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 3h0g_1_B DATA FIRST_RESID 10 DATA SEQUENCE ETLTQEDCWT VISSFFEETS LARQQLFSFD EFVQNTMQEI VDDDSTLTXX DATA SEQUENCE XXXXXXXXXX XXXXXXXINF GQIYLSRPTM TEADGSTTTM FPQEARLRNL DATA SEQUENCE TYSSPLYVDM RKXXXXXXXX XXXXXXXXXX XXXEDEEPSK VFIGKIPIML DATA SEQUENCE RSTFCILNGV SDSELYDLNE CPYDQGGYFI INGSEKVIIA QERSAANIVQ DATA SEQUENCE VFKKAAPSPI AYVAEIRSAL ERGSRLISSM QIKLMARNTE NSGQTIRATL DATA SEQUENCE PYIRSDIPIV IVFRALGVVP DRDILEHICY DPNDFQMLEM MKPCIEEAFV DATA SEQUENCE IQDKDIALDY IGKRGSTTGV TREKRLRYAH DILQKELLPH ITTMEGFETR DATA SEQUENCE KAFFLGYMIH RMLLCALERR EPDDRDHFGK KRLDLAGPLL ASLFRMLFRK DATA SEQUENCE MTRDVYKYMQ KCVETNREFN LTLAVKSNII TNGLRYSLAT GNWGDQKRSM DATA SEQUENCE VNRVGVSQVL NRYTFASTLS HLRRTNTPIG RDGKLAKPRQ LHNTHWGMVC DATA SEQUENCE PAETPEGQAC GLVKNLSLMS YVSVGSPSAP IIEFLEEWGL ETLEDYNPSA DATA SEQUENCE SPNATKVFVN GVWLGVHRDP AHLTETLRSL RRRLDISAEV SIVRDIREKE DATA SEQUENCE LRLFTDAGRI CRPLFIVDNN PNSERRGELC IRKEHIQQLI EDKDRYDIDP DATA SEQUENCE EQRFGWTALV SSGLIEYLDA EEEETVMIAM SPEDLEASRQ MQAGYEVKEE DATA SEQUENCE LDPAQRVKPA PNPHVHAWTH CEIHPAMILG ILASIIPFPD HNQSPRNTYQ DATA SEQUENCE SAMGKQAMGV YLTNYQVRMD TMANILYYPQ KPLATTRSME YLKFRELPAG DATA SEQUENCE QNAIVAILCY SGYNQEDSII MNQASIDRGL FRSIFYRTYT DQEKKIGMTV DATA SEQUENCE MEEFERPVRS TTLRMKHGTY DKLEDDGLIA PGTRVSGEDI IIGKTAPIXX DATA SEQUENCE XXXXXXXXXQ LHAKRDVSTP LRSTESGIVD QVMVTTNQEG LKFVKVRMRS DATA SEQUENCE TRIPQIGDKF ASRHGQKGTI GMTYRHEDMP FSAQGIVPDI IINPHAIPSR DATA SEQUENCE MTVAHLVECQ LSKVSALSGF EGDATPFTDV TVEAVSKLLR SHGFQSRGFE DATA SEQUENCE VMYHGHTGRK LVAQVFLGPT YYQRLKHLVD DKIHARARGP VQILTRQPVE DATA SEQUENCE GRSRDGGLRF GEMERDCQIS HGCSSVLRER LFDCSDAYRV IVCDIcGLIA DATA SEQUENCE IASYKKDSYE CRScQNRTRF SQVYLPYAAK LLFQELMSMN IAPRLFTKNH DATA SEQUENCE K 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 10 E HA 0.000 nan 4.350 nan 0.000 0.291 10 E C 0.000 176.598 176.600 -0.004 0.000 1.382 10 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 10 E CB 0.000 29.698 29.700 -0.004 0.000 0.812 11 T N 2.940 117.488 114.554 -0.010 0.000 3.786 11 T HA 0.126 4.475 4.350 -0.002 0.000 0.312 11 T C -0.237 174.447 174.700 -0.028 0.000 0.902 11 T CA 0.170 62.262 62.100 -0.012 0.000 1.133 11 T CB 0.191 69.059 68.868 -0.000 0.000 1.109 11 T HN 0.569 nan 8.240 nan 0.000 0.521 12 L N 2.008 123.216 121.223 -0.024 0.000 1.714 12 L HA -0.074 4.265 4.340 -0.002 0.000 0.484 12 L C -0.894 175.963 176.870 -0.021 0.000 1.002 12 L CA 0.589 55.406 54.840 -0.038 0.000 1.207 12 L CB -1.048 40.959 42.059 -0.086 0.000 1.513 12 L HN 0.570 nan 8.230 nan 0.000 0.810 13 T N 4.001 118.556 114.554 0.002 0.000 2.950 13 T HA 0.450 4.799 4.350 -0.002 0.000 0.288 13 T C 0.941 175.669 174.700 0.046 0.000 1.035 13 T CA 0.303 62.418 62.100 0.026 0.000 1.028 13 T CB 1.516 70.410 68.868 0.044 0.000 1.109 13 T HN 0.720 nan 8.240 nan 0.000 0.514 14 Q N 0.625 120.470 119.800 0.076 0.000 2.119 14 Q HA -0.094 4.245 4.340 -0.002 0.000 0.201 14 Q C 1.783 177.902 176.000 0.200 0.000 0.972 14 Q CA 1.523 57.401 55.803 0.125 0.000 0.847 14 Q CB 0.037 28.876 28.738 0.168 0.000 0.903 14 Q HN 0.749 nan 8.270 nan 0.000 0.433 15 E N 0.679 121.005 120.200 0.211 0.000 2.396 15 E HA -0.179 4.170 4.350 -0.002 0.000 0.200 15 E C 1.062 177.808 176.600 0.244 0.000 1.023 15 E CA 0.758 57.319 56.400 0.269 0.000 0.857 15 E CB 0.054 29.855 29.700 0.169 0.000 0.775 15 E HN 0.350 nan 8.360 nan 0.000 0.525 16 D N 0.218 120.715 120.400 0.161 0.000 2.162 16 D HA -0.066 4.573 4.640 -0.002 0.000 0.205 16 D C 1.926 178.307 176.300 0.136 0.000 0.964 16 D CA 0.542 54.619 54.000 0.129 0.000 0.847 16 D CB -0.431 40.412 40.800 0.071 0.000 0.988 16 D HN 0.199 nan 8.370 nan 0.000 0.480 17 C N 0.302 119.653 119.300 0.086 0.000 2.403 17 C HA -0.163 4.296 4.460 -0.002 0.000 0.277 17 C C 2.561 177.545 174.990 -0.010 0.000 1.248 17 C CA 0.335 59.375 59.018 0.036 0.000 1.762 17 C CB -1.456 26.243 27.740 -0.067 0.000 2.014 17 C HN 0.481 nan 8.230 nan 0.000 0.486 18 W N -0.126 121.231 121.300 0.096 0.000 2.388 18 W HA -0.105 4.554 4.660 -0.002 0.000 0.294 18 W C 2.870 179.457 176.519 0.113 0.000 1.212 18 W CA 1.426 58.820 57.345 0.081 0.000 1.271 18 W CB -0.885 28.606 29.460 0.053 0.000 1.126 18 W HN 0.165 nan 8.180 nan 0.000 0.535 19 T N -0.490 114.256 114.554 0.320 0.000 3.051 19 T HA -0.093 4.256 4.350 -0.002 0.000 0.269 19 T C 1.534 176.337 174.700 0.171 0.000 1.127 19 T CA 1.093 63.328 62.100 0.226 0.000 1.107 19 T CB -0.164 68.808 68.868 0.174 0.000 0.898 19 T HN -0.101 nan 8.240 nan 0.000 0.517 20 V N 1.532 121.549 119.914 0.172 0.000 2.374 20 V HA 0.071 4.191 4.120 -0.002 0.000 0.241 20 V C 2.232 178.385 176.094 0.098 0.000 1.034 20 V CA 1.454 63.855 62.300 0.168 0.000 1.037 20 V CB -0.172 31.811 31.823 0.266 0.000 0.682 20 V HN 0.713 nan 8.190 nan 0.000 0.463 21 I N 0.294 120.879 120.570 0.025 0.000 3.176 21 I HA -0.043 4.126 4.170 -0.002 0.000 0.275 21 I C 2.235 178.255 176.117 -0.161 0.000 1.298 21 I CA 1.647 62.846 61.300 -0.168 0.000 1.445 21 I CB -0.736 37.140 38.000 -0.206 0.000 1.075 21 I HN 0.271 nan 8.210 nan 0.000 0.482 22 S N -0.262 115.448 115.700 0.016 0.000 2.406 22 S HA -0.146 4.323 4.470 -0.002 0.000 0.228 22 S C 2.087 176.668 174.600 -0.032 0.000 1.020 22 S CA 1.019 59.228 58.200 0.014 0.000 0.965 22 S CB -0.938 62.453 63.200 0.318 0.000 0.798 22 S HN 0.566 nan 8.310 nan 0.000 0.488 23 S N 1.000 116.682 115.700 -0.030 0.000 2.368 23 S HA -0.111 4.358 4.470 -0.002 0.000 0.225 23 S C 1.496 175.961 174.600 -0.225 0.000 1.030 23 S CA 1.250 59.418 58.200 -0.053 0.000 0.999 23 S CB -0.872 62.352 63.200 0.039 0.000 0.844 23 S HN 0.601 nan 8.310 nan 0.000 0.459 24 F N 1.156 120.675 119.950 -0.717 0.000 2.154 24 F HA -0.083 4.443 4.527 -0.002 0.000 0.301 24 F C 1.373 176.603 175.800 -0.950 0.000 1.087 24 F CA 1.642 58.802 58.000 -1.399 0.000 1.274 24 F CB -0.436 37.285 39.000 -2.132 0.000 1.009 24 F HN 0.307 nan 8.300 nan 0.000 0.485 25 F N -0.267 119.481 119.950 -0.337 0.000 2.797 25 F HA 0.046 4.572 4.527 -0.002 0.000 0.302 25 F C 2.274 177.970 175.800 -0.174 0.000 1.130 25 F CA 0.337 58.188 58.000 -0.249 0.000 1.387 25 F CB -0.321 38.530 39.000 -0.249 0.000 1.107 25 F HN 0.028 nan 8.300 nan 0.000 0.577 26 E N 0.987 121.149 120.200 -0.063 0.000 2.112 26 E HA -0.177 4.172 4.350 -0.002 0.000 0.190 26 E C 1.799 178.349 176.600 -0.084 0.000 0.979 26 E CA 1.175 57.554 56.400 -0.035 0.000 0.814 26 E CB 0.221 29.892 29.700 -0.049 0.000 0.762 26 E HN 0.580 nan 8.360 nan 0.000 0.460 27 E N -0.932 119.162 120.200 -0.177 0.000 2.134 27 E HA -0.002 4.347 4.350 -0.002 0.000 0.194 27 E C 1.895 178.359 176.600 -0.226 0.000 0.937 27 E CA 0.702 57.008 56.400 -0.157 0.000 0.874 27 E CB 0.106 29.735 29.700 -0.117 0.000 0.853 27 E HN 0.001 nan 8.360 nan 0.000 0.471 28 T N 1.039 115.302 114.554 -0.486 0.000 2.833 28 T HA -0.143 4.206 4.350 -0.002 0.000 0.269 28 T C 0.817 175.328 174.700 -0.315 0.000 1.054 28 T CA 1.032 62.784 62.100 -0.580 0.000 1.135 28 T CB -0.491 67.548 68.868 -1.381 0.000 0.869 28 T HN 0.556 nan 8.240 nan 0.000 0.466 29 S N -0.422 115.163 115.700 -0.192 0.000 3.410 29 S HA -0.215 4.254 4.470 -0.002 0.000 0.640 29 S C -0.214 174.498 174.600 0.186 0.000 2.552 29 S CA -0.171 58.081 58.200 0.086 0.000 2.728 29 S CB -1.265 61.973 63.200 0.063 0.000 0.329 29 S HN 0.407 nan 8.310 nan 0.000 1.792 30 L N 1.487 122.855 121.223 0.241 0.000 2.421 30 L HA 0.628 4.968 4.340 -0.002 0.000 0.263 30 L C 1.745 178.705 176.870 0.149 0.000 1.122 30 L CA -0.103 54.881 54.840 0.240 0.000 0.804 30 L CB 0.629 42.817 42.059 0.216 0.000 1.150 30 L HN 2.000 nan 8.230 nan 0.000 0.457 31 A N 0.679 123.579 122.820 0.132 0.000 3.420 31 A HA -0.268 4.051 4.320 -0.002 0.000 0.269 31 A C 2.145 179.774 177.584 0.075 0.000 1.122 31 A CA 1.406 53.497 52.037 0.091 0.000 1.023 31 A CB -1.513 17.537 19.000 0.082 0.000 1.099 31 A HN 0.919 nan 8.150 nan 0.000 0.860 32 R N 0.539 121.080 120.500 0.067 0.000 2.190 32 R HA -0.232 4.107 4.340 -0.002 0.000 0.255 32 R C 1.039 177.362 176.300 0.039 0.000 1.143 32 R CA 2.386 58.502 56.100 0.028 0.000 0.965 32 R CB -0.421 29.849 30.300 -0.051 0.000 0.889 32 R HN 0.964 nan 8.270 nan 0.000 0.448 33 Q N 0.476 120.274 119.800 -0.004 0.000 2.441 33 Q HA 0.117 4.456 4.340 -0.002 0.000 0.234 33 Q C -0.141 175.896 176.000 0.062 0.000 1.078 33 Q CA -0.036 55.776 55.803 0.015 0.000 0.907 33 Q CB 1.842 30.487 28.738 -0.155 0.000 1.269 33 Q HN 0.324 nan 8.270 nan 0.000 0.502 34 Q N 2.869 122.739 119.800 0.115 0.000 2.135 34 Q HA 0.112 4.451 4.340 -0.002 0.000 0.175 34 Q C 0.500 176.537 176.000 0.063 0.000 0.703 34 Q CA 0.513 56.358 55.803 0.070 0.000 0.834 34 Q CB 0.442 29.200 28.738 0.034 0.000 1.229 34 Q HN 0.492 nan 8.270 nan 0.000 0.388 35 L N -1.279 119.984 121.223 0.067 0.000 3.271 35 L HA -0.215 4.124 4.340 -0.002 0.000 0.429 35 L C 0.138 177.154 176.870 0.244 0.000 0.724 35 L CA 1.771 56.674 54.840 0.104 0.000 2.742 35 L CB -1.199 40.906 42.059 0.076 0.000 0.986 35 L HN 0.535 nan 8.230 nan 0.000 0.656 36 F N -1.579 118.408 119.950 0.061 0.000 2.460 36 F HA 0.135 4.661 4.527 -0.002 0.000 0.386 36 F C 1.642 177.470 175.800 0.047 0.000 0.812 36 F CA 0.935 58.961 58.000 0.043 0.000 0.961 36 F CB -0.188 38.810 39.000 -0.003 0.000 1.034 36 F HN -0.143 nan 8.300 nan 0.000 0.620 37 S N -0.106 115.730 115.700 0.226 0.000 2.603 37 S HA -0.040 4.429 4.470 -0.002 0.000 0.229 37 S C 1.182 175.868 174.600 0.144 0.000 0.972 37 S CA 1.205 59.490 58.200 0.142 0.000 0.935 37 S CB -0.482 62.786 63.200 0.113 0.000 0.769 37 S HN 0.455 nan 8.310 nan 0.000 0.536 38 F N 0.717 120.656 119.950 -0.019 0.000 2.740 38 F HA 0.326 4.852 4.527 -0.002 0.000 0.304 38 F C 1.029 176.815 175.800 -0.024 0.000 1.098 38 F CA -0.078 57.900 58.000 -0.037 0.000 1.258 38 F CB 0.301 39.273 39.000 -0.047 0.000 1.061 38 F HN 0.032 nan 8.300 nan 0.000 0.598 39 D N 1.283 121.656 120.400 -0.046 0.000 2.403 39 D HA -0.085 4.554 4.640 -0.002 0.000 0.227 39 D C 0.050 176.182 176.300 -0.280 0.000 0.995 39 D CA 0.996 54.878 54.000 -0.197 0.000 0.928 39 D CB -0.126 40.471 40.800 -0.339 0.000 0.887 39 D HN 0.493 nan 8.370 nan 0.000 0.529 40 E N -0.682 119.371 120.200 -0.245 0.000 3.108 40 E HA 0.158 4.507 4.350 -0.002 0.000 0.228 40 E C -0.386 176.169 176.600 -0.075 0.000 1.176 40 E CA -0.203 56.088 56.400 -0.181 0.000 0.881 40 E CB 0.653 30.234 29.700 -0.198 0.000 1.354 40 E HN 0.049 nan 8.360 nan 0.000 0.400 41 F N 0.787 120.530 119.950 -0.345 0.000 2.665 41 F HA 0.075 4.602 4.527 -0.002 0.000 0.328 41 F C -0.142 175.422 175.800 -0.393 0.000 0.848 41 F CA 0.163 57.933 58.000 -0.383 0.000 1.071 41 F CB 1.169 39.852 39.000 -0.528 0.000 0.906 41 F HN -0.013 nan 8.300 nan 0.000 0.654 42 V N 3.132 122.816 119.914 -0.384 0.000 5.931 42 V HA -0.291 3.828 4.120 -0.002 0.000 0.317 42 V C 0.814 176.833 176.094 -0.126 0.000 0.562 42 V CA 0.787 62.959 62.300 -0.214 0.000 1.035 42 V CB -2.123 29.562 31.823 -0.230 0.000 1.148 42 V HN 0.528 nan 8.190 nan 0.000 0.523 43 Q N 0.892 120.626 119.800 -0.110 0.000 2.061 43 Q HA -0.143 4.196 4.340 -0.002 0.000 0.204 43 Q C 1.795 177.606 176.000 -0.314 0.000 0.984 43 Q CA 2.820 58.501 55.803 -0.203 0.000 0.846 43 Q CB -0.095 28.556 28.738 -0.144 0.000 0.902 43 Q HN 0.958 nan 8.270 nan 0.000 0.421 44 N N -3.185 115.308 118.700 -0.346 0.000 2.996 44 N HA -0.044 4.695 4.740 -0.002 0.000 0.319 44 N C 0.877 176.237 175.510 -0.250 0.000 1.045 44 N CA 0.984 53.888 53.050 -0.244 0.000 1.512 44 N CB -0.416 37.945 38.487 -0.209 0.000 0.896 44 N HN -0.018 nan 8.380 nan 0.000 1.366 45 T N 0.435 114.815 114.554 -0.290 0.000 3.067 45 T HA 0.129 4.478 4.350 -0.002 0.000 0.261 45 T C 1.623 176.114 174.700 -0.349 0.000 1.110 45 T CA 0.725 62.669 62.100 -0.259 0.000 1.113 45 T CB -0.326 68.411 68.868 -0.219 0.000 0.917 45 T HN 0.287 nan 8.240 nan 0.000 0.499 46 M N 0.685 119.969 119.600 -0.527 0.000 2.254 46 M HA -0.021 4.458 4.480 -0.002 0.000 0.265 46 M C 1.845 177.864 176.300 -0.468 0.000 1.066 46 M CA 1.561 56.462 55.300 -0.666 0.000 1.123 46 M CB -0.519 31.402 32.600 -1.132 0.000 1.388 46 M HN 0.350 nan 8.290 nan 0.000 0.425 47 Q N -0.054 119.529 119.800 -0.362 0.000 2.364 47 Q HA -0.150 4.190 4.340 -0.002 0.000 0.207 47 Q C 1.363 177.249 176.000 -0.190 0.000 0.970 47 Q CA 1.306 56.956 55.803 -0.255 0.000 0.888 47 Q CB 0.000 28.614 28.738 -0.208 0.000 0.951 47 Q HN 0.653 nan 8.270 nan 0.000 0.469 48 E N 0.345 120.431 120.200 -0.190 0.000 2.276 48 E HA -0.029 4.320 4.350 -0.002 0.000 0.193 48 E C 1.972 178.496 176.600 -0.126 0.000 0.983 48 E CA 0.305 56.627 56.400 -0.130 0.000 0.861 48 E CB 0.124 29.757 29.700 -0.112 0.000 0.817 48 E HN 0.484 nan 8.360 nan 0.000 0.485 49 I N -0.674 119.788 120.570 -0.180 0.000 2.546 49 I HA -0.110 4.059 4.170 -0.002 0.000 0.255 49 I C 2.173 178.200 176.117 -0.151 0.000 1.163 49 I CA 0.671 61.879 61.300 -0.153 0.000 1.457 49 I CB -0.185 37.704 38.000 -0.184 0.000 1.092 49 I HN -0.075 nan 8.210 nan 0.000 0.434 50 V N -1.226 118.548 119.914 -0.234 0.000 3.217 50 V HA -0.029 4.090 4.120 -0.002 0.000 0.264 50 V C 1.319 177.382 176.094 -0.052 0.000 1.135 50 V CA 1.386 63.516 62.300 -0.282 0.000 1.142 50 V CB -0.966 30.572 31.823 -0.475 0.000 0.754 50 V HN 0.298 nan 8.190 nan 0.000 0.484 51 D N 0.330 120.716 120.400 -0.025 0.000 2.354 51 D HA 0.026 4.665 4.640 -0.002 0.000 0.209 51 D C 1.416 177.748 176.300 0.052 0.000 1.015 51 D CA 0.665 54.693 54.000 0.047 0.000 0.867 51 D CB 0.033 40.843 40.800 0.016 0.000 0.933 51 D HN 0.414 nan 8.370 nan 0.000 0.520 52 D N 0.815 121.229 120.400 0.025 0.000 2.269 52 D HA -0.066 4.573 4.640 -0.002 0.000 0.208 52 D C 0.182 176.519 176.300 0.061 0.000 0.963 52 D CA 0.963 54.982 54.000 0.031 0.000 0.864 52 D CB 0.112 40.917 40.800 0.007 0.000 0.936 52 D HN 0.325 nan 8.370 nan 0.000 0.505 53 D N -1.200 119.256 120.400 0.093 0.000 2.997 53 D HA 0.015 4.654 4.640 -0.002 0.000 0.362 53 D C -0.427 176.012 176.300 0.231 0.000 1.298 53 D CA -0.372 53.703 54.000 0.125 0.000 0.756 53 D CB -0.580 40.275 40.800 0.092 0.000 1.216 53 D HN -0.130 nan 8.370 nan 0.000 0.496 54 S N -0.875 115.004 115.700 0.299 0.000 2.945 54 S HA 0.400 4.869 4.470 -0.002 0.000 0.227 54 S C 0.119 174.917 174.600 0.331 0.000 1.353 54 S CA -0.434 58.119 58.200 0.587 0.000 1.236 54 S CB 0.109 63.630 63.200 0.535 0.000 1.069 54 S HN 0.279 nan 8.310 nan 0.000 0.509 55 T N 1.387 116.102 114.554 0.267 0.000 2.906 55 T HA 0.743 5.092 4.350 -0.002 0.000 0.295 55 T C -1.529 173.265 174.700 0.157 0.000 1.061 55 T CA -0.774 61.418 62.100 0.153 0.000 1.000 55 T CB 1.596 70.535 68.868 0.118 0.000 1.103 55 T HN 0.613 nan 8.240 nan 0.000 0.486 56 L N 2.975 124.270 121.223 0.119 0.000 3.586 56 L HA 0.354 4.693 4.340 -0.002 0.000 0.267 56 L C 0.082 177.013 176.870 0.102 0.000 0.980 56 L CA -0.481 54.456 54.840 0.162 0.000 1.199 56 L CB 1.642 43.802 42.059 0.168 0.000 1.946 56 L HN 0.863 nan 8.230 nan 0.000 0.595 78 N N 3.955 122.480 118.700 -0.292 0.000 2.335 78 N HA 0.680 5.419 4.740 -0.002 0.000 0.304 78 N C -1.186 174.118 175.510 -0.343 0.000 1.135 78 N CA -0.365 52.534 53.050 -0.252 0.000 0.817 78 N CB 1.870 40.320 38.487 -0.063 0.000 1.294 78 N HN 0.222 nan 8.380 nan 0.000 0.497 79 F N 0.051 120.050 119.950 0.081 0.000 2.415 79 F HA 0.579 5.105 4.527 -0.002 0.000 0.348 79 F C 1.406 177.240 175.800 0.057 0.000 1.119 79 F CA -0.507 57.553 58.000 0.099 0.000 1.069 79 F CB 1.310 40.413 39.000 0.171 0.000 1.124 79 F HN 0.411 nan 8.300 nan 0.000 0.472 80 G N 1.934 110.856 108.800 0.203 0.000 2.641 80 G HA2 0.417 4.376 3.960 -0.002 0.000 0.239 80 G HA3 0.417 4.376 3.960 -0.002 0.000 0.239 80 G C -0.761 174.170 174.900 0.052 0.000 1.402 80 G CA -0.717 44.441 45.100 0.097 0.000 1.046 80 G HN 0.557 nan 8.290 nan 0.000 0.565 81 Q N -1.021 118.765 119.800 -0.023 0.000 2.382 81 Q HA 0.423 4.762 4.340 -0.002 0.000 0.229 81 Q C -0.433 175.509 176.000 -0.096 0.000 1.006 81 Q CA -0.061 55.687 55.803 -0.093 0.000 0.916 81 Q CB 1.991 30.633 28.738 -0.160 0.000 1.235 81 Q HN 0.463 nan 8.270 nan 0.000 0.512 82 I N 0.667 121.160 120.570 -0.128 0.000 2.418 82 I HA 0.258 4.427 4.170 -0.002 0.000 0.287 82 I C -1.241 174.824 176.117 -0.086 0.000 1.008 82 I CA -0.983 60.286 61.300 -0.052 0.000 1.104 82 I CB 0.716 38.695 38.000 -0.035 0.000 1.264 82 I HN 0.576 nan 8.210 nan 0.000 0.438 83 Y N 6.908 127.227 120.300 0.032 0.000 2.620 83 Y HA 0.117 4.667 4.550 -0.002 0.000 0.330 83 Y C 0.207 176.104 175.900 -0.005 0.000 1.186 83 Y CA 0.141 58.252 58.100 0.019 0.000 1.467 83 Y CB 0.481 38.973 38.460 0.053 0.000 1.262 83 Y HN 0.410 nan 8.280 nan 0.000 0.550 84 L N 4.402 125.651 121.223 0.043 0.000 2.313 84 L HA 0.383 4.722 4.340 -0.002 0.000 0.282 84 L C 0.027 176.894 176.870 -0.005 0.000 1.092 84 L CA -0.387 54.381 54.840 -0.121 0.000 0.831 84 L CB 0.397 42.208 42.059 -0.415 0.000 1.159 84 L HN 0.600 nan 8.230 nan 0.000 0.442 85 S N 2.795 118.505 115.700 0.017 0.000 2.532 85 S HA 0.590 5.059 4.470 -0.002 0.000 0.299 85 S C -0.383 174.239 174.600 0.037 0.000 1.105 85 S CA -1.158 57.091 58.200 0.081 0.000 1.018 85 S CB 1.927 65.251 63.200 0.206 0.000 1.021 85 S HN 0.578 nan 8.310 nan 0.000 0.483 86 R N 1.475 122.001 120.500 0.043 0.000 2.641 86 R HA 0.317 4.656 4.340 -0.002 0.000 0.269 86 R C -2.557 173.725 176.300 -0.031 0.000 1.074 86 R CA -1.660 54.450 56.100 0.016 0.000 1.133 86 R CB -0.082 30.230 30.300 0.020 0.000 1.029 86 R HN 0.440 nan 8.270 nan 0.000 0.488 87 P HA -0.026 nan 4.420 nan 0.000 0.265 87 P C -0.516 176.703 177.300 -0.134 0.000 1.222 87 P CA 0.469 63.456 63.100 -0.188 0.000 0.767 87 P CB 0.915 32.344 31.700 -0.451 0.000 0.801 88 T N 2.737 117.248 114.554 -0.072 0.000 2.773 88 T HA 0.822 5.171 4.350 -0.002 0.000 0.278 88 T C -1.219 173.473 174.700 -0.013 0.000 1.011 88 T CA -0.699 61.379 62.100 -0.037 0.000 1.014 88 T CB 0.729 69.596 68.868 -0.002 0.000 1.293 88 T HN 0.230 nan 8.240 nan 0.000 0.554 89 M N 1.679 121.283 119.600 0.007 0.000 2.378 89 M HA 0.577 5.056 4.480 -0.002 0.000 0.289 89 M C -1.254 175.052 176.300 0.009 0.000 1.136 89 M CA -0.177 55.130 55.300 0.013 0.000 0.917 89 M CB 2.257 34.875 32.600 0.030 0.000 1.669 89 M HN 0.589 nan 8.290 nan 0.000 0.461 90 T N 3.626 118.177 114.554 -0.005 0.000 2.848 90 T HA 0.822 5.171 4.350 -0.002 0.000 0.285 90 T C -1.654 173.039 174.700 -0.011 0.000 0.995 90 T CA -0.321 61.771 62.100 -0.013 0.000 0.970 90 T CB 0.797 69.641 68.868 -0.040 0.000 0.976 90 T HN 0.839 nan 8.240 nan 0.000 0.441 91 E N 2.777 122.975 120.200 -0.003 0.000 2.433 91 E HA 0.726 5.075 4.350 -0.002 0.000 0.278 91 E C -0.869 175.733 176.600 0.004 0.000 0.976 91 E CA -1.455 54.946 56.400 0.002 0.000 0.793 91 E CB 1.426 31.132 29.700 0.009 0.000 1.311 91 E HN 0.680 nan 8.360 nan 0.000 0.460 92 A N 1.426 124.250 122.820 0.007 0.000 2.425 92 A HA 0.245 4.564 4.320 -0.002 0.000 0.242 92 A C -0.016 177.576 177.584 0.013 0.000 1.077 92 A CA 0.438 52.480 52.037 0.009 0.000 0.781 92 A CB -0.390 18.617 19.000 0.012 0.000 1.020 92 A HN 0.809 nan 8.150 nan 0.000 0.494 93 D N -0.440 119.967 120.400 0.013 0.000 2.860 93 D HA -0.166 4.473 4.640 -0.002 0.000 0.229 93 D C 0.575 176.885 176.300 0.016 0.000 1.169 93 D CA 2.108 56.117 54.000 0.015 0.000 0.737 93 D CB -1.386 39.425 40.800 0.018 0.000 1.080 93 D HN 0.992 nan 8.370 nan 0.000 0.424 94 G N -1.797 107.012 108.800 0.014 0.000 3.253 94 G HA2 0.771 4.730 3.960 -0.002 0.000 0.175 94 G HA3 0.771 4.730 3.960 -0.002 0.000 0.175 94 G C -0.299 174.610 174.900 0.016 0.000 1.098 94 G CA 0.465 45.575 45.100 0.017 0.000 0.790 94 G HN 0.713 nan 8.290 nan 0.000 0.648 95 S N -2.550 113.161 115.700 0.018 0.000 2.714 95 S HA 0.515 4.984 4.470 -0.002 0.000 0.280 95 S C -1.191 173.422 174.600 0.021 0.000 1.200 95 S CA -0.348 57.863 58.200 0.018 0.000 0.900 95 S CB 1.146 64.359 63.200 0.022 0.000 1.235 95 S HN 0.611 nan 8.310 nan 0.000 0.512 96 T N 2.553 117.121 114.554 0.022 0.000 3.281 96 T HA 0.584 4.933 4.350 -0.002 0.000 0.359 96 T C -0.231 174.495 174.700 0.043 0.000 1.459 96 T CA -0.114 62.001 62.100 0.025 0.000 1.114 96 T CB -0.475 68.403 68.868 0.016 0.000 1.162 96 T HN 0.859 nan 8.240 nan 0.000 0.665 97 T N -0.035 114.554 114.554 0.059 0.000 2.807 97 T HA 0.495 4.844 4.350 -0.002 0.000 0.279 97 T C 0.441 175.190 174.700 0.080 0.000 0.993 97 T CA -0.768 61.391 62.100 0.098 0.000 0.970 97 T CB 1.542 70.497 68.868 0.145 0.000 0.950 97 T HN 0.283 nan 8.240 nan 0.000 0.441 98 T N 3.015 117.590 114.554 0.035 0.000 2.724 98 T HA 0.266 4.615 4.350 -0.002 0.000 0.324 98 T C 0.460 175.082 174.700 -0.130 0.000 1.071 98 T CA -0.392 61.648 62.100 -0.099 0.000 1.061 98 T CB -0.053 68.672 68.868 -0.238 0.000 0.990 98 T HN 0.725 nan 8.240 nan 0.000 0.543 99 M N 2.347 121.853 119.600 -0.157 0.000 2.242 99 M HA 0.444 4.923 4.480 -0.002 0.000 0.344 99 M C -1.272 174.886 176.300 -0.236 0.000 1.140 99 M CA 0.031 55.316 55.300 -0.025 0.000 1.160 99 M CB 0.123 32.800 32.600 0.127 0.000 1.491 99 M HN 0.543 nan 8.290 nan 0.000 0.459 100 F N 5.018 125.041 119.950 0.122 0.000 2.686 100 F HA 0.439 4.965 4.527 -0.002 0.000 0.365 100 F C -2.226 173.612 175.800 0.063 0.000 1.196 100 F CA -1.837 56.219 58.000 0.094 0.000 1.198 100 F CB 0.403 39.436 39.000 0.056 0.000 1.454 100 F HN 0.389 nan 8.300 nan 0.000 0.539 101 P HA 0.195 nan 4.420 nan 0.000 0.274 101 P C -0.241 177.076 177.300 0.029 0.000 1.237 101 P CA -0.355 62.747 63.100 0.004 0.000 0.793 101 P CB 0.905 32.428 31.700 -0.295 0.000 0.977 102 Q N -0.308 119.501 119.800 0.015 0.000 2.280 102 Q HA 0.039 4.378 4.340 -0.002 0.000 0.202 102 Q C 1.106 177.122 176.000 0.027 0.000 0.903 102 Q CA 0.342 56.144 55.803 -0.003 0.000 0.948 102 Q CB -0.350 28.394 28.738 0.010 0.000 1.058 102 Q HN 0.511 nan 8.270 nan 0.000 0.493 103 E N 0.642 120.876 120.200 0.056 0.000 2.331 103 E HA -0.196 4.153 4.350 -0.002 0.000 0.199 103 E C 0.905 177.541 176.600 0.059 0.000 1.008 103 E CA 0.699 57.134 56.400 0.058 0.000 0.843 103 E CB 0.008 29.751 29.700 0.072 0.000 0.761 103 E HN 0.464 nan 8.360 nan 0.000 0.507 104 A N 0.801 123.660 122.820 0.066 0.000 3.720 104 A HA 0.188 4.507 4.320 -0.002 0.000 0.157 104 A C 1.047 178.645 177.584 0.023 0.000 1.736 104 A CA 0.664 52.733 52.037 0.053 0.000 1.289 104 A CB 0.018 19.070 19.000 0.087 0.000 1.598 104 A HN 0.125 nan 8.150 nan 0.000 0.692 105 R N -2.636 117.875 120.500 0.019 0.000 1.467 105 R HA -0.256 4.083 4.340 -0.002 0.000 0.058 105 R C 1.403 177.713 176.300 0.017 0.000 0.956 105 R CA 1.842 57.953 56.100 0.017 0.000 1.821 105 R CB -2.076 28.234 30.300 0.017 0.000 0.298 105 R HN 0.472 nan 8.270 nan 0.000 0.684 106 L N 1.288 122.528 121.223 0.028 0.000 2.187 106 L HA -0.100 4.239 4.340 -0.002 0.000 0.213 106 L C 1.924 178.778 176.870 -0.026 0.000 1.100 106 L CA 1.709 56.588 54.840 0.066 0.000 0.765 106 L CB -1.052 41.060 42.059 0.087 0.000 0.904 106 L HN 0.298 nan 8.230 nan 0.000 0.437 107 R N 0.548 120.968 120.500 -0.133 0.000 2.386 107 R HA -0.011 4.328 4.340 -0.002 0.000 0.216 107 R C 0.331 176.417 176.300 -0.356 0.000 1.119 107 R CA -0.076 55.810 56.100 -0.356 0.000 1.158 107 R CB -0.804 29.383 30.300 -0.189 0.000 1.057 107 R HN 0.477 nan 8.270 nan 0.000 0.489 108 N N 0.518 119.106 118.700 -0.186 0.000 2.654 108 N HA -0.236 4.503 4.740 -0.002 0.000 0.248 108 N C -0.484 175.003 175.510 -0.037 0.000 1.116 108 N CA 0.054 53.075 53.050 -0.048 0.000 0.730 108 N CB -0.604 37.902 38.487 0.032 0.000 1.040 108 N HN 0.318 nan 8.380 nan 0.000 0.548 109 L N 0.942 122.145 121.223 -0.033 0.000 2.349 109 L HA 0.155 4.494 4.340 -0.002 0.000 0.275 109 L C 0.476 177.381 176.870 0.058 0.000 1.115 109 L CA -0.068 54.778 54.840 0.009 0.000 0.820 109 L CB 0.847 42.919 42.059 0.022 0.000 1.135 109 L HN -0.050 nan 8.230 nan 0.000 0.445 110 T N 3.678 118.269 114.554 0.062 0.000 2.869 110 T HA 0.078 4.427 4.350 -0.002 0.000 0.295 110 T C -0.555 174.240 174.700 0.158 0.000 0.987 110 T CA 0.246 62.401 62.100 0.091 0.000 1.109 110 T CB 0.340 69.236 68.868 0.047 0.000 0.932 110 T HN 0.375 nan 8.240 nan 0.000 0.518 111 Y N 4.223 124.548 120.300 0.042 0.000 2.817 111 Y HA 0.395 4.944 4.550 -0.002 0.000 0.339 111 Y C 0.508 176.452 175.900 0.073 0.000 1.281 111 Y CA -0.832 57.300 58.100 0.053 0.000 1.564 111 Y CB -0.579 37.916 38.460 0.058 0.000 1.628 111 Y HN 0.696 nan 8.280 nan 0.000 0.489 112 S N 0.878 116.526 115.700 -0.086 0.000 2.759 112 S HA 0.911 5.380 4.470 -0.002 0.000 0.310 112 S C -0.388 174.138 174.600 -0.124 0.000 1.123 112 S CA -0.530 57.620 58.200 -0.082 0.000 0.959 112 S CB 1.588 64.795 63.200 0.012 0.000 1.172 112 S HN 0.440 nan 8.310 nan 0.000 0.539 113 S N -0.611 115.057 115.700 -0.053 0.000 2.599 113 S HA 0.817 5.286 4.470 -0.002 0.000 0.287 113 S C -3.414 171.193 174.600 0.012 0.000 1.105 113 S CA -1.620 56.562 58.200 -0.029 0.000 0.899 113 S CB 1.112 64.288 63.200 -0.040 0.000 1.100 113 S HN 0.549 nan 8.310 nan 0.000 0.482 114 P HA 0.530 nan 4.420 nan 0.000 0.284 114 P C -1.256 175.918 177.300 -0.209 0.000 1.253 114 P CA -0.603 62.485 63.100 -0.019 0.000 0.800 114 P CB 0.410 32.099 31.700 -0.019 0.000 0.961 115 L N 3.617 124.647 121.223 -0.321 0.000 2.334 115 L HA 0.367 4.706 4.340 -0.002 0.000 0.277 115 L C -0.494 176.150 176.870 -0.377 0.000 1.075 115 L CA 0.022 54.709 54.840 -0.254 0.000 0.804 115 L CB 0.162 42.137 42.059 -0.140 0.000 1.174 115 L HN 0.315 nan 8.230 nan 0.000 0.438 116 Y N 2.380 122.730 120.300 0.082 0.000 2.349 116 Y HA 0.509 5.058 4.550 -0.002 0.000 0.324 116 Y C -0.562 175.433 175.900 0.159 0.000 1.005 116 Y CA -0.872 57.307 58.100 0.132 0.000 1.240 116 Y CB 1.700 40.256 38.460 0.159 0.000 1.117 116 Y HN 0.152 nan 8.280 nan 0.000 0.463 117 V N 3.349 123.435 119.914 0.286 0.000 2.398 117 V HA 0.270 4.389 4.120 -0.002 0.000 0.286 117 V C -0.401 175.842 176.094 0.249 0.000 1.026 117 V CA -1.135 61.315 62.300 0.249 0.000 0.868 117 V CB 1.469 33.452 31.823 0.266 0.000 0.982 117 V HN 0.540 nan 8.190 nan 0.000 0.443 118 D N 5.705 126.234 120.400 0.214 0.000 2.382 118 D HA 0.202 4.842 4.640 -0.002 0.000 0.259 118 D C 0.032 176.401 176.300 0.115 0.000 1.224 118 D CA 0.306 54.405 54.000 0.166 0.000 0.894 118 D CB 0.634 41.519 40.800 0.142 0.000 1.127 118 D HN 0.222 nan 8.370 nan 0.000 0.487 119 M N 2.058 121.701 119.600 0.072 0.000 2.423 119 M HA 0.364 4.844 4.480 -0.002 0.000 0.335 119 M C 0.364 176.639 176.300 -0.042 0.000 1.177 119 M CA -0.415 54.875 55.300 -0.017 0.000 1.038 119 M CB 1.468 34.051 32.600 -0.028 0.000 1.641 119 M HN 0.031 nan 8.290 nan 0.000 0.455 120 R N 1.777 122.221 120.500 -0.094 0.000 2.393 120 R HA 0.446 4.785 4.340 -0.002 0.000 0.315 120 R C -0.271 175.985 176.300 -0.074 0.000 0.952 120 R CA -0.692 55.367 56.100 -0.067 0.000 0.842 120 R CB 2.211 32.479 30.300 -0.053 0.000 1.163 120 R HN 0.678 nan 8.270 nan 0.000 0.450 144 D N 2.999 123.351 120.400 -0.080 0.000 2.891 144 D HA 0.161 4.800 4.640 -0.002 0.000 0.312 144 D C 0.264 176.538 176.300 -0.045 0.000 1.354 144 D CA -0.069 53.888 54.000 -0.071 0.000 0.838 144 D CB 0.327 41.073 40.800 -0.090 0.000 1.117 144 D HN 0.582 nan 8.370 nan 0.000 0.473 145 E N 0.022 120.202 120.200 -0.033 0.000 4.312 145 E HA -0.293 4.056 4.350 -0.002 0.000 0.192 145 E C -0.006 176.586 176.600 -0.014 0.000 1.286 145 E CA 1.743 58.131 56.400 -0.020 0.000 2.287 145 E CB -0.850 28.839 29.700 -0.018 0.000 1.864 145 E HN 0.417 nan 8.360 nan 0.000 0.348 146 E N 2.217 122.408 120.200 -0.015 0.000 2.390 146 E HA 0.135 4.484 4.350 -0.002 0.000 0.261 146 E C -1.913 174.684 176.600 -0.005 0.000 1.076 146 E CA -1.039 55.357 56.400 -0.005 0.000 0.905 146 E CB 0.589 30.284 29.700 -0.009 0.000 0.984 146 E HN 0.107 nan 8.360 nan 0.000 0.427 147 P HA -0.050 nan 4.420 nan 0.000 0.215 147 P C 0.459 177.767 177.300 0.014 0.000 1.173 147 P CA 0.486 63.599 63.100 0.021 0.000 0.663 147 P CB 0.300 32.035 31.700 0.058 0.000 0.720 148 S N -4.228 111.493 115.700 0.035 0.000 2.184 148 S HA 0.030 4.499 4.470 -0.002 0.000 0.253 148 S C -0.012 174.613 174.600 0.040 0.000 0.950 148 S CA 0.034 58.250 58.200 0.026 0.000 1.541 148 S CB -1.000 62.213 63.200 0.021 0.000 1.172 148 S HN 0.431 nan 8.310 nan 0.000 0.577 149 K N 1.498 121.943 120.400 0.075 0.000 3.540 149 K HA -0.157 4.162 4.320 -0.002 0.000 0.274 149 K C -0.695 175.976 176.600 0.119 0.000 0.890 149 K CA 0.649 56.979 56.287 0.072 0.000 0.701 149 K CB -2.466 29.972 32.500 -0.103 0.000 1.523 149 K HN 0.329 nan 8.250 nan 0.000 0.450 150 V N 2.141 122.181 119.914 0.210 0.000 2.617 150 V HA 0.428 4.547 4.120 -0.002 0.000 0.298 150 V C 0.286 176.644 176.094 0.440 0.000 1.048 150 V CA -0.765 61.700 62.300 0.275 0.000 0.964 150 V CB 1.079 33.004 31.823 0.171 0.000 1.004 150 V HN 0.395 nan 8.190 nan 0.000 0.466 151 F N 5.272 125.420 119.950 0.331 0.000 2.456 151 F HA 0.541 5.067 4.527 -0.002 0.000 0.358 151 F C 0.075 175.887 175.800 0.020 0.000 1.095 151 F CA -0.211 57.852 58.000 0.105 0.000 1.216 151 F CB 0.355 39.400 39.000 0.076 0.000 1.125 151 F HN 0.328 nan 8.300 nan 0.000 0.549 152 I N 7.378 127.400 120.570 -0.914 0.000 2.668 152 I HA 0.358 4.527 4.170 -0.002 0.000 0.276 152 I C 0.475 176.057 176.117 -0.893 0.000 1.139 152 I CA -0.428 60.469 61.300 -0.671 0.000 1.133 152 I CB 0.324 38.214 38.000 -0.184 0.000 1.327 152 I HN 1.022 nan 8.210 nan 0.000 0.520 153 G N 4.695 112.777 108.800 -1.198 0.000 2.907 153 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.242 153 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.242 153 G C -0.600 174.048 174.900 -0.420 0.000 1.448 153 G CA -0.495 44.278 45.100 -0.546 0.000 0.911 153 G HN 0.561 nan 8.290 nan 0.000 0.553 154 K N -0.792 119.580 120.400 -0.048 0.000 2.371 154 K HA 0.657 4.976 4.320 -0.002 0.000 0.251 154 K C -0.384 176.241 176.600 0.042 0.000 0.934 154 K CA -0.773 55.537 56.287 0.038 0.000 0.798 154 K CB 2.217 34.800 32.500 0.138 0.000 1.204 154 K HN 0.411 nan 8.250 nan 0.000 0.427 155 I N 4.096 124.703 120.570 0.061 0.000 2.355 155 I HA 0.259 4.428 4.170 -0.002 0.000 0.288 155 I C -2.344 173.829 176.117 0.094 0.000 0.999 155 I CA -2.591 58.776 61.300 0.111 0.000 1.163 155 I CB 1.978 40.096 38.000 0.196 0.000 1.316 155 I HN 0.235 nan 8.210 nan 0.000 0.454 156 P HA 0.218 nan 4.420 nan 0.000 0.270 156 P C -0.400 177.014 177.300 0.189 0.000 1.242 156 P CA 0.111 63.239 63.100 0.046 0.000 0.768 156 P CB 0.315 31.950 31.700 -0.109 0.000 0.820 157 I N 3.266 123.980 120.570 0.240 0.000 2.612 157 I HA 0.277 4.446 4.170 -0.002 0.000 0.295 157 I C 0.911 177.245 176.117 0.363 0.000 1.011 157 I CA -0.643 60.879 61.300 0.371 0.000 1.326 157 I CB 0.870 38.956 38.000 0.144 0.000 1.427 157 I HN 0.245 nan 8.210 nan 0.000 0.537 158 M N 6.189 125.724 119.600 -0.108 0.000 2.113 158 M HA 0.355 4.834 4.480 -0.002 0.000 0.352 158 M C -0.718 175.370 176.300 -0.353 0.000 1.170 158 M CA -0.696 54.119 55.300 -0.808 0.000 1.053 158 M CB 0.758 32.346 32.600 -1.686 0.000 1.601 158 M HN 0.433 nan 8.290 nan 0.000 0.459 159 L N 5.697 126.655 121.223 -0.440 0.000 2.543 159 L HA -0.010 4.329 4.340 -0.002 0.000 0.285 159 L C 0.561 177.275 176.870 -0.260 0.000 1.236 159 L CA 0.458 55.088 54.840 -0.350 0.000 0.871 159 L CB -0.087 41.563 42.059 -0.682 0.000 1.121 159 L HN 0.795 nan 8.230 nan 0.000 0.501 160 R N 1.073 121.510 120.500 -0.105 0.000 2.994 160 R HA -0.151 4.188 4.340 -0.002 0.000 0.267 160 R C -0.312 175.987 176.300 -0.002 0.000 0.914 160 R CA 0.639 56.713 56.100 -0.044 0.000 0.668 160 R CB -1.289 28.980 30.300 -0.052 0.000 1.524 160 R HN 0.833 nan 8.270 nan 0.000 0.478 161 S N -2.222 113.507 115.700 0.049 0.000 2.851 161 S HA 0.496 4.965 4.470 -0.002 0.000 0.317 161 S C 1.489 176.104 174.600 0.024 0.000 1.144 161 S CA -0.212 58.043 58.200 0.091 0.000 0.862 161 S CB 1.555 64.899 63.200 0.240 0.000 1.259 161 S HN 0.306 nan 8.310 nan 0.000 0.564 162 T N -1.204 113.333 114.554 -0.029 0.000 2.788 162 T HA 0.068 4.417 4.350 -0.002 0.000 0.268 162 T C 0.368 174.844 174.700 -0.372 0.000 1.044 162 T CA 1.097 63.065 62.100 -0.219 0.000 1.139 162 T CB -0.737 67.958 68.868 -0.289 0.000 0.867 162 T HN 0.486 nan 8.240 nan 0.000 0.454 163 F N 1.276 121.234 119.950 0.012 0.000 2.798 163 F HA 0.541 5.067 4.527 -0.002 0.000 0.333 163 F C 0.603 176.434 175.800 0.053 0.000 1.324 163 F CA -1.500 56.511 58.000 0.019 0.000 1.183 163 F CB 0.127 39.125 39.000 -0.004 0.000 1.132 163 F HN 0.285 nan 8.300 nan 0.000 0.521 164 C N 0.109 119.501 119.300 0.152 0.000 2.564 164 C HA 0.523 4.982 4.460 -0.002 0.000 0.381 164 C C 1.861 176.912 174.990 0.101 0.000 1.297 164 C CA -0.539 58.566 59.018 0.146 0.000 1.846 164 C CB 0.579 28.397 27.740 0.129 0.000 2.198 164 C HN 0.616 nan 8.230 nan 0.000 0.507 165 I N 1.856 122.496 120.570 0.117 0.000 3.564 165 I HA 0.015 4.184 4.170 -0.002 0.000 0.294 165 I C 0.811 176.959 176.117 0.051 0.000 1.289 165 I CA 0.814 62.154 61.300 0.066 0.000 1.325 165 I CB -0.261 37.776 38.000 0.062 0.000 1.039 165 I HN 0.590 nan 8.210 nan 0.000 0.474 166 L N -1.341 119.910 121.223 0.046 0.000 3.112 166 L HA 0.269 4.608 4.340 -0.002 0.000 0.166 166 L C 1.544 178.419 176.870 0.008 0.000 1.170 166 L CA -0.081 54.773 54.840 0.024 0.000 0.854 166 L CB -0.926 41.141 42.059 0.014 0.000 1.424 166 L HN 0.089 nan 8.230 nan 0.000 0.542 167 N N 1.150 119.853 118.700 0.005 0.000 1.938 167 N HA -0.273 4.466 4.740 -0.002 0.000 0.149 167 N C 0.765 176.270 175.510 -0.007 0.000 0.379 167 N CA 2.350 55.396 53.050 -0.006 0.000 1.362 167 N CB -1.492 36.979 38.487 -0.027 0.000 1.333 167 N HN 0.473 nan 8.380 nan 0.000 0.412 168 G N 0.165 108.957 108.800 -0.013 0.000 3.343 168 G HA2 0.499 4.458 3.960 -0.002 0.000 0.264 168 G HA3 0.499 4.458 3.960 -0.002 0.000 0.264 168 G C -0.696 174.196 174.900 -0.013 0.000 0.884 168 G CA 0.096 45.189 45.100 -0.010 0.000 1.916 168 G HN 0.396 nan 8.290 nan 0.000 0.618 169 V N 1.394 121.298 119.914 -0.017 0.000 2.448 169 V HA 0.413 4.532 4.120 -0.002 0.000 0.295 169 V C 0.569 176.634 176.094 -0.048 0.000 1.025 169 V CA -1.019 61.266 62.300 -0.025 0.000 0.859 169 V CB 1.538 33.350 31.823 -0.019 0.000 0.988 169 V HN 0.633 nan 8.190 nan 0.000 0.431 170 S N 2.023 117.690 115.700 -0.055 0.000 2.579 170 S HA 0.120 4.589 4.470 -0.002 0.000 0.275 170 S C 0.715 175.249 174.600 -0.110 0.000 1.345 170 S CA -0.390 57.766 58.200 -0.072 0.000 1.031 170 S CB 0.898 64.057 63.200 -0.069 0.000 0.892 170 S HN 0.691 nan 8.310 nan 0.000 0.529 171 D N 2.179 122.499 120.400 -0.133 0.000 2.126 171 D HA -0.176 4.463 4.640 -0.002 0.000 0.190 171 D C 2.254 178.389 176.300 -0.275 0.000 1.001 171 D CA 2.299 56.155 54.000 -0.240 0.000 0.841 171 D CB -0.833 39.852 40.800 -0.192 0.000 0.949 171 D HN 0.790 nan 8.370 nan 0.000 0.446 172 S N -0.200 115.444 115.700 -0.092 0.000 2.462 172 S HA -0.181 4.288 4.470 -0.002 0.000 0.243 172 S C 1.530 176.140 174.600 0.017 0.000 1.003 172 S CA 1.038 59.256 58.200 0.030 0.000 0.970 172 S CB -0.275 62.951 63.200 0.043 0.000 0.762 172 S HN 0.348 nan 8.310 nan 0.000 0.510 173 E N 0.096 120.261 120.200 -0.058 0.000 2.476 173 E HA 0.294 4.643 4.350 -0.002 0.000 0.199 173 E C 1.537 178.102 176.600 -0.059 0.000 1.021 173 E CA -0.082 56.301 56.400 -0.029 0.000 0.907 173 E CB 0.049 29.737 29.700 -0.020 0.000 0.974 173 E HN 0.495 nan 8.360 nan 0.000 0.489 174 L N -0.081 121.037 121.223 -0.176 0.000 2.109 174 L HA -0.112 4.227 4.340 -0.002 0.000 0.207 174 L C 1.935 178.727 176.870 -0.131 0.000 1.086 174 L CA 1.151 55.876 54.840 -0.192 0.000 0.760 174 L CB -0.397 41.476 42.059 -0.310 0.000 0.910 174 L HN 0.211 nan 8.230 nan 0.000 0.437 175 Y N 0.493 120.782 120.300 -0.018 0.000 2.097 175 Y HA -0.318 4.231 4.550 -0.002 0.000 0.282 175 Y C 2.438 178.323 175.900 -0.024 0.000 1.152 175 Y CA 0.992 59.077 58.100 -0.026 0.000 1.136 175 Y CB -0.474 37.965 38.460 -0.034 0.000 0.975 175 Y HN 0.194 nan 8.280 nan 0.000 0.498 176 D N 0.398 120.880 120.400 0.138 0.000 2.191 176 D HA -0.215 4.424 4.640 -0.002 0.000 0.195 176 D C 1.548 177.871 176.300 0.039 0.000 1.003 176 D CA 1.447 55.485 54.000 0.064 0.000 0.867 176 D CB -0.432 40.392 40.800 0.039 0.000 0.926 176 D HN 0.329 nan 8.370 nan 0.000 0.450 177 L N -0.154 121.097 121.223 0.046 0.000 2.611 177 L HA 0.080 4.419 4.340 -0.002 0.000 0.229 177 L C -0.116 176.781 176.870 0.045 0.000 1.137 177 L CA -0.042 54.826 54.840 0.047 0.000 0.901 177 L CB -0.073 42.029 42.059 0.072 0.000 1.098 177 L HN -0.006 nan 8.230 nan 0.000 0.456 178 N N 1.286 120.015 118.700 0.049 0.000 2.756 178 N HA -0.171 4.568 4.740 -0.002 0.000 0.248 178 N C -0.249 175.286 175.510 0.042 0.000 1.062 178 N CA 0.852 53.925 53.050 0.040 0.000 0.696 178 N CB -1.008 37.488 38.487 0.015 0.000 0.946 178 N HN 0.537 nan 8.380 nan 0.000 0.548 179 E N -0.763 119.467 120.200 0.050 0.000 2.396 179 E HA 0.658 5.007 4.350 -0.002 0.000 0.251 179 E C -0.433 176.198 176.600 0.051 0.000 0.949 179 E CA -0.795 55.625 56.400 0.034 0.000 0.834 179 E CB 1.867 31.567 29.700 0.001 0.000 1.309 179 E HN 0.254 nan 8.360 nan 0.000 0.405 180 C N 1.645 120.975 119.300 0.049 0.000 2.478 180 C HA 0.357 4.817 4.460 -0.002 0.000 0.334 180 C C -2.038 172.972 174.990 0.034 0.000 1.106 180 C CA -1.926 57.149 59.018 0.095 0.000 1.363 180 C CB 0.125 27.966 27.740 0.168 0.000 1.941 180 C HN 0.501 nan 8.230 nan 0.000 0.436 181 P HA -0.145 nan 4.420 nan 0.000 0.224 181 P C 0.172 177.299 177.300 -0.288 0.000 1.138 181 P CA 1.701 64.612 63.100 -0.315 0.000 0.780 181 P CB -0.146 31.245 31.700 -0.516 0.000 0.755 182 Y N -1.732 118.601 120.300 0.055 0.000 2.503 182 Y HA 0.093 4.642 4.550 -0.001 0.000 0.277 182 Y C 0.993 177.056 175.900 0.271 0.000 1.102 182 Y CA -0.407 57.779 58.100 0.143 0.000 1.261 182 Y CB -0.593 37.887 38.460 0.034 0.000 1.096 182 Y HN -0.175 nan 8.280 nan 0.000 0.546 183 D N 1.205 121.812 120.400 0.345 0.000 2.571 183 D HA -0.072 4.567 4.640 -0.002 0.000 0.231 183 D C 0.409 176.844 176.300 0.226 0.000 1.133 183 D CA 0.831 55.001 54.000 0.284 0.000 0.862 183 D CB 0.486 41.428 40.800 0.236 0.000 1.179 183 D HN 0.358 nan 8.370 nan 0.000 0.474 184 Q N 1.064 120.993 119.800 0.215 0.000 2.135 184 Q HA 0.305 4.644 4.340 -0.002 0.000 0.231 184 Q C 0.950 177.022 176.000 0.119 0.000 0.817 184 Q CA -0.150 55.745 55.803 0.153 0.000 1.073 184 Q CB 0.969 29.796 28.738 0.148 0.000 1.176 184 Q HN 0.728 nan 8.270 nan 0.000 0.478 185 G N 0.661 109.552 108.800 0.151 0.000 2.601 185 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.261 185 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.261 185 G C 0.595 175.533 174.900 0.064 0.000 1.289 185 G CA 0.094 45.160 45.100 -0.056 0.000 0.920 185 G HN 0.767 nan 8.290 nan 0.000 0.571 186 G N -3.469 105.237 108.800 -0.157 0.000 2.253 186 G HA2 0.228 4.187 3.960 -0.002 0.000 0.209 186 G HA3 0.228 4.187 3.960 -0.002 0.000 0.209 186 G C 0.323 175.131 174.900 -0.152 0.000 0.997 186 G CA 1.129 46.185 45.100 -0.074 0.000 0.640 186 G HN 2.361 nan 8.290 nan 0.000 0.496 187 Y N -0.868 119.233 120.300 -0.331 0.000 2.598 187 Y HA 0.846 5.395 4.550 -0.001 0.000 0.340 187 Y C -0.373 175.209 175.900 -0.529 0.000 1.038 187 Y CA -2.366 55.539 58.100 -0.324 0.000 1.100 187 Y CB 1.020 39.402 38.460 -0.130 0.000 1.281 187 Y HN -0.024 nan 8.280 nan 0.000 0.488 188 F N 1.720 121.689 119.950 0.031 0.000 2.492 188 F HA 0.464 4.990 4.527 -0.002 0.000 0.327 188 F C 0.374 176.214 175.800 0.068 0.000 1.079 188 F CA -1.266 56.720 58.000 -0.025 0.000 0.967 188 F CB 2.099 41.070 39.000 -0.048 0.000 1.169 188 F HN 0.607 nan 8.300 nan 0.000 0.472 189 I N 3.344 124.060 120.570 0.243 0.000 2.802 189 I HA 0.395 4.564 4.170 -0.002 0.000 0.307 189 I C -0.503 175.699 176.117 0.142 0.000 1.232 189 I CA -0.441 60.952 61.300 0.154 0.000 1.060 189 I CB -0.255 37.777 38.000 0.053 0.000 1.866 189 I HN 0.479 nan 8.210 nan 0.000 0.568 190 I N 0.528 121.171 120.570 0.121 0.000 2.496 190 I HA 0.391 4.560 4.170 -0.002 0.000 0.285 190 I C 0.393 176.504 176.117 -0.009 0.000 1.080 190 I CA 0.021 61.346 61.300 0.043 0.000 1.404 190 I CB 0.544 38.530 38.000 -0.023 0.000 1.403 190 I HN 0.453 nan 8.210 nan 0.000 0.539 191 N N 4.250 122.936 118.700 -0.023 0.000 2.778 191 N HA -0.211 4.529 4.740 -0.002 0.000 0.249 191 N C 0.866 176.379 175.510 0.005 0.000 1.069 191 N CA 1.613 54.640 53.050 -0.038 0.000 0.831 191 N CB -1.233 37.181 38.487 -0.122 0.000 1.142 191 N HN 1.333 nan 8.380 nan 0.000 0.573 192 G N -2.193 106.621 108.800 0.024 0.000 2.195 192 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.224 192 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.224 192 G C -0.115 174.805 174.900 0.033 0.000 0.990 192 G CA 0.775 45.896 45.100 0.034 0.000 0.639 192 G HN 1.419 nan 8.290 nan 0.000 0.514 193 S N 0.386 116.101 