L CB -0.715 41.335 42.059 -0.015 0.000 0.891 1264 L HN -0.093 nan 8.230 nan 0.000 0.431 1265 F N -0.019 119.985 119.950 0.091 0.000 2.333 1265 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 1265 F C 1.879 177.821 175.800 0.236 0.000 1.083 1265 F CA 1.262 59.401 58.000 0.231 0.000 1.395 1265 F CB -0.259 38.858 39.000 0.195 0.000 1.056 1265 F HN 0.017 nan 8.300 nan 0.000 0.529 1266 L N -0.091 121.144 121.223 0.020 0.000 2.265 1266 L HA -0.155 4.185 4.340 -0.000 0.000 0.215 1266 L C 2.590 179.465 176.870 0.010 0.000 1.117 1266 L CA 0.842 55.714 54.840 0.053 0.000 0.782 1266 L CB -1.067 41.178 42.059 0.311 0.000 0.914 1266 L HN 0.229 nan 8.230 nan 0.000 0.441 1267 A N 0.036 122.671 122.820 -0.309 0.000 2.225 1267 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 1267 A C 2.425 179.904 177.584 -0.176 0.000 1.164 1267 A CA 1.352 52.996 52.037 -0.654 0.000 0.710 1267 A CB -0.496 17.975 19.000 -0.883 0.000 0.780 1267 A HN 0.538 nan 8.150 nan 0.000 0.473 1268 S N 0.679 116.156 115.700 -0.372 0.000 2.442 1268 S HA -0.193 4.276 4.470 -0.000 0.000 0.236 1268 S C 1.973 176.517 174.600 -0.093 0.000 1.007 1268 S CA 1.542 59.366 58.200 -0.627 0.000 0.965 1268 S CB -0.917 61.596 63.200 -1.146 0.000 0.773 1268 S HN 0.931 nan 8.310 nan 0.000 0.504 1269 S N 2.231 117.926 115.700 -0.009 0.000 2.399 1269 S HA -0.018 4.452 4.470 -0.000 0.000 0.231 1269 S C 1.778 176.460 174.600 0.135 0.000 1.022 1269 S CA 1.077 59.361 58.200 0.140 0.000 0.983 1269 S CB -0.859 62.439 63.200 0.163 0.000 0.803 1269 S HN 0.592 nan 8.310 nan 0.000 0.480 1270 I N 0.245 120.874 120.570 0.098 0.000 2.286 1270 I HA -0.041 4.129 4.170 -0.000 0.000 0.245 1270 I C 2.332 178.436 176.117 -0.021 0.000 1.104 1270 I CA 1.342 62.678 61.300 0.060 0.000 1.397 1270 I CB -0.395 37.650 38.000 0.074 0.000 1.072 1270 I HN 0.257 nan 8.210 nan 0.000 0.417 1271 F N 1.496 121.301 119.950 -0.242 0.000 2.091 1271 F HA -0.289 4.238 4.527 -0.000 0.000 0.299 1271 F C 2.004 177.529 175.800 -0.459 0.000 1.103 1271 F CA 1.866 59.615 58.000 -0.418 0.000 1.228 1271 F CB -0.318 38.246 39.000 -0.726 0.000 0.984 1271 F HN -0.089 nan 8.300 nan 0.000 0.477 1272 F N 0.047 120.033 119.950 0.061 0.000 2.558 1272 F HA 0.136 4.662 4.527 -0.000 0.000 0.298 1272 F C 2.347 178.104 175.800 -0.071 0.000 1.119 1272 F CA 0.657 58.636 58.000 -0.035 0.000 1.451 1272 F CB -1.200 37.814 39.000 0.024 0.000 1.091 1272 F HN 0.065 nan 8.300 nan 0.000 0.563 1273 A N 0.320 123.185 122.820 0.077 0.000 1.929 1273 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 1273 A C 2.239 179.793 177.584 -0.050 0.000 1.176 1273 A CA 1.205 53.262 52.037 0.033 0.000 0.628 1273 A CB -0.901 18.123 19.000 0.040 0.000 0.816 1273 A HN 0.340 nan 