REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3an1_1_A DATA FIRST_RESID 3 DATA SEQUENCE ADELVFFVNG KKVVEKNADP ETTLLVYLRR KLGLCGTKLG CGEGGCGACT DATA SEQUENCE VMISKYDRLQ NKIVHFSVNA CLAPICSLHH VAVTTVEGIG NTQKLHPVQE DATA SEQUENCE RIARSHGSQC GFCTPGIVMS MYTLLRNQPE PTVEEIENAF QGNLCRCTGY DATA SEQUENCE RPILQGFRTF AKDGXXXXXX XXXXXXXXXX XXXXXXXXSP SLFNPEDFKP DATA SEQUENCE LDPTQEPIFP PELLRLKDTP QKKLRFEGER VTWIQASTME ELLDLKAQHP DATA SEQUENCE DAKLVVGNTE IGIEMKFKNM LFPLIVCPAW IPELNSVVHG PEGISFGASC DATA SEQUENCE PLSLVESVLA EEIAKLPEQK TEVFRGVMEQ LRWFAGKQVK SVASIGGNII DATA SEQUENCE TASPISDLNP VFMASGAKLT LVSRGTRRTV RMDHTFFPGY RKTLLRPEEI DATA SEQUENCE LLSIEIPYSK EGEFFSAFKQ ASRREADIAK VTSGMRVLFK PGTIEVQELS DATA SEQUENCE LCFGGMADRT ISALKTTPKQ LSKSWNEELL QSVCAGLAEE LQLAPDAPGG DATA SEQUENCE MVEFRRTLTL SFFFKFYLTV LQKLGRADLE DMCGKLDPTF ASATLLFQKD DATA SEQUENCE PPANVQLFQE VPKDQSEEDM VGRPLPHLAA NMQASGEAVY CDDIPRYENE DATA SEQUENCE LSLRLVTSTR AHAKITSIDT SEAKKVPGFV CFLTAEDVPN SNATGLFNDE DATA SEQUENCE TVFAKDEVTC VGHIIGAVVA DTPEHAQRAA RGVKITYEDL PAIITIQDAI DATA SEQUENCE NNNSFYGSEI KIEKGDLKKG FSEADNVVSG ELYIGGQEHF YLETNCTIAV DATA SEQUENCE PKGEAGEMEL FVSTQNTMKT QSFVAKMLGV PDNRIVVRVK RMGGGFGGKE DATA SEQUENCE TRSTVVSTAL ALAAHKTGRP VRCMLDRDED MLITGGRHPF LAKYKVGFMK DATA SEQUENCE TGTVVALEVA HFSNGGNTED LSRSIMERAL FHMDNAYKIP NIRGTGRICK DATA SEQUENCE TNLPSNTAFR GFGGPQGMLI AEYWMSEVAI TCGLPAEEVR RKNMYKEGDL DATA SEQUENCE THFNQKLEGF TLPRCWDECI ASSQYLARKR EVEKFNRENC WKKRGLCIIP DATA SEQUENCE TKFGISFTLP FLNQGGALVH VYTDGSVLLT HGGTEMGQGL HTKMVQVASR DATA SEQUENCE ALKIPTSKIH ISETSTNTVP NTSPTAASAS ADLNGQGVYE ACQTILKRLE DATA SEQUENCE PFKKKKPTGP WEAWVMDAYT SAVSLSATGF YKTPNLGYSF ETNSGNPFHY DATA SEQUENCE FSYGVACSEV EIDCLTGDHK NLRTDIVMDV GSSLNPAIDI GQVEGAFVQG DATA SEQUENCE LGLFTMEELH YSPEGSLHTR GPSTYKIPAF GSIPIEFRVS LLRDCPNKRA DATA SEQUENCE IYASKAVGEP PLFLASSIFF AIKDAIRAAR AQHGDNAKQL FQLDSPATPE DATA SEQUENCE KIRNACVDQF TTLCVXXXXX XCKSWSVRI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.458 177.584 -0.210 0.000 1.274 3 A CA 0.000 51.991 52.037 -0.077 0.000 0.836 3 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 4 D N 0.631 120.888 120.400 -0.239 0.000 1.696 4 D HA -0.047 4.507 4.640 -0.143 0.000 0.209 4 D C -0.275 176.124 176.300 0.166 0.000 1.312 4 D CA 0.515 54.492 54.000 -0.038 0.000 0.485 4 D CB -0.689 40.108 40.800 -0.005 0.000 3.288 4 D HN 0.633 nan 8.370 nan 0.000 0.198 5 E N 0.725 121.029 120.200 0.172 0.000 2.354 5 E HA 0.416 4.680 4.350 -0.143 0.000 0.269 5 E C -0.792 176.030 176.600 0.370 0.000 1.036 5 E CA -0.482 56.058 56.400 0.234 0.000 0.876 5 E CB 1.798 31.602 29.700 0.173 0.000 1.009 5 E HN 0.251 nan 8.360 nan 0.000 0.416 6 L N 3.598 125.010 121.223 0.316 0.000 2.282 6 L HA 0.352 4.606 4.340 -0.143 0.000 0.288 6 L C -1.312 175.747 176.870 0.315 0.000 1.033 6 L CA -0.544 54.490 54.840 0.323 0.000 0.807 6 L CB 1.448 43.430 42.059 -0.128 0.000 1.209 6 L HN 0.245 nan 8.230 nan 0.000 0.423 7 V N 7.065 127.258 119.914 0.466 0.000 2.482 7 V HA 0.611 4.645 4.120 -0.143 0.000 0.295 7 V C -0.476 175.726 176.094 0.180 0.000 1.026 7 V CA -0.361 62.021 62.300 0.137 0.000 0.856 7 V CB 1.048 32.963 31.823 0.153 0.000 1.001 7 V HN 0.752 nan 8.190 nan 0.000 0.424 8 F N 2.753 122.637 119.950 -0.109 0.000 2.754 8 F HA 0.888 5.330 4.527 -0.143 0.000 0.320 8 F C -1.788 173.900 175.800 -0.187 0.000 1.156 8 F CA -1.512 56.481 58.000 -0.011 0.000 0.950 8 F CB 1.446 40.458 39.000 0.020 0.000 1.388 8 F HN 0.221 nan 8.300 nan 0.000 0.485 9 F N 0.919 120.944 119.950 0.125 0.000 2.532 9 F HA 0.731 5.172 4.527 -0.143 0.000 0.321 9 F C -0.683 175.169 175.800 0.087 0.000 1.089 9 F CA -1.196 56.792 58.000 -0.020 0.000 0.926 9 F CB 2.322 41.278 39.000 -0.073 0.000 1.168 9 F HN 0.352 nan 8.300 nan 0.000 0.459 10 V N 3.269 123.276 119.914 0.154 0.000 2.443 10 V HA 0.297 4.332 4.120 -0.143 0.000 0.293 10 V C -0.478 175.675 176.094 0.098 0.000 1.021 10 V CA -1.257 61.134 62.300 0.152 0.000 0.848 10 V CB 1.389 33.290 31.823 0.130 0.000 0.998 10 V HN 0.830 nan 8.190 nan 0.000 0.424 11 N N 3.955 122.705 118.700 0.082 0.000 2.721 11 N HA -0.221 4.434 4.740 -0.143 0.000 0.249 11 N C 1.198 176.742 175.510 0.056 0.000 1.072 11 N CA 1.713 54.788 53.050 0.042 0.000 0.710 11 N CB -1.125 37.370 38.487 0.014 0.000 0.993 11 N HN 1.572 nan 8.380 nan 0.000 0.547 12 G N -1.694 107.165 108.800 0.099 0.000 2.176 12 G HA2 -0.348 3.527 3.960 -0.143 0.000 0.253 12 G HA3 -0.348 3.527 3.960 -0.143 0.000 0.253 12 G C -0.048 174.984 174.900 0.219 0.000 0.979 12 G CA 0.722 45.890 45.100 0.113 0.000 0.641 12 G HN 0.476 nan 8.290 nan 0.000 0.530 13 K N 0.662 121.154 120.400 0.154 0.000 2.156 13 K HA 0.391 4.625 4.320 -0.143 0.000 0.271 13 K C 0.170 176.684 176.600 -0.142 0.000 0.995 13 K CA -0.726 55.585 56.287 0.040 0.000 0.890 13 K CB 1.892 34.377 32.500 -0.026 0.000 1.073 13 K HN 0.201 nan 8.250 nan 0.000 0.454 14 K N 2.340 122.524 120.400 -0.360 0.000 2.368 14 K HA 0.120 4.354 4.320 -0.143 0.000 0.282 14 K C -0.737 175.511 176.600 -0.586 0.000 1.035 14 K CA -0.307 55.440 56.287 -0.900 0.000 0.973 14 K CB 0.693 32.759 32.500 -0.724 0.000 0.957 14 K HN 0.253 nan 8.250 nan 0.000 0.474 15 V N 5.162 124.639 119.914 -0.728 0.000 2.398 15 V HA 0.266 4.301 4.120 -0.143 0.000 0.286 15 V C -0.584 175.198 176.094 -0.520 0.000 1.026 15 V CA -0.834 61.096 62.300 -0.616 0.000 0.868 15 V CB 1.651 32.906 31.823 -0.947 0.000 0.982 15 V HN 0.500 nan 8.190 nan 0.000 0.443 16 V N 4.081 123.826 119.914 -0.282 0.000 2.349 16 V HA 0.430 4.464 4.120 -0.143 0.000 0.284 16 V C -0.343 175.712 176.094 -0.066 0.000 1.014 16 V CA -0.607 61.602 62.300 -0.152 0.000 0.826 16 V CB 1.645 33.416 31.823 -0.087 0.000 1.009 16 V HN 0.908 nan 8.190 nan 0.000 0.431 17 E N 3.876 124.056 120.200 -0.032 0.000 2.092 17 E HA 0.381 4.645 4.350 -0.143 0.000 0.271 17 E C 0.529 177.164 176.600 0.058 0.000 0.919 17 E CA -0.238 56.181 56.400 0.031 0.000 0.760 17 E CB 1.393 31.094 29.700 0.001 0.000 1.106 17 E HN 0.515 nan 8.360 nan 0.000 0.408 18 K N 2.890 123.329 120.400 0.065 0.000 2.365 18 K HA 0.184 4.418 4.320 -0.143 0.000 0.197 18 K C 0.010 176.667 176.600 0.094 0.000 1.042 18 K CA 0.334 56.668 56.287 0.079 0.000 0.987 18 K CB 0.390 32.924 32.500 0.058 0.000 0.779 18 K HN 0.325 nan 8.250 nan 0.000 0.484 19 N N 0.998 119.748 118.700 0.083 0.000 2.679 19 N HA 0.158 4.812 4.740 -0.143 0.000 0.302 19 N C -1.339 174.212 175.510 0.068 0.000 1.941 19 N CA -0.092 53.011 53.050 0.087 0.000 0.875 19 N CB 1.521 40.052 38.487 0.073 0.000 1.278 19 N HN 0.025 nan 8.380 nan 0.000 0.490 20 A N 0.608 123.447 122.820 0.031 0.000 2.488 20 A HA 0.094 4.328 4.320 -0.143 0.000 0.249 20 A C 0.233 177.783 177.584 -0.057 0.000 1.083 20 A CA 0.140 52.115 52.037 -0.104 0.000 0.768 20 A CB 0.458 19.200 19.000 -0.430 0.000 1.017 20 A HN 0.259 nan 8.150 nan 0.000 0.496 21 D N 2.881 123.249 120.400 -0.053 0.000 2.232 21 D HA 0.345 4.899 4.640 -0.143 0.000 0.242 21 D C -1.829 174.426 176.300 -0.076 0.000 1.093 21 D CA -1.859 52.134 54.000 -0.012 0.000 0.845 21 D CB 1.638 42.452 40.800 0.023 0.000 1.124 21 D HN 0.137 nan 8.370 nan 0.000 0.467 22 P HA -0.086 nan 4.420 nan 0.000 0.221 22 P C 0.483 177.794 177.300 0.017 0.000 1.145 22 P CA 0.988 64.082 63.100 -0.011 0.000 0.795 22 P CB 0.324 32.184 31.700 0.267 0.000 0.775 23 E N -1.565 118.660 120.200 0.042 0.000 2.481 23 E HA 0.013 4.277 4.350 -0.143 0.000 0.195 23 E C 0.053 176.660 176.600 0.012 0.000 1.047 23 E CA 0.386 56.817 56.400 0.051 0.000 0.867 23 E CB -0.266 29.470 29.700 0.059 0.000 0.858 23 E HN 0.218 nan 8.360 nan 0.000 0.513 24 T N 2.134 116.671 114.554 -0.028 0.000 2.761 24 T HA 0.110 4.374 4.350 -0.143 0.000 0.296 24 T C 0.369 175.041 174.700 -0.046 0.000 0.934 24 T CA -0.318 61.774 62.100 -0.013 0.000 1.091 24 T CB 1.077 69.952 68.868 0.012 0.000 0.896 24 T HN 0.139 nan 8.240 nan 0.000 0.515 25 T N 1.401 115.956 114.554 0.001 0.000 2.849 25 T HA 0.302 4.567 4.350 -0.143 0.000 0.284 25 T C 1.351 176.057 174.700 0.010 0.000 1.004 25 T CA -0.954 61.142 62.100 -0.006 0.000 1.021 25 T CB 0.676 69.564 68.868 0.033 0.000 1.013 25 T HN 0.266 nan 8.240 nan 0.000 0.527 26 L N 1.291 122.500 121.223 -0.024 0.000 2.093 26 L HA 0.116 4.371 4.340 -0.143 0.000 0.208 26 L C 2.131 179.052 176.870 0.084 0.000 1.085 26 L CA 1.429 56.266 54.840 -0.005 0.000 0.755 26 L CB -1.353 40.666 42.059 -0.067 0.000 0.904 26 L HN 0.771 nan 8.230 nan 0.000 0.435 27 L N -1.071 120.190 121.223 0.064 0.000 2.012 27 L HA -0.165 4.089 4.340 -0.143 0.000 0.210 27 L C 2.372 179.287 176.870 0.074 0.000 1.073 27 L CA 1.961 56.841 54.840 0.067 0.000 0.748 27 L CB -0.787 41.310 42.059 0.063 0.000 0.891 27 L HN 0.110 nan 8.230 nan 0.000 0.431 28 V N -1.238 118.722 119.914 0.077 0.000 2.427 28 V HA -0.309 3.725 4.120 -0.143 0.000 0.248 28 V C 2.244 178.385 176.094 0.079 0.000 1.051 28 V CA 1.915 64.253 62.300 0.064 0.000 1.048 28 V CB -0.873 30.982 31.823 0.053 0.000 0.666 28 V HN 0.581 nan 8.190 nan 0.000 0.456 29 Y N 0.246 120.550 120.300 0.006 0.000 2.163 29 Y HA -0.177 4.287 4.550 -0.143 0.000 0.288 29 Y C 2.242 178.162 175.900 0.033 0.000 1.136 29 Y CA 1.593 59.708 58.100 0.025 0.000 1.147 29 Y CB -0.132 38.364 38.460 0.061 0.000 0.987 29 Y HN 0.122 nan 8.280 nan 0.000 0.509 30 L N -0.444 120.900 121.223 0.201 0.000 2.012 30 L HA -0.275 3.979 4.340 -0.143 0.000 0.210 30 L C 2.565 179.437 176.870 0.003 0.000 1.073 30 L CA 1.766 56.671 54.840 0.107 0.000 0.748 30 L CB -0.487 41.631 42.059 0.099 0.000 0.891 30 L HN 0.158 nan 8.230 nan 0.000 