115.700 0.025 0.000 2.526 193 S HA 0.682 5.151 4.470 -0.002 0.000 0.293 193 S C -0.201 174.419 174.600 0.033 0.000 1.092 193 S CA -0.620 57.587 58.200 0.012 0.000 0.980 193 S CB 2.219 65.414 63.200 -0.008 0.000 1.048 193 S HN 0.343 nan 8.310 nan 0.000 0.483 194 E N 2.592 122.803 120.200 0.017 0.000 2.502 194 E HA 0.138 4.487 4.350 -0.002 0.000 0.261 194 E C -0.263 176.378 176.600 0.068 0.000 0.974 194 E CA 0.282 56.714 56.400 0.055 0.000 0.936 194 E CB 0.257 29.895 29.700 -0.104 0.000 0.926 194 E HN 0.492 nan 8.360 nan 0.000 0.459 195 K N 1.079 121.575 120.400 0.160 0.000 2.435 195 K HA 0.561 4.880 4.320 -0.002 0.000 0.251 195 K C -0.923 175.812 176.600 0.225 0.000 0.954 195 K CA -1.040 55.339 56.287 0.153 0.000 0.820 195 K CB 2.519 35.096 32.500 0.127 0.000 1.292 195 K HN 0.205 nan 8.250 nan 0.000 0.436 196 V N 3.256 123.288 119.914 0.196 0.000 2.525 196 V HA 0.370 4.490 4.120 -0.002 0.000 0.299 196 V C 0.082 176.267 176.094 0.152 0.000 1.034 196 V CA -0.863 61.548 62.300 0.184 0.000 0.863 196 V CB 1.655 33.588 31.823 0.184 0.000 0.999 196 V HN 0.622 nan 8.190 nan 0.000 0.423 197 I N 5.314 125.993 120.570 0.182 0.000 2.836 197 I HA 0.266 4.435 4.170 -0.002 0.000 0.285 197 I C -0.167 176.001 176.117 0.084 0.000 1.174 197 I CA 0.325 61.724 61.300 0.164 0.000 1.405 197 I CB 0.564 38.696 38.000 0.220 0.000 1.385 197 I HN 0.388 nan 8.210 nan 0.000 0.594 198 I N 3.418 124.036 120.570 0.079 0.000 2.608 198 I HA 0.409 4.578 4.170 -0.002 0.000 0.295 198 I C 0.567 176.714 176.117 0.051 0.000 1.049 198 I CA -0.719 60.594 61.300 0.022 0.000 1.063 198 I CB 1.906 39.894 38.000 -0.020 0.000 1.248 198 I HN 0.716 nan 8.210 nan 0.000 0.424 199 A N 5.818 128.654 122.820 0.027 0.000 2.264 199 A HA 0.297 4.616 4.320 -0.002 0.000 0.291 199 A C -0.098 177.510 177.584 0.040 0.000 1.253 199 A CA 0.497 52.552 52.037 0.030 0.000 0.865 199 A CB 0.285 19.294 19.000 0.015 0.000 1.129 199 A HN 0.767 nan 8.150 nan 0.000 0.513 200 Q N -1.522 118.294 119.800 0.026 0.000 2.666 200 Q HA 0.310 4.649 4.340 -0.002 0.000 0.276 200 Q C -2.018 173.987 176.000 0.008 0.000 0.952 200 Q CA -0.370 55.450 55.803 0.029 0.000 0.850 200 Q CB 1.614 30.374 28.738 0.037 0.000 1.512 200 Q HN 0.809 nan 8.270 nan 0.000 0.395 201 E N 1.171 121.380 120.200 0.014 0.000 2.518 201 E HA 0.414 4.763 4.350 -0.002 0.000 0.240 201 E C -0.044 176.555 176.600 -0.003 0.000 0.996 201 E CA -0.417 55.983 56.400 -0.000 0.000 0.768 201 E CB 2.159 31.876 29.700 0.028 0.000 1.329 201 E HN 0.369 nan 8.360 nan 0.000 0.408 202 R N 1.939 122.425 120.500 -0.023 0.000 1.852 202 R HA 0.217 4.556 4.340 -0.002 0.000 0.161 202 R C 1.081 177.354 176.300 -0.045 0.000 1.756 202 R CA 1.391 57.475 56.100 -0.027 0.000 1.480 202 R CB -0.262 30.019 30.300 -0.031 0.000 0.995 202 R HN 0.493 nan 8.270 nan 0.000 0.490 203 S N -1.569 114.094 115.700 -0.061 0.000 3.006 203 S HA 0.672 5.141 4.470 -0.002 0.000 0.225 203 S C 0.820 175.366 174.600 -0.091 0.000 1.097 203 S CA -0.192 57.961 58.200 -0.079 0.000 1.260 203 S CB 0.682 63.834 63.200 -0.080 0.000 1.085 203 S HN 0.502 nan 8.310 nan 0.000 0.568 204 A N -0.522 122.237 122.820 -0.101 0.000 1.704 204 A HA 0.817 5.136 4.320 -0.002 0.000 0.211 204 A C 0.724 178.242 177.584 -0.110 0.000 1.792 204 A CA 0.959 52.920 52.037 -0.128 0.000 1.264 204 A CB -0.621 18.286 19.000 -0.155 0.000 1.235 204 A HN 2.445 nan 8.150 nan 0.000 0.440 205 A N -1.203 121.567 122.820 -0.083 0.000 2.638 205 A HA 0.224 4.543 4.320 -0.002 0.000 0.678 205 A C 0.296 177.859 177.584 -0.036 0.000 0.294 205 A CA 0.259 52.258 52.037 -0.063 0.000 0.107 205 A CB -1.731 17.228 19.000 -0.068 0.000 3.927 205 A HN 1.676 nan 8.150 nan 0.000 0.544 206 N N -2.439 116.230 118.700 -0.052 0.000 2.678 206 N HA -0.242 4.497 4.740 -0.002 0.000 0.249 206 N C -0.128 175.469 175.510 0.144 0.000 1.119 206 N CA 2.152 55.209 53.050 0.012 0.000 0.718 206 N CB -1.952 36.596 38.487 0.101 0.000 1.060 206 N HN 1.896 nan 8.380 nan 0.000 0.552 207 I N -4.865 115.765 120.570 0.099 0.000 2.460 207 I HA 0.570 4.739 4.170 -0.002 0.000 0.298 207 I C 1.209 177.427 176.117 0.169 0.000 0.989 207 I CA -1.254 60.117 61.300 0.119 0.000 1.173 207 I CB 2.010 40.034 38.000 0.040 0.000 1.338 207 I HN -0.133 nan 8.210 nan 0.000 0.456 208 V N 2.650 122.694 119.914 0.218 0.000 5.497 208 V HA -0.224 3.895 4.120 -0.002 0.000 0.307 208 V C 0.062 176.205 176.094 0.082 0.000 0.438 208 V CA 1.394 63.799 62.300 0.176 0.000 0.707 208 V CB -2.394 29.529 31.823 0.166 0.000 0.502 208 V HN 1.041 nan 8.190 nan 0.000 1.344 209 Q N -0.998 118.851 119.800 0.080 0.000 2.295 209 Q HA 0.531 4.870 4.340 -0.002 0.000 0.259 209 Q C 0.513 176.579 176.000 0.110 0.000 0.966 209 Q CA -0.265 55.581 55.803 0.071 0.000 0.763 209 Q CB 2.245 31.007 28.738 0.040 0.000 1.283 209 Q HN 0.144 nan 8.270 nan 0.000 0.445 210 V N 3.810 123.789 119.914 0.109 0.000 2.232 210 V HA -0.159 3.960 4.120 -0.002 0.000 0.241 210 V C 0.851 177.075 176.094 0.216 0.000 1.036 210 V CA 2.019 64.394 62.300 0.125 0.000 0.993 210 V CB -0.713 31.162 31.823 0.087 0.000 0.639 210 V HN 0.963 nan 8.190 nan 0.000 0.459 211 F N 0.910 120.860 119.950 -0.000 0.000 2.146 211 F HA -0.236 4.290 4.527 -0.002 0.000 0.375 211 F C 0.524 176.303 175.800 -0.036 0.000 1.135 211 F CA 0.787 58.779 58.000 -0.014 0.000 1.259 211 F CB -0.107 38.895 39.000 0.002 0.000 1.902 211 F HN 0.451 nan 8.300 nan 0.000 0.753 212 K N 4.617 124.779 120.400 -0.396 0.000 2.580 212 K HA 0.887 5.206 4.320 -0.002 0.000 0.287 212 K C -0.594 175.705 176.600 -0.503 0.000 1.005 212 K CA -0.657 55.388 56.287 -0.402 0.000 1.200 212 K CB 1.662 33.866 32.500 -0.494 0.000 1.568 212 K HN 0.571 nan 8.250 nan 0.000 0.685 213 K N -2.124 118.045 120.400 -0.384 0.000 3.073 213 K HA 0.556 4.875 4.320 -0.002 0.000 0.300 213 K C -2.300 174.176 176.600 -0.207 0.000 1.082 213 K CA -0.340 55.773 56.287 -0.290 0.000 0.803 213 K CB 1.944 34.313 32.500 -0.217 0.000 1.488 213 K HN 0.929 nan 8.250 nan 0.000 0.372 214 A N -0.232 122.505 122.820 -0.139 0.000 2.613 214 A HA 0.553 4.872 4.320 -0.002 0.000 0.303 214 A C -1.952 175.592 177.584 -0.068 0.000 0.915 214 A CA -0.067 51.914 52.037 -0.093 0.000 0.654 214 A CB 0.274 19.211 19.000 -0.104 0.000 1.280 214 A HN 0.993 nan 8.150 nan 0.000 0.407 215 A N 2.211 125.006 122.820 -0.042 0.000 3.292 215 A HA 0.695 5.014 4.320 -0.002 0.000 0.231 215 A C -1.382 176.193 177.584 -0.015 0.000 0.952 215 A CA -0.439 51.580 52.037 -0.030 0.000 1.044 215 A CB -0.155 18.830 19.000 -0.025 0.000 1.236 215 A HN 0.492 nan 8.150 nan 0.000 0.525 216 P HA -0.256 nan 4.420 nan 0.000 0.230 216 P C 0.693 177.993 177.300 0.000 0.000 1.124 216 P CA 2.571 65.668 63.100 -0.004 0.000 0.985 216 P CB 0.051 31.751 31.700 0.000 0.000 0.774 217 S N -5.052 110.650 115.700 0.003 0.000 2.588 217 S HA 0.627 5.096 4.470 -0.002 0.000 0.275 217 S C -2.321 172.286 174.600 0.011 0.000 1.130 217 S CA -1.048 57.153 58.200 0.003 0.000 0.855 217 S CB 2.194 65.393 63.200 -0.002 0.000 1.116 217 S HN 0.001 nan 8.310 nan 0.000 0.472 218 P HA 0.475 nan 4.420 nan 0.000 0.197 218 P C 0.129 177.448 177.300 0.032 0.000 1.031 218 P CA 0.041 63.155 63.100 0.023 0.000 0.994 218 P CB 0.179 31.894 31.700 0.024 0.000 0.776 219 I N -0.128 120.463 120.570 0.034 0.000 4.019 219 I HA 0.581 4.750 4.170 -0.002 0.000 0.257 219 I C 0.072 176.225 176.117 0.060 0.000 1.421 219 I CA -0.852 60.479 61.300 0.051 0.000 0.967 219 I CB 0.587 38.620 38.000 0.056 0.000 1.591 219 I HN -0.012 nan 8.210 nan 0.000 0.671 220 A N 1.512 124.394 122.820 0.105 0.000 2.392 220 A HA 0.577 4.896 4.320 -0.002 0.000 0.289 220 A C -1.556 176.276 177.584 0.412 0.000 1.309 220 A CA -0.196 51.941 52.037 0.167 0.000 0.920 220 A CB -0.539 18.603 19.000 0.237 0.000 1.395 220 A HN 0.638 nan 8.150 nan 0.000 0.511 221 Y N -1.179 119.114 120.300 -0.011 0.000 2.861 221 Y HA -0.090 4.459 4.550 -0.002 0.000 0.025 221 Y C -0.161 175.753 175.900 0.025 0.000 2.275 221 Y CA -0.153 57.945 58.100 -0.002 0.000 1.193 221 Y CB -1.157 37.303 38.460 -0.000 0.000 1.900 221 Y HN 0.695 nan 8.280 nan 0.000 0.276 222 V N 1.463 121.453 119.914 0.127 0.000 2.994 222 V HA 0.930 5.049 4.120 -0.002 0.000 0.318 222 V C 0.193 176.383 176.094 0.161 0.000 1.085 222 V CA -0.386 62.001 62.300 0.145 0.000 0.998 222 V CB 2.078 33.997 31.823 0.159 0.000 1.063 222 V HN 0.906 nan 8.190 nan 0.000 0.447 223 A N 1.458 124.367 122.820 0.148 0.000 3.266 223 A HA 0.473 4.792 4.320 -0.002 0.000 0.310 223 A C -0.206 177.454 177.584 0.126 0.000 1.066 223 A CA -0.369 51.750 52.037 0.136 0.000 0.839 223 A CB 0.031 19.104 19.000 0.121 0.000 1.192 223 A HN 0.830 nan 8.150 nan 0.000 0.496 224 E N 0.642 120.914 120.200 0.121 0.000 2.398 224 E HA 0.426 4.775 4.350 -0.002 0.000 0.263 224 E C 0.211 176.854 176.600 0.071 0.000 1.046 224 E CA -0.013 56.432 56.400 0.076 0.000 0.908 224 E CB 0.532 30.242 29.700 0.017 0.000 0.963 224 E HN 0.604 nan 8.360 nan 0.000 0.431 225 I N 2.491 123.102 120.570 0.068 0.000 4.399 225 I HA -0.043 4.126 4.170 -0.002 0.000 0.301 225 I C 0.698 176.839 176.117 0.041 0.000 1.198 225 I CA -0.176 61.173 61.300 0.081 0.000 1.315 225 I CB 0.176 38.259 38.000 0.138 0.000 1.452 225 I HN 0.635 nan 8.210 nan 0.000 0.457 226 R N 2.645 123.166 120.500 0.035 0.000 3.538 226 R HA -0.190 4.149 4.340 -0.002 0.000 0.252 226 R C -0.254 176.045 176.300 -0.003 0.000 1.050 226 R CA 0.867 56.975 56.100 0.013 0.000 0.699 226 R CB -2.893 27.400 30.300 -0.012 0.000 1.066 226 R HN 0.497 nan 8.270 nan 0.000 0.477 227 S N -0.643 115.057 115.700 0.001 0.000 2.646 227 S HA 0.865 5.334 4.470 -0.002 0.000 0.276 227 S C 0.126 174.727 174.600 0.003 0.000 1.222 227 S CA -0.190 57.971 58.200 -0.066 0.000 1.014 227 S CB 2.394 65.438 63.200 -0.261 0.000 0.991 227 S HN 1.255 nan 8.310 nan 0.000 0.533 228 A N 1.753 124.565 122.820 -0.013 0.000 2.590 228 A HA 0.427 4.746 4.320 -0.002 0.000 0.309 228 A C -0.399 177.199 177.584 0.024 0.000 1.039 228 A CA -0.991 51.073 52.037 0.045 0.000 0.824 228 A CB -0.131 18.891 19.000 0.036 0.000 1.247 228 A HN 1.821 nan 8.150 nan 0.000 0.394 229 L N 0.601 121.852 121.223 0.046 0.000 2.615 229 L HA 0.376 4.715 4.340 -0.002 0.000 0.284 229 L C 0.709 177.581 176.870 0.003 0.000 1.237 229 L CA 1.453 56.308 54.840 0.026 0.000 0.905 229 L CB 0.223 42.297 42.059 0.025 0.000 1.149 229 L HN 1.272 nan 8.230 nan 0.000 0.499 230 E N 0.965 121.161 120.200 -0.006 0.000 4.287 230 E HA -0.271 4.079 4.350 -0.002 0.000 0.324 230 E C 1.449 178.048 176.600 -0.003 0.000 0.615 230 E CA 1.273 57.672 56.400 -0.001 0.000 1.912 230 E CB -0.841 28.868 29.700 0.014 0.000 1.832 230 E HN 0.950 nan 8.360 nan 0.000 0.494 231 R N 0.574 121.070 120.500 -0.007 0.000 2.235 231 R HA 0.147 4.486 4.340 -0.002 0.000 0.213 231 R C 1.347 177.628 176.300 -0.032 0.000 1.059 231 R CA 1.418 57.509 56.100 -0.015 0.000 0.997 231 R CB 0.361 30.652 30.300 -0.015 0.000 0.884 231 R HN 0.423 nan 8.270 nan 0.000 0.462 232 G N -0.455 108.322 108.800 -0.037 0.000 2.500 232 G HA2 0.018 3.977 3.960 -0.002 0.000 0.227 232 G HA3 0.018 3.977 3.960 -0.002 0.000 0.227 232 G C -0.013 174.849 174.900 -0.062 0.000 1.157 232 G CA -0.087 44.977 45.100 -0.059 0.000 0.945 232 G HN 0.561 nan 8.290 nan 0.000 0.518 233 S N -1.623 114.052 115.700 -0.042 0.000 7.401 233 S HA 0.032 4.501 4.470 -0.002 0.000 0.039 233 S C 0.555 175.137 174.600 -0.029 0.000 1.540 233 S CA 0.582 58.761 58.200 -0.035 0.000 0.929 233 S CB -0.337 62.843 63.200 -0.034 0.000 0.793 233 S HN 1.115 nan 8.310 nan 0.000 0.539 234 R N 1.845 122.332 120.500 -0.022 0.000 2.595 234 R HA 0.230 4.569 4.340 -0.002 0.000 0.269 234 R C 0.292 176.580 176.300 -0.020 0.000 0.977 234 R CA 1.468 57.557 56.100 -0.019 0.000 1.093 234 R CB -0.093 30.200 30.300 -0.011 0.000 0.904 234 R HN 0.828 nan 8.270 nan 0.000 0.425 235 L N 3.882 125.093 121.223 -0.020 0.000 4.452 235 L HA 0.124 4.463 4.340 -0.002 0.000 0.451 235 L C -1.216 175.643 176.870 -0.019 0.000 1.096 235 L CA -0.376 54.452 54.840 -0.019 0.000 1.619 235 L CB 0.425 42.466 42.059 -0.031 0.000 1.512 235 L HN 0.454 nan 8.230 nan 0.000 0.580 236 I N 2.029 122.587 120.570 -0.019 0.000 2.352 236 I HA 0.500 4.669 4.170 -0.002 0.000 0.290 236 I C 0.625 176.740 176.117 -0.004 0.000 1.036 236 I CA 0.414 61.702 61.300 -0.021 0.000 1.336 236 I CB 0.557 38.534 38.000 -0.039 0.000 1.407 236 I HN 0.402 nan 8.210 nan 0.000 0.497 237 S N 4.094 119.797 115.700 0.006 0.000 2.716 237 S HA 0.364 4.833 4.470 -0.002 0.000 0.277 237 S C -0.631 173.989 174.600 0.033 0.000 0.874 237 S CA -0.343 57.876 58.200 0.031 0.000 1.049 237 S CB 0.528 63.754 63.200 0.042 0.000 1.319 237 S HN 0.936 nan 8.310 nan 0.000 0.457 238 S N 1.112 116.841 115.700 0.049 0.000 3.121 238 S HA 0.906 5.375 4.470 -0.002 0.000 0.324 238 S C -0.196 174.438 174.600 0.056 0.000 1.192 238 S CA -0.375 57.852 58.200 0.045 0.000 0.937 238 S CB 1.224 64.448 63.200 0.040 0.000 1.336 238 S HN 1.020 nan 8.310 nan 0.000 0.664 239 M N -0.599 119.035 119.600 0.057 0.000 1.561 239 M HA 0.367 4.846 4.480 -0.002 0.000 0.298 239 M C -1.325 175.013 176.300 0.063 0.000 2.184 239 M CA 0.348 55.686 55.300 0.063 0.000 0.702 239 M CB -1.298 31.352 32.600 0.084 0.000 2.358 239 M HN 0.917 nan 8.290 nan 0.000 0.645 240 Q N 1.348 121.193 119.800 0.075 0.000 3.239 240 Q HA -0.094 4.245 4.340 -0.002 0.000 0.025 240 Q C -0.832 175.216 176.000 0.080 0.000 1.712 240 Q CA 1.031 56.884 55.803 0.083 0.000 0.239 240 Q CB -0.757 28.027 28.738 0.077 0.000 0.585 240 Q HN 0.666 nan 8.270 nan 0.000 0.322 241 I N -2.452 118.173 120.570 0.091 0.000 2.841 241 I HA 0.609 4.778 4.170 -0.002 0.000 0.298 241 I C -0.893 175.280 176.117 0.093 0.000 1.304 241 I CA -1.192 60.158 61.300 0.084 0.000 1.019 241 I CB 2.081 40.132 38.000 0.083 0.000 1.282 241 I HN 0.561 nan 8.210 nan 0.000 0.432 242 K N 3.127 123.578 120.400 0.084 0.000 2.842 242 K HA 0.637 4.956 4.320 -0.002 0.000 0.310 242 K C -0.173 176.484 176.600 0.094 0.000 0.992 242 K CA -0.283 56.057 56.287 0.089 0.000 1.207 242 K CB 0.874 33.419 32.500 0.074 0.000 1.478 242 K HN 0.707 nan 8.250 nan 0.000 0.601 243 L N -1.206 120.070 121.223 0.089 0.000 1.381 243 L HA 0.070 4.409 4.340 -0.002 0.000 0.129 243 L C -1.455 175.450 176.870 0.058 0.000 1.359 243 L CA -0.257 54.626 54.840 0.072 0.000 1.203 243 L CB 0.514 42.633 42.059 0.100 0.000 2.498 243 L HN 0.690 nan 8.230 nan 0.000 0.478 244 M N 0.297 119.946 119.600 0.082 0.000 5.632 244 M HA -0.149 4.330 4.480 -0.002 0.000 0.157 244 M C -0.166 176.165 176.300 0.051 0.000 1.214 244 M CA 1.363 56.702 55.300 0.065 0.000 1.190 244 M CB -2.239 30.389 32.600 0.046 0.000 1.066 244 M HN 0.570 nan 8.290 nan 0.000 0.190 245 A N 1.179 124.029 122.820 0.051 0.000 2.556 245 A HA 0.407 4.726 4.320 -0.002 0.000 0.208 245 A C 0.109 177.713 177.584 0.033 0.000 1.156 245 A CA 0.251 52.309 52.037 0.036 0.000 1.290 245 A CB 0.361 19.387 19.000 0.043 0.000 1.169 245 A HN 1.044 nan 8.150 nan 0.000 0.468 246 R N 0.209 120.727 120.500 0.031 0.000 2.751 246 R HA 0.427 4.766 4.340 -0.002 0.000 0.217 246 R C -0.647 175.663 176.300 0.016 0.000 1.436 246 R CA 0.021 56.136 56.100 0.024 0.000 1.006 246 R CB 0.074 30.388 30.300 0.024 0.000 2.065 246 R HN 0.077 nan 8.270 nan 0.000 0.525 247 N N 0.690 119.398 118.700 0.014 0.000 2.607 247 N HA -0.164 4.575 4.740 -0.002 0.000 0.285 247 N C 0.194 175.708 175.510 0.007 0.000 1.151 247 N CA 1.223 54.279 53.050 0.010 0.000 0.749 247 N CB -0.935 37.558 38.487 0.010 0.000 0.923 247 N HN 0.759 nan 8.380 nan 0.000 0.552 248 T N -0.782 113.775 114.554 0.006 0.000 3.093 248 T HA -0.132 4.217 4.350 -0.002 0.000 0.270 248 T C 1.160 175.860 174.700 0.000 0.000 1.170 248 T CA 1.629 63.730 62.100 0.003 0.000 1.072 248 T CB 0.086 68.955 68.868 0.002 0.000 0.863 248 T HN 0.516 nan 8.240 nan 0.000 0.562 249 E N 0.056 120.256 120.200 0.001 0.000 2.431 249 E HA 0.178 4.527 4.350 -0.002 0.000 0.200 249 E C 0.167 176.765 176.600 -0.002 0.000 0.995 249 E CA -0.147 56.253 56.400 -0.001 0.000 0.915 249 E CB 0.434 30.134 29.700 0.000 0.000 0.930 249 E HN 0.266 nan 8.360 nan 0.000 0.496 250 N N -0.171 118.529 118.700 0.000 0.000 2.629 250 N HA 0.063 4.802 4.740 -0.002 0.000 0.277 250 N C -0.595 174.917 175.510 0.003 0.000 1.188 250 N CA 0.034 53.085 53.050 0.000 0.000 0.835 250 N CB 1.119 39.608 38.487 0.002 0.000 1.420 250 N HN -0.032 nan 8.380 nan 0.000 0.542 251 S N 1.319 117.019 115.700 -0.000 0.000 3.984 251 S HA 0.365 4.834 4.470 -0.002 0.000 0.221 251 S C 1.009 175.603 174.600 -0.009 0.000 1.149 251 S CA 0.410 58.606 58.200 -0.007 0.000 0.950 251 S CB 0.333 63.527 63.200 -0.010 0.000 1.216 251 S HN 0.461 nan 8.310 nan 0.000 0.547 252 G N 0.287 109.081 108.800 -0.009 0.000 4.530 252 G HA2 0.502 4.461 3.960 -0.002 0.000 0.284 252 G HA3 0.502 4.461 3.960 -0.002 0.000 0.284 252 G C -0.824 174.070 174.900 -0.011 0.000 1.008 252 G CA -0.367 44.727 45.100 -0.012 0.000 0.770 252 G HN 0.309 nan 8.290 nan 0.000 0.424 253 Q N 0.704 120.499 119.800 -0.007 0.000 2.382 253 Q HA -0.128 4.211 4.340 -0.002 0.000 0.345 253 Q C 0.165 176.159 176.000 -0.009 0.000 1.350 253 Q CA 1.040 56.837 55.803 -0.010 0.000 0.892 253 Q CB -2.026 26.697 28.738 -0.024 0.000 1.058 253 Q HN 0.736 nan 8.270 nan 0.000 0.318 254 T N -0.822 113.733 114.554 0.002 0.000 2.856 254 T HA 0.840 5.190 4.350 -0.002 0.000 0.283 254 T C 0.279 174.991 174.700 0.019 0.000 1.008 254 T CA -0.854 61.251 62.100 0.009 0.000 0.997 254 T CB 1.571 70.446 68.868 0.011 0.000 0.992 254 T HN 0.663 nan 8.240 nan 0.000 0.454 255 I N 0.511 121.096 120.570 0.025 0.000 2.525 255 I HA 0.780 4.949 4.170 -0.002 0.000 0.301 255 I C -0.383 175.765 176.117 0.050 0.000 0.992 255 I CA -1.180 60.143 61.300 0.039 0.000 1.162 255 I CB 1.703 39.726 38.000 0.039 0.000 1.332 255 I HN 0.702 nan 8.210 nan 0.000 0.458 256 R N 4.268 124.802 120.500 0.057 0.000 3.212 256 R HA 0.967 5.306 4.340 -0.002 0.000 0.240 256 R C -1.120 175.216 176.300 0.061 0.000 1.470 256 R CA -0.964 55.171 56.100 0.059 0.000 1.041 256 R CB 1.558 31.892 30.300 0.058 0.000 1.494 256 R HN 0.860 nan 8.270 nan 0.000 0.502 257 A N -0.628 122.226 122.820 0.057 0.000 2.581 257 A HA 0.566 4.885 4.320 -0.002 0.000 0.290 257 A C -0.596 177.015 177.584 0.044 0.000 1.119 257 A CA -0.494 51.572 52.037 0.049 0.000 0.670 257 A CB 1.560 20.578 19.000 0.030 0.000 1.280 257 A HN 0.545 nan 8.150 nan 0.000 0.425 258 T N -0.301 114.273 114.554 0.033 0.000 3.174 258 T HA 0.345 4.694 4.350 -0.002 0.000 0.252 258 T C -0.201 174.496 174.700 -0.005 0.000 0.984 258 T CA 0.730 62.843 62.100 0.022 0.000 1.113 258 T CB -0.478 68.409 68.868 0.032 0.000 1.088 258 T HN 1.209 nan 8.240 nan 0.000 0.442 259 L N 1.681 122.902 121.223 -0.003 0.000 3.634 259 L HA -0.098 4.241 4.340 -0.002 0.000 0.647 259 L C -2.649 174.192 176.870 -0.048 0.000 1.199 259 L CA -0.885 53.937 54.840 -0.029 0.000 1.027 259 L CB -1.640 40.384 42.059 -0.057 0.000 1.511 259 L HN 0.207 nan 8.230 nan 0.000 0.855 260 P HA -0.080 nan 4.420 nan 0.000 0.269 260 P C 0.348 177.645 177.300 -0.006 0.000 1.205 260 P CA 0.405 63.526 63.100 0.035 0.000 0.780 260 P CB 0.245 32.002 31.700 0.094 0.000 0.858 261 Y N 1.118 121.388 120.300 -0.050 0.000 2.524 261 Y HA 0.439 4.988 4.550 -0.002 0.000 0.266 261 Y C 0.407 176.292 175.900 -0.024 0.000 1.180 261 Y CA -0.695 57.390 58.100 -0.025 0.000 1.244 261 Y CB -0.154 38.298 38.460 -0.013 0.000 1.125 261 Y HN 0.033 nan 8.280 nan 0.000 0.524 262 I N -1.326 119.041 120.570 -0.338 0.000 2.722 262 I HA 0.635 4.804 4.170 -0.002 0.000 0.292 262 I C -0.672 175.317 176.117 -0.214 0.000 1.267 262 I CA -1.108 60.035 61.300 -0.262 0.000 1.036 262 I CB 2.514 40.296 38.000 -0.362 0.000 1.281 262 I HN 0.129 nan 8.210 nan 0.000 0.423 263 R N 3.437 123.851 120.500 -0.144 0.000 3.059 263 R HA 0.428 4.767 4.340 -0.002 0.000 0.161 263 R C 0.472 176.745 176.300 -0.044 0.000 0.758 263 R CA 1.389 57.435 56.100 -0.090 0.000 1.064 263 R CB 0.077 30.321 30.300 -0.094 0.000 1.538 263 R HN 0.770 nan 8.270 nan 0.000 0.574 264 S N -0.123 115.549 115.700 -0.046 0.000 3.884 264 S HA 0.428 4.897 4.470 -0.002 0.000 0.212 264 S C -1.093 173.526 174.600 0.031 0.000 1.037 264 S CA -0.484 57.718 58.200 0.003 0.000 1.611 264 S CB 0.266 63.477 63.200 0.018 0.000 0.898 264 S HN 0.198 nan 8.310 nan 0.000 0.672 265 D N 0.830 121.273 120.400 0.072 0.000 2.192 265 D HA 0.583 5.222 4.640 -0.002 0.000 0.246 265 D C -0.971 175.422 176.300 0.154 0.000 1.042 265 D CA -0.118 53.936 54.000 0.090 0.000 0.847 265 D CB 1.046 41.894 40.800 0.081 0.000 1.186 265 D HN 0.238 nan 8.370 nan 0.000 0.461 266 I N 2.482 123.131 120.570 0.130 0.000 2.517 266 I HA 0.214 4.383 4.170 -0.002 0.000 0.280 266 I C -2.444 173.728 176.117 0.091 0.000 1.061 266 I CA -2.049 59.357 61.300 0.176 0.000 1.091 266 I CB 2.048 40.148 38.000 0.167 0.000 1.205 266 I HN -0.057 nan 8.210 nan 0.000 0.459 267 P HA -0.002 nan 4.420 nan 0.000 0.269 267 P C 1.188 178.522 177.300 0.057 0.000 1.205 267 P CA 0.171 63.298 63.100 0.045 0.000 0.780 267 P CB 0.725 32.435 31.700 0.018 0.000 0.858 268 I N -0.455 120.162 120.570 0.079 0.000 2.163 268 I HA -0.189 3.980 4.170 -0.002 0.000 0.240 268 I C 1.658 177.877 176.117 0.170 0.000 1.081 268 I CA 1.328 62.692 61.300 0.107 0.000 1.353 268 I CB -1.189 36.917 38.000 0.177 0.000 1.054 268 I HN -0.013 nan 8.210 nan 0.000 0.407 269 V N 2.254 122.291 119.914 0.205 0.000 2.439 269 V HA -0.303 3.816 4.120 -0.002 0.000 0.253 269 V C 2.687 178.880 176.094 0.164 0.000 1.074 269 V CA 2.166 64.608 62.300 0.236 0.000 1.076 269 V CB -0.887 31.011 31.823 0.126 0.000 0.664 269 V HN 0.474 nan 8.190 nan 0.000 0.461 270 I N -0.273 120.348 120.570 0.085 0.000 2.315 270 I HA -0.226 3.943 4.170 -0.002 0.000 0.251 270 I C 2.160 178.294 176.117 0.028 0.000 1.125 270 I CA 1.405 62.733 61.300 0.048 0.000 1.392 270 I CB -0.347 37.677 38.000 0.039 0.000 1.065 270 I HN 0.251 nan 8.210 nan 0.000 0.424 271 V N -0.329 119.574 119.914 -0.017 0.000 2.825 271 V HA -0.125 3.994 4.120 -0.002 0.000 0.246 271 V C 2.069 178.077 176.094 -0.143 0.000 1.068 271 V CA 1.062 63.293 62.300 -0.115 0.000 1.088 271 V CB -0.551 31.146 31.823 -0.210 0.000 0.733 271 V HN 0.184 nan 8.190 nan 0.000 0.468 272 F N 0.910 120.835 119.950 -0.042 0.000 2.126 272 F HA -0.129 4.397 4.527 -0.002 0.000 0.299 272 F C 2.518 178.279 175.800 -0.065 0.000 1.096 272 F CA 1.412 59.363 58.000 -0.081 0.000 1.255 272 F CB -0.325 38.621 39.000 -0.090 0.000 0.997 272 F HN -0.015 nan 8.300 nan 0.000 0.479 273 R N 0.038 120.626 120.500 0.147 0.000 2.357 273 R HA 0.045 4.384 4.340 -0.002 0.000 0.202 273 R C 1.339 177.659 176.300 0.033 0.000 1.047 273 R CA 0.720 56.863 56.100 0.071 0.000 1.034 273 R CB -0.377 29.956 30.300 0.055 0.000 0.875 273 R HN 0.224 nan 8.270 nan 0.000 0.473 274 A N -0.102 122.726 122.820 0.014 0.000 2.470 274 A HA 0.257 4.576 4.320 -0.002 0.000 0.251 274 A C 1.389 178.966 177.584 -0.012 0.000 1.245 274 A CA -0.198 51.832 52.037 -0.012 0.000 0.932 274 A CB 0.358 19.333 19.000 -0.041 0.000 1.037 274 A HN 0.127 nan 8.150 nan 0.000 0.522 275 L N -2.645 118.576 121.223 -0.003 0.000 2.614 275 L HA 0.407 4.746 4.340 -0.002 0.000 0.185 275 L C 1.647 178.523 176.870 0.010 0.000 1.098 275 L CA 0.970 55.808 54.840 -0.004 0.000 0.852 275 L CB 0.392 42.433 42.059 -0.030 0.000 1.213 275 L HN 0.411 nan 8.230 nan 0.000 0.491 276 G N -0.655 108.152 108.800 0.011 0.000 4.665 276 G HA2 0.136 4.095 3.960 -0.002 0.000 0.219 276 G HA3 0.136 4.095 3.960 -0.002 0.000 0.219 276 G C -0.467 174.439 174.900 0.010 0.000 0.664 276 G CA -0.180 44.926 45.100 0.010 0.000 0.907 276 G HN -0.030 nan 8.290 nan 0.000 0.689 277 V N 2.290 122.215 119.914 0.019 0.000 2.320 277 V HA 0.303 4.422 4.120 -0.002 0.000 0.268 277 V C 1.082 177.193 176.094 0.030 0.000 1.021 277 V CA -0.347 61.962 62.300 0.015 0.000 0.813 277 V CB 0.898 32.713 31.823 -0.014 0.000 1.054 277 V HN 0.033 nan 8.190 nan 0.000 0.444 278 V N 3.671 123.595 119.914 0.018 0.000 2.426 278 V HA 0.073 4.192 4.120 -0.002 0.000 0.242 278 V C -1.256 174.840 176.094 0.003 0.000 1.036 278 V CA 0.745 63.055 62.300 0.017 0.000 1.044 278 V CB -0.646 31.182 31.823 0.009 0.000 0.688 278 V HN 0.668 nan 8.190 nan 0.000 0.462 279 P HA 0.036 nan 4.420 nan 0.000 0.264 279 P C -0.491 176.798 177.300 -0.020 0.000 1.183 279 P CA 0.393 63.487 63.100 -0.010 0.000 0.763 279 P CB 0.518 32.213 31.700 -0.009 0.000 0.807 280 D N 1.755 122.145 120.400 -0.017 0.000 2.169 280 D HA 0.024 4.663 4.640 -0.002 0.000 0.253 280 D C 1.703 177.980 176.300 -0.039 0.000 1.257 280 D CA -0.057 53.927 54.000 -0.027 0.000 0.976 280 D CB -0.042 40.754 40.800 -0.006 0.000 1.195 280 D HN 0.510 nan 8.370 nan 0.000 0.534 281 R N -0.812 119.662 120.500 -0.043 0.000 1.258 281 R HA -0.329 4.010 4.340 -0.002 0.000 0.031 281 R C 1.250 177.507 176.300 -0.072 0.000 0.958 281 R CA 2.374 58.445 56.100 -0.048 0.000 1.916 281 R CB -1.554 28.729 30.300 -0.028 0.000 0.240 281 R HN 0.466 nan 8.270 nan 0.000 0.707 282 D N 0.258 120.622 120.400 -0.060 0.000 2.190 282 D HA -0.114 4.525 4.640 -0.002 0.000 0.200 282 D C 1.851 178.112 176.300 -0.064 0.000 0.992 282 D CA 1.828 55.792 54.000 -0.058 0.000 0.854 282 D CB -0.214 40.572 40.800 -0.023 0.000 0.936 282 D HN 0.525 nan 8.370 nan 0.000 0.462 283 I N 0.264 120.750 120.570 -0.141 0.000 2.226 283 I HA -0.219 3.950 4.170 -0.002 0.000 0.245 283 I C 1.920 177.819 176.117 -0.364 0.000 1.100 283 I CA 0.504 61.584 61.300 -0.367 0.000 1.374 283 I CB -0.030 37.706 38.000 -0.440 0.000 1.057 283 I HN 0.035 nan 8.210 nan 0.000 0.413 284 L N 0.427 121.515 121.223 -0.226 0.000 2.201 284 L HA -0.138 4.201 4.340 -0.002 0.000 0.212 284 L C 2.369 179.112 176.870 -0.211 0.000 1.105 284 L CA 1.624 56.348 54.840 -0.193 0.000 0.775 284 L CB -1.357 40.620 42.059 -0.136 0.000 0.913 284 L HN 0.371 nan 8.230 nan 0.000 0.440 285 E N -1.003 119.083 120.200 -0.190 0.000 2.153 285 E HA -0.205 4.144 4.350 -0.002 0.000 0.194 285 E C 1.911 178.355 176.600 -0.259 0.000 0.988 285 E CA 0.805 57.082 56.400 -0.206 0.000 0.811 285 E CB -0.065 29.527 29.700 -0.180 0.000 0.746 285 E HN 0.629 nan 8.360 nan 0.000 0.466 286 H N -0.117 118.852 119.070 -0.168 0.000 2.470 286 H HA 0.026 4.581 4.556 -0.002 0.000 0.289 286 H C 2.058 177.356 175.328 -0.050 0.000 1.033 286 H CA 0.727 56.757 56.048 -0.030 0.000 1.331 286 H CB 0.326 30.021 29.762 -0.112 0.000 1.414 286 H HN 0.176 nan 8.280 nan 0.000 0.545 287 I N -0.369 120.146 120.570 -0.092 0.000 2.641 287 I HA -0.110 4.059 4.170 -0.002 0.000 0.232 287 I C 1.511 177.409 176.117 -0.365 0.000 1.060 287 I CA 0.359 61.610 61.300 -0.081 0.000 1.417 287 I CB 0.200 38.185 38.000 -0.026 0.000 1.227 287 I HN 0.119 nan 8.210 nan 0.000 0.434 288 C N -0.669 118.371 119.300 -0.434 0.000 2.547 288 C HA 0.479 4.938 4.460 -0.002 0.000 0.411 288 C C -1.302 173.156 174.990 -0.886 0.000 1.424 288 C CA -0.604 58.106 59.018 -0.514 0.000 1.848 288 C CB 0.880 28.527 27.740 -0.155 0.000 2.062 288 C HN 0.358 nan 8.230 nan 0.000 0.504 289 Y N 1.232 121.517 120.300 -0.024 0.000 2.344 289 Y HA 0.316 4.865 4.550 -0.002 0.000 0.328 289 Y C -0.387 175.472 175.900 -0.069 0.000 1.067 289 Y CA -0.836 57.236 58.100 -0.048 0.000 1.247 289 Y CB 0.558 38.998 38.460 -0.035 0.000 1.113 289 Y HN 0.728 nan 8.280 nan 0.000 0.465 290 D N 3.546 123.940 120.400 -0.009 0.000 2.345 290 D HA 0.366 5.005 4.640 -0.002 0.000 0.247 290 D C -2.724 173.557 176.300 -0.030 0.000 1.108 290 D CA -1.449 52.494 54.000 -0.096 0.000 0.894 290 D CB 1.243 41.913 40.800 -0.217 0.000 1.203 290 D HN 0.146 nan 8.370 nan 0.000 0.430 291 P HA 0.374 nan 4.420 nan 0.000 0.285 291 P C -1.189 176.092 177.300 -0.030 0.000 1.259 291 P CA -0.353 62.703 63.100 -0.074 0.000 0.794 291 P CB 0.547 32.234 31.700 -0.021 0.000 0.940 292 N N 2.781 121.445 118.700 -0.060 0.000 2.593 292 N HA -0.105 4.634 4.740 -0.002 0.000 0.269 292 N C -0.918 174.488 175.510 -0.173 0.000 1.356 292 N CA 0.651 53.571 53.050 -0.217 0.000 0.884 292 N CB -1.259 37.010 38.487 -0.365 0.000 0.913 292 N HN 0.559 nan 8.380 nan 0.000 0.497 293 D N 0.059 120.449 120.400 -0.016 0.000 3.134 293 D HA -0.155 4.484 4.640 -0.002 0.000 0.210 293 D C 0.721 176.995 176.300 -0.043 0.000 1.050 293 D CA 0.885 54.873 54.000 -0.020 0.000 0.954 293 D CB -1.527 39.247 40.800 -0.045 0.000 1.069 293 D HN 0.465 nan 8.370 nan 0.000 0.442 294 F N 0.845 120.800 119.950 0.008 0.000 2.154 294 F HA -0.244 4.282 4.527 -0.002 0.000 0.301 294 F C 2.592 178.388 175.800 -0.007 0.000 1.087 294 F CA 1.757 59.757 58.000 -0.001 0.000 1.274 294 F CB -0.371 38.627 39.000 -0.003 0.000 1.009 294 F HN 0.173 nan 8.300 nan 0.000 0.485 295 Q N -0.325 119.582 119.800 0.178 0.000 2.012 295 Q HA -0.288 4.051 4.340 -0.002 0.000 0.211 295 Q C 2.277 178.301 176.000 0.040 0.000 1.009 295 Q CA 2.062 57.917 55.803 0.086 0.000 0.866 295 Q CB -0.428 28.345 28.738 0.058 0.000 0.945 295 Q HN 0.337 nan 8.270 nan 0.000 0.414 296 M N 0.038 119.649 119.600 0.019 0.000 2.202 296 M HA -0.144 4.335 4.480 -0.002 0.000 0.262 296 M C 2.163 178.457 176.300 -0.009 0.000 1.063 296 M CA 1.450 56.743 55.300 -0.010 0.000 1.097 296 M CB -0.870 31.722 32.600 -0.013 0.000 1.382 296 M HN 0.263 nan 8.290 nan 0.000 0.413 297 L N -0.675 120.548 121.223 -0.001 0.000 2.034 297 L HA -0.157 4.182 4.340 -0.002 0.000 0.203 297 L C 2.273 179.159 176.870 0.026 0.000 1.074 297 L CA 0.853 55.689 54.840 -0.006 0.000 0.748 297 L CB -0.741 41.294 42.059 -0.039 0.000 0.905 297 L HN 0.275 nan 8.230 nan 0.000 0.439 298 E N 0.064 120.306 120.200 0.069 0.000 2.181 298 E HA -0.352 3.997 4.350 -0.002 0.000 0.225 298 E C 2.068 178.682 176.600 0.024 0.000 1.073 298 E CA 2.037 58.474 56.400 0.063 0.000 0.916 298 E CB -0.314 29.425 29.700 0.064 0.000 0.793 298 E HN 0.345 nan 8.360 nan 0.000 0.472 299 M N -0.387 119.217 119.600 0.006 0.000 2.408 299 M HA -0.223 4.256 4.480 -0.002 0.000 0.256 299 M C 1.979 178.278 176.300 -0.002 0.000 1.090 299 M CA 1.272 56.565 55.300 -0.011 0.000 1.038 299 M CB -0.718 31.862 32.600 -0.034 0.000 1.385 299 M HN 0.248 nan 8.290 nan 0.000 0.432 300 M N -0.256 119.348 119.600 0.007 0.000 2.156 300 M HA -0.124 4.355 4.480 -0.002 0.000 0.264 300 M C 1.915 178.224 176.300 0.014 0.000 1.067 300 M CA 1.297 56.604 55.300 0.012 0.000 1.131 300 M CB -1.038 31.566 32.600 0.006 0.000 1.368 300 M HN 0.248 nan 8.290 nan 0.000 0.416 301 K N 0.253 120.662 120.400 0.014 0.000 2.056 301 K HA -0.232 4.087 4.320 -0.002 0.000 0.225 301 K C -0.529 176.072 176.600 0.002 0.000 1.053 301 K CA 2.363 58.655 56.287 0.008 0.000 0.966 301 K CB -1.937 30.565 32.500 0.002 0.000 0.735 301 K HN 0.292 nan 8.250 nan 0.000 0.455 302 P HA -0.131 nan 4.420 nan 0.000 0.218 302 P C 1.106 178.412 177.300 0.010 0.000 1.149 302 P CA 1.440 64.538 63.100 -0.003 0.000 0.817 302 P CB -0.134 31.564 31.700 -0.005 0.000 0.785 303 C N -0.372 118.939 119.300 0.019 0.000 2.462 303 C HA -0.043 4.416 4.460 -0.002 0.000 0.278 303 C C 2.958 177.974 174.990 0.043 0.000 1.253 303 C CA 0.306 59.344 59.018 0.034 0.000 1.713 303 C CB -1.660 26.105 27.740 0.043 0.000 2.049 303 C HN 0.141 nan 8.230 nan 0.000 0.477 304 I N 1.163 121.757 120.570 0.041 0.000 2.179 304 I HA -0.225 3.944 4.170 -0.002 0.000 0.242 304 I C 2.559 178.719 176.117 0.072 0.000 1.088 304 I CA 1.618 62.951 61.300 0.054 0.000 1.357 304 I CB -0.764 37.264 38.000 0.048 0.000 1.051 304 I HN 0.427 nan 8.210 nan 0.000 0.409 305 E N 0.885 121.114 120.200 0.049 0.000 2.208 305 E HA -0.299 4.050 4.350 -0.002 0.000 0.202 305 E C 1.864 178.511 176.600 0.077 0.000 1.014 305 E CA 1.673 58.099 56.400 0.043 0.000 0.819 305 E CB -0.282 29.402 29.700 -0.026 0.000 0.735 305 E HN 0.626 nan 8.360 nan 0.000 0.469 306 E N -0.111 120.118 120.200 0.048 0.000 2.338 306 E HA -0.076 4.273 4.350 -0.002 0.000 0.197 306 E C 1.328 177.943 176.600 0.025 0.000 1.007 306 E CA 0.730 57.145 56.400 0.025 0.000 0.849 306 E CB 0.114 29.820 29.700 0.010 0.000 0.774 306 E HN 0.183 nan 8.360 nan 0.000 0.506 307 A N 0.401 123.258 122.820 0.062 0.000 2.500 307 A HA 0.139 4.458 4.320 -0.002 0.000 0.267 307 A C 0.970 178.598 177.584 0.073 0.000 1.290 307 A CA -0.563 51.501 52.037 0.044 0.000 0.928 307 A CB -0.412 18.616 19.000 0.047 0.000 1.066 307 A HN 0.276 nan 8.150 nan 0.000 0.516 308 F N 0.170 120.104 119.950 -0.027 0.000 2.802 308 F HA 0.113 4.639 4.527 -0.002 0.000 0.302 308 F C 0.785 176.571 175.800 -0.025 0.000 1.211 308 F CA 1.014 59.001 58.000 -0.021 0.000 1.431 308 F CB 0.353 39.342 39.000 -0.019 0.000 1.114 308 F HN 0.067 nan 8.300 nan 0.000 0.567 309 V N -0.589 119.262 119.914 -0.105 0.000 3.359 309 V HA -0.028 4.091 4.120 -0.002 0.000 0.270 309 V C 2.054 178.079 176.094 -0.114 0.000 1.583 309 V CA 0.059 62.270 62.300 -0.149 0.000 1.019 309 V CB -0.118 31.670 31.823 -0.058 0.000 0.831 309 V HN 0.189 nan 8.190 nan 0.000 0.426 310 I N 1.608 122.129 120.570 -0.082 0.000 4.215 310 I HA -0.491 3.678 4.170 -0.002 0.000 0.124 310 I C 2.161 178.247 176.117 -0.052 0.000 0.707 310 I CA 3.090 64.357 61.300 -0.055 0.000 0.818 310 I CB -0.646 37.333 38.000 -0.035 0.000 0.653 310 I HN 0.560 nan 8.210 nan 0.000 0.249 311 Q N -1.109 118.655 119.800 -0.059 0.000 2.164 311 Q HA 0.108 4.447 4.340 -0.002 0.000 0.226 311 Q C 0.173 176.149 176.000 -0.041 0.000 0.813 311 Q CA -0.066 55.695 55.803 -0.070 0.000 0.978 311 Q CB 0.887 29.550 28.738 -0.125 0.000 1.149 311 Q HN 0.512 nan 8.270 nan 0.000 0.489 312 D N 0.568 120.952 120.400 -0.026 0.000 3.505 312 D HA 0.283 4.922 4.640 -0.002 0.000 0.197 312 D C 0.588 176.889 176.300 0.001 0.000 1.138 312 D CA 0.045 54.037 54.000 -0.012 0.000 1.372 312 D CB 0.580 41.373 40.800 -0.013 0.000 0.945 312 D HN -0.037 nan 8.370 nan 0.000 0.175 313 K N -0.318 120.086 120.400 0.007 0.000 2.474 313 K HA 0.140 4.459 4.320 -0.002 0.000 0.202 313 K C 0.730 177.341 176.600 0.017 0.000 1.248 313 K CA -0.009 56.287 56.287 0.016 0.000 0.946 313 K CB 1.029 33.545 32.500 0.027 0.000 1.102 313 K HN 0.037 nan 8.250 nan 0.000 0.541 314 D N 1.820 122.229 120.400 0.016 0.000 2.077 314 D HA -0.102 4.537 4.640 -0.002 0.000 0.197 314 D C 1.860 178.170 176.300 0.017 0.000 0.983 314 D CA 1.184 55.196 54.000 0.019 0.000 0.841 314 D CB -0.249 40.560 40.800 0.015 0.000 0.992 314 D HN 0.023 nan 8.370 nan 0.000 0.450 315 I N 1.530 122.108 120.570 0.013 0.000 2.113 315 I HA -0.345 3.824 4.170 -0.002 0.000 0.242 315 I C 2.520 178.662 176.117 0.041 0.000 1.064 315 I CA 1.320 62.634 61.300 0.023 0.000 1.320 315 I CB -0.407 37.595 38.000 0.005 0.000 1.028 315 I HN -0.058 nan 8.210 nan 0.000 0.406 316 A N 1.054 123.889 122.820 0.026 0.000 1.882 316 A HA -0.290 4.029 4.320 -0.002 0.000 0.220 316 A C 2.111 179.716 177.584 0.036 0.000 1.253 316 A CA 2.288 54.346 52.037 0.035 0.000 0.664 316 A CB -1.208 17.800 19.000 0.014 0.000 0.838 316 A HN 0.365 nan 8.150 nan 0.000 0.460 317 L N -0.082 121.135 121.223 -0.010 0.000 2.191 317 L HA -0.162 4.177 4.340 -0.002 0.000 0.212 317 L C 1.952 178.812 176.870 -0.017 0.000 1.103 317 L CA 1.845 56.651 54.840 -0.057 0.000 0.769 317 L CB -0.716 41.273 42.059 -0.116 0.000 0.908 317 L HN 0.366 nan 8.230 nan 0.000 0.438 318 D N -1.033 119.382 120.400 0.025 0.000 2.077 318 D HA -0.249 4.390 4.640 -0.002 0.000 0.193 318 D C 1.279 177.617 176.300 0.063 0.000 0.989 318 D CA 1.087 55.112 54.000 0.042 0.000 0.831 318 D CB -0.444 40.390 40.800 0.055 0.000 0.979 318 D HN 0.344 nan 8.370 nan 0.000 0.449 319 Y N 1.155 121.443 120.300 -0.020 0.000 3.355 319 Y HA 0.066 4.615 4.550 -0.002 0.000 0.377 319 Y C 0.538 176.422 175.900 -0.027 0.000 0.991 319 Y CA 0.416 58.506 58.100 -0.017 0.000 2.071 319 Y CB -0.976 37.475 38.460 -0.014 0.000 2.299 319 Y HN 0.013 nan 8.280 nan 0.000 0.406 320 I N 0.460 120.915 120.570 -0.192 0.000 4.050 320 I HA 0.164 4.333 4.170 -0.002 0.000 0.328 320 I C 1.108 177.137 176.117 -0.147 0.000 1.439 320 I CA -0.153 61.015 61.300 -0.219 0.000 1.099 320 I CB 0.453 38.372 38.000 -0.135 0.000 1.469 320 I HN 0.384 nan 8.210 nan 0.000 0.572 321 G N 3.099 111.819 108.800 -0.132 0.000 2.977 321 G HA2 0.395 4.354 3.960 -0.002 0.000 0.306 321 G HA3 0.395 4.354 3.960 -0.002 0.000 0.306 321 G C 0.158 175.010 174.900 -0.080 0.000 0.885 321 G CA -0.045 45.019 45.100 -0.061 0.000 1.649 321 G HN 0.460 nan 8.290 nan 0.000 0.514 322 K N 1.338 121.695 120.400 -0.072 0.000 2.709 322 K HA 0.236 4.555 4.320 -0.002 0.000 0.288 322 K C 0.152 176.720 176.600 -0.053 0.000 1.362 322 K CA -0.823 55.422 56.287 -0.069 0.000 1.002 322 K CB 0.436 32.866 32.500 -0.116 0.000 1.407 322 K HN 0.193 nan 8.250 nan 0.000 0.526 323 R N 0.971 121.475 120.500 0.006 0.000 2.147 323 R HA 0.278 4.617 4.340 -0.002 0.000 0.209 323 R C 0.501 176.815 176.300 0.022 0.000 1.129 323 R CA 1.965 58.082 56.100 0.028 0.000 0.914 323 R CB -0.065 30.306 30.300 0.119 0.000 0.771 323 R HN 0.768 nan 8.270 nan 0.000 0.474 324 G N -2.736 106.101 108.800 0.062 0.000 2.315 324 G HA2 0.158 4.117 3.960 -0.002 0.000 0.294 324 G HA3 0.158 4.117 3.960 -0.002 0.000 0.294 324 G C -1.172 173.758 174.900 0.050 0.000 1.300 324 G CA -0.431 44.708 45.100 0.066 0.000 0.843 324 G HN 0.254 nan 8.290 nan 0.000 0.527 325 S N 0.387 116.108 115.700 0.034 0.000 2.977 325 S HA 0.483 4.952 4.470 -0.002 0.000 0.250 325 S C 0.301 174.906 174.600 0.009 0.000 1.005 325 S CA 0.743 58.957 58.200 0.024 0.000 1.081 325 S CB 0.232 63.448 63.200 0.026 0.000 1.018 325 S HN 2.479 nan 8.310 nan 0.000 0.539 326 T N -0.079 114.477 114.554 0.004 0.000 2.058 326 T HA -0.116 4.233 4.350 -0.002 0.000 0.581 326 T C -0.296 174.396 174.700 -0.014 0.000 0.892 326 T CA 0.527 62.625 62.100 -0.004 0.000 3.090 326 T CB -2.102 66.766 68.868 -0.001 0.000 1.855 326 T HN 0.738 nan 8.240 nan 0.000 0.478 327 T N 0.660 115.200 114.554 -0.023 0.000 2.653 327 T HA 0.934 5.283 4.350 -0.002 0.000 0.306 327 T C 0.923 175.597 174.700 -0.044 0.000 1.426 327 T CA 0.067 62.143 62.100 -0.039 0.000 1.008 327 T CB 0.778 69.610 68.868 -0.061 0.000 1.692 327 T HN 2.710 nan 8.240 nan 0.000 0.483 328 G N -1.017 107.748 108.800 -0.058 0.000 2.610 328 G HA2 0.368 4.327 3.960 -0.002 0.000 0.304 328 G HA3 0.368 4.327 3.960 -0.002 0.000 0.304 328 G C -0.147 174.734 174.900 -0.031 0.000 1.309 328 G CA -0.052 45.017 45.100 -0.051 0.000 0.906 328 G HN 2.288 nan 8.290 nan 0.000 0.521 329 V N 0.107 120.008 119.914 -0.021 0.000 5.770 329 V HA 0.384 4.503 4.120 -0.002 0.000 0.290 329 V C 0.672 176.762 176.094 -0.008 0.000 0.997 329 V CA 1.579 63.872 62.300 -0.012 0.000 1.591 329 V CB -0.767 31.048 31.823 -0.013 0.000 0.481 329 V HN 3.032 nan 8.190 nan 0.000 0.453 330 T N -0.541 114.011 114.554 -0.003 0.000 3.769 330 T HA 0.249 4.598 4.350 -0.002 0.000 0.271 330 T C 1.378 176.082 174.700 0.006 0.000 0.931 330 T CA 0.436 62.535 62.100 -0.002 0.000 1.159 330 T CB 0.077 68.946 68.868 0.002 0.000 1.083 330 T HN 0.442 nan 8.240 nan 0.000 0.418 331 R N 1.727 122.234 120.500 0.012 0.000 2.124 331 R HA 0.178 4.518 4.340 -0.002 0.000 0.215 331 R C 2.200 178.517 176.300 0.029 0.000 1.145 331 R CA 1.429 57.541 56.100 0.020 0.000 0.898 331 R CB -1.050 29.262 30.300 0.021 0.000 0.790 331 R HN 0.544 nan 8.270 nan 0.000 0.458 332 E N 1.072 121.290 120.200 0.031 0.000 2.246 332 E HA -0.315 4.034 4.350 -0.002 0.000 0.232 332 E C 2.047 178.677 176.600 0.050 0.000 1.087 332 E CA 2.227 58.652 56.400 0.041 0.000 0.964 332 E CB -0.197 29.520 29.700 0.028 0.000 0.827 332 E HN 0.307 nan 8.360 nan 0.000 0.476 333 K N 0.065 120.481 120.400 0.027 0.000 2.020 333 K HA -0.187 4.133 4.320 -0.002 0.000 0.212 333 K C 2.270 178.895 176.600 0.041 0.000 1.050 333 K CA 1.594 57.892 56.287 0.017 0.000 0.929 333 K CB -0.177 32.312 32.500 -0.019 0.000 0.714 333 K HN 0.062 nan 8.250 nan 0.000 0.443 334 R N 0.740 121.262 120.500 0.036 0.000 2.096 334 R HA -0.147 4.192 4.340 -0.002 0.000 0.240 334 R C 2.389 178.728 176.300 0.064 0.000 1.139 334 R CA 1.509 57.642 56.100 0.055 0.000 0.952 334 R CB -0.546 29.771 30.300 0.027 0.000 0.854 334 R HN 0.166 nan 8.270 nan 0.000 0.436 335 L N 0.129 121.387 121.223 0.057 0.000 2.012 335 L HA -0.230 4.109 4.340 -0.002 0.000 0.210 335 L C 2.631 179.588 176.870 0.146 0.000 1.073 335 L CA 1.551 56.419 54.840 0.047 0.000 0.748 335 L CB -0.431 41.721 42.059 0.155 0.000 0.891 335 L HN 0.192 nan 8.230 nan 0.000 0.431 336 R N -1.362 119.289 120.500 0.251 0.000 2.083 336 R HA -0.222 4.117 4.340 -0.002 0.000 0.237 336 R C 2.362 178.833 176.300 0.286 0.000 1.137 336 R CA 1.637 57.927 56.100 0.317 0.000 0.951 336 R CB -0.505 29.897 30.300 0.169 0.000 0.851 336 R HN 0.211 nan 8.270 nan 0.000 0.434 337 Y N 1.027 121.347 120.300 0.033 0.000 2.224 337 Y HA -0.171 4.378 4.550 -0.002 0.000 0.289 337 Y C 2.276 178.144 175.900 -0.053 0.000 