8.150 nan 0.000 0.444 1274 I N -0.449 120.022 120.570 -0.164 0.000 2.163 1274 I HA -0.304 3.865 4.170 -0.000 0.000 0.243 1274 I C 2.557 178.574 176.117 -0.166 0.000 1.085 1274 I CA 1.948 63.106 61.300 -0.236 0.000 1.347 1274 I CB -0.243 37.513 38.000 -0.406 0.000 1.044 1274 I HN 0.338 nan 8.210 nan 0.000 0.408 1275 K N 0.605 120.873 120.400 -0.220 0.000 2.097 1275 K HA -0.230 4.090 4.320 -0.000 0.000 0.206 1275 K C 1.676 178.354 176.600 0.129 0.000 1.049 1275 K CA 1.795 58.054 56.287 -0.048 0.000 0.933 1275 K CB -0.009 32.398 32.500 -0.155 0.000 0.717 1275 K HN 0.228 nan 8.250 nan 0.000 0.442 1276 D N 0.004 120.449 120.400 0.075 0.000 2.117 1276 D HA -0.094 4.545 4.640 -0.000 0.000 0.198 1276 D C 1.704 178.051 176.300 0.079 0.000 0.982 1276 D CA 1.250 55.306 54.000 0.094 0.000 0.828 1276 D CB -0.127 40.717 40.800 0.073 0.000 0.967 1276 D HN 0.310 nan 8.370 nan 0.000 0.464 1277 A N 0.565 123.410 122.820 0.042 0.000 1.898 1277 A HA -0.116 4.203 4.320 -0.000 0.000 0.216 1277 A C 2.360 179.962 177.584 0.029 0.000 1.181 1277 A CA 0.810 52.869 52.037 0.036 0.000 0.620 1277 A CB -0.707 18.301 19.000 0.014 0.000 0.819 1277 A HN 0.195 nan 8.150 nan 0.000 0.442 1278 I N -0.852 119.726 120.570 0.014 0.000 2.208 1278 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 1278 I C 2.694 178.733 176.117 -0.129 0.000 1.097 1278 I CA 1.835 63.095 61.300 -0.068 0.000 1.363 1278 I CB -0.326 37.617 38.000 -0.095 0.000 1.051 1278 I HN 0.385 nan 8.210 nan 0.000 0.413 1279 R N 1.112 121.644 120.500 0.053 0.000 2.103 1279 R HA -0.235 4.105 4.340 -0.000 0.000 0.242 1279 R C 2.349 178.666 176.300 0.028 0.000 1.142 1279 R CA 1.857 58.019 56.100 0.103 0.000 0.960 1279 R CB -0.295 30.169 30.300 0.275 0.000 0.858 1279 R HN 0.394 nan 8.270 nan 0.000 0.439 1280 A N 0.449 123.289 122.820 0.033 0.000 1.902 1280 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 1280 A C 2.345 179.919 177.584 -0.016 0.000 1.181 1280 A CA 1.621 53.667 52.037 0.015 0.000 0.623 1280 A CB -0.754 18.270 19.000 0.040 0.000 0.818 1280 A HN 0.551 nan 8.150 nan 0.000 0.443 1281 A N -0.226 122.588 122.820 -0.010 0.000 1.933 1281 A HA -0.142 4.177 4.320 -0.000 0.000 0.218 1281 A C 2.239 179.839 177.584 0.027 0.000 1.175 1281 A CA 1.510 53.551 52.037 0.007 0.000 0.628 1281 A CB -0.412 18.607 19.000 0.031 0.000 0.814 1281 A HN 0.551 nan 8.150 nan 0.000 0.444 1282 R N -0.586 119.884 120.500 -0.049 0.000 2.090 1282 R HA 0.023 4.362 4.340 -0.000 0.000 0.228 1282 R C 2.401 178.693 176.300 -0.014 0.000 1.110 1282 R CA 1.015 57.086 56.100 -0.047 0.000 0.973 1282 R CB -0.393 29.792 30.300 -0.191 0.000 0.869 1282 R HN 0.492 nan 8.270 nan 0.000 0.440 1283 A N 0.858 123.659 122.820 -0.032 0.000 1.972 1283 