0.431 31 R N -0.663 119.837 120.500 -0.000 0.000 2.062 31 R HA -0.040 4.214 4.340 -0.143 0.000 0.226 31 R C 2.428 178.695 176.300 -0.056 0.000 1.125 31 R CA 1.057 57.145 56.100 -0.020 0.000 0.966 31 R CB -0.113 30.187 30.300 0.000 0.000 0.861 31 R HN 0.288 nan 8.270 nan 0.000 0.433 32 R N -0.087 120.366 120.500 -0.077 0.000 2.128 32 R HA 0.022 4.276 4.340 -0.143 0.000 0.211 32 R C 2.069 178.264 176.300 -0.175 0.000 1.067 32 R CA 0.690 56.729 56.100 -0.101 0.000 1.010 32 R CB 0.112 30.369 30.300 -0.072 0.000 0.922 32 R HN -0.112 nan 8.270 nan 0.000 0.457 33 K N 0.784 120.999 120.400 -0.307 0.000 2.098 33 K HA 0.074 4.308 4.320 -0.143 0.000 0.203 33 K C 1.492 177.887 176.600 -0.341 0.000 1.051 33 K CA 1.153 57.165 56.287 -0.458 0.000 0.957 33 K CB 0.222 32.087 32.500 -1.058 0.000 0.738 33 K HN 0.046 nan 8.250 nan 0.000 0.447 34 L N -1.202 119.854 121.223 -0.278 0.000 2.616 34 L HA 0.319 4.573 4.340 -0.143 0.000 0.229 34 L C 0.955 177.767 176.870 -0.098 0.000 1.110 34 L CA 0.308 55.055 54.840 -0.155 0.000 0.884 34 L CB 0.265 42.278 42.059 -0.076 0.000 1.115 34 L HN 0.493 nan 8.230 nan 0.000 0.481 35 G N 1.194 109.937 108.800 -0.095 0.000 2.148 35 G HA2 -0.292 3.582 3.960 -0.143 0.000 0.254 35 G HA3 -0.292 3.582 3.960 -0.143 0.000 0.254 35 G C 0.214 175.087 174.900 -0.045 0.000 0.981 35 G CA -0.092 44.967 45.100 -0.069 0.000 0.670 35 G HN 0.256 nan 8.290 nan 0.000 0.528 36 L N 0.631 121.834 121.223 -0.033 0.000 2.334 36 L HA 0.316 4.571 4.340 -0.143 0.000 0.286 36 L C 1.260 178.122 176.870 -0.013 0.000 1.108 36 L CA -0.793 54.037 54.840 -0.018 0.000 0.875 36 L CB 0.819 42.876 42.059 -0.004 0.000 1.246 36 L HN 0.202 nan 8.230 nan 0.000 0.439 37 C N 1.518 120.811 119.300 -0.012 0.000 2.693 37 C HA 0.114 4.488 4.460 -0.143 0.000 0.286 37 C C 2.247 177.229 174.990 -0.013 0.000 1.277 37 C CA -0.017 58.998 59.018 -0.005 0.000 1.705 37 C CB -0.875 26.873 27.740 0.013 0.000 1.879 37 C HN 1.030 nan 8.230 nan 0.000 0.607 38 G N 0.833 109.621 108.800 -0.019 0.000 2.422 38 G HA2 -0.074 3.800 3.960 -0.143 0.000 0.218 38 G HA3 -0.074 3.800 3.960 -0.143 0.000 0.218 38 G C 0.766 175.614 174.900 -0.087 0.000 1.140 38 G CA 0.827 45.906 45.100 -0.035 0.000 0.775 38 G HN 0.509 nan 8.290 nan 0.000 0.545 39 T N 2.141 116.654 114.554 -0.068 0.000 2.851 39 T HA 0.433 4.697 4.350 -0.143 0.000 0.298 39 T C -0.077 174.551 174.700 -0.120 0.000 0.977 39 T CA -0.016 62.038 62.100 -0.077 0.000 1.126 39 T CB 1.383 70.236 68.868 -0.025 0.000 0.916 39 T HN -0.026 nan 8.240 nan 0.000 0.529 40 K N 2.005 122.291 120.400 -0.191 0.000 2.281 40 K HA 0.514 4.748 4.320 -0.143 0.000 0.242 40 K C -0.735 175.825 176.600 -0.068 0.000 0.971 40 K CA -1.135 54.980 56.287 -0.288 0.000 0.834 40 K CB 2.183 34.131 32.500 -0.921 0.000 1.181 40 K HN 0.380 nan 8.250 nan 0.000 0.435 41 L N 0.909 122.173 121.223 0.068 0.000 2.264 41 L HA 0.441 4.695 4.340 -0.143 0.000 0.289 41 L C 0.787 177.837 176.870 0.300 0.000 1.044 41 L CA 0.613 55.552 54.840 0.164 0.000 0.807 41 L CB 1.061 43.213 42.059 0.156 0.000 1.192 41 L HN 0.851 nan 8.230 nan 0.000 0.425 42 G N 2.133 111.095 108.800 0.270 0.000 2.727 42 G HA2 0.105 3.980 3.960 -0.143 0.000 0.207 42 G HA3 0.105 3.980 3.960 -0.143 0.000 0.207 42 G C 0.706 175.737 174.900 0.219 0.000 1.060 42 G CA 0.682 45.963 45.100 0.301 0.000 0.814 42 G HN 0.880 nan 8.290 nan 0.000 0.576 43 C N -3.765 115.677 119.300 0.238 0.000 4.914 43 C HA 0.518 4.892 4.460 -0.143 0.000 0.505 43 C C 1.992 177.170 174.990 0.314 0.000 1.350 43 C CA 0.603 59.778 59.018 0.263 0.000 2.421 43 C CB 0.128 28.065 27.740 0.329 0.000 3.334 43 C HN 1.508 nan 8.230 nan 0.000 0.512 44 G N 2.739 111.709 108.800 0.284 0.000 2.166 44 G HA2 -0.288 3.587 3.960 -0.143 0.000 0.260 44 G HA3 -0.288 3.587 3.960 -0.143 0.000 0.260 44 G C 0.248 175.410 174.900 0.438 0.000 0.986 44 G CA 1.276 46.563 45.100 0.312 0.000 0.683 44 G HN 1.151 nan 8.290 nan 0.000 0.527 45 E N -1.961 118.449 120.200 0.349 0.000 2.759 45 E HA 0.453 4.717 4.350 -0.143 0.000 0.220 45 E C 1.470 178.178 176.600 0.180 0.000 0.974 45 E CA 0.261 56.819 56.400 0.264 0.000 1.148 45 E CB 0.398 30.085 29.700 -0.021 0.000 1.059 45 E HN 1.452 nan 8.360 nan 0.000 0.493 46 G N 0.702 109.619 108.800 0.196 0.000 2.195 46 G HA2 -0.317 3.557 3.960 -0.143 0.000 0.246 46 G HA3 -0.317 3.557 3.960 -0.143 0.000 0.246 46 G C 0.976 175.974 174.900 0.163 0.000 0.984 46 G CA 0.004 45.206 45.100 0.170 0.000 0.633 46 G HN 0.533 nan 8.290 nan 0.000 0.525 47 G N -0.256 108.646 108.800 0.170 0.000 2.683 47 G HA2 0.218 4.092 3.960 -0.143 0.000 0.213 47 G HA3 0.218 4.092 3.960 -0.143 0.000 0.213 47 G C 1.762 176.780 174.900 0.197 0.000 1.142 47 G CA 2.060 47.256 45.100 0.159 0.000 0.793 47 G HN 1.542 nan 8.290 nan 0.000 0.534 48 C N -2.278 117.167 119.300 0.242 0.000 3.019 48 C HA 0.575 4.949 4.460 -0.143 0.000 0.295 48 C C 2.266 177.417 174.990 0.268 0.000 1.256 48 C CA 0.502 59.693 59.018 0.288 0.000 1.706 48 C CB -0.117 27.853 27.740 0.384 0.000 2.153 48 C HN 1.008 nan 8.230 nan 0.000 0.618 49 G N 1.096 110.032 108.800 0.227 0.000 2.189 49 G HA2 -0.218 3.656 3.960 -0.143 0.000 0.267 49 G HA3 -0.218 3.656 3.960 -0.143 0.000 0.267 49 G C 1.288 176.293 174.900 0.175 0.000 0.975 49 G CA 0.847 46.071 45.100 0.205 0.000 0.644 49 G HN 1.496 nan 8.290 nan 0.000 0.537 50 A N -0.203 122.719 122.820 0.170 0.000 2.070 50 A HA 0.091 4.325 4.320 -0.143 0.000 0.220 50 A C 2.468 180.064 177.584 0.021 0.000 1.159 50 A CA 2.377 54.467 52.037 0.087 0.000 0.656 50 A CB -0.850 18.212 19.000 0.104 0.000 0.800 50 A HN 1.805 nan 8.150 nan 0.000 0.453 51 C N -2.088 117.251 119.300 0.065 0.000 2.780 51 C HA 0.378 4.752 4.460 -0.143 0.000 0.287 51 C C 0.829 175.853 174.990 0.057 0.000 1.288 51 C CA -0.528 58.519 59.018 0.048 0.000 1.713 51 C CB -2.092 25.694 27.740 0.077 0.000 1.955 51 C HN 0.306 nan 8.230 nan 0.000 0.613 52 T N 2.766 117.363 114.554 0.071 0.000 2.928 52 T HA 0.431 4.696 4.350 -0.143 0.000 0.305 52 T C 0.318 175.044 174.700 0.044 0.000 1.035 52 T CA 0.773 62.919 62.100 0.076 0.000 1.145 52 T CB 0.814 69.745 68.868 0.105 0.000 0.963 52 T HN 0.900 nan 8.240 nan 0.000 0.545 53 V N 1.160 121.094 119.914 0.033 0.000 3.182 53 V HA 0.738 4.772 4.120 -0.143 0.000 0.308 53 V C -0.676 175.413 176.094 -0.009 0.000 1.240 53 V CA -1.443 60.860 62.300 0.005 0.000 1.063 53 V CB 2.311 34.133 31.823 0.000 0.000 1.076 53 V HN 0.845 nan 8.190 nan 0.000 0.446 54 M N 2.240 121.826 119.600 -0.024 0.000 2.363 54 M HA 0.636 5.030 4.480 -0.143 0.000 0.343 54 M C -1.476 174.744 176.300 -0.133 0.000 1.165 54 M CA -0.737 54.529 55.300 -0.056 0.000 1.046 54 M CB 1.412 34.039 32.600 0.045 0.000 1.648 54 M HN 0.654 nan 8.290 nan 0.000 0.452 55 I N 2.431 122.780 120.570 -0.367 0.000 2.493 55 I HA 0.441 4.525 4.170 -0.143 0.000 0.298 55 I C -0.474 175.420 176.117 -0.370 0.000 0.998 55 I CA -0.458 60.567 61.300 -0.458 0.000 1.137 55 I CB 1.707 39.184 38.000 -0.872 0.000 1.310 55 I HN 0.620 nan 8.210 nan 0.000 0.445 56 S N 5.653 121.332 115.700 -0.035 0.000 2.513 56 S HA 0.737 5.121 4.470 -0.143 0.000 0.299 56 S C -0.504 174.258 174.600 0.270 0.000 1.087 56 S CA -0.837 57.447 58.200 0.140 0.000 1.012 56 S CB 2.616 66.080 63.200 0.439 0.000 1.044 56 S HN 0.697 nan 8.310 nan 0.000 0.485 57 K N 0.646 121.137 120.400 0.151 0.000 2.548 57 K HA 0.417 4.651 4.320 -0.143 0.000 0.282 57 K C -1.917 174.636 176.600 -0.077 0.000 1.006 57 K CA -0.975 55.466 56.287 0.257 0.000 0.892 57 K CB 1.037 33.698 32.500 0.268 0.000 1.499 57 K HN 0.519 nan 8.250 nan 0.000 0.433 58 Y N 1.999 122.274 120.300 -0.041 0.000 2.477 58 Y HA 0.130 4.594 4.550 -0.143 0.000 0.349 58 Y C -0.451 175.404 175.900 -0.076 0.000 0.977 58 Y CA -0.250 57.747 58.100 -0.172 0.000 1.214 58 Y CB 0.784 39.189 38.460 -0.091 0.000 1.124 58 Y HN 0.623 nan 8.280 nan 0.000 0.521 59 D N 6.504 126.576 120.400 -0.547 0.000 2.338 59 D HA 0.036 4.590 4.640 -0.143 0.000 0.255 59 D C 0.703 176.803 176.300 -0.332 0.000 1.237 59 D CA 0.045 53.856 54.000 -0.314 0.000 0.883 59 D CB 0.843 41.469 40.800 -0.291 0.000 1.087 59 D HN 0.727 nan 8.370 nan 0.000 0.485 60 R N 3.250 123.723 120.500 -0.046 0.000 2.115 60 R HA -0.119 4.135 4.340 -0.143 0.000 0.230 60 R C 1.973 178.271 176.300 -0.005 0.000 1.111 60 R CA 0.381 56.521 56.100 0.066 0.000 0.976 60 R CB -0.352 29.994 30.300 0.077 0.000 0.870 60 R HN 0.433 nan 8.270 nan 0.000 0.445 61 L N 1.633 122.832 121.223 -0.041 0.000 2.027 61 L HA -0.168 4.086 4.340 -0.143 0.000 0.206 61 L C 1.707 178.535 176.870 -0.071 0.000 1.074 61 L CA 1.767 56.581 54.840 -0.042 0.000 0.745 61 L CB -0.134 41.906 42.059 -0.032 0.000 0.898 61 L HN 0.084 nan 8.230 nan 0.000 0.433 62 Q N -0.379 119.347 119.800 -0.123 0.000 2.360 62 Q HA 0.106 4.360 4.340 -0.143 0.000 0.202 62 Q C -0.272 175.626 176.000 -0.170 0.000 0.915 62 Q CA 0.283 56.005 55.803 -0.135 0.000 0.943 62 Q CB -0.174 28.476 28.738 -0.148 0.000 1.064 62 Q HN 0.526 nan 8.270 nan 0.000 0.511 63 N N 2.590 121.170 118.700 -0.200 0.000 2.666 63 N HA -0.241 4.413 4.740 -0.143 0.000 0.274 63 N C -1.299 173.993 175.510 -0.364 0.000 1.043 63 N CA 1.164 54.077 53.050 -0.228 0.000 0.782 63 N CB -0.826 37.684 38.487 0.039 0.000 0.912 63 N HN 0.429 nan 8.380 nan 0.000 0.556 64 K N -1.464 118.471 120.400 -0.775 0.000 2.607 64 K HA 0.446 4.680 4.320 -0.143 0.000 0.287 64 K C -1.124 175.028 176.600 -0.747 0.000 0.996 64 K CA -1.006 54.947 56.287 -0.556 0.000 0.876 64 K CB 1.084 33.407 32.500 -0.294 0.000 1.496 64 K HN -0.007 nan 8.250 nan 0.000 0.415 65 I N 2.371 122.642 120.570 -0.499 0.000 2.598 65 I HA 0.072 4.156 4.170 -0.143 0.000 0.284 65 I C 0.306 176.068 176.117 -0.592 0.000 1.140 65 I CA -0.312 60.606 61.300 -0.635 0.000 1.420 65 I CB 0.815 38.413 38.000 -0.671 0.000 1.387 65 I HN 0.458 nan 8.210 nan 0.000 0.553 66 V N 3.859 123.429 119.914 -0.574 0.000 3.046 66 V HA 0.641 4.675 4.120 -0.143 0.000 0.316 66 V C -0.684 175.090 176.094 -0.534 0.000 1.104 66 V CA -0.646 61.388 62.300 -0.442 0.000 1.006 66 V CB 2.134 33.862 31.823 -0.157 0.000 1.058 66 V HN 0.615 nan 8.190 nan 0.000 0.440 67 H N 2.809 121.918 119.070 0.066 0.000 2.759 67 H HA 0.742 5.212 4.556 -0.143 0.000 0.354 67 H C -1.151 174.253 175.328 0.126 0.000 1.074 67 H CA -0.188 55.868 56.048 0.013 0.000 1.226 67 H CB 1.891 31.626 29.762 -0.045 0.000 1.648 67 H HN 0.894 nan 8.280 nan 0.000 0.529 68 F N -0.500 119.510 119.950 0.100 0.000 2.686 68 F HA 0.570 5.010 4.527 -0.144 0.000 0.311 68 F C -0.572 175.261 175.800 0.054 0.000 1.128 68 F CA -1.202 56.824 58.000 0.042 0.000 0.946 68 F CB 1.234 40.241 39.000 0.011 0.000 1.336 68 F HN 0.358 nan 8.300 nan 0.000 0.457 69 S N 1.167 116.979 115.700 0.186 0.000 2.608 69 S HA 0.900 5.284 4.470 -0.143 0.000 0.291 69 S C -0.655 174.054 174.600 0.181 0.000 1.146 69 S CA -0.098 58.157 58.200 0.092 0.000 1.043 69 S CB 1.578 64.823 63.200 0.075 0.000 1.037 69 S HN 1.702 nan 8.310 nan 0.000 0.520 70 V N -0.827 119.157 119.914 0.116 0.000 3.078 70 V HA 0.608 4.643 4.120 -0.143 0.000 0.311 70 V C -1.011 175.150 176.094 0.112 0.000 1.138 70 V CA -1.353 61.038 62.300 0.151 0.000 1.007 70 V CB 1.758 33.677 31.823 0.160 0.000 1.045 70 V HN 0.863 nan 8.190 nan 0.000 0.432 71 N N 1.914 120.689 118.700 0.124 0.000 2.399 71 N HA 0.326 4.980 4.740 -0.143 0.000 0.259 71 N C 1.165 176.733 175.510 0.097 0.000 1.160 71 N CA 0.581 53.701 53.050 0.116 0.000 0.946 71 N CB 1.697 40.265 38.487 0.135 0.000 1.156 71 N HN 1.031 nan 8.380 nan 0.000 0.489 72 A N 1.835 124.701 122.820 0.076 0.000 2.070 72 A HA -0.181 4.054 4.320 -0.143 0.000 0.220 72 A C 2.230 179.855 177.584 0.069 0.000 1.159 72 A CA 1.161 53.232 52.037 0.057 0.000 0.656 72 A CB -0.594 18.433 19.000 0.045 0.000 0.800 72 A HN 0.877 nan 8.150 nan 0.000 0.453 73 C N -2.428 116.929 119.300 0.094 0.000 2.456 73 C HA 0.294 4.668 4.460 -0.143 0.000 0.279 73 C C 1.785 176.843 174.990 0.114 0.000 1.427 73 C CA 0.595 59.678 59.018 0.108 0.000 1.778 73 C CB -1.382 26.442 27.740 0.140 0.000 1.842 73 C HN 0.430 nan 8.230 nan 0.000 0.531 74 L N 0.601 121.894 121.223 0.116 0.000 2.906 74 L HA 0.395 4.649 4.340 -0.143 0.000 0.255 74 L C 1.133 178.064 176.870 0.102 0.000 1.166 74 L CA 0.076 54.992 54.840 0.126 0.000 0.977 74 L CB 0.003 42.153 42.059 0.152 0.000 1.313 74 L HN 0.258 nan 8.230 nan 0.000 0.549 75 A N 1.186 124.045 122.820 0.066 0.000 2.260 75 A HA 0.583 4.817 4.320 -0.143 0.000 0.312 75 A C -2.482 175.078 177.584 -0.041 0.000 1.321 75 A CA -1.318 50.739 52.037 0.033 0.000 0.928 75 A CB -0.123 18.884 19.000 0.011 0.000 1.158 75 A HN -0.101 nan 8.150 nan 0.000 0.542 76 P HA 0.099 nan 4.420 nan 0.000 0.271 76 P C 1.213 178.281 177.300 -0.388 0.000 1.220 76 P CA -0.298 62.675 63.100 -0.213 0.000 0.768 76 P CB 0.536 32.070 31.700 -0.276 0.000 0.848 77 I N 0.022 120.326 120.570 -0.444 0.000 2.423 77 I HA -0.231 3.854 4.170 -0.143 0.000 0.254 77 I C 1.191 176.863 176.117 -0.742 0.000 1.151 77 I CA 1.504 62.433 61.300 -0.618 0.000 1.421 77 I CB -0.949 36.677 38.000 -0.623 0.000 1.079 77 I HN 0.184 nan 8.210 nan 0.000 0.431 78 C N 1.688 120.417 119.300 -0.952 0.000 2.449 78 C HA -0.025 4.350 4.460 -0.143 0.000 0.283 78 C C 3.056 177.499 174.990 -0.912 0.000 1.453 78 C CA 1.171 59.401 59.018 -1.313 0.000 1.779 78 C CB -1.582 25.010 27.740 -1.913 0.000 1.779 78 C HN 0.785 nan 8.230 nan 0.000 0.546 79 S N -0.287 115.057 115.700 -0.594 0.000 2.558 79 S HA 0.184 4.568 4.470 -0.143 0.000 0.217 79 S C 0.968 175.578 174.600 0.018 0.000 0.975 79 S CA 0.544 58.716 58.200 -0.048 0.000 0.912 79 S CB -0.373 62.895 63.200 0.114 0.000 0.776 79 S HN 0.656 nan 8.310 nan 0.000 0.526 80 L N 1.221 122.356 121.223 -0.147 0.000 2.818 80 L HA 0.396 4.650 4.340 -0.143 0.000 0.243 80 L C 0.458 177.373 176.870 0.076 0.000 1.185 80 L CA -0.561 54.209 54.840 -0.116 0.000 0.988 80 L CB -0.466 41.266 42.059 -0.544 0.000 1.292 80 L HN 0.298 nan 8.230 nan 0.000 0.519 81 H N 0.708 119.874 119.070 0.159 0.000 2.928 81 H HA -0.011 4.459 4.556 -0.143 0.000 0.338 81 H C 0.483 176.068 175.328 0.429 0.000 1.047 81 H CA 0.836 57.064 56.048 0.301 0.000 1.435 81 H CB 0.017 30.007 29.762 0.380 0.000 1.428 81 H HN 0.210 nan 8.280 nan 0.000 0.590 82 H N 0.607 119.658 119.070 -0.032 0.000 2.862 82 H HA -0.181 4.289 4.556 -0.143 0.000 0.290 82 H C -0.150 175.294 175.328 0.194 0.000 1.211 82 H CA 0.147 56.218 56.048 0.038 0.000 1.140 82 H CB -1.557 28.177 29.762 -0.047 0.000 1.341 82 H HN 0.406 nan 8.280 nan 0.000 0.392 83 V N -2.519 117.609 119.914 0.356 0.000 3.177 83 V HA 0.957 4.991 4.120 -0.143 0.000 0.319 83 V C 0.015 176.287 176.094 0.297 0.000 1.125 83 V CA -0.361 62.115 62.300 0.294 0.000 1.029 83 V CB 2.351 34.309 31.823 0.225 0.000 1.119 83 V HN 0.309 nan 8.190 nan 0.000 0.452 84 A N 1.765 124.712 122.820 0.211 0.000 2.311 84 A HA 0.781 5.015 4.320 -0.143 0.000 0.306 84 A C -0.640 177.033 177.584 0.149 0.000 1.189 84 A CA -0.573 51.570 52.037 0.177 0.000 0.791 84 A CB 1.083 20.063 19.000 -0.035 0.000 1.172 84 A HN 1.177 nan 8.150 nan 0.000 0.481 85 V N 2.407 122.430 119.914 0.181 0.000 2.509 85 V HA 0.494 4.528 4.120 -0.143 0.000 0.284 85 V C 0.354 176.497 176.094 0.081 0.000 1.047 85 V CA -0.065 62.296 62.300 0.102 0.000 0.952 85 V CB 1.562 33.467 31.823 0.137 0.000 0.988 85 V HN 0.884 nan 8.190 nan 0.000 0.469 86 T N 3.537 118.110 114.554 0.031 0.000 2.792 86 T HA 0.556 4.820 4.350 -0.143 0.000 0.280 86 T C 0.217 174.885 174.700 -0.054 0.000 0.990 86 T CA -0.482 61.610 62.100 -0.014 0.000 0.960 86 T CB 1.467 70.319 68.868 -0.028 0.000 0.939 86 T HN 0.937 nan 8.240 nan 0.000 0.439 87 T N -0.799 113.717 114.554 -0.064 0.000 2.889 87 T HA 0.432 4.696 4.350 -0.143 0.000 0.278 87 T C 1.554 176.171 174.700 -0.138 0.000 0.995 87 T CA -0.629 61.427 62.100 -0.073 0.000 0.966 87 T CB 0.900 69.749 68.868 -0.032 0.000 1.237 87 T HN 0.187 nan 8.240 nan 0.000 0.591 88 V N 0.821 120.668 119.914 -0.111 0.000 2.469 88 V HA -0.144 3.890 4.120 -0.143 0.000 0.251 88 V C 2.361 178.386 176.094 -0.114 0.000 1.064 88 V CA 2.365 64.589 62.300 -0.127 0.000 1.066 88 V CB -1.115 30.667 31.823 -0.068 0.000 0.667 88 V HN 0.935 nan 8.190 nan 0.000 0.461 89 E N 0.328 120.482 120.200 -0.076 0.000 2.268 89 E HA -0.037 4.227 4.350 -0.143 0.000 0.195 89 E C 2.071 178.628 176.600 -0.070 0.000 0.995 89 E CA 1.053 57.419 56.400 -0.056 0.000 0.836 89 E CB -0.585 29.095 29.700 -0.034 0.000 0.763 89 E HN 0.671 nan 8.360 nan 0.000 0.491 90 G N 0.831 109.569 108.800 -0.104 0.000 2.650 90 G HA2 -0.086 3.788 3.960 -0.143 0.000 0.214 90 G HA3 -0.086 3.788 3.960 -0.143 0.000 0.214 90 G C 1.513 176.318 174.900 -0.158 0.000 1.136 90 G CA 0.553 45.590 45.100 -0.105 0.000 0.789 90 G HN 0.421 nan 8.290 nan 0.000 0.536 91 I N -3.471 116.953 120.570 -0.243 0.000 4.035 91 I HA 0.585 4.669 4.170 -0.143 0.000 0.321 91 I C 0.721 176.807 176.117 -0.052 0.000 1.289 91 I CA 0.322 61.446 61.300 -0.293 0.000 1.236 91 I CB 0.840 38.357 38.000 -0.804 0.000 1.076 91 I HN 0.078 nan 8.210 nan 0.000 0.418 92 G N 1.493 110.275 108.800 -0.031 0.000 2.316 92 G HA2 0.371 4.246 3.960 -0.143 0.000 0.296 92 G HA3 0.371 4.246 3.960 -0.143 0.000 0.296 92 G C -2.119 172.789 174.900 0.013 0.000 1.399 92 G CA -0.306 44.815 45.100 0.034 0.000 0.833 92 G HN 0.554 nan 8.290 nan 0.000 0.565 93 N N -2.896 115.819 118.700 0.024 0.000 3.243 93 N HA 0.560 5.214 4.740 -0.143 0.000 0.280 93 N C 0.965 176.490 175.510 0.024 0.000 1.545 93 N CA 0.200 53.261 53.050 0.017 0.000 0.854 93 N CB 0.585 39.077 38.487 0.008 0.000 1.612 93 N HN 0.739 nan 8.380 nan 0.000 0.577 94 T N -3.569 110.998 114.554 0.022 0.000 2.962 94 T HA -0.116 4.148 4.350 -0.143 0.000 0.270 94 T C 1.003 175.717 174.700 0.023 0.000 1.088 94 T CA 1.018 63.133 62.100 0.025 0.000 1.127 94 T CB -0.316 68.567 68.868 0.026 0.000 0.883 94 T HN 0.415 nan 8.240 nan 0.000 0.493 95 Q N 0.997 120.808 119.800 0.018 0.000 2.230 95 Q HA 0.150 4.405 4.340 -0.143 0.000 0.202 95 Q C 0.887 176.899 176.000 0.021 0.000 0.963 95 Q CA 0.949 56.762 55.803 0.016 0.000 0.866 95 Q CB 0.097 28.842 28.738 0.011 0.000 0.931 95 Q HN 0.627 nan 8.270 nan 0.000 0.452 96 K N 0.365 120.780 120.400 0.025 0.000 2.834 96 K HA 0.259 4.493 4.320 -0.143 0.000 0.259 96 K C -1.325 175.300 176.600 0.041 0.000 1.158 96 K CA -0.103 56.202 56.287 0.030 0.000 1.068 96 K CB 0.344 32.862 32.500 0.030 0.000 1.324 96 K HN -0.030 nan 8.250 nan 0.000 0.552 97 L N 3.618 124.866 121.223 0.041 0.000 2.416 97 L HA 0.197 4.451 4.340 -0.143 0.000 0.272 97 L C 0.955 177.872 176.870 0.077 0.000 1.161 97 L CA -0.494 54.382 54.840 0.059 0.000 0.845 97 L CB 0.464 42.550 42.059 0.045 0.000 1.119 97 L HN 0.532 nan 8.230 nan 0.000 0.464 98 H N 4.959 124.051 119.070 0.037 0.000 2.871 98 H HA 0.015 4.485 4.556 -0.143 0.000 0.355 98 H C -1.776 173.611 175.328 0.098 0.000 1.092 98 H CA -1.063 55.027 56.048 0.071 0.000 1.420 98 H CB 1.603 31.406 29.762 0.068 0.000 1.400 98 H HN 0.365 nan 8.280 nan 0.000 0.604 99 P HA -0.197 nan 4.420 nan 0.000 0.217 99 P C 1.661 179.156 177.300 0.325 0.000 1.151 99 P CA 0.983 64.094 63.100 0.018 0.000 0.849 99 P CB 0.275 32.012 31.700 0.062 0.000 