1.146 337 Y CA 0.797 58.891 58.100 -0.009 0.000 1.182 337 Y CB -0.705 37.733 38.460 -0.036 0.000 0.983 337 Y HN 0.080 nan 8.280 nan 0.000 0.524 338 A N -0.324 122.463 122.820 -0.055 0.000 1.883 338 A HA -0.227 4.092 4.320 -0.002 0.000 0.217 338 A C 2.109 179.559 177.584 -0.223 0.000 1.186 338 A CA 1.909 53.810 52.037 -0.227 0.000 0.624 338 A CB -1.057 17.756 19.000 -0.312 0.000 0.822 338 A HN 0.619 nan 8.150 nan 0.000 0.444 339 H N 0.025 119.094 119.070 -0.002 0.000 2.353 339 H HA -0.113 4.442 4.556 -0.002 0.000 0.300 339 H C 1.592 176.917 175.328 -0.006 0.000 1.090 339 H CA 1.594 57.642 56.048 -0.001 0.000 1.327 339 H CB -0.385 29.388 29.762 0.018 0.000 1.383 339 H HN 0.451 nan 8.280 nan 0.000 0.508 340 D N 0.855 121.328 120.400 0.122 0.000 2.104 340 D HA -0.108 4.532 4.640 -0.002 0.000 0.194 340 D C 2.433 178.724 176.300 -0.016 0.000 0.994 340 D CA 0.628 54.670 54.000 0.071 0.000 0.830 340 D CB -0.387 40.487 40.800 0.123 0.000 0.959 340 D HN 0.332 nan 8.370 nan 0.000 0.452 341 I N 0.603 121.102 120.570 -0.119 0.000 2.163 341 I HA -0.255 3.914 4.170 -0.002 0.000 0.243 341 I C 2.220 178.284 176.117 -0.088 0.000 1.085 341 I CA 0.805 62.007 61.300 -0.164 0.000 1.347 341 I CB -0.246 37.588 38.000 -0.276 0.000 1.044 341 I HN -0.026 nan 8.210 nan 0.000 0.408 342 L N -0.107 121.075 121.223 -0.068 0.000 2.450 342 L HA -0.159 4.180 4.340 -0.002 0.000 0.224 342 L C 0.982 177.844 176.870 -0.013 0.000 1.149 342 L CA 0.976 55.791 54.840 -0.042 0.000 0.816 342 L CB -0.453 41.592 42.059 -0.023 0.000 0.932 342 L HN 0.351 nan 8.230 nan 0.000 0.449 343 Q N -0.152 119.649 119.800 0.003 0.000 2.628 343 Q HA 0.249 4.588 4.340 -0.002 0.000 0.397 343 Q C -0.059 175.948 176.000 0.012 0.000 0.916 343 Q CA -0.042 55.772 55.803 0.018 0.000 1.071 343 Q CB 0.763 29.530 28.738 0.048 0.000 1.367 343 Q HN 0.243 nan 8.270 nan 0.000 0.404 344 K N -1.013 119.385 120.400 -0.003 0.000 1.175 344 K HA -0.066 4.253 4.320 -0.002 0.000 0.076 344 K C 0.784 177.390 176.600 0.010 0.000 2.460 344 K CA 0.138 56.430 56.287 0.009 0.000 1.020 344 K CB 0.089 32.605 32.500 0.025 0.000 2.744 344 K HN -0.007 nan 8.250 nan 0.000 0.330 345 E N 0.977 121.174 120.200 -0.005 0.000 2.065 345 E HA 0.088 4.437 4.350 -0.002 0.000 0.191 345 E C 0.461 177.052 176.600 -0.015 0.000 0.960 345 E CA 0.284 56.685 56.400 0.002 0.000 0.824 345 E CB 0.309 29.992 29.700 -0.028 0.000 0.793 345 E HN 0.062 nan 8.360 nan 0.000 0.459 346 L N 2.916 124.112 121.223 -0.046 0.000 2.704 346 L HA -0.024 4.315 4.340 -0.002 0.000 0.279 346 L C 0.310 177.139 176.870 -0.070 0.000 1.147 346 L CA 0.108 54.914 54.840 -0.056 0.000 0.994 346 L CB -1.158 40.855 42.059 -0.075 0.000 1.332 346 L HN 0.248 nan 8.230 nan 0.000 0.471 347 L N 6.362 127.557 121.223 -0.046 0.000 3.746 347 L HA -0.191 4.148 4.340 -0.002 0.000 0.542 347 L C -1.132 175.650 176.870 -0.147 0.000 1.268 347 L CA 0.039 54.823 54.840 -0.094 0.000 0.818 347 L CB -0.657 41.261 42.059 -0.235 0.000 1.472 347 L HN 0.469 nan 8.230 nan 0.000 0.843 348 P HA -0.216 nan 4.420 nan 0.000 0.217 348 P C 0.947 178.247 177.300 0.001 0.000 1.148 348 P CA 2.052 65.154 63.100 0.003 0.000 0.834 348 P CB -0.329 31.404 31.700 0.055 0.000 0.783 349 H N -1.026 118.006 119.070 -0.062 0.000 2.136 349 H HA 0.198 4.753 4.556 -0.002 0.000 0.311 349 H C 1.686 176.943 175.328 -0.118 0.000 1.737 349 H CA -0.196 55.813 56.048 -0.066 0.000 1.439 349 H CB -0.126 29.616 29.762 -0.033 0.000 1.733 349 H HN -0.073 nan 8.280 nan 0.000 0.637 350 I N -1.789 118.643 120.570 -0.230 0.000 4.879 350 I HA -0.379 3.790 4.170 -0.002 0.000 0.039 350 I C 0.511 176.513 176.117 -0.191 0.000 0.634 350 I CA 2.132 63.267 61.300 -0.276 0.000 0.345 350 I CB -1.589 36.101 38.000 -0.517 0.000 0.398 350 I HN 0.867 nan 8.210 nan 0.000 0.151 351 T N 0.183 114.606 114.554 -0.218 0.000 2.982 351 T HA 0.540 4.889 4.350 -0.002 0.000 0.321 351 T C -0.010 174.613 174.700 -0.128 0.000 1.229 351 T CA 0.213 62.183 62.100 -0.216 0.000 1.044 351 T CB 1.474 70.095 68.868 -0.411 0.000 1.184 351 T HN 0.524 nan 8.240 nan 0.000 0.477 352 T N 2.515 117.015 114.554 -0.091 0.000 3.174 352 T HA 0.314 4.663 4.350 -0.002 0.000 0.269 352 T C 1.411 176.120 174.700 0.015 0.000 1.017 352 T CA -0.571 61.513 62.100 -0.027 0.000 0.899 352 T CB -0.046 68.811 68.868 -0.018 0.000 1.077 352 T HN 0.355 nan 8.240 nan 0.000 0.552 353 M N 2.046 121.664 119.600 0.029 0.000 2.165 353 M HA 0.367 4.846 4.480 -0.002 0.000 0.186 353 M C 1.607 178.016 176.300 0.182 0.000 0.956 353 M CA 0.918 56.298 55.300 0.133 0.000 1.612 353 M CB -0.528 32.221 32.600 0.249 0.000 0.986 353 M HN 0.192 nan 8.290 nan 0.000 0.783 354 E N -1.248 119.110 120.200 0.263 0.000 3.203 354 E HA 0.204 4.554 4.350 -0.002 0.000 0.200 354 E C 0.909 177.562 176.600 0.087 0.000 1.089 354 E CA 0.232 56.713 56.400 0.136 0.000 1.430 354 E CB -0.077 29.664 29.700 0.068 0.000 1.328 354 E HN 0.675 nan 8.360 nan 0.000 0.580 355 G N 1.134 109.904 108.800 -0.051 0.000 3.343 355 G HA2 0.345 4.304 3.960 -0.002 0.000 0.264 355 G HA3 0.345 4.304 3.960 -0.002 0.000 0.264 355 G C -0.697 173.707 174.900 -0.827 0.000 0.884 355 G CA 0.002 44.880 45.100 -0.371 0.000 1.916 355 G HN 0.040 nan 8.290 nan 0.000 0.618 356 F N -0.018 119.935 119.950 0.005 0.000 2.632 356 F HA 0.270 4.796 4.527 -0.002 0.000 0.378 356 F C 0.600 176.403 175.800 0.005 0.000 1.478 356 F CA -0.602 57.402 58.000 0.007 0.000 1.089 356 F CB 1.136 40.133 39.000 -0.005 0.000 1.917 356 F HN 0.158 nan 8.300 nan 0.000 0.538 357 E N -0.822 119.437 120.200 0.099 0.000 2.476 357 E HA 0.039 4.388 4.350 -0.002 0.000 0.199 357 E C 1.957 178.598 176.600 0.068 0.000 1.021 357 E CA 0.448 56.889 56.400 0.067 0.000 0.907 357 E CB 0.441 30.161 29.700 0.034 0.000 0.974 357 E HN 0.311 nan 8.360 nan 0.000 0.489 358 T N 0.103 114.717 114.554 0.100 0.000 3.067 358 T HA 0.048 4.397 4.350 -0.002 0.000 0.257 358 T C 1.702 176.578 174.700 0.292 0.000 1.105 358 T CA 0.457 62.640 62.100 0.137 0.000 1.104 358 T CB 0.197 69.150 68.868 0.142 0.000 0.925 358 T HN 0.043 nan 8.240 nan 0.000 0.498 359 R N 0.468 121.132 120.500 0.274 0.000 2.075 359 R HA 0.143 4.482 4.340 -0.002 0.000 0.226 359 R C 2.155 178.707 176.300 0.420 0.000 1.114 359 R CA 0.961 57.261 56.100 0.333 0.000 0.972 359 R CB -0.004 30.427 30.300 0.218 0.000 0.869 359 R HN 0.283 nan 8.270 nan 0.000 0.437 360 K N 0.353 120.881 120.400 0.213 0.000 2.555 360 K HA 0.068 4.387 4.320 -0.002 0.000 0.193 360 K C 1.509 178.212 176.600 0.173 0.000 1.032 360 K CA 0.511 56.883 56.287 0.142 0.000 1.004 360 K CB 0.348 32.827 32.500 -0.035 0.000 0.804 360 K HN 0.138 nan 8.250 nan 0.000 0.496 361 A N 0.209 123.115 122.820 0.144 0.000 2.021 361 A HA 0.030 4.349 4.320 -0.002 0.000 0.216 361 A C 1.526 179.081 177.584 -0.049 0.000 1.163 361 A CA 0.651 52.630 52.037 -0.097 0.000 0.676 361 A CB -0.200 18.585 19.000 -0.357 0.000 0.818 361 A HN 0.156 nan 8.150 nan 0.000 0.453 362 F N -1.638 118.488 119.950 0.293 0.000 2.179 362 F HA 0.113 4.639 4.527 -0.002 0.000 0.292 362 F C 1.921 178.048 175.800 0.545 0.000 1.089 362 F CA 0.567 58.833 58.000 0.444 0.000 1.295 362 F CB -0.819 38.285 39.000 0.174 0.000 1.041 362 F HN 0.164 nan 8.300 nan 0.000 0.487 363 F N 0.940 121.253 119.950 0.605 0.000 2.063 363 F HA -0.293 4.233 4.527 -0.002 0.000 0.298 363 F C 2.273 178.365 175.800 0.487 0.000 1.109 363 F CA 1.694 60.036 58.000 0.571 0.000 1.212 363 F CB -1.270 37.960 39.000 0.382 0.000 0.973 363 F HN -0.128 nan 8.300 nan 0.000 0.480 364 L N -0.484 121.042 121.223 0.505 0.000 2.043 364 L HA -0.236 4.103 4.340 -0.002 0.000 0.212 364 L C 2.789 179.911 176.870 0.420 0.000 1.075 364 L CA 1.584 56.607 54.840 0.304 0.000 0.752 364 L CB -1.601 40.428 42.059 -0.050 0.000 0.891 364 L HN 0.301 nan 8.230 nan 0.000 0.432 365 G N -1.271 107.863 108.800 0.556 0.000 2.422 365 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.218 365 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.218 365 G C 1.476 176.637 174.900 0.435 0.000 1.146 365 G CA 0.893 46.295 45.100 0.503 0.000 0.769 365 G HN 0.396 nan 8.290 nan 0.000 0.547 366 Y N 0.734 121.261 120.300 0.378 0.000 2.153 366 Y HA 0.030 4.579 4.550 -0.002 0.000 0.289 366 Y C 2.857 178.937 175.900 0.301 0.000 1.127 366 Y CA 1.485 59.762 58.100 0.294 0.000 1.131 366 Y CB -0.296 38.282 38.460 0.197 0.000 0.995 366 Y HN 0.102 nan 8.280 nan 0.000 0.505 367 M N 0.492 120.234 119.600 0.236 0.000 2.539 367 M HA -0.297 4.182 4.480 -0.002 0.000 0.265 367 M C 2.309 178.645 176.300 0.059 0.000 1.064 367 M CA 2.911 58.279 55.300 0.113 0.000 1.077 367 M CB -0.914 31.825 32.600 0.232 0.000 1.246 367 M HN 0.563 nan 8.290 nan 0.000 0.470 368 I N -2.810 117.849 120.570 0.147 0.000 2.916 368 I HA -0.226 3.943 4.170 -0.002 0.000 0.267 368 I C 2.107 178.278 176.117 0.091 0.000 1.263 368 I CA 1.433 62.803 61.300 0.116 0.000 1.471 368 I CB -0.874 37.217 38.000 0.152 0.000 1.089 368 I HN 0.328 nan 8.210 nan 0.000 0.468 369 H N 1.875 120.944 119.070 -0.001 0.000 2.357 369 H HA -0.041 4.514 4.556 -0.002 0.000 0.301 369 H C 2.309 177.602 175.328 -0.059 0.000 1.082 369 H CA 1.668 57.701 56.048 -0.025 0.000 1.342 369 H CB 0.071 29.833 29.762 0.001 0.000 1.389 369 H HN 0.122 nan 8.280 nan 0.000 0.511 370 R N 0.005 120.412 120.500 -0.154 0.000 2.070 370 R HA -0.121 4.218 4.340 -0.002 0.000 0.232 370 R C 2.449 178.683 176.300 -0.110 0.000 1.138 370 R CA 1.510 57.501 56.100 -0.182 0.000 0.936 370 R CB -0.746 29.455 30.300 -0.165 0.000 0.839 370 R HN 0.446 nan 8.270 nan 0.000 0.429 371 M N 0.797 120.372 119.600 -0.041 0.000 2.226 371 M HA -0.250 4.229 4.480 -0.002 0.000 0.257 371 M C 2.527 178.781 176.300 -0.075 0.000 1.070 371 M CA 1.827 57.128 55.300 0.003 0.000 1.087 371 M CB -1.253 31.362 32.600 0.025 0.000 1.278 371 M HN 0.124 nan 8.290 nan 0.000 0.426 372 L N 0.085 121.241 121.223 -0.112 0.000 2.151 372 L HA -0.247 4.092 4.340 -0.002 0.000 0.215 372 L C 2.438 179.222 176.870 -0.143 0.000 1.084 372 L CA 1.064 55.821 54.840 -0.139 0.000 0.764 372 L CB -0.776 41.215 42.059 -0.113 0.000 0.891 372 L HN 0.369 nan 8.230 nan 0.000 0.435 373 L N -1.743 119.383 121.223 -0.161 0.000 2.362 373 L HA -0.185 4.154 4.340 -0.002 0.000 0.219 373 L C 2.227 179.071 176.870 -0.044 0.000 1.134 373 L CA 0.510 55.274 54.840 -0.127 0.000 0.807 373 L CB -0.432 41.529 42.059 -0.163 0.000 0.927 373 L HN 0.414 nan 8.230 nan 0.000 0.447 374 C N -1.299 117.998 119.300 -0.005 0.000 2.469 374 C HA 0.245 4.705 4.460 -0.002 0.000 0.309 374 C C 3.029 178.099 174.990 0.134 0.000 1.385 374 C CA 0.234 59.325 59.018 0.122 0.000 1.890 374 C CB -0.390 27.512 27.740 0.270 0.000 2.245 374 C HN 0.546 nan 8.230 nan 0.000 0.530 375 A N 0.625 123.352 122.820 -0.155 0.000 1.883 375 A HA -0.167 4.152 4.320 -0.002 0.000 0.217 375 A C 2.048 179.568 177.584 -0.107 0.000 1.186 375 A CA 1.546 53.375 52.037 -0.347 0.000 0.624 375 A CB -0.807 17.752 19.000 -0.735 0.000 0.822 375 A HN 0.596 nan 8.150 nan 0.000 0.444 376 L N -0.937 120.228 121.223 -0.096 0.000 2.456 376 L HA -0.055 4.284 4.340 -0.002 0.000 0.224 376 L C 0.844 177.707 176.870 -0.012 0.000 1.148 376 L CA 1.273 56.085 54.840 -0.047 0.000 0.825 376 L CB -0.202 41.829 42.059 -0.047 0.000 0.937 376 L HN 0.671 nan 8.230 nan 0.000 0.450 377 E N -0.044 120.161 120.200 0.008 0.000 2.264 377 E HA -0.254 4.095 4.350 -0.002 0.000 0.223 377 E C 0.542 177.150 176.600 0.013 0.000 1.220 377 E CA 0.131 56.548 56.400 0.029 0.000 0.692 377 E CB -0.688 29.030 29.700 0.030 0.000 1.203 377 E HN 0.539 nan 8.360 nan 0.000 0.384 378 R N -0.030 120.472 120.500 0.004 0.000 2.335 378 R HA 0.294 4.634 4.340 -0.002 0.000 0.210 378 R C 1.220 177.520 176.300 0.001 0.000 0.892 378 R CA 0.370 56.468 56.100 -0.004 0.000 1.048 378 R CB 0.650 30.937 30.300 -0.022 0.000 1.067 378 R HN 0.201 nan 8.270 nan 0.000 0.524 379 R N -0.608 119.896 120.500 0.007 0.000 3.712 379 R HA 0.326 4.665 4.340 -0.002 0.000 0.250 379 R C -1.044 175.269 176.300 0.022 0.000 1.123 379 R CA -0.728 55.379 56.100 0.012 0.000 0.904 379 R CB 1.196 31.498 30.300 0.004 0.000 1.585 379 R HN -0.092 nan 8.270 nan 0.000 0.418 380 E N 1.042 121.256 120.200 0.023 0.000 2.331 380 E HA 0.339 4.689 4.350 -0.002 0.000 0.275 380 E C -2.672 173.944 176.600 0.028 0.000 0.895 380 E CA -1.937 54.477 56.400 0.025 0.000 0.753 380 E CB 2.387 32.100 29.700 0.023 0.000 1.216 380 E HN 0.217 nan 8.360 nan 0.000 0.434 381 P HA -0.057 nan 4.420 nan 0.000 0.260 381 P C -0.435 176.893 177.300 0.046 0.000 1.185 381 P CA 0.143 63.254 63.100 0.018 0.000 0.763 381 P CB 0.274 31.950 31.700 -0.040 0.000 0.776 382 D N 2.116 122.557 120.400 0.070 0.000 2.461 382 D HA -0.110 4.529 4.640 -0.002 0.000 0.231 382 D C -0.199 176.173 176.300 0.121 0.000 1.208 382 D CA 0.641 54.694 54.000 0.089 0.000 0.879 382 D CB 0.334 41.184 40.800 0.083 0.000 1.220 382 D HN 0.220 nan 8.370 nan 0.000 0.480 383 D N 1.157 121.642 120.400 0.141 0.000 2.303 383 D HA 0.175 4.814 4.640 -0.002 0.000 0.236 383 D C 0.484 176.890 176.300 0.178 0.000 1.068 383 D CA -0.405 53.685 54.000 0.150 0.000 0.830 383 D CB 0.695 41.589 40.800 0.156 0.000 1.109 383 D HN 0.339 nan 8.370 nan 0.000 0.496 384 R N 2.681 123.270 120.500 0.148 0.000 2.313 384 R HA -0.014 4.325 4.340 -0.002 0.000 0.199 384 R C 0.467 176.814 176.300 0.078 0.000 0.958 384 R CA 0.239 56.411 56.100 0.119 0.000 1.047 384 R CB 0.348 30.740 30.300 0.153 0.000 0.955 384 R HN 0.432 nan 8.270 nan 0.000 0.481 385 D N 0.145 120.544 120.400 -0.002 0.000 2.087 385 D HA -0.138 4.501 4.640 -0.002 0.000 0.192 385 D C 0.017 176.320 176.300 0.006 0.000 0.993 385 D CA 1.314 55.218 54.000 -0.160 0.000 0.828 385 D CB -0.445 39.928 40.800 -0.712 0.000 0.968 385 D HN 0.298 nan 8.370 nan 0.000 0.448 386 H N -0.841 118.288 119.070 0.098 0.000 3.152 386 H HA -0.008 4.548 4.556 -0.002 0.000 0.319 386 H C 0.788 176.195 175.328 0.132 0.000 0.994 386 H CA 0.812 56.979 56.048 0.199 0.000 1.370 386 H CB 0.081 29.912 29.762 0.115 0.000 1.322 386 H HN 0.057 nan 8.280 nan 0.000 0.590 387 F N 0.973 120.953 119.950 0.051 0.000 2.542 387 F HA -0.426 4.100 4.527 -0.001 0.000 0.730 387 F C 2.363 178.199 175.800 0.059 0.000 0.487 387 F CA 2.466 60.466 58.000 0.000 0.000 0.731 387 F CB -1.378 37.522 39.000 -0.167 0.000 1.596 387 F HN 0.660 nan 8.300 nan 0.000 0.273 388 G N -0.375 108.773 108.800 0.580 0.000 2.507 388 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.221 388 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.221 388 G C 1.341 176.259 174.900 0.030 0.000 1.119 388 G CA 1.428 46.821 45.100 0.488 0.000 0.751 388 G HN 0.558 nan 8.290 nan 0.000 0.574 389 K N -0.452 119.950 120.400 0.003 0.000 2.334 389 K HA 0.148 4.468 4.320 -0.002 0.000 0.195 389 K C 0.732 177.225 176.600 -0.178 0.000 1.045 389 K CA -0.022 56.155 56.287 -0.184 0.000 1.004 389 K CB 0.338 32.722 32.500 -0.195 0.000 0.837 389 K HN 0.164 nan 8.250 nan 0.000 0.510 390 K N 1.369 121.697 120.400 -0.119 0.000 2.154 390 K HA 0.247 4.566 4.320 -0.002 0.000 0.264 390 K C -0.271 176.198 176.600 -0.218 0.000 1.008 390 K CA -0.171 56.029 56.287 -0.144 0.000 0.937 390 K CB 1.157 33.611 32.500 -0.076 0.000 1.002 390 K HN -0.051 nan 8.250 nan 0.000 0.469 391 R N 1.612 122.007 120.500 -0.175 0.000 2.711 391 R HA 0.413 4.752 4.340 -0.002 0.000 0.284 391 R C -0.670 175.554 176.300 -0.127 0.000 0.968 391 R CA -0.869 55.127 56.100 -0.173 0.000 0.924 391 R CB 1.138 31.349 30.300 -0.150 0.000 1.162 391 R HN 0.339 nan 8.270 nan 0.000 0.465 392 L N 2.383 123.534 121.223 -0.121 0.000 2.265 392 L HA 0.237 4.576 4.340 -0.002 0.000 0.288 392 L C -0.569 176.269 176.870 -0.054 0.000 1.058 392 L CA -0.470 54.324 54.840 -0.077 0.000 0.809 392 L CB 1.061 43.078 42.059 -0.071 0.000 1.179 392 L HN 0.436 nan 8.230 nan 0.000 0.429 393 D N 4.648 125.027 120.400 -0.036 0.000 2.453 393 D HA 0.289 4.928 4.640 -0.002 0.000 0.223 393 D C 0.560 176.857 176.300 -0.004 0.000 1.183 393 D CA -0.039 53.945 54.000 -0.027 0.000 0.933 393 D CB 0.610 41.388 40.800 -0.036 0.000 1.038 393 D HN 0.279 nan 8.370 nan 0.000 0.513 394 L N 0.764 121.989 121.223 0.002 0.000 2.341 394 L HA 0.091 4.430 4.340 -0.002 0.000 0.185 394 L C 1.932 178.830 176.870 0.048 0.000 1.091 394 L CA -0.287 54.568 54.840 0.025 0.000 0.899 394 L CB 0.092 42.166 42.059 0.025 0.000 1.357 394 L HN 0.311 nan 8.230 nan 0.000 0.535 395 A N -0.479 122.386 122.820 0.075 0.000 2.239 395 A HA 0.036 4.355 4.320 -0.002 0.000 0.209 395 A C 1.599 179.240 177.584 0.096 0.000 1.171 395 A CA 1.183 53.284 52.037 0.106 0.000 0.768 395 A CB -0.971 18.109 19.000 0.134 0.000 0.790 395 A HN 0.897 nan 8.150 nan 0.000 0.478 396 G N 0.361 109.213 108.800 0.087 0.000 2.648 396 G HA2 0.082 4.042 3.960 -0.002 0.000 0.217 396 G HA3 0.082 4.042 3.960 -0.002 0.000 0.217 396 G C -0.638 174.320 174.900 0.097 0.000 1.386 396 G CA 0.605 45.768 45.100 0.105 0.000 0.920 396 G HN 0.338 nan 8.290 nan 0.000 0.540 397 P HA -0.069 nan 4.420 nan 0.000 0.222 397 P C 1.737 179.024 177.300 -0.023 0.000 1.139 397 P CA 0.807 63.918 63.100 0.018 0.000 0.790 397 P CB -0.026 31.668 31.700 -0.010 0.000 0.757 398 L N -1.739 119.464 121.223 -0.033 0.000 2.084 398 L HA -0.046 4.293 4.340 -0.002 0.000 0.202 398 L C 2.248 179.037 176.870 -0.135 0.000 1.074 398 L CA 1.002 55.762 54.840 -0.133 0.000 0.757 398 L CB -0.797 41.216 42.059 -0.078 0.000 0.918 398 L HN -0.091 nan 8.230 nan 0.000 0.444 399 L N -0.314 120.895 121.223 -0.023 0.000 2.549 399 L HA -0.139 4.201 4.340 -0.002 0.000 0.229 399 L C 2.491 179.538 176.870 0.295 0.000 1.158 399 L CA 0.352 55.206 54.840 0.024 0.000 0.842 399 L CB -0.648 41.245 42.059 -0.276 0.000 0.952 399 L HN 0.264 nan 8.230 nan 0.000 0.452 400 A N 0.624 123.587 122.820 0.238 0.000 1.823 400 A HA -0.183 4.136 4.320 -0.002 0.000 0.214 400 A C 2.441 180.089 177.584 0.107 0.000 1.225 400 A CA 1.531 53.682 52.037 0.190 0.000 0.604 400 A CB -0.928 18.115 19.000 0.073 0.000 0.878 400 A HN 0.438 nan 8.150 nan 0.000 0.450 401 S N 0.167 115.861 115.700 -0.010 0.000 2.462 401 S HA -0.133 4.336 4.470 -0.002 0.000 0.243 401 S C 1.644 176.218 174.600 -0.044 0.000 1.003 401 S CA 1.651 59.816 58.200 -0.058 0.000 0.970 401 S CB -0.823 62.287 63.200 -0.149 0.000 0.762 401 S HN 0.439 nan 8.310 nan 0.000 0.510 402 L N -0.972 120.245 121.223 -0.011 0.000 2.116 402 L HA 0.224 4.563 4.340 -0.002 0.000 0.200 402 L C 2.310 179.269 176.870 0.149 0.000 1.084 402 L CA 0.979 55.852 54.840 0.055 0.000 0.766 402 L CB -1.091 41.027 42.059 0.098 0.000 0.930 402 L HN 0.203 nan 8.230 nan 0.000 0.453 403 F N 2.007 122.004 119.950 0.079 0.000 2.048 403 F HA -0.412 4.114 4.527 -0.002 0.000 0.296 403 F C 3.001 178.826 175.800 0.040 0.000 1.109 403 F CA 2.602 60.649 58.000 0.079 0.000 1.214 403 F CB -0.246 38.822 39.000 0.113 0.000 0.963 403 F HN 0.039 nan 8.300 nan 0.000 0.491 404 R N -0.052 120.598 120.500 0.249 0.000 2.117 404 R HA -0.213 4.126 4.340 -0.002 0.000 0.243 404 R C 1.586 177.921 176.300 0.057 0.000 1.143 404 R CA 2.054 58.231 56.100 0.130 0.000 0.968 404 R CB -0.597 29.755 30.300 0.087 0.000 0.863 404 R HN 0.260 nan 8.270 nan 0.000 0.444 405 M N 0.485 120.109 119.600 0.040 0.000 2.691 405 M HA 0.134 4.613 4.480 -0.002 0.000 0.227 405 M C 0.991 177.294 176.300 0.004 0.000 1.120 405 M CA 0.661 55.973 55.300 0.020 0.000 1.034 405 M CB 0.030 32.645 32.600 0.026 0.000 1.675 405 M HN 0.338 nan 8.290 nan 0.000 0.514 406 L N -3.297 117.909 121.223 -0.030 0.000 3.076 406 L HA 0.094 4.433 4.340 -0.002 0.000 0.271 406 L C 1.596 178.402 176.870 -0.107 0.000 1.152 406 L CA 0.076 54.873 54.840 -0.072 0.000 0.996 406 L CB 0.118 42.121 42.059 -0.093 0.000 1.453 406 L HN 0.058 nan 8.230 nan 0.000 0.571 407 F N 1.434 121.201 119.950 -0.306 0.000 2.179 407 F HA 0.046 4.572 4.527 -0.002 0.000 0.292 407 F C 2.486 178.165 175.800 -0.203 0.000 1.089 407 F CA 1.149 58.952 58.000 -0.327 0.000 1.295 407 F CB 0.046 38.806 39.000 -0.399 0.000 1.041 407 F HN -0.183 nan 8.300 nan 0.000 0.487 408 R N 0.260 120.731 120.500 -0.048 0.000 2.303 408 R HA -0.142 4.197 4.340 -0.002 0.000 0.225 408 R C 1.918 178.144 176.300 -0.124 0.000 1.114 408 R CA 1.097 57.144 56.100 -0.088 0.000 1.007 408 R CB -0.182 30.105 30.300 -0.021 0.000 0.861 408 R HN 0.326 nan 8.270 nan 0.000 0.471 409 K N -0.585 119.738 120.400 -0.129 0.000 2.166 409 K HA 0.033 4.352 4.320 -0.002 0.000 0.201 409 K C 1.921 178.432 176.600 -0.147 0.000 1.052 409 K CA 0.407 56.629 56.287 -0.108 0.000 0.969 409 K CB 0.068 32.524 32.500 -0.073 0.000 0.761 409 K HN -0.008 nan 8.250 nan 0.000 0.459 410 M N 1.036 120.482 119.600 -0.257 0.000 2.352 410 M HA -0.198 4.282 4.480 -0.002 0.000 0.260 410 M C 2.485 178.650 176.300 -0.224 0.000 1.068 410 M CA 2.355 57.465 55.300 -0.317 0.000 1.082 410 M CB -1.632 30.564 32.600 -0.674 0.000 1.262 410 M HN 0.273 nan 8.290 nan 0.000 0.444 411 T N -1.691 112.684 114.554 -0.298 0.000 3.077 411 T HA -0.114 4.235 4.350 -0.002 0.000 0.269 411 T C 1.790 176.501 174.700 0.018 0.000 1.146 411 T CA 0.990 63.046 62.100 -0.073 0.000 1.091 411 T CB -0.118 68.713 68.868 -0.062 0.000 0.892 411 T HN 0.413 nan 8.240 nan 0.000 0.533 412 R N 0.489 120.971 120.500 -0.030 0.000 2.123 412 R HA 0.115 4.454 4.340 -0.002 0.000 0.209 412 R C 1.936 178.279 176.300 0.071 0.000 1.078 412 R CA 0.938 57.039 56.100 0.003 0.000 1.028 412 R CB -0.105 30.166 30.300 -0.048 0.000 0.939 412 R HN 0.406 nan 8.270 nan 0.000 0.463 413 D N 0.894 121.311 120.400 0.029 0.000 2.144 413 D HA -0.102 4.537 4.640 -0.002 0.000 0.199 413 D C 1.966 178.323 176.300 0.094 0.000 0.984 413 D CA 0.950 54.979 54.000 0.049 0.000 0.834 413 D CB -0.103 40.700 40.800 0.006 0.000 0.955 413 D HN -0.026 nan 8.370 nan 0.000 0.465 414 V N 0.483 120.445 119.914 0.081 0.000 2.379 414 V HA -0.219 3.900 4.120 -0.002 0.000 0.245 414 V C 2.185 178.392 176.094 0.188 0.000 1.044 414 V CA 1.011 63.371 62.300 0.100 0.000 1.036 414 V CB -0.645 31.204 31.823 0.044 0.000 0.664 414 V HN 0.161 nan 8.190 nan 0.000 0.453 415 Y N 1.686 122.024 120.300 0.063 0.000 2.193 415 Y HA -0.308 4.241 4.550 -0.002 0.000 0.285 415 Y C 2.442 178.383 175.900 0.068 0.000 1.166 415 Y CA 2.021 60.158 58.100 0.062 0.000 1.181 415 Y CB -0.086 38.395 38.460 0.036 0.000 0.976 415 Y HN 0.213 nan 8.280 nan 0.000 0.520 416 K N -1.023 119.555 120.400 0.296 0.000 2.148 416 K HA -0.229 4.091 4.320 -0.002 0.000 0.204 416 K C 1.912 178.562 176.600 0.084 0.000 1.050 416 K CA 1.599 57.997 56.287 0.185 0.000 0.942 416 K CB -0.613 31.989 32.500 0.169 0.000 0.724 416 K HN 0.499 nan 8.250 nan 0.000 0.446 417 Y N 1.711 122.011 120.300 0.000 0.000 2.224 417 Y HA -0.200 4.349 4.550 -0.002 0.000 0.289 417 Y C 2.091 177.957 175.900 -0.056 0.000 1.146 417 Y CA 1.331 59.420 58.100 -0.018 0.000 1.182 417 Y CB 0.010 38.468 38.460 -0.003 0.000 0.983 417 Y HN -0.085 nan 8.280 nan 0.000 0.524 418 M N 0.396 119.988 119.600 -0.013 0.000 2.117 418 M HA -0.253 4.226 4.480 -0.002 0.000 0.262 418 M C 2.028 178.182 176.300 -0.243 0.000 1.065 418 M CA 1.710 56.923 55.300 -0.145 0.000 1.114 418 M CB -1.299 31.210 32.600 -0.152 0.000 1.361 418 M HN 0.458 nan 8.290 nan 0.000 0.408 419 Q N 0.260 119.918 119.800 -0.238 0.000 2.096 419 Q HA -0.170 4.169 4.340 -0.002 0.000 0.204 419 Q C 2.044 177.942 176.000 -0.170 0.000 0.982 419 Q CA 1.390 57.081 55.803 -0.186 0.000 0.850 419 Q CB -0.235 28.430 28.738 -0.122 0.000 0.901 419 Q HN 0.536 nan 8.270 nan 0.000 0.422 420 K N -0.242 120.038 120.400 -0.199 0.000 2.217 420 K HA -0.066 4.253 4.320 -0.002 0.000 0.202 420 K C 2.116 178.557 176.600 -0.265 0.000 1.051 420 K CA 0.910 57.075 56.287 -0.203 0.000 0.952 420 K CB 0.027 32.411 32.500 -0.194 0.000 0.736 420 K HN 0.204 nan 8.250 nan 0.000 0.453 421 C N -0.089 118.980 119.300 -0.385 0.000 2.489 421 C HA -0.034 4.425 4.460 -0.002 0.000 0.279 421 C C 2.502 177.365 174.990 -0.211 0.000 1.266 421 C CA 0.253 59.061 59.018 -0.350 0.000 1.707 421 C CB -0.383 27.090 27.740 -0.444 0.000 2.059 421 C HN 0.234 nan 8.230 nan 0.000 0.481 422 V N 1.026 120.826 119.914 -0.191 0.000 2.688 422 V HA -0.131 3.988 4.120 -0.002 0.000 0.256 422 V C 1.120 177.138 176.094 -0.127 0.000 1.084 422 V CA 1.529 63.739 62.300 -0.150 0.000 1.103 422 V CB -0.576 31.165 31.823 -0.136 0.000 0.688 422 V HN 0.645 nan 8.190 nan 0.000 0.480 423 E N -0.140 119.985 120.200 -0.125 0.000 2.133 423 E HA 0.313 4.662 4.350 -0.002 0.000 0.274 423 E C 0.998 177.543 176.600 -0.093 0.000 0.930 423 E CA 0.739 57.081 56.400 -0.097 0.000 0.770 423 E CB 1.150 30.800 29.700 -0.083 0.000 1.104 423 E HN 0.423 nan 8.360 nan 0.000 0.403 424 T N 2.082 116.590 114.554 -0.077 0.000 11.675 424 T HA -0.279 4.070 4.350 -0.002 0.000 0.407 424 T C 0.525 175.182 174.700 -0.072 0.000 1.535 424 T CA 1.674 63.734 62.100 -0.066 0.000 2.503 424 T CB -1.422 67.411 68.868 -0.059 0.000 2.785 424 T HN 0.554 nan 8.240 nan 0.000 0.895 425 N N 1.024 119.668 118.700 -0.094 0.000 1.746 425 N HA 0.657 5.396 4.740 -0.002 0.000 0.227 425 N C 1.441 176.888 175.510 -0.105 0.000 1.154 425 N CA 0.535 53.528 53.050 -0.095 0.000 1.033 425 N CB -0.008 38.405 38.487 -0.123 0.000 1.387 425 N HN 0.735 nan 8.380 nan 0.000 0.443 426 R N -1.053 119.372 120.500 -0.125 0.000 3.348 426 R HA -0.180 4.159 4.340 -0.002 0.000 0.071 426 R C -0.314 175.916 176.300 -0.116 0.000 0.796 426 R CA 0.665 56.676 56.100 -0.150 0.000 1.262 426 R CB -1.296 28.901 30.300 -0.172 0.000 0.744 426 R HN 0.513 nan 8.270 nan 0.000 0.643 427 E N -1.449 118.672 120.200 -0.131 0.000 5.235 427 E HA -0.342 4.007 4.350 -0.002 0.000 0.181 427 E C 0.169 176.821 176.600 0.086 0.000 1.139 427 E CA 2.496 58.884 56.400 -0.020 0.000 1.955 427 E CB -0.455 29.280 29.700 0.058 0.000 1.828 427 E HN 0.407 nan 8.360 nan 0.000 0.385 428 F N -2.817 117.136 119.950 0.004 0.000 1.999 428 F HA -0.160 4.366 4.527 -0.002 0.000 0.301 428 F C 0.777 176.600 175.800 0.039 0.000 1.313 428 F CA 0.437 58.444 58.000 0.011 0.000 1.052 428 F CB -0.814 38.192 39.000 0.010 0.000 2.661 428 F HN 0.078 nan 8.300 nan 0.000 0.109 429 N N -0.246 118.641 118.700 0.312 0.000 3.687 429 N HA 0.702 5.441 4.740 -0.002 0.000 0.348 429 N C -1.605 173.996 175.510 0.151 0.000 1.430 429 N CA 0.051 53.233 53.050 0.221 0.000 0.697 429 N CB 2.257 40.842 38.487 0.163 0.000 3.045 429 N HN 0.368 nan 8.380 nan 0.000 0.516 430 L N -0.031 121.241 121.223 0.082 0.000 2.353 430 L HA -0.142 4.197 4.340 -0.002 0.000 0.334 430 L C 0.419 177.293 176.870 0.007 0.000 1.057 430 L CA 0.160 55.026 54.840 0.043 0.000 1.152 430 L CB -0.216 41.879 42.059 0.059 0.000 0.578 430 L HN 0.917 nan 8.230 nan 0.000 0.125 431 T N -0.719 113.841 114.554 0.009 0.000 3.865 431 T HA 0.076 4.425 4.350 -0.002 0.000 0.259 431 T C 1.412 176.097 174.700 -0.024 0.000 1.143 431 T CA 0.838 62.940 62.100 0.002 0.000 0.975 431 T CB -0.670 68.223 68.868 0.041 0.000 1.058 431 T HN 0.394 nan 8.240 nan 0.000 0.599 432 L N -0.722 120.471 121.223 -0.050 0.000 2.217 432 L HA 0.229 4.568 4.340 -0.002 0.000 0.211 432 L C 2.543 179.299 176.870 -0.189 0.000 1.107 432 L CA 0.878 55.691 54.840 -0.046 0.000 0.783 432 L CB -0.651 41.455 42.059 0.079 0.000 0.919 432 L HN 0.535 nan 8.230 nan 0.000 0.442 433 A N -0.623 121.945 122.820 -0.420 0.000 3.110 433 A HA 0.327 4.646 4.320 -0.002 0.000 0.206 433 A C 0.924 178.378 177.584 -0.217 0.000 2.150 433 A CA 0.102 51.830 52.037 -0.516 0.000 1.708 433 A CB -0.262 18.082 19.000 -1.094 0.000 1.207 433 A HN -0.131 nan 8.150 nan 0.000 0.367 434 V N 1.466 121.266 119.914 -0.190 0.000 5.771 434 V HA -0.204 3.915 4.120 -0.002 0.000 0.180 434 V C 0.591 176.674 176.094 -0.019 0.000 0.710 434 V CA 1.353 63.611 62.300 -0.070 0.000 0.522 434 V CB -2.101 29.715 31.823 -0.012 0.000 0.231 434 V HN 0.679 nan 8.190 nan 0.000 0.424 435 K N 1.483 121.864 120.400 -0.030 0.000 2.543 435 K HA -0.031 4.288 4.320 -0.002 0.000 0.279 435 K C 1.400 178.032 176.600 0.054 0.000 1.001 435 K CA 0.860 57.153 56.287 0.010 0.000 1.088 435 K CB 0.476 32.976 32.500 -0.001 0.000 0.863 435 K HN 0.584 nan 8.250 nan 0.000 0.488 436 S N 2.859 118.629 115.700 0.117 0.000 2.362 436 S HA -0.101 4.368 4.470 -0.002 0.000 0.221 436 S C 0.888 175.587 174.600 0.166 0.000 1.032 436 S CA 0.734 59.080 58.200 0.245 0.000 0.973 436 S CB -0.031 63.322 63.200 0.254 0.000 0.849 436 S HN 0.712 nan 8.310 nan 0.000 0.465 437 N N 2.186 120.945 118.700 0.098 0.000 3.178 437 N HA 0.085 4.824 4.740 -0.002 0.000 0.300 437 N C 0.633 176.165 175.510 0.037 0.000 1.242 437 N CA -0.039 53.054 53.050 0.071 0.000 1.192 437 N CB -0.266 38.254 38.487 0.055 0.000 1.463 437 N HN 0.614 nan 8.380 nan 0.000 0.539 438 I N -0.716 119.865 120.570 0.019 0.000 4.338 438 I HA 0.152 4.321 4.170 -0.002 0.000 0.315 438 I C 0.948 177.052 176.117 -0.022 0.000 1.262 438 I CA 0.635 61.926 61.300 -0.015 0.000 1.298 438 I CB -0.256 37.714 38.000 -0.050 0.000 1.257 438 I HN 0.210 nan 8.210 nan 0.000 0.444 439 I N -1.894 118.663 120.570 -0.022 0.000 5.046 439 I HA 0.171 4.340 4.170 -0.002 0.000 0.341 439 I C 2.046 178.174 176.117 0.017 0.000 1.257 439 I CA 0.673 61.961 61.300 -0.020 0.000 1.421 439 I CB 0.284 38.234 38.000 -0.083 0.000 1.495 439 I HN -0.016 nan 8.210 nan 0.000 0.518 440 T N 2.378 116.951 114.554 0.032 0.000 2.595 440 T HA -0.149 4.200 4.350 -0.002 0.000 0.264 440 T C 1.636 176.388 174.700 0.087 0.000 1.058 440 T CA 2.909 65.052 62.100 0.071 0.000 1.166 440 T CB -0.311 68.633 68.868 0.126 0.000 0.863 440 T HN 0.353 nan 8.240 nan 0.000 0.415 441 N N 0.553 119.314 118.700 0.101 0.000 2.396 441 N HA 0.071 4.810 4.740 -0.002 0.000 0.180 441 N C 1.744 177.344 175.510 0.149 0.000 1.028 441 N CA 0.957 54.095 53.050 0.146 0.000 0.893 441 N CB -0.628 37.929 38.487 0.116 0.000 0.967 441 N HN 0.533 nan 8.380 nan 0.000 0.440 442 G N -0.757 108.095 108.800 0.087 0.000 2.956 442 G HA2 0.086 4.045 3.960 -0.002 0.000 0.207 442 G HA3 0.086 4.045 3.960 -0.002 0.000 0.207 442 G C 1.161 176.107 174.900 0.077 0.000 1.162 442 G CA 0.081 45.225 45.100 0.073 0.000 0.796 442 G HN 0.229 nan 8.290 nan 0.000 0.527 443 L N -1.634 119.633 121.223 0.073 0.000 2.694 443 L HA 0.248 4.587 4.340 -0.002 0.000 0.228 443 L C 2.791 179.664 176.870 0.005 0.000 1.048 443 L CA -0.204 54.661 54.840 0.042 0.000 0.887 443 L CB 0.004 42.076 42.059 0.022 0.000 1.265 443 L HN 0.020 nan 8.230 nan 0.000 0.492 444 R N 0.292 120.803 120.500 0.019 0.000 2.115 444 R HA -0.205 4.134 4.340 -0.002 0.000 0.239 444 R C 1.093 177.282 176.300 -0.186 0.000 1.133 444 R CA 1.975 58.019 56.100 -0.094 0.000 0.935 444 R CB -0.391 29.866 30.300 -0.072 0.000 0.853 444 R HN 0.256 nan 8.270 nan 0.000 0.433 445 Y N -0.130 120.157 120.300 -0.021 0.000 2.583 445 Y HA 0.103 4.652 4.550 -0.002 0.000 0.294 445 Y C 1.510 177.372 175.900 -0.062 0.000 1.170 445 Y CA 0.008 58.087 58.100 -0.034 0.000 1.265 445 Y CB 0.356 38.805 38.460 -0.018 0.000 1.119 445 Y HN 0.126 nan 8.280 nan 0.000 0.522 446 S N -2.241 113.472 115.700 0.022 0.000 2.554 446 S HA 0.113 4.582 4.470 -0.002 0.000 0.227 446 S C 1.373 175.850 174.600 -0.205 0.000 1.050 446 S CA -0.175 57.990 58.200 -0.058 0.000 0.927 446 S CB -0.097 63.132 63.200 0.049 0.000 0.859 446 S HN 0.458 nan 8.310 nan 0.000 0.494 447 L N 1.021 122.153 121.223 -0.151 0.000 2.316 447 L HA 0.393 4.732 4.340 -0.002 0.000 0.207 447 L C 2.669 179.437 176.870 -0.170 0.000 1.070 447 L CA 1.000 55.730 54.840 -0.182 0.000 0.820 447 L CB -0.445 41.511 42.059 -0.172 0.000 0.992 447 L HN 0.427 nan 8.230 nan 0.000 0.466 448 A N -0.950 121.777 122.820 -0.156 0.000 2.019 448 A HA -0.121 4.198 4.320 -0.002 0.000 0.219 448 A C 1.499 179.012 177.584 -0.119 0.000 1.164 448 A CA 1.886 53.836 52.037 -0.144 0.000 0.644 448 A CB -0.479 18.388 19.000 -0.221 0.000 0.805 448 A HN 0.443 nan 8.150 nan 0.000 0.449 449 T N -3.553 110.917 114.554 -0.140 0.000 2.905 449 T HA 0.510 4.859 4.350 -0.002 0.000 0.283 449 T C 0.956 175.504 174.700 -0.254 0.000 1.031 449 T CA 0.157 62.174 62.100 -0.139 0.000 1.002 449 T CB 1.542 70.361 68.868 -0.083 0.000 1.200 449 T HN 0.228 nan 8.240 nan 0.000 0.560 450 G N 1.512 110.172 108.800 -0.235 0.000 3.181 450 G HA2 0.141 4.100 3.960 -0.002 0.000 0.219 450 G HA3 0.141 4.100 3.960 -0.002 0.000 0.219 450 G C 0.420 175.024 174.900 -0.494 0.000 1.182 450 G CA -0.225 44.677 45.100 -0.329 0.000 0.791 450 G HN 0.525 nan 8.290 nan 0.000 0.537 451 N N -0.370 118.051 118.700 -0.465 0.000 2.447 451 N HA 0.371 5.110 4.740 -0.002 0.000 0.271 451 N C -0.877 174.264 175.510 -0.615 0.000 1.226 451 N CA -0.526 52.290 53.050 -0.390 0.000 0.980 451 N CB 0.853 39.251 38.487 -0.149 0.000 1.206 451 N HN 0.278 nan 8.380 nan 0.000 0.558 452 W N -0.651 120.662 121.300 0.022 0.000 1.506 452 W HA 0.460 5.119 4.660 -0.002 0.000 0.296 452 W C 0.279 176.808 176.519 0.018 0.000 0.847 452 W CA -0.814 56.543 57.345 0.020 0.000 2.203 452 W CB 0.600 30.072 29.460 0.019 0.000 2.219 452 W HN 0.723 nan 8.180 nan 0.000 0.464 453 G N 1.221 110.131 108.800 0.184 0.000 2.370 453 G HA2 -0.135 3.824 3.960 -0.002 0.000 0.225 453 G HA3 -0.135 3.824 3.960 -0.002 0.000 0.225 453 G C -1.116 173.824 174.900 0.068 0.000 1.109 453 G CA -0.981 44.192 45.100 0.122 0.000 0.871 453 G HN 0.215 nan 8.290 nan 0.000 0.498 454 D N -0.230 120.201 120.400 0.052 0.000 2.340 454 D HA 0.479 5.118 4.640 -0.002 0.000 0.251 454 D C 1.505 177.820 176.300 0.026 0.000 1.080 454 D CA -0.446 53.573 54.000 0.031 0.000 0.971 454 D CB 0.730 41.544 40.800 0.024 0.000 1.137 454 D HN 0.240 nan 8.370 nan 0.000 0.475 455 Q N 1.449 121.242 119.800 -0.011 0.000 2.247 455 Q HA 0.114 4.453 4.340 -0.002 0.000 0.234 455 Q C 0.161 176.156 176.000 -0.008 0.000 0.899 455 Q CA -0.442 55.351 55.803 -0.017 0.000 0.951 455 Q CB 0.251 28.957 28.738 -0.053 0.000 1.057 455 Q HN 0.050 nan 8.270 nan 0.000 0.444 456 K N 1.335 121.738 120.400 0.005 0.000 2.251 456 K HA 0.005 4.324 4.320 -0.002 0.000 0.247 456 K C 1.399 178.006 176.600 0.011 0.000 1.098 456 K CA 0.040 56.332 56.287 0.008 0.000 0.800 456 K CB 0.273 32.783 32.500 0.018 0.000 1.086 456 K HN 0.258 nan 8.250 nan 0.000 0.520 457 R N 0.108 120.615 120.500 0.013 0.000 2.148 457 R HA -0.049 4.290 4.340 -0.002 0.000 0.223 457 R C 0.731 177.044 176.300 0.021 0.000 1.088 457 R CA 0.273 56.381 56.100 0.014 0.000 0.985 457 R CB -0.642 29.665 30.300 0.012 0.000 0.880 457 R HN 0.483 nan 8.270 nan 0.000 0.451 458 S N 1.863 117.581 115.700 0.030 0.000 3.052 458 S HA -0.123 4.347 4.470 -0.002 0.000 0.346 458 S C 1.260 175.884 174.600 0.039 0.000 0.885 458 S CA -0.162 58.064 58.200 0.044 0.000 2.087 458 S CB -0.303 62.937 63.200 0.067 0.000 1.245 458 S HN 0.138 nan 8.310 nan 0.000 0.677 459 M N 4.114 123.733 119.600 0.032 0.000 2.165 459 M HA 0.099 4.578 4.480 -0.002 0.000 0.246 459 M C 0.711 177.030 176.300 0.032 0.000 1.180 459 M CA 1.266 56.581 55.300 0.026 0.000 1.095 459 M CB -0.805 31.808 32.600 0.021 0.000 1.151 459 M HN 0.325 nan 8.290 nan 0.000 0.447 460 V N 2.984 122.919 119.914 0.035 0.000 2.304 460 V HA -0.044 4.075 4.120 -0.002 0.000 0.239 460 V C 0.085 176.217 176.094 0.063 0.000 1.201 460 V CA 0.210 62.535 62.300 0.041 0.000 1.254 460 V CB -1.776 30.068 31.823 0.036 0.000 1.335 460 V HN 0.434 nan 8.190 nan 0.000 0.491 461 N N 5.164 123.912 118.700 0.081 0.000 2.914 461 N HA 0.208 4.947 4.740 -0.002 0.000 0.304 461 N C 0.194 175.827 175.510 0.205 0.000 1.727 461 N CA -0.723 52.416 53.050 0.147 0.000 0.986 461 N CB 0.141 38.737 38.487 0.182 0.000 1.297 461 N HN 0.756 nan 8.380 nan 0.000 0.490 462 R N -0.973 119.619 120.500 0.153 0.000 1.612 462 R HA -0.157 4.182 4.340 -0.002 0.000 0.354 462 R C -1.206 175.175 176.300 0.134 0.000 1.294 462 R CA 0.147 56.344 56.100 0.162 0.000 1.316 462 R CB -1.845 28.578 30.300 0.206 0.000 3.635 462 R HN -0.069 nan 8.270 nan 0.000 0.468 463 V N 4.125 124.078 119.914 0.065 0.000 2.655 463 V HA 0.254 4.373 4.120 -0.002 0.000 0.300 463 V C 1.922 178.025 176.094 0.015 0.000 1.044 463 V CA 0.826 63.126 62.300 0.001 0.000 1.095 463 V CB 1.083 32.908 31.823 0.005 0.000 0.952 463 V HN 0.872 nan 8.190 nan 0.000 0.485 464 G N 2.713 111.459 108.800 -0.089 0.000 2.732 464 G HA2 0.312 4.271 3.960 -0.002 0.000 0.244 464 G HA3 0.312 4.271 3.960 -0.002 0.000 0.244 464 G C 0.052 174.968 174.900 0.027 0.000 1.226 464 G CA -0.038 45.029 45.100 -0.055 0.000 0.860 464 G HN 1.326 nan 8.290 nan 0.000 0.583 465 V N -0.237 119.714 119.914 0.061 0.000 5.999 465 V HA -0.175 3.944 4.120 -0.002 0.000 0.275 465 V C 0.954 177.075 176.094 0.046 0.000 0.606 465 V CA 2.197 64.564 62.300 0.112 0.000 0.836 465 V CB -2.155 29.840 31.823 0.285 0.000 0.869 465 V HN 2.199 nan 8.190 nan 0.000 0.497 466 S N -0.945 114.775 115.700 0.034 0.000 4.530 466 S HA -0.024 4.445 4.470 -0.002 0.000 0.055 466 S C 0.098 174.725 174.600 0.045 0.000 0.852 466 S CA 0.062 58.270 58.200 0.013 0.000 1.039 466 S CB -0.527 62.608 63.200 -0.107 0.000 0.509 466 S HN 0.925 nan 8.310 nan 0.000 0.791 467 Q N 2.747 122.591 119.800 0.073 0.000 2.492 467 Q HA 0.202 4.541 4.340 -0.002 0.000 0.366 467 Q C 0.989 177.068 176.000 0.131 0.000 1.172 467 Q CA 0.812 56.689 55.803 0.123 0.000 1.089 467 Q CB 0.215 29.093 28.738 0.233 0.000 1.174 467 Q HN 0.781 nan 8.270 nan 0.000 0.421 468 V N 0.667 120.608 119.914 0.045 0.000 3.432 468 V HA -0.055 4.064 4.120 -0.002 0.000 0.304 468 V C 1.222 177.254 176.094 -0.103 0.000 1.107 468 V CA -0.105 62.181 62.300 -0.023 0.000 1.153 468 V CB 0.260 32.040 31.823 -0.071 0.000 1.072 468 V HN 0.924 nan 8.190 nan 0.000 0.485 469 L N 0.742 121.861 121.223 -0.173 0.000 2.017 469 L HA -0.036 4.303 4.340 -0.002 0.000 0.208 469 L C 1.413 177.965 176.870 -0.530 0.000 1.073 469 L CA 2.184 56.870 54.840 -0.255 0.000 0.745 469 L CB -0.325 41.561 42.059 -0.288 0.000 0.894 469 L HN 1.181 nan 8.230 nan 0.000 0.432 470 N N 0.022 118.399 118.700 -0.538 0.000 3.038 470 N HA -0.144 4.595 4.740 -0.002 0.000 0.247 470 N C -0.343 174.829 175.510 -0.564 0.000 1.106 470 N CA 0.301 52.977 53.050 -0.623 0.000 0.672 470 N CB -0.881 37.195 38.487 -0.685 0.000 1.022 470 N HN 0.220 nan 8.380 nan 0.000 0.565 471 R N 0.669 120.788 120.500 -0.635 0.000 4.031 471 R HA 0.163 4.502 4.340 -0.002 0.000 0.269 471 R C 0.605 176.555 176.300 -0.583 0.000 1.668 471 R CA -0.105 55.694 56.100 -0.502 0.000 1.432 471 R CB -0.124 29.898 30.300 -0.463 0.000 1.374 471 R HN 0.448 nan 8.270 nan 0.000 0.681 472 Y N -0.382 119.772 120.300 -0.243 0.000 2.114 472 Y HA -0.062 4.487 4.550 -0.001 0.000 0.284 472 Y C 1.208 177.039 175.900 -0.114 0.000 1.119 472 Y CA 0.792 58.773 58.100 -0.198 0.000 1.108 472 Y CB 0.391 38.788 38.460 -0.105 0.000 0.995 472 Y HN -0.051 nan 8.280 nan 0.000 0.491 473 T N -0.032 114.611 114.554 0.148 0.000 2.863 473 T HA 0.140 4.489 4.350 -0.002 0.000 0.285 473 T C 0.200 175.015 174.700 0.190 0.000 1.009 473 T CA -0.699 61.505 62.100 0.175 0.000 0.989 473 T CB 1.626 70.601 68.868 0.177 0.000 1.004 473 T HN 0.074 nan 8.240 nan 0.000 0.455 474 F N 3.139 123.147 119.950 0.098 0.000 2.045 474 F HA -0.220 4.306 4.527 -0.002 0.000 0.297 474 F C 2.457 178.320 175.800 0.106 0.000 1.114 474 F CA 2.470 60.520 58.000 0.083 0.000 1.207 474 F CB -0.644 38.364 39.000 0.014 0.000 0.964 474 F HN 0.730 nan 8.300 nan 0.000 0.486 475 A N -0.670 122.322 122.820 0.287 0.000 1.929 475 A HA -0.374 3.945 4.320 -0.002 0.000 0.221 475 A C 2.364 179.983 177.584 0.059 0.000 1.211 475 A CA 2.765 54.933 52.037 0.218 0.000 0.657 475 A CB -1.736 17.466 19.000 0.336 0.000 0.827 475 A HN 0.548 nan 8.150 nan 0.000 0.462 476 S N -1.562 114.181 115.700 0.072 0.000 2.351 476 S HA -0.187 4.282 4.470 -0.002 0.000 0.220 476 S C 2.090 176.679 174.600 -0.019 0.000 1.035 476 S CA 2.369 60.600 58.200 0.053 0.000 1.031 476 S CB -0.894 62.364 63.200 0.095 0.000 0.928 476 S HN 0.659 nan 8.310 nan 0.000 0.433 477 T N 3.424 117.910 114.554 -0.114 0.000 2.624 477 T HA -0.209 4.140 4.350 -0.002 0.000 0.266 477 T C 1.701 176.332 174.700 -0.115 0.000 1.050 477 T CA 2.119 64.115 62.100 -0.172 0.000 1.163 477 T CB -0.783 67.905 68.868 -0.300 0.000 0.861 477 T HN 0.402 nan 8.240 nan 0.000 0.443 478 L N 0.661 121.769 121.223 -0.191 0.000 1.994 478 L HA -0.074 4.265 4.340 -0.002 0.000 0.208 478 L C 2.830 179.703 176.870 0.004 0.000 1.071 478 L CA 1.498 56.279 54.840 -0.100 0.000 0.745 478 L CB -0.886 41.099 42.059 -0.123 0.000 0.892 478 L HN 0.277 nan 8.230 nan 0.000 0.431 479 S N -1.473 114.243 115.700 0.027 0.000 2.500 479 S HA -0.222 4.247 4.470 -0.002 0.000 0.239 479 S C 1.934 176.589 174.600 0.091 0.000 0.989 479 S CA 0.900 59.136 58.200 0.060 0.000 0.951 479 S CB -0.486 62.754 63.200 0.067 0.000 0.759 479 S HN 0.446 nan 8.310 nan 0.000 0.523 480 H N 0.729 119.793 119.070 -0.011 0.000 2.343 480 H HA 0.143 4.698 4.556 -0.002 