A HA -0.226 4.093 4.320 -0.000 0.000 0.219 1283 A C 2.082 179.607 177.584 -0.098 0.000 1.169 1283 A CA 1.344 53.359 52.037 -0.037 0.000 0.635 1283 A CB -0.312 18.675 19.000 -0.021 0.000 0.810 1283 A HN 0.210 nan 8.150 nan 0.000 0.446 1284 Q N -0.008 119.689 119.800 -0.171 0.000 2.167 1284 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 1284 Q C 0.760 176.405 176.000 -0.591 0.000 0.970 1284 Q CA 1.822 57.400 55.803 -0.375 0.000 0.855 1284 Q CB -0.495 27.966 28.738 -0.463 0.000 0.911 1284 Q HN 0.807 nan 8.270 nan 0.000 0.438 1285 H N -0.947 118.055 119.070 -0.113 0.000 2.645 1285 H HA 0.389 4.945 4.556 -0.000 0.000 0.300 1285 H C 0.993 176.286 175.328 -0.058 0.000 1.065 1285 H CA 0.384 56.380 56.048 -0.087 0.000 1.173 1285 H CB 0.145 29.855 29.762 -0.086 0.000 1.383 1285 H HN 0.462 nan 8.280 nan 0.000 0.566 1286 G N 0.341 109.121 108.800 -0.034 0.000 5.353 1286 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.283 1286 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.283 1286 G C 0.104 175.003 174.900 -0.001 0.000 1.457 1286 G CA -0.067 45.019 45.100 -0.023 0.000 0.951 1286 G HN 0.474 nan 8.290 nan 0.000 0.731 1287 D N 2.501 122.909 120.400 0.013 0.000 3.304 1287 D HA -0.034 4.606 4.640 -0.000 0.000 0.241 1287 D C 1.434 177.748 176.300 0.024 0.000 1.310 1287 D CA 0.993 55.005 54.000 0.020 0.000 0.884 1287 D CB -0.078 40.735 40.800 0.022 0.000 1.167 1287 D HN 0.531 nan 8.370 nan 0.000 0.598 1288 N N 2.082 120.801 118.700 0.031 0.000 2.016 1288 N HA -0.202 4.538 4.740 -0.000 0.000 0.194 1288 N C 0.522 176.068 175.510 0.061 0.000 1.078 1288 N CA 1.700 54.782 53.050 0.053 0.000 0.894 1288 N CB -0.081 38.440 38.487 0.057 0.000 1.073 1288 N HN 0.573 nan 8.380 nan 0.000 0.480 1289 A N 0.681 123.539 122.820 0.062 0.000 1.897 1289 A HA -0.229 4.091 4.320 -0.000 0.000 0.251 1289 A C -0.259 177.363 177.584 0.063 0.000 1.288 1289 A CA 1.205 53.276 52.037 0.057 0.000 0.747 1289 A CB -1.515 17.507 19.000 0.036 0.000 1.182 1289 A HN 0.501 nan 8.150 nan 0.000 0.292 1290 K N 1.426 121.885 120.400 0.099 0.000 2.138 1290 K HA 0.475 4.795 4.320 -0.000 0.000 0.263 1290 K C 0.774 177.484 176.600 0.183 0.000 0.965 1290 K CA -0.197 56.165 56.287 0.125 0.000 0.868 1290 K CB 1.294 33.871 32.500 0.129 0.000 1.083 1290 K HN 0.494 nan 8.250 nan 0.000 0.443 1291 Q N 2.478 122.370 119.800 0.155 0.000 2.045 1291 Q HA -0.130 4.210 4.340 -0.000 0.000 0.206 1291 Q C 0.256 176.374 176.000 0.197 0.000 0.991 1291 Q CA 1.576 57.482 55.803 0.172 0.000 0.851 1291 Q CB -0.049 28.759 28.738 0.116 0.000 0.911 1291 Q HN 0.715 nan 8.270 nan 0.000 0.418 1292 L N 2.831 124.139 121.223 0.141 0.000 2.466 1292 L HA 0.282 4.622 4.340 -0.000 0.000 0.248 1292 L C -0.502 