0.787 100 V N -0.619 119.642 119.914 0.579 0.000 2.343 100 V HA -0.278 3.757 4.120 -0.143 0.000 0.247 100 V C 2.443 178.788 176.094 0.419 0.000 1.051 100 V CA 1.847 64.465 62.300 0.530 0.000 1.036 100 V CB -1.188 30.825 31.823 0.317 0.000 0.654 100 V HN 0.196 nan 8.190 nan 0.000 0.451 101 Q N -0.322 119.654 119.800 0.293 0.000 2.084 101 Q HA -0.258 3.997 4.340 -0.143 0.000 0.202 101 Q C 2.357 178.399 176.000 0.071 0.000 0.978 101 Q CA 1.904 57.806 55.803 0.166 0.000 0.844 101 Q CB -0.215 28.599 28.738 0.127 0.000 0.898 101 Q HN 0.738 nan 8.270 nan 0.000 0.426 102 E N 1.037 121.251 120.200 0.024 0.000 2.058 102 E HA -0.223 4.041 4.350 -0.143 0.000 0.194 102 E C 1.983 178.417 176.600 -0.276 0.000 0.997 102 E CA 1.013 57.356 56.400 -0.096 0.000 0.801 102 E CB 0.137 29.773 29.700 -0.107 0.000 0.746 102 E HN 0.243 nan 8.360 nan 0.000 0.450 103 R N 0.181 120.472 120.500 -0.349 0.000 2.073 103 R HA -0.043 4.211 4.340 -0.143 0.000 0.229 103 R C 2.626 178.682 176.300 -0.408 0.000 1.120 103 R CA 1.238 56.920 56.100 -0.697 0.000 0.967 103 R CB -0.400 29.543 30.300 -0.595 0.000 0.862 103 R HN 0.320 nan 8.270 nan 0.000 0.436 104 I N 0.777 121.244 120.570 -0.170 0.000 2.315 104 I HA -0.214 3.871 4.170 -0.143 0.000 0.248 104 I C 2.244 178.205 176.117 -0.260 0.000 1.117 104 I CA 1.130 62.237 61.300 -0.321 0.000 1.404 104 I CB -0.069 37.826 38.000 -0.175 0.000 1.071 104 I HN 0.146 nan 8.210 nan 0.000 0.419 105 A N 0.932 123.649 122.820 -0.173 0.000 1.873 105 A HA -0.181 4.053 4.320 -0.143 0.000 0.215 105 A C 2.332 179.780 177.584 -0.227 0.000 1.186 105 A CA 1.419 53.372 52.037 -0.141 0.000 0.616 105 A CB -0.570 18.389 19.000 -0.068 0.000 0.823 105 A HN 0.410 nan 8.150 nan 0.000 0.442 106 R N 0.350 120.699 120.500 -0.252 0.000 2.189 106 R HA -0.050 4.204 4.340 -0.143 0.000 0.218 106 R C 2.001 177.975 176.300 -0.543 0.000 1.074 106 R CA 1.269 57.219 56.100 -0.250 0.000 0.991 106 R CB -0.252 30.062 30.300 0.024 0.000 0.883 106 R HN 0.665 nan 8.270 nan 0.000 0.457 107 S N -0.380 114.903 115.700 -0.696 0.000 2.593 107 S HA -0.021 4.364 4.470 -0.143 0.000 0.217 107 S C -0.038 174.257 174.600 -0.509 0.000 0.966 107 S CA -0.245 57.305 58.200 -1.083 0.000 0.914 107 S CB -0.151 62.286 63.200 -1.273 0.000 0.776 107 S HN 0.397 nan 8.310 nan 0.000 0.523 108 H N -0.806 118.159 119.070 -0.174 0.000 2.931 108 H HA -0.127 4.343 4.556 -0.144 0.000 0.290 108 H C 0.933 176.196 175.328 -0.109 0.000 1.264 108 H CA 0.547 56.546 56.048 -0.082 0.000 1.140 108 H CB -1.879 27.869 29.762 -0.024 0.000 1.343 108 H HN 0.606 nan 8.280 nan 0.000 0.403 109 G N -0.263 108.462 108.800 -0.126 0.000 3.042 109 G HA2 0.176 4.050 3.960 -0.143 0.000 0.212 109 G HA3 0.176 4.050 3.960 -0.143 0.000 0.212 109 G C 0.458 175.297 174.900 -0.102 0.000 1.166 109 G CA 0.756 45.765 45.100 -0.153 0.000 0.767 109 G HN 0.342 nan 8.290 nan 0.000 0.546 110 S N -0.649 115.008 115.700 -0.071 0.000 2.659 110 S HA 0.496 4.881 4.470 -0.143 0.000 0.312 110 S C 0.346 174.893 174.600 -0.089 0.000 1.114 110 S CA -0.632 57.528 58.200 -0.066 0.000 1.063 110 S CB 1.619 64.778 63.200 -0.069 0.000 0.996 110 S HN 0.340 nan 8.310 nan 0.000 0.478 111 Q N 1.777 121.541 119.800 -0.059 0.000 2.453 111 Q HA 0.090 4.344 4.340 -0.143 0.000 0.192 111 Q C 2.343 178.283 176.000 -0.101 0.000 0.965 111 Q CA 0.831 56.602 55.803 -0.054 0.000 0.836 111 Q CB -0.586 28.178 28.738 0.043 0.000 1.069 111 Q HN 0.963 nan 8.270 nan 0.000 0.594 112 C N -0.001 119.316 119.300 0.030 0.000 2.419 112 C HA 0.173 4.547 4.460 -0.143 0.000 0.281 112 C C 1.795 176.900 174.990 0.191 0.000 1.336 112 C CA 0.632 59.707 59.018 0.096 0.000 1.770 112 C CB -1.347 26.459 27.740 0.110 0.000 1.929 112 C HN 0.912 nan 8.230 nan 0.000 0.509 113 G N -0.857 108.026 108.800 0.138 0.000 2.199 113 G HA2 -0.347 3.527 3.960 -0.143 0.000 0.254 113 G HA3 -0.347 3.527 3.960 -0.143 0.000 0.254 113 G C 0.462 175.492 174.900 0.218 0.000 0.982 113 G CA 0.508 45.716 45.100 0.180 0.000 0.632 113 G HN 0.599 nan 8.290 nan 0.000 0.529 114 F N 1.486 121.416 119.950 -0.033 0.000 2.325 114 F HA 0.060 4.501 4.527 -0.144 0.000 0.299 114 F C 2.770 178.526 175.800 -0.073 0.000 1.090 114 F CA 2.066 59.916 58.000 -0.250 0.000 1.392 114 F CB -0.127 38.663 39.000 -0.349 0.000 1.053 114 F HN 0.575 nan 8.300 nan 0.000 0.521 115 C N -1.849 117.536 119.300 0.142 0.000 2.618 115 C HA 0.111 4.485 4.460 -0.143 0.000 0.264 115 C C 2.401 177.443 174.990 0.088 0.000 1.334 115 C CA 0.603 59.695 59.018 0.123 0.000 1.731 115 C CB -1.604 26.249 27.740 0.188 0.000 1.852 115 C HN 0.346 nan 8.230 nan 0.000 0.566 116 T N 2.939 117.530 114.554 0.062 0.000 2.674 116 T HA -0.066 4.198 4.350 -0.143 0.000 0.265 116 T C -0.309 174.436 174.700 0.075 0.000 1.039 116 T CA 2.343 64.487 62.100 0.074 0.000 1.150 116 T CB -1.324 67.580 68.868 0.059 0.000 0.864 116 T HN 0.413 nan 8.240 nan 0.000 0.427 117 P HA -0.046 nan 4.420 nan 0.000 0.215 117 P C 1.750 179.077 177.300 0.046 0.000 1.153 117 P CA 1.203 64.311 63.100 0.013 0.000 0.853 117 P CB -0.462 31.207 31.700 -0.052 0.000 0.788 118 G N -0.681 108.151 108.800 0.053 0.000 2.422 118 G HA2 -0.221 3.653 3.960 -0.143 0.000 0.218 118 G HA3 -0.221 3.653 3.960 -0.143 0.000 0.218 118 G C 1.527 176.541 174.900 0.190 0.000 1.146 118 G CA 0.491 45.655 45.100 0.105 0.000 0.769 118 G HN 0.232 nan 8.290 nan 0.000 0.547 119 I N 0.112 120.818 120.570 0.227 0.000 2.286 119 I HA -0.105 3.979 4.170 -0.143 0.000 0.245 119 I C 2.766 179.112 176.117 0.382 0.000 1.104 119 I CA 0.261 61.761 61.300 0.332 0.000 1.397 119 I CB -0.089 38.062 38.000 0.251 0.000 1.072 119 I HN 0.013 nan 8.210 nan 0.000 0.417 120 V N 0.704 120.787 119.914 0.281 0.000 2.282 120 V HA -0.331 3.703 4.120 -0.143 0.000 0.249 120 V C 2.509 178.690 176.094 0.146 0.000 1.057 120 V CA 1.696 64.136 62.300 0.234 0.000 1.032 120 V CB -0.473 31.437 31.823 0.146 0.000 0.645 120 V HN 0.383 nan 8.190 nan 0.000 0.447 121 M N -0.761 118.905 119.600 0.109 0.000 2.254 121 M HA -0.075 4.319 4.480 -0.143 0.000 0.265 121 M C 2.389 178.755 176.300 0.110 0.000 1.066 121 M CA 1.379 56.725 55.300 0.078 0.000 1.123 121 M CB -1.408 31.211 32.600 0.032 0.000 1.388 121 M HN 0.343 nan 8.290 nan 0.000 0.425 122 S N 0.807 116.599 115.700 0.154 0.000 2.356 122 S HA -0.152 4.232 4.470 -0.143 0.000 0.223 122 S C 1.874 176.439 174.600 -0.060 0.000 1.032 122 S CA 1.486 59.735 58.200 0.081 0.000 1.005 122 S CB -0.273 63.036 63.200 0.182 0.000 0.867 122 S HN 0.409 nan 8.310 nan 0.000 0.449 123 M N 0.502 120.127 119.600 0.041 0.000 2.132 123 M HA -0.046 4.348 4.480 -0.143 0.000 0.263 123 M C 1.774 177.901 176.300 -0.288 0.000 1.065 123 M CA 1.440 56.595 55.300 -0.241 0.000 1.122 123 M CB -0.710 31.589 32.600 -0.501 0.000 1.365 123 M HN 0.389 nan 8.290 nan 0.000 0.411 124 Y N 0.186 120.319 120.300 -0.278 0.000 2.128 124 Y HA -0.228 4.236 4.550 -0.143 0.000 0.284 124 Y C 2.027 177.764 175.900 -0.271 0.000 1.154 124 Y CA 2.520 60.430 58.100 -0.315 0.000 1.149 124 Y CB -0.778 37.495 38.460 -0.313 0.000 0.976 124 Y HN 0.277 nan 8.280 nan 0.000 0.505 125 T N 1.296 115.774 114.554 -0.127 0.000 2.746 125 T HA -0.193 4.071 4.350 -0.143 0.000 0.267 125 T C 1.784 176.338 174.700 -0.244 0.000 1.039 125 T CA 1.386 63.385 62.100 -0.169 0.000 1.142 125 T CB -0.655 68.188 68.868 -0.040 0.000 0.866 125 T HN 0.338 nan 8.240 nan 0.000 0.444 126 L N 1.167 122.235 121.223 -0.257 0.000 2.012 126 L HA -0.030 4.224 4.340 -0.143 0.000 0.210 126 L C 2.111 178.804 176.870 -0.294 0.000 1.073 126 L CA 1.709 56.391 54.840 -0.264 0.000 0.748 126 L CB -0.785 41.083 42.059 -0.318 0.000 0.891 126 L HN 0.253 nan 8.230 nan 0.000 0.431 127 L N -0.925 120.058 121.223 -0.400 0.000 2.141 127 L HA -0.142 4.112 4.340 -0.143 0.000 0.209 127 L C 2.680 179.323 176.870 -0.378 0.000 1.094 127 L CA 0.619 55.214 54.840 -0.409 0.000 0.763 127 L CB -0.617 41.131 42.059 -0.520 0.000 0.908 127 L HN 0.225 nan 8.230 nan 0.000 0.437 128 R N 0.072 120.278 120.500 -0.490 0.000 2.152 128 R HA -0.070 4.184 4.340 -0.143 0.000 0.232 128 R C 1.701 177.870 176.300 -0.218 0.000 1.117 128 R CA 0.905 56.735 56.100 -0.450 0.000 0.981 128 R CB -0.764 29.142 30.300 -0.657 0.000 0.870 128 R HN 0.517 nan 8.270 nan 0.000 0.451 129 N N 0.112 118.715 118.700 -0.163 0.000 2.402 129 N HA -0.064 4.590 4.740 -0.143 0.000 0.174 129 N C -0.043 175.415 175.510 -0.086 0.000 1.027 129 N CA 0.382 53.388 53.050 -0.074 0.000 0.891 129 N CB 0.409 38.861 38.487 -0.059 0.000 1.016 129 N HN 0.037 nan 8.380 nan 0.000 0.439 130 Q N 0.407 120.134 119.800 -0.122 0.000 2.878 130 Q HA 0.267 4.521 4.340 -0.143 0.000 0.232 130 Q C -2.444 173.488 176.000 -0.113 0.000 0.893 130 Q CA -1.477 54.267 55.803 -0.098 0.000 0.742 130 Q CB 1.794 30.477 28.738 -0.091 0.000 1.354 130 Q HN -0.077 nan 8.270 nan 0.000 0.466 131 P HA -0.064 nan 4.420 nan 0.000 0.226 131 P C -0.599 176.684 177.300 -0.028 0.000 1.153 131 P CA 0.843 63.894 63.100 -0.081 0.000 0.777 131 P CB 0.505 32.174 31.700 -0.052 0.000 0.794 132 E N 0.937 121.128 120.200 -0.014 0.000 3.037 132 E HA 0.243 4.507 4.350 -0.143 0.000 0.220 132 E C -2.380 174.228 176.600 0.014 0.000 1.142 132 E CA -1.980 54.434 56.400 0.024 0.000 0.888 132 E CB 1.254 30.973 29.700 0.031 0.000 1.329 132 E HN 0.329 nan 8.360 nan 0.000 0.409 133 P HA 0.032 nan 4.420 nan 0.000 0.276 133 P C 0.122 177.441 177.300 0.033 0.000 1.252 133 P CA -0.272 62.824 63.100 -0.006 0.000 0.802 133 P CB 0.916 32.590 31.700 -0.042 0.000 1.035 134 T N -2.747 111.820 114.554 0.022 0.000 2.874 134 T HA 0.169 4.433 4.350 -0.143 