0.000 0.303 480 H C 1.307 176.639 175.328 0.006 0.000 1.068 480 H CA 1.298 57.343 56.048 -0.004 0.000 1.359 480 H CB -0.130 29.617 29.762 -0.025 0.000 1.402 480 H HN 0.373 nan 8.280 nan 0.000 0.515 481 L N 1.332 122.582 121.223 0.044 0.000 2.885 481 L HA -0.020 4.319 4.340 -0.002 0.000 0.258 481 L C 0.379 177.254 176.870 0.007 0.000 1.146 481 L CA 0.706 55.558 54.840 0.020 0.000 0.922 481 L CB -0.151 41.937 42.059 0.048 0.000 1.138 481 L HN 0.164 nan 8.230 nan 0.000 0.431 482 R N 0.063 120.556 120.500 -0.012 0.000 2.522 482 R HA 0.312 4.651 4.340 -0.002 0.000 0.373 482 R C -0.294 176.001 176.300 -0.009 0.000 1.062 482 R CA -0.238 55.866 56.100 0.007 0.000 1.167 482 R CB 0.810 31.133 30.300 0.037 0.000 1.378 482 R HN 0.221 nan 8.270 nan 0.000 0.662 483 R N 0.256 120.723 120.500 -0.055 0.000 2.832 483 R HA 0.527 4.866 4.340 -0.002 0.000 0.271 483 R C -0.515 175.769 176.300 -0.026 0.000 0.996 483 R CA -0.531 55.537 56.100 -0.054 0.000 0.977 483 R CB 2.392 32.610 30.300 -0.137 0.000 1.168 483 R HN -0.088 nan 8.270 nan 0.000 0.482 484 T N 0.333 114.889 114.554 0.003 0.000 3.172 484 T HA 0.205 4.554 4.350 -0.002 0.000 0.320 484 T C -0.241 174.480 174.700 0.036 0.000 1.085 484 T CA -0.569 61.545 62.100 0.023 0.000 1.052 484 T CB 1.126 70.017 68.868 0.038 0.000 1.107 484 T HN 0.709 nan 8.240 nan 0.000 0.458 485 N N 2.141 120.864 118.700 0.038 0.000 2.052 485 N HA 0.108 4.847 4.740 -0.002 0.000 0.213 485 N C 0.178 175.719 175.510 0.052 0.000 1.207 485 N CA 1.398 54.475 53.050 0.045 0.000 0.952 485 N CB 0.123 38.643 38.487 0.054 0.000 0.987 485 N HN 0.713 nan 8.380 nan 0.000 0.392 486 T N -0.578 114.007 114.554 0.051 0.000 5.409 486 T HA 0.073 4.422 4.350 -0.002 0.000 0.193 486 T C -3.014 171.713 174.700 0.045 0.000 0.805 486 T CA -0.787 61.345 62.100 0.053 0.000 0.400 486 T CB -0.621 68.285 68.868 0.062 0.000 0.473 486 T HN 0.093 nan 8.240 nan 0.000 0.197 487 P HA 0.275 nan 4.420 nan 0.000 0.250 487 P C 0.148 177.465 177.300 0.028 0.000 1.161 487 P CA 0.586 63.709 63.100 0.039 0.000 0.863 487 P CB -0.307 31.417 31.700 0.041 0.000 0.827 488 I N 0.457 121.045 120.570 0.030 0.000 3.767 488 I HA 0.849 5.018 4.170 -0.002 0.000 0.276 488 I C 1.138 177.276 176.117 0.035 0.000 1.128 488 I CA -1.077 60.243 61.300 0.035 0.000 1.212 488 I CB 0.780 38.800 38.000 0.033 0.000 1.369 488 I HN 0.427 nan 8.210 nan 0.000 0.459 489 G N 1.653 110.472 108.800 0.032 0.000 2.456 489 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.204 489 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.204 489 G C -0.456 174.461 174.900 0.028 0.000 1.193 489 G CA -0.187 44.931 45.100 0.031 0.000 1.220 489 G HN 0.988 nan 8.290 nan 0.000 0.565 490 R N 0.871 121.388 120.500 0.029 0.000 3.247 490 R HA 0.488 4.827 4.340 -0.002 0.000 0.212 490 R C -0.298 176.019 176.300 0.029 0.000 1.604 490 R CA 0.794 56.910 56.100 0.027 0.000 1.279 490 R CB -0.453 29.863 30.300 0.027 0.000 1.277 490 R HN 0.644 nan 8.270 nan 0.000 0.669 491 D N 0.564 120.981 120.400 0.030 0.000 3.422 491 D HA 0.093 4.732 4.640 -0.002 0.000 0.277 491 D C 0.095 176.415 176.300 0.034 0.000 1.625 491 D CA 0.006 54.026 54.000 0.035 0.000 0.811 491 D CB -0.251 40.573 40.800 0.039 0.000 1.454 491 D HN 0.465 nan 8.370 nan 0.000 0.573 492 G N 0.863 109.680 108.800 0.027 0.000 3.535 492 G HA2 0.297 4.256 3.960 -0.002 0.000 0.169 492 G HA3 0.297 4.256 3.960 -0.002 0.000 0.169 492 G C -0.957 173.953 174.900 0.018 0.000 1.241 492 G CA -0.615 44.499 45.100 0.024 0.000 1.334 492 G HN 0.138 nan 8.290 nan 0.000 0.717 493 K N 0.834 121.243 120.400 0.015 0.000 2.724 493 K HA 0.593 4.912 4.320 -0.002 0.000 0.198 493 K C -1.333 175.274 176.600 0.012 0.000 1.099 493 K CA -0.479 55.818 56.287 0.016 0.000 1.025 493 K CB 1.338 33.847 32.500 0.015 0.000 1.509 493 K HN 0.175 nan 8.250 nan 0.000 0.564 494 L N 2.015 123.245 121.223 0.012 0.000 2.298 494 L HA 0.532 4.871 4.340 -0.002 0.000 0.284 494 L C -0.134 176.741 176.870 0.009 0.000 1.013 494 L CA 0.296 55.141 54.840 0.008 0.000 0.824 494 L CB 0.975 43.037 42.059 0.006 0.000 1.221 494 L HN 0.763 nan 8.230 nan 0.000 0.418 495 A N 4.242 127.066 122.820 0.007 0.000 6.759 495 A HA -0.155 4.164 4.320 -0.002 0.000 0.308 495 A C 0.301 177.893 177.584 0.012 0.000 2.086 495 A CA 1.020 53.061 52.037 0.006 0.000 1.123 495 A CB -0.835 18.167 19.000 0.003 0.000 1.078 495 A HN 0.892 nan 8.150 nan 0.000 0.457 496 K N -1.926 118.481 120.400 0.011 0.000 6.244 496 K HA -0.152 4.167 4.320 -0.002 0.000 0.672 496 K C -1.929 174.689 176.600 0.031 0.000 1.917 496 K CA 0.841 57.139 56.287 0.019 0.000 1.561 496 K CB -0.467 32.047 32.500 0.023 0.000 1.816 496 K HN 0.700 nan 8.250 nan 0.000 0.310 497 P HA -0.065 nan 4.420 nan 0.000 0.220 497 P C 0.762 178.081 177.300 0.032 0.000 1.154 497 P CA 0.422 63.550 63.100 0.046 0.000 0.837 497 P CB 0.167 31.920 31.700 0.088 0.000 0.815 498 R N -0.053 120.461 120.500 0.023 0.000 2.324 498 R HA -0.264 4.075 4.340 -0.002 0.000 0.178 498 R C 1.043 177.327 176.300 -0.026 0.000 0.964 498 R CA 1.832 57.930 56.100 -0.003 0.000 0.234 498 R CB -2.288 28.010 30.300 -0.005 0.000 0.616 498 R HN 0.390 nan 8.270 nan 0.000 0.229 499 Q N 0.952 120.742 119.800 -0.017 0.000 2.437 499 Q HA -0.071 4.268 4.340 -0.002 0.000 0.363 499 Q C -0.149 175.827 176.000 -0.039 0.000 1.206 499 Q CA 0.104 55.894 55.803 -0.021 0.000 1.070 499 Q CB 0.161 28.898 28.738 -0.000 0.000 1.208 499 Q HN 0.226 nan 8.270 nan 0.000 0.423 500 L N 3.401 124.583 121.223 -0.067 0.000 2.319 500 L HA 0.147 4.486 4.340 -0.002 0.000 0.280 500 L C -0.439 176.471 176.870 0.067 0.000 1.099 500 L CA -0.084 54.674 54.840 -0.138 0.000 0.828 500 L CB 0.462 42.429 42.059 -0.153 0.000 1.150 500 L HN 0.690 nan 8.230 nan 0.000 0.442 501 H N 3.825 122.961 119.070 0.110 0.000 2.458 501 H HA 0.286 4.841 4.556 -0.002 0.000 0.330 501 H C 0.974 176.358 175.328 0.093 0.000 1.111 501 H CA -0.414 55.706 56.048 0.120 0.000 1.245 501 H CB 1.135 30.903 29.762 0.010 0.000 1.456 501 H HN 0.588 nan 8.280 nan 0.000 0.488 502 N N 1.856 120.289 118.700 -0.445 0.000 2.096 502 N HA -0.212 4.527 4.740 -0.002 0.000 0.195 502 N C 1.387 176.715 175.510 -0.304 0.000 1.017 502 N CA 2.122 54.981 53.050 -0.319 0.000 0.870 502 N CB -0.569 37.713 38.487 -0.342 0.000 1.024 502 N HN 0.640 nan 8.380 nan 0.000 0.434 503 T N 0.059 114.239 114.554 -0.623 0.000 2.751 503 T HA -0.191 4.159 4.350 -0.002 0.000 0.268 503 T C 1.303 175.838 174.700 -0.275 0.000 1.045 503 T CA 1.651 63.527 62.100 -0.373 0.000 1.142 503 T CB -0.481 68.150 68.868 -0.395 0.000 0.851 503 T HN 0.505 nan 8.240 nan 0.000 0.474 504 H N -1.464 117.367 119.070 -0.398 0.000 2.423 504 H HA 0.108 4.663 4.556 -0.002 0.000 0.297 504 H C 0.615 175.909 175.328 -0.058 0.000 1.075 504 H CA 0.273 56.050 56.048 -0.452 0.000 1.342 504 H CB -0.155 29.334 29.762 -0.455 0.000 1.395 504 H HN 0.474 nan 8.280 nan 0.000 0.530 505 W N 1.637 122.912 121.300 -0.041 0.000 2.409 505 W HA 0.063 4.723 4.660 -0.002 0.000 0.338 505 W C 1.289 177.803 176.519 -0.009 0.000 1.273 505 W CA 1.896 59.222 57.345 -0.031 0.000 1.299 505 W CB 0.157 29.581 29.460 -0.061 0.000 1.192 505 W HN 0.468 nan 8.180 nan 0.000 0.565 506 G N 4.433 113.014 108.800 -0.366 0.000 4.024 506 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.206 506 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.206 506 G C 0.742 175.564 174.900 -0.129 0.000 1.608 506 G CA 0.257 45.218 45.100 -0.232 0.000 1.221 506 G HN 0.840 nan 8.290 nan 0.000 0.623 507 M N 1.649 121.284 119.600 0.058 0.000 2.618 507 M HA 0.465 4.944 4.480 -0.002 0.000 0.240 507 M C 1.015 177.375 176.300 0.100 0.000 1.123 507 M CA 0.220 55.587 55.300 0.112 0.000 1.060 507 M CB -1.035 31.710 32.600 0.243 0.000 1.535 507 M HN 0.260 nan 8.290 nan 0.000 0.507 508 V N 2.759 122.677 119.914 0.007 0.000 2.644 508 V HA -0.202 3.917 4.120 -0.002 0.000 0.303 508 V C 1.039 177.114 176.094 -0.031 0.000 1.058 508 V CA 0.958 63.235 62.300 -0.038 0.000 1.228 508 V CB -0.685 31.028 31.823 -0.183 0.000 0.861 508 V HN 0.848 nan 8.190 nan 0.000 0.484 509 C N 4.635 123.937 119.300 0.005 0.000 4.529 509 C HA -0.128 4.331 4.460 -0.002 0.000 0.296 509 C C -0.434 174.518 174.990 -0.063 0.000 1.353 509 C CA -0.275 58.747 59.018 0.008 0.000 2.011 509 C CB -2.647 25.151 27.740 0.097 0.000 1.235 509 C HN 0.867 nan 8.230 nan 0.000 0.784 510 P HA 0.278 nan 4.420 nan 0.000 0.196 510 P C 0.290 177.542 177.300 -0.081 0.000 1.065 510 P CA 2.149 65.203 63.100 -0.077 0.000 0.803 510 P CB 0.280 31.949 31.700 -0.053 0.000 0.673 511 A N -0.555 122.229 122.820 -0.060 0.000 2.763 511 A HA 0.460 4.779 4.320 -0.002 0.000 0.325 511 A C -0.409 177.137 177.584 -0.064 0.000 1.209 511 A CA -0.142 51.854 52.037 -0.068 0.000 0.764 511 A CB -0.311 18.657 19.000 -0.054 0.000 1.120 511 A HN 0.316 nan 8.150 nan 0.000 0.463 512 E N 2.052 122.214 120.200 -0.064 0.000 3.711 512 E HA 0.218 4.568 4.350 -0.002 0.000 0.267 512 E C -0.166 176.408 176.600 -0.044 0.000 1.198 512 E CA 0.112 56.483 56.400 -0.048 0.000 1.150 512 E CB 0.366 30.054 29.700 -0.021 0.000 1.297 512 E HN 0.656 nan 8.360 nan 0.000 0.399 513 T N -1.620 112.893 114.554 -0.068 0.000 2.919 513 T HA 0.701 5.050 4.350 -0.002 0.000 0.282 513 T C -2.510 172.155 174.700 -0.058 0.000 1.020 513 T CA -1.936 60.133 62.100 -0.053 0.000 0.994 513 T CB 1.381 70.213 68.868 -0.059 0.000 1.180 513 T HN -0.035 nan 8.240 nan 0.000 0.566 514 P HA 0.291 nan 4.420 nan 0.000 0.274 514 P C -0.742 176.524 177.300 -0.057 0.000 1.231 514 P CA -0.497 62.583 63.100 -0.033 0.000 0.790 514 P CB 0.168 31.863 31.700 -0.009 0.000 0.951 515 E N 1.659 121.828 120.200 -0.052 0.000 2.238 515 E HA 0.346 4.695 4.350 -0.002 0.000 0.264 515 E C 0.868 177.452 176.600 -0.027 0.000 1.136 515 E CA 0.022 56.390 56.400 -0.053 0.000 0.929 515 E CB -0.437 29.257 29.700 -0.010 0.000 1.010 515 E HN 0.713 nan 8.360 nan 0.000 0.440 516 G N 2.344 111.125 108.800 -0.032 0.000 2.877 516 G HA2 -0.368 3.591 3.960 -0.002 0.000 0.279 516 G HA3 -0.368 3.591 3.960 -0.002 0.000 0.279 516 G C 0.300 175.193 174.900 -0.012 0.000 1.431 516 G CA 0.126 45.216 45.100 -0.017 0.000 0.883 516 G HN 0.660 nan 8.290 nan 0.000 0.547 517 Q N -2.042 117.754 119.800 -0.006 0.000 2.108 517 Q HA -0.230 4.109 4.340 -0.002 0.000 0.376 517 Q C 1.807 177.806 176.000 -0.001 0.000 1.048 517 Q CA 4.120 59.922 55.803 -0.002 0.000 0.965 517 Q CB -1.721 27.017 28.738 -0.000 0.000 2.066 517 Q HN 2.554 nan 8.270 nan 0.000 0.828 518 A N 0.046 122.867 122.820 0.001 0.000 3.074 518 A HA 0.419 4.738 4.320 -0.002 0.000 0.251 518 A C 0.044 177.625 177.584 -0.006 0.000 1.695 518 A CA 0.266 52.305 52.037 0.004 0.000 1.343 518 A CB -0.893 18.114 19.000 0.012 0.000 1.078 518 A HN 0.433 nan 8.150 nan 0.000 0.644 519 C N -0.043 119.248 119.300 -0.015 0.000 2.637 519 C HA 0.459 4.918 4.460 -0.002 0.000 0.418 519 C C 1.870 176.844 174.990 -0.026 0.000 1.319 519 C CA 1.016 60.015 59.018 -0.031 0.000 1.949 519 C CB -0.468 27.248 27.740 -0.039 0.000 2.639 519 C HN 1.393 nan 8.230 nan 0.000 0.594 520 G N 3.267 112.044 108.800 -0.038 0.000 2.200 520 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.267 520 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.267 520 G C 0.559 175.457 174.900 -0.002 0.000 0.993 520 G CA 0.917 45.991 45.100 -0.042 0.000 0.701 520 G HN 0.788 nan 8.290 nan 0.000 0.524 521 L N -1.081 120.149 121.223 0.010 0.000 2.253 521 L HA 0.223 4.562 4.340 -0.002 0.000 0.205 521 L C 1.328 178.221 176.870 0.039 0.000 1.078 521 L CA 0.307 55.166 54.840 0.032 0.000 0.805 521 L CB -0.119 41.956 42.059 0.027 0.000 0.963 521 L HN 0.135 nan 8.230 nan 0.000 0.459 522 V N 0.588 120.517 119.914 0.025 0.000 2.617 522 V HA 0.320 4.439 4.120 -0.002 0.000 0.298 522 V C -0.295 175.815 176.094 0.026 0.000 1.048 522 V CA -0.497 61.819 62.300 0.028 0.000 0.964 522 V CB 1.592 33.427 31.823 0.020 0.000 1.004 522 V HN 0.214 nan 8.190 nan 0.000 0.466 523 K N 2.391 122.815 120.400 0.041 0.000 2.533 523 K HA 0.580 4.899 4.320 -0.002 0.000 0.272 523 K C -1.550 175.080 176.600 0.049 0.000 0.985 523 K CA -1.020 55.295 56.287 0.047 0.000 0.876 523 K CB 1.789 34.350 32.500 0.102 0.000 1.452 523 K HN 0.591 nan 8.250 nan 0.000 0.439 524 N N 0.724 119.452 118.700 0.046 0.000 2.272 524 N HA 0.412 5.151 4.740 -0.002 0.000 0.305 524 N C -1.030 174.519 175.510 0.065 0.000 1.103 524 N CA -0.739 52.340 53.050 0.048 0.000 0.791 524 N CB 1.052 39.560 38.487 0.035 0.000 1.356 524 N HN 0.380 nan 8.380 nan 0.000 0.486 525 L N 1.481 122.744 121.223 0.067 0.000 2.418 525 L HA 0.156 4.495 4.340 -0.002 0.000 0.274 525 L C 1.071 177.984 176.870 0.071 0.000 1.135 525 L CA -0.342 54.545 54.840 0.079 0.000 0.870 525 L CB 0.030 42.135 42.059 0.075 0.000 1.154 525 L HN 0.691 nan 8.230 nan 0.000 0.462 526 S N 3.413 119.148 115.700 0.059 0.000 2.822 526 S HA -0.090 4.379 4.470 -0.002 0.000 0.251 526 S C 1.153 175.793 174.600 0.068 0.000 1.441 526 S CA -0.162 58.056 58.200 0.031 0.000 0.983 526 S CB 0.399 63.587 63.200 -0.019 0.000 0.910 526 S HN 0.562 nan 8.310 nan 0.000 0.557 527 L N -0.667 120.596 121.223 0.067 0.000 2.270 527 L HA 0.061 4.400 4.340 -0.002 0.000 0.210 527 L C 2.217 179.136 176.870 0.082 0.000 1.104 527 L CA 0.822 55.773 54.840 0.184 0.000 0.804 527 L CB -0.324 41.884 42.059 0.248 0.000 0.937 527 L HN 0.597 nan 8.230 nan 0.000 0.450 528 M N -0.715 118.816 119.600 -0.116 0.000 2.382 528 M HA 0.113 4.592 4.480 -0.002 0.000 0.247 528 M C 1.011 177.264 176.300 -0.079 0.000 1.104 528 M CA 0.116 55.200 55.300 -0.360 0.000 1.030 528 M CB -0.173 32.167 32.600 -0.433 0.000 1.424 528 M HN 0.166 nan 8.290 nan 0.000 0.486 529 S N 1.008 116.731 115.700 0.040 0.000 2.593 529 S HA 0.010 4.479 4.470 -0.002 0.000 0.300 529 S C -0.691 174.059 174.600 0.251 0.000 1.267 529 S CA -0.008 58.269 58.200 0.128 0.000 1.065 529 S CB 0.026 63.288 63.200 0.104 0.000 0.807 529 S HN 0.393 nan 8.310 nan 0.000 0.499 530 Y N 2.619 123.003 120.300 0.139 0.000 2.346 530 Y HA 0.538 5.087 4.550 -0.002 0.000 0.332 530 Y C -0.883 175.049 175.900 0.054 0.000 0.985 530 Y CA -1.029 57.151 58.100 0.133 0.000 1.112 530 Y CB 1.339 39.943 38.460 0.240 0.000 1.170 530 Y HN 0.658 nan 8.280 nan 0.000 0.447 531 V N 5.077 124.790 119.914 -0.334 0.000 2.481 531 V HA 0.215 4.334 4.120 -0.002 0.000 0.286 531 V C 0.145 176.022 176.094 -0.361 0.000 1.042 531 V CA -0.661 61.493 62.300 -0.243 0.000 0.928 531 V CB 1.698 33.432 31.823 -0.148 0.000 0.986 531 V HN 0.830 nan 8.190 nan 0.000 0.462 532 S N 3.718 119.327 115.700 -0.152 0.000 2.457 532 S HA 0.063 4.532 4.470 -0.002 0.000 0.294 532 S C 1.169 175.738 174.600 -0.053 0.000 1.201 532 S CA -0.552 57.602 58.200 -0.076 0.000 1.112 532 S CB 0.396 63.586 63.200 -0.017 0.000 1.018 532 S HN 0.510 nan 8.310 nan 0.000 0.511 533 V N 5.246 125.144 119.914 -0.026 0.000 2.332 533 V HA 0.092 4.211 4.120 -0.002 0.000 0.248 533 V C 1.533 177.651 176.094 0.039 0.000 1.055 533 V CA 1.299 63.632 62.300 0.055 0.000 1.038 533 V CB -1.980 29.949 31.823 0.177 0.000 0.651 533 V HN 1.212 nan 8.190 nan 0.000 0.450 534 G N -0.107 108.716 108.800 0.038 0.000 2.617 534 G HA2 0.176 4.135 3.960 -0.002 0.000 0.686 534 G HA3 0.176 4.135 3.960 -0.002 0.000 0.686 534 G C -0.483 174.437 174.900 0.034 0.000 1.214 534 G CA -0.345 44.773 45.100 0.030 0.000 0.796 534 G HN 1.121 nan 8.290 nan 0.000 0.654 535 S N 0.753 116.469 115.700 0.027 0.000 2.564 535 S HA 0.866 5.335 4.470 -0.002 0.000 0.274 535 S C -2.896 171.713 174.600 0.016 0.000 1.124 535 S CA -1.341 56.872 58.200 0.021 0.000 0.869 535 S CB 2.312 65.524 63.200 0.019 0.000 1.105 535 S HN 0.690 nan 8.310 nan 0.000 0.472 536 P HA 0.166 nan 4.420 nan 0.000 0.264 536 P C 0.390 177.702 177.300 0.020 0.000 1.183 536 P CA 0.025 63.131 63.100 0.011 0.000 0.763 536 P CB 0.580 32.287 31.700 0.011 0.000 0.807 537 S N 1.700 117.413 115.700 0.022 0.000 2.593 537 S HA 0.143 4.612 4.470 -0.002 0.000 0.217 537 S C 1.378 175.999 174.600 0.035 0.000 0.966 537 S CA 0.585 58.804 58.200 0.031 0.000 0.914 537 S CB -0.447 62.773 63.200 0.034 0.000 0.776 537 S HN 0.473 nan 8.310 nan 0.000 0.523 538 A N 2.893 125.733 122.820 0.034 0.000 1.903 538 A HA 0.302 4.621 4.320 -0.002 0.000 0.217 538 A C -0.671 176.958 177.584 0.076 0.000 1.387 538 A CA 0.398 52.461 52.037 0.042 0.000 0.604 538 A CB -1.672 17.346 19.000 0.030 0.000 1.043 538 A HN 0.425 nan 8.150 nan 0.000 0.481 539 P HA -0.147 nan 4.420 nan 0.000 0.229 539 P C 1.157 178.605 177.300 0.247 0.000 1.147 539 P CA 1.156 64.359 63.100 0.171 0.000 0.766 539 P CB -0.415 31.381 31.700 0.161 0.000 0.775 540 I N -3.279 117.375 120.570 0.140 0.000 2.494 540 I HA -0.064 4.105 4.170 -0.002 0.000 0.250 540 I C 2.124 178.344 176.117 0.172 0.000 1.112 540 I CA 0.838 62.204 61.300 0.109 0.000 1.438 540 I CB -0.937 37.088 38.000 0.041 0.000 1.111 540 I HN -0.135 nan 8.210 nan 0.000 0.431 541 I N -0.060 120.591 120.570 0.135 0.000 2.676 541 I HA -0.072 4.097 4.170 -0.002 0.000 0.259 541 I C 2.091 178.296 176.117 0.146 0.000 1.194 541 I CA 1.142 62.512 61.300 0.117 0.000 1.473 541 I CB -0.537 37.505 38.000 0.069 0.000 1.096 541 I HN 0.223 nan 8.210 nan 0.000 0.443 542 E N 1.143 121.452 120.200 0.183 0.000 2.118 542 E HA -0.177 4.172 4.350 -0.002 0.000 0.195 542 E C 1.366 178.022 176.600 0.093 0.000 0.992 542 E CA 1.431 57.899 56.400 0.114 0.000 0.804 542 E CB -0.189 29.564 29.700 0.087 0.000 0.741 542 E HN 0.600 nan 8.360 nan 0.000 0.458 543 F N -0.419 119.578 119.950 0.077 0.000 2.731 543 F HA 0.082 4.608 4.527 -0.002 0.000 0.304 543 F C 1.379 177.265 175.800 0.142 0.000 1.133 543 F CA 0.116 58.190 58.000 0.124 0.000 1.380 543 F CB 0.245 39.310 39.000 0.108 0.000 1.079 543 F HN 0.004 nan 8.300 nan 0.000 0.550 544 L N -0.863 120.506 121.223 0.242 0.000 2.666 544 L HA 0.219 4.558 4.340 -0.002 0.000 0.184 544 L C 2.002 178.934 176.870 0.104 0.000 1.092 544 L CA 1.059 55.991 54.840 0.152 0.000 0.857 544 L CB -0.562 41.559 42.059 0.103 0.000 1.281 544 L HN -0.123 nan 8.230 nan 0.000 0.489 545 E N -0.190 120.057 120.200 0.079 0.000 2.085 545 E HA -0.304 4.045 4.350 -0.002 0.000 0.194 545 E C 1.690 178.327 176.600 0.062 0.000 0.994 545 E CA 1.615 58.043 56.400 0.046 0.000 0.801 545 E CB 0.090 29.808 29.700 0.031 0.000 0.743 545 E HN 0.406 nan 8.360 nan 0.000 0.453 546 E N -0.367 119.888 120.200 0.091 0.000 2.208 546 E HA -0.094 4.255 4.350 -0.002 0.000 0.193 546 E C -0.321 176.428 176.600 0.249 0.000 0.988 546 E CA 0.516 56.980 56.400 0.107 0.000 0.828 546 E CB 0.250 29.973 29.700 0.039 0.000 0.763 546 E HN 0.282 nan 8.360 nan 0.000 0.478 547 W N -0.430 120.875 121.300 0.009 0.000 2.957 547 W HA 0.481 5.140 4.660 -0.002 0.000 0.327 547 W C -1.372 175.201 176.519 0.090 0.000 1.039 547 W CA -0.049 57.313 57.345 0.029 0.000 1.257 547 W CB 0.824 30.296 29.460 0.021 0.000 1.238 547 W HN 0.057 nan 8.180 nan 0.000 0.406 548 G N 4.751 113.320 108.800 -0.385 0.000 2.318 548 G HA2 0.151 4.110 3.960 -0.002 0.000 0.306 548 G HA3 0.151 4.110 3.960 -0.002 0.000 0.306 548 G C -0.572 174.030 174.900 -0.496 0.000 1.696 548 G CA -0.801 44.109 45.100 -0.318 0.000 0.905 548 G HN 0.298 nan 8.290 nan 0.000 0.700 549 L N 0.621 121.638 121.223 -0.344 0.000 2.068 549 L HA 0.236 4.575 4.340 -0.002 0.000 0.204 549 L C 1.244 178.025 176.870 -0.148 0.000 1.076 549 L CA 1.743 56.480 54.840 -0.172 0.000 0.753 549 L CB -0.960 41.002 42.059 -0.162 0.000 0.910 549 L HN 0.872 nan 8.230 nan 0.000 0.439 550 E N 1.882 121.948 120.200 -0.224 0.000 6.165 550 E HA -0.162 4.187 4.350 -0.002 0.000 0.190 550 E C -0.387 176.119 176.600 -0.156 0.000 1.399 550 E CA 0.543 56.865 56.400 -0.131 0.000 1.382 550 E CB -0.556 29.150 29.700 0.010 0.000 0.979 550 E HN 0.494 nan 8.360 nan 0.000 0.311 551 T N 2.318 116.721 114.554 -0.253 0.000 2.824 551 T HA 0.713 5.062 4.350 -0.002 0.000 0.280 551 T C 1.395 175.937 174.700 -0.264 0.000 0.995 551 T CA -0.834 61.075 62.100 -0.318 0.000 1.009 551 T CB 1.621 70.099 68.868 -0.650 0.000 0.955 551 T HN 0.318 nan 8.240 nan 0.000 0.452 552 L N 0.675 121.809 121.223 -0.149 0.000 2.618 552 L HA 0.621 4.960 4.340 -0.002 0.000 0.156 552 L C 1.036 177.894 176.870 -0.021 0.000 1.675 552 L CA -0.669 54.103 54.840 -0.113 0.000 3.113 552 L CB -2.163 39.860 42.059 -0.060 0.000 3.006 552 L HN 0.896 nan 8.230 nan 0.000 0.867 553 E N 0.260 120.465 120.200 0.009 0.000 3.611 553 E HA -0.311 4.038 4.350 -0.002 0.000 0.285 553 E C 0.446 177.057 176.600 0.018 0.000 1.520 553 E CA 1.596 58.034 56.400 0.063 0.000 2.203 553 E CB -0.813 28.971 29.700 0.140 0.000 2.008 553 E HN 0.890 nan 8.360 nan 0.000 0.455 554 D N -0.379 120.058 120.400 0.062 0.000 1.695 554 D HA -0.096 4.543 4.640 -0.002 0.000 0.313 554 D C 0.259 176.598 176.300 0.065 0.000 1.070 554 D CA 0.960 54.986 54.000 0.043 0.000 0.883 554 D CB -0.558 40.232 40.800 -0.016 0.000 1.314 554 D HN 0.621 nan 8.370 nan 0.000 0.442 555 Y N 0.049 120.320 120.300 -0.048 0.000 3.027 555 Y HA -0.175 4.374 4.550 -0.002 0.000 0.146 555 Y C 0.820 176.677 175.900 -0.072 0.000 1.924 555 Y CA 0.438 58.495 58.100 -0.072 0.000 1.039 555 Y CB -2.175 36.219 38.460 -0.110 0.000 1.555 555 Y HN 0.526 nan 8.280 nan 0.000 0.371 556 N N -1.434 117.307 118.700 0.068 0.000 2.575 556 N HA 0.166 4.905 4.740 -0.002 0.000 0.258 556 N C -2.530 173.011 175.510 0.053 0.000 1.019 556 N CA -0.160 52.941 53.050 0.085 0.000 0.909 556 N CB -0.288 38.330 38.487 0.219 0.000 1.728 556 N HN 0.140 nan 8.380 nan 0.000 0.604 557 P HA -0.016 nan 4.420 nan 0.000 0.258 557 P C 0.782 178.090 177.300 0.013 0.000 1.172 557 P CA 1.079 64.184 63.100 0.009 0.000 0.762 557 P CB 0.653 32.344 31.700 -0.016 0.000 0.764 558 S N 2.850 118.566 115.700 0.027 0.000 4.155 558 S HA -0.331 4.138 4.470 -0.002 0.000 0.552 558 S C 0.685 175.279 174.600 -0.010 0.000 1.869 558 S CA 1.143 59.351 58.200 0.013 0.000 4.246 558 S CB -1.820 61.382 63.200 0.004 0.000 0.245 558 S HN 0.756 nan 8.310 nan 0.000 0.461 559 A N 0.852 123.666 122.820 -0.009 0.000 2.561 559 A HA 0.489 4.808 4.320 -0.002 0.000 0.234 559 A C 0.855 178.429 177.584 -0.016 0.000 1.055 559 A CA 1.174 53.201 52.037 -0.016 0.000 0.756 559 A CB -0.647 18.352 19.000 -0.003 0.000 0.986 559 A HN 2.023 nan 8.150 nan 0.000 0.505 560 S N 1.834 117.510 115.700 -0.040 0.000 3.367 560 S HA -0.094 4.375 4.470 -0.002 0.000 0.479 560 S C -2.334 172.230 174.600 -0.061 0.000 0.735 560 S CA 0.538 58.712 58.200 -0.044 0.000 1.365 560 S CB -1.444 61.755 63.200 -0.002 0.000 1.037 560 S HN 0.757 nan 8.310 nan 0.000 0.752 561 P HA 0.347 nan 4.420 nan 0.000 0.273 561 P C -0.022 177.166 177.300 -0.186 0.000 1.250 561 P CA -0.438 62.535 63.100 -0.212 0.000 0.793 561 P CB 0.514 31.955 31.700 -0.432 0.000 1.011 562 N N 0.644 119.260 118.700 -0.139 0.000 2.549 562 N HA 0.407 5.146 4.740 -0.002 0.000 0.290 562 N C -1.533 173.940 175.510 -0.062 0.000 1.122 562 N CA -0.235 52.746 53.050 -0.114 0.000 0.885 562 N CB 0.738 39.143 38.487 -0.138 0.000 1.455 562 N HN 0.569 nan 8.380 nan 0.000 0.521 563 A N 1.839 124.633 122.820 -0.043 0.000 1.758 563 A HA -0.116 4.203 4.320 -0.002 0.000 0.226 563 A C 0.302 177.866 177.584 -0.032 0.000 1.327 563 A CA 1.001 53.014 52.037 -0.040 0.000 0.681 563 A CB -2.027 16.939 19.000 -0.057 0.000 1.173 563 A HN 0.787 nan 8.150 nan 0.000 0.234 564 T N 2.056 116.608 114.554 -0.002 0.000 2.828 564 T HA 0.529 4.878 4.350 -0.002 0.000 0.290 564 T C 0.783 175.500 174.700 0.029 0.000 1.019 564 T CA 0.311 62.412 62.100 0.002 0.000 1.031 564 T CB 0.127 68.999 68.868 0.008 0.000 1.001 564 T HN 1.034 nan 8.240 nan 0.000 0.531 565 K N 0.916 121.322 120.400 0.010 0.000 2.502 565 K HA 0.710 5.029 4.320 -0.002 0.000 0.252 565 K C -1.339 175.278 176.600 0.028 0.000 1.043 565 K CA -0.830 55.489 56.287 0.054 0.000 0.999 565 K CB 0.656 33.112 32.500 -0.073 0.000 1.343 565 K HN 0.374 nan 8.250 nan 0.000 0.513 566 V N 1.281 121.225 119.914 0.050 0.000 2.663 566 V HA 0.271 4.390 4.120 -0.002 0.000 0.286 566 V C -1.466 174.685 176.094 0.095 0.000 1.085 566 V CA -0.730 61.617 62.300 0.078 0.000 0.916 566 V CB 0.861 32.714 31.823 0.050 0.000 1.039 566 V HN 0.577 nan 8.190 nan 0.000 0.453 567 F N 3.418 123.302 119.950 -0.110 0.000 2.378 567 F HA 0.789 5.315 4.527 -0.002 0.000 0.325 567 F C 0.343 176.077 175.800 -0.110 0.000 1.097 567 F CA -1.090 56.865 58.000 -0.075 0.000 1.079 567 F CB 1.725 40.609 39.000 -0.193 0.000 1.240 567 F HN 0.157 nan 8.300 nan 0.000 0.519 568 V N 2.440 122.431 119.914 0.127 0.000 2.559 568 V HA 0.247 4.366 4.120 -0.002 0.000 0.289 568 V C -0.726 175.388 176.094 0.033 0.000 1.036 568 V CA -1.121 61.180 62.300 0.002 0.000 0.887 568 V CB 1.212 33.051 31.823 0.026 0.000 1.022 568 V HN 0.812 nan 8.190 nan 0.000 0.442 569 N N 3.834 122.499 118.700 -0.058 0.000 2.754 569 N HA -0.195 4.544 4.740 -0.002 0.000 0.248 569 N C 1.217 176.832 175.510 0.175 0.000 1.093 569 N CA 1.985 55.104 53.050 0.116 0.000 0.699 569 N CB -1.112 37.454 38.487 0.132 0.000 1.016 569 N HN 1.596 nan 8.380 nan 0.000 0.552 570 G N -2.475 106.418 108.800 0.154 0.000 2.184 570 G HA2 -0.351 3.608 3.960 -0.002 0.000 0.264 570 G HA3 -0.351 3.608 3.960 -0.002 0.000 0.264 570 G C 0.112 175.380 174.900 0.613 0.000 0.975 570 G CA 0.389 45.727 45.100 0.396 0.000 0.642 570 G HN 0.618 nan 8.290 nan 0.000 0.536 571 V N 1.108 121.285 119.914 0.439 0.000 2.276 571 V HA 0.287 4.406 4.120 -0.002 0.000 0.249 571 V C 0.670 177.001 176.094 0.394 0.000 1.160 571 V CA -0.387 62.186 62.300 0.454 0.000 1.042 571 V CB 0.028 32.009 31.823 0.263 0.000 1.224 571 V HN 0.403 nan 8.190 nan 0.000 0.496 572 W N 7.102 128.520 121.300 0.196 0.000 1.319 572 W HA 0.219 4.879 4.660 -0.001 0.000 0.506 572 W C -0.210 176.162 176.519 -0.244 0.000 0.626 572 W CA -0.854 56.201 57.345 -0.483 0.000 2.268 572 W CB 0.026 28.613 29.460 -1.455 0.000 1.536 572 W HN 0.318 nan 8.180 nan 0.000 0.199 573 L N 5.427 126.631 121.223 -0.032 0.000 2.321 573 L HA 0.616 4.955 4.340 -0.002 0.000 0.272 573 L C 0.365 177.138 176.870 -0.161 0.000 1.050 573 L CA 0.321 55.065 54.840 -0.160 0.000 0.893 573 L CB -0.056 41.977 42.059 -0.044 0.000 1.272 573 L HN 0.475 nan 8.230 nan 0.000 0.435 574 G N 2.284 110.896 108.800 -0.313 0.000 2.321 574 G HA2 0.117 4.076 3.960 -0.002 0.000 0.339 574 G HA3 0.117 4.076 3.960 -0.002 0.000 0.339 574 G C -0.870 173.961 174.900 -0.114 0.000 1.518 574 G CA -0.088 44.909 45.100 -0.172 0.000 0.994 574 G HN 0.288 nan 8.290 nan 0.000 0.668 575 V N 0.271 120.137 119.914 -0.080 0.000 2.948 575 V HA 0.461 4.580 4.120 -0.002 0.000 0.234 575 V C 0.953 177.083 176.094 0.060 0.000 1.205 575 V CA 2.339 64.635 62.300 -0.006 0.000 1.234 575 V CB -0.813 30.949 31.823 -0.103 0.000 1.020 575 V HN 2.088 nan 8.190 nan 0.000 0.491 576 H N 0.804 119.805 119.070 -0.115 0.000 3.296 576 H HA -0.201 4.354 4.556 -0.002 0.000 0.250 576 H C 0.719 175.988 175.328 -0.098 0.000 0.651 576 H CA 1.172 57.150 56.048 -0.117 0.000 0.768 576 H CB 0.276 29.974 29.762 -0.105 0.000 1.307 576 H HN 0.525 nan 8.280 nan 0.000 0.279 577 R N 2.391 122.683 120.500 -0.347 0.000 1.589 577 R HA 0.105 4.444 4.340 -0.002 0.000 0.112 577 R C -0.192 176.195 176.300 0.144 0.000 1.790 577 R CA -0.085 55.955 56.100 -0.101 0.000 1.885 577 R CB -0.168 30.006 30.300 -0.209 0.000 1.244 577 R HN 0.605 nan 8.270 nan 0.000 0.571 578 D N 3.067 123.490 120.400 0.039 0.000 2.518 578 D HA -0.025 4.614 4.640 -0.002 0.000 0.270 578 D C -1.734 174.765 176.300 0.332 0.000 1.338 578 D CA -0.483 53.618 54.000 0.168 0.000 0.983 578 D CB 0.401 41.300 40.800 0.166 0.000 1.126 578 D HN 0.160 nan 8.370 nan 0.000 0.543 579 P HA -0.109 nan 4.420 nan 0.000 0.220 579 P C 1.195 178.481 177.300 -0.024 0.000 1.152 579 P CA 0.994 64.067 63.100 -0.045 0.000 0.812 579 P CB 0.239 31.904 31.700 -0.060 0.000 0.792 580 A N 1.226 124.053 122.820 0.012 0.000 1.970 580 A HA -0.342 3.977 4.320 -0.002 0.000 0.227 580 A C 2.193 179.729 177.584 -0.079 0.000 1.568 580 A CA 2.510 54.505 52.037 -0.069 0.000 0.813 580 A CB -2.218 16.700 19.000 -0.136 0.000 0.833 580 A HN 0.287 nan 8.150 nan 0.000 0.492 581 H N -1.254 117.815 119.070 -0.001 0.000 2.387 581 H HA -0.138 4.417 4.556 -0.002 0.000 0.299 581 H C 2.098 177.414 175.328 -0.020 0.000 1.099 581 H CA 1.676 57.729 56.048 0.009 0.000 1.315 581 H CB -0.437 29.325 29.762 -0.001 0.000 1.380 581 H HN 0.439 nan 8.280 nan 0.000 0.513 582 L N 0.898 122.141 121.223 0.033 0.000 2.046 582 L HA -0.134 4.205 4.340 -0.002 0.000 0.208 582 L C 2.241 179.077 176.870 -0.056 0.000 1.077 582 L CA 1.735 56.508 54.840 -0.111 0.000 0.747 582 L CB -0.728 41.095 42.059 -0.394 0.000 0.896 582 L HN 0.066 nan 8.230 nan 0.000 0.432 583 T N -0.732 113.790 114.554 -0.054 0.000 2.706 583 T HA -0.090 4.259 4.350 -0.002 0.000 0.255 583 T C 1.657 176.365 174.700 0.014 0.000 1.048 583 T CA 1.126 63.209 62.100 -0.030 0.000 1.153 583 T CB -0.166 68.677 68.868 -0.041 0.000 0.865 583 T HN 0.319 nan 8.240 nan 0.000 0.414 584 E N 0.776 120.984 120.200 0.013 0.000 2.169 584 E HA -0.193 4.156 4.350 -0.002 0.000 0.202 584 E C 2.316 178.956 176.600 0.066 0.000 1.016 584 E CA 1.575 57.992 56.400 0.028 0.000 0.817 584 E CB -0.712 28.995 29.700 0.013 0.000 0.736 584 E HN 0.448 nan 8.360 nan 0.000 0.462 585 T N -0.171 114.451 114.554 0.113 0.000 2.985 585 T HA -0.051 4.298 4.350 -0.002 0.000 0.266 585 T C 1.803 176.599 174.700 0.160 0.000 1.076 585 T CA 0.252 62.461 62.100 0.181 0.000 1.135 585 T CB 0.061 69.132 68.868 0.337 0.000 0.890 585 T HN -0.078 nan 8.240 nan 0.000 0.480 586 L N 1.211 122.503 121.223 0.115 0.000 2.023 586 L HA 0.231 4.570 4.340 -0.002 0.000 0.205 586 L C 2.722 179.615 176.870 0.038 0.000 1.073 586 L CA 1.640 56.524 54.840 0.073 0.000 0.745 586 L CB -0.728 41.353 42.059 0.037 0.000 0.900 586 L HN 0.162 nan 8.230 nan 0.000 0.435 587 R N -0.665 119.856 120.500 0.036 0.000 2.159 587 R HA -0.136 4.203 4.340 -0.002 0.000 0.237 587 R C 2.180 178.496 176.300 0.026 0.000 1.131 587 R CA 1.402 57.519 56.100 0.029 0.000 0.982 587 R CB -0.397 29.923 30.300 0.033 0.000 0.868 587 R HN 0.534 nan 8.270 nan 0.000 0.453 588 S N -0.096 115.627 115.700 0.038 0.000 2.562 588 S HA 0.067 4.536 4.470 -0.002 0.000 0.221 588 S C 1.776 176.393 174.600 0.029 0.000 0.975 588 S CA 0.208 58.428 58.200 0.035 0.000 0.918 588 S CB -0.024 63.206 63.200 0.049 0.000 0.772 588 S HN 0.220 nan 8.310 nan 0.000 0.531 589 L N 0.169 121.405 121.223 0.022 0.000 2.270 589 L HA 0.216 4.555 4.340 -0.002 0.000 0.210 589 L C 2.930 179.774 176.870 -0.044 0.000 1.104 589 L CA 0.524 55.357 54.840 -0.013 0.000 0.804 589 L CB -0.355 41.667 42.059 -0.061 0.000 0.937 589 L HN 0.262 nan 8.230 nan 0.000 0.450 590 R N 0.274 120.756 120.500 -0.031 0.000 2.161 590 R HA 0.010 4.349 4.340 -0.002 0.000 0.213 590 R C 2.202 178.488 176.300 -0.024 0.000 1.055 590 R CA 0.524 56.605 56.100 -0.032 0.000 0.996 590 R CB 0.048 30.340 30.300 -0.013 0.000 0.901 590 R HN 0.334 nan 8.270 nan 0.000 0.456 591 R N 0.057 120.550 120.500 -0.013 0.000 2.236 591 R HA 0.019 4.358 4.340 -0.002 0.000 0.208 591 R C 1.611 177.900 176.300 -0.018 0.000 1.036 591 R CA 0.785 56.875 56.100 -0.016 0.000 1.001 591 R CB 0.127 30.422 30.300 -0.007 0.000 0.896 591 R HN 0.105 nan 8.270 nan 0.000 0.464 592 R N -0.082 120.411 120.500 -0.012 0.000 2.365 592 R HA 0.259 4.598 4.340 -0.002 0.000 0.223 592 R C 0.541 176.833 176.300 -0.014 0.000 0.899 592 R CA 0.011 56.108 56.100 -0.006 0.000 1.059 592 R CB 0.423 30.728 30.300 0.008 0.000 1.086 592 R HN 0.021 nan 8.270 nan 0.000 0.522 593 L N 0.647 121.853 121.223 -0.028 0.000 4.937 593 L HA -0.306 4.033 4.340 -0.002 0.000 0.422 593 L C 0.099 176.948 176.870 -0.036 0.000 1.059 593 L CA 0.434 55.252 54.840 -0.037 0.000 1.111 593 L CB -1.230 40.809 42.059 -0.033 0.000 2.033 593 L HN 0.159 nan 8.230 nan 0.000 0.708 594 D N 0.862 121.245 120.400 -0.028 0.000 2.228 594 D HA -0.010 4.629 4.640 -0.002 0.000 0.203 594 D C 0.978 177.217 176.300 -0.102 0.000 0.988 594 D CA 1.890 55.880 54.000 -0.017 0.000 0.864 594 D CB 0.029 40.849 40.800 0.034 0.000 0.928 594 D HN 0.755 nan 8.370 nan 0.000 0.469 595 I N -2.589 117.886 120.570 -0.158 0.000 2.785 595 I HA 0.366 4.535 4.170 -0.002 0.000 0.302 595 I C -0.165 175.887 176.117 -0.109 0.000 1.069 595 I CA -1.161 60.020 61.300 -0.198 0.000 1.045 595 I CB 2.221 40.025 38.000 -0.326 0.000 1.236 595 I HN -0.235 nan 8.210 nan 0.000 0.429 596 S N 3.306 118.957 115.700 -0.082 0.000 2.573 596 S HA 0.121 4.590 4.470 -0.002 0.000 0.297 596 S C 0.993 175.557 174.600 -0.060 0.000 1.280 596 S CA 0.000 58.171 58.200 -0.049 0.000 1.061 596 S CB 1.048 64.236 63.200 -0.021 0.000 0.812 596 S HN 0.989 nan 8.310 nan 0.000 0.500 597 A N 1.672 124.445 122.820 -0.078 0.000 2.238 597 A HA 0.100 4.419 4.320 -0.002 0.000 0.208 597 A C 1.564 179.091 177.584 -0.094 0.000 1.177 597 A CA 0.207 52.184 52.037 -0.099 0.000 0.804 597 A CB -0.457 18.448 19.000 -0.159 0.000 0.823 597 A HN 0.922 nan 8.150 nan 0.000 0.482 598 E N -0.079 120.090 120.200 -0.052 0.000 2.476 598 E HA 0.107 4.456 4.350 -0.002 0.000 0.191 598 E C -0.638 175.981 176.600 0.032 0.000 1.064 598 E CA -0.202 56.200 56.400 0.005 0.000 0.866 598 E CB 0.245 29.976 29.700 0.052 0.000 0.952 598 E HN 0.350 nan 8.360 nan 0.000 0.492 599 V N 2.280 122.205 119.914 0.018 0.000 2.432 599 V HA 0.084 4.203 4.120 -0.002 0.000 0.275 599 V C 0.497 176.622 176.094 0.051 0.000 1.043 599 V CA -0.593 61.727 62.300 0.033 0.000 0.925 599 V CB 1.304 33.127 31.823 -0.000 0.000 0.985 599 V HN 0.148 nan 8.190 nan 0.000 0.466 600 S N 5.485 121.235 115.700 0.085 0.000 2.693 600 S HA 0.887 5.356 4.470 -0.002 0.000 0.276 600 S C -0.466 174.173 174.600 0.065 0.000 1.192 600 S CA -0.693 57.563 58.200 0.093 0.000 0.994 600 S CB 1.761 65.048 63.200 0.146 0.000 1.012 600 S HN 0.843 nan 8.310 nan 0.000 0.550 601 I N -2.532 118.071 120.570 0.055 0.000 2.802 601 I HA 0.853 5.022 4.170 -0.002 0.000 0.298 601 I C -1.386 174.745 176.117 0.023 0.000 1.176 601 I CA -0.974 60.339 61.300 0.021 0.000 1.025 601 I CB 1.809 39.817 38.000 0.015 0.000 1.243 601 I HN 0.480 nan 8.210 nan 0.000 0.424 602 V N 4.775 124.684 119.914 -0.007 0.000 2.925 602 V HA 0.656 4.775 4.120 -0.002 0.000 0.311 602 V C -0.386 175.693 176.094 -0.024 0.000 1.104 602 V CA -0.709 61.589 62.300 -0.004 0.000 0.954 602 V CB 2.440 34.264 31.823 0.001 0.000 1.022 602 V HN 0.776 nan 8.190 nan 0.000 0.427 603 R N 1.535 122.026 120.500 -0.015 0.000 2.644 603 R HA 0.296 4.635 4.340 -0.002 0.000 0.271 603 R C -1.320 174.971 176.300 -0.015 0.000 1.687 603 R CA -0.666 55.421 56.100 -0.021 0.000 1.655 603 R CB 0.882 31.171 30.300 -0.018 0.000 1.285 603 R HN 0.589 nan 8.270 nan 0.000 0.643 604 D N 2.654 123.043 120.400 -0.018 0.000 2.489 604 D HA 0.011 4.650 4.640 -0.002 0.000 0.237 604 D C 1.306 177.604 176.300 -0.004 0.000 1.212 604 D CA -0.053 53.941 54.000 -0.010 0.000 1.058 604 D CB 0.399 41.189 40.800 -0.015 0.000 1.098 604 D HN 0.446 nan 8.370 nan 0.000 0.509 605 I N -1.254 119.314 120.570 -0.003 0.000 3.454 605 I HA -0.040 4.129 4.170 -0.002 0.000 0.297 605 I C 1.333 177.453 176.117 0.004 0.000 1.298 605 I CA 0.750 62.049 61.300 -0.002 0.000 1.297 605 I CB -0.186 37.810 38.000 -0.006 0.000 1.017 605 I HN 0.003 nan 8.210 nan 0.000 0.528 606 R N 0.234 120.740 120.500 0.009 0.000 2.453 606 R HA 0.276 4.615 4.340 -0.002 0.000 0.233 606 R C 0.842 177.159 176.300 0.028 0.000 0.895 606 R CA 0.229 56.339 56.100 0.015 0.000 1.028 606 R CB 0.452 30.759 30.300 0.012 0.000 1.255 606 R HN 0.448 nan 8.270 nan 0.000 0.571 607 E N 0.235 120.452 120.200 0.029 0.000 2.714 607 E HA 0.142 4.491 4.350 -0.002 0.000 0.219 607 E C -0.645 175.988 176.600 0.054 0.000 0.979 607 E CA -0.128 56.303 56.400 0.051 0.000 1.092 607 E CB 0.821 30.546 29.700 0.042 0.000 1.049 607 E HN -0.066 nan 8.360 nan 0.000 0.487 608 K N 0.756 121.174 120.400 0.030 0.000 2.147 608 K HA -0.268 4.051 4.320 -0.002 0.000 0.295 608 K C -0.492 176.111 176.600 0.005 0.000 1.670 608 K CA 1.612 57.909 56.287 0.016 0.000 0.554 608 K CB -0.943 31.568 32.500 0.019 0.000 0.875 608 K HN 0.265 nan 8.250 nan 0.000 0.734 609 E N -1.203 118.999 120.200 0.004 0.000 8.696 609 E HA -0.169 4.180 4.350 -0.002 0.000 0.467 609 E C -0.859 175.731 176.600 -0.015 0.000 1.149 609 E CA 1.049 57.455 56.400 0.011 0.000 1.997 609 E CB -0.234 29.453 29.700 -0.022 0.000 1.008 609 E HN 0.487 nan 8.360 nan 0.000 0.278 610 L N 1.499 122.720 121.223 -0.002 0.000 2.490 610 L HA 0.314 4.653 4.340 -0.002 0.000 0.261 610 L C -0.607 176.229 176.870 -0.057 0.000 1.232 610 L CA -0.469 54.346 54.840 -0.042 0.000 0.892 610 L CB 0.521 42.543 42.059 -0.062 0.000 1.085 610 L HN 0.406 nan 8.230 nan 0.000 0.491 611 R N 3.740 124.154 120.500 -0.144 0.000 2.590 611 R HA 0.495 4.834 4.340 -0.002 0.000 0.274 611 R C -0.854 175.258 176.300 -0.312 0.000 1.061 611 R CA 0.028 55.943 56.100 -0.309 0.000 1.081 611 R CB 0.680 30.726 30.300 -0.423 0.000 0.984 611 R HN 0.504 nan 8.270 nan 0.000 0.448 612 L N 4.433 125.395 121.223 -0.435 0.000 2.492 612 L HA 0.365 4.704 4.340 -0.002 0.000 0.258 612 L C -0.916 175.768 176.870 -0.310 0.000 1.028 612 L CA -0.410 54.275 54.840 -0.257 0.000 0.900 612 L CB 0.519 42.510 42.059 -0.113 0.000 1.191 612 L HN 0.516 nan 8.230 nan 0.000 0.459 613 F N 0.633 120.590 119.950 0.012 0.000 2.368 613 F HA 0.419 4.945 4.527 -0.002 0.000 0.315 613 F C 1.380 177.184 175.800 0.006 0.000 1.145 613 F CA 0.143 58.148 58.000 0.008 0.000 1.095 613 F CB 1.577 40.571 39.000 -0.011 0.000 1.286 613 F HN 0.292 nan 8.300 nan 0.000 0.530 614 T N -1.928 112.762 114.554 0.227 0.000 3.418 614 T HA -0.003 4.346 4.350 -0.002 0.000 0.282 614 T C -0.679 174.074 174.700 0.088 0.000 0.863 614 T CA -0.264 61.905 62.100 0.115 0.000 0.823 614 T CB -0.577 68.333 68.868 0.070 0.000 1.239 614 T HN 0.552 nan 8.240 nan 0.000 0.766 615 D N 2.367 122.831 120.400 0.106 0.000 2.382 615 D HA 0.549 5.188 4.640 -0.002 0.000 0.245 615 D C 0.457 176.770 176.300 0.021 0.000 1.120 615 D CA 0.279 54.312 54.000 0.056 0.000 0.890 615 D CB 1.497 42.331 40.800 0.057 0.000 1.201 615 D HN 0.503 nan 8.370 nan 0.000 0.433 616 A N 1.828 124.651 122.820 0.006 0.000 2.511 616 A HA 0.507 4.826 4.320 -0.002 0.000 0.242 616 A C 1.280 178.843 177.584 -0.035 0.000 1.069 616 A CA 0.563 52.594 52.037 -0.010 0.000 0.763 616 A CB -0.061 18.938 19.000 -0.002 0.000 1.001 616 A HN 1.057 nan 8.150 nan 0.000 0.498 617 G N 1.561 110.330 108.800 -0.051 0.000 2.227 617 G HA2 -0.138 3.822 3.960 -0.002 0.000 0.168 617 G HA3 -0.138 3.822 3.960 -0.002 0.000 0.168 617 G C 0.371 175.207 174.900 -0.107 0.000 1.006 617 G CA -0.206 44.846 45.100 -0.079 0.000 0.684 617 G HN 0.763 nan 8.290 nan 0.000 0.489 618 R N 0.767 121.217 120.500 -0.082 0.000 2.784 618 R HA 0.482 4.821 4.340 -0.002 0.000 0.266 618 R C 0.943 177.202 176.300 -0.069 0.000 1.044 618 R CA 0.285 56.336 56.100 -0.082 0.000 1.151 618 R CB 0.201 30.488 30.300 -0.021 0.000 1.037 618 R HN 0.664 nan 8.270 nan 0.000 0.478 619 I N -1.499 119.030 120.570 -0.069 0.000 2.493 619 I HA 0.416 4.585 4.170 -0.002 0.000 0.298 619 I C 0.042 176.213 176.117 0.090 0.000 0.998 619 I CA -0.946 60.351 61.300 -0.004 0.000 1.137 619 I CB 1.622 39.591 38.000 -0.052 0.000 1.310 619 I HN 0.311 nan 8.210 nan 0.000 0.445 620 C N 3.266 122.678 119.300 0.187 0.000 2.662 620 C HA 0.710 5.169 4.460 -0.002 0.000 0.408 620 C C 0.421 175.537 174.990 0.209 0.000 2.199 620 C CA -0.589 58.590 59.018 0.268 0.000 1.790 620 C CB 1.293 29.335 27.740 0.503 0.000 2.162 620 C HN 0.960 nan 8.230 nan 0.000 0.448 621 R N 0.575 121.181 120.500 0.177 0.000 2.429 621 R HA 0.086 4.425 4.340 -0.002 0.000 0.223 621 R C -3.193 173.004 176.300 -0.171 0.000 0.980 621 R CA -0.521 55.577 56.100 -0.003 0.000 0.776 621 R CB 0.225 30.540 30.300 0.024 0.000 1.451 621 R HN 0.436 nan 8.270 nan 0.000 0.313 622 P HA -0.016 nan 4.420 nan 0.000 0.255 622 P C -0.314 176.742 177.300 -0.407 0.000 1.173 622 P CA 0.708 63.445 63.100 -0.605 0.000 0.780 622 P CB 0.368 31.757 31.700 -0.519 0.000 0.758 623 L N 3.135 124.154 121.223 -0.340 0.000 2.298 623 L HA 0.540 4.879 4.340 -0.002 0.000 0.268 623 L C 0.405 177.111 176.870 -0.273 0.000 1.010 623 L CA -1.056 53.628 54.840 -0.259 0.000 0.812 623 L CB 0.676 42.684 42.059 -0.084 0.000 1.331 623 L HN 0.141 nan 8.230 nan 0.000 0.450 624 F N 0.782 120.724 119.950 -0.013 0.000 2.408 624 F HA 0.532 5.058 4.527 -0.002 0.000 0.325 624 F C 0.634 176.449 175.800 0.025 0.000 1.082 624 F CA -0.619 57.366 58.000 -0.026 0.000 1.032 624 F CB 1.205 40.175 39.000 -0.049 0.000 1.259 624 F HN 0.201 nan 8.300 nan 0.000 0.503 625 I N -1.600 119.074 120.570 0.174 0.000 3.522 625 I HA 0.679 4.848 4.170 -0.002 0.000 0.292 625 I C -0.710 175.373 