176.413 176.870 0.076 0.000 1.240 1292 L CA -1.002 53.874 54.840 0.060 0.000 1.180 1292 L CB -0.548 41.557 42.059 0.076 0.000 1.413 1292 L HN 0.209 nan 8.230 nan 0.000 0.406 1293 F N -0.603 119.409 119.950 0.104 0.000 2.380 1293 F HA 0.526 5.053 4.527 -0.000 0.000 0.325 1293 F C 0.440 176.347 175.800 0.178 0.000 1.136 1293 F CA -1.119 56.949 58.000 0.113 0.000 1.171 1293 F CB 0.380 39.424 39.000 0.073 0.000 1.230 1293 F HN 0.149 nan 8.300 nan 0.000 0.554 1294 Q N 1.893 121.909 119.800 0.360 0.000 2.286 1294 Q HA 0.485 4.825 4.340 -0.000 0.000 0.257 1294 Q C -1.682 174.536 176.000 0.363 0.000 0.941 1294 Q CA -0.405 55.586 55.803 0.313 0.000 0.912 1294 Q CB 1.332 30.214 28.738 0.241 0.000 1.192 1294 Q HN 0.785 nan 8.270 nan 0.000 0.410 1295 L N 4.539 125.985 121.223 0.372 0.000 2.471 1295 L HA 0.459 4.799 4.340 -0.000 0.000 0.263 1295 L C -1.366 175.722 176.870 0.363 0.000 0.985 1295 L CA -0.298 54.723 54.840 0.303 0.000 0.868 1295 L CB 1.369 43.528 42.059 0.166 0.000 1.203 1295 L HN 0.651 nan 8.230 nan 0.000 0.429 1296 D N 1.208 121.760 120.400 0.253 0.000 2.371 1296 D HA 0.221 4.861 4.640 -0.000 0.000 0.242 1296 D C -0.293 176.207 176.300 0.334 0.000 1.218 1296 D CA 0.108 54.250 54.000 0.236 0.000 0.945 1296 D CB 1.467 42.408 40.800 0.235 0.000 1.137 1296 D HN 0.433 nan 8.370 nan 0.000 0.464 1297 S N 0.084 115.917 115.700 0.222 0.000 2.509 1297 S HA 0.517 4.986 4.470 -0.000 0.000 0.297 1297 S C -2.665 172.034 174.600 0.166 0.000 1.118 1297 S CA -1.505 56.823 58.200 0.213 0.000 1.074 1297 S CB 1.307 64.493 63.200 -0.023 0.000 1.038 1297 S HN 0.142 nan 8.310 nan 0.000 0.498 1298 P HA 0.271 nan 4.420 nan 0.000 0.282 1298 P C -1.255 176.164 177.300 0.198 0.000 1.249 1298 P CA -0.540 62.669 63.100 0.182 0.000 0.806 1298 P CB 0.851 32.596 31.700 0.075 0.000 0.984 1299 A N 2.610 125.577 122.820 0.246 0.000 2.990 1299 A HA 0.370 4.690 4.320 -0.000 0.000 0.282 1299 A C 0.942 178.523 177.584 -0.005 0.000 1.688 1299 A CA -0.131 51.940 52.037 0.056 0.000 1.391 1299 A CB -1.364 17.535 19.000 -0.168 0.000 1.112 1299 A HN 0.595 nan 8.150 nan 0.000 0.588 1300 T N -0.658 113.889 114.554 -0.011 0.000 2.824 1300 T HA 0.415 4.765 4.350 -0.000 0.000 0.277 1300 T C -1.757 172.879 174.700 -0.105 0.000 0.975 1300 T CA -1.563 60.516 62.100 -0.036 0.000 0.966 1300 T CB 0.585 69.426 68.868 -0.044 0.000 1.054 1300 T HN 0.155 nan 8.240 nan 0.000 0.533 1301 P HA -0.132 nan 4.420 nan 0.000 0.216 1301 P C 1.519 178.454 177.300 -0.608 0.000 1.150 1301 P CA 1.121 64.135 63.100 -0.144 0.000 0.843 1301 P CB 0.046 31.791 31.700 0.075 0.000 0.787 1302 E N 0.438 120.028 120.200 -1.017 0.000 2.038 1302 E HA -0.244 4.105 4.350 -0.000 0.000 0.195 1302 E C 1.748 177.956 176.600 -0.654 0.000 1.000 1302 E CA 1.482 56.960 56.400 -1.537 0.000 0.803 1302 E CB -0.183 29.040 29.700 -0.795 0.000 0.750 1302 E HN 0.185 nan 8.360 nan 0.000 0.448 1303 K N 0.053 120.260 120.400 -0.321 0.000 2.097 1303 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 1303 K C 2.305 178.831 176.600 -0.125 0.000 1.050 1303 K CA 1.119 57.319 56.287 -0.145 0.000 0.938 1303 K CB -0.088 32.386 32.500 -0.044 0.000 0.718 1303 K HN 0.260 nan 8.250 nan 0.000 0.442 1304 I N 0.724 121.206 120.570 -0.146 0.000 2.202 1304 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 1304 I C 2.630 178.709 176.117 -0.065 0.000 1.091 1304 I CA 1.018 62.262 61.300 -0.094 0.000 1.368 1304 I CB -0.137 37.818 38.000 -0.076 0.000 1.058 1304 I HN 0.059 nan 8.210 nan 0.000 0.410 1305 R N 1.567 122.023 120.500 -0.073 0.000 2.075 1305 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 1305 R C 1.898 178.214 176.300 0.026 0.000 1.126 1305 R CA 1.685 57.811 56.100 0.043 0.000 0.963 1305 R CB -0.490 29.953 30.300 0.238 0.000 0.858 1305 R HN 0.273 nan 8.270 nan 0.000 0.435 1306 N N 0.217 118.897 118.700 -0.033 0.000 2.309 1306 N HA -0.070 4.670 4.740 -0.000 0.000 0.182 1306 N C 1.225 176.720 175.510 -0.025 0.000 1.018 1306 N CA 1.414 54.461 53.050 -0.006 0.000 0.876 1306 N CB -0.232 38.242 38.487 -0.021 0.000 0.972 1306 N HN 0.388 nan 8.380 nan 0.000 0.434 1307 A N -0.321 122.469 122.820 -0.051 0.000 2.067 1307 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 1307 A C 1.090 178.570 177.584 -0.174 0.000 1.156 1307 A CA 0.193 52.167 52.037 -0.106 0.000 0.683 1307 A CB -0.227 18.714 19.000 -0.097 0.000 0.808 1307 A HN 0.319 nan 8.150 nan 0.000 0.455 1308 C N 2.384 121.628 119.300 -0.093 0.000 2.756 1308 C HA 0.399 4.859 4.460 -0.000 0.000 0.504 1308 C C 0.895 175.851 174.990 -0.056 0.000 1.028 1308 C CA -0.937 58.045 59.018 -0.061 0.000 1.167 1308 C CB -2.479 25.277 27.740 0.026 0.000 1.444 1308 C HN 0.447 nan 8.230 nan 0.000 0.577 1309 V N 1.455 121.311 119.914 -0.098 0.000 2.673 1309 V HA 0.561 4.681 4.120 -0.000 0.000 0.303 1309 V C -0.127 175.847 176.094 -0.200 0.000 1.046 1309 V CA 0.261 62.500 62.300 -0.102 0.000 1.126 1309 V CB 0.597 32.371 31.823 -0.082 0.000 0.934 1309 V HN 0.761 nan 8.190 nan 0.000 0.487 1310 D N 2.231 122.495 120.400 -0.228 0.000 2.851 1310 D HA 0.168 4.808 4.640 -0.000 0.000 0.339 1310 D C 0.819 176.912 176.300 -0.344 0.000 1.347 1310 D CA -0.075 53.656 54.000 -0.449 0.000 0.888 1310 D CB 0.588 41.086 40.800 -0.503 0.000 1.431 1310 D HN 0.432 nan 8.370 nan 0.000 0.509 1311 Q N -0.204 119.295 119.800 -0.503 0.000 2.291 1311 Q HA -0.082 4.258 4.340 -0.000 0.000 0.206 1311 Q C 1.233 176.876 176.000 -0.595 0.000 0.976 1311 Q CA 1.377 56.842 