0.000 0.281 134 T C 1.534 176.273 174.700 0.064 0.000 0.994 134 T CA -0.677 61.449 62.100 0.043 0.000 1.015 134 T CB 0.061 68.945 68.868 0.026 0.000 1.028 134 T HN 0.083 nan 8.240 nan 0.000 0.523 135 V N 1.131 121.100 119.914 0.090 0.000 2.317 135 V HA -0.207 3.827 4.120 -0.143 0.000 0.251 135 V C 2.811 178.964 176.094 0.099 0.000 1.065 135 V CA 2.532 64.904 62.300 0.120 0.000 1.049 135 V CB -1.056 30.843 31.823 0.126 0.000 0.651 135 V HN 1.092 nan 8.190 nan 0.000 0.450 136 E N -0.087 120.152 120.200 0.067 0.000 2.077 136 E HA -0.262 4.002 4.350 -0.143 0.000 0.193 136 E C 2.196 178.800 176.600 0.008 0.000 0.989 136 E CA 1.604 58.032 56.400 0.047 0.000 0.800 136 E CB -0.111 29.607 29.700 0.029 0.000 0.746 136 E HN 0.709 nan 8.360 nan 0.000 0.452 137 E N 0.166 120.357 120.200 -0.015 0.000 2.110 137 E HA -0.168 4.096 4.350 -0.143 0.000 0.193 137 E C 2.140 178.666 176.600 -0.124 0.000 0.988 137 E CA 1.026 57.383 56.400 -0.071 0.000 0.804 137 E CB -0.037 29.620 29.700 -0.072 0.000 0.745 137 E HN 0.381 nan 8.360 nan 0.000 0.458 138 I N 1.042 121.575 120.570 -0.060 0.000 2.142 138 I HA -0.291 3.793 4.170 -0.143 0.000 0.240 138 I C 2.627 178.677 176.117 -0.111 0.000 1.078 138 I CA 1.284 62.541 61.300 -0.072 0.000 1.343 138 I CB -0.211 37.883 38.000 0.156 0.000 1.046 138 I HN 0.141 nan 8.210 nan 0.000 0.405 139 E N 0.998 121.232 120.200 0.056 0.000 2.110 139 E HA -0.269 3.995 4.350 -0.143 0.000 0.193 139 E C 1.792 178.358 176.600 -0.056 0.000 0.988 139 E CA 1.514 57.979 56.400 0.108 0.000 0.804 139 E CB -0.008 29.793 29.700 0.167 0.000 0.745 139 E HN 0.386 nan 8.360 nan 0.000 0.458 140 N N -0.203 118.431 118.700 -0.110 0.000 2.381 140 N HA -0.085 4.569 4.740 -0.143 0.000 0.182 140 N C 1.311 176.666 175.510 -0.258 0.000 1.025 140 N CA 0.951 53.917 53.050 -0.139 0.000 0.888 140 N CB -0.065 38.350 38.487 -0.120 0.000 0.965 140 N HN 0.232 nan 8.380 nan 0.000 0.438 141 A N -0.837 121.681 122.820 -0.503 0.000 2.121 141 A HA -0.012 4.222 4.320 -0.143 0.000 0.218 141 A C 0.899 178.062 177.584 -0.700 0.000 1.154 141 A CA 0.848 52.471 52.037 -0.690 0.000 0.679 141 A CB -0.441 17.927 19.000 -1.053 0.000 0.795 141 A HN 0.351 nan 8.150 nan 0.000 0.458 142 F N -0.999 118.805 119.950 -0.244 0.000 2.668 142 F HA 0.144 4.584 4.527 -0.146 0.000 0.301 142 F C 1.763 177.482 175.800 -0.135 0.000 1.106 142 F CA -0.456 57.340 58.000 -0.340 0.000 1.289 142 F CB 0.470 38.759 39.000 -1.186 0.000 1.006 142 F HN 0.079 nan 8.300 nan 0.000 0.535 143 Q N 0.483 120.317 119.800 0.056 0.000 2.226 143 Q HA -0.070 4.185 4.340 -0.143 0.000 0.204 143 Q C 2.085 178.186 176.000 0.169 0.000 0.975 143 Q CA 1.285 57.164 55.803 0.127 0.000 0.866 143 Q CB -0.403 28.390 28.738 0.092 0.000 0.915 143 Q HN 0.522 nan 8.270 nan 0.000 0.440 144 G N 0.731 109.628 108.800 0.162 0.000 3.314 144 G HA2 0.032 3.906 3.960 -0.143 0.000 0.238 144 G HA3 0.032 3.906 3.960 -0.143 0.000 0.238 144 G C 0.181 175.228 174.900 0.245 0.000 1.184 144 G CA -0.292 44.917 45.100 0.183 0.000 0.806 144 G HN 0.091 nan 8.290 nan 0.000 0.536 145 N N 0.430 119.331 118.700 0.336 0.000 2.346 145 N HA 0.449 5.104 4.740 -0.143 0.000 0.289 145 N C -1.161 174.669 175.510 0.533 0.000 1.027 145 N CA -0.360 52.947 53.050 0.428 0.000 0.864 145 N CB 2.573 41.364 38.487 0.506 0.000 1.370 145 N HN -0.039 nan 8.380 nan 0.000 0.481 146 L N 0.981 122.461 121.223 0.428 0.000 2.331 146 L HA 0.604 4.858 4.340 -0.143 0.000 0.275 146 L C -0.204 176.874 176.870 0.347 0.000 1.022 146 L CA -0.832 54.254 54.840 0.410 0.000 0.812 146 L CB 1.999 44.223 42.059 0.275 0.000 1.257 146 L HN 0.479 nan 8.230 nan 0.000 0.435 147 C N 2.164 121.581 119.300 0.195 0.000 2.482 147 C HA 0.520 4.894 4.460 -0.143 0.000 0.317 147 C C 0.880 175.760 174.990 -0.182 0.000 1.197 147 C CA -0.543 58.432 59.018 -0.071 0.000 1.432 147 C CB 1.754 29.265 27.740 -0.381 0.000 2.062 147 C HN 0.976 nan 8.230 nan 0.000 0.471 148 R N 2.377 122.887 120.500 0.016 0.000 2.290 148 R HA 0.292 4.547 4.340 -0.143 0.000 0.197 148 R C 1.313 177.610 176.300 -0.005 0.000 0.913 148 R CA 1.376 57.477 56.100 0.001 0.000 1.040 148 R CB -0.633 29.766 30.300 0.164 0.000 0.992 148 R HN 0.861 nan 8.270 nan 0.000 0.500 149 C N -1.393 117.952 119.300 0.075 0.000 2.513 149 C HA 0.156 4.530 4.460 -0.143 0.000 0.292 149 C C 2.236 177.234 174.990 0.013 0.000 1.359 149 C CA 0.875 59.995 59.018 0.169 0.000 1.778 149 C CB 0.021 27.869 27.740 0.180 0.000 2.180 149 C HN 0.644 nan 8.230 nan 0.000 0.509 150 T N -2.118 112.357 114.554 -0.131 0.000 3.054 150 T HA 0.278 4.543 4.350 -0.143 0.000 0.259 150 T C 1.641 176.270 174.700 -0.118 0.000 1.092 150 T CA 1.394 63.423 62.100 -0.119 0.000 1.121 150 T CB -0.236 68.536 68.868 -0.161 0.000 0.912 150 T HN 0.912 nan 8.240 nan 0.000 0.489 151 G N 0.627 109.287 108.800 -0.233 0.000 2.162 151 G HA2 -0.363 3.511 3.960 -0.143 0.000 0.260 151 G HA3 -0.363 3.511 3.960 -0.143 0.000 0.260 151 G C 0.603 175.547 174.900 0.073 0.000 0.976 151 G CA 0.506 45.593 45.100 -0.021 0.000 0.655 151 G HN 0.650 nan 8.290 nan 0.000 0.533 152 Y N -2.761 117.474 120.300 -0.108 0.000 3.035 152 Y HA -0.384 4.080 4.550 -0.143 0.000 0.474 152 Y C 2.343 178.232 175.900 -0.018 0.000 1.222 152 Y CA 2.322 60.263 58.100 -0.265 0.000 2.575 152 Y CB -1.499 36.691 38.460 -0.451 0.000 0.874 152 Y HN 0.441 nan 8.280 nan 0.000 0.516 153 R N 1.319 121.973 120.500 0.255 0.000 2.133 153 R HA -0.192 4.062 4.340 -0.143 0.000 0.245 153 R C -1.020 175.376 176.300 0.160 0.000 1.137 153 R CA 2.848 59.091 56.100 0.239 0.000 0.947 153 R CB -1.609 28.814 30.300 0.206 0.000 0.865 153 R HN 0.405 nan 8.270 nan 0.000 0.437 154 P HA -0.091 nan 4.420 nan 0.000 0.219 154 P C 1.727 178.996 177.300 -0.052 0.000 1.150 154 P CA 1.189 64.318 63.100 0.050 0.000 0.814 154 P CB -0.186 31.528 31.700 0.023 0.000 0.787 155 I N -0.497 120.037 120.570 -0.059 0.000 2.142 155 I HA -0.224 3.861 4.170 -0.143 0.000 0.240 155 I C 2.656 178.719 176.117 -0.091 0.000 1.078 155 I CA 1.367 62.541 61.300 -0.211 0.000 1.343 155 I CB -0.742 37.238 38.000 -0.033 0.000 1.046 155 I HN -0.149 nan 8.210 nan 0.000 0.405 156 L N -0.003 121.353 121.223 0.222 0.000 2.093 156 L HA -0.227 4.027 4.340 -0.143 0.000 0.208 156 L C 2.689 179.737 176.870 0.296 0.000 1.085 156 L CA 1.300 56.356 54.840 0.359 0.000 0.755 156 L CB -0.554 41.754 42.059 0.415 0.000 0.904 156 L HN 0.352 nan 8.230 nan 0.000 0.435 157 Q N 0.029 119.969 119.800 0.234 0.000 2.084 157 Q HA -0.164 4.091 4.340 -0.143 0.000 0.202 157 Q C 2.190 178.378 176.000 0.313 0.000 0.978 157 Q CA 1.671 57.644 55.803 0.284 0.000 0.844 157 Q CB -0.216 28.712 28.738 0.317 0.000 0.898 157 Q HN 0.516 nan 8.270 nan 0.000 0.426 158 G N -0.230 108.625 108.800 0.092 0.000 2.418 158 G HA2 -0.228 3.647 3.960 -0.143 0.000 0.217 158 G HA3 -0.228 3.647 3.960 -0.143 0.000 0.217 158 G C 0.905 175.947 174.900 0.238 0.000 1.158 158 G CA 0.542 45.625 45.100 -0.029 0.000 0.771 158 G HN 0.325 nan 8.290 nan 0.000 0.545 159 F N 0.393 120.473 119.950 0.216 0.000 2.615 159 F HA 0.272 4.713 4.527 -0.144 0.000 0.297 159 F C 2.414 178.415 175.800 0.335 0.000 1.124 159 F CA -0.283 57.931 58.000 0.358 0.000 1.451 159 F CB -0.344 38.930 39.000 0.457 0.000 1.103 159 F HN 0.091 nan 8.300 nan 0.000 0.569 160 R N 0.658 121.424 120.500 0.443 0.000 2.200 160 R HA -0.164 4.090 4.340 -0.143 0.000 0.234 160 R C 2.075 178.529 176.300 0.257 0.000 1.127 160 R CA 1.818 58.113 56.100 0.325 0.000 0.989 160 R CB -0.380 30.083 30.300 0.271 0.000 0.869 160 R HN 0.357 nan 8.270 nan 0.000 0.459 161 T N -2.368 112.318 114.554 0.220 0.000 2.977 161 T HA -0.123 4.141 4.350 -0.143 0.000 0.271 161 T C 1.438 176.145 174.700 0.011 0.000 1.105 161 T CA 1.001 63.164 62.100 0.105 0.000 1.116 161 T CB -0.360 68.599 68.868 0.152 0.000 0.878 161 T HN 0.273 nan 8.240 nan 0.000 0.509 162 F N 1.894 121.970 119.950 0.210 0.000 2.710 162 F HA 0.480 4.920 4.527 -0.144 0.000 0.298 162 F C 1.782 177.638 175.800 0.093 0.000 1.137 162 F CA -0.348 57.729 58.000 0.128 0.000 1.444 162 F CB -0.095 38.952 39.000 0.078 0.000 1.111 162 F HN 0.230 nan 8.300 nan 0.000 0.580 163 A N 0.712 123.691 122.820 0.266 0.000 2.401 163 A HA 0.130 4.364 4.320 -0.143 0.000 0.259 163 A C 1.495 179.158 177.584 0.131 0.000 1.103 163 A CA -0.474 51.672 52.037 0.182 0.000 0.789 163 A CB 0.492 19.593 19.000 0.168 0.000 1.035 163 A HN 0.291 nan 8.150 nan 0.000 0.491 164 K N 0.736 121.195 120.400 0.098 0.000 2.052 164 K HA -0.219 4.016 4.320 -0.143 0.000 0.215 164 K C 0.318 176.957 176.600 0.066 0.000 1.053 164 K CA 2.183 58.511 56.287 0.070 0.000 0.934 164 K CB -0.027 32.503 32.500 0.049 0.000 0.717 164 K HN 0.934 nan 8.250 nan 0.000 0.450 165 D N -0.871 119.571 120.400 0.070 0.000 2.738 165 D HA 0.125 4.679 4.640 -0.143 0.000 0.246 165 D C 0.377 176.724 176.300 0.078 0.000 1.270 165 D CA -0.394 53.645 54.000 0.064 0.000 0.833 165 D CB 0.057 40.889 40.800 0.054 0.000 1.040 165 D HN 0.188 nan 8.370 nan 0.000 0.487 192 P HA 0.575 nan 4.420 nan 0.000 0.297 192 P C -0.662 176.518 177.300 -0.200 0.000 1.303 192 P CA -0.536 62.355 63.100 -0.348 0.000 0.753 192 P CB 0.380 31.968 31.700 -0.186 0.000 1.281 193 S N -0.986 114.751 115.700 0.061 0.000 2.593 193 S HA 0.333 4.717 4.470 -0.143 0.000 0.297 193 S C 1.222 175.998 174.600 0.294 0.000 1.112 193 S CA -0.624 57.640 58.200 0.107 0.000 1.043 193 S CB 0.605 63.758 63.200 -0.078 0.000 1.054 193 S HN 0.301 nan 8.310 nan 0.000 0.516 194 L N 1.393 122.753 121.223 0.229 0.000 2.313 194 L HA 0.185 4.439 4.340 -0.143 0.000 0.214 194 L C -0.002 177.142 