176.117 -0.056 0.000 1.147 625 I CA -0.831 60.436 61.300 -0.056 0.000 1.032 625 I CB 1.814 39.733 38.000 -0.134 0.000 1.337 625 I HN 0.360 nan 8.210 nan 0.000 0.496 626 V N -0.906 118.940 119.914 -0.113 0.000 3.165 626 V HA 0.146 4.265 4.120 -0.002 0.000 0.231 626 V C -0.483 175.584 176.094 -0.045 0.000 1.365 626 V CA 0.683 62.953 62.300 -0.050 0.000 1.286 626 V CB -0.263 31.555 31.823 -0.009 0.000 1.081 626 V HN 0.986 nan 8.190 nan 0.000 0.477 627 D N 2.442 122.800 120.400 -0.069 0.000 4.028 627 D HA -0.186 4.453 4.640 -0.002 0.000 0.233 627 D C -0.573 175.711 176.300 -0.025 0.000 1.080 627 D CA 0.505 54.478 54.000 -0.045 0.000 1.181 627 D CB -0.671 40.110 40.800 -0.031 0.000 0.815 627 D HN 0.469 nan 8.370 nan 0.000 0.401 628 N N 2.575 121.261 118.700 -0.024 0.000 2.479 628 N HA 0.297 5.036 4.740 -0.002 0.000 0.261 628 N C 0.594 176.093 175.510 -0.019 0.000 0.979 628 N CA -0.651 52.390 53.050 -0.016 0.000 0.930 628 N CB 1.155 39.636 38.487 -0.010 0.000 1.172 628 N HN 0.272 nan 8.380 nan 0.000 0.499 629 N N 3.240 121.930 118.700 -0.016 0.000 2.182 629 N HA 0.209 4.948 4.740 -0.002 0.000 0.186 629 N C -1.702 173.795 175.510 -0.022 0.000 1.036 629 N CA 0.714 53.754 53.050 -0.017 0.000 0.850 629 N CB -0.737 37.744 38.487 -0.011 0.000 1.010 629 N HN 0.524 nan 8.380 nan 0.000 0.432 630 P HA 0.354 nan 4.420 nan 0.000 0.278 630 P C -0.033 177.260 177.300 -0.012 0.000 1.266 630 P CA -0.289 62.801 63.100 -0.016 0.000 0.807 630 P CB 1.164 32.853 31.700 -0.019 0.000 1.094 631 N N -1.752 116.942 118.700 -0.009 0.000 2.702 631 N HA 0.002 4.742 4.740 -0.002 0.000 0.357 631 N C -0.715 174.792 175.510 -0.004 0.000 0.955 631 N CA 0.467 53.514 53.050 -0.005 0.000 1.723 631 N CB -0.357 38.128 38.487 -0.002 0.000 0.786 631 N HN 0.374 nan 8.380 nan 0.000 1.632 632 S N 1.087 116.785 115.700 -0.003 0.000 2.614 632 S HA 0.347 4.816 4.470 -0.002 0.000 0.265 632 S C -0.410 174.187 174.600 -0.003 0.000 1.303 632 S CA -0.208 57.991 58.200 -0.002 0.000 1.000 632 S CB 0.672 63.872 63.200 0.000 0.000 0.935 632 S HN 0.342 nan 8.310 nan 0.000 0.551 633 E N 1.035 121.233 120.200 -0.003 0.000 2.197 633 E HA -0.244 4.105 4.350 -0.002 0.000 0.184 633 E C 0.844 177.440 176.600 -0.007 0.000 1.439 633 E CA 0.983 57.381 56.400 -0.005 0.000 0.688 633 E CB -1.581 28.116 29.700 -0.004 0.000 1.090 633 E HN 0.817 nan 8.360 nan 0.000 0.341 634 R N -0.990 119.505 120.500 -0.007 0.000 3.902 634 R HA -0.378 3.961 4.340 -0.002 0.000 0.356 634 R C 1.679 177.971 176.300 -0.013 0.000 0.284 634 R CA 2.588 58.682 56.100 -0.010 0.000 1.171 634 R CB -0.879 29.413 30.300 -0.013 0.000 0.939 634 R HN 0.450 nan 8.270 nan 0.000 0.580 635 R N -0.621 119.870 120.500 -0.014 0.000 2.049 635 R HA 0.200 4.539 4.340 -0.002 0.000 0.202 635 R C 1.440 177.735 176.300 -0.008 0.000 1.306 635 R CA 0.608 56.700 56.100 -0.014 0.000 1.107 635 R CB -0.056 30.234 30.300 -0.017 0.000 0.996 635 R HN 0.438 nan 8.270 nan 0.000 0.469 636 G N -0.288 108.510 108.800 -0.004 0.000 2.630 636 G HA2 0.148 4.107 3.960 -0.002 0.000 0.223 636 G HA3 0.148 4.107 3.960 -0.002 0.000 0.223 636 G C 0.069 174.967 174.900 -0.003 0.000 1.434 636 G CA -0.037 45.065 45.100 0.003 0.000 1.057 636 G HN 0.292 nan 8.290 nan 0.000 0.570 637 E N -2.323 117.875 120.200 -0.004 0.000 3.935 637 E HA 0.154 4.504 4.350 -0.002 0.000 0.244 637 E C 0.139 176.731 176.600 -0.013 0.000 1.295 637 E CA -0.367 56.034 56.400 0.001 0.000 1.728 637 E CB -0.027 29.675 29.700 0.002 0.000 1.750 637 E HN 0.245 nan 8.360 nan 0.000 0.721 638 L N 2.809 124.012 121.223 -0.032 0.000 2.416 638 L HA 0.137 4.476 4.340 -0.002 0.000 0.272 638 L C 1.430 178.271 176.870 -0.048 0.000 1.161 638 L CA -0.459 54.342 54.840 -0.065 0.000 0.845 638 L CB 0.765 42.770 42.059 -0.089 0.000 1.119 638 L HN 0.609 nan 8.230 nan 0.000 0.464 639 C N 1.911 121.173 119.300 -0.062 0.000 2.697 639 C HA 0.376 4.835 4.460 -0.002 0.000 0.267 639 C C 0.780 175.766 174.990 -0.006 0.000 1.278 639 C CA -0.532 58.471 59.018 -0.025 0.000 1.708 639 C CB -0.714 27.013 27.740 -0.022 0.000 1.860 639 C HN 0.525 nan 8.230 nan 0.000 0.589 640 I N 1.666 122.208 120.570 -0.047 0.000 2.648 640 I HA 0.587 4.756 4.170 -0.002 0.000 0.304 640 I C -0.323 175.883 176.117 0.148 0.000 1.009 640 I CA -0.272 61.070 61.300 0.070 0.000 1.114 640 I CB 1.468 39.393 38.000 -0.125 0.000 1.293 640 I HN 0.179 nan 8.210 nan 0.000 0.449 641 R N 2.616 123.316 120.500 0.334 0.000 2.711 641 R HA 0.309 4.649 4.340 -0.002 0.000 0.284 641 R C 0.801 177.137 176.300 0.060 0.000 0.968 641 R CA -0.814 55.332 56.100 0.077 0.000 0.924 641 R CB 1.650 31.927 30.300 -0.038 0.000 1.162 641 R HN 0.559 nan 8.270 nan 0.000 0.465 642 K N 1.892 122.304 120.400 0.021 0.000 2.144 642 K HA -0.264 4.055 4.320 -0.002 0.000 0.209 642 K C 0.863 177.485 176.600 0.036 0.000 1.047 642 K CA 2.117 58.422 56.287 0.029 0.000 0.927 642 K CB 0.217 32.726 32.500 0.016 0.000 0.716 642 K HN 0.534 nan 8.250 nan 0.000 0.454 643 E N -0.286 119.906 120.200 -0.013 0.000 2.068 643 E HA -0.272 4.077 4.350 -0.002 0.000 0.207 643 E C 2.111 178.724 176.600 0.021 0.000 1.032 643 E CA 1.733 58.109 56.400 -0.040 0.000 0.839 643 E CB -0.419 29.194 29.700 -0.147 0.000 0.758 643 E HN 0.476 nan 8.360 nan 0.000 0.457 644 H N 0.512 119.627 119.070 0.075 0.000 2.267 644 H HA -0.188 4.367 4.556 -0.002 0.000 0.291 644 H C 2.377 177.776 175.328 0.117 0.000 1.094 644 H CA 1.633 57.753 56.048 0.121 0.000 1.227 644 H CB -0.566 29.249 29.762 0.090 0.000 1.351 644 H HN 0.197 nan 8.280 nan 0.000 0.483 645 I N 0.873 121.570 120.570 0.212 0.000 2.099 645 I HA -0.330 3.839 4.170 -0.002 0.000 0.239 645 I C 2.729 178.915 176.117 0.114 0.000 1.066 645 I CA 1.373 62.754 61.300 0.135 0.000 1.324 645 I CB -0.423 37.637 38.000 0.101 0.000 1.037 645 I HN 0.270 nan 8.210 nan 0.000 0.401 646 Q N 0.200 120.062 119.800 0.102 0.000 2.173 646 Q HA -0.312 4.027 4.340 -0.002 0.000 0.208 646 Q C 2.245 178.315 176.000 0.117 0.000 0.989 646 Q CA 1.750 57.607 55.803 0.091 0.000 0.872 646 Q CB -0.213 28.567 28.738 0.071 0.000 0.909 646 Q HN 0.592 nan 8.270 nan 0.000 0.420 647 Q N 0.188 120.091 119.800 0.172 0.000 2.084 647 Q HA -0.141 4.198 4.340 -0.002 0.000 0.202 647 Q C 2.210 178.344 176.000 0.224 0.000 0.978 647 Q CA 0.931 56.903 55.803 0.281 0.000 0.844 647 Q CB -0.114 28.912 28.738 0.480 0.000 0.898 647 Q HN 0.419 nan 8.270 nan 0.000 0.426 648 L N 0.587 121.845 121.223 0.059 0.000 2.013 648 L HA -0.252 4.087 4.340 -0.002 0.000 0.212 648 L C 2.293 179.140 176.870 -0.038 0.000 1.073 648 L CA 1.239 55.993 54.840 -0.142 0.000 0.753 648 L CB -0.423 41.581 42.059 -0.091 0.000 0.890 648 L HN 0.336 nan 8.230 nan 0.000 0.432 649 I N -0.465 120.124 120.570 0.032 0.000 2.530 649 I HA -0.273 3.896 4.170 -0.002 0.000 0.257 649 I C 2.059 178.208 176.117 0.053 0.000 1.179 649 I CA 1.079 62.405 61.300 0.045 0.000 1.440 649 I CB -0.448 37.588 38.000 0.060 0.000 1.087 649 I HN 0.381 nan 8.210 nan 0.000 0.440 650 E N 0.750 120.998 120.200 0.080 0.000 2.401 650 E HA -0.200 4.149 4.350 -0.002 0.000 0.199 650 E C 0.899 177.548 176.600 0.080 0.000 1.023 650 E CA 0.841 57.298 56.400 0.095 0.000 0.859 650 E CB 0.028 29.812 29.700 0.139 0.000 0.780 650 E HN 0.537 nan 8.360 nan 0.000 0.523 651 D N -0.335 120.093 120.400 0.047 0.000 2.423 651 D HA 0.026 4.665 4.640 -0.002 0.000 0.212 651 D C 1.328 177.612 176.300 -0.028 0.000 1.060 651 D CA 0.248 54.256 54.000 0.013 0.000 0.872 651 D CB 0.173 40.962 40.800 -0.017 0.000 1.012 651 D HN -0.017 nan 8.370 nan 0.000 0.503 652 K N 0.634 121.028 120.400 -0.011 0.000 2.097 652 K HA -0.102 4.217 4.320 -0.002 0.000 0.206 652 K C 0.799 177.403 176.600 0.006 0.000 1.049 652 K CA 1.010 57.293 56.287 -0.007 0.000 0.933 652 K CB 0.096 32.609 32.500 0.023 0.000 0.717 652 K HN 0.016 nan 8.250 nan 0.000 0.442 653 D N 0.339 120.755 120.400 0.026 0.000 2.348 653 D HA -0.047 4.592 4.640 -0.002 0.000 0.216 653 D C 0.959 177.292 176.300 0.055 0.000 0.970 653 D CA 0.603 54.628 54.000 0.043 0.000 0.889 653 D CB 0.142 40.972 40.800 0.049 0.000 0.912 653 D HN 0.085 nan 8.370 nan 0.000 0.524 654 R N -0.060 120.460 120.500 0.033 0.000 3.038 654 R HA 0.110 4.449 4.340 -0.002 0.000 0.263 654 R C 1.154 177.543 176.300 0.148 0.000 1.208 654 R CA -0.231 55.908 56.100 0.065 0.000 1.116 654 R CB -0.303 29.992 30.300 -0.008 0.000 1.045 654 R HN 0.142 nan 8.270 nan 0.000 0.549 655 Y N -0.033 120.286 120.300 0.032 0.000 2.841 655 Y HA -0.108 4.442 4.550 -0.002 0.000 0.504 655 Y C 0.861 176.784 175.900 0.037 0.000 1.401 655 Y CA 0.018 58.139 58.100 0.036 0.000 2.180 655 Y CB 0.209 38.688 38.460 0.030 0.000 1.800 655 Y HN 0.509 nan 8.280 nan 0.000 0.683 656 D N -0.620 119.927 120.400 0.245 0.000 2.656 656 D HA -0.027 4.612 4.640 -0.002 0.000 0.104 656 D C -1.412 174.954 176.300 0.109 0.000 0.903 656 D CA 0.389 54.470 54.000 0.135 0.000 0.888 656 D CB -1.340 39.526 40.800 0.109 0.000 0.760 656 D HN 0.508 nan 8.370 nan 0.000 0.434 657 I N -2.870 117.767 120.570 0.111 0.000 2.541 657 I HA 0.577 4.746 4.170 -0.002 0.000 0.320 657 I C -0.885 175.283 176.117 0.084 0.000 2.258 657 I CA -0.431 60.922 61.300 0.087 0.000 0.994 657 I CB -0.091 37.963 38.000 0.089 0.000 1.600 657 I HN -0.093 nan 8.210 nan 0.000 0.548 658 D N -0.224 120.222 120.400 0.077 0.000 3.236 658 D HA 0.525 5.164 4.640 -0.002 0.000 0.325 658 D C -2.935 173.406 176.300 0.069 0.000 1.352 658 D CA -0.595 53.447 54.000 0.068 0.000 0.979 658 D CB 1.788 42.617 40.800 0.048 0.000 1.410 658 D HN 0.512 nan 8.370 nan 0.000 0.588 659 P HA 0.211 nan 4.420 nan 0.000 0.249 659 P C -0.102 177.221 177.300 0.038 0.000 1.608 659 P CA -0.153 62.978 63.100 0.052 0.000 1.232 659 P CB 1.804 33.534 31.700 0.050 0.000 1.323 660 E N 2.129 122.349 120.200 0.033 0.000 3.657 660 E HA -0.260 4.089 4.350 -0.002 0.000 0.292 660 E C -0.338 176.300 176.600 0.064 0.000 1.536 660 E CA 0.963 57.388 56.400 0.042 0.000 2.225 660 E CB -1.305 28.422 29.700 0.045 0.000 1.996 660 E HN 0.546 nan 8.360 nan 0.000 0.444 661 Q N -0.803 119.049 119.800 0.085 0.000 3.586 661 Q HA -0.061 4.278 4.340 -0.002 0.000 0.128 661 Q C -0.943 175.146 176.000 0.148 0.000 0.915 661 Q CA 0.422 56.287 55.803 0.104 0.000 1.271 661 Q CB -0.458 28.334 28.738 0.090 0.000 0.883 661 Q HN 0.593 nan 8.270 nan 0.000 0.574 662 R N 2.447 123.029 120.500 0.138 0.000 3.716 662 R HA -0.036 4.303 4.340 -0.002 0.000 0.303 662 R C 0.677 177.097 176.300 0.201 0.000 0.831 662 R CA 0.425 56.631 56.100 0.177 0.000 0.969 662 R CB -1.382 28.949 30.300 0.052 0.000 0.957 662 R HN 0.469 nan 8.270 nan 0.000 0.374 663 F N 0.200 120.169 119.950 0.031 0.000 2.514 663 F HA 0.090 4.616 4.527 -0.002 0.000 0.319 663 F C 0.624 176.458 175.800 0.056 0.000 1.282 663 F CA -0.600 57.422 58.000 0.036 0.000 1.052 663 F CB 0.047 39.067 39.000 0.033 0.000 1.479 663 F HN 0.370 nan 8.300 nan 0.000 0.659 664 G N 4.218 112.955 108.800 -0.105 0.000 3.288 664 G HA2 0.224 4.183 3.960 -0.002 0.000 0.337 664 G HA3 0.224 4.183 3.960 -0.002 0.000 0.337 664 G C 0.087 175.048 174.900 0.101 0.000 1.142 664 G CA -0.050 44.973 45.100 -0.128 0.000 1.304 664 G HN 1.041 nan 8.290 nan 0.000 0.475 665 W N 1.053 122.257 121.300 -0.160 0.000 0.609 665 W HA -0.349 4.310 4.660 -0.002 0.000 0.217 665 W C 1.347 177.832 176.519 -0.057 0.000 0.921 665 W CA 1.772 59.058 57.345 -0.097 0.000 0.337 665 W CB -1.313 28.082 29.460 -0.108 0.000 1.916 665 W HN 0.495 nan 8.180 nan 0.000 1.242 666 T N 1.133 115.765 114.554 0.131 0.000 2.996 666 T HA 0.156 4.505 4.350 -0.002 0.000 0.271 666 T C 1.481 176.178 174.700 -0.004 0.000 1.126 666 T CA 2.931 65.063 62.100 0.054 0.000 1.103 666 T CB -0.362 68.550 68.868 0.072 0.000 0.870 666 T HN 0.488 nan 8.240 nan 0.000 0.528 667 A N -0.401 122.423 122.820 0.008 0.000 2.312 667 A HA 0.450 4.769 4.320 -0.002 0.000 0.215 667 A C 1.833 179.405 177.584 -0.020 0.000 1.256 667 A CA -0.286 51.776 52.037 0.041 0.000 0.966 667 A CB 0.021 19.138 19.000 0.195 0.000 1.053 667 A HN 0.457 nan 8.150 nan 0.000 0.510 668 L N 0.710 121.863 121.223 -0.117 0.000 2.642 668 L HA -0.102 4.237 4.340 -0.002 0.000 0.236 668 L C 1.638 178.328 176.870 -0.300 0.000 1.169 668 L CA 1.038 55.757 54.840 -0.202 0.000 0.851 668 L CB -0.309 41.578 42.059 -0.288 0.000 0.968 668 L HN 0.363 nan 8.230 nan 0.000 0.453 669 V N -3.312 116.426 119.914 -0.293 0.000 3.085 669 V HA -0.012 4.107 4.120 -0.002 0.000 0.245 669 V C 2.271 178.296 176.094 -0.114 0.000 1.114 669 V CA 0.941 63.106 62.300 -0.224 0.000 1.108 669 V CB 0.403 32.094 31.823 -0.221 0.000 0.798 669 V HN 0.275 nan 8.190 nan 0.000 0.471 670 S N 0.617 116.268 115.700 -0.082 0.000 2.500 670 S HA -0.095 4.374 4.470 -0.002 0.000 0.239 670 S C 1.567 176.153 174.600 -0.022 0.000 0.989 670 S CA 1.459 59.637 58.200 -0.037 0.000 0.951 670 S CB -0.227 62.966 63.200 -0.011 0.000 0.759 670 S HN 0.589 nan 8.310 nan 0.000 0.523 671 S N 0.112 115.793 115.700 -0.031 0.000 2.664 671 S HA 0.418 4.887 4.470 -0.002 0.000 0.245 671 S C 0.811 175.391 174.600 -0.033 0.000 1.019 671 S CA 0.044 58.236 58.200 -0.013 0.000 0.996 671 S CB 0.645 63.855 63.200 0.017 0.000 0.878 671 S HN 0.705 nan 8.310 nan 0.000 0.493 672 G N 1.810 110.582 108.800 -0.045 0.000 2.390 672 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.299 672 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.299 672 G C 0.477 175.347 174.900 -0.049 0.000 1.002 672 G CA 0.744 45.820 45.100 -0.041 0.000 0.979 672 G HN 0.538 nan 8.290 nan 0.000 0.513 673 L N -1.179 119.994 121.223 -0.083 0.000 2.262 673 L HA 0.352 4.691 4.340 -0.002 0.000 0.197 673 L C 1.343 178.203 176.870 -0.017 0.000 1.073 673 L CA 0.591 55.389 54.840 -0.070 0.000 0.800 673 L CB -0.085 41.892 42.059 -0.136 0.000 0.987 673 L HN 0.432 nan 8.230 nan 0.000 0.470 674 I N -2.505 117.986 120.570 -0.133 0.000 2.406 674 I HA 0.400 4.569 4.170 -0.002 0.000 0.290 674 I C -0.586 175.413 176.117 -0.197 0.000 0.999 674 I CA -0.612 60.559 61.300 -0.214 0.000 1.124 674 I CB 1.418 39.120 38.000 -0.497 0.000 1.289 674 I HN -0.034 nan 8.210 nan 0.000 0.441 675 E N 4.785 124.934 120.200 -0.085 0.000 2.175 675 E HA 0.332 4.681 4.350 -0.002 0.000 0.278 675 E C -1.440 175.128 176.600 -0.053 0.000 0.969 675 E CA -0.821 55.577 56.400 -0.003 0.000 0.796 675 E CB 1.393 31.168 29.700 0.125 0.000 1.104 675 E HN 0.528 nan 8.360 nan 0.000 0.395 676 Y N 2.212 122.456 120.300 -0.094 0.000 2.402 676 Y HA 0.103 4.652 4.550 -0.002 0.000 0.333 676 Y C 0.304 176.181 175.900 -0.040 0.000 1.076 676 Y CA 0.045 58.102 58.100 -0.072 0.000 1.299 676 Y CB 0.445 38.855 38.460 -0.083 0.000 1.197 676 Y HN 0.239 nan 8.280 nan 0.000 0.517 677 L N 4.003 125.271 121.223 0.075 0.000 2.307 677 L HA 0.279 4.618 4.340 -0.002 0.000 0.284 677 L C -0.023 176.895 176.870 0.080 0.000 1.023 677 L CA -0.865 53.995 54.840 0.033 0.000 0.810 677 L CB 1.499 43.510 42.059 -0.080 0.000 1.231 677 L HN 0.617 nan 8.230 nan 0.000 0.423 678 D N 1.719 122.163 120.400 0.074 0.000 2.398 678 D HA 0.218 4.857 4.640 -0.002 0.000 0.247 678 D C 0.822 177.163 176.300 0.068 0.000 1.227 678 D CA 0.191 54.234 54.000 0.071 0.000 0.980 678 D CB 1.648 42.487 40.800 0.066 0.000 1.106 678 D HN 0.574 nan 8.370 nan 0.000 0.493 679 A N 1.088 123.946 122.820 0.064 0.000 1.968 679 A HA -0.098 4.221 4.320 -0.002 0.000 0.217 679 A C 1.909 179.557 177.584 0.108 0.000 1.169 679 A CA 1.336 53.441 52.037 0.113 0.000 0.638 679 A CB -0.485 18.594 19.000 0.130 0.000 0.812 679 A HN 0.732 nan 8.150 nan 0.000 0.446 680 E N -0.840 119.392 120.200 0.052 0.000 2.385 680 E HA -0.067 4.282 4.350 -0.002 0.000 0.194 680 E C 1.786 178.422 176.600 0.059 0.000 1.013 680 E CA 0.488 56.911 56.400 0.038 0.000 0.866 680 E CB 0.057 29.753 29.700 -0.006 0.000 0.832 680 E HN 0.748 nan 8.360 nan 0.000 0.500 681 E N 0.487 120.724 120.200 0.061 0.000 2.274 681 E HA -0.174 4.175 4.350 -0.002 0.000 0.194 681 E C 1.488 178.103 176.600 0.025 0.000 0.996 681 E CA 0.654 57.083 56.400 0.047 0.000 0.840 681 E CB 0.263 29.989 29.700 0.044 0.000 0.772 681 E HN 0.152 nan 8.360 nan 0.000 0.491 682 E N 1.140 121.356 120.200 0.027 0.000 2.049 682 E HA -0.250 4.099 4.350 -0.002 0.000 0.198 682 E C 1.853 178.462 176.600 0.016 0.000 1.007 682 E CA 1.292 57.697 56.400 0.009 0.000 0.809 682 E CB -0.391 29.327 29.700 0.029 0.000 0.749 682 E HN 0.459 nan 8.360 nan 0.000 0.450 683 E N -0.099 120.123 120.200 0.038 0.000 2.136 683 E HA -0.222 4.127 4.350 -0.002 0.000 0.208 683 E C 1.829 178.444 176.600 0.024 0.000 1.035 683 E CA 1.823 58.244 56.400 0.036 0.000 0.838 683 E CB -0.265 29.462 29.700 0.046 0.000 0.748 683 E HN 0.151 nan 8.360 nan 0.000 0.459 684 T N 0.210 114.780 114.554 0.028 0.000 3.169 684 T HA 0.131 4.481 4.350 -0.002 0.000 0.250 684 T C 0.103 174.830 174.700 0.046 0.000 1.111 684 T CA -0.237 61.881 62.100 0.029 0.000 1.010 684 T CB 0.063 68.949 68.868 0.029 0.000 0.984 684 T HN -0.139 nan 8.240 nan 0.000 0.537 685 V N 1.528 121.469 119.914 0.046 0.000 3.103 685 V HA 0.704 4.823 4.120 -0.002 0.000 0.318 685 V C -0.388 175.759 176.094 0.088 0.000 1.114 685 V CA -1.207 61.145 62.300 0.086 0.000 1.020 685 V CB 1.871 33.713 31.823 0.031 0.000 1.085 685 V HN 0.338 nan 8.190 nan 0.000 0.446 686 M N 2.660 122.362 119.600 0.169 0.000 1.962 686 M HA 0.544 5.024 4.480 -0.002 0.000 0.227 686 M C -1.068 175.448 176.300 0.360 0.000 0.890 686 M CA 0.122 55.547 55.300 0.208 0.000 0.843 686 M CB 0.379 33.071 32.600 0.154 0.000 1.894 686 M HN 0.511 nan 8.290 nan 0.000 0.359 687 I N 1.781 122.473 120.570 0.203 0.000 2.945 687 I HA 0.665 4.834 4.170 -0.002 0.000 0.292 687 I C 0.665 176.732 176.117 -0.083 0.000 1.093 687 I CA -0.706 60.657 61.300 0.105 0.000 1.336 687 I CB 0.894 38.869 38.000 -0.042 0.000 1.435 687 I HN 0.664 nan 8.210 nan 0.000 0.593 688 A N 3.986 126.597 122.820 -0.349 0.000 2.288 688 A HA 0.627 4.946 4.320 -0.002 0.000 0.328 688 A C 0.507 177.819 177.584 -0.454 0.000 1.123 688 A CA -0.733 50.804 52.037 -0.834 0.000 0.861 688 A CB 1.578 19.938 19.000 -1.067 0.000 1.272 688 A HN 0.765 nan 8.150 nan 0.000 0.490 689 M N 0.208 119.540 119.600 -0.446 0.000 2.369 689 M HA 0.121 4.600 4.480 -0.002 0.000 0.254 689 M C 0.377 176.530 176.300 -0.245 0.000 1.136 689 M CA 1.319 56.454 55.300 -0.276 0.000 1.190 689 M CB -0.721 31.738 32.600 -0.235 0.000 1.289 689 M HN 0.791 nan 8.290 nan 0.000 0.468 690 S N 0.111 115.661 115.700 -0.250 0.000 2.536 690 S HA 0.424 4.893 4.470 -0.002 0.000 0.287 690 S C -1.994 172.493 174.600 -0.187 0.000 1.101 690 S CA -1.305 56.779 58.200 -0.194 0.000 0.950 690 S CB 1.848 64.956 63.200 -0.154 0.000 1.056 690 S HN 0.068 nan 8.310 nan 0.000 0.481 691 P HA -0.232 nan 4.420 nan 0.000 0.217 691 P C 0.962 178.200 177.300 -0.103 0.000 1.151 691 P CA 1.488 64.510 63.100 -0.130 0.000 0.849 691 P CB 0.111 31.749 31.700 -0.102 0.000 0.787 692 E N -0.207 119.945 120.200 -0.080 0.000 2.097 692 E HA -0.208 4.141 4.350 -0.002 0.000 0.196 692 E C 1.790 178.360 176.600 -0.049 0.000 1.000 692 E CA 1.415 57.786 56.400 -0.049 0.000 0.804 692 E CB -0.477 29.202 29.700 -0.034 0.000 0.740 692 E HN 0.320 nan 8.360 nan 0.000 0.454 693 D N 0.555 120.901 120.400 -0.090 0.000 2.117 693 D HA -0.123 4.516 4.640 -0.002 0.000 0.197 693 D C 2.075 178.352 176.300 -0.038 0.000 0.987 693 D CA 0.813 54.767 54.000 -0.075 0.000 0.829 693 D CB -0.184 40.518 40.800 -0.163 0.000 0.961 693 D HN 0.175 nan 8.370 nan 0.000 0.460 694 L N 0.747 121.897 121.223 -0.121 0.000 2.056 694 L HA -0.130 4.209 4.340 -0.002 0.000 0.207 694 L C 2.301 179.191 176.870 0.032 0.000 1.078 694 L CA 1.096 55.913 54.840 -0.040 0.000 0.749 694 L CB -0.389 41.598 42.059 -0.121 0.000 0.901 694 L HN -0.006 nan 8.230 nan 0.000 0.433 695 E N 0.387 120.583 120.200 -0.006 0.000 2.077 695 E HA -0.203 4.146 4.350 -0.002 0.000 0.193 695 E C 2.341 178.950 176.600 0.015 0.000 0.989 695 E CA 1.135 57.536 56.400 0.002 0.000 0.800 695 E CB -0.202 29.496 29.700 -0.004 0.000 0.746 695 E HN 0.500 nan 8.360 nan 0.000 0.452 696 A N 1.559 124.395 122.820 0.027 0.000 1.902 696 A HA -0.208 4.111 4.320 -0.002 0.000 0.217 696 A C 2.365 179.972 177.584 0.038 0.000 1.181 696 A CA 1.914 53.973 52.037 0.037 0.000 0.623 696 A CB -0.649 18.374 19.000 0.039 0.000 0.818 696 A HN 0.333 nan 8.150 nan 0.000 0.443 697 S N -0.148 115.598 115.700 0.077 0.000 2.383 697 S HA -0.207 4.262 4.470 -0.002 0.000 0.227 697 S C 2.041 176.656 174.600 0.026 0.000 1.026 697 S CA 1.249 59.499 58.200 0.084 0.000 0.981 697 S CB -0.476 62.856 63.200 0.221 0.000 0.818 697 S HN 0.647 nan 8.310 nan 0.000 0.472 698 R N 1.284 121.794 120.500 0.015 0.000 2.092 698 R HA -0.053 4.286 4.340 -0.002 0.000 0.231 698 R C 2.438 178.644 176.300 -0.155 0.000 1.119 698 R CA 1.536 57.611 56.100 -0.043 0.000 0.970 698 R CB -0.289 29.992 30.300 -0.032 0.000 0.864 698 R HN 0.613 nan 8.270 nan 0.000 0.440 699 Q N -0.449 119.245 119.800 -0.177 0.000 2.172 699 Q HA -0.085 4.254 4.340 -0.002 0.000 0.200 699 Q C 2.124 177.941 176.000 -0.305 0.000 0.964 699 Q CA 1.164 56.728 55.803 -0.398 0.000 0.855 699 Q CB 0.030 28.698 28.738 -0.116 0.000 0.918 699 Q HN 0.331 nan 8.270 nan 0.000 0.444 700 M N 0.468 120.011 119.600 -0.096 0.000 2.175 700 M HA -0.153 4.326 4.480 -0.002 0.000 0.264 700 M C 1.769 178.046 176.300 -0.038 0.000 1.063 700 M CA 1.439 56.723 55.300 -0.028 0.000 1.119 700 M CB -0.783 31.809 32.600 -0.013 0.000 1.377 700 M HN 0.241 nan 8.290 nan 0.000 0.415 701 Q N -0.329 119.438 119.800 -0.055 0.000 2.592 701 Q HA -0.097 4.242 4.340 -0.002 0.000 0.219 701 Q C 1.086 177.064 176.000 -0.036 0.000 0.984 701 Q CA 1.189 56.982 55.803 -0.017 0.000 0.911 701 Q CB -0.164 28.565 28.738 -0.016 0.000 0.962 701 Q HN 0.574 nan 8.270 nan 0.000 0.532 702 A N -1.163 121.614 122.820 -0.071 0.000 2.733 702 A HA 0.462 4.781 4.320 -0.002 0.000 0.232 702 A C 0.443 178.102 177.584 0.124 0.000 1.251 702 A CA 0.205 52.234 52.037 -0.013 0.000 1.015 702 A CB 0.637 19.588 19.000 -0.082 0.000 1.291 702 A HN 0.218 nan 8.150 nan 0.000 0.595 703 G N -0.221 108.655 108.800 0.127 0.000 3.316 703 G HA2 -0.019 3.940 3.960 -0.002 0.000 0.445 703 G HA3 -0.019 3.940 3.960 -0.002 0.000 0.445 703 G C -1.013 174.211 174.900 0.540 0.000 1.002 703 G CA -0.133 45.100 45.100 0.223 0.000 0.818 703 G HN 0.724 nan 8.290 nan 0.000 0.404 704 Y N 0.701 121.006 120.300 0.007 0.000 2.433 704 Y HA 0.389 4.938 4.550 -0.002 0.000 0.337 704 Y C 0.786 176.690 175.900 0.005 0.000 1.026 704 Y CA -1.649 56.456 58.100 0.007 0.000 1.037 704 Y CB 1.317 39.782 38.460 0.010 0.000 1.245 704 Y HN 0.747 nan 8.280 nan 0.000 0.443 705 E N 1.102 121.342 120.200 0.067 0.000 2.598 705 E HA -0.056 4.293 4.350 -0.002 0.000 0.273 705 E C 0.392 177.029 176.600 0.063 0.000 1.029 705 E CA 0.490 56.913 56.400 0.038 0.000 0.985 705 E CB 1.139 30.837 29.700 -0.005 0.000 0.988 705 E HN 0.503 nan 8.360 nan 0.000 0.460 706 V N 1.789 121.728 119.914 0.042 0.000 2.672 706 V HA -0.064 4.055 4.120 -0.002 0.000 0.242 706 V C -0.235 175.877 176.094 0.031 0.000 1.059 706 V CA 0.732 63.056 62.300 0.039 0.000 1.081 706 V CB -0.203 31.637 31.823 0.028 0.000 0.752 706 V HN 0.710 nan 8.190 nan 0.000 0.472 707 K N 1.596 122.009 120.400 0.022 0.000 4.278 707 K HA -0.176 4.143 4.320 -0.002 0.000 0.306 707 K C 0.179 176.790 176.600 0.018 0.000 1.041 707 K CA 1.061 57.358 56.287 0.018 0.000 0.957 707 K CB -1.918 30.594 32.500 0.019 0.000 1.522 707 K HN 0.730 nan 8.250 nan 0.000 0.437 708 E N 0.266 120.475 120.200 0.015 0.000 2.498 708 E HA 0.021 4.370 4.350 -0.002 0.000 0.203 708 E C 0.223 176.832 176.600 0.014 0.000 1.013 708 E CA -0.045 56.364 56.400 0.015 0.000 0.927 708 E CB 0.352 30.061 29.700 0.014 0.000 1.012 708 E HN 0.384 nan 8.360 nan 0.000 0.482 709 E N 0.464 120.672 120.200 0.013 0.000 2.496 709 E HA 0.158 4.507 4.350 -0.002 0.000 0.200 709 E C 0.829 177.436 176.600 0.013 0.000 1.016 709 E CA 0.006 56.413 56.400 0.012 0.000 0.962 709 E CB 0.531 30.237 29.700 0.010 0.000 1.071 709 E HN 0.181 nan 8.360 nan 0.000 0.457 710 L N -0.235 120.996 121.223 0.014 0.000 2.902 710 L HA 0.191 4.530 4.340 -0.002 0.000 0.254 710 L C 0.124 177.005 176.870 0.018 0.000 1.115 710 L CA -0.175 54.674 54.840 0.015 0.000 0.947 710 L CB 0.621 42.689 42.059 0.014 0.000 1.369 710 L HN -0.022 nan 8.230 nan 0.000 0.538 711 D N 2.760 123.172 120.400 0.019 0.000 2.399 711 D HA 0.280 4.919 4.640 -0.002 0.000 0.241 711 D C -2.024 174.290 176.300 0.023 0.000 1.133 711 D CA -0.415 53.598 54.000 0.022 0.000 0.890 711 D CB 0.727 41.541 40.800 0.022 0.000 1.201 711 D HN 0.058 nan 8.370 nan 0.000 0.432 712 P HA 0.419 nan 4.420 nan 0.000 0.305 712 P C -1.399 175.922 177.300 0.034 0.000 1.390 712 P CA -0.780 62.337 63.100 0.029 0.000 1.054 712 P CB 1.458 33.175 31.700 0.029 0.000 1.335 713 A N 2.493 125.334 122.820 0.036 0.000 2.062 713 A HA -0.081 4.238 4.320 -0.002 0.000 0.330 713 A C 0.125 177.739 177.584 0.049 0.000 0.781 713 A CA 1.220 53.283 52.037 0.043 0.000 1.457 713 A CB -1.079 17.950 19.000 0.048 0.000 0.630 713 A HN 0.574 nan 8.150 nan 0.000 0.241 714 Q N 0.588 120.416 119.800 0.046 0.000 2.919 714 Q HA 0.326 4.665 4.340 -0.002 0.000 0.323 714 Q C -0.971 175.051 176.000 0.036 0.000 0.829 714 Q CA -1.239 54.592 55.803 0.047 0.000 0.803 714 Q CB 0.884 29.648 28.738 0.043 0.000 1.423 714 Q HN 0.653 nan 8.270 nan 0.000 0.478 715 R N 0.865 121.385 120.500 0.032 0.000 2.605 715 R HA 0.169 4.508 4.340 -0.002 0.000 0.271 715 R C -0.576 175.739 176.300 0.025 0.000 1.418 715 R CA 0.012 56.127 56.100 0.025 0.000 1.102 715 R CB -0.704 29.620 30.300 0.041 0.000 1.131 715 R HN 0.216 nan 8.270 nan 0.000 0.554 716 V N 4.742 124.669 119.914 0.022 0.000 2.596 716 V HA -0.182 3.937 4.120 -0.002 0.000 0.260 716 V C 0.770 176.874 176.094 0.017 0.000 0.968 716 V CA 0.780 63.092 62.300 0.020 0.000 1.172 716 V CB -0.831 31.003 31.823 0.019 0.000 1.014 716 V HN 0.527 nan 8.190 nan 0.000 0.468 717 K N 6.727 127.136 120.400 0.014 0.000 2.234 717 K HA 0.248 4.567 4.320 -0.002 0.000 0.251 717 K C -2.018 174.588 176.600 0.010 0.000 1.011 717 K CA -0.964 55.328 56.287 0.009 0.000 0.889 717 K CB -0.118 32.383 32.500 0.001 0.000 1.011 717 K HN 0.376 nan 8.250 nan 0.000 0.505 718 P HA 0.270 nan 4.420 nan 0.000 0.262 718 P C -1.545 175.764 177.300 0.014 0.000 1.620 718 P CA -0.358 62.749 63.100 0.012 0.000 1.089 718 P CB 0.963 32.671 31.700 0.015 0.000 1.601 719 A N 4.828 127.654 122.820 0.010 0.000 2.306 719 A HA 0.699 5.019 4.320 -0.002 0.000 0.330 719 A C -1.332 176.251 177.584 -0.001 0.000 1.146 719 A CA -0.938 51.105 52.037 0.010 0.000 0.827 719 A CB 0.161 19.168 19.000 0.011 0.000 1.178 719 A HN 0.281 nan 8.150 nan 0.000 0.490 720 P HA 0.205 nan 4.420 nan 0.000 0.206 720 P C -0.364 176.946 177.300 0.017 0.000 1.198 720 P CA 0.501 63.603 63.100 0.003 0.000 0.902 720 P CB 0.302 31.997 31.700 -0.008 0.000 0.740 721 N N -1.145 117.548 118.700 -0.011 0.000 2.752 721 N HA 0.229 4.969 4.740 -0.002 0.000 0.268 721 N C -3.013 172.438 175.510 -0.099 0.000 1.190 721 N CA -1.297 51.755 53.050 0.004 0.000 0.897 721 N CB 0.622 39.150 38.487 0.068 0.000 1.515 721 N HN -0.199 nan 8.380 nan 0.000 0.567 722 P HA 0.167 nan 4.420 nan 0.000 0.263 722 P C 0.024 177.213 177.300 -0.185 0.000 1.247 722 P CA 0.578 63.566 63.100 -0.187 0.000 0.876 722 P CB -0.045 31.654 31.700 -0.000 0.000 0.928 723 H N 0.528 119.488 119.070 -0.183 0.000 1.452 723 H HA -0.240 4.315 4.556 -0.002 0.000 0.090 723 H C 0.221 175.317 175.328 -0.386 0.000 0.789 723 H CA 0.926 56.804 56.048 -0.284 0.000 1.901 723 H CB -1.649 27.992 29.762 -0.201 0.000 2.257 723 H HN 0.243 nan 8.280 nan 0.000 0.961 724 V N 2.296 122.072 119.914 -0.230 0.000 4.697 724 V HA -0.257 3.862 4.120 -0.002 0.000 0.409 724 V C 1.499 177.322 176.094 -0.451 0.000 0.683 724 V CA 1.482 63.533 62.300 -0.415 0.000 1.630 724 V CB -0.776 30.650 31.823 -0.662 0.000 1.964 724 V HN 0.712 nan 8.190 nan 0.000 0.478 725 H N 1.606 120.533 119.070 -0.240 0.000 2.372 725 H HA 0.374 4.929 4.556 -0.002 0.000 0.301 725 H C 1.034 176.245 175.328 -0.195 0.000 1.065 725 H CA 1.541 57.485 56.048 -0.173 0.000 1.364 725 H CB 0.703 30.401 29.762 -0.108 0.000 1.406 725 H HN 0.882 nan 8.280 nan 0.000 0.521 726 A N -0.334 122.415 122.820 -0.118 0.000 2.539 726 A HA 0.450 4.769 4.320 -0.002 0.000 0.296 726 A C -1.406 176.059 177.584 -0.200 0.000 1.073 726 A CA -0.692 51.282 52.037 -0.105 0.000 0.700 726 A CB 1.091 20.087 19.000 -0.005 0.000 1.296 726 A HN 0.180 nan 8.150 nan 0.000 0.405 727 W N -0.322 120.977 121.300 -0.003 0.000 2.353 727 W HA 0.622 5.281 4.660 -0.002 0.000 0.377 727 W C 1.431 177.942 176.519 -0.013 0.000 1.375 727 W CA 0.477 57.820 57.345 -0.003 0.000 1.503 727 W CB 1.448 30.904 29.460 -0.007 0.000 1.345 727 W HN 0.690 nan 8.180 nan 0.000 0.683 728 T N -1.703 113.045 114.554 0.323 0.000 3.182 728 T HA 0.152 4.501 4.350 -0.002 0.000 0.244 728 T C -0.518 174.140 174.700 -0.069 0.000 0.981 728 T CA 0.632 62.797 62.100 0.109 0.000 1.182 728 T CB -0.255 68.722 68.868 0.181 0.000 1.043 728 T HN 0.287 nan 8.240 nan 0.000 0.424 729 H N -0.534 118.606 119.070 0.116 0.000 2.834 729 H HA 0.698 5.253 4.556 -0.002 0.000 0.369 729 H C -0.983 174.357 175.328 0.021 0.000 1.174 729 H CA -0.956 55.134 56.048 0.069 0.000 1.165 729 H CB 1.511 31.299 29.762 0.044 0.000 1.820 729 H HN 0.289 nan 8.280 nan 0.000 0.558 730 C N 1.771 121.166 119.300 0.157 0.000 2.482 730 C HA 0.454 4.913 4.460 -0.002 0.000 0.317 730 C C -0.123 174.925 174.990 0.096 0.000 1.197 730 C CA -0.576 58.460 59.018 0.030 0.000 1.432 730 C CB 0.253 27.950 27.740 -0.072 0.000 2.062 730 C HN 0.957 nan 8.230 nan 0.000 0.471 731 E N 3.148 123.356 120.200 0.013 0.000 2.465 731 E HA 0.102 4.451 4.350 -0.002 0.000 0.260 731 E C 1.304 177.909 176.600 0.008 0.000 0.980 731 E CA 0.353 56.762 56.400 0.016 0.000 0.927 731 E CB 0.464 30.208 29.700 0.073 0.000 0.934 731 E HN 0.576 nan 8.360 nan 0.000 0.459 732 I N 1.774 122.287 120.570 -0.094 0.000 2.151 732 I HA -0.089 4.080 4.170 -0.002 0.000 0.243 732 I C 0.839 176.927 176.117 -0.049 0.000 1.080 732 I CA 1.281 62.515 61.300 -0.110 0.000 1.339 732 I CB -0.361 37.430 38.000 -0.348 0.000 1.039 732 I HN 0.526 nan 8.210 nan 0.000 0.409 733 H N -0.582 118.330 119.070 -0.263 0.000 3.114 733 H HA 0.255 4.810 4.556 -0.002 0.000 0.325 733 H C -2.607 172.545 175.328 -0.293 0.000 1.206 733 H CA -1.098 54.752 56.048 -0.330 0.000 1.316 733 H CB 1.670 31.063 29.762 -0.615 0.000 1.981 733 H HN -0.290 nan 8.280 nan 0.000 0.527 734 P HA 0.137 nan 4.420 nan 0.000 0.245 734 P C 0.323 177.458 177.300 -0.275 0.000 1.212 734 P CA 1.002 63.818 63.100 -0.472 0.000 0.774 734 P CB 0.312 31.485 31.700 -0.878 0.000 0.999 735 A N -1.331 121.577 122.820 0.146 0.000 2.308 735 A HA 0.185 4.504 4.320 -0.002 0.000 0.217 735 A C 1.587 179.283 177.584 0.186 0.000 1.216 735 A CA 0.399 52.655 52.037 0.364 0.000 0.864 735 A CB -0.647 18.775 19.000 0.703 0.000 0.902 735 A HN -0.017 nan 8.150 nan 0.000 0.499 736 M N -0.111 119.499 119.600 0.018 0.000 2.428 736 M HA 0.304 4.783 4.480 -0.002 0.000 0.239 736 M C 0.586 176.812 176.300 -0.123 0.000 1.121 736 M CA 0.498 55.778 55.300 -0.033 0.000 1.019 736 M CB -0.548 31.975 32.600 -0.127 0.000 1.485 736 M HN 0.396 nan 8.290 nan 0.000 0.484 737 I N 0.652 121.101 120.570 -0.201 0.000 3.702 737 I HA 0.034 4.203 4.170 -0.002 0.000 0.305 737 I C -0.402 175.610 176.117 -0.175 0.000 1.346 737 I CA 0.017 61.115 61.300 -0.336 0.000 1.258 737 I CB -0.700 36.934 38.000 -0.609 0.000 1.121 737 I HN 0.004 nan 8.210 nan 0.000 0.437 738 L N 0.170 121.352 121.223 -0.069 0.000 2.354 738 L HA 0.639 4.978 4.340 -0.002 0.000 0.264 738 L C 0.890 177.757 176.870 -0.005 0.000 1.008 738 L CA -0.342 54.486 54.840 -0.020 0.000 0.819 738 L CB 1.613 43.691 42.059 0.030 0.000 1.339 738 L HN 0.129 nan 8.230 nan 0.000 0.420 739 G N 1.020 109.818 108.800 -0.003 0.000 2.771 739 G HA2 0.057 4.016 3.960 -0.002 0.000 0.242 739 G HA3 0.057 4.016 3.960 -0.002 0.000 0.242 739 G C 0.842 175.755 174.900 0.022 0.000 1.233 739 G CA -0.209 44.897 45.100 0.010 0.000 0.858 739 G HN 0.669 nan 8.290 nan 0.000 0.591 740 I N 0.048 120.639 120.570 0.034 0.000 2.584 740 I HA 0.089 4.259 4.170 -0.002 0.000 0.255 740 I C 2.138 178.271 176.117 0.026 0.000 1.145 740 I CA 0.993 62.319 61.300 0.042 0.000 1.462 740 I CB -0.024 38.011 38.000 0.058 0.000 1.102 740 I HN 0.455 nan 8.210 nan 0.000 0.433 741 L N 0.281 121.519 121.223 0.025 0.000 2.513 741 L HA 0.219 4.558 4.340 -0.002 0.000 0.222 741 L C 2.201 179.065 176.870 -0.009 0.000 1.096 741 L CA 0.752 55.605 54.840 0.023 0.000 0.857 741 L CB -0.040 42.045 42.059 0.044 0.000 1.026 741 L HN 0.140 nan 8.230 nan 0.000 0.469 742 A N -1.712 121.101 122.820 -0.012 0.000 2.178 742 A HA 0.062 4.381 4.320 -0.002 0.000 0.211 742 A C 1.973 179.533 177.584 -0.040 0.000 1.157 742 A CA 0.653 52.674 52.037 -0.025 0.000 0.780 742 A CB -0.137 18.855 19.000 -0.015 0.000 0.828 742 A HN 0.315 nan 8.150 nan 0.000 0.476 743 S N 0.104 115.779 115.700 -0.042 0.000 2.701 743 S HA 0.110 4.579 4.470 -0.002 0.000 0.220 743 S C 1.164 175.689 174.600 -0.125 0.000 0.954 743 S CA 0.553 58.725 58.200 -0.046 0.000 0.936 743 S CB -0.525 62.668 63.200 -0.012 0.000 0.777 743 S HN 0.762 nan 8.310 nan 0.000 0.518 744 I N -0.765 119.699 120.570 -0.177 0.000 3.974 744 I HA 0.469 4.638 4.170 -0.002 0.000 0.334 744 I C 0.118 176.125 176.117 -0.183 0.000 1.437 744 I CA -0.438 60.667 61.300 -0.324 0.000 1.113 744 I CB 0.141 37.803 38.000 -0.563 0.000 1.063 744 I HN 0.103 nan 8.210 nan 0.000 0.400 745 I N 0.800 121.303 120.570 -0.112 0.000 2.330 745 I HA 0.646 4.815 4.170 -0.002 0.000 0.289 745 I C -2.687 173.400 176.117 -0.049 0.000 1.001 745 I CA -2.233 59.007 61.300 -0.101 0.000 1.193 745 I CB 1.091 39.001 38.000 -0.151 0.000 1.345 745 I HN -0.188 nan 8.210 nan 0.000 0.461 746 P HA 0.037 nan 4.420 nan 0.000 0.263 746 P C -0.565 176.927 177.300 0.321 0.000 1.175 746 P CA 0.449 63.696 63.100 0.245 0.000 0.761 746 P CB -0.046 31.819 31.700 0.274 0.000 0.794 747 F N 0.961 120.892 119.950 -0.033 0.000 3.079 747 F HA -0.196 4.330 4.527 -0.001 0.000 0.274 747 F C -1.090 174.693 175.800 -0.029 0.000 0.940 747 F CA 0.225 58.224 58.000 -0.003 0.000 0.932 747 F CB -2.784 36.239 39.000 0.039 0.000 0.891 747 F HN 0.408 nan 8.300 nan 0.000 0.722 748 P HA -0.220 nan 4.420 nan 0.000 0.214 748 P C 0.785 178.052 177.300 -0.055 0.000 1.164 748 P CA 1.939 65.016 63.100 -0.038 0.000 0.942 748 P CB 0.107 31.765 31.700 -0.070 0.000 0.791 749 D N -1.681 118.569 120.400 -0.250 0.000 2.429 749 D HA -0.007 4.632 4.640 -0.002 0.000 0.253 749 D C 0.333 176.533 176.300 -0.166 0.000 1.294 749 D CA 0.684 54.505 54.000 -0.298 0.000 1.063 749 D CB -0.992 39.353 40.800 -0.757 0.000 1.096 749 D HN 0.315 nan 8.370 nan 0.000 0.516 750 H N 0.684 119.735 119.070 -0.031 0.000 2.124 750 H HA 0.020 4.575 4.556 -0.002 0.000 0.144 750 H C 0.090 175.453 175.328 0.058 0.000 1.032 750 H CA -0.469 55.600 56.048 0.035 0.000 0.598 750 H CB 0.092 29.919 29.762 0.108 0.000 0.737 750 H HN 0.158 nan 8.280 nan 0.000 0.390 751 N N 0.461 119.266 118.700 0.175 0.000 2.476 751 N HA 0.037 4.776 4.740 -0.002 0.000 0.287 751 N C 0.856 176.428 175.510 0.103 0.000 1.262 751 N CA -0.100 53.034 53.050 0.141 0.000 0.980 751 N CB 0.639 39.203 38.487 0.127 0.000 1.163 751 N HN 0.262 nan 8.380 nan 0.000 0.592 752 Q N 0.136 119.992 119.800 0.094 0.000 2.444 752 Q HA 0.014 4.353 4.340 -0.002 0.000 0.206 752 Q C -0.203 175.843 176.000 0.076 0.000 0.948 752 Q CA 0.398 56.247 55.803 0.076 0.000 0.946 752 Q CB 0.174 28.952 28.738 0.067 0.000 1.027 752 Q HN 0.641 nan 8.270 nan 0.000 0.513 753 S N -1.056 114.693 115.700 0.082 0.000 2.512 753 S HA -0.156 4.314 4.470 -0.002 0.000 0.252 753 S C -1.770 172.886 174.600 0.092 0.000 1.147 753 S CA 0.765 59.007 58.200 0.070 0.000 2.484 753 S CB -1.978 61.255 63.200 0.054 0.000 0.785 753 S HN 0.386 nan 8.310 nan 0.000 0.482 754 P HA -0.126 nan 4.420 nan 0.000 0.217 754 P C 1.314 178.853 177.300 0.398 0.000 1.151 754 P CA 1.750 64.964 63.100 0.189 0.000 0.849 754 P CB -0.127 31.693 31.700 0.200 0.000 0.787 755 R N -1.092 119.596 120.500 0.313 0.000 2.115 755 R HA -0.026 4.313 4.340 -0.002 0.000 0.230 755 R C 1.873 178.368 176.300 0.325 0.000 1.111 755 R CA 0.827 57.131 56.100 0.340 0.000 0.976 755 R CB -1.884 28.502 30.300 0.143 0.000 0.870 755 R HN 0.285 nan 8.270 nan 0.000 0.445 756 N N 0.272 119.077 118.700 0.175 0.000 2.084 756 N HA -0.131 4.608 4.740 -0.002 0.000 0.190 756 N C 1.669 177.210 175.510 0.052 0.000 1.030 756 N CA 1.732 54.834 53.050 0.086 0.000 0.849 756 N CB -0.609 37.905 38.487 0.045 0.000 1.012 756 N HN 0.157 nan 8.380 nan 0.000 0.423 757 T N 0.538 115.086 114.554 -0.010 0.000 2.760 757 T HA -0.149 4.200 4.350 -0.002 0.000 0.269 757 T C 0.537 175.121 174.700 -0.193 0.000 1.047 757 T CA 1.204 63.208 62.100 -0.161 0.000 1.139 757 T CB -0.200 68.478 68.868 -0.318 0.000 0.855 757 T HN 0.167 nan 8.240 nan 0.000 0.471 758 Y N 0.318 120.622 120.300 0.007 0.000 2.330 758 Y HA 0.259 4.808 4.550 -0.001 0.000 0.387 758 Y C 1.888 177.792 175.900 0.006 0.000 1.365 758 Y CA -0.223 57.884 58.100 0.012 0.000 1.828 758 Y CB -0.074 38.398 38.460 0.021 0.000 1.696 758 Y HN -0.080 nan 8.280 nan 0.000 0.616 759 Q N -0.782 119.143 119.800 0.209 0.000 2.108 759 Q HA -0.331 4.009 4.340 -0.002 0.000 0.173 759 Q C 1.680 177.721 176.000 0.068 0.000 2.879 759 Q CA 2.559 58.424 55.803 0.103 0.000 0.364 759 Q CB -1.730 27.040 28.738 0.053 0.000 0.359 759 Q HN 0.829 nan 8.270 nan 0.000 0.457 760 S N 0.299 116.028 115.700 0.050 0.000 2.345 760 S HA 0.064 4.533 4.470 -0.002 0.000 0.220 760 S C 1.820 176.444 174.600 0.040 0.000 1.031 760 S CA 2.055 60.273 58.200 0.031 0.000 0.996 760 S CB -0.590 62.615 63.200 0.007 0.000 0.882 760 S HN 0.697 nan 8.310 nan 0.000 0.445 761 A N 1.724 124.562 122.820 0.030 0.000 1.930 761 A HA 0.017 4.336 4.320 -0.002 0.000 0.217 761 A C 2.153 179.769 177.584 0.053 0.000 1.175 761 A CA 1.277 53.333 52.037 0.031 0.000 0.627 761 A CB -0.500 18.500 19.000 0.000 0.000 0.815 761 A HN 0.362 nan 8.150 nan 0.000 0.443 762 M N -0.750 118.896 119.600 0.077 0.000 2.288 762 M HA -0.013 4.467 4.480 -0.002 0.000 0.266 762 M C 2.341 178.681 176.300 0.067 0.000 1.072 762 M CA 1.207 56.556 55.300 0.083 0.000 1.132 762 M CB -1.639 31.028 32.600 0.111 0.000 1.386 762 M HN 0.473 nan 8.290 nan 0.000 0.432 763 G N 1.572 110.416 108.800 0.073 0.000 2.513 763 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.219 763 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.219 763 G C 1.626 176.580 174.900 0.091 0.000 1.160 763 G CA 1.070 46.221 45.100 0.086 0.000 0.767 763 G HN 0.464 nan 8.290 nan 0.000 0.571 764 K N 0.231 120.680 120.400 0.082 0.000 2.286 764 K HA -0.125 4.194 4.320 -0.002 0.000 0.203 764 K C 2.160 178.790 176.600 0.050 0.000 1.045 764 K CA 1.218 57.559 56.287 0.091 0.000 0.935 764 K CB -0.100 32.455 32.500 0.092 0.000 0.737 764 K HN 0.407 nan 8.250 nan 0.000 0.460 765 Q N 0.256 120.055 119.800 -0.002 0.000 2.247 765 Q HA 0.201 4.540 4.340 -0.002 0.000 0.205 765 Q C 0.196 176.159 176.000 -0.061 0.000 0.896 765 Q CA -0.492 55.258 55.803 -0.090 0.000 0.950 765 Q CB 0.635 29.353 28.738 -0.034 0.000 1.054 765 Q HN 0.258 nan 8.270 nan 0.000 0.482 766 A N 0.946 123.777 122.820 0.019 0.000 2.267 766 A HA 0.529 4.848 4.320 -0.002 0.000 0.276 766 A C -0.092 177.513 177.584 0.036 0.000 1.336 766 A CA -0.099 51.964 52.037 0.043 0.000 0.815 766 A CB 0.488 19.556 19.000 0.113 0.000 1.256 766 A HN 0.366 nan 8.150 nan 0.000 0.512 767 M N -1.774 117.866 119.600 0.066 0.000 2.378 767 M HA 0.566 5.045 4.480 -0.002 0.000 0.289 767 M C -0.276 176.073 176.300 0.083 0.000 1.136 767 M CA 0.429 55.770 55.300 0.068 0.000 0.917 767 M CB 2.260 34.889 32.600 0.047 0.000 1.669 767 M HN 1.299 nan 8.290 nan 0.000 0.461 768 G N 1.411 110.255 108.800 0.073 0.000 2.336 768 G HA2 0.372 4.331 3.960 -0.002 0.000 0.286 768 G HA3 0.372 4.331 3.960 -0.002 0.000 0.286 768 G C -2.037 172.886 174.900 0.037 0.000 1.269 768 G CA -0.763 44.360 45.100 0.038 0.000 0.873 768 G HN 0.574 nan 8.290 nan 0.000 0.494 769 V N 1.526 121.428 119.914 -0.020 0.000 2.432 769 V HA 0.358 4.477 4.120 -0.002 0.000 0.275 769 V C 0.862 176.968 176.094 0.021 0.000 1.043 769 V CA 0.223 62.499 62.300 -0.039 0.000 0.925 769 V CB 0.428 32.191 31.823 -0.100 0.000 0.985 769 V HN 0.823 nan 8.190 nan 0.000 0.466 770 Y N 4.092 124.387 120.300 -0.009 0.000 2.509 770 Y HA 0.681 5.230 4.550 -0.002 0.000 0.270 770 Y C 0.184 176.177 175.900 0.155 0.000 1.103 770 Y CA -0.456 57.704 58.100 0.099 0.000 1.278 770 Y CB 0.391 38.884 38.460 0.055 0.000 1.087 770 Y HN 0.332 nan 8.280 nan 0.000 0.542 771 L