55.803 -0.563 0.000 0.875 1311 Q CB -0.556 27.777 28.738 -0.674 0.000 0.927 1311 Q HN 0.573 nan 8.270 nan 0.000 0.450 1312 F N 2.325 122.169 119.950 -0.177 0.000 2.179 1312 F HA -0.059 4.467 4.527 -0.000 0.000 0.292 1312 F C 2.926 178.650 175.800 -0.128 0.000 1.089 1312 F CA 1.390 59.289 58.000 -0.169 0.000 1.295 1312 F CB -0.854 38.023 39.000 -0.204 0.000 1.041 1312 F HN 0.179 nan 8.300 nan 0.000 0.487 1313 T N -2.708 111.873 114.554 0.046 0.000 2.788 1313 T HA -0.172 4.177 4.350 -0.000 0.000 0.268 1313 T C 1.847 176.526 174.700 -0.035 0.000 1.044 1313 T CA 1.933 64.036 62.100 0.006 0.000 1.139 1313 T CB -1.124 67.741 68.868 -0.005 0.000 0.867 1313 T HN 0.184 nan 8.240 nan 0.000 0.454 1314 T N 2.261 116.770 114.554 -0.075 0.000 2.746 1314 T HA 0.030 4.380 4.350 -0.000 0.000 0.267 1314 T C 1.782 176.441 174.700 -0.069 0.000 1.039 1314 T CA 1.279 63.334 62.100 -0.076 0.000 1.142 1314 T CB -0.521 68.287 68.868 -0.100 0.000 0.866 1314 T HN 0.271 nan 8.240 nan 0.000 0.444 1315 L N 0.935 122.108 121.223 -0.083 0.000 2.027 1315 L HA -0.008 4.332 4.340 -0.000 0.000 0.206 1315 L C 2.462 179.302 176.870 -0.050 0.000 1.074 1315 L CA 1.524 56.322 54.840 -0.070 0.000 0.745 1315 L CB -1.135 40.877 42.059 -0.077 0.000 0.898 1315 L HN 0.287 nan 8.230 nan 0.000 0.433 1316 C N -1.497 117.780 119.300 -0.039 0.000 2.429 1316 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 1316 C C 2.726 177.694 174.990 -0.038 0.000 1.262 1316 C CA 1.034 60.027 59.018 -0.041 0.000 1.733 1316 C CB -0.795 26.921 27.740 -0.039 0.000 2.010 1316 C HN 0.504 nan 8.230 nan 0.000 0.483 1317 V N 0.757 120.652 119.914 -0.031 0.000 2.446 1317 V HA -0.095 4.025 4.120 -0.000 0.000 0.244 1317 V C 2.641 178.719 176.094 -0.028 0.000 1.039 1317 V CA 2.363 64.648 62.300 -0.025 0.000 1.045 1317 V CB -0.927 30.886 31.823 -0.018 0.000 0.681 1317 V HN 0.779 nan 8.190 nan 0.000 0.459 1318 T N -2.295 112.239 114.554 -0.033 0.000 2.983 1318 T HA 0.208 4.557 4.350 -0.000 0.000 0.250 1318 T C 1.437 176.118 174.700 -0.031 0.000 1.037 1318 T CA 1.079 63.161 62.100 -0.031 0.000 1.142 1318 T CB 0.101 68.950 68.868 -0.031 0.000 0.876 1318 T HN 0.417 nan 8.240 nan 0.000 0.455 1319 G N 0.745 109.523 108.800 -0.035 0.000 3.198 1319 G HA2 0.624 4.584 3.960 -0.000 0.000 0.203 1319 G HA3 0.624 4.584 3.960 -0.000 0.000 0.203 1319 G C -0.530 174.342 174.900 -0.047 0.000 1.950 1319 G CA 0.327 45.401 45.100 -0.043 0.000 0.798 1319 G HN 0.640 nan 8.290 nan 0.000 0.720 1320 V N 0.000 119.886 119.914 -0.047 0.000 2.409 1320 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1320 V CA 0.000 62.270 62.300 -0.050 0.000 1.235 1320 V CB 0.000 31.784 31.823 -0.065 0.000 1.184 1320 V HN 0.000 nan 8.190 nan 0.000 0.556