176.870 0.455 0.000 1.119 194 L CA 0.864 55.855 54.840 0.252 0.000 0.809 194 L CB -0.125 42.078 42.059 0.239 0.000 0.933 194 L HN 0.687 nan 8.230 nan 0.000 0.449 195 F N -3.707 116.343 119.950 0.167 0.000 2.745 195 F HA 0.480 4.920 4.527 -0.145 0.000 0.316 195 F C -0.863 174.921 175.800 -0.026 0.000 1.155 195 F CA -1.513 56.540 58.000 0.089 0.000 0.937 195 F CB 0.986 40.030 39.000 0.073 0.000 1.361 195 F HN -0.372 nan 8.300 nan 0.000 0.472 196 N N 1.963 120.682 118.700 0.032 0.000 2.626 196 N HA 0.459 5.114 4.740 -0.143 0.000 0.249 196 N C -2.190 173.042 175.510 -0.464 0.000 1.021 196 N CA -2.792 50.140 53.050 -0.196 0.000 0.886 196 N CB 1.510 39.941 38.487 -0.094 0.000 1.149 196 N HN 0.324 nan 8.380 nan 0.000 0.517 197 P HA -0.069 nan 4.420 nan 0.000 0.222 197 P C 0.376 177.297 177.300 -0.631 0.000 1.147 197 P CA 0.966 63.423 63.100 -1.072 0.000 0.790 197 P CB 0.579 32.038 31.700 -0.402 0.000 0.780 198 E N -0.280 119.718 120.200 -0.337 0.000 2.333 198 E HA -0.123 4.141 4.350 -0.143 0.000 0.198 198 E C 1.431 177.965 176.600 -0.111 0.000 1.007 198 E CA 0.813 57.113 56.400 -0.167 0.000 0.845 198 E CB -0.622 29.012 29.700 -0.111 0.000 0.766 198 E HN 0.285 nan 8.360 nan 0.000 0.507 199 D N -0.743 119.573 120.400 -0.141 0.000 2.349 199 D HA 0.039 4.593 4.640 -0.143 0.000 0.214 199 D C -0.370 176.034 176.300 0.172 0.000 1.063 199 D CA -0.044 53.960 54.000 0.007 0.000 0.847 199 D CB 0.213 41.036 40.800 0.037 0.000 0.933 199 D HN 0.160 nan 8.370 nan 0.000 0.513 200 F N 2.465 122.432 119.950 0.029 0.000 2.484 200 F HA 0.069 4.510 4.527 -0.144 0.000 0.360 200 F C 1.454 177.257 175.800 0.005 0.000 1.101 200 F CA -0.865 57.142 58.000 0.010 0.000 1.251 200 F CB 0.775 39.762 39.000 -0.021 0.000 1.132 200 F HN -0.274 nan 8.300 nan 0.000 0.570 201 K N 4.491 125.006 120.400 0.191 0.000 2.202 201 K HA 0.378 4.613 4.320 -0.143 0.000 0.264 201 K C -2.762 173.891 176.600 0.089 0.000 1.010 201 K CA -1.555 54.795 56.287 0.105 0.000 0.940 201 K CB 0.329 32.867 32.500 0.064 0.000 0.983 201 K HN 0.230 nan 8.250 nan 0.000 0.475 202 P HA 0.078 nan 4.420 nan 0.000 0.276 202 P C -0.809 176.528 177.300 0.061 0.000 1.244 202 P CA -0.712 62.434 63.100 0.077 0.000 0.801 202 P CB 0.604 32.341 31.700 0.063 0.000 1.006 203 L N 2.176 123.454 121.223 0.092 0.000 2.360 203 L HA 0.258 4.512 4.340 -0.143 0.000 0.276 203 L C 0.003 176.896 176.870 0.038 0.000 1.121 203 L CA 0.452 55.328 54.840 0.059 0.000 0.845 203 L CB -0.251 41.889 42.059 0.136 0.000 1.143 203 L HN 0.257 nan 8.230 nan 0.000 0.452 204 D N 6.461 126.872 120.400 0.018 0.000 2.464 204 D HA 0.365 4.919 4.640 -0.143 0.000 0.243 204 D C -1.899 174.419 176.300 0.029 0.000 1.104 204 D CA -2.095 51.920 54.000 0.025 0.000 0.883 204 D CB 1.592 42.406 40.800 0.023 0.000 1.050 204 D HN 0.318 nan 8.370 nan 0.000 0.524 205 P HA -0.140 nan 4.420 nan 0.000 0.220 205 P C 1.250 178.564 177.300 0.022 0.000 1.144 205 P CA 1.232 64.340 63.100 0.014 0.000 0.800 205 P CB 0.062 31.756 31.700 -0.010 0.000 0.772 206 T N -4.362 110.207 114.554 0.025 0.000 3.098 206 T HA -0.084 4.181 4.350 -0.143 0.000 0.266 206 T C 1.478 176.202 174.700 0.039 0.000 1.145 206 T CA 0.783 62.900 62.100 0.029 0.000 1.092 206 T CB -0.551 68.332 68.868 0.024 0.000 0.908 206 T HN 0.021 nan 8.240 nan 0.000 0.526 207 Q N 0.635 120.464 119.800 0.049 0.000 2.319 207 Q HA 0.260 4.514 4.340 -0.143 0.000 0.202 207 Q C 0.247 176.299 176.000 0.087 0.000 0.896 207 Q CA 0.148 55.987 55.803 0.059 0.000 0.942 207 Q CB 0.281 29.051 28.738 0.053 0.000 1.083 207 Q HN 0.653 nan 8.270 nan 0.000 0.510 208 E N 1.643 121.900 120.200 0.094 0.000 2.404 208 E HA 0.146 4.410 4.350 -0.143 0.000 0.261 208 E C -2.060 174.595 176.600 0.092 0.000 1.074 208 E CA -1.811 54.662 56.400 0.121 0.000 0.917 208 E CB -0.293 29.461 29.700 0.091 0.000 0.965 208 E HN 0.016 nan 8.360 nan 0.000 0.433 209 P HA 0.056 nan 4.420 nan 0.000 0.265 209 P C 0.266 177.612 177.300 0.077 0.000 1.193 209 P CA 0.022 63.163 63.100 0.069 0.000 0.765 209 P CB 0.360 32.095 31.700 0.058 0.000 0.823 210 I N 3.395 123.998 120.570 0.055 0.000 2.815 210 I HA -0.024 4.061 4.170 -0.143 0.000 0.291 210 I C 0.117 176.280 176.117 0.076 0.000 1.209 210 I CA -0.259 61.080 61.300 0.064 0.000 1.431 210 I CB 0.149 38.162 38.000 0.022 0.000 1.351 210 I HN 0.169 nan 8.210 nan 0.000 0.585 211 F N 9.591 129.539 119.950 -0.004 0.000 2.543 211 F HA 0.305 4.746 4.527 -0.143 0.000 0.375 211 F C -1.920 173.797 175.800 -0.138 0.000 1.075 211 F CA -2.109 55.870 58.000 -0.037 0.000 1.225 211 F CB -0.037 38.965 39.000 0.003 0.000 1.099 211 F HN 0.333 nan 8.300 nan 0.000 0.561 212 P HA 0.009 nan 4.420 nan 0.000 0.258 212 P C -2.148 174.772 177.300 -0.633 0.000 1.187 212 P CA -0.537 62.038 63.100 -0.876 0.000 0.767 212 P CB 0.413 31.118 31.700 -1.658 0.000 0.770 213 P HA -0.219 nan 4.420 nan 0.000 0.217 213 P C 1.144 178.332 177.300 -0.186 0.000 1.148 213 P CA 1.476 64.473 63.100 -0.172 0.000 0.828 213 P CB -0.101 31.541 31.700 -0.098 0.000 0.783 214 E N -0.327 119.736 120.200 -0.227 0.000 2.118 214 E HA -0.166 4.098 4.350 -0.143 0.000 0.195 214 E C 1.953 178.422 176.600 -0.218 0.000 0.992 214 E CA 0.955 57.260 56.400 -0.159 0.000 0.804 214 E CB -0.905 28.779 29.700 -0.027 0.000 0.741 214 E HN 0.307 nan 8.360 nan 0.000 0.458 215 L N 0.714 121.720 121.223 -0.361 0.000 2.141 215 L HA -0.144 4.110 4.340 -0.143 0.000 0.209 215 L C 2.482 179.313 176.870 -0.066 0.000 1.094 215 L CA 0.690 55.374 54.840 -0.261 0.000 0.763 215 L CB -0.345 41.483 42.059 -0.385 0.000 0.908 215 L HN 0.166 nan 8.230 nan 0.000 0.437 216 L N -0.659 120.547 121.223 -0.027 0.000 2.093 216 L HA -0.156 4.098 4.340 -0.143 0.000 0.208 216 L C 2.828 179.602 176.870 -0.161 0.000 1.085 216 L CA 1.099 55.892 54.840 -0.078 0.000 0.755 216 L CB -0.438 41.609 42.059 -0.020 0.000 0.904 216 L HN 0.216 nan 8.230 nan 0.000 0.435 217 R N 0.091 120.517 120.500 -0.124 0.000 2.096 217 R HA -0.116 4.138 4.340 -0.143 0.000 0.235 217 R C 2.165 178.398 176.300 -0.111 0.000 1.127 217 R CA 1.119 57.155 56.100 -0.107 0.000 0.968 217 R CB -0.360 29.893 30.300 -0.078 0.000 0.861 217 R HN 0.352 nan 8.270 nan 0.000 0.440 218 L N 1.167 122.312 121.223 -0.131 0.000 2.395 218 L HA -0.073 4.181 4.340 -0.143 0.000 0.218 218 L C 2.120 178.932 176.870 -0.098 0.000 1.130 218 L CA 0.801 55.569 54.840 -0.120 0.000 0.826 218 L CB -0.255 41.657 42.059 -0.245 0.000 0.941 218 L HN 0.126 nan 8.230 nan 0.000 0.451 219 K N -0.701 119.608 120.400 -0.151 0.000 2.442 219 K HA -0.128 4.106 4.320 -0.143 0.000 0.198 219 K C 1.034 177.550 176.600 -0.140 0.000 1.044 219 K CA 1.161 57.346 56.287 -0.171 0.000 0.948 219 K CB -0.156 32.061 32.500 -0.473 0.000 0.762 219 K HN 0.185 nan 8.250 nan 0.000 0.472 220 D N 1.369 121.696 120.400 -0.121 0.000 2.121 220 D HA -0.102 4.452 4.640 -0.143 0.000 0.209 220 D C 0.321 176.598 176.300 -0.039 0.000 0.981 220 D CA 1.689 55.641 54.000 -0.080 0.000 0.875 220 D CB -1.006 39.750 40.800 -0.073 0.000 1.016 220 D HN 0.436 nan 8.370 nan 0.000 0.452 221 T N 1.516 116.057 114.554 -0.022 0.000 2.903 221 T HA 0.058 4.322 4.350 -0.143 0.000 0.299 221 T C -2.484 172.223 174.700 0.012 0.000 1.041 221 T CA -1.083 61.021 62.100 0.005 0.000 1.138 221 T CB 0.410 69.294 68.868 0.026 0.000 1.040 221 T HN -0.202 nan 8.240 nan 0.000 0.524 222 P HA 0.175 nan 4.420 nan 0.000 0.272 222 P C -0.335 176.978 177.300 0.021 0.000 1.223 222 P CA -0.473 62.636 63.100 0.015 0.000 0.784 222 P CB 0.324 32.038 31.700 0.023 0.000 0.923 223 Q N 1.985 121.778 119.800 -0.011 0.000 2.286 223 Q HA 0.307 4.561 4.340 -0.143 0.000 0.257 223 Q C -0.053 176.006 176.000 0.100 0.000 0.941 223 Q CA -0.637 55.149 55.803 -0.028 0.000 0.912 223 Q CB 0.787 29.350 28.738 -0.291 0.000 1.192 223 Q HN 0.325 nan 8.270 nan 0.000 0.410 224 K N 2.067 122.561 120.400 0.156 0.000 2.208 224 K HA 0.357 4.591 4.320 -0.143 0.000 0.247 224 K C -0.768 175.965 176.600 0.222 0.000 0.953 224 K CA -0.968 55.413 56.287 0.157 0.000 0.837 224 K CB 1.984 34.540 32.500 0.093 0.000 1.131 224 K HN 0.609 nan 8.250 nan 0.000 0.431 225 K N 2.390 122.869 120.400 0.132 0.000 2.484 225 K HA 0.065 4.299 4.320 -0.143 0.000 0.280 225 K C -0.696 175.880 176.600 -0.041 0.000 1.013 225 K CA 0.008 56.329 56.287 0.056 0.000 1.029 225 K CB 0.253 32.757 32.500 0.007 0.000 0.902 225 K HN 0.533 nan 8.250 nan 0.000 0.481 226 L N 4.322 125.454 121.223 -0.153 0.000 2.342 226 L HA 0.549 4.803 4.340 -0.143 0.000 0.271 226 L C -0.079 176.491 176.870 -0.501 0.000 1.008 226 L CA -1.055 53.556 54.840 -0.382 0.000 0.818 226 L CB 1.933 43.658 42.059 -0.556 0.000 1.296 226 L HN 0.648 nan 8.230 nan 0.000 0.427 227 R N 1.846 121.979 120.500 -0.611 0.000 2.513 227 R HA 0.616 4.870 4.340 -0.143 0.000 0.301 227 R C -1.897 174.030 176.300 -0.621 0.000 0.968 227 R CA -0.419 55.401 56.100 -0.467 0.000 0.872 227 R CB 1.378 31.551 30.300 -0.212 0.000 1.177 227 R HN 0.424 nan 8.270 nan 0.000 0.444 228 F N 1.951 121.941 119.950 0.065 0.000 2.520 228 F HA 0.397 4.838 4.527 -0.143 0.000 0.322 228 F C -0.097 175.737 175.800 0.057 0.000 1.103 228 F CA -0.827 57.190 58.000 0.027 0.000 0.926 228 F CB 2.387 41.358 39.000 -0.048 0.000 1.154 228 F HN 0.340 nan 8.300 nan 0.000 0.453 229 E N 1.396 121.724 120.200 0.214 0.000 2.185 229 E HA 0.485 4.749 4.350 -0.143 0.000 0.261 229 E C -0.055 176.619 176.600 0.123 0.000 0.879 229 E CA -0.602 55.881 56.400 0.139 0.000 0.756 229 E CB 2.069 31.820 29.700 0.085 0.000 1.152 229 E HN 0.792 nan 8.360 nan 0.000 0.416 230 G N 1.382 110.251 108.800 0.115 0.000 2.702 