N 0.408 121.420 121.223 -0.352 0.000 2.611 771 L HA 0.150 4.489 4.340 -0.002 0.000 0.260 771 L C 0.619 177.368 176.870 -0.203 0.000 0.924 771 L CA -0.413 54.287 54.840 -0.233 0.000 0.901 771 L CB 2.078 43.995 42.059 -0.236 0.000 1.369 771 L HN -0.066 nan 8.230 nan 0.000 0.415 772 T N 0.302 114.804 114.554 -0.087 0.000 2.918 772 T HA -0.110 4.239 4.350 -0.002 0.000 0.271 772 T C 0.976 175.581 174.700 -0.158 0.000 1.104 772 T CA 2.125 64.189 62.100 -0.060 0.000 1.114 772 T CB -0.284 68.651 68.868 0.111 0.000 0.855 772 T HN 0.669 nan 8.240 nan 0.000 0.518 773 N N 0.694 119.299 118.700 -0.158 0.000 2.535 773 N HA 0.102 4.841 4.740 -0.002 0.000 0.294 773 N C 0.675 176.010 175.510 -0.292 0.000 1.408 773 N CA -0.618 52.302 53.050 -0.218 0.000 0.927 773 N CB -0.855 37.589 38.487 -0.071 0.000 1.276 773 N HN 0.562 nan 8.380 nan 0.000 0.505 774 Y N -0.734 119.373 120.300 -0.321 0.000 2.373 774 Y HA 0.104 4.653 4.550 -0.001 0.000 0.293 774 Y C 1.730 177.460 175.900 -0.284 0.000 1.129 774 Y CA 0.670 58.548 58.100 -0.371 0.000 1.226 774 Y CB -0.362 37.777 38.460 -0.535 0.000 1.000 774 Y HN 0.099 nan 8.280 nan 0.000 0.549 775 Q N 0.150 119.434 119.800 -0.860 0.000 2.226 775 Q HA -0.114 4.225 4.340 -0.002 0.000 0.204 775 Q C 2.323 178.168 176.000 -0.258 0.000 0.975 775 Q CA 1.674 57.149 55.803 -0.546 0.000 0.866 775 Q CB -0.154 28.225 28.738 -0.599 0.000 0.915 775 Q HN 0.552 nan 8.270 nan 0.000 0.440 776 V N 0.464 120.246 119.914 -0.220 0.000 2.795 776 V HA -0.009 4.110 4.120 -0.002 0.000 0.243 776 V C 1.025 177.078 176.094 -0.069 0.000 1.069 776 V CA 0.159 62.389 62.300 -0.117 0.000 1.089 776 V CB 0.105 31.870 31.823 -0.097 0.000 0.756 776 V HN 0.173 nan 8.190 nan 0.000 0.471 777 R N 2.127 122.589 120.500 -0.065 0.000 2.446 777 R HA 0.063 4.402 4.340 -0.002 0.000 0.325 777 R C 0.178 176.469 176.300 -0.015 0.000 0.997 777 R CA -0.242 55.847 56.100 -0.017 0.000 1.010 777 R CB 0.174 30.482 30.300 0.014 0.000 0.946 777 R HN 0.389 nan 8.270 nan 0.000 0.422 778 M N 4.742 124.341 119.600 -0.000 0.000 2.227 778 M HA 0.165 4.644 4.480 -0.002 0.000 0.349 778 M C -1.459 174.842 176.300 0.002 0.000 1.443 778 M CA 0.659 55.963 55.300 0.006 0.000 1.110 778 M CB 0.609 33.228 32.600 0.032 0.000 1.773 778 M HN 0.722 nan 8.290 nan 0.000 0.463 779 D N 3.179 123.566 120.400 -0.021 0.000 2.937 779 D HA 0.205 4.844 4.640 -0.002 0.000 0.215 779 D C -1.335 174.908 176.300 -0.095 0.000 1.274 779 D CA 0.016 53.986 54.000 -0.049 0.000 0.869 779 D CB 1.974 42.757 40.800 -0.028 0.000 1.675 779 D HN 0.729 nan 8.370 nan 0.000 0.538 780 T N 3.053 117.535 114.554 -0.120 0.000 2.919 780 T HA 0.363 4.712 4.350 -0.002 0.000 0.302 780 T C 0.843 175.414 174.700 -0.215 0.000 1.031 780 T CA 0.050 62.053 62.100 -0.163 0.000 1.127 780 T CB 0.004 68.790 68.868 -0.136 0.000 0.952 780 T HN 0.538 nan 8.240 nan 0.000 0.540 781 M N 1.779 121.206 119.600 -0.289 0.000 3.988 781 M HA -0.187 4.292 4.480 -0.002 0.000 0.157 781 M C -0.307 175.765 176.300 -0.381 0.000 1.524 781 M CA 0.451 55.502 55.300 -0.415 0.000 1.079 781 M CB -1.482 31.007 32.600 -0.186 0.000 1.342 781 M HN 0.855 nan 8.290 nan 0.000 0.256 782 A N 3.691 126.261 122.820 -0.416 0.000 2.414 782 A HA 0.888 5.207 4.320 -0.002 0.000 0.306 782 A C -0.528 176.959 177.584 -0.162 0.000 1.054 782 A CA -0.775 51.104 52.037 -0.265 0.000 0.724 782 A CB 1.482 20.406 19.000 -0.127 0.000 1.267 782 A HN 0.671 nan 8.150 nan 0.000 0.418 783 N N 1.441 120.098 118.700 -0.071 0.000 2.504 783 N HA 0.556 5.295 4.740 -0.002 0.000 0.280 783 N C -0.779 174.757 175.510 0.044 0.000 1.052 783 N CA -0.189 52.883 53.050 0.036 0.000 0.887 783 N CB 1.529 40.065 38.487 0.081 0.000 1.323 783 N HN 0.786 nan 8.380 nan 0.000 0.509 784 I N -1.772 118.810 120.570 0.020 0.000 3.133 784 I HA 0.594 4.763 4.170 -0.002 0.000 0.311 784 I C -0.907 175.225 176.117 0.024 0.000 1.072 784 I CA -0.929 60.337 61.300 -0.056 0.000 1.015 784 I CB 1.792 39.593 38.000 -0.330 0.000 1.233 784 I HN 0.018 nan 8.210 nan 0.000 0.473 785 L N 2.243 123.468 121.223 0.004 0.000 2.307 785 L HA 0.330 4.669 4.340 -0.002 0.000 0.284 785 L C 0.376 177.271 176.870 0.041 0.000 1.023 785 L CA -0.302 54.576 54.840 0.063 0.000 0.810 785 L CB 1.694 43.775 42.059 0.037 0.000 1.231 785 L HN 0.813 nan 8.230 nan 0.000 0.423 786 Y N 3.602 123.795 120.300 -0.178 0.000 2.128 786 Y HA -0.208 4.341 4.550 -0.001 0.000 0.284 786 Y C 0.138 175.658 175.900 -0.632 0.000 1.154 786 Y CA 1.484 59.318 58.100 -0.443 0.000 1.149 786 Y CB 0.163 38.316 38.460 -0.511 0.000 0.976 786 Y HN 0.437 nan 8.280 nan 0.000 0.505 787 Y N -0.579 119.798 120.300 0.128 0.000 2.475 787 Y HA 0.340 4.889 4.550 -0.002 0.000 0.343 787 Y C -2.686 173.190 175.900 -0.039 0.000 1.068 787 Y CA -2.815 55.299 58.100 0.025 0.000 1.307 787 Y CB 0.850 39.319 38.460 0.016 0.000 1.097 787 Y HN -0.169 nan 8.280 nan 0.000 0.530 788 P HA 0.350 nan 4.420 nan 0.000 0.279 788 P C -1.005 176.284 177.300 -0.018 0.000 1.252 788 P CA -0.492 62.605 63.100 -0.005 0.000 0.811 788 P CB 1.099 32.769 31.700 -0.050 0.000 1.035 789 Q N 0.051 119.825 119.800 -0.042 0.000 2.416 789 Q HA 0.359 4.699 4.340 -0.002 0.000 0.281 789 Q C -0.929 175.025 176.000 -0.077 0.000 1.067 789 Q CA -1.076 54.694 55.803 -0.056 0.000 0.809 789 Q CB 2.335 31.043 28.738 -0.049 0.000 1.418 789 Q HN 0.241 nan 8.270 nan 0.000 0.411 790 K N 1.721 122.065 120.400 -0.094 0.000 2.447 790 K HA 0.073 4.392 4.320 -0.002 0.000 0.281 790 K C -1.913 174.575 176.600 -0.188 0.000 1.031 790 K CA -1.180 55.045 56.287 -0.105 0.000 1.019 790 K CB 0.123 32.567 32.500 -0.093 0.000 0.918 790 K HN 0.217 nan 8.250 nan 0.000 0.476 791 P HA -0.186 nan 4.420 nan 0.000 0.245 791 P C 0.367 177.313 177.300 -0.590 0.000 1.203 791 P CA 0.815 63.460 63.100 -0.759 0.000 0.754 791 P CB -0.109 31.274 31.700 -0.528 0.000 0.896 792 L N -3.682 117.357 121.223 -0.306 0.000 3.640 792 L HA -0.354 3.985 4.340 -0.002 0.000 0.053 792 L C 0.850 177.630 176.870 -0.150 0.000 4.284 792 L CA 1.809 56.530 54.840 -0.199 0.000 0.728 792 L CB -1.947 40.001 42.059 -0.185 0.000 3.467 792 L HN 0.114 nan 8.230 nan 0.000 0.808 793 A N 0.232 122.964 122.820 -0.147 0.000 2.478 793 A HA 0.554 4.873 4.320 -0.002 0.000 0.327 793 A C -0.052 177.513 177.584 -0.032 0.000 1.431 793 A CA 0.821 52.832 52.037 -0.044 0.000 1.014 793 A CB 0.715 19.714 19.000 -0.001 0.000 1.143 793 A HN 0.359 nan 8.150 nan 0.000 0.532 794 T N 0.769 115.293 114.554 -0.049 0.000 2.916 794 T HA 0.607 4.956 4.350 -0.002 0.000 0.292 794 T C 0.145 174.792 174.700 -0.090 0.000 1.055 794 T CA -0.099 61.957 62.100 -0.074 0.000 1.009 794 T CB 1.577 70.379 68.868 -0.111 0.000 1.118 794 T HN 0.655 nan 8.240 nan 0.000 0.497 795 T N 1.210 115.687 114.554 -0.129 0.000 2.909 795 T HA 0.314 4.663 4.350 -0.002 0.000 0.289 795 T C 0.805 175.318 174.700 -0.312 0.000 1.005 795 T CA -0.528 61.456 62.100 -0.194 0.000 1.084 795 T CB 0.556 69.329 68.868 -0.158 0.000 0.975 795 T HN 0.660 nan 8.240 nan 0.000 0.509 796 R N 2.339 122.550 120.500 -0.482 0.000 3.441 796 R HA 0.123 4.462 4.340 -0.002 0.000 0.225 796 R C 0.781 176.610 176.300 -0.784 0.000 1.756 796 R CA 0.321 55.995 56.100 -0.710 0.000 1.504 796 R CB -0.716 28.943 30.300 -1.068 0.000 1.183 796 R HN 0.551 nan 8.270 nan 0.000 0.567 797 S N -1.120 114.297 115.700 -0.472 0.000 3.021 797 S HA 0.179 4.648 4.470 -0.002 0.000 0.252 797 S C 0.772 175.200 174.600 -0.288 0.000 0.996 797 S CA -0.674 57.360 58.200 -0.277 0.000 1.084 797 S CB 0.406 63.617 63.200 0.017 0.000 1.021 797 S HN 0.342 nan 8.310 nan 0.000 0.566 798 M N 0.175 119.551 119.600 -0.375 0.000 2.538 798 M HA 0.316 4.795 4.480 -0.002 0.000 0.259 798 M C 1.851 177.992 176.300 -0.265 0.000 1.217 798 M CA 0.301 55.464 55.300 -0.228 0.000 1.131 798 M CB -0.079 32.449 32.600 -0.121 0.000 1.382 798 M HN 0.472 nan 8.290 nan 0.000 0.520 799 E N 1.114 121.023 120.200 -0.484 0.000 2.253 799 E HA -0.235 4.114 4.350 -0.002 0.000 0.202 799 E C 1.235 177.660 176.600 -0.291 0.000 1.014 799 E CA 1.957 58.103 56.400 -0.423 0.000 0.823 799 E CB 0.029 29.390 29.700 -0.566 0.000 0.736 799 E HN 0.670 nan 8.360 nan 0.000 0.478 800 Y N -0.807 119.426 120.300 -0.111 0.000 2.389 800 Y HA 0.099 4.648 4.550 -0.002 0.000 0.292 800 Y C 1.851 177.684 175.900 -0.111 0.000 1.117 800 Y CA -0.133 57.847 58.100 -0.200 0.000 1.195 800 Y CB 0.104 38.160 38.460 -0.673 0.000 1.076 800 Y HN -0.068 nan 8.280 nan 0.000 0.548 801 L N 0.881 122.117 121.223 0.022 0.000 2.675 801 L HA -0.007 4.332 4.340 -0.002 0.000 0.239 801 L C 0.421 177.457 176.870 0.276 0.000 1.151 801 L CA 0.374 55.305 54.840 0.152 0.000 0.905 801 L CB -0.397 41.734 42.059 0.120 0.000 1.057 801 L HN 0.101 nan 8.230 nan 0.000 0.435 802 K N -0.929 119.583 120.400 0.186 0.000 2.948 802 K HA -0.290 4.029 4.320 -0.002 0.000 0.253 802 K C 0.885 177.512 176.600 0.046 0.000 0.970 802 K CA 0.877 57.249 56.287 0.142 0.000 0.716 802 K CB -1.987 30.650 32.500 0.229 0.000 1.249 802 K HN 0.344 nan 8.250 nan 0.000 0.483 803 F N 0.734 120.662 119.950 -0.037 0.000 2.219 803 F HA -0.012 4.514 4.527 -0.002 0.000 0.294 803 F C 2.136 177.883 175.800 -0.089 0.000 1.086 803 F CA 0.878 58.853 58.000 -0.041 0.000 1.330 803 F CB 0.126 39.125 39.000 -0.001 0.000 1.047 803 F HN 0.042 nan 8.300 nan 0.000 0.495 804 R N 0.144 120.678 120.500 0.058 0.000 2.241 804 R HA -0.149 4.190 4.340 -0.002 0.000 0.224 804 R C 1.371 177.579 176.300 -0.154 0.000 1.101 804 R CA 1.428 57.499 56.100 -0.049 0.000 0.995 804 R CB -0.309 29.979 30.300 -0.021 0.000 0.870 804 R HN 0.337 nan 8.270 nan 0.000 0.463 805 E N -0.213 119.868 120.200 -0.197 0.000 2.400 805 E HA 0.101 4.450 4.350 -0.002 0.000 0.195 805 E C -0.014 176.353 176.600 -0.388 0.000 1.012 805 E CA 0.549 56.813 56.400 -0.226 0.000 0.875 805 E CB 0.595 30.210 29.700 -0.142 0.000 0.859 805 E HN 0.147 nan 8.360 nan 0.000 0.498 806 L N 0.695 121.619 121.223 -0.497 0.000 2.527 806 L HA 0.359 4.698 4.340 -0.002 0.000 0.261 806 L C -2.587 173.963 176.870 -0.532 0.000 1.534 806 L CA -1.606 52.922 54.840 -0.519 0.000 0.757 806 L CB 1.129 42.757 42.059 -0.719 0.000 0.999 806 L HN -0.183 nan 8.230 nan 0.000 0.517 807 P HA 0.083 nan 4.420 nan 0.000 0.269 807 P C 0.532 177.636 177.300 -0.328 0.000 1.209 807 P CA 0.097 62.832 63.100 -0.607 0.000 0.776 807 P CB 1.340 32.858 31.700 -0.304 0.000 0.876 808 A N 2.498 125.183 122.820 -0.225 0.000 2.115 808 A HA 0.335 4.654 4.320 -0.002 0.000 0.211 808 A C 1.249 178.928 177.584 0.158 0.000 1.169 808 A CA 0.940 53.010 52.037 0.055 0.000 0.787 808 A CB -0.684 18.445 19.000 0.214 0.000 0.858 808 A HN 0.607 nan 8.150 nan 0.000 0.474 809 G N -1.049 107.885 108.800 0.223 0.000 2.557 809 G HA2 0.488 4.447 3.960 -0.002 0.000 0.292 809 G HA3 0.488 4.447 3.960 -0.002 0.000 0.292 809 G C -0.488 174.528 174.900 0.194 0.000 1.237 809 G CA -0.230 45.091 45.100 0.368 0.000 0.978 809 G HN 0.424 nan 8.290 nan 0.000 0.498 810 Q N -0.819 119.116 119.800 0.226 0.000 2.429 810 Q HA 0.145 4.484 4.340 -0.002 0.000 0.247 810 Q C -1.480 174.588 176.000 0.114 0.000 0.915 810 Q CA -0.495 55.309 55.803 0.002 0.000 0.971 810 Q CB 0.800 29.311 28.738 -0.379 0.000 1.468 810 Q HN 0.641 nan 8.270 nan 0.000 0.439 811 N N 1.619 120.368 118.700 0.082 0.000 2.470 811 N HA 0.545 5.284 4.740 -0.002 0.000 0.268 811 N C -1.214 174.371 175.510 0.125 0.000 1.136 811 N CA 0.266 53.398 53.050 0.138 0.000 0.961 811 N CB 1.306 39.814 38.487 0.035 0.000 1.067 811 N HN 0.547 nan 8.380 nan 0.000 0.468 812 A N 3.316 126.260 122.820 0.205 0.000 2.332 812 A HA 0.338 4.657 4.320 -0.002 0.000 0.300 812 A C -0.080 177.572 177.584 0.113 0.000 1.153 812 A CA -0.704 51.450 52.037 0.195 0.000 0.764 812 A CB 0.519 19.728 19.000 0.348 0.000 1.174 812 A HN 0.626 nan 8.150 nan 0.000 0.467 813 I N 3.956 124.555 120.570 0.048 0.000 3.051 813 I HA -0.043 4.126 4.170 -0.002 0.000 0.290 813 I C 0.138 176.248 176.117 -0.012 0.000 1.166 813 I CA 0.779 62.078 61.300 -0.002 0.000 1.479 813 I CB -1.003 36.987 38.000 -0.016 0.000 1.505 813 I HN 0.244 nan 8.210 nan 0.000 0.654 814 V N 5.961 125.875 119.914 -0.000 0.000 2.644 814 V HA 0.640 4.759 4.120 -0.002 0.000 0.295 814 V C 0.540 176.604 176.094 -0.051 0.000 1.053 814 V CA -0.536 61.767 62.300 0.005 0.000 0.987 814 V CB 1.755 33.654 31.823 0.127 0.000 1.006 814 V HN 0.830 nan 8.190 nan 0.000 0.472 815 A N 5.057 127.847 122.820 -0.051 0.000 2.414 815 A HA 0.654 4.973 4.320 -0.002 0.000 0.286 815 A C -0.658 176.924 177.584 -0.003 0.000 1.073 815 A CA -0.542 51.462 52.037 -0.054 0.000 0.727 815 A CB 0.665 19.608 19.000 -0.096 0.000 1.215 815 A HN 0.733 nan 8.150 nan 0.000 0.430 816 I N 3.648 124.270 120.570 0.087 0.000 2.460 816 I HA 0.149 4.319 4.170 -0.002 0.000 0.297 816 I C -0.262 175.907 176.117 0.086 0.000 1.139 816 I CA 0.588 61.955 61.300 0.112 0.000 1.340 816 I CB -0.274 37.852 38.000 0.210 0.000 1.444 816 I HN 0.545 nan 8.210 nan 0.000 0.557 817 L N 6.081 127.325 121.223 0.035 0.000 2.388 817 L HA 0.471 4.810 4.340 -0.002 0.000 0.264 817 L C -0.863 176.054 176.870 0.078 0.000 0.998 817 L CA -0.605 54.265 54.840 0.050 0.000 0.817 817 L CB 2.782 44.843 42.059 0.004 0.000 1.338 817 L HN 0.520 nan 8.230 nan 0.000 0.414 818 C N 3.665 123.030 119.300 0.107 0.000 2.168 818 C HA 0.410 4.869 4.460 -0.002 0.000 0.333 818 C C -0.825 174.263 174.990 0.164 0.000 1.106 818 C CA -0.192 58.898 59.018 0.120 0.000 1.574 818 C CB -1.300 26.507 27.740 0.112 0.000 2.055 818 C HN 0.603 nan 8.230 nan 0.000 0.473 819 Y N 5.529 125.826 120.300 -0.005 0.000 2.301 819 Y HA 0.509 5.058 4.550 -0.001 0.000 0.325 819 Y C 0.291 176.185 175.900 -0.010 0.000 1.103 819 Y CA 0.752 58.847 58.100 -0.009 0.000 1.182 819 Y CB 0.809 39.227 38.460 -0.070 0.000 1.139 819 Y HN 0.837 nan 8.280 nan 0.000 0.443 820 S N 3.690 119.330 115.700 -0.099 0.000 4.156 820 S HA -0.115 4.354 4.470 -0.002 0.000 0.624 820 S C 0.674 175.286 174.600 0.020 0.000 1.869 820 S CA 0.989 59.202 58.200 0.021 0.000 4.246 820 S CB -1.925 61.423 63.200 0.247 0.000 0.202 820 S HN 2.133 nan 8.310 nan 0.000 0.460 821 G N -0.734 108.092 108.800 0.043 0.000 4.665 821 G HA2 0.254 4.213 3.960 -0.002 0.000 0.219 821 G HA3 0.254 4.213 3.960 -0.002 0.000 0.219 821 G C 0.224 175.038 174.900 -0.143 0.000 0.664 821 G CA 0.687 45.738 45.100 -0.083 0.000 0.907 821 G HN 0.636 nan 8.290 nan 0.000 0.689 822 Y N 1.672 122.003 120.300 0.051 0.000 2.517 822 Y HA 0.144 4.693 4.550 -0.001 0.000 0.281 822 Y C 1.671 177.581 175.900 0.017 0.000 1.125 822 Y CA 0.866 58.997 58.100 0.052 0.000 1.283 822 Y CB 0.502 39.032 38.460 0.117 0.000 1.042 822 Y HN 0.373 nan 8.280 nan 0.000 0.547 823 N N 0.649 119.423 118.700 0.123 0.000 3.324 823 N HA 0.074 4.813 4.740 -0.002 0.000 0.302 823 N C -0.592 174.931 175.510 0.022 0.000 1.360 823 N CA -0.094 52.985 53.050 0.048 0.000 1.190 823 N CB 0.029 38.525 38.487 0.015 0.000 1.462 823 N HN 0.335 nan 8.380 nan 0.000 0.532 824 Q N 0.253 120.057 119.800 0.007 0.000 2.306 824 Q HA 0.230 4.570 4.340 -0.002 0.000 0.269 824 Q C -0.931 175.054 176.000 -0.025 0.000 1.053 824 Q CA -0.842 54.946 55.803 -0.026 0.000 0.879 824 Q CB 1.505 30.206 28.738 -0.061 0.000 1.344 824 Q HN 0.488 nan 8.270 nan 0.000 0.464 825 E N 1.810 121.983 120.200 -0.045 0.000 1.484 825 E HA -0.332 4.017 4.350 -0.002 0.000 0.248 825 E C -1.175 175.415 176.600 -0.017 0.000 1.281 825 E CA 0.512 56.891 56.400 -0.036 0.000 0.833 825 E CB -0.929 28.743 29.700 -0.046 0.000 0.898 825 E HN 0.575 nan 8.360 nan 0.000 0.297 826 D N 1.196 121.590 120.400 -0.011 0.000 2.904 826 D HA -0.195 4.444 4.640 -0.002 0.000 0.231 826 D C -0.950 175.349 176.300 -0.002 0.000 1.185 826 D CA 1.651 55.645 54.000 -0.010 0.000 0.783 826 D CB -0.991 39.799 40.800 -0.017 0.000 0.961 826 D HN 0.358 nan 8.370 nan 0.000 0.409 827 S N -0.355 115.343 115.700 -0.003 0.000 2.552 827 S HA 0.740 5.209 4.470 -0.002 0.000 0.272 827 S C -1.182 173.407 174.600 -0.019 0.000 1.150 827 S CA -0.971 57.229 58.200 0.000 0.000 0.849 827 S CB 1.377 64.587 63.200 0.017 0.000 1.113 827 S HN 0.510 nan 8.310 nan 0.000 0.458 828 I N 2.188 122.731 120.570 -0.045 0.000 2.828 828 I HA 0.776 4.945 4.170 -0.002 0.000 0.302 828 I C -1.111 174.941 176.117 -0.109 0.000 1.101 828 I CA -1.379 59.857 61.300 -0.106 0.000 1.031 828 I CB 1.995 39.864 38.000 -0.220 0.000 1.231 828 I HN 0.818 nan 8.210 nan 0.000 0.427 829 I N 3.508 124.000 120.570 -0.130 0.000 2.406 829 I HA 0.569 4.738 4.170 -0.002 0.000 0.290 829 I C -1.152 174.848 176.117 -0.196 0.000 0.999 829 I CA -0.653 60.571 61.300 -0.126 0.000 1.124 829 I CB 1.894 39.833 38.000 -0.103 0.000 1.289 829 I HN 0.852 nan 8.210 nan 0.000 0.441 830 M N 6.160 125.649 119.600 -0.185 0.000 2.578 830 M HA 0.347 4.826 4.480 -0.002 0.000 0.321 830 M C -0.560 175.668 176.300 -0.119 0.000 1.182 830 M CA -0.593 54.575 55.300 -0.220 0.000 0.965 830 M CB 1.856 34.260 32.600 -0.328 0.000 1.694 830 M HN 0.834 nan 8.290 nan 0.000 0.461 831 N N 2.501 121.138 118.700 -0.106 0.000 2.420 831 N HA -0.023 4.716 4.740 -0.002 0.000 0.262 831 N C 0.357 175.866 175.510 -0.002 0.000 1.144 831 N CA -0.114 52.914 53.050 -0.037 0.000 0.952 831 N CB 1.074 39.539 38.487 -0.036 0.000 1.081 831 N HN 0.732 nan 8.380 nan 0.000 0.480 832 Q N 4.521 124.336 119.800 0.025 0.000 2.124 832 Q HA -0.132 4.207 4.340 -0.002 0.000 0.202 832 Q C 1.893 177.916 176.000 0.038 0.000 0.977 832 Q CA 2.104 57.921 55.803 0.023 0.000 0.850 832 Q CB -0.215 28.536 28.738 0.021 0.000 0.901 832 Q HN 0.835 nan 8.270 nan 0.000 0.429 833 A N -0.405 122.456 122.820 0.069 0.000 1.948 833 A HA -0.261 4.058 4.320 -0.002 0.000 0.220 833 A C 2.248 179.864 177.584 0.054 0.000 1.177 833 A CA 2.160 54.243 52.037 0.076 0.000 0.636 833 A CB -0.813 18.288 19.000 0.168 0.000 0.815 833 A HN 0.501 nan 8.150 nan 0.000 0.449 834 S N 0.109 115.845 115.700 0.060 0.000 2.345 834 S HA -0.116 4.353 4.470 -0.002 0.000 0.219 834 S C 1.912 176.546 174.600 0.057 0.000 1.031 834 S CA 1.224 59.457 58.200 0.055 0.000 0.984 834 S CB -0.807 62.428 63.200 0.059 0.000 0.874 834 S HN 0.856 nan 8.310 nan 0.000 0.451 835 I N 0.863 121.463 120.570 0.050 0.000 2.657 835 I HA -0.160 4.009 4.170 -0.002 0.000 0.261 835 I C 1.113 177.253 176.117 0.038 0.000 1.212 835 I CA 1.587 62.920 61.300 0.056 0.000 1.453 835 I CB -0.286 37.730 38.000 0.026 0.000 1.092 835 I HN -0.038 nan 8.210 nan 0.000 0.452 836 D N 1.518 121.936 120.400 0.030 0.000 2.277 836 D HA -0.027 4.612 4.640 -0.002 0.000 0.208 836 D C 2.066 178.383 176.300 0.028 0.000 0.962 836 D CA 0.868 54.881 54.000 0.021 0.000 0.865 836 D CB 0.075 40.885 40.800 0.015 0.000 0.939 836 D HN 0.538 nan 8.370 nan 0.000 0.510 837 R N -1.210 119.312 120.500 0.035 0.000 2.335 837 R HA 0.352 4.691 4.340 -0.002 0.000 0.210 837 R C 1.115 177.462 176.300 0.079 0.000 0.892 837 R CA 0.527 56.649 56.100 0.037 0.000 1.048 837 R CB 1.191 31.494 30.300 0.004 0.000 1.067 837 R HN 0.059 nan 8.270 nan 0.000 0.524 838 G N 0.403 109.258 108.800 0.092 0.000 2.407 838 G HA2 -0.116 3.843 3.960 -0.002 0.000 0.210 838 G HA3 -0.116 3.843 3.960 -0.002 0.000 0.210 838 G C -0.164 174.827 174.900 0.151 0.000 1.015 838 G CA -0.813 44.378 45.100 0.152 0.000 0.807 838 G HN 0.013 nan 8.290 nan 0.000 0.539 839 L N 1.179 122.490 121.223 0.146 0.000 2.559 839 L HA 0.195 4.534 4.340 -0.002 0.000 0.282 839 L C 1.333 178.423 176.870 0.367 0.000 1.232 839 L CA 0.272 55.262 54.840 0.250 0.000 0.885 839 L CB -0.181 42.125 42.059 0.411 0.000 1.131 839 L HN 0.359 nan 8.230 nan 0.000 0.498 840 F N 1.547 121.575 119.950 0.130 0.000 2.805 840 F HA -0.282 4.244 4.527 -0.001 0.000 0.217 840 F C 0.886 176.731 175.800 0.076 0.000 1.035 840 F CA 0.541 58.646 58.000 0.174 0.000 0.835 840 F CB -1.621 37.605 39.000 0.377 0.000 0.687 840 F HN 0.498 nan 8.300 nan 0.000 0.844 841 R N 0.673 121.212 120.500 0.065 0.000 2.297 841 R HA 0.601 4.940 4.340 -0.002 0.000 0.308 841 R C 0.411 176.629 176.300 -0.137 0.000 1.029 841 R CA 0.068 56.042 56.100 -0.210 0.000 0.929 841 R CB 1.405 31.281 30.300 -0.706 0.000 1.046 841 R HN 0.388 nan 8.270 nan 0.000 0.461 842 S N 3.000 118.678 115.700 -0.036 0.000 2.634 842 S HA 0.636 5.105 4.470 -0.002 0.000 0.296 842 S C -0.152 174.573 174.600 0.207 0.000 1.104 842 S CA -0.959 57.331 58.200 0.150 0.000 0.920 842 S CB 1.440 64.713 63.200 0.121 0.000 1.111 842 S HN 0.418 nan 8.310 nan 0.000 0.493 843 I N 0.715 121.425 120.570 0.234 0.000 2.648 843 I HA 0.540 4.709 4.170 -0.002 0.000 0.304 843 I C -1.244 174.968 176.117 0.158 0.000 1.009 843 I CA -0.820 60.570 61.300 0.149 0.000 1.114 843 I CB 1.678 39.706 38.000 0.048 0.000 1.293 843 I HN 0.748 nan 8.210 nan 0.000 0.449 844 F N 4.930 124.829 119.950 -0.084 0.000 2.686 844 F HA 0.444 4.970 4.527 -0.001 0.000 0.365 844 F C -1.065 174.712 175.800 -0.039 0.000 1.196 844 F CA -0.532 57.457 58.000 -0.018 0.000 1.198 844 F CB 0.327 39.319 39.000 -0.014 0.000 1.454 844 F HN 0.206 nan 8.300 nan 0.000 0.539 845 Y N 3.622 123.779 120.300 -0.239 0.000 2.425 845 Y HA 0.412 4.961 4.550 -0.002 0.000 0.331 845 Y C 0.586 176.260 175.900 -0.377 0.000 1.157 845 Y CA 0.065 58.056 58.100 -0.181 0.000 1.372 845 Y CB 0.667 39.064 38.460 -0.104 0.000 1.253 845 Y HN 0.468 nan 8.280 nan 0.000 0.536 846 R N 0.933 121.391 120.500 -0.070 0.000 2.750 846 R HA 0.678 5.017 4.340 -0.002 0.000 0.281 846 R C -1.353 174.828 176.300 -0.197 0.000 0.972 846 R CA -0.673 55.313 56.100 -0.190 0.000 0.912 846 R CB 1.487 31.722 30.300 -0.109 0.000 1.187 846 R HN 0.788 nan 8.270 nan 0.000 0.464 847 T N -0.026 114.340 114.554 -0.314 0.000 2.881 847 T HA 0.422 4.771 4.350 -0.002 0.000 0.290 847 T C -1.129 173.372 174.700 -0.332 0.000 1.000 847 T CA -0.651 61.317 62.100 -0.220 0.000 0.978 847 T CB 0.915 69.733 68.868 -0.082 0.000 0.997 847 T HN 0.390 nan 8.240 nan 0.000 0.443 848 Y N 1.228 121.530 120.300 0.004 0.000 2.342 848 Y HA 0.532 5.081 4.550 -0.002 0.000 0.338 848 Y C 1.114 176.986 175.900 -0.046 0.000 0.965 848 Y CA -0.775 57.319 58.100 -0.011 0.000 1.159 848 Y CB 1.818 40.272 38.460 -0.009 0.000 1.157 848 Y HN 0.785 nan 8.280 nan 0.000 0.486 849 T N 2.681 117.276 114.554 0.070 0.000 2.889 849 T HA 0.347 4.696 4.350 -0.002 0.000 0.291 849 T C -1.142 173.520 174.700 -0.063 0.000 0.995 849 T CA -0.153 61.922 62.100 -0.040 0.000 1.092 849 T CB 0.370 69.233 68.868 -0.009 0.000 0.954 849 T HN 0.664 nan 8.240 nan 0.000 0.506 850 D N 2.553 122.819 120.400 -0.223 0.000 2.804 850 D HA 0.252 4.891 4.640 -0.002 0.000 0.209 850 D C -0.195 175.997 176.300 -0.180 0.000 1.314 850 D CA -0.371 53.563 54.000 -0.109 0.000 0.894 850 D CB 1.796 42.627 40.800 0.051 0.000 1.615 850 D HN 0.674 nan 8.370 nan 0.000 0.571 851 Q N 1.177 120.945 119.800 -0.053 0.000 2.931 851 Q HA 0.488 4.828 4.340 -0.002 0.000 0.198 851 Q C -0.233 175.876 176.000 0.181 0.000 1.137 851 Q CA -0.682 55.185 55.803 0.108 0.000 0.590 851 Q CB 1.142 30.020 28.738 0.233 0.000 4.856 851 Q HN 0.402 nan 8.270 nan 0.000 0.348 852 E N 0.673 120.948 120.200 0.125 0.000 2.934 852 E HA 0.120 4.469 4.350 -0.002 0.000 0.343 852 E C -1.453 175.156 176.600 0.016 0.000 1.148 852 E CA -0.110 56.281 56.400 -0.014 0.000 0.803 852 E CB 0.665 30.342 29.700 -0.039 0.000 1.541 852 E HN 0.287 nan 8.360 nan 0.000 0.380 853 K N 2.473 122.881 120.400 0.013 0.000 2.518 853 K HA -0.017 4.302 4.320 -0.002 0.000 0.276 853 K C -0.640 175.964 176.600 0.006 0.000 0.974 853 K CA 0.478 56.780 56.287 0.024 0.000 0.986 853 K CB 0.629 33.143 32.500 0.022 0.000 0.901 853 K HN 0.284 nan 8.250 nan 0.000 0.497 854 K N 5.980 126.391 120.400 0.018 0.000 2.687 854 K HA 0.148 4.467 4.320 -0.002 0.000 0.249 854 K C 0.381 176.990 176.600 0.015 0.000 0.994 854 K CA -0.582 55.712 56.287 0.011 0.000 0.913 854 K CB 0.642 33.150 32.500 0.014 0.000 1.202 854 K HN 0.693 nan 8.250 nan 0.000 0.460 855 I N 1.397 121.973 120.570 0.010 0.000 3.233 855 I HA 0.447 4.616 4.170 -0.002 0.000 0.228 855 I C 1.144 177.267 176.117 0.010 0.000 1.039 855 I CA 0.373 61.680 61.300 0.011 0.000 1.455 855 I CB -0.988 37.017 38.000 0.009 0.000 1.311 855 I HN 0.758 nan 8.210 nan 0.000 0.437 856 G N 0.847 109.651 108.800 0.007 0.000 2.749 856 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.242 856 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.242 856 G C 0.028 174.933 174.900 0.008 0.000 1.364 856 G CA 0.344 45.448 45.100 0.007 0.000 0.888 856 G HN 0.924 nan 8.290 nan 0.000 0.566 857 M N -3.294 116.311 119.600 0.008 0.000 7.319 857 M HA -0.215 4.264 4.480 -0.002 0.000 0.097 857 M C 0.540 176.844 176.300 0.008 0.000 0.480 857 M CA 2.160 57.464 55.300 0.007 0.000 1.311 857 M CB -1.638 30.965 32.600 0.006 0.000 0.421 857 M HN 1.309 nan 8.290 nan 0.000 0.169 858 T N 1.697 116.256 114.554 0.007 0.000 3.226 858 T HA 0.568 4.917 4.350 -0.002 0.000 0.378 858 T C -0.871 173.833 174.700 0.005 0.000 1.380 858 T CA -0.515 61.590 62.100 0.008 0.000 1.396 858 T CB 0.482 69.356 68.868 0.009 0.000 1.044 858 T HN 0.362 nan 8.240 nan 0.000 0.586 859 V N 5.034 124.950 119.914 0.003 0.000 2.348 859 V HA 0.413 4.532 4.120 -0.002 0.000 0.270 859 V C 0.373 176.464 176.094 -0.006 0.000 1.037 859 V CA -0.754 61.546 62.300 -0.001 0.000 0.872 859 V CB 0.771 32.593 31.823 -0.002 0.000 1.002 859 V HN 0.684 nan 8.190 nan 0.000 0.464 860 M N 3.491 123.086 119.600 -0.008 0.000 2.227 860 M HA 0.485 4.964 4.480 -0.002 0.000 0.316 860 M C 0.210 176.487 176.300 -0.037 0.000 1.144 860 M CA 0.049 55.339 55.300 -0.017 0.000 1.121 860 M CB 0.619 33.214 32.600 -0.008 0.000 1.440 860 M HN 0.754 nan 8.290 nan 0.000 0.473 861 E N 1.160 121.321 120.200 -0.066 0.000 2.850 861 E HA 0.133 4.482 4.350 -0.002 0.000 0.368 861 E C -1.335 175.145 176.600 -0.200 0.000 1.116 861 E CA -0.010 56.320 56.400 -0.116 0.000 0.787 861 E CB 0.970 30.595 29.700 -0.125 0.000 1.561 861 E HN 0.763 nan 8.360 nan 0.000 0.381 862 E N 1.578 121.695 120.200 -0.138 0.000 2.314 862 E HA 0.201 4.550 4.350 -0.002 0.000 0.262 862 E C -0.321 176.173 176.600 -0.176 0.000 1.093 862 E CA -0.555 55.768 56.400 -0.128 0.000 0.908 862 E CB 0.657 30.357 29.700 0.001 0.000 1.091 862 E HN 0.349 nan 8.360 nan 0.000 0.425 863 F N 1.716 121.679 119.950 0.022 0.000 2.811 863 F HA 0.084 4.610 4.527 -0.002 0.000 0.292 863 F C 0.434 176.248 175.800 0.022 0.000 1.240 863 F CA -0.022 57.989 58.000 0.018 0.000 1.422 863 F CB -0.140 38.867 39.000 0.012 0.000 1.045 863 F HN 0.267 nan 8.300 nan 0.000 0.512 864 E N 1.330 121.602 120.200 0.120 0.000 2.415 864 E HA 0.016 4.365 4.350 -0.002 0.000 0.262 864 E C 0.419 177.079 176.600 0.099 0.000 1.038 864 E CA -0.460 55.995 56.400 0.092 0.000 0.921 864 E CB 0.461 30.190 29.700 0.049 0.000 0.950 864 E HN 0.376 nan 8.360 nan 0.000 0.438 865 R N 2.342 122.896 120.500 0.091 0.000 2.343 865 R HA 0.198 4.537 4.340 -0.002 0.000 0.326 865 R C -2.402 173.943 176.300 0.075 0.000 1.055 865 R CA -1.613 54.551 56.100 0.106 0.000 0.961 865 R CB -0.575 29.779 30.300 0.089 0.000 0.978 865 R HN 0.103 nan 8.270 nan 0.000 0.443 866 P HA -0.157 nan 4.420 nan 0.000 0.261 866 P C -0.658 176.590 177.300 -0.087 0.000 1.173 866 P CA -0.064 63.031 63.100 -0.007 0.000 0.760 866 P CB 0.682 32.362 31.700 -0.034 0.000 0.783 867 V N 5.636 125.498 119.914 -0.086 0.000 2.334 867 V HA 0.222 4.341 4.120 -0.002 0.000 0.281 867 V C 0.776 176.800 176.094 -0.117 0.000 1.016 867 V CA -0.770 61.476 62.300 -0.090 0.000 0.832 867 V CB 0.411 32.203 31.823 -0.053 0.000 0.999 867 V HN 0.407 nan 8.190 nan 0.000 0.439 868 R N 4.442 124.856 120.500 -0.144 0.000 4.825 868 R HA 0.032 4.371 4.340 -0.002 0.000 0.189 868 R C 0.876 177.118 176.300 -0.096 0.000 2.283 868 R CA 0.710 56.727 56.100 -0.137 0.000 1.847 868 R CB -0.533 29.682 30.300 -0.142 0.000 1.229 868 R HN 0.878 nan 8.270 nan 0.000 0.742 869 S N -2.370 113.277 115.700 -0.089 0.000 2.728 869 S HA -0.000 4.469 4.470 -0.002 0.000 0.257 869 S C 1.007 175.552 174.600 -0.092 0.000 1.060 869 S CA 0.184 58.338 58.200 -0.077 0.000 1.126 869 S CB 1.025 64.189 63.200 -0.061 0.000 1.099 869 S HN 0.352 nan 8.310 nan 0.000 0.617 870 T N -0.079 114.414 114.554 -0.101 0.000 4.970 870 T HA 0.123 4.472 4.350 -0.002 0.000 0.326 870 T C 0.751 175.389 174.700 -0.103 0.000 0.879 870 T CA 0.466 62.489 62.100 -0.128 0.000 0.672 870 T CB -0.714 68.078 68.868 -0.127 0.000 0.805 870 T HN 0.344 nan 8.240 nan 0.000 0.397 871 T N 1.627 116.127 114.554 -0.090 0.000 3.875 871 T HA 0.534 4.883 4.350 -0.002 0.000 0.189 871 T C 0.794 175.466 174.700 -0.047 0.000 0.742 871 T CA 0.785 62.843 62.100 -0.070 0.000 2.566 871 T CB -0.774 68.035 68.868 -0.099 0.000 1.859 871 T HN 1.880 nan 8.240 nan 0.000 0.318 872 L N -0.592 120.605 121.223 -0.043 0.000 1.761 872 L HA 0.097 4.436 4.340 -0.002 0.000 0.636 872 L C -0.730 176.143 176.870 0.004 0.000 1.008 872 L CA -0.057 54.774 54.840 -0.014 0.000 1.334 872 L CB -1.687 40.374 42.059 0.003 0.000 2.142 872 L HN 1.150 nan 8.230 nan 0.000 1.031 873 R N 4.121 124.625 120.500 0.007 0.000 2.707 873 R HA 0.967 5.306 4.340 -0.002 0.000 0.272 873 R C -1.695 174.605 176.300 0.000 0.000 1.011 873 R CA -0.927 55.171 56.100 -0.003 0.000 0.893 873 R CB 1.933 32.241 30.300 0.012 0.000 1.233 873 R HN 0.833 nan 8.270 nan 0.000 0.464 874 M N 2.584 122.168 119.600 -0.028 0.000 2.362 874 M HA 0.351 4.830 4.480 -0.002 0.000 0.242 874 M C -1.876 174.362 176.300 -0.103 0.000 0.995 874 M CA -0.098 55.179 55.300 -0.039 0.000 0.904 874 M CB 1.765 34.393 32.600 0.045 0.000 2.202 874 M HN 0.782 nan 8.290 nan 0.000 0.464 875 K N 1.305 121.598 120.400 -0.179 0.000 2.270 875 K HA 0.675 4.994 4.320 -0.002 0.000 0.248 875 K C -0.602 175.744 176.600 -0.423 0.000 1.076 875 K CA -0.573 55.643 56.287 -0.119 0.000 0.957 875 K CB 0.784 33.368 32.500 0.140 0.000 1.400 875 K HN 0.944 nan 8.250 nan 0.000 0.573 876 H N -1.243 117.868 119.070 0.069 0.000 2.445 876 H HA -0.225 4.330 4.556 -0.001 0.000 0.322 876 H C 0.560 175.945 175.328 0.096 0.000 1.053 876 H CA -0.001 56.085 56.048 0.064 0.000 1.109 876 H CB -2.230 27.555 29.762 0.039 0.000 1.546 876 H HN 0.764 nan 8.280 nan 0.000 0.397 877 G N 0.081 108.932 108.800 0.085 0.000 2.345 877 G HA2 -0.009 3.950 3.960 -0.002 0.000 0.161 877 G HA3 -0.009 3.950 3.960 -0.002 0.000 0.161 877 G C 0.444 175.372 174.900 0.047 0.000 1.656 877 G CA 0.692 45.889 45.100 0.163 0.000 0.940 877 G HN 0.682 nan 8.290 nan 0.000 0.374 878 T N -1.312 113.274 114.554 0.054 0.000 2.902 878 T HA 0.452 4.801 4.350 -0.002 0.000 0.283 878 T C 0.490 175.278 174.700 0.146 0.000 1.009 878 T CA -0.483 61.708 62.100 0.152 0.000 1.051 878 T CB 0.927 69.853 68.868 0.096 0.000 0.999 878 T HN 0.290 nan 8.240 nan 0.000 0.474 879 Y N 1.164 121.446 120.300 -0.031 0.000 2.490 879 Y HA 0.100 4.649 4.550 -0.002 0.000 0.281 879 Y C 1.790 177.680 175.900 -0.016 0.000 1.174 879 Y CA -0.631 57.453 58.100 -0.026 0.000 1.295 879 Y CB 0.275 38.719 38.460 -0.027 0.000 1.062 879 Y HN 0.582 nan 8.280 nan 0.000 0.522 880 D N 0.649 121.130 120.400 0.135 0.000 2.389 880 D HA -0.129 4.510 4.640 -0.002 0.000 0.221 880 D C 1.303 177.630 176.300 0.045 0.000 0.974 880 D CA 1.192 55.235 54.000 0.073 0.000 0.923 880 D CB -0.022 40.809 40.800 0.052 0.000 0.892 880 D HN 0.355 nan 8.370 nan 0.000 0.518 881 K N -0.343 120.075 120.400 0.030 0.000 2.358 881 K HA 0.178 4.498 4.320 -0.002 0.000 0.197 881 K C 0.345 176.945 176.600 -0.001 0.000 1.025 881 K CA -0.076 56.213 56.287 0.005 0.000 1.104 881 K CB 0.798 33.289 32.500 -0.016 0.000 0.855 881 K HN 0.108 nan 8.250 nan 0.000 0.531 882 L N 1.227 122.460 121.223 0.016 0.000 2.357 882 L HA 0.263 4.602 4.340 -0.002 0.000 0.273 882 L C 0.689 177.575 176.870 0.027 0.000 1.080 882 L CA -0.454 54.396 54.840 0.017 0.000 0.803 882 L CB 1.032 43.116 42.059 0.040 0.000 1.174 882 L HN 0.074 nan 8.230 nan 0.000 0.443 883 E N 0.575 120.787 120.200 0.019 0.000 2.869 883 E HA -0.012 4.337 4.350 -0.002 0.000 0.258 883 E C 0.145 176.762 176.600 0.029 0.000 1.354 883 E CA -0.550 55.862 56.400 0.020 0.000 1.065 883 E CB 0.710 30.416 29.700 0.011 0.000 1.215 883 E HN 0.562 nan 8.360 nan 0.000 0.659 884 D N 0.343 120.759 120.400 0.026 0.000 2.263 884 D HA -0.144 4.495 4.640 -0.002 0.000 0.208 884 D C 0.961 177.284 176.300 0.037 0.000 0.971 884 D CA 0.886 54.904 54.000 0.030 0.000 0.867 884 D CB -0.125 40.690 40.800 0.024 0.000 0.929 884 D HN 0.341 nan 8.370 nan 0.000 0.492 885 D N -0.473 119.947 120.400 0.033 0.000 2.363 885 D HA 0.003 4.643 4.640 -0.002 0.000 0.220 885 D C 1.525 177.858 176.300 0.056 0.000 0.994 885 D CA 1.008 55.030 54.000 0.037 0.000 0.890 885 D CB -0.042 40.767 40.800 0.014 0.000 0.906 885 D HN 0.191 nan 8.370 nan 0.000 0.530 886 G N -0.061 108.774 108.800 0.058 0.000 2.162 886 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.260 886 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.260 886 G C 0.133 175.059 174.900 0.045 0.000 0.976 886 G CA 0.638 45.786 45.100 0.080 0.000 0.655 886 G HN 0.391 nan 8.290 nan 0.000 0.533 887 L N 0.667 121.892 121.223 0.002 0.000 2.354 887 L HA 0.712 5.052 4.340 -0.002 0.000 0.264 887 L C 1.106 177.958 176.870 -0.029 0.000 1.008 887 L CA -1.567 53.249 54.840 -0.039 0.000 0.819 887 L CB 1.850 43.858 42.059 -0.085 0.000 1.339 887 L HN 0.291 nan 8.230 nan 0.000 0.420 888 I N -0.153 120.394 120.570 -0.038 0.000 2.662 888 I HA 0.634 4.803 4.170 -0.002 0.000 0.291 888 I C -0.088 176.020 176.117 -0.015 0.000 1.046 888 I CA -0.290 60.995 61.300 -0.025 0.000 1.361 888 I CB 1.509 39.491 38.000 -0.031 0.000 1.429 888 I HN 0.641 nan 8.210 nan 0.000 0.558 889 A N 5.764 128.580 122.820 -0.006 0.000 2.271 889 A HA 0.735 5.055 4.320 -0.002 0.000 0.317 889 A C -2.537 175.050 177.584 0.005 0.000 1.245 889 A CA -1.757 50.279 52.037 -0.001 0.000 0.857 889 A CB 0.265 19.266 19.000 0.001 0.000 1.175 889 A HN 0.636 nan 8.150 nan 0.000 0.512 890 P HA 0.258 nan 4.420 nan 0.000 0.268 890 P C 0.408 177.716 177.300 0.014 0.000 1.205 890 P CA 0.277 63.388 63.100 0.017 0.000 0.771 890 P CB 0.857 32.571 31.700 0.024 0.000 0.858 891 G N 1.002 109.811 108.800 0.015 0.000 3.986 891 G HA2 0.257 4.216 3.960 -0.002 0.000 0.343 891 G HA3 0.257 4.216 3.960 -0.002 0.000 0.343 891 G C -0.206 174.703 174.900 0.015 0.000 1.413 891 G CA -0.181 44.930 45.100 0.019 0.000 1.143 891 G HN 0.463 nan 8.290 nan 0.000 0.488 892 T N 0.887 115.449 114.554 0.012 0.000 2.799 892 T HA 0.145 4.494 4.350 -0.002 0.000 0.296 892 T C 1.050 175.756 174.700 0.010 0.000 0.947 892 T CA -0.523 61.582 62.100 0.009 0.000 1.141 892 T CB 0.076 68.947 68.868 0.004 0.000 0.891 892 T HN 0.488 nan 8.240 nan 0.000 0.533 893 R N 4.830 125.336 120.500 0.010 0.000 2.936 893 R HA 0.100 4.439 4.340 -0.002 0.000 0.361 893 R C -0.861 175.444 176.300 0.008 0.000 0.873 893 R CA 0.244 56.350 56.100 0.010 0.000 1.041 893 R CB -1.039 29.267 30.300 0.010 0.000 0.924 893 R HN 0.473 nan 8.270 nan 0.000 0.401 894 V N 4.245 124.165 119.914 0.010 0.000 2.481 894 V HA 0.460 4.580 4.120 -0.002 0.000 0.286 894 V C 0.216 176.316 176.094 0.011 0.000 1.042 894 V CA -0.219 62.085 62.300 0.006 0.000 0.928 894 V CB 1.775 33.600 31.823 0.004 0.000 0.986 894 V HN 0.901 nan 8.190 nan 0.000 0.462 895 S N 1.600 117.303 115.700 0.006 0.000 2.998 895 S HA 0.847 5.316 4.470 -0.002 0.000 0.323 895 S C 0.541 175.144 174.600 0.007 0.000 1.141 895 S CA 0.038 58.243 58.200 0.009 0.000 0.873 895 S CB 1.296 64.501 63.200 0.008 0.000 1.315 895 S HN 1.486 nan 8.310 nan 0.000 0.637 896 G N 1.297 110.103 108.800 0.009 0.000 2.549 896 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.338 896 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.338 896 G C -0.136 174.771 174.900 0.012 0.000 1.342 896 G CA 0.701 45.808 45.100 0.012 0.000 0.935 896 G HN 0.772 nan 8.290 nan 0.000 0.534 897 E N 1.180 121.396 120.200 0.025 0.000 2.365 897 E HA 0.116 4.465 4.350 -0.002 0.000 0.188 897 E C -0.008 176.586 176.600 -0.009 0.000 1.102 897 E CA -0.039 56.380 56.400 0.032 0.000 0.927 897 E CB -0.117 29.645 29.700 0.103 0.000 1.073 897 E HN 0.400 nan 8.360 nan 0.000 0.467 898 D N 1.462 121.844 120.400 -0.031 0.000 2.429 898 D HA -0.024 4.615 4.640 -0.002 0.000 0.233 898 D C 0.184 176.388 176.300 -0.159 0.000 1.202 898 D CA 0.498 54.451 54.000 -0.078 0.000 0.879 898 D CB 0.457 41.222 40.800 -0.057 0.000 1.212 898 D HN 0.043 nan 8.370 nan 0.000 0.465 899 I N -1.228 119.191 120.570 -0.250 0.000 2.863 899 I HA 0.369 4.538 4.170 -0.002 0.000 0.311 899 I C 0.671 176.619 176.117 -0.282 0.000 1.026 899 I CA -0.486 60.607 61.300 -0.345 0.000 1.077 899 I CB 1.287 38.912 38.000 -0.624 0.000 1.262 899 I HN 0.312 nan 8.210 nan 0.000 0.461 900 I N 1.066 121.483 120.570 -0.254 0.000 4.774 900 I HA 0.379 4.548 4.170 -0.002 0.000 0.330 900 I C 0.038 176.081 176.117 -0.125 0.000 1.287 900 I CA 0.508 61.705 61.300 -0.173 0.000 1.311 900 I CB 0.198 38.091 38.000 -0.177 0.000 1.315 900 I HN 0.645 nan 8.210 nan 0.000 0.459 901 I N 0.503 121.003 120.570 -0.118 0.000 3.239 901 I HA 0.927 5.096 4.170 -0.002 0.000 0.314 901 I C -0.592 175.539 176.117 0.023 0.000 1.126 901 I CA -0.730 60.562 61.300 -0.013 0.000 0.973 901 I CB 1.514 39.537 38.000 0.038 0.000 1.252 901 I HN -0.017 nan 8.210 nan 0.000 0.463 902 G N 2.013 110.901 108.800 0.147 0.000 2.701 902 G HA2 0.571 4.530 3.960 -0.002 0.000 0.300 902 G HA3 0.571 4.530 3.960 -0.002 0.000 0.300 902 G C -1.331 173.644 174.900 0.125 0.000 1.410 902 G CA -0.653 44.532 45.100 0.141 0.000 1.014 902 G HN 0.703 nan 8.290 nan 0.000 0.509 903 K N -0.054 120.380 120.400 0.056 0.000 2.313 903 K HA 0.853 5.172 4.320 -0.002 0.000 0.235 903 K C -1.016 175.567 176.600 -0.027 0.000 1.035 903 K CA -0.833 55.428 56.287 -0.044 0.000 0.868 903 K CB 2.458 34.914 32.500 -0.072 0.000 1.232 903 K HN 0.492 nan 8.250 nan 0.000 0.459 904 T N -0.501 114.013 114.554 -0.065 0.000 3.097 904 T HA 0.582 4.931 4.350 -0.002 0.000 0.332 904 T C -2.204 172.469 174.700 -0.044 0.000 1.269 904 T CA -0.541 61.537 62.100 -0.037 0.000 1.076 904 T CB 1.242 70.096 68.868 -0.024 0.000 1.209 904 T HN 0.606 nan 8.240 nan 0.000 0.474 905 A N 5.993 128.800 122.820 -0.022 0.000 2.411 905 A HA 0.782 5.101 4.320 -0.002 0.000 0.285 905 A C -2.993 174.590 177.584 -0.001 0.000 1.129 905 A CA -1.498 50.529 52.037 -0.017 0.000 0.736 905 A CB 0.910 19.901 19.000 -0.015 0.000 1.186 905 A HN 0.617 nan 8.150 nan 0.000 0.445 906 P HA 0.388 nan 4.420 nan 0.000 0.270 906 P C -0.295 177.013 177.300 0.013 0.000 1.227 906 P CA 0.202 63.308 63.100 0.011 0.000 0.788 906 P CB 0.490 32.194 31.700 0.007 0.000 0.926 920 L N 5.482 126.568 121.223 -0.228 0.000 2.288 920 L HA 0.522 4.861 4.340 -0.002 0.000 0.283 920 L C -0.343 176.268 176.870 -0.431 0.000 1.072 920 L CA -0.270 54.437 54.840 -0.221 0.000 0.862 920 L CB 0.237 42.199 42.059 -0.161 0.000 1.245 920 L HN 0.492 nan 8.230 nan 0.000 0.432 921 H N 2.428 121.493 119.070 -0.008 0.000 2.768 921 H HA 0.771 5.326 4.556 -0.002 0.000 0.371 921 H C -0.828 174.495 175.328 -0.007 0.000 1.151 921 H CA -0.839 55.205 56.048 -0.008 0.000 1.165 921 H CB 2.531 32.289 29.762 -0.006 0.000 1.722 921 H HN 0.531 nan 8.280 nan 0.000 0.543 922 A N 2.446 125.333 122.820 0.112 0.000 2.437 922 A HA 0.518 4.837 4.320 -0.002 0.000 0.293 922 A C -0.962 176.653 177.584 0.052 0.000 1.038 922 A CA -0.783 51.331 52.037 0.128 0.000 0.708 922 A CB 1.395 20.500 19.000 0.174 0.000 1.251 922 A HN 0.615 nan 8.150 nan 0.000 0.409 923 K N 2.215 122.631 120.400 0.025 0.000 2.463 923 K HA 0.503 4.822 4.320 -0.002 0.000 0.255 923 K C -0.196 176.408 176.600 0.007 0.000 0.942 923 K CA -0.511 55.780 56.287 0.006 0.000 0.814 923 K CB 2.666 35.158 32.500 -0.013 0.000 1.122 923 K HN 0.780 nan 8.250 nan 0.000 0.425 924 R N 0.598 121.103 120.500 0.009 0.000 2.524 924 R HA 0.288 4.628 4.340 -0.002 0.000 0.236 924 R C -0.677 175.627 176.300 0.007 0.000 1.240 924 R CA -0.620 55.487 56.100 0.011 0.000 1.111 924 R CB 0.514 30.822 30.300 0.013 0.000 1.436 924 R HN 0.440 nan 8.270 nan 0.000 0.573 925 D N 0.085 120.494 120.400 0.015 0.000 2.323 925 D HA 0.171 4.810 4.640 -0.002 0.000 0.242 925 D C -0.994 175.323 176.300 0.028 0.000 1.347 925 D CA -0.213 53.804 54.000 0.030 0.000 0.988 925 D CB 1.475 42.304 40.800 0.047 0.000 1.314 925 D HN 0.165 nan 8.370 nan 0.000 0.564 926 V N 2.361 122.283 119.914 0.013 0.000 3.099 926 V HA 0.167 4.286 4.120 -0.002 0.000 0.356 926 V C 0.937 177.038 176.094 0.011 0.000 1.364 926 V CA -0.235 62.070 62.300 0.009 0.000 1.229 926 V CB -0.520 31.298 31.823 -0.007 0.000 1.227 926 V HN 0.566 nan 8.190 nan 0.000 0.493 927 S N 0.820 116.535 115.700 0.024 0.000 2.592 927 S HA 0.420 4.889 4.470 -0.002 0.000 0.271 927 S C 0.313 174.908 174.600 -0.009 0.000 1.326 927 S CA -0.188 58.024 58.200 0.020 0.000 1.024 927 S CB 1.191 64.412 63.200 0.034 0.000 0.921 927 S HN 0.551 nan 8.310 nan 0.000 0.527 928 T N 0.965 115.500 114.554 -0.033 0.000 2.767 928 T HA 0.625 4.974 4.350 -0.002 0.000 0.284 928 T C -2.675 171.931 174.700 -0.156 0.000 0.973 928 T CA -1.695 60.365 62.100 -0.066 0.000 0.996 928 T CB 0.978 69.823 68.868 -0.039 0.000 0.927 928 T HN 0.451 nan 8.240 nan 0.000 0.456 929 P HA 0.474 nan 4.420 nan 0.000 0.337 929 P C -0.849 176.301 177.300 -0.250 0.000 1.340 929 P CA -0.904 62.087 63.100 -0.181 0.000 0.764 929 P CB 0.590 32.240 31.700 -0.083 0.000 1.718 930 L N -0.474 120.649 121.223 -0.167 0.000 2.482 930 L HA 0.404 4.743 4.340 -0.002 0.000 0.269 930 L C -0.155 176.716 176.870 0.001 0.000 0.967 930 L CA -1.038 53.713 54.840 -0.148 0.000 0.851 930 L CB 1.189 43.153 42.059 -0.160 0.000 1.242 930 L HN 0.290 nan 8.230 nan 0.000 0.404 931 R N 2.213 122.761 120.500 0.081 0.000 2.485 931 R HA -0.009 4.330 4.340 -0.002 0.000 0.304 931 R C 1.057 177.393 176.300 0.059 0.000 0.934 931 R CA 0.543 56.693 56.100 0.082 0.000 1.102 931 R CB 0.192 30.561 30.300 0.115 0.000 0.906 931 R HN 0.794 nan 8.270 nan 0.000 0.407 932 S N 1.781 117.503 115.700 0.036 0.000 2.387 932 S HA -0.280 4.189 4.470 -0.002 0.000 0.230 932 S C 1.894 176.503 174.600 0.015 0.000 1.035 932 S CA 1.721 59.934 58.200 0.021 0.000 1.014 932 S CB -0.617 62.588 63.200 0.009 0.000 0.836 932 S HN 0.839 nan 8.310 nan 0.000 0.466 933 T N 1.311 115.874 114.554 0.015 0.000 2.918 933 T HA -0.062 4.287 4.350 -0.002 0.000 0.271 933 T C 0.521 175.212 174.700 -0.014 0.000 1.104 933 T CA 0.962 63.060 62.100 -0.003 0.000 1.114 933 T CB -0.462 68.406 68.868 -0.001 0.000 0.855 933 T HN 0.491 nan 8.240 nan 0.000 0.518 934 E N 0.890 121.100 120.200 0.017 0.000 2.232 934 E HA 0.580 4.929 4.350 -0.002 0.000 0.264 934 E C -0.008 176.610 176.600 0.031 0.000 0.973 934 E CA -0.293 56.121 56.400 0.024 0.000 0.849 934 E CB 2.080 31.841 29.700 0.103 0.000 1.198 934 E HN 0.459 nan 8.360 nan 0.000 0.407 935 S N -1.045 114.673 115.700 0.031 0.000 3.070 935 S HA 0.810 5.279 4.470 -0.002 0.000 0.320 935 S C 0.261 174.885 174.600 0.039 0.000 1.215 935 S CA -0.118 58.100 58.200 0.029 0.000 0.956 935 S CB 1.197 64.402 63.200 0.009 0.000 1.337 935 S HN 0.921 nan 8.310 nan 0.000 0.639 936 G N 0.362 109.178 108.800 0.025 0.000 2.795 936 G HA2 0.021 3.980 3.960 -0.002 0.000 0.664 936 G HA3 0.021 3.980 3.960 -0.002 0.000 0.664 936 G C -0.164 174.752 174.900 0.026 0.000 1.381 936 G CA -0.401 44.712 45.100 0.022 0.000 0.853 936 G HN 1.760 nan 8.290 nan 0.000 0.545 937 I N -2.663 117.917 120.570 0.017 0.000 3.394 937 I HA 0.725 4.894 4.170 -0.002 0.000 0.264 937 I C 0.510 176.646 176.117 0.031 0.000 1.184 937 I CA -1.103 60.209 61.300 0.020 0.000 0.890 937 I CB 0.530 38.539 38.000 0.015 0.000 1.619 937 I HN 0.454 nan 8.210 nan 0.000 0.820 938 V N 2.046 121.981 119.914 0.036 0.000 2.350 938 V HA 0.088 4.207 4.120 -0.002 0.000 0.285 938 V C 0.322 176.453 176.094 0.062 0.000 1.014 938 V CA -0.125 62.207 62.300 0.054 0.000 0.831 938 V CB 0.816 32.666 31.823 0.045 0.000 1.000 938 V HN 0.851 nan 8.190 nan 0.000 0.433 939 D N 3.890 124.346 120.400 0.093 0.000 2.095 939 D HA -0.082 4.557 4.640 -0.002 0.000 0.192 939 D C 0.762 177.118 176.300 0.092 0.000 0.990 939 D CA 1.845 55.921 54.000 0.127 0.000 0.836 939 D CB 0.414 41.370 40.800 0.260 0.000 0.979 939 D HN 0.757 nan 8.370 nan 0.000 0.447 940 Q N -1.523 118.331 119.800 0.089 0.000 2.702 940 Q HA 0.459 4.798 4.340 -0.002 0.000 0.289 940 Q C -1.448 174.580 176.000 0.047 0.000 0.923 940 Q CA -0.982 54.854 55.803 0.055 0.000 0.787 940 Q CB 1.896 30.660 28.738 0.042 0.000 1.476 940 Q HN 0.074 nan 8.270 nan 0.000 0.402 941 V N -1.113 118.816 119.914 0.026 0.000 2.769 941 V HA 0.833 4.952 4.120 -0.002 0.000 0.312 941 V C -0.659 175.439 176.094 0.007 0.000 1.061 941 V CA -0.804 61.503 62.300 0.012 0.000 0.931 941 V CB 1.973 33.788 31.823 -0.012 0.000 1.010 941 V HN 0.930 nan 8.190 nan 0.000 0.433 942 M N 4.711 124.317 119.600 0.010 0.000 2.106 942 M HA 0.569 5.048 4.480 -0.002 0.000 0.288 942 M C -1.952 174.369 176.300 0.035 0.000 0.941 942 M CA -0.363 54.955 55.300 0.029 0.000 0.934 942 M CB 1.594 34.227 32.600 0.055 0.000 1.551 942 M HN 0.672 nan 8.290 nan 0.000 0.437 943 V N 4.991 124.916 119.914 0.018 0.000 2.328 943 V HA 0.504 4.623 4.120 -0.002 0.000 0.278 943 V C 0.265 176.401 176.094 0.071 0.000 1.021 943 V CA -0.109 62.201 62.300 0.016 0.000 0.838 943 V CB 1.339 33.135 31.823 -0.045 0.000 0.999 943 V HN 0.981 nan 8.190 nan 0.000 0.447 944 T N 2.879 117.524 114.554 0.152 0.000 2.633 944 T HA 0.542 4.891 4.350 -0.002 0.000 0.262 944 T C -0.363 174.424 174.700 0.145 0.000 0.920 944 T CA -0.218 61.954 62.100 0.120 0.000 1.062 944 T CB 2.154 71.070 68.868 0.081 0.000 1.390 944 T HN 0.652 nan 8.240 nan 0.000 0.549 945 T N 1.662 116.259 114.554 0.072 0.000 2.863 945 T HA 0.646 4.995 4.350 -0.002 0.000 0.285 945 T C -0.822 173.875 174.700 -0.005 0.000 1.009 945 T CA -0.822 61.323 62.100 0.076 0.000 0.989 945 T CB 0.562 69.463 68.868 0.055 0.000 1.004 945 T HN 0.743 nan 8.240 nan 0.000 0.455 946 N N 2.784 121.508 118.700 0.039 0.000 2.525 946 N HA 0.572 5.311 4.740 -0.002 0.000 0.288 946 N C -1.197 174.326 175.510 0.022 0.000 1.242 946 N CA -0.892 52.143 53.050 -0.025 0.000 0.905 946 N CB 1.236 39.746 38.487 0.039 0.000 1.258 946 N HN 0.515 nan 8.380 nan 0.000 0.551 947 Q N 0.047 119.855 119.800 0.014 0.000 3.258 947 Q HA 0.258 4.597 4.340 -0.002 0.000 0.214 947 Q C -1.054 174.968 176.000 0.037 0.000 0.873 947 Q CA -0.243 55.576 55.803 0.028 0.000 0.752 947 Q CB 0.147 28.894 28.738 0.016 0.000 1.396 947 Q HN 0.621 nan 8.270 nan 0.000 0.463 948 E N 1.215 121.447 120.200 0.053 0.000 3.333 948 E HA -0.278 4.071 4.350 -0.002 0.000 0.342 948 E C 0.314 176.946 176.600 0.054 0.000 1.501 948 E CA 1.987 58.425 56.400 0.064 0.000 1.770 948 E CB -1.370 28.384 29.700 0.090 0.000 1.817 948 E HN 1.082 nan 8.360 nan 0.000 0.485 949 G N -0.535 108.304 108.800 0.065 0.000 4.254 949 G HA2 0.246 4.205 3.960 -0.002 0.000 0.221 949 G HA3 0.246 4.205 3.960 -0.002 0.000 0.221 949 G C -0.203 174.740 174.900 0.072 0.000 0.838 949 G CA 0.198 45.332 45.100 0.058 0.000 1.093 949 G HN 0.109 nan 8.290 nan 0.000 0.761 950 L N -0.343 120.940 121.223 0.100 0.000 2.606 950 L HA 0.696 5.035 4.340 -0.002 0.000 0.255 950 L C 0.576 177.552 176.870 0.178 0.000 1.501 950 L CA -0.477 54.436 54.840 0.122 0.000 1.593 950 L CB -0.062 42.064 42.059 0.112 0.000 2.049 950 L HN 0.008 nan 8.230 nan 0.000 0.576 951 K N -0.376 120.173 120.400 0.249 0.000 2.132 951 K HA 0.502 4.821 4.320 -0.002 0.000 0.241 951 K C -1.538 175.346 176.600 0.473 0.000 1.000 951 K CA -0.292 56.200 56.287 0.341 0.000 0.911 951 K CB 1.571 34.319 32.500 0.414 0.000 1.093 951 K HN 0.333 nan 8.250 nan 0.000 0.460 952 F N 1.140 121.195 119.950 0.175 0.000 3.055 952 F HA 0.234 4.760 4.527 -0.002 0.000 0.358 952 F C -1.722 174.068 175.800 -0.016 0.000 1.262 952 F CA -0.803 57.272 58.000 0.124 0.000 1.172 952 F CB 0.922 39.981 39.000 0.099 0.000 1.503 952 F HN 0.117 nan 8.300 nan 0.000 0.621 953 V N 4.923 124.600 119.914 -0.395 0.000 2.715 953 V HA 0.593 4.712 4.120 -0.002 0.000 0.310 953 V C -0.692 175.200 176.094 -0.337 0.000 1.054 953 V CA -0.977 61.112 62.300 -0.351 0.000 0.928 953 V CB 2.118 33.599 31.823 -0.571 0.000 1.007 953 V HN 0.639 nan 8.190 nan 0.000 0.437 954 K N 2.112 122.430 120.400 -0.137 0.000 2.471 954 K HA 0.739 5.058 4.320 -0.002 0.000 0.252 954 K C -1.651 174.948 176.600 -0.003 0.000 0.938 954 K CA -0.558 55.696 56.287 -0.056 0.000 0.796 954 K CB 2.437 34.957 32.500 0.034 0.000 1.161 954 K HN 0.514 nan 8.250 nan 0.000 0.425 955 V N 3.017 122.958 119.914 0.045 0.000 2.495 955 V HA 0.508 4.627 4.120 -0.002 0.000 0.298 955 V C -0.301 175.876 176.094 0.139 0.000 1.031 955 V CA -0.933 61.419 62.300 0.088 0.000 0.871 955 V CB 1.574 33.461 31.823 0.106 0.000 0.988 955 V HN 0.676 nan 8.190 nan 0.000 0.432 956 R N 5.295 125.867 120.500 0.119 0.000 2.480 956 R HA 0.784 5.123 4.340 -0.002 0.000 0.306 956 R C -1.036 175.357 176.300 0.155 0.000 0.958 956 R CA -0.633 55.546 56.100 0.132 0.000 0.861 956 R CB 1.778 32.156 30.300 0.131 0.000 1.171 956 R HN 0.919 nan 8.270 nan 0.000 0.445 957 M N 2.897 122.592 119.600 0.158 0.000 2.393 957 M HA 0.540 5.019 4.480 -0.002 0.000 0.316 957 M C -0.584 175.743 176.300 0.046 0.000 1.087 957 M CA -0.964 54.407 55.300 0.120 0.000 0.937 957 M CB 2.199 34.889 32.600 0.150 0.000 1.668 957 M HN 0.468 nan 8.290 nan 0.000 0.438 958 R N 0.847 121.308 120.500 -0.066 0.000 2.536 958 R HA 0.781 5.120 4.340 -0.002 0.000 0.279 958 R C -0.809 175.422 176.300 -0.115 0.000 1.001 958 R CA -0.729 55.188 56.100 -0.305 0.000 1.027 958 R CB 1.557 31.563 30.300 -0.490 0.000 1.096 958 R HN 0.788 nan 8.270 nan 0.000 0.502 959 S N 1.359 117.006 115.700 -0.088 0.000 2.423 959 S HA 0.077 4.546 4.470 -0.002 0.000 0.213 959 S C -0.648 173.969 174.600 0.027 0.000 1.131 959 S CA -0.620 57.587 58.200 0.010 0.000 1.155 959 S CB 0.918 64.160 63.200 0.070 0.000 1.202 959 S HN 0.743 nan 8.310 nan 0.000 0.441 960 T N 3.788 118.360 114.554 0.031 0.000 2.934 960 T HA 0.151 4.500 4.350 -0.002 0.000 0.321 960 T C -0.290 174.428 174.700 0.029 0.000 1.080 960 T CA 0.459 62.604 62.100 0.074 0.000 1.132 960 T CB 0.071 68.999 68.868 0.101 0.000 1.039 960 T HN 0.608 nan 8.240 nan 0.000 0.543 961 R N 4.652 125.163 120.500 0.018 0.000 2.502 961 R HA 0.386 4.725 4.340 -0.002 0.000 0.300 961 R C 0.069 176.346 176.300 -0.038 0.000 0.984 961 R CA -0.642 55.451 56.100 -0.012 0.000 0.882 961 R CB 1.284 31.583 30.300 -0.002 0.000 1.180 961 R HN 0.772 nan 8.270 nan 0.000 0.444 962 I N -0.101 120.446 120.570 -0.038 0.000 2.783 962 I HA 0.606 4.775 4.170 -0.002 0.000 0.312 962 I C -2.165 173.967 176.117 0.023 0.000 0.988 962 I CA -2.855 58.428 61.300 -0.029 0.000 1.182 962 I CB 1.067 39.046 38.000 -0.035 0.000 1.368 962 I HN 0.172 nan 8.210 nan 0.000 0.511 963 P HA 0.241 nan 4.420 nan 0.000 0.276 963 P C -1.302 176.029 177.300 0.052 0.000 1.230 963 P CA -0.104 63.065 63.100 0.116 0.000 0.776 963 P CB 0.796 32.579 31.700 0.138 0.000 0.888 964 Q N 2.302 122.134 119.800 0.054 0.000 2.416 964 Q HA 0.429 4.768 4.340 -0.002 0.000 0.281 964 Q C -0.824 175.193 176.000 0.028 0.000 1.067 964 Q CA -0.943 54.873 55.803 0.021 0.000 0.809 964 Q CB 1.532 30.274 28.738 0.007 0.000 1.418 964 Q HN 0.252 nan 8.270 nan 0.000 0.411 965 I N 2.473 123.049 120.570 0.009 0.000 2.821 965 I HA 0.004 4.173 4.170 -0.002 0.000 0.294 965 I C 1.169 177.302 176.117 0.027 0.000 1.210 965 I CA 2.291 63.599 61.300 0.013 0.000 1.430 965 I CB 0.177 38.176 38.000 -0.001 0.000 1.356 965 I HN 1.062 nan 8.210 nan 0.000 0.563 966 G N 3.960 112.785 108.800 0.042 0.000 2.201 966 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.212 966 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.212 966 G C -0.063 174.862 174.900 0.041 0.000 0.994 966 G CA -0.531 44.593 45.100 0.040 0.000 0.644 966 G HN 0.561 nan 8.290 nan 0.000 0.508 967 D N 1.226 121.664 120.400 0.062 0.000 2.339 967 D HA 0.459 5.098 4.640 -0.002 0.000 0.245 967 D C 0.651 176.958 176.300 0.012 0.000 1.115 967 D CA 0.185 54.194 54.000 0.014 0.000 0.917 967 D CB 0.785 41.610 40.800 0.041 0.000 1.192 967 D HN 0.274 nan 8.370 nan 0.000 0.428 968 K N 1.200 121.490 120.400 -0.183 0.000 2.205 968 K HA 0.429 4.748 4.320 -0.002 0.000 0.279 968 K C -0.722 175.609 176.600 -0.449 0.000 1.027 968 K CA -0.275 55.916 56.287 -0.159 0.000 0.932 968 K CB 0.779 33.200 32.500 -0.131 0.000 1.032 968 K HN 0.245 nan 8.250 nan 0.000 0.466 969 F N 0.371 120.283 119.950 -0.064 0.000 2.601 969 F HA 0.593 5.119 4.527 -0.002 0.000 0.309 969 F C -0.361 175.507 175.800 0.114 0.000 1.089 969 F CA -0.850 57.136 58.000 -0.023 0.000 0.940 969 F CB 2.203 41.085 39.000 -0.197 0.000 1.273 969 F HN 0.506 nan 8.300 nan 0.000 0.450 970 A N 0.829 123.899 122.820 0.418 0.000 2.574 970 A HA 0.727 5.046 4.320 -0.002 0.000 0.297 970 A C -0.472 177.230 177.584 0.197 0.000 1.062 970 A CA -0.405 51.856 52.037 0.373 0.000 0.686 970 A CB 1.202 20.305 19.000 0.171 0.000 1.285 970 A HN 0.858 nan 8.150 nan 0.000 0.403 971 S N 1.197 116.785 115.700 -0.186 0.000 2.484 971 S HA 0.358 4.827 4.470 -0.002 0.000 0.256 971 S C 0.426 174.923 174.600 -0.172 0.000 1.223 971 S CA -0.323 57.561 58.200 -0.527 0.000 1.002 971 S CB 0.156 63.012 63.200 -0.574 0.000 1.043 971 S HN 0.646 nan 8.310 nan 0.000 0.517 972 R N 0.281 120.718 120.500 -0.105 0.000 2.831 972 R HA 0.255 4.594 4.340 -0.002 0.000 0.337 972 R C -0.491 175.764 176.300 -0.076 0.000 1.200 972 R CA 0.040 56.089 56.100 -0.086 0.000 1.088 972 R CB -0.227 29.947 30.300 -0.210 0.000 1.397 972 R HN 0.643 nan 8.270 nan 0.000 0.581 973 H N -1.101 117.944 119.070 -0.041 0.000 3.182 973 H HA 0.204 4.759 4.556 -0.001 0.000 0.254 973 H C 0.792 176.125 175.328 0.009 0.000 1.197 973 H CA 0.041 56.098 56.048 0.015 0.000 1.061 973 H CB 1.465 31.256 29.762 0.047 0.000 1.722 973 H HN 0.407 nan 8.280 nan 0.000 0.662 974 G N 1.596 110.464 108.800 0.112 0.000 2.291 974 G HA2 -0.252 3.708 3.960 -0.002 0.000 0.271 974 G HA3 -0.252 3.708 3.960 -0.002 0.000 0.271 974 G C -0.018 174.852 174.900 -0.050 0.000 1.099 974 G CA -0.368 44.745 45.100 0.020 0.000 0.919 974 G HN 0.248 nan 8.290 nan 0.000 0.496 975 Q N 0.143 119.946 119.800 0.006 0.000 2.936 975 Q HA 0.164 4.503 4.340 -0.002 0.000 0.383 975 Q C 0.692 176.729 176.000 0.062 0.000 1.167 975 Q CA -0.152 55.646 55.803 -0.008 0.000 1.038 975 Q CB 0.245 28.962 28.738 -0.036 0.000 1.409 975 Q HN 0.690 nan 8.270 nan 0.000 0.448 976 K N 0.677 121.091 120.400 0.024 0.000 2.401 976 K HA 0.056 4.375 4.320 -0.002 0.000 0.267 976 K C 0.599 177.234 176.600 0.060 0.000 1.140 976 K CA 0.469 56.786 56.287 0.050 0.000 1.199 976 K CB 0.076 32.585 32.500 0.014 0.000 0.822 976 K HN 0.309 nan 8.250 nan 0.000 0.488 977 G N 1.204 110.065 108.800 0.102 0.000 2.533 977 G HA2 0.525 4.484 3.960 -0.002 0.000 0.304 977 G HA3 0.525 4.484 3.960 -0.002 0.000 0.304 977 G C -1.230 173.720 174.900 0.082 0.000 1.263 977 G CA -0.481 44.663 45.100 0.072 0.000 0.964 977 G HN 0.389 nan 8.290 nan 0.000 0.479 978 T N 0.053 114.641 114.554 0.056 0.000 2.893 978 T HA 0.566 4.915 4.350 -0.002 0.000 0.291 978 T C -0.108 174.619 174.700 0.045 0.000 1.028 978 T CA -0.587 61.557 62.100 0.074 0.000 0.995 978 T CB 0.939 69.841 68.868 0.056 0.000 1.051 978 T HN 0.371 nan 8.240 nan 0.000 0.470 979 I N 3.441 124.047 120.570 0.060 0.000 2.588 979 I HA 0.298 4.467 4.170 -0.002 0.000 0.283 979 I C 1.534 177.665 176.117 0.024 0.000 1.119 979 I CA 0.228 61.527 61.300 -0.003 0.000 1.419 979 I CB 1.142 39.136 38.000 -0.010 0.000 1.394 979 I HN 0.924 nan 8.210 nan 0.000 0.562 980 G N 6.791 115.609 108.800 0.031 0.000 2.781 980 G HA2 0.288 4.247 3.960 -0.002 0.000 0.208 980 G HA3 0.288 4.247 3.960 -0.002 0.000 0.208 980 G C 0.348 175.285 174.900 0.061 0.000 1.099 980 G CA 0.145 45.306 45.100 0.102 0.000 0.776 980 G HN 0.423 nan 8.290 nan 0.000 0.532 981 M N -0.320 119.285 119.600 0.008 0.000 2.694 981 M HA 0.318 4.797 4.480 -0.002 0.000 0.276 981 M C -1.891 174.428 176.300 0.032 0.000 1.167 981 M CA -0.326 54.948 55.300 -0.042 0.000 0.849 981 M CB 1.745 34.312 32.600 -0.056 0.000 1.705 981 M HN -0.088 nan 8.290 nan 0.000 0.504 982 T N 2.174 116.746 114.554 0.029 0.000 3.064 982 T HA 0.560 4.909 4.350 -0.002 0.000 0.367 982 T C -1.493 173.268 174.700 0.102 0.000 1.202 982 T CA -0.168 61.964 62.100 0.053 0.000 1.133 982 T CB -0.176 68.685 68.868 -0.012 0.000 1.074 982 T HN 0.341 nan 8.240 nan 0.000 0.519 983 Y N 3.289 123.547 120.300 -0.069 0.000 2.359 983 Y HA 0.457 5.006 4.550 -0.002 0.000 0.330 983 Y C 1.403 177.285 175.900 -0.031 0.000 1.143 983 Y CA -0.796 57.281 58.100 -0.038 0.000 1.318 983 Y CB 0.569 39.021 38.460 -0.014 0.000 1.234 983 Y HN 0.513 nan 8.280 nan 0.000 0.522 984 R N 0.382 120.935 120.500 0.089 0.000 2.747 984 R HA 0.051 4.390 4.340 -0.002 0.000 0.278 984 R C 1.174 177.546 176.300 0.119 0.000 1.153 984 R CA -0.293 55.855 56.100 0.081 0.000 1.206 984 R CB 0.128 30.455 30.300 0.045 0.000 1.161 984 R HN 0.802 nan 8.270 nan 0.000 0.589 985 H N 0.385 119.480 119.070 0.041 0.000 2.387 985 H HA -0.113 4.442 4.556 -0.001 0.000 0.299 985 H C 1.084 176.483 175.328 0.118 0.000 1.090 985 H CA 2.086 58.166 56.048 0.053 0.000 1.332 985 H CB 0.381 30.152 29.762 0.014 0.000 1.386 985 H HN 0.557 nan 8.280 nan 0.000 0.516 986 E N 0.422 120.734 120.200 0.187 0.000 2.031 986 E HA -0.138 4.211 4.350 -0.002 0.000 0.193 986 E C 1.877 178.597 176.600 0.200 0.000 0.994 986 E CA 1.381 57.928 56.400 0.245 0.000 0.800 986 E CB -0.244 29.552 29.700 0.159 0.000 0.752 986 E HN 0.558 nan 8.360 nan 0.000 0.447 987 D N 0.338 120.776 120.400 0.062 0.000 2.106 987 D HA -0.130 4.509 4.640 -0.002 0.000 0.191 987 D C 0.656 176.970 176.300 0.022 0.000 0.997 987 D CA 0.885 54.886 54.000 0.001 0.000 0.834 987 D CB -0.222 40.701 40.800 0.205 0.000 0.956 987 D HN 0.143 nan 8.370 nan 0.000 0.448 988 M N 0.806 120.397 119.600 -0.015 0.000 2.252 988 M HA 0.029 4.508 4.480 -0.002 0.000 0.329 988 M C -2.061 174.059 176.300 -0.300 0.000 1.101 988 M CA -1.096 54.060 55.300 -0.241 0.000 1.117 988 M CB -0.617 31.834 32.600 -0.249 0.000 1.563 988 M HN -0.252 nan 8.290 nan 0.000 0.445 989 P HA -0.025 nan 4.420 nan 0.000 0.240 989 P C -0.743 176.422 177.300 -0.226 0.000 1.594 989 P CA 0.069 62.947 63.100 -0.369 0.000 1.184 989 P CB -1.237 30.242 31.700 -0.369 0.000 1.915 990 F N 0.245 120.133 119.950 -0.103 0.000 2.519 990 F HA 0.513 5.039 4.527 -0.001 0.000 0.375 990 F C 0.438 176.276 175.800 0.063 0.000 1.084 990 F CA -0.806 57.163 58.000 -0.051 0.000 1.147 990 F CB 0.129 39.100 39.000 -0.047 0.000 1.088 990 F HN 0.043 nan 8.300 nan 0.000 0.555 991 S N 2.457 118.277 115.700 0.199 0.000 2.542 991 S HA 0.719 5.188 4.470 -0.002 0.000 0.276 991 S C -0.257 174.399 174.600 0.094 0.000 1.148 991 S CA -0.073 58.217 58.200 0.149 0.000 0.886 991 S CB 1.346 64.515 63.200 -0.052 0.000 1.109 991 S HN 1.145 nan 8.310 nan 0.000 0.458 992 A N 3.080 125.961 122.820 0.101 0.000 2.551 992 A HA 0.304 4.623 4.320 -0.002 0.000 0.252 992 A C 1.239 178.918 177.584 0.158 0.000 1.199 992 A CA 0.343 52.508 52.037 0.213 0.000 0.972 992 A CB -0.073 19.020 19.000 0.155 0.000 1.153 992 A HN 0.710 nan 8.150 nan 0.000 0.559 993 Q N 0.288 120.151 119.800 0.105 0.000 2.230 993 Q HA 0.077 4.416 4.340 -0.002 0.000 0.202 993 Q C 0.876 176.925 176.000 0.082 0.000 0.963 993 Q CA 1.446 57.295 55.803 0.076 0.000 0.866 993 Q CB -0.050 28.741 28.738 0.088 0.000 0.931 993 Q HN 0.497 nan 8.270 nan 0.000 0.452 994 G N 1.239 110.101 108.800 0.104 0.000 2.605 994 G HA2 0.499 4.458 3.960 -0.002 0.000 0.304 994 G HA3 0.499 4.458 3.960 -0.002 0.000 0.304 994 G C -0.129 174.853 174.900 0.137 0.000 1.333 994 G CA -0.606 44.582 45.100 0.146 0.000 0.973 994 G HN 0.286 nan 8.290 nan 0.000 0.507 995 I N 0.707 121.343 120.570 0.110 0.000 3.640 995 I HA 0.803 4.972 4.170 -0.002 0.000 0.288 995 I C -0.498 175.662 176.117 0.072 0.000 1.248 995 I CA -1.325 60.031 61.300 0.094 0.000 0.911 995 I CB 1.256 39.293 38.000 0.062 0.000 1.533 995 I HN 0.289 nan 8.210 nan 0.000 0.686 996 V N 2.041 121.975 119.914 0.034 0.000 2.686 996 V HA 0.521 4.640 4.120 -0.002 0.000 0.306 996 V C -2.645 173.410 176.094 -0.066 0.000 1.065 996 V CA -1.745 60.520 62.300 -0.058 0.000 0.894 996 V CB 1.888 33.598 31.823 -0.189 0.000 1.004 996 V HN 0.756 nan 8.190 nan 0.000 0.424 997 P HA 0.222 nan 4.420 nan 0.000 0.265 997 P C -0.316 176.925 177.300 -0.098 0.000 1.193 997 P CA 0.201 63.233 63.100 -0.113 0.000 0.765 997 P CB 0.626 32.222 31.700 -0.174 0.000 0.823 998 D N 1.829 122.192 120.400 -0.062 0.000 2.137 998 D HA 0.029 4.668 4.640 -0.002 0.000 0.202 998 D C 1.009 177.238 176.300 -0.118 0.000 0.970 998 D CA 1.250 55.224 54.000 -0.045 0.000 0.837 998 D CB 0.052 40.867 40.800 0.025 0.000 0.981 998 D HN 0.428 nan 8.370 nan 0.000 0.475 999 I N -1.876 118.601 120.570 -0.155 0.000 2.894 999 I HA 0.461 4.630 4.170 -0.002 0.000 0.302 999 I C -1.449 174.545 176.117 -0.206 0.000 1.188 999 I CA -1.273 59.877 61.300 -0.248 0.000 1.014 999 I CB 3.161 40.914 38.000 -0.412 0.000 1.242 999 I HN -0.187 nan 8.210 nan 0.000 0.430 1000 I N 4.032 124.474 120.570 -0.214 0.000 2.500 1000 I HA 0.555 4.724 4.170 -0.002 0.000 0.286 1000 I C -1.031 175.016 176.117 -0.117 0.000 1.063 1000 I CA -0.700 60.507 61.300 -0.154 0.000 1.062 1000 I CB 1.785 39.674 38.000 -0.184 0.000 1.223 1000 I HN 0.720 nan 8.210 nan 0.000 0.435 1001 I N 3.596 124.129 120.570 -0.061 0.000 2.797 1001 I HA 0.564 4.733 4.170 -0.002 0.000 0.310 1001 I C -0.089 176.027 176.117 -0.001 0.000 0.990 1001 I CA -0.282 60.995 61.300 -0.037 0.000 1.228 1001 I CB 0.788 38.783 38.000 -0.009 0.000 1.406 1001 I HN 0.730 nan 8.210 nan 0.000 0.534 1002 N N 2.538 121.244 118.700 0.011 0.000 2.456 1002 N HA 0.469 5.208 4.740 -0.002 0.000 0.288 1002 N C -2.095 173.447 175.510 0.053 0.000 1.059 1002 N CA -2.117 50.963 53.050 0.050 0.000 0.946 1002 N CB 1.369 39.897 38.487 0.068 0.000 1.150 1002 N HN 0.341 nan 8.380 nan 0.000 0.479 1003 P HA -0.094 nan 4.420 nan 0.000 0.223 1003 P C -0.050 177.201 177.300 -0.082 0.000 1.144 1003 P CA 1.285 64.371 63.100 -0.023 0.000 0.783 1003 P CB 0.037 31.701 31.700 -0.060 0.000 0.771 1004 H N -1.529 117.527 119.070 -0.023 0.000 2.547 1004 H HA 0.278 4.833 4.556 -0.002 0.000 0.266 1004 H C 1.303 176.607 175.328 -0.041 0.000 0.988 1004 H CA 0.479 56.510 56.048 -0.028 0.000 1.147 1004 H CB -0.302 29.446 29.762 -0.024 0.000 1.365 1004 H HN 0.032 nan 8.280 nan 0.000 0.589 1005 A N 0.405 123.246 122.820 0.036 0.000 2.734 1005 A HA 0.193 4.512 4.320 -0.002 0.000 0.279 1005 A C 0.603 178.144 177.584 -0.072 0.000 1.386 1005 A CA 0.112 52.135 52.037 -0.023 0.000 0.987 1005 A CB -0.426 18.547 19.000 -0.046 0.000 1.041 1005 A HN 0.184 nan 8.150 nan 0.000 0.569 1006 I N -0.853 119.678 120.570 -0.065 0.000 4.021 1006 I HA 0.161 4.330 4.170 -0.002 0.000 0.245 1006 I C -1.139 174.940 176.117 -0.063 0.000 1.093 1006 I CA -0.281 60.969 61.300 -0.083 0.000 1.702 1006 I CB -1.652 36.287 38.000 -0.101 0.000 1.597 1006 I HN -0.006 nan 8.210 nan 0.000 0.443 1007 P HA -0.135 nan 4.420 nan 0.000 0.217 1007 P C 1.706 178.991 177.300 -0.026 0.000 1.148 1007 P CA 2.193 65.263 63.100 -0.049 0.000 0.834 1007 P CB -0.016 31.649 31.700 -0.059 0.000 0.783 1008 S N -0.936 114.753 115.700 -0.018 0.000 2.441 1008 S HA 0.034 4.504 4.470 -0.002 0.000 0.224 1008 S C 1.657 176.252 174.600 -0.007 0.000 1.043 1008 S CA 0.013 58.210 58.200 -0.005 0.000 0.948 1008 S CB -0.621 62.582 63.200 0.005 0.000 0.810 1008 S HN 0.106 nan 8.310 nan 0.000 0.504 1009 R N 1.030 121.518 120.500 -0.019 0.000 2.335 1009 R HA 0.368 4.707 4.340 -0.002 0.000 0.223 1009 R C -0.204 176.091 176.300 -0.009 0.000 0.940 1009 R CA -0.166 55.920 56.100 -0.023 0.000 1.086 1009 R CB -0.655 29.614 30.300 -0.052 0.000 1.073 1009 R HN 0.373 nan 8.270 nan 0.000 0.504 1010 M N 1.763 121.359 119.600 -0.006 0.000 3.923 1010 M HA -0.213 4.266 4.480 -0.002 0.000 0.187 1010 M C 0.084 176.398 176.300 0.022 0.000 1.519 1010 M CA 1.141 56.444 55.300 0.005 0.000 1.063 1010 M CB -0.682 31.930 32.600 0.021 0.000 1.360 1010 M HN 0.135 nan 8.290 nan 0.000 0.275 1011 T N 1.563 116.123 114.554 0.010 0.000 3.816 1011 T HA 0.421 4.770 4.350 -0.002 0.000 0.232 1011 T C 0.456 175.172 174.700 0.028 0.000 1.125 1011 T CA -0.642 61.487 62.100 0.049 0.000 1.609 1011 T CB 0.165 69.053 68.868 0.033 0.000 0.805 1011 T HN 0.357 nan 8.240 nan 0.000 0.647 1012 V N 1.544 121.468 119.914 0.017 0.000 3.241 1012 V HA 0.047 4.166 4.120 -0.002 0.000 0.269 1012 V C 2.768 178.807 176.094 -0.091 0.000 1.151 1012 V CA 1.652 63.921 62.300 -0.051 0.000 1.158 1012 V CB -1.253 30.543 31.823 -0.045 0.000 0.764 1012 V HN 0.818 nan 8.190 nan 0.000 0.508 1013 A N 0.047 122.882 122.820 0.025 0.000 1.897 1013 A HA -0.205 4.114 4.320 -0.002 0.000 0.215 1013 A C 2.086 179.620 177.584 -0.083 0.000 1.181 1013 A CA 1.679 53.750 52.037 0.057 0.000 0.620 1013 A CB -0.756 18.450 19.000 0.343 0.000 0.821 1013 A HN 0.644 nan 8.150 nan 0.000 0.443 1014 H N 0.286 119.080 119.070 -0.460 0.000 2.321 1014 H HA -0.163 4.392 4.556 -0.001 0.000 0.295 1014 H C 1.783 176.916 175.328 -0.324 0.000 1.102 1014 H CA 2.272 57.836 56.048 -0.806 0.000 1.266 1014 H CB -0.220 29.165 29.762 -0.629 0.000 1.363 1014 H HN 0.378 nan 8.280 nan 0.000 0.492 1015 L N -0.770 120.399 121.223 -0.091 0.000 1.943 1015 L HA -0.218 4.121 4.340 -0.002 0.000 0.215 1015 L C 2.577 179.383 176.870 -0.108 0.000 1.074 1015 L CA 1.511 56.311 54.840 -0.067 0.000 0.759 1015 L CB -0.956 40.951 42.059 -0.253 0.000 0.888 1015 L HN 0.220 nan 8.230 nan 0.000 0.433 1016 V N 0.236 119.995 119.914 -0.258 0.000 2.277 1016 V HA -0.389 3.730 4.120 -0.002 0.000 0.253 1016 V C 2.619 178.447 176.094 -0.442 0.000 1.067 1016 V CA 2.338 64.407 62.300 -0.384 0.000 1.047 1016 V CB -0.667 30.779 31.823 -0.628 0.000 0.649 1016 V HN 0.570 nan 8.190 nan 0.000 0.447 1017 E N -0.853 119.060 120.200 -0.478 0.000 2.097 1017 E HA -0.286 4.064 4.350 -0.002 0.000 0.196 1017 E C 2.190 178.640 176.600 -0.250 0.000 1.000 1017 E CA 2.160 58.329 56.400 -0.385 0.000 0.804 1017 E CB -0.175 29.385 29.700 -0.234 0.000 0.740 1017 E HN 0.735 nan 8.360 nan 0.000 0.454 1018 C N 0.570 119.740 119.300 -0.216 0.000 2.450 1018 C HA -0.042 4.417 4.460 -0.002 0.000 0.279 1018 C C 2.714 177.578 174.990 -0.210 0.000 1.335 1018 C CA 0.599 59.494 59.018 -0.204 0.000 1.749 1018 C CB -0.870 26.748 27.740 -0.204 0.000 1.963 1018 C HN 0.559 nan 8.230 nan 0.000 0.501 1019 Q N 0.141 119.877 119.800 -0.106 0.000 2.172 1019 Q HA -0.080 4.259 4.340 -0.002 0.000 0.200 1019 Q C 2.132 178.042 176.000 -0.151 0.000 0.964 1019 Q CA 1.031 56.771 55.803 -0.105 0.000 0.855 1019 Q CB -0.041 28.681 28.738 -0.027 0.000 0.918 1019 Q HN 0.707 nan 8.270 nan 0.000 0.444 1020 L N -0.107 121.018 121.223 -0.163 0.000 2.168 1020 L HA -0.102 4.237 4.340 -0.002 0.000 0.203 1020 L C 2.573 179.366 176.870 -0.128 0.000 1.078 1020 L CA 1.078 55.840 54.840 -0.129 0.000 0.780 1020 L CB -0.259 41.728 42.059 -0.120 0.000 0.939 1020 L HN 0.288 nan 8.230 nan 0.000 0.451 1021 S N -0.075 115.540 115.700 -0.141 0.000 2.369 1021 S HA -0.368 4.101 4.470 -0.002 0.000 0.225 1021 S C 2.050 176.551 174.600 -0.164 0.000 1.043 1021 S CA 1.878 59.999 58.200 -0.131 0.000 1.074 1021 S CB -0.644 62.484 63.200 -0.120 0.000 0.962 1021 S HN 0.373 nan 8.310 nan 0.000 0.433 1022 K N 0.583 120.857 120.400 -0.210 0.000 2.049 1022 K HA -0.157 4.163 4.320 -0.002 0.000 0.219 1022 K C 1.940 178.359 176.600 -0.303 0.000 1.056 1022 K CA 2.186 58.307 56.287 -0.278 0.000 0.946 1022 K CB -0.706 31.595 32.500 -0.333 0.000 0.723 1022 K HN 0.356 nan 8.250 nan 0.000 0.453 1023 V N 1.438 121.191 119.914 -0.268 0.000 3.026 1023 V HA -0.149 3.970 4.120 -0.002 0.000 0.265 1023 V C 1.431 177.408 176.094 -0.196 0.000 1.121 1023 V CA 1.766 63.894 62.300 -0.286 0.000 1.142 1023 V CB -0.408 31.302 31.823 -0.189 0.000 0.730 1023 V HN 0.462 nan 8.190 nan 0.000 0.503 1024 S N -0.470 115.146 115.700 -0.140 0.000 2.768 1024 S HA 0.465 4.934 4.470 -0.002 0.000 0.246 1024 S C 1.015 175.544 174.600 -0.118 0.000 1.006 1024 S CA 0.253 58.404 58.200 -0.083 0.000 1.075 1024 S CB 0.266 63.426 63.200 -0.066 0.000 0.786 1024 S HN 0.465 nan 8.310 nan 0.000 0.468 1025 A N 2.094 124.796 122.820 -0.195 0.000 3.470 1025 A HA 0.442 4.761 4.320 -0.002 0.000 0.174 1025 A C 1.018 178.555 177.584 -0.078 0.000 1.652 1025 A CA -0.165 51.758 52.037 -0.189 0.000 0.777 1025 A CB -0.806 17.982 19.000 -0.353 0.000 1.128 1025 A HN 0.576 nan 8.150 nan 0.000 0.452 1026 L N 0.944 122.158 121.223 -0.016 0.000 2.544 1026 L HA 0.082 4.421 4.340 -0.002 0.000 0.240 1026 L C 0.795 177.835 176.870 0.283 0.000 1.421 1026 L CA 0.562 55.525 54.840 0.205 0.000 1.206 1026 L CB -0.451 41.875 42.059 0.446 0.000 1.463 1026 L HN 0.800 nan 8.230 nan 0.000 0.437 1027 S N -2.164 113.628 115.700 0.153 0.000 4.997 1027 S HA 0.233 4.702 4.470 -0.002 0.000 0.169 1027 S C 1.202 175.787 174.600 -0.024 0.000 1.122 1027 S CA 0.416 58.757 58.200 0.234 0.000 1.305 1027 S CB 0.307 63.744 63.200 0.395 0.000 1.806 1027 S HN 0.461 nan 8.310 nan 0.000 0.547 1028 G N 1.333 110.115 108.800 -0.030 0.000 2.199 1028 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.254 1028 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.254 1028 G C -0.036 174.777 174.900 -0.145 0.000 0.982 1028 G CA 0.081 45.107 45.100 -0.122 0.000 0.632 1028 G HN 0.667 nan 8.290 nan 0.000 0.529 1029 F N 2.539 122.475 119.950 -0.024 0.000 2.474 1029 F HA 0.215 4.741 4.527 -0.002 0.000 0.375 1029 F C 1.313 177.088 175.800 -0.043 0.000 1.090 1029 F CA 0.737 58.721 58.000 -0.025 0.000 1.044 1029 F CB 0.274 39.269 39.000 -0.009 0.000 1.018 1029 F HN 0.344 nan 8.300 nan 0.000 0.560 1030 E N 3.761 123.997 120.200 0.060 0.000 2.918 1030 E HA -0.039 4.310 4.350 -0.002 0.000 0.232 1030 E C 0.563 177.185 176.600 0.036 0.000 1.073 1030 E CA -0.284 56.122 56.400 0.011 0.000 0.949 1030 E CB 0.169 29.854 29.700 -0.026 0.000 0.937 1030 E HN 0.734 nan 8.360 nan 0.000 0.536 1031 G N 5.392 114.207 108.800 0.025 0.000 2.372 1031 G HA2 -0.006 3.953 3.960 -0.002 0.000 0.286 1031 G HA3 -0.006 3.953 3.960 -0.002 0.000 0.286 1031 G C -0.179 174.738 174.900 0.028 0.000 1.153 1031 G CA -0.452 44.670 45.100 0.036 0.000 0.985 1031 G HN 0.757 nan 8.290 nan 0.000 0.429 1032 D N 1.440 121.842 120.400 0.003 0.000 2.443 1032 D HA 0.272 4.911 4.640 -0.002 0.000 0.239 1032 D C 0.623 176.929 176.300 0.010 0.000 1.136 1032 D CA -0.175 53.799 54.000 -0.043 0.000 0.879 1032 D CB 1.677 42.410 40.800 -0.113 0.000 1.195 1032 D HN 0.291 nan 8.370 nan 0.000 0.443 1033 A N 2.217 125.025 122.820 -0.019 0.000 2.606 1033 A HA 0.215 4.534 4.320 -0.002 0.000 0.290 1033 A C 0.527 177.895 177.584 -0.360 0.000 1.174 1033 A CA -0.636 51.395 52.037 -0.010 0.000 0.958 1033 A CB -0.310 18.915 19.000 0.375 0.000 1.194 1033 A HN 0.534 nan 8.150 nan 0.000 0.526 1034 T N 3.205 117.602 114.554 -0.263 0.000 2.800 1034 T HA 0.079 4.428 4.350 -0.002 0.000 0.283 1034 T C -1.233 173.371 174.700 -0.160 0.000 0.999 1034 T CA 0.019 62.025 62.100 -0.156 0.000 1.176 1034 T CB 0.555 69.384 68.868 -0.065 0.000 0.973 1034 T HN 0.203 nan 8.240 nan 0.000 0.519 1035 P HA -0.160 nan 4.420 nan 0.000 0.222 1035 P C 0.014 176.958 177.300 -0.593 0.000 1.157 1035 P CA 1.521 64.444 63.100 -0.296 0.000 0.905 1035 P CB 0.046 31.755 31.700 0.015 0.000 0.792 1036 F N -2.202 117.794 119.950 0.076 0.000 2.646 1036 F HA 0.518 5.045 4.527 -0.001 0.000 0.364 1036 F C 0.501 176.346 175.800 0.075 0.000 1.137 1036 F CA -0.614 57.403 58.000 0.029 0.000 1.085 1036 F CB 1.116 40.105 39.000 -0.018 0.000 1.331 1036 F HN -0.315 nan 8.300 nan 0.000 0.472 1037 T N -0.175 114.465 114.554 0.143 0.000 2.812 1037 T HA 0.269 4.619 4.350 -0.002 0.000 0.294 1037 T C 0.369 175.118 174.700 0.082 0.000 1.159 1037 T CA -0.529 61.652 62.100 0.134 0.000 1.008 1037 T CB 1.258 70.180 68.868 0.089 0.000 1.289 1037 T HN 0.497 nan 8.240 nan 0.000 0.514 1038 D N 0.566 121.014 120.400 0.080 0.000 2.347 1038 D HA 0.019 4.658 4.640 -0.002 0.000 0.215 1038 D C 0.874 177.212 176.300 0.063 0.000 0.976 1038 D CA 0.239 54.278 54.000 0.066 0.000 0.884 1038 D CB -0.572 40.264 40.800 0.060 0.000 0.915 1038 D HN 0.235 nan 8.370 nan 0.000 0.526 1039 V N 0.713 120.661 119.914 0.057 0.000 2.493 1039 V HA 0.128 4.247 4.120 -0.002 0.000 0.292 1039 V C 0.645 176.810 176.094 0.119 0.000 1.016 1039 V CA 0.592 62.936 62.300 0.073 0.000 1.097 1039 V CB 0.513 32.373 31.823 0.061 0.000 0.947 1039 V HN 0.296 nan 8.190 nan 0.000 0.479 1040 T N 3.913 118.537 114.554 0.116 0.000 2.926 1040 T HA 0.411 4.760 4.350 -0.002 0.000 0.289 1040 T C 0.988 175.755 174.700 0.112 0.000 1.054 1040 T CA -0.386 61.795 62.100 0.134 0.000 1.015 1040 T CB 1.862 70.791 68.868 0.102 0.000 1.167 1040 T HN 0.186 nan 8.240 nan 0.000 0.526 1041 V N 2.314 122.286 119.914 0.096 0.000 2.233 1041 V HA -0.106 4.013 4.120 -0.002 0.000 0.247 1041 V C 2.596 178.710 176.094 0.034 0.000 1.050 1041 V CA 1.837 64.161 62.300 0.040 0.000 1.010 1041 V CB -0.548 31.280 31.823 0.010 0.000 0.637 1041 V HN 0.820 nan 8.190 nan 0.000 0.444 1042 E N -0.041 120.184 120.200 0.041 0.000 2.273 1042 E HA -0.208 4.141 4.350 -0.002 0.000 0.198 1042 E C 2.162 178.785 176.600 0.038 0.000 1.002 1042 E CA 1.403 57.825 56.400 0.036 0.000 0.828 1042 E CB -0.324 29.399 29.700 0.038 0.000 0.747 1042 E HN 0.640 nan 8.360 nan 0.000 0.491 1043 A N 0.476 123.323 122.820 0.046 0.000 1.878 1043 A HA -0.043 4.277 4.320 -0.002 0.000 0.213 1043 A C 2.528 180.135 177.584 0.038 0.000 1.192 1043 A CA 0.779 52.842 52.037 0.043 0.000 0.619 1043 A CB -0.314 18.717 19.000 0.051 0.000 0.837 1043 A HN 0.127 nan 8.150 nan 0.000 0.446 1044 V N 1.388 121.324 119.914 0.037 0.000 2.453 1044 V HA -0.219 3.900 4.120 -0.002 0.000 0.247 1044 V C 2.931 179.034 176.094 0.016 0.000 1.048 1044 V CA 2.120 64.434 62.300 0.022 0.000 1.049 1044 V CB -1.080 30.750 31.823 0.011 0.000 0.672 1044 V HN 0.768 nan 8.190 nan 0.000 0.457 1045 S N 1.067 116.778 115.700 0.018 0.000 2.369 1045 S HA -0.362 4.107 4.470 -0.002 0.000 0.225 1045 S C 1.941 176.568 174.600 0.044 0.000 1.043 1045 S CA 1.948 60.163 58.200 0.024 0.000 1.074 1045 S CB -0.657 62.557 63.200 0.023 0.000 0.962 1045 S HN 0.595 nan 8.310 nan 0.000 0.433 1046 K N 1.275 121.702 120.400 0.045 0.000 2.089 1046 K HA -0.019 4.300 4.320 -0.002 0.000 0.210 1046 K C 2.099 178.741 176.600 0.070 0.000 1.048 1046 K CA 1.652 57.970 56.287 0.052 0.000 0.926 1046 K CB -0.651 31.873 32.500 0.040 0.000 0.714 1046 K HN 0.404 nan 8.250 nan 0.000 0.448 1047 L N 0.893 122.157 121.223 0.067 0.000 2.450 1047 L HA -0.149 4.190 4.340 -0.002 0.000 0.224 1047 L C 2.128 179.091 176.870 0.155 0.000 1.149 1047 L CA 0.511 55.413 54.840 0.103 0.000 0.816 1047 L CB -0.318 41.779 42.059 0.065 0.000 0.932 1047 L HN 0.241 nan 8.230 nan 0.000 0.449 1048 L N -0.510 120.773 121.223 0.101 0.000 2.056 1048 L HA -0.120 4.219 4.340 -0.002 0.000 0.202 1048 L C 2.740 179.741 176.870 0.217 0.000 1.086 1048 L CA 0.948 55.848 54.840 0.100 0.000 0.758 1048 L CB -0.350 41.737 42.059 0.047 0.000 0.912 1048 L HN 0.160 nan 8.230 nan 0.000 0.446 1049 R N -0.361 120.245 120.500 0.176 0.000 2.249 1049 R HA -0.193 4.146 4.340 -0.002 0.000 0.230 1049 R C 2.269 178.683 176.300 0.190 0.000 1.121 1049 R CA 1.234 57.446 56.100 0.186 0.000 0.997 1049 R CB -0.188 30.185 30.300 0.122 0.000 0.867 1049 R HN 0.227 nan 8.270 nan 0.000 0.465 1050 S N -0.400 115.413 115.700 0.188 0.000 2.461 1050 S HA -0.178 4.291 4.470 -0.002 0.000 0.246 1050 S C 0.588 175.191 174.600 0.005 0.000 1.007 1050 S CA 1.492 59.751 58.200 0.099 0.000 0.976 1050 S CB -0.137 63.118 63.200 0.092 0.000 0.763 1050 S HN 0.576 nan 8.310 nan 0.000 0.508 1051 H N -1.573 117.589 119.070 0.152 0.000 2.893 1051 H HA 0.431 4.986 4.556 -0.002 0.000 0.270 1051 H C 1.398 176.928 175.328 0.336 0.000 1.095 1051 H CA 0.217 56.398 56.048 0.221 0.000 1.186 1051 H CB 0.779 30.654 29.762 0.189 0.000 1.562 1051 H HN 0.354 nan 8.280 nan 0.000 0.536 1052 G N -0.605 108.412 108.800 0.363 0.000 2.192 1052 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.193 1052 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.193 1052 G C -0.060 174.870 174.900 0.051 0.000 0.999 1052 G CA -0.359 44.827 45.100 0.143 0.000 0.659 1052 G HN 0.138 nan 8.290 nan 0.000 0.503 1053 F N 0.646 120.641 119.950 0.075 0.000 2.294 1053 F HA 0.748 5.274 4.527 -0.002 0.000 0.319 1053 F C 0.906 176.741 175.800 0.058 0.000 1.107 1053 F CA -0.764 57.269 58.000 0.054 0.000 1.094 1053 F CB 0.275 39.294 39.000 0.031 0.000 1.508 1053 F HN -0.091 nan 8.300 nan 0.000 0.506 1054 Q N -0.127 119.842 119.800 0.281 0.000 2.296 1054 Q HA 0.250 4.589 4.340 -0.002 0.000 0.257 1054 Q C 0.029 176.123 176.000 0.156 0.000 0.942 1054 Q CA -0.313 55.607 55.803 0.196 0.000 0.939 1054 Q CB 1.004 29.875 28.738 0.223 0.000 1.198 1054 Q HN 0.499 nan 8.270 nan 0.000 0.429 1055 S N 3.218 118.992 115.700 0.124 0.000 3.612 1055 S HA -0.004 4.465 4.470 -0.002 0.000 0.214 1055 S C 0.399 175.029 174.600 0.050 0.000 1.178 1055 S CA -0.194 58.056 58.200 0.084 0.000 1.121 1055 S CB -0.388 62.858 63.200 0.077 0.000 1.344 1055 S HN 0.752 nan 8.310 nan 0.000 0.447 1056 R N -1.589 118.927 120.500 0.027 0.000 2.283 1056 R HA 0.171 4.510 4.340 -0.002 0.000 0.138 1056 R C 0.973 177.176 176.300 -0.162 0.000 0.575 1056 R CA 0.523 56.581 56.100 -0.070 0.000 0.876 1056 R CB -1.158 29.122 30.300 -0.032 0.000 1.284 1056 R HN 0.955 nan 8.270 nan 0.000 0.489 1057 G N 1.446 110.230 108.800 -0.027 0.000 2.475 1057 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.209 1057 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.209 1057 G C 0.375 175.297 174.900 0.038 0.000 1.127 1057 G CA -0.033 45.068 45.100 0.002 0.000 0.681 1057 G HN 0.132 nan 8.290 nan 0.000 0.517 1058 F N 1.474 121.559 119.950 0.224 0.000 2.731 1058 F HA 0.375 4.902 4.527 -0.001 0.000 0.288 1058 F C 1.166 177.014 175.800 0.081 0.000 1.100 1058 F CA 1.534 59.626 58.000 0.154 0.000 1.283 1058 F CB 0.133 39.204 39.000 0.118 0.000 1.032 1058 F HN 0.467 nan 8.300 nan 0.000 0.639 1059 E N -1.278 119.090 120.200 0.280 0.000 2.389 1059 E HA 0.350 4.699 4.350 -0.002 0.000 0.281 1059 E C -1.649 174.956 176.600 0.008 0.000 1.111 1059 E CA -0.737 55.731 56.400 0.115 0.000 0.869 1059 E CB 1.540 31.295 29.700 0.091 0.000 1.259 1059 E HN 0.320 nan 8.360 nan 0.000 0.434 1060 V N 0.241 120.106 119.914 -0.081 0.000 2.953 1060 V HA 0.614 4.733 4.120 -0.002 0.000 0.304 1060 V C 0.177 176.080 176.094 -0.319 0.000 1.073 1060 V CA -0.414 61.766 62.300 -0.201 0.000 1.064 1060 V CB 0.979 32.647 31.823 -0.258 0.000 1.047 1060 V HN 0.569 nan 8.190 nan 0.000 0.478 1061 M N 2.562 121.920 119.600 -0.403 0.000 2.324 1061 M HA 0.480 4.959 4.480 -0.002 0.000 0.288 1061 M C -1.708 174.351 176.300 -0.403 0.000 1.097 1061 M CA -0.207 54.876 55.300 -0.361 0.000 0.928 1061 M CB 2.426 34.935 32.600 -0.151 0.000 1.648 1061 M HN 0.788 nan 8.290 nan 0.000 0.460 1062 Y N 0.742 121.018 120.300 -0.040 0.000 2.331 1062 Y HA 0.306 4.855 4.550 -0.002 0.000 0.338 1062 Y C 0.457 176.261 175.900 -0.160 0.000 0.992 1062 Y CA -0.710 57.350 58.100 -0.066 0.000 1.121 1062 Y CB 1.009 39.432 38.460 -0.062 0.000 1.184 1062 Y HN 0.607 nan 8.280 nan 0.000 0.469 1063 H N 1.484 120.576 119.070 0.036 0.000 2.948 1063 H HA 0.033 4.588 4.556 -0.001 0.000 0.351 1063 H C 1.195 176.409 175.328 -0.191 0.000 1.079 1063 H CA 1.187 57.240 56.048 0.009 0.000 1.407 1063 H CB 1.159 30.966 29.762 0.075 0.000 1.373 1063 H HN 0.943 nan 8.280 nan 0.000 0.605 1064 G N 1.901 110.456 108.800 -0.409 0.000 2.453 1064 G HA2 -0.156 3.803 3.960 -0.002 0.000 0.215 1064 G HA3 -0.156 3.803 3.960 -0.002 0.000 0.215 1064 G C 0.951 175.783 174.900 -0.112 0.000 1.147 1064 G CA 0.458 45.306 45.100 -0.419 0.000 0.802 1064 G HN 0.697 nan 8.290 nan 0.000 0.535 1065 H N -0.694 118.529 119.070 0.254 0.000 2.266 1065 H HA 0.071 4.626 4.556 -0.001 0.000 0.308 1065 H C 2.780 178.210 175.328 0.170 0.000 1.057 1065 H CA 1.869 58.064 56.048 0.244 0.000 1.330 1065 H CB -0.245 29.677 29.762 0.268 0.000 1.400 1065 H HN 0.270 nan 8.280 nan 0.000 0.503 1066 T N -1.916 112.819 114.554 0.302 0.000 2.939 1066 T HA 0.161 4.510 4.350 -0.002 0.000 0.254 1066 T C 1.701 176.459 174.700 0.097 0.000 1.041 1066 T CA 1.349 63.530 62.100 0.135 0.000 1.142 1066 T CB -0.470 68.421 68.868 0.039 0.000 0.874 1066 T HN 0.680 nan 8.240 nan 0.000 0.452 1067 G N 1.001 109.861 108.800 0.099 0.000 2.201 1067 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.212 1067 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.212 1067 G C 0.221 175.161 174.900 0.066 0.000 0.994 1067 G CA 0.280 45.404 45.100 0.040 0.000 0.644 1067 G HN 0.787 nan 8.290 nan 0.000 0.508 1068 R N 1.973 122.532 120.500 0.097 0.000 2.538 1068 R HA 0.387 4.726 4.340 -0.002 0.000 0.282 1068 R C 0.773 177.222 176.300 0.248 0.000 1.009 1068 R CA 0.215 56.383 56.100 0.113 0.000 1.063 1068 R CB 0.144 30.468 30.300 0.041 0.000 0.945 1068 R HN 0.384 nan 8.270 nan 0.000 0.414 1069 K N 4.404 124.992 120.400 0.313 0.000 2.469 1069 K HA 0.016 4.335 4.320 -0.002 0.000 0.274 1069 K C -0.184 176.487 176.600 0.118 0.000 0.983 1069 K CA 0.079 56.539 56.287 0.288 0.000 0.974 1069 K CB 0.280 32.910 32.500 0.217 0.000 0.913 1069 K HN 0.486 nan 8.250 nan 0.000 0.493 1070 L N 3.199 124.451 121.223 0.048 0.000 2.367 1070 L HA -0.005 4.334 4.340 -0.002 0.000 