230 G HA2 0.050 3.924 3.960 -0.143 0.000 0.254 230 G HA3 0.050 3.924 3.960 -0.143 0.000 0.254 230 G C 0.558 175.507 174.900 0.082 0.000 1.380 230 G CA -0.331 44.825 45.100 0.093 0.000 1.042 230 G HN 0.577 nan 8.290 nan 0.000 0.557 231 E N -0.835 119.413 120.200 0.080 0.000 2.110 231 E HA -0.086 4.178 4.350 -0.143 0.000 0.193 231 E C 2.069 178.710 176.600 0.068 0.000 0.988 231 E CA 1.015 57.462 56.400 0.079 0.000 0.804 231 E CB 0.077 29.837 29.700 0.100 0.000 0.745 231 E HN 0.435 nan 8.360 nan 0.000 0.458 232 R N -1.419 119.125 120.500 0.072 0.000 2.568 232 R HA 0.230 4.485 4.340 -0.143 0.000 0.254 232 R C -0.552 175.793 176.300 0.074 0.000 0.925 232 R CA -0.066 56.072 56.100 0.063 0.000 1.025 232 R CB 1.876 32.209 30.300 0.055 0.000 1.428 232 R HN -0.116 nan 8.270 nan 0.000 0.573 233 V N 1.361 121.333 119.914 0.098 0.000 2.735 233 V HA 0.383 4.417 4.120 -0.143 0.000 0.310 233 V C -0.337 175.844 176.094 0.145 0.000 1.061 233 V CA -0.650 61.726 62.300 0.127 0.000 0.913 233 V CB 2.303 34.226 31.823 0.167 0.000 1.005 233 V HN 0.009 nan 8.190 nan 0.000 0.428 234 T N 4.268 118.904 114.554 0.137 0.000 2.824 234 T HA 0.413 4.677 4.350 -0.143 0.000 0.280 234 T C -1.103 173.726 174.700 0.216 0.000 0.995 234 T CA -0.254 61.934 62.100 0.148 0.000 1.009 234 T CB 1.152 70.055 68.868 0.059 0.000 0.955 234 T HN 0.680 nan 8.240 nan 0.000 0.452 235 W N 5.340 126.673 121.300 0.055 0.000 2.532 235 W HA 0.605 5.179 4.660 -0.144 0.000 0.321 235 W C -1.993 174.506 176.519 -0.034 0.000 1.037 235 W CA -1.461 55.914 57.345 0.049 0.000 1.220 235 W CB 0.604 30.157 29.460 0.156 0.000 1.361 235 W HN 0.520 nan 8.180 nan 0.000 0.468 236 I N 5.221 125.738 120.570 -0.089 0.000 2.362 236 I HA 0.059 4.143 4.170 -0.143 0.000 0.289 236 I C -0.046 175.929 176.117 -0.237 0.000 0.994 236 I CA -0.720 60.505 61.300 -0.124 0.000 1.158 236 I CB 1.885 39.793 38.000 -0.153 0.000 1.315 236 I HN 0.280 nan 8.210 nan 0.000 0.451 237 Q N 5.591 125.322 119.800 -0.114 0.000 2.406 237 Q HA 0.489 4.743 4.340 -0.143 0.000 0.242 237 Q C -0.438 175.397 176.000 -0.276 0.000 1.036 237 Q CA -0.335 55.305 55.803 -0.272 0.000 0.904 237 Q CB 1.158 29.667 28.738 -0.382 0.000 1.244 237 Q HN 0.733 nan 8.270 nan 0.000 0.478 238 A N 2.780 125.467 122.820 -0.221 0.000 2.409 238 A HA 0.348 4.582 4.320 -0.143 0.000 0.262 238 A C 0.925 178.551 177.584 0.069 0.000 1.113 238 A CA 0.187 52.180 52.037 -0.074 0.000 0.790 238 A CB 0.427 19.379 19.000 -0.080 0.000 1.046 238 A HN 0.946 nan 8.150 nan 0.000 0.496 239 S N 1.367 117.167 115.700 0.166 0.000 2.458 239 S HA 0.111 4.495 4.470 -0.143 0.000 0.223 239 S C 0.836 175.546 174.600 0.182 0.000 1.019 239 S CA 0.897 59.274 58.200 0.295 0.000 0.937 239 S CB -0.396 62.964 63.200 0.267 0.000 0.788 239 S HN 1.350 nan 8.310 nan 0.000 0.511 240 T N -2.180 112.437 114.554 0.104 0.000 2.906 240 T HA 0.607 4.871 4.350 -0.143 0.000 0.295 240 T C 0.538 175.262 174.700 0.041 0.000 1.075 240 T CA -0.702 61.440 62.100 0.070 0.000 1.005 240 T CB 1.490 70.389 68.868 0.051 0.000 1.136 240 T HN -0.055 nan 8.240 nan 0.000 0.498 241 M N 0.903 120.521 119.600 0.030 0.000 2.108 241 M HA -0.006 4.389 4.480 -0.143 0.000 0.261 241 M C 2.120 178.423 176.300 0.006 0.000 1.066 241 M CA 1.910 57.218 55.300 0.012 0.000 1.107 241 M CB -1.018 31.587 32.600 0.008 0.000 1.356 241 M HN 0.907 nan 8.290 nan 0.000 0.406 242 E N -0.253 119.953 120.200 0.010 0.000 2.049 242 E HA -0.280 3.984 4.350 -0.143 0.000 0.198 242 E C 1.884 178.487 176.600 0.005 0.000 1.007 242 E CA 2.040 58.444 56.400 0.006 0.000 0.809 242 E CB -0.164 29.542 29.700 0.009 0.000 0.749 242 E HN 0.685 nan 8.360 nan 0.000 0.450 243 E N 0.121 120.326 120.200 0.009 0.000 2.077 243 E HA -0.212 4.052 4.350 -0.143 0.000 0.193 243 E C 2.147 178.742 176.600 -0.009 0.000 0.989 243 E CA 0.965 57.367 56.400 0.004 0.000 0.800 243 E CB -0.123 29.583 29.700 0.009 0.000 0.746 243 E HN 0.176 nan 8.360 nan 0.000 0.452 244 L N 0.918 122.133 121.223 -0.014 0.000 2.017 244 L HA -0.176 4.078 4.340 -0.143 0.000 0.208 244 L C 1.984 178.840 176.870 -0.023 0.000 1.073 244 L CA 1.663 56.485 54.840 -0.030 0.000 0.745 244 L CB -0.329 41.710 42.059 -0.034 0.000 0.894 244 L HN 0.126 nan 8.230 nan 0.000 0.432 245 L N -0.919 120.295 121.223 -0.015 0.000 2.093 245 L HA -0.180 4.074 4.340 -0.143 0.000 0.208 245 L C 2.228 179.092 176.870 -0.010 0.000 1.085 245 L CA 1.516 56.347 54.840 -0.015 0.000 0.755 245 L CB -0.741 41.311 42.059 -0.013 0.000 0.904 245 L HN 0.333 nan 8.230 nan 0.000 0.435 246 D N 0.210 120.607 120.400 -0.005 0.000 2.084 246 D HA -0.222 4.333 4.640 -0.143 0.000 0.194 246 D C 2.095 178.403 176.300 0.012 0.000 0.990 246 D CA 0.959 54.959 54.000 0.000 0.000 0.826 246 D CB 0.092 40.894 40.800 0.004 0.000 0.971 246 D HN 0.044 nan 8.370 nan 0.000 0.453 247 L N 0.804 122.039 121.223 0.020 0.000 2.013 247 L HA -0.176 4.078 4.340 -0.143 0.000 0.212 247 L C 1.842 178.742 176.870 0.051 0.000 1.073 247 L CA 1.801 56.672 54.840 0.051 0.000 0.753 247 L CB -0.373 41.691 42.059 0.009 0.000 0.890 247 L HN -0.080 nan 8.230 nan 0.000 0.432 248 K N -0.566 119.840 120.400 0.009 0.000 2.211 248 K HA 0.038 4.272 4.320 -0.143 0.000 0.203 248 K C 2.000 178.596 176.600 -0.006 0.000 1.050 248 K CA 1.111 57.399 56.287 0.001 0.000 0.945 248 K CB -0.395 32.093 32.500 -0.020 0.000 0.732 248 K HN 0.488 nan 8.250 nan 0.000 0.451 249 A N 1.125 123.936 122.820 -0.015 0.000 1.898 249 A HA -0.113 4.121 4.320 -0.143 0.000 0.214 249 A C 2.105 179.650 177.584 -0.065 0.000 1.183 249 A CA 0.881 52.898 52.037 -0.033 0.000 0.622 249 A CB -0.136 18.847 19.000 -0.029 0.000 0.824 249 A HN 0.176 nan 8.150 nan 0.000 0.444 250 Q N -0.265 119.488 119.800 -0.078 0.000 2.083 250 Q HA -0.053 4.202 4.340 -0.143 0.000 0.198 250 Q C -0.058 175.681 176.000 -0.435 0.000 0.969 250 Q CA 0.980 56.648 55.803 -0.224 0.000 0.838 250 Q CB -0.076 28.564 28.738 -0.164 0.000 0.900 250 Q HN 0.766 nan 8.270 nan 0.000 0.436 251 H N -0.231 118.829 119.070 -0.018 0.000 2.569 251 H HA 0.189 4.660 4.556 -0.143 0.000 0.247 251 H C -1.789 173.527 175.328 -0.019 0.000 1.346 251 H CA -1.660 54.379 56.048 -0.015 0.000 1.502 251 H CB 1.424 31.177 29.762 -0.016 0.000 1.512 251 H HN 0.049 nan 8.280 nan 0.000 0.502 252 P HA -0.115 nan 4.420 nan 0.000 0.226 252 P C 1.151 178.469 177.300 0.029 0.000 1.153 252 P CA 0.779 63.892 63.100 0.021 0.000 0.777 252 P CB 0.346 32.045 31.700 -0.002 0.000 0.794 253 D N 0.295 120.729 120.400 0.058 0.000 2.309 253 D HA -0.089 4.465 4.640 -0.143 0.000 0.212 253 D C 0.729 177.056 176.300 0.045 0.000 0.968 253 D CA 0.216 54.253 54.000 0.063 0.000 0.882 253 D CB -0.770 40.082 40.800 0.086 0.000 0.918 253 D HN 0.066 nan 8.370 nan 0.000 0.503 254 A N 0.877 123.715 122.820 0.030 0.000 2.545 254 A HA 0.085 4.319 4.320 -0.143 0.000 0.253 254 A C 0.333 177.872 177.584 -0.075 0.000 1.074 254 A CA -0.097 51.925 52.037 -0.025 0.000 0.760 254 A CB 0.133 19.111 19.000 -0.036 0.000 1.005 254 A HN 0.011 nan 8.150 nan 0.000 0.506 255 K N 2.792 123.121 120.400 -0.118 0.000 2.276 255 K HA 0.455 4.689 4.320 -0.143 0.000 0.285 255 K C -0.737 175.698 176.600 -0.276 0.000 1.062 255 K CA -0.345 55.800 56.287 -0.237 0.000 0.918 255 K CB 0.242 32.508 32.500 -0.390 0.000 1.055 255 K HN 0.484 nan 8.250 nan 0.000 0.477 256 L N 4.220 125.296 121.223 -0.245 0.000 2.416 256 L HA 0.285 4.539 4.340 -0.143 0.000 0.272 256 L C -0.508 176.197 176.870 -0.275 0.000 1.161 256 L CA 0.094 54.788 54.840 -0.245 0.000 0.845 256 L CB 1.214 43.171 42.059 -0.170 0.000 1.119 256 L HN 0.356 nan 8.230 nan 0.000 0.464 257 V N 4.691 124.413 119.914 -0.319 0.000 2.577 257 V HA 0.447 4.481 4.120 -0.143 0.000 0.303 257 V C 0.240 176.226 176.094 -0.181 0.000 1.042 257 V CA -0.404 61.745 62.300 -0.251 0.000 0.872 257 V CB 1.853 33.487 31.823 -0.315 0.000 0.998 257 V HN 0.620 nan 8.190 nan 0.000 0.423 258 V N 3.472 123.343 119.914 -0.072 0.000 3.669 258 V HA 0.287 4.321 4.120 -0.143 0.000 0.203 258 V C 2.045 178.163 176.094 0.040 0.000 1.149 258 V CA 1.204 63.489 62.300 -0.025 0.000 1.346 258 V CB -0.271 31.535 31.823 -0.028 0.000 1.510 258 V HN 0.843 nan 8.190 nan 0.000 0.506 259 G N -0.635 108.190 108.800 0.042 0.000 2.623 259 G HA2 -0.108 3.766 3.960 -0.143 0.000 0.214 259 G HA3 -0.108 3.766 3.960 -0.143 0.000 0.214 259 G C 0.792 175.756 174.900 0.106 0.000 1.138 259 G CA 0.900 46.045 45.100 0.075 0.000 0.794 259 G HN 0.642 nan 8.290 nan 0.000 0.535 260 N N -0.722 118.036 118.700 0.097 0.000 2.878 260 N HA -0.232 4.423 4.740 -0.143 0.000 0.247 260 N C 1.480 177.068 175.510 0.129 0.000 1.021 260 N CA 1.939 55.062 53.050 0.122 0.000 0.873 260 N CB -1.718 36.872 38.487 0.171 0.000 1.128 260 N HN 0.409 nan 8.380 nan 0.000 0.571 261 T N -3.963 110.664 114.554 0.121 0.000 3.085 261 T HA 0.034 4.299 4.350 -0.143 0.000 0.263 261 T C 1.356 176.135 174.700 0.132 0.000 1.127 261 T CA 1.422 63.603 62.100 0.136 0.000 1.103 261 T CB 0.170 69.124 68.868 0.144 0.000 0.921 261 T HN 0.390 nan 8.240 nan 0.000 0.510 262 E N 0.694 120.963 120.200 0.115 0.000 2.228 262 E HA 0.197 4.461 4.350 -0.143 0.000 0.197 262 E C 1.933 178.614 176.600 0.134 0.000 0.909 262 E CA 0.015 56.481 56.400 0.111 0.000 0.911 262 E CB -0.356 29.391 29.700 0.078 0.000 0.887 262 E HN 0.288 nan 8.360 nan 0.000 0.481 263 I N 1.482 122.116 120.570 0.106 0.000 2.264 263 I HA -0.101 3.983 4.170 -0.143 0.000 0.248 263 I C 2.273 178.520 176.117 0.217 0.000 1.111 263 I CA 1.688 63.068 61.300 0.133 0.000 1.382 263 I CB -1.564 36.447 38.000 0.018 0.000 1.060 263 I HN 0.332 nan 8.210 