0.275 1070 L C 1.852 178.720 176.870 -0.004 0.000 1.129 1070 L CA -0.585 54.278 54.840 0.038 0.000 0.839 1070 L CB 0.720 42.810 42.059 0.051 0.000 1.133 1070 L HN 0.527 nan 8.230 nan 0.000 0.453 1071 V N 2.397 122.309 119.914 -0.002 0.000 2.250 1071 V HA -0.321 3.798 4.120 -0.002 0.000 0.253 1071 V C 1.411 177.477 176.094 -0.047 0.000 1.065 1071 V CA 2.184 64.471 62.300 -0.021 0.000 1.039 1071 V CB -0.787 31.024 31.823 -0.020 0.000 0.647 1071 V HN 0.934 nan 8.190 nan 0.000 0.446 1072 A N 0.361 123.152 122.820 -0.048 0.000 2.271 1072 A HA 0.540 4.860 4.320 -0.002 0.000 0.288 1072 A C -0.038 177.482 177.584 -0.107 0.000 1.094 1072 A CA -0.489 51.496 52.037 -0.087 0.000 0.828 1072 A CB 0.372 19.332 19.000 -0.067 0.000 1.091 1072 A HN 0.426 nan 8.150 nan 0.000 0.493 1073 Q N 0.529 120.213 119.800 -0.194 0.000 2.257 1073 Q HA 0.457 4.796 4.340 -0.002 0.000 0.255 1073 Q C -0.624 175.329 176.000 -0.078 0.000 0.920 1073 Q CA -0.513 55.170 55.803 -0.199 0.000 0.927 1073 Q CB 1.312 29.808 28.738 -0.403 0.000 1.229 1073 Q HN 0.361 nan 8.270 nan 0.000 0.433 1074 V N 2.878 122.831 119.914 0.065 0.000 2.567 1074 V HA 0.209 4.328 4.120 -0.002 0.000 0.289 1074 V C -0.222 176.110 176.094 0.396 0.000 1.049 1074 V CA -0.606 61.800 62.300 0.176 0.000 0.969 1074 V CB 0.730 32.591 31.823 0.065 0.000 0.995 1074 V HN 0.660 nan 8.190 nan 0.000 0.471 1075 F N 6.259 126.364 119.950 0.259 0.000 2.462 1075 F HA 0.436 4.962 4.527 -0.002 0.000 0.354 1075 F C -0.182 175.645 175.800 0.046 0.000 1.192 1075 F CA -0.364 57.720 58.000 0.141 0.000 1.173 1075 F CB 0.171 39.204 39.000 0.055 0.000 1.402 1075 F HN 0.356 nan 8.300 nan 0.000 0.595 1076 L N 5.429 126.510 121.223 -0.238 0.000 2.295 1076 L HA 0.856 5.195 4.340 -0.002 0.000 0.285 1076 L C -0.278 176.319 176.870 -0.455 0.000 1.035 1076 L CA -0.260 54.421 54.840 -0.265 0.000 0.806 1076 L CB 1.144 43.136 42.059 -0.111 0.000 1.214 1076 L HN 0.673 nan 8.230 nan 0.000 0.426 1077 G N 4.333 112.879 108.800 -0.424 0.000 2.289 1077 G HA2 0.257 4.216 3.960 -0.002 0.000 0.315 1077 G HA3 0.257 4.216 3.960 -0.002 0.000 0.315 1077 G C -3.151 171.596 174.900 -0.256 0.000 1.587 1077 G CA -0.763 44.098 45.100 -0.398 0.000 0.949 1077 G HN 0.367 nan 8.290 nan 0.000 0.626 1078 P HA 0.191 nan 4.420 nan 0.000 0.270 1078 P C 0.456 177.723 177.300 -0.056 0.000 1.181 1078 P CA 0.771 63.825 63.100 -0.076 0.000 0.767 1078 P CB 0.774 32.424 31.700 -0.083 0.000 0.799 1079 T N 0.622 115.205 114.554 0.048 0.000 2.733 1079 T HA 0.522 4.871 4.350 -0.002 0.000 0.312 1079 T C -1.920 172.958 174.700 0.297 0.000 1.590 1079 T CA -0.924 61.247 62.100 0.118 0.000 1.005 1079 T CB 0.267 69.092 68.868 -0.071 0.000 1.528 1079 T HN 0.305 nan 8.240 nan 0.000 0.496 1080 Y N 0.944 121.257 120.300 0.021 0.000 2.341 1080 Y HA 0.813 5.362 4.550 -0.002 0.000 0.337 1080 Y C -1.129 174.855 175.900 0.139 0.000 1.014 1080 Y CA -1.338 56.837 58.100 0.126 0.000 1.111 1080 Y CB 0.778 39.297 38.460 0.097 0.000 1.194 1080 Y HN 0.599 nan 8.280 nan 0.000 0.462 1081 Y N 2.264 122.711 120.300 0.245 0.000 2.420 1081 Y HA 0.296 4.845 4.550 -0.002 0.000 0.334 1081 Y C -0.188 175.956 175.900 0.407 0.000 1.094 1081 Y CA -0.822 57.418 58.100 0.234 0.000 1.126 1081 Y CB 2.007 40.620 38.460 0.256 0.000 1.217 1081 Y HN 0.594 nan 8.280 nan 0.000 0.462 1082 Q N 2.998 123.051 119.800 0.422 0.000 2.274 1082 Q HA 0.279 4.618 4.340 -0.002 0.000 0.256 1082 Q C -0.278 175.940 176.000 0.363 0.000 0.927 1082 Q CA -0.920 55.099 55.803 0.361 0.000 0.939 1082 Q CB 1.194 30.041 28.738 0.182 0.000 1.201 1082 Q HN 0.275 nan 8.270 nan 0.000 0.426 1083 R N 3.877 124.608 120.500 0.385 0.000 2.435 1083 R HA 0.111 4.450 4.340 -0.002 0.000 0.325 1083 R C -0.450 175.744 176.300 -0.177 0.000 1.149 1083 R CA 0.167 56.277 56.100 0.017 0.000 0.995 1083 R CB -0.547 29.914 30.300 0.268 0.000 1.008 1083 R HN 0.649 nan 8.270 nan 0.000 0.470 1084 L N 3.536 124.547 121.223 -0.354 0.000 2.476 1084 L HA 0.076 4.415 4.340 -0.002 0.000 0.264 1084 L C 1.358 177.964 176.870 -0.440 0.000 1.224 1084 L CA 0.434 55.074 54.840 -0.333 0.000 0.821 1084 L CB 0.323 42.176 42.059 -0.343 0.000 1.101 1084 L HN 0.392 nan 8.230 nan 0.000 0.488 1085 K N -0.625 119.469 120.400 -0.511 0.000 2.627 1085 K HA 0.268 4.588 4.320 -0.002 0.000 0.269 1085 K C -0.643 175.428 176.600 -0.881 0.000 1.029 1085 K CA -0.633 55.378 56.287 -0.460 0.000 1.026 1085 K CB 0.385 32.743 32.500 -0.236 0.000 1.350 1085 K HN 0.777 nan 8.250 nan 0.000 0.506 1086 H N -1.132 117.895 119.070 -0.073 0.000 2.862 1086 H HA -0.177 4.378 4.556 -0.002 0.000 0.299 1086 H C -0.907 174.369 175.328 -0.086 0.000 0.877 1086 H CA -0.100 55.906 56.048 -0.070 0.000 0.955 1086 H CB -2.006 27.713 29.762 -0.071 0.000 1.579 1086 H HN 0.272 nan 8.280 nan 0.000 0.321 1087 L N 2.513 123.701 121.223 -0.059 0.000 2.567 1087 L HA 0.278 4.617 4.340 -0.002 0.000 0.238 1087 L C 1.612 178.463 176.870 -0.032 0.000 1.168 1087 L CA -0.727 54.066 54.840 -0.079 0.000 0.817 1087 L CB 0.435 42.434 42.059 -0.101 0.000 1.409 1087 L HN 0.443 nan 8.230 nan 0.000 0.502 1088 V N -1.094 118.801 119.914 -0.032 0.000 2.331 1088 V HA -0.142 3.977 4.120 -0.002 0.000 0.242 1088 V C 1.457 177.537 176.094 -0.024 0.000 1.034 1088 V CA 1.133 63.425 62.300 -0.013 0.000 1.027 1088 V CB -0.502 31.319 31.823 -0.004 0.000 0.667 1088 V HN 0.718 nan 8.190 nan 0.000 0.457 1089 D N 0.692 121.066 120.400 -0.042 0.000 2.417 1089 D HA -0.147 4.492 4.640 -0.002 0.000 0.225 1089 D C 1.303 177.564 176.300 -0.064 0.000 0.983 1089 D CA 1.065 55.034 54.000 -0.051 0.000 0.949 1089 D CB -0.172 40.589 40.800 -0.066 0.000 0.879 1089 D HN 0.516 nan 8.370 nan 0.000 0.520 1090 D N -0.988 119.373 120.400 -0.065 0.000 2.423 1090 D HA 0.054 4.693 4.640 -0.002 0.000 0.212 1090 D C 1.502 177.797 176.300 -0.009 0.000 1.060 1090 D CA 0.164 54.127 54.000 -0.061 0.000 0.872 1090 D CB 0.305 41.043 40.800 -0.103 0.000 1.012 1090 D HN 0.142 nan 8.370 nan 0.000 0.503 1091 K N 0.524 120.925 120.400 0.002 0.000 2.367 1091 K HA 0.190 4.510 4.320 -0.002 0.000 0.194 1091 K C 0.713 177.338 176.600 0.042 0.000 1.027 1091 K CA -0.087 56.211 56.287 0.020 0.000 1.075 1091 K CB 0.753 33.262 32.500 0.015 0.000 0.845 1091 K HN 0.192 nan 8.250 nan 0.000 0.529 1092 I N -1.128 119.467 120.570 0.041 0.000 2.696 1092 I HA 0.195 4.364 4.170 -0.002 0.000 0.284 1092 I C -0.186 175.998 176.117 0.112 0.000 1.129 1092 I CA -0.325 61.009 61.300 0.058 0.000 1.410 1092 I CB 0.435 38.450 38.000 0.025 0.000 1.399 1092 I HN -0.071 nan 8.210 nan 0.000 0.579 1093 H N 3.398 122.465 119.070 -0.006 0.000 2.954 1093 H HA 0.814 5.369 4.556 -0.002 0.000 0.361 1093 H C -1.595 173.730 175.328 -0.004 0.000 1.122 1093 H CA -0.438 55.607 56.048 -0.004 0.000 1.217 1093 H CB 1.848 31.609 29.762 -0.002 0.000 1.776 1093 H HN 1.010 nan 8.280 nan 0.000 0.533 1094 A N 4.232 126.839 122.820 -0.355 0.000 2.437 1094 A HA 0.620 4.939 4.320 -0.002 0.000 0.293 1094 A C -1.179 176.253 177.584 -0.252 0.000 1.038 1094 A CA -0.777 51.147 52.037 -0.189 0.000 0.708 1094 A CB 1.418 20.357 19.000 -0.102 0.000 1.251 1094 A HN 0.682 nan 8.150 nan 0.000 0.409 1095 R N 1.371 121.798 120.500 -0.122 0.000 2.902 1095 R HA 0.915 5.254 4.340 -0.002 0.000 0.258 1095 R C -0.697 175.573 176.300 -0.050 0.000 1.071 1095 R CA 0.188 56.237 56.100 -0.085 0.000 1.024 1095 R CB 1.766 32.060 30.300 -0.009 0.000 1.184 1095 R HN 2.080 nan 8.270 nan 0.000 0.492 1096 A N 2.481 125.276 122.820 -0.041 0.000 1.558 1096 A HA 0.283 4.602 4.320 -0.002 0.000 0.243 1096 A C -0.758 176.809 177.584 -0.028 0.000 1.426 1096 A CA -0.191 51.827 52.037 -0.032 0.000 1.328 1096 A CB -0.383 18.596 19.000 -0.035 0.000 0.887 1096 A HN 0.832 nan 8.150 nan 0.000 0.636 1097 R N -0.596 119.892 120.500 -0.020 0.000 3.418 1097 R HA -0.170 4.169 4.340 -0.002 0.000 0.274 1097 R C 0.696 176.985 176.300 -0.018 0.000 1.108 1097 R CA 0.970 57.061 56.100 -0.015 0.000 0.741 1097 R CB -1.549 28.743 30.300 -0.013 0.000 1.223 1097 R HN 1.677 nan 8.270 nan 0.000 0.434 1098 G N 0.956 109.745 108.800 -0.019 0.000 2.547 1098 G HA2 0.533 4.493 3.960 -0.002 0.000 0.291 1098 G HA3 0.533 4.493 3.960 -0.002 0.000 0.291 1098 G C -1.969 172.923 174.900 -0.012 0.000 1.211 1098 G CA -0.928 44.159 45.100 -0.020 0.000 0.950 1098 G HN -0.064 nan 8.290 nan 0.000 0.504 1099 P HA 0.233 nan 4.420 nan 0.000 0.271 1099 P C -0.171 177.124 177.300 -0.009 0.000 1.228 1099 P CA -0.045 63.050 63.100 -0.008 0.000 0.797 1099 P CB 0.594 32.293 31.700 -0.003 0.000 0.914 1100 V N -3.016 116.888 119.914 -0.017 0.000 3.147 1100 V HA 0.400 4.519 4.120 -0.002 0.000 0.306 1100 V C -0.458 175.613 176.094 -0.039 0.000 1.209 1100 V CA -1.133 61.150 62.300 -0.029 0.000 1.023 1100 V CB 1.766 33.562 31.823 -0.046 0.000 1.059 1100 V HN 0.301 nan 8.190 nan 0.000 0.435 1101 Q N 1.132 120.906 119.800 -0.043 0.000 2.624 1101 Q HA 0.252 4.591 4.340 -0.002 0.000 0.256 1101 Q C 0.883 176.838 176.000 -0.074 0.000 1.119 1101 Q CA 0.184 55.961 55.803 -0.044 0.000 0.995 1101 Q CB 0.719 29.433 28.738 -0.039 0.000 1.318 1101 Q HN 0.791 nan 8.270 nan 0.000 0.534 1102 I N 0.046 120.582 120.570 -0.057 0.000 2.810 1102 I HA -0.110 4.059 4.170 -0.002 0.000 0.262 1102 I C 2.139 178.204 176.117 -0.087 0.000 1.131 1102 I CA 0.653 61.912 61.300 -0.069 0.000 1.453 1102 I CB -0.615 37.368 38.000 -0.028 0.000 1.161 1102 I HN 0.472 nan 8.210 nan 0.000 0.444 1103 L N 0.384 121.578 121.223 -0.049 0.000 2.044 1103 L HA -0.143 4.196 4.340 -0.002 0.000 0.205 1103 L C 2.545 179.398 176.870 -0.028 0.000 1.075 1103 L CA 1.787 56.617 54.840 -0.016 0.000 0.747 1103 L CB -0.433 41.631 42.059 0.008 0.000 0.903 1103 L HN 0.264 nan 8.230 nan 0.000 0.435 1104 T N -2.078 112.440 114.554 -0.060 0.000 3.037 1104 T HA 0.011 4.360 4.350 -0.002 0.000 0.252 1104 T C 0.949 175.535 174.700 -0.189 0.000 1.073 1104 T CA -0.142 61.929 62.100 -0.048 0.000 1.091 1104 T CB 0.105 68.969 68.868 -0.006 0.000 0.935 1104 T HN 0.215 nan 8.240 nan 0.000 0.488 1105 R N 0.972 121.314 120.500 -0.263 0.000 3.878 1105 R HA -0.100 4.239 4.340 -0.002 0.000 0.330 1105 R C -0.201 176.000 176.300 -0.165 0.000 1.186 1105 R CA 0.571 56.465 56.100 -0.343 0.000 0.885 1105 R CB -2.530 27.266 30.300 -0.840 0.000 1.377 1105 R HN 0.615 nan 8.270 nan 0.000 0.523 1106 Q N 0.145 119.894 119.800 -0.084 0.000 2.207 1106 Q HA 0.493 4.832 4.340 -0.002 0.000 0.237 1106 Q C -2.340 173.647 176.000 -0.023 0.000 0.998 1106 Q CA -2.071 53.714 55.803 -0.031 0.000 0.951 1106 Q CB 1.039 29.774 28.738 -0.004 0.000 1.213 1106 Q HN -0.115 nan 8.270 nan 0.000 0.499 1107 P HA -0.028 nan 4.420 nan 0.000 0.271 1107 P C -0.439 176.868 177.300 0.012 0.000 1.216 1107 P CA -0.017 63.087 63.100 0.005 0.000 0.776 1107 P CB 0.556 32.266 31.700 0.016 0.000 0.881 1108 V N 2.755 122.679 119.914 0.017 0.000 3.923 1108 V HA -0.025 4.094 4.120 -0.002 0.000 0.292 1108 V C 0.671 176.787 176.094 0.036 0.000 1.070 1108 V CA 0.360 62.674 62.300 0.023 0.000 1.103 1108 V CB 0.350 32.188 31.823 0.026 0.000 1.175 1108 V HN 0.540 nan 8.190 nan 0.000 0.471 1109 E N 0.161 120.382 120.200 0.034 0.000 2.267 1109 E HA 0.517 4.866 4.350 -0.002 0.000 0.258 1109 E C 0.333 176.962 176.600 0.048 0.000 1.074 1109 E CA -0.246 56.171 56.400 0.028 0.000 0.915 1109 E CB 1.250 30.958 29.700 0.014 0.000 1.186 1109 E HN 1.071 nan 8.360 nan 0.000 0.439 1110 G N 1.022 109.827 108.800 0.009 0.000 2.765 1110 G HA2 -0.097 3.862 3.960 -0.002 0.000 0.230 1110 G HA3 -0.097 3.862 3.960 -0.002 0.000 0.230 1110 G C -0.074 174.876 174.900 0.085 0.000 1.238 1110 G CA 0.448 45.557 45.100 0.014 0.000 0.854 1110 G HN 0.698 nan 8.290 nan 0.000 0.579 1111 R N -0.584 120.000 120.500 0.140 0.000 4.055 1111 R HA -0.316 4.023 4.340 -0.002 0.000 0.358 1111 R C 1.813 178.170 176.300 0.095 0.000 0.241 1111 R CA 1.066 57.231 56.100 0.108 0.000 1.167 1111 R CB -1.736 28.607 30.300 0.072 0.000 1.098 1111 R HN 1.811 nan 8.270 nan 0.000 0.514 1112 S N 0.008 115.749 115.700 0.069 0.000 4.157 1112 S HA -0.380 4.090 4.470 -0.002 0.000 0.578 1112 S C 0.266 174.890 174.600 0.039 0.000 1.867 1112 S CA 1.931 60.163 58.200 0.054 0.000 4.249 1112 S CB -0.769 62.460 63.200 0.049 0.000 0.208 1112 S HN 1.337 nan 8.310 nan 0.000 0.457 1113 R N 1.219 121.734 120.500 0.024 0.000 2.403 1113 R HA 0.570 4.909 4.340 -0.002 0.000 0.169 1113 R C -1.398 174.885 176.300 -0.028 0.000 1.245 1113 R CA 0.491 56.587 56.100 -0.008 0.000 0.756 1113 R CB -0.914 29.382 30.300 -0.006 0.000 1.387 1113 R HN 0.518 nan 8.270 nan 0.000 0.413 1114 D N 0.272 120.647 120.400 -0.043 0.000 3.486 1114 D HA 0.201 4.840 4.640 -0.002 0.000 0.294 1114 D C -0.305 175.966 176.300 -0.049 0.000 1.593 1114 D CA 0.414 54.389 54.000 -0.042 0.000 0.776 1114 D CB 0.727 41.459 40.800 -0.114 0.000 1.353 1114 D HN 0.586 nan 8.370 nan 0.000 0.608 1115 G N -1.301 107.521 108.800 0.037 0.000 3.042 1115 G HA2 0.695 4.654 3.960 -0.002 0.000 0.278 1115 G HA3 0.695 4.654 3.960 -0.002 0.000 0.278 1115 G C 0.335 175.317 174.900 0.137 0.000 1.371 1115 G CA -0.305 44.880 45.100 0.142 0.000 1.009 1115 G HN 0.173 nan 8.290 nan 0.000 0.523 1116 G N -1.690 107.185 108.800 0.126 0.000 3.134 1116 G HA2 0.483 4.442 3.960 -0.002 0.000 0.158 1116 G HA3 0.483 4.442 3.960 -0.002 0.000 0.158 1116 G C 0.097 175.111 174.900 0.190 0.000 1.334 1116 G CA -0.215 44.981 45.100 0.160 0.000 1.001 1116 G HN 0.498 nan 8.290 nan 0.000 0.600 1117 L N -1.175 120.111 121.223 0.106 0.000 2.578 1117 L HA 0.738 5.077 4.340 -0.002 0.000 0.193 1117 L C -0.042 176.843 176.870 0.025 0.000 1.422 1117 L CA 0.231 55.098 54.840 0.046 0.000 2.947 1117 L CB 0.383 42.487 42.059 0.075 0.000 2.780 1117 L HN 0.643 nan 8.230 nan 0.000 1.031 1118 R N -0.641 119.896 120.500 0.062 0.000 4.887 1118 R HA 0.117 4.457 4.340 -0.002 0.000 0.269 1118 R C -2.151 174.239 176.300 0.151 0.000 0.993 1118 R CA -0.224 55.921 56.100 0.074 0.000 1.421 1118 R CB -0.732 29.581 30.300 0.021 0.000 1.236 1118 R HN 0.155 nan 8.270 nan 0.000 0.603 1119 F N 4.755 124.689 119.950 -0.026 0.000 2.319 1119 F HA 0.631 5.157 4.527 -0.002 0.000 0.356 1119 F C 0.674 176.457 175.800 -0.028 0.000 1.100 1119 F CA -0.364 57.619 58.000 -0.028 0.000 1.220 1119 F CB 0.989 39.967 39.000 -0.038 0.000 1.506 1119 F HN 0.713 nan 8.300 nan 0.000 0.512 1120 G N 3.375 112.040 108.800 -0.225 0.000 2.690 1120 G HA2 0.003 3.962 3.960 -0.002 0.000 0.239 1120 G HA3 0.003 3.962 3.960 -0.002 0.000 0.239 1120 G C 0.787 175.520 174.900 -0.280 0.000 1.233 1120 G CA -0.259 44.722 45.100 -0.199 0.000 0.847 1120 G HN 0.711 nan 8.290 nan 0.000 0.588 1121 E N 0.130 120.233 120.200 -0.161 0.000 2.049 1121 E HA -0.259 4.090 4.350 -0.002 0.000 0.198 1121 E C 2.410 178.903 176.600 -0.178 0.000 1.007 1121 E CA 1.460 57.776 56.400 -0.140 0.000 0.809 1121 E CB -0.227 29.426 29.700 -0.078 0.000 0.749 1121 E HN 0.422 nan 8.360 nan 0.000 0.450 1122 M N 1.341 120.850 119.600 -0.152 0.000 2.204 1122 M HA -0.269 4.210 4.480 -0.002 0.000 0.255 1122 M C 1.950 178.123 176.300 -0.213 0.000 1.073 1122 M CA 1.765 56.978 55.300 -0.145 0.000 1.084 1122 M CB -0.298 32.232 32.600 -0.117 0.000 1.289 1122 M HN 0.010 nan 8.290 nan 0.000 0.419 1123 E N -0.652 119.352 120.200 -0.326 0.000 2.049 1123 E HA -0.265 4.084 4.350 -0.002 0.000 0.198 1123 E C 2.137 178.426 176.600 -0.518 0.000 1.007 1123 E CA 1.443 57.560 56.400 -0.471 0.000 0.809 1123 E CB -0.866 28.368 29.700 -0.777 0.000 0.749 1123 E HN 0.502 nan 8.360 nan 0.000 0.450 1124 R N 1.387 121.512 120.500 -0.626 0.000 2.096 1124 R HA -0.141 4.198 4.340 -0.002 0.000 0.235 1124 R C 1.080 177.315 176.300 -0.107 0.000 1.127 1124 R CA 1.324 57.239 56.100 -0.308 0.000 0.968 1124 R CB -0.334 29.860 30.300 -0.176 0.000 0.861 1124 R HN 0.046 nan 8.270 nan 0.000 0.440 1125 D N -0.265 120.061 120.400 -0.124 0.000 2.351 1125 D HA -0.111 4.528 4.640 -0.002 0.000 0.216 1125 D C 1.521 177.776 176.300 -0.076 0.000 0.968 1125 D CA 0.711 54.666 54.000 -0.075 0.000 0.899 1125 D CB -0.178 40.576 40.800 -0.076 0.000 0.907 1125 D HN 0.261 nan 8.370 nan 0.000 0.514 1126 C N 0.099 119.344 119.300 -0.092 0.000 2.558 1126 C HA 0.069 4.528 4.460 -0.002 0.000 0.288 1126 C C 2.478 177.418 174.990 -0.084 0.000 1.338 1126 C CA -0.232 58.718 59.018 -0.112 0.000 1.760 1126 C CB -0.041 27.636 27.740 -0.106 0.000 2.159 1126 C HN 0.273 nan 8.230 nan 0.000 0.518 1127 Q N 1.320 121.143 119.800 0.038 0.000 2.061 1127 Q HA -0.078 4.261 4.340 -0.002 0.000 0.204 1127 Q C 2.077 178.126 176.000 0.081 0.000 0.984 1127 Q CA 1.566 57.451 55.803 0.137 0.000 0.846 1127 Q CB -0.514 28.340 28.738 0.192 0.000 0.902 1127 Q HN 0.671 nan 8.270 nan 0.000 0.421 1128 I N 0.972 121.567 120.570 0.042 0.000 2.264 1128 I HA -0.289 3.880 4.170 -0.002 0.000 0.248 1128 I C 2.306 178.428 176.117 0.007 0.000 1.111 1128 I CA 1.359 62.680 61.300 0.035 0.000 1.382 1128 I CB -0.871 37.143 38.000 0.023 0.000 1.060 1128 I HN 0.114 nan 8.210 nan 0.000 0.418 1129 S N 0.492 116.161 115.700 -0.053 0.000 2.359 1129 S HA -0.281 4.189 4.470 -0.002 0.000 0.222 1129 S C 1.826 176.394 174.600 -0.052 0.000 1.038 1129 S CA 1.721 59.867 58.200 -0.090 0.000 1.051 1129 S CB -1.076 62.019 63.200 -0.174 0.000 0.944 1129 S HN 0.540 nan 8.310 nan 0.000 0.433 1130 H N 1.761 120.844 119.070 0.020 0.000 2.267 1130 H HA 0.210 4.765 4.556 -0.002 0.000 0.297 1130 H C 1.606 176.947 175.328 0.021 0.000 1.080 1130 H CA 1.038 57.099 56.048 0.020 0.000 1.278 1130 H CB -0.412 29.365 29.762 0.025 0.000 1.365 1130 H HN 0.660 nan 8.280 nan 0.000 0.489 1131 G N -1.091 107.814 108.800 0.174 0.000 2.441 1131 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.139 1131 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.139 1131 G C -0.670 174.285 174.900 0.092 0.000 1.067 1131 G CA -0.235 44.927 45.100 0.103 0.000 0.766 1131 G HN 0.398 nan 8.290 nan 0.000 0.484 1132 C N 2.774 122.139 119.300 0.108 0.000 2.136 1132 C HA 0.531 4.990 4.460 -0.002 0.000 0.381 1132 C C 2.255 177.293 174.990 0.080 0.000 1.039 1132 C CA 0.094 59.162 59.018 0.083 0.000 1.491 1132 C CB -0.849 26.944 27.740 0.089 0.000 1.663 1132 C HN 0.896 nan 8.230 nan 0.000 0.470 1133 S N 1.594 117.334 115.700 0.066 0.000 2.372 1133 S HA -0.186 4.283 4.470 -0.002 0.000 0.227 1133 S C 1.795 176.438 174.600 0.072 0.000 1.044 1133 S CA 2.192 60.433 58.200 0.069 0.000 1.050 1133 S CB -0.287 62.942 63.200 0.049 0.000 0.901 1133 S HN 0.656 nan 8.310 nan 0.000 0.447 1134 S N 0.929 116.658 115.700 0.049 0.000 2.388 1134 S HA 0.118 4.587 4.470 -0.002 0.000 0.223 1134 S C 2.029 176.647 174.600 0.031 0.000 1.034 1134 S CA 0.816 59.037 58.200 0.035 0.000 0.963 1134 S CB -0.457 62.751 63.200 0.014 0.000 0.827 1134 S HN 0.407 nan 8.310 nan 0.000 0.481 1135 V N 2.524 122.455 119.914 0.027 0.000 2.282 1135 V HA -0.180 3.939 4.120 -0.002 0.000 0.249 1135 V C 2.314 178.412 176.094 0.007 0.000 1.057 1135 V CA 1.626 63.932 62.300 0.009 0.000 1.032 1135 V CB -0.741 31.098 31.823 0.027 0.000 0.645 1135 V HN 0.348 nan 8.190 nan 0.000 0.447 1136 L N 0.685 121.947 121.223 0.065 0.000 1.956 1136 L HA -0.223 4.116 4.340 -0.002 0.000 0.216 1136 L C 2.630 179.545 176.870 0.075 0.000 1.073 1136 L CA 2.586 57.484 54.840 0.096 0.000 0.762 1136 L CB -1.038 41.111 42.059 0.150 0.000 0.889 1136 L HN 0.315 nan 8.230 nan 0.000 0.433 1137 R N -0.663 119.937 120.500 0.167 0.000 2.127 1137 R HA -0.224 4.115 4.340 -0.002 0.000 0.238 1137 R C 2.300 178.710 176.300 0.183 0.000 1.134 1137 R CA 1.868 58.164 56.100 0.327 0.000 0.975 1137 R CB -0.359 30.085 30.300 0.239 0.000 0.865 1137 R HN 0.662 nan 8.270 nan 0.000 0.447 1138 E N 0.070 120.296 120.200 0.042 0.000 2.072 1138 E HA -0.129 4.220 4.350 -0.002 0.000 0.190 1138 E C 0.773 177.312 176.600 -0.102 0.000 0.982 1138 E CA 0.651 57.040 56.400 -0.018 0.000 0.803 1138 E CB 0.242 29.920 29.700 -0.037 0.000 0.755 1138 E HN 0.214 nan 8.360 nan 0.000 0.453 1139 R N 0.173 120.553 120.500 -0.200 0.000 2.547 1139 R HA 0.177 4.516 4.340 -0.002 0.000 0.258 1139 R C 1.063 177.115 176.300 -0.412 0.000 1.115 1139 R CA 0.152 56.029 56.100 -0.372 0.000 1.152 1139 R CB 0.161 30.063 30.300 -0.663 0.000 1.221 1139 R HN 0.308 nan 8.270 nan 0.000 0.539 1140 L N -2.384 118.613 121.223 -0.377 0.000 2.877 1140 L HA 0.237 4.576 4.340 -0.002 0.000 0.275 1140 L C 0.319 176.830 176.870 -0.598 0.000 1.027 1140 L CA 0.265 54.761 54.840 -0.572 0.000 1.135 1140 L CB 0.354 41.888 42.059 -0.876 0.000 2.080 1140 L HN -0.016 nan 8.230 nan 0.000 0.560 1141 F N -0.961 119.003 119.950 0.023 0.000 2.698 1141 F HA 0.298 4.824 4.527 -0.002 0.000 0.304 1141 F C 1.121 176.940 175.800 0.032 0.000 1.108 1141 F CA -0.127 57.902 58.000 0.049 0.000 1.263 1141 F CB 0.506 39.537 39.000 0.052 0.000 1.013 1141 F HN -0.059 nan 8.300 nan 0.000 0.532 1142 D N -1.161 119.298 120.400 0.098 0.000 2.690 1142 D HA 0.086 4.725 4.640 -0.002 0.000 0.235 1142 D C 1.261 177.572 176.300 0.017 0.000 1.327 1142 D CA 0.506 54.541 54.000 0.058 0.000 1.264 1142 D CB -0.071 40.743 40.800 0.023 0.000 1.574 1142 D HN 0.023 nan 8.370 nan 0.000 0.421 1143 C N 1.601 120.882 119.300 -0.032 0.000 2.509 1143 C HA 0.359 4.818 4.460 -0.002 0.000 0.301 1143 C C 1.746 176.711 174.990 -0.042 0.000 1.317 1143 C CA 0.849 59.838 59.018 -0.049 0.000 1.667 1143 C CB -1.679 26.006 27.740 -0.092 0.000 1.717 1143 C HN 0.431 nan 8.230 nan 0.000 0.595 1144 S N -1.120 114.571 115.700 -0.015 0.000 3.640 1144 S HA 0.070 4.539 4.470 -0.002 0.000 0.246 1144 S C 0.071 174.698 174.600 0.044 0.000 1.133 1144 S CA 0.062 58.261 58.200 -0.002 0.000 0.882 1144 S CB 0.085 63.269 63.200 -0.027 0.000 1.015 1144 S HN 0.361 nan 8.310 nan 0.000 0.469 1145 D N 2.649 123.101 120.400 0.087 0.000 2.696 1145 D HA 0.509 5.148 4.640 -0.002 0.000 0.269 1145 D C 0.140 176.584 176.300 0.240 0.000 1.319 1145 D CA 0.042 54.139 54.000 0.163 0.000 0.826 1145 D CB 0.653 41.568 40.800 0.191 0.000 1.086 1145 D HN 0.622 nan 8.370 nan 0.000 0.481 1146 A N 1.314 124.244 122.820 0.183 0.000 2.625 1146 A HA -0.062 4.257 4.320 -0.002 0.000 0.289 1146 A C -0.547 177.197 177.584 0.266 0.000 1.411 1146 A CA 0.588 52.741 52.037 0.193 0.000 1.035 1146 A CB -1.134 17.936 19.000 0.117 0.000 0.992 1146 A HN 0.346 nan 8.150 nan 0.000 0.580 1147 Y N 2.444 122.853 120.300 0.181 0.000 2.373 1147 Y HA 0.554 5.103 4.550 -0.002 0.000 0.336 1147 Y C 0.116 176.087 175.900 0.119 0.000 0.979 1147 Y CA -1.066 57.127 58.100 0.156 0.000 1.080 1147 Y CB 1.434 40.013 38.460 0.199 0.000 1.190 1147 Y HN 0.750 nan 8.280 nan 0.000 0.446 1148 R N 4.552 124.635 120.500 -0.695 0.000 2.637 1148 R HA 0.891 5.230 4.340 -0.002 0.000 0.291 1148 R C -2.187 173.709 176.300 -0.673 0.000 0.963 1148 R CA -0.927 54.844 56.100 -0.548 0.000 0.901 1148 R CB 2.136 32.146 30.300 -0.484 0.000 1.160 1148 R HN 0.488 nan 8.270 nan 0.000 0.457 1149 V N 3.338 123.049 119.914 -0.339 0.000 3.130 1149 V HA 0.570 4.689 4.120 -0.002 0.000 0.310 1149 V C -1.459 174.543 176.094 -0.152 0.000 1.158 1149 V CA -1.163 61.037 62.300 -0.166 0.000 1.029 1149 V CB 2.420 34.255 31.823 0.019 0.000 1.057 1149 V HN 0.755 nan 8.190 nan 0.000 0.436 1150 I N 3.773 124.293 120.570 -0.082 0.000 2.362 1150 I HA 0.552 4.722 4.170 -0.002 0.000 0.289 1150 I C -0.380 175.717 176.117 -0.032 0.000 0.994 1150 I CA -0.261 60.996 61.300 -0.071 0.000 1.158 1150 I CB 1.813 39.782 38.000 -0.050 0.000 1.315 1150 I HN 0.319 nan 8.210 nan 0.000 0.451 1151 V N 4.897 124.796 119.914 -0.025 0.000 2.513 1151 V HA 0.343 4.462 4.120 -0.002 0.000 0.299 1151 V C 0.123 176.239 176.094 0.036 0.000 1.035 1151 V CA -0.944 61.344 62.300 -0.019 0.000 0.889 1151 V CB 1.619 33.398 31.823 -0.073 0.000 0.988 1151 V HN 0.935 nan 8.190 nan 0.000 0.440 1152 C N 3.631 122.950 119.300 0.031 0.000 2.644 1152 C HA 0.211 4.670 4.460 -0.002 0.000 0.417 1152 C C 1.591 176.479 174.990 -0.170 0.000 1.304 1152 C CA -0.012 58.995 59.018 -0.019 0.000 2.035 1152 C CB -0.153 27.577 27.740 -0.017 0.000 2.673 1152 C HN 0.961 nan 8.230 nan 0.000 0.602 1153 D N 2.781 123.015 120.400 -0.276 0.000 2.234 1153 D HA -0.023 4.616 4.640 -0.002 0.000 0.205 1153 D C 1.795 177.784 176.300 -0.519 0.000 0.962 1153 D CA 1.250 55.040 54.000 -0.350 0.000 0.855 1153 D CB 0.044 40.645 40.800 -0.332 0.000 0.951 1153 D HN 0.713 nan 8.370 nan 0.000 0.500 1154 I N 0.670 121.024 120.570 -0.361 0.000 2.272 1154 I HA -0.075 4.094 4.170 -0.002 0.000 0.235 1154 I C 0.916 176.926 176.117 -0.178 0.000 1.071 1154 I CA 0.494 61.631 61.300 -0.272 0.000 1.374 1154 I CB -0.081 37.856 38.000 -0.106 0.000 1.121 1154 I HN 0.032 nan 8.210 nan 0.000 0.420 1155 c N 2.048 120.602 118.600 -0.077 0.000 2.176 1155 c HA 0.651 5.220 4.570 -0.002 0.000 0.329 1155 c C 0.976 175.051 174.090 -0.025 0.000 1.113 1155 c CA -1.352 54.986 56.329 0.015 0.000 1.562 1155 c CB -0.877 41.657 42.510 0.040 0.000 2.040 1155 c HN 0.509 nan 8.230 nan 0.000 0.460 1156 G N 4.122 112.906 108.800 -0.026 0.000 2.624 1156 G HA2 0.416 4.375 3.960 -0.002 0.000 0.292 1156 G HA3 0.416 4.375 3.960 -0.002 0.000 0.292 1156 G C -0.454 174.424 174.900 -0.037 0.000 0.777 1156 G CA 0.246 45.312 45.100 -0.057 0.000 1.883 1156 G HN 0.840 nan 8.290 nan 0.000 0.505 1157 L N 1.272 122.475 121.223 -0.034 0.000 2.479 1157 L HA 0.505 4.844 4.340 -0.002 0.000 0.255 1157 L C 0.518 177.379 176.870 -0.014 0.000 1.026 1157 L CA -1.511 53.315 54.840 -0.023 0.000 0.842 1157 L CB 2.132 44.199 42.059 0.014 0.000 1.444 1157 L HN 0.514 nan 8.230 nan 0.000 0.409 1158 I N 0.111 120.673 120.570 -0.013 0.000 2.775 1158 I HA 0.412 4.581 4.170 -0.002 0.000 0.290 1158 I C 0.252 176.387 176.117 0.030 0.000 1.203 1158 I CA 0.117 61.419 61.300 0.003 0.000 1.433 1158 I CB 0.577 38.582 38.000 0.008 0.000 1.354 1158 I HN 0.621 nan 8.210 nan 0.000 0.579 1159 A N 6.758 129.601 122.820 0.038 0.000 2.420 1159 A HA 0.747 5.066 4.320 -0.002 0.000 0.291 1159 A C 0.151 177.756 177.584 0.035 0.000 1.228 1159 A CA -0.943 51.129 52.037 0.057 0.000 0.933 1159 A CB 0.599 19.642 19.000 0.073 0.000 1.428 1159 A HN 0.805 nan 8.150 nan 0.000 0.493 1160 I N 1.040 121.626 120.570 0.026 0.000 2.261 1160 I HA 0.378 4.547 4.170 -0.002 0.000 0.285 1160 I C 0.588 176.680 176.117 -0.041 0.000 1.113 1160 I CA 0.025 61.323 61.300 -0.003 0.000 1.377 1160 I CB -0.221 37.776 38.000 -0.004 0.000 1.530 1160 I HN 0.505 nan 8.210 nan 0.000 0.607 1161 A N 2.559 125.369 122.820 -0.017 0.000 2.302 1161 A HA 0.593 4.912 4.320 -0.002 0.000 0.285 1161 A C 0.958 178.495 177.584 -0.077 0.000 1.105 1161 A CA -0.042 51.984 52.037 -0.019 0.000 0.816 1161 A CB 0.730 19.772 19.000 0.070 0.000 1.067 1161 A HN 0.626 nan 8.150 nan 0.000 0.489 1162 S N -0.446 115.143 115.700 -0.186 0.000 2.684 1162 S HA 0.086 4.555 4.470 -0.002 0.000 0.268 1162 S C 0.486 174.707 174.600 -0.631 0.000 1.075 1162 S CA 0.712 58.690 58.200 -0.370 0.000 1.184 1162 S CB -0.797 62.185 63.200 -0.363 0.000 1.129 1162 S HN 1.949 nan 8.310 nan 0.000 0.630 1163 Y N 2.246 122.467 120.300 -0.132 0.000 3.414 1163 Y HA -0.330 4.219 4.550 -0.001 0.000 0.214 1163 Y C 0.323 176.173 175.900 -0.083 0.000 1.153 1163 Y CA 0.736 58.789 58.100 -0.078 0.000 1.363 1163 Y CB -2.723 35.709 38.460 -0.048 0.000 1.370 1163 Y HN 0.421 nan 8.280 nan 0.000 0.605 1164 K N -0.104 120.124 120.400 -0.287 0.000 2.755 1164 K HA 0.222 4.541 4.320 -0.002 0.000 0.214 1164 K C 0.788 177.283 176.600 -0.176 0.000 1.572 1164 K CA 0.147 56.303 56.287 -0.218 0.000 1.020 1164 K CB 0.328 32.634 32.500 -0.324 0.000 1.905 1164 K HN 0.158 nan 8.250 nan 0.000 0.467 1165 K N 2.068 122.328 120.400 -0.233 0.000 2.596 1165 K HA 0.062 4.381 4.320 -0.002 0.000 0.211 1165 K C -0.925 175.513 176.600 -0.271 0.000 1.046 1165 K CA 0.211 56.377 56.287 -0.202 0.000 1.202 1165 K CB 0.305 32.694 32.500 -0.185 0.000 0.925 1165 K HN 0.159 nan 8.250 nan 0.000 0.486 1166 D N 1.172 121.371 120.400 -0.335 0.000 2.913 1166 D HA -0.160 4.479 4.640 -0.002 0.000 0.228 1166 D C -0.436 175.282 176.300 -0.971 0.000 1.180 1166 D CA 1.470 55.149 54.000 -0.535 0.000 0.761 1166 D CB -1.441 39.246 40.800 -0.188 0.000 1.085 1166 D HN 0.415 nan 8.370 nan 0.000 0.420 1167 S N -0.838 114.389 115.700 -0.789 0.000 2.452 1167 S HA 0.552 5.021 4.470 -0.002 0.000 0.284 1167 S C 0.586 174.721 174.600 -0.775 0.000 1.171 1167 S CA -0.605 57.218 58.200 -0.628 0.000 1.064 1167 S CB 1.089 64.096 63.200 -0.323 0.000 0.967 1167 S HN 0.164 nan 8.310 nan 0.000 0.484 1168 Y N 1.535 121.652 120.300 -0.305 0.000 2.624 1168 Y HA 0.399 4.948 4.550 -0.002 0.000 0.260 1168 Y C 0.506 176.239 175.900 -0.279 0.000 1.090 1168 Y CA -0.271 57.526 58.100 -0.504 0.000 1.347 1168 Y CB -0.765 36.906 38.460 -1.314 0.000 1.349 1168 Y HN 0.717 nan 8.280 nan 0.000 0.502 1169 E N -0.674 119.579 120.200 0.087 0.000 8.367 1169 E HA -0.203 4.146 4.350 -0.002 0.000 0.467 1169 E C -1.597 175.149 176.600 0.244 0.000 0.968 1169 E CA 0.632 57.162 56.400 0.217 0.000 1.684 1169 E CB -0.808 28.939 29.700 0.078 0.000 0.997 1169 E HN 0.387 nan 8.360 nan 0.000 0.275 1170 C N 2.177 121.602 119.300 0.210 0.000 2.679 1170 C HA 0.272 4.731 4.460 -0.002 0.000 0.354 1170 C C -0.065 174.975 174.990 0.083 0.000 1.067 1170 C CA -0.928 58.181 59.018 0.151 0.000 1.317 1170 C CB 0.710 28.548 27.740 0.163 0.000 1.843 1170 C HN 0.417 nan 8.230 nan 0.000 0.459 1171 R N 2.352 122.889 120.500 0.061 0.000 4.154 1171 R HA 0.250 4.589 4.340 -0.002 0.000 0.186 1171 R C 0.953 177.274 176.300 0.035 0.000 1.750 1171 R CA 0.519 56.644 56.100 0.041 0.000 1.431 1171 R CB -0.491 29.828 30.300 0.032 0.000 1.383 1171 R HN 1.043 nan 8.270 nan 0.000 0.788 1172 S N -2.716 113.003 115.700 0.032 0.000 6.814 1172 S HA -0.108 4.361 4.470 -0.002 0.000 0.074 1172 S C 1.235 175.845 174.600 0.016 0.000 1.323 1172 S CA -0.153 58.062 58.200 0.025 0.000 1.268 1172 S CB -0.189 63.028 63.200 0.028 0.000 1.647 1172 S HN 0.345 nan 8.310 nan 0.000 0.540 1173 c N 3.219 121.825 118.600 0.010 0.000 2.562 1173 c HA 0.417 4.986 4.570 -0.002 0.000 0.266 1173 c C 0.665 174.744 174.090 -0.018 0.000 1.382 1173 c CA 0.459 56.782 56.329 -0.011 0.000 1.742 1173 c CB -1.117 41.371 42.510 -0.036 0.000 1.812 1173 c HN 0.695 nan 8.230 nan 0.000 0.559 1174 Q N 0.838 120.640 119.800 0.003 0.000 2.478 1174 Q HA -0.149 4.190 4.340 -0.002 0.000 0.286 1174 Q C -0.945 175.051 176.000 -0.007 0.000 1.299 1174 Q CA 0.812 56.620 55.803 0.008 0.000 0.826 1174 Q CB -1.856 26.882 28.738 0.000 0.000 1.199 1174 Q HN 0.693 nan 8.270 nan 0.000 0.451 1175 N N 0.056 118.751 118.700 -0.008 0.000 2.456 1175 N HA 0.439 5.178 4.740 -0.002 0.000 0.296 1175 N C 1.027 176.620 175.510 0.138 0.000 1.102 1175 N CA -0.320 52.675 53.050 -0.092 0.000 0.924 1175 N CB 1.004 39.275 38.487 -0.360 0.000 1.186 1175 N HN 0.190 nan 8.380 nan 0.000 0.492 1176 R N -0.928 119.643 120.500 0.119 0.000 2.540 1176 R HA 0.054 4.393 4.340 -0.002 0.000 0.273 1176 R C 0.721 177.354 176.300 0.554 0.000 0.937 1176 R CA 0.302 56.685 56.100 0.472 0.000 1.127 1176 R CB 0.385 30.828 30.300 0.238 0.000 1.745 1176 R HN 0.698 nan 8.270 nan 0.000 0.485 1177 T N -2.119 112.497 114.554 0.103 0.000 3.026 1177 T HA 0.254 4.603 4.350 -0.002 0.000 0.245 1177 T C 0.886 175.485 174.700 -0.169 0.000 1.004 1177 T CA -0.204 61.928 62.100 0.054 0.000 1.069 1177 T CB 0.356 69.212 68.868 -0.019 0.000 1.005 1177 T HN -0.120 nan 8.240 nan 0.000 0.472 1178 R N 1.209 121.370 120.500 -0.566 0.000 2.220 1178 R HA 0.603 4.942 4.340 -0.002 0.000 0.340 1178 R C -1.488 174.157 176.300 -1.091 0.000 1.076 1178 R CA -0.171 55.535 56.100 -0.657 0.000 0.920 1178 R CB 0.050 30.037 30.300 -0.521 0.000 1.062 1178 R HN 0.319 nan 8.270 nan 0.000 0.469 1179 F N -0.592 119.161 119.950 -0.329 0.000 2.662 1179 F HA 0.419 4.945 4.527 -0.002 0.000 0.312 1179 F C -0.086 175.549 175.800 -0.275 0.000 1.113 1179 F CA -0.850 56.958 58.000 -0.319 0.000 0.951 1179 F CB 2.138 40.872 39.000 -0.443 0.000 1.344 1179 F HN 0.320 nan 8.300 nan 0.000 0.462 1180 S N 0.105 115.834 115.700 0.049 0.000 2.556 1180 S HA 0.549 5.018 4.470 -0.002 0.000 0.271 1180 S C -1.546 173.043 174.600 -0.018 0.000 1.135 1180 S CA -1.005 57.239 58.200 0.073 0.000 0.858 1180 S CB 2.250 65.620 63.200 0.282 0.000 1.114 1180 S HN 0.721 nan 8.310 nan 0.000 0.468 1181 Q N 0.586 120.349 119.800 -0.062 0.000 2.226 1181 Q HA 0.771 5.110 4.340 -0.002 0.000 0.256 1181 Q C -1.685 174.205 176.000 -0.183 0.000 0.962 1181 Q CA -0.788 54.923 55.803 -0.153 0.000 0.887 1181 Q CB 1.597 30.207 28.738 -0.214 0.000 1.282 1181 Q HN 0.662 nan 8.270 nan 0.000 0.449 1182 V N 2.957 122.722 119.914 -0.248 0.000 2.760 1182 V HA 0.335 4.454 4.120 -0.002 0.000 0.309 1182 V C -1.591 174.341 176.094 -0.271 0.000 1.077 1182 V CA -0.708 61.474 62.300 -0.196 0.000 0.910 1182 V CB 1.895 33.647 31.823 -0.119 0.000 1.008 1182 V HN 0.728 nan 8.190 nan 0.000 0.424 1183 Y N 5.129 125.395 120.300 -0.056 0.000 2.350 1183 Y HA 0.706 5.255 4.550 -0.001 0.000 0.340 1183 Y C 0.100 175.996 175.900 -0.007 0.000 1.006 1183 Y CA -0.315 57.766 58.100 -0.032 0.000 1.166 1183 Y CB 1.087 39.525 38.460 -0.037 0.000 1.168 1183 Y HN 0.351 nan 8.280 nan 0.000 0.502 1184 L N 5.636 126.983 121.223 0.206 0.000 2.434 1184 L HA 0.525 4.864 4.340 -0.002 0.000 0.260 1184 L C -2.726 174.343 176.870 0.333 0.000 0.983 1184 L CA -2.446 52.527 54.840 0.221 0.000 0.820 1184 L CB 3.030 45.189 42.059 0.166 0.000 1.361 1184 L HN 0.344 nan 8.230 nan 0.000 0.410 1185 P HA 0.068 nan 4.420 nan 0.000 0.276 1185 P C 0.100 177.570 177.300 0.283 0.000 1.235 1185 P CA -0.060 63.252 63.100 0.353 0.000 0.772 1185 P CB 0.389 32.300 31.700 0.352 0.000 0.871 1186 Y N 3.727 124.079 120.300 0.087 0.000 2.332 1186 Y HA -0.367 4.182 4.550 -0.002 0.000 0.283 1186 Y C 2.059 177.952 175.900 -0.013 0.000 1.186 1186 Y CA 1.745 59.766 58.100 -0.132 0.000 1.266 1186 Y CB -0.251 38.085 38.460 -0.208 0.000 0.973 1186 Y HN 0.452 nan 8.280 nan 0.000 0.548 1187 A N 0.291 123.275 122.820 0.272 0.000 1.834 1187 A HA -0.211 4.108 4.320 -0.002 0.000 0.216 1187 A C 2.465 180.156 177.584 0.178 0.000 1.203 1187 A CA 2.161 54.319 52.037 0.202 0.000 0.621 1187 A CB -1.687 17.416 19.000 0.171 0.000 0.841 1187 A HN 0.570 nan 8.150 nan 0.000 0.446 1188 A N -0.162 122.793 122.820 0.224 0.000 1.869 1188 A HA -0.308 4.011 4.320 -0.002 0.000 0.218 1188 A C 2.166 179.952 177.584 0.337 0.000 1.203 1188 A CA 2.728 54.939 52.037 0.290 0.000 0.638 1188 A CB -0.815 18.436 19.000 0.418 0.000 0.831 1188 A HN 0.616 nan 8.150 nan 0.000 0.450 1189 K N -0.411 120.114 120.400 0.209 0.000 2.049 1189 K HA -0.243 4.076 4.320 -0.002 0.000 0.219 1189 K C 2.004 178.640 176.600 0.060 0.000 1.056 1189 K CA 2.155 58.474 56.287 0.053 0.000 0.946 1189 K CB -0.532 31.743 32.500 -0.374 0.000 0.723 1189 K HN 0.505 nan 8.250 nan 0.000 0.453 1190 L N 0.816 122.042 121.223 0.005 0.000 1.978 1190 L HA -0.263 4.076 4.340 -0.002 0.000 0.218 1190 L C 2.789 179.692 176.870 0.054 0.000 1.075 1190 L CA 1.673 56.538 54.840 0.042 0.000 0.767 1190 L CB -0.654 41.468 42.059 0.106 0.000 0.890 1190 L HN 0.418 nan 8.230 nan 0.000 0.434 1191 L N -0.737 120.505 121.223 0.032 0.000 1.990 1191 L HA -0.298 4.041 4.340 -0.002 0.000 0.213 1191 L C 2.584 179.405 176.870 -0.082 0.000 1.072 1191 L CA 1.820 56.618 54.840 -0.069 0.000 0.755 1191 L CB -0.367 41.583 42.059 -0.182 0.000 0.889 1191 L HN 0.004 nan 8.230 nan 0.000 0.432 1192 F N 0.010 119.967 119.950 0.012 0.000 2.126 1192 F HA -0.294 4.232 4.527 -0.002 0.000 0.299 1192 F C 2.696 178.500 175.800 0.006 0.000 1.096 1192 F CA 1.863 59.870 58.000 0.012 0.000 1.255 1192 F CB -0.538 38.469 39.000 0.012 0.000 0.997 1192 F HN 0.200 nan 8.300 nan 0.000 0.479 1193 Q N -0.029 119.878 119.800 0.177 0.000 2.020 1193 Q HA -0.234 4.105 4.340 -0.002 0.000 0.202 1193 Q C 2.135 178.172 176.000 0.062 0.000 0.982 1193 Q CA 1.684 57.542 55.803 0.091 0.000 0.838 1193 Q CB -0.363 28.402 28.738 0.045 0.000 0.899 1193 Q HN 0.456 nan 8.270 nan 0.000 0.423 1194 E N 0.265 120.491 120.200 0.044 0.000 2.267 1194 E HA -0.171 4.178 4.350 -0.002 0.000 0.197 1194 E C 1.813 178.426 176.600 0.020 0.000 0.998 1194 E CA 0.559 56.975 56.400 0.026 0.000 0.830 1194 E CB 0.067 29.775 29.700 0.014 0.000 0.751 1194 E HN 0.315 nan 8.360 nan 0.000 0.491 1195 L N -0.107 121.130 121.223 0.025 0.000 2.131 1195 L HA -0.111 4.228 4.340 -0.002 0.000 0.206 1195 L C 2.287 179.183 176.870 0.043 0.000 1.087 1195 L CA 0.403 55.256 54.840 0.022 0.000 0.767 1195 L CB -0.275 41.794 42.059 0.016 0.000 0.917 1195 L HN 0.283 nan 8.230 nan 0.000 0.441 1196 M N -0.216 119.420 119.600 0.060 0.000 2.144 1196 M HA -0.202 4.277 4.480 -0.002 0.000 0.260 1196 M C 2.555 178.879 176.300 0.040 0.000 1.067 1196 M CA 2.013 57.346 55.300 0.056 0.000 1.095 1196 M CB -1.430 31.206 32.600 0.060 0.000 1.365 1196 M HN 0.355 nan 8.290 nan 0.000 0.406 1197 S N -0.194 115.526 115.700 0.034 0.000 2.474 1197 S HA -0.032 4.438 4.470 -0.002 0.000 0.235 1197 S C 1.617 176.231 174.600 0.024 0.000 0.997 1197 S CA 0.639 58.855 58.200 0.027 0.000 0.949 1197 S CB -0.224 62.991 63.200 0.025 0.000 0.766 1197 S HN 0.552 nan 8.310 nan 0.000 0.517 1198 M N 1.167 120.781 119.600 0.023 0.000 2.475 1198 M HA 0.315 4.794 4.480 -0.002 0.000 0.261 1198 M C -0.183 176.131 176.300 0.023 0.000 1.177 1198 M CA -0.055 55.257 55.300 0.019 0.000 0.979 1198 M CB -0.608 32.000 32.600 0.014 0.000 1.482 1198 M HN 0.400 nan 8.290 nan 0.000 0.484 1199 N N 1.789 120.505 118.700 0.028 0.000 2.741 1199 N HA -0.148 4.591 4.740 -0.002 0.000 0.250 1199 N C -0.480 175.050 175.510 0.034 0.000 1.115 1199 N CA 0.276 53.344 53.050 0.030 0.000 0.724 1199 N CB -1.475 37.026 38.487 0.024 0.000 1.090 1199 N HN 0.523 nan 8.380 nan 0.000 0.558 1200 I N -3.140 117.453 120.570 0.039 0.000 2.465 1200 I HA 0.783 4.952 4.170 -0.002 0.000 0.291 1200 I C -0.263 175.895 176.117 0.068 0.000 1.014 1200 I CA -1.174 60.153 61.300 0.045 0.000 1.093 1200 I CB 2.075 40.096 38.000 0.035 0.000 1.267 1200 I HN -0.069 nan 8.210 nan 0.000 0.431 1201 A N 6.524 129.390 122.820 0.077 0.000 2.316 1201 A HA 0.714 5.033 4.320 -0.002 0.000 0.324 1201 A C -2.532 175.131 177.584 0.132 0.000 1.375 1201 A CA -1.441 50.657 52.037 0.102 0.000 0.882 1201 A CB -0.023 19.028 19.000 0.084 0.000 1.152 1201 A HN 0.611 nan 8.150 nan 0.000 0.512 1202 P HA 0.304 nan 4.420 nan 0.000 0.268 1202 P C -0.386 177.033 177.300 0.199 0.000 1.485 1202 P CA -0.212 63.043 63.100 0.259 0.000 1.102 1202 P CB 0.205 32.224 31.700 0.532 0.000 1.501 1203 R N 2.496 123.094 120.500 0.164 0.000 2.370 1203 R HA 0.168 4.507 4.340 -0.002 0.000 0.309 1203 R C 0.447 176.849 176.300 0.170 0.000 1.059 1203 R CA 0.074 56.274 56.100 0.168 0.000 0.981 1203 R CB -0.310 30.146 30.300 0.260 0.000 0.972 1203 R HN 0.466 nan 8.270 nan 0.000 0.437 1204 L N 4.869 126.132 121.223 0.068 0.000 2.796 1204 L HA 0.231 4.570 4.340 -0.002 0.000 0.235 1204 L C -0.162 176.744 176.870 0.060 0.000 1.344 1204 L CA -0.370 54.489 54.840 0.033 0.000 1.245 1204 L CB -0.341 41.658 42.059 -0.101 0.000 1.556 1204 L HN 0.532 nan 8.230 nan 0.000 0.423 1205 F N 1.231 121.178 119.950 -0.004 0.000 2.447 1205 F HA -0.089 4.437 4.527 -0.002 0.000 0.339 1205 F C 1.690 177.483 175.800 -0.010 0.000 1.196 1205 F CA 0.714 58.714 58.000 -0.001 0.000 0.969 1205 F CB 0.061 39.064 39.000 0.004 0.000 1.106 1205 F HN 0.266 nan 8.300 nan 0.000 0.594 1206 T N 3.518 118.068 114.554 -0.007 0.000 2.887 1206 T HA 0.058 4.407 4.350 -0.002 0.000 0.371 1206 T C 1.166 175.851 174.700 -0.025 0.000 1.126 1206 T CA -0.400 61.681 62.100 -0.031 0.000 1.043 1206 T CB 0.459 69.273 68.868 -0.091 0.000 1.362 1206 T HN 0.620 nan 8.240 nan 0.000 0.525 1207 K N -0.045 120.270 120.400 -0.142 0.000 2.351 1207 K HA -0.078 4.241 4.320 -0.002 0.000 0.255 1207 K C 1.753 178.315 176.600 -0.064 0.000 1.108 1207 K CA 0.580 56.784 56.287 -0.139 0.000 0.813 1207 K CB -0.237 32.108 32.500 -0.260 0.000 1.073 1207 K HN 0.612 nan 8.250 nan 0.000 0.511 1208 N N 0.465 119.145 118.700 -0.034 0.000 2.313 1208 N HA -0.241 4.498 4.740 -0.002 0.000 0.196 1208 N C 1.087 176.686 175.510 0.149 0.000 0.995 1208 N CA 1.524 54.614 53.050 0.067 0.000 0.899 1208 N CB -0.450 38.078 38.487 0.070 0.000 0.977 1208 N HN 0.440 nan 8.380 nan 0.000 0.451 1209 H N 0.524 119.568 119.070 -0.044 0.000 2.554 1209 H HA -0.091 4.464 4.556 -0.001 0.000 0.290 1209 H C 0.758 175.972 175.328 -0.191 0.000 1.058 1209 H CA 0.912 56.889 56.048 -0.117 0.000 1.224 1209 H CB -0.680 28.994 29.762 -0.146 0.000 1.359 1209 H HN 0.566 nan 8.280 nan 0.000 0.589 1210 K N 0.000 120.428 120.400 0.047 0.000 2.780 1210 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 1210 K CA 0.000 56.347 56.287 0.099 0.000 0.838 1210 K CB 0.000 32.938 32.500 0.730 0.000 1.064 1210 K HN 0.000 nan 8.250 nan 0.000 0.543