nan 0.000 0.418 264 G N 0.965 109.882 108.800 0.195 0.000 2.432 264 G HA2 -0.177 3.697 3.960 -0.143 0.000 0.219 264 G HA3 -0.177 3.697 3.960 -0.143 0.000 0.219 264 G C 1.611 176.664 174.900 0.256 0.000 1.135 264 G CA 0.264 45.490 45.100 0.210 0.000 0.767 264 G HN 0.218 nan 8.290 nan 0.000 0.550 265 I N 0.794 121.533 120.570 0.282 0.000 2.333 265 I HA -0.008 4.076 4.170 -0.143 0.000 0.246 265 I C 2.507 178.846 176.117 0.371 0.000 1.106 265 I CA 0.692 62.230 61.300 0.396 0.000 1.411 265 I CB -1.178 36.979 38.000 0.262 0.000 1.082 265 I HN 0.305 nan 8.210 nan 0.000 0.420 266 E N 0.594 120.966 120.200 0.287 0.000 2.097 266 E HA -0.248 4.016 4.350 -0.143 0.000 0.196 266 E C 2.298 179.034 176.600 0.228 0.000 1.000 266 E CA 1.534 58.100 56.400 0.278 0.000 0.804 266 E CB -0.127 29.784 29.700 0.351 0.000 0.740 266 E HN 0.435 nan 8.360 nan 0.000 0.454 267 M N 0.151 119.888 119.600 0.229 0.000 2.123 267 M HA -0.138 4.256 4.480 -0.143 0.000 0.263 267 M C 2.372 178.700 176.300 0.047 0.000 1.069 267 M CA 1.256 56.635 55.300 0.133 0.000 1.133 267 M CB -0.067 32.636 32.600 0.171 0.000 1.356 267 M HN -0.133 nan 8.290 nan 0.000 0.415 268 K N 0.230 120.638 120.400 0.013 0.000 2.116 268 K HA -0.017 4.218 4.320 -0.143 0.000 0.203 268 K C 1.124 177.457 176.600 -0.445 0.000 1.052 268 K CA 1.600 57.728 56.287 -0.265 0.000 0.952 268 K CB 0.007 32.257 32.500 -0.416 0.000 0.729 268 K HN 0.231 nan 8.250 nan 0.000 0.446 269 F N -0.469 119.542 119.950 0.103 0.000 2.727 269 F HA 0.319 4.761 4.527 -0.142 0.000 0.302 269 F C 1.124 176.981 175.800 0.095 0.000 1.107 269 F CA -0.015 58.046 58.000 0.101 0.000 1.277 269 F CB 0.599 39.666 39.000 0.113 0.000 1.079 269 F HN -0.181 nan 8.300 nan 0.000 0.594 270 K N 0.091 120.632 120.400 0.236 0.000 2.387 270 K HA 0.155 4.389 4.320 -0.143 0.000 0.203 270 K C -0.116 176.538 176.600 0.089 0.000 1.030 270 K CA -0.012 56.376 56.287 0.169 0.000 1.099 270 K CB 0.138 32.744 32.500 0.177 0.000 0.863 270 K HN 0.001 nan 8.250 nan 0.000 0.529 271 N N 1.286 120.020 118.700 0.058 0.000 2.708 271 N HA -0.214 4.440 4.740 -0.143 0.000 0.249 271 N C -0.583 174.898 175.510 -0.049 0.000 1.097 271 N CA 1.072 54.124 53.050 0.004 0.000 0.710 271 N CB -1.258 37.236 38.487 0.012 0.000 1.032 271 N HN 0.342 nan 8.380 nan 0.000 0.551 272 M N 0.659 120.211 119.600 -0.080 0.000 2.211 272 M HA 0.276 4.670 4.480 -0.143 0.000 0.356 272 M C 0.280 176.321 176.300 -0.432 0.000 1.216 272 M CA -0.139 54.988 55.300 -0.289 0.000 1.134 272 M CB 1.058 33.469 32.600 -0.315 0.000 1.564 272 M HN 0.150 nan 8.290 nan 0.000 0.463 273 L N 4.888 125.788 121.223 -0.539 0.000 2.372 273 L HA 0.541 4.796 4.340 -0.143 0.000 0.273 273 L C -1.841 174.737 176.870 -0.487 0.000 0.989 273 L CA 0.061 54.683 54.840 -0.363 0.000 0.841 273 L CB 0.754 42.725 42.059 -0.147 0.000 1.225 273 L HN 0.473 nan 8.230 nan 0.000 0.414 274 F N 6.937 126.913 119.950 0.044 0.000 2.313 274 F HA 0.471 4.912 4.527 -0.143 0.000 0.369 274 F C -1.310 174.510 175.800 0.033 0.000 1.109 274 F CA -1.493 56.526 58.000 0.031 0.000 1.132 274 F CB 0.831 39.844 39.000 0.022 0.000 1.291 274 F HN 0.454 nan 8.300 nan 0.000 0.496 275 P HA -0.028 nan 4.420 nan 0.000 0.236 275 P C -0.156 177.197 177.300 0.089 0.000 1.177 275 P CA 0.700 63.858 63.100 0.098 0.000 0.773 275 P CB 0.751 32.484 31.700 0.056 0.000 0.878 276 L N 0.312 121.586 121.223 0.085 0.000 2.372 276 L HA 0.481 4.736 4.340 -0.143 0.000 0.274 276 L C -0.894 175.974 176.870 -0.002 0.000 0.988 276 L CA -1.017 53.837 54.840 0.024 0.000 0.833 276 L CB 1.250 43.289 42.059 -0.034 0.000 1.236 276 L HN -0.262 nan 8.230 nan 0.000 0.410 277 I N 4.749 125.290 120.570 -0.049 0.000 2.493 277 I HA 0.547 4.631 4.170 -0.143 0.000 0.298 277 I C -0.826 175.060 176.117 -0.385 0.000 0.998 277 I CA -1.001 60.168 61.300 -0.218 0.000 1.137 277 I CB 2.214 40.073 38.000 -0.234 0.000 1.310 277 I HN 0.374 nan 8.210 nan 0.000 0.445 278 V N 6.405 126.056 119.914 -0.439 0.000 2.487 278 V HA 0.379 4.413 4.120 -0.143 0.000 0.298 278 V C -0.974 174.766 176.094 -0.591 0.000 1.028 278 V CA -0.422 61.592 62.300 -0.476 0.000 0.860 278 V CB 1.592 33.252 31.823 -0.272 0.000 0.991 278 V HN 0.911 nan 8.190 nan 0.000 0.427 279 C N 9.828 128.681 119.300 -0.745 0.000 2.239 279 C HA 0.688 5.062 4.460 -0.143 0.000 0.325 279 C C -1.413 173.380 174.990 -0.328 0.000 1.231 279 C CA -1.251 57.435 59.018 -0.552 0.000 1.652 279 C CB 1.136 28.543 27.740 -0.556 0.000 2.284 279 C HN 0.861 nan 8.230 nan 0.000 0.499 280 P HA 0.167 nan 4.420 nan 0.000 0.272 280 P C 0.936 178.217 177.300 -0.032 0.000 1.408 280 P CA 0.313 63.346 63.100 -0.111 0.000 0.996 280 P CB 0.199 31.847 31.700 -0.086 0.000 1.481 281 A N -0.404 122.389 122.820 -0.046 0.000 2.084 281 A HA -0.147 4.087 4.320 -0.143 0.000 0.221 281 A C 1.604 179.339 177.584 0.252 0.000 1.161 281 A CA 1.084 53.164 52.037 0.071 0.000 0.653 281 A CB -1.496 17.552 19.000 0.081 0.000 0.802 281 A HN 0.199 nan 8.150 nan 0.000 0.457 282 W N -0.218 121.117 121.300 0.059 0.000 2.678 282 W HA 0.258 4.832 4.660 -0.143 0.000 0.256 282 W C 0.442 176.985 176.519 0.041 0.000 1.280 282 W CA -0.752 56.633 57.345 0.066 0.000 1.345 282 W CB -0.684 28.828 29.460 0.087 0.000 1.118 282 W HN 0.111 nan 8.180 nan 0.000 0.629 283 I N 3.142 123.858 120.570 0.242 0.000 2.471 283 I HA -0.017 4.068 4.170 -0.143 0.000 0.286 283 I C -1.036 175.136 176.117 0.091 0.000 1.079 283 I CA -1.438 59.947 61.300 0.142 0.000 1.398 283 I CB 1.033 39.084 38.000 0.085 0.000 1.403 283 I HN -0.352 nan 8.210 nan 0.000 0.530 284 P HA -0.121 nan 4.420 nan 0.000 0.218 284 P C 1.014 178.325 177.300 0.019 0.000 1.149 284 P CA 1.067 64.191 63.100 0.039 0.000 0.817 284 P CB 0.255 31.972 31.700 0.028 0.000 0.785 285 E N -0.545 119.664 120.200 0.016 0.000 2.153 285 E HA -0.099 4.165 4.350 -0.143 0.000 0.194 285 E C 1.661 178.258 176.600 -0.006 0.000 0.988 285 E CA 0.838 57.237 56.400 -0.001 0.000 0.811 285 E CB -0.853 28.845 29.700 -0.004 0.000 0.746 285 E HN 0.243 nan 8.360 nan 0.000 0.466 286 L N 0.577 121.803 121.223 0.006 0.000 2.591 286 L HA 0.088 4.342 4.340 -0.143 0.000 0.228 286 L C 1.040 177.914 176.870 0.006 0.000 1.133 286 L CA 0.253 55.093 54.840 0.001 0.000 0.880 286 L CB 0.128 42.191 42.059 0.005 0.000 1.033 286 L HN 0.131 nan 8.230 nan 0.000 0.450 287 N N -1.019 117.686 118.700 0.009 0.000 2.170 287 N HA 0.070 4.725 4.740 -0.143 0.000 0.222 287 N C 0.255 175.762 175.510 -0.005 0.000 1.218 287 N CA 0.027 53.082 53.050 0.008 0.000 0.889 287 N CB 0.964 39.462 38.487 0.018 0.000 1.083 287 N HN 0.166 nan 8.380 nan 0.000 0.520 288 S N 0.069 115.755 115.700 -0.023 0.000 2.632 288 S HA 0.561 4.945 4.470 -0.143 0.000 0.271 288 S C 0.092 174.629 174.600 -0.105 0.000 1.260 288 S CA -0.450 57.719 58.200 -0.052 0.000 1.010 288 S CB 2.276 65.443 63.200 -0.055 0.000 0.965 288 S HN -0.147 nan 8.310 nan 0.000 0.534 289 V N 1.912 121.737 119.914 -0.149 0.000 2.525 289 V HA 0.590 4.624 4.120 -0.143 0.000 0.299 289 V C -0.492 175.449 176.094 -0.255 0.000 1.034 289 V CA -0.666 61.440 62.300 -0.323 0.000 0.863 289 V CB 1.400 33.039 31.823 -0.306 0.000 0.999 289 V HN 1.004 nan 8.190 nan 0.000 0.423 290 V N 1.559 121.270 119.914 -0.338 0.000 2.588 290 V HA 0.610 4.644 4.120 -0.143 0.000 0.304 290 V C -0.428 175.511 176.094 -0.258 0.000 1.042 290 V CA -0.593 61.605 62.300 -0.171 0.000 0.877 290 V CB 1.765 33.517 31.823 -0.120 0.000 0.996 290 V HN 0.856 nan 8.190 nan 0.000 0.425 291 H N 3.838 122.826 119.070 -0.137 0.000 2.723 291 H HA 0.607 5.077 4.556 -0.143 0.000 0.294 291 H C 0.528 175.845 175.328 -0.018 0.000 1.079 291 H CA 0.360 56.368 56.048 -0.067 0.000 1.411 291 H CB 1.872 31.627 29.762 -0.013 0.000 1.439 291 H HN 1.056 nan 8.280 nan 0.000 0.474 292 G N 2.921 111.758 108.800 0.062 0.000 2.667 292 G HA2 0.191 4.065 3.960 -0.143 0.000 0.310 292 G HA3 0.191 4.065 3.960 -0.143 0.000 0.310 292 G C -1.414 173.581 174.900 0.158 0.000 1.259 292 G CA -1.301 43.838 45.100 0.066 0.000 1.019 292 G HN 0.300 nan 8.290 nan 0.000 0.496 293 P HA -0.043 nan 4.420 nan 0.000 0.218 293 P C 0.741 178.168 177.300 0.212 0.000 1.149 293 P CA 1.078 64.255 63.100 0.128 0.000 0.817 293 P CB 0.452 32.184 31.700 0.054 0.000 0.785 294 E N -0.381 119.908 120.200 0.149 0.000 2.472 294 E HA 0.309 4.573 4.350 -0.143 0.000 0.196 294 E C 1.348 177.954 176.600 0.009 0.000 1.033 294 E CA 0.437 56.913 56.400 0.127 0.000 0.886 294 E CB 0.661 30.374 29.700 0.021 0.000 0.944 294 E HN 0.302 nan 8.360 nan 0.000 0.492 295 G N 0.628 109.336 108.800 -0.155 0.000 2.323 295 G HA2 0.337 4.211 3.960 -0.143 0.000 0.291 295 G HA3 0.337 4.211 3.960 -0.143 0.000 0.291 295 G C -1.640 173.012 174.900 -0.413 0.000 1.278 295 G CA -0.995 43.746 45.100 -0.598 0.000 0.860 295 G HN 0.002 nan 8.290 nan 0.000 0.504 296 I N 1.199 121.526 120.570 -0.406 0.000 2.389 296 I HA 0.447 4.532 4.170 -0.143 0.000 0.288 296 I C 0.040 175.824 176.117 -0.555 0.000 0.999 296 I CA -0.585 60.379 61.300 -0.561 0.000 1.129 296 I CB 2.023 39.565 38.000 -0.764 0.000 1.288 296 I HN 0.282 nan 8.210 nan 0.000 0.444 297 S N 5.914 121.281 115.700 -0.555 0.000 2.457 297 S HA 0.550 4.934 4.470 -0.143 0.000 0.289 297 S C -0.636 173.607 174.600 -0.595 0.000 1.163 297 S CA -0.357 57.595 58.200 -0.413 0.000 1.078 297 S CB 0.371 63.414 63.200 -0.261 0.000 0.987 297 S HN 0.240 nan 8.310 nan 0.000 0.482 298 F N 1.772 121.589 119.950 -0.221 0.000 2.427 298 F HA 0.476 4.918 4.527 -0.142 0.000 0.346 298 F C 1.228 176.933 175.800 -0.157 0.000 1.120 298 F CA -0.669 57.216 58.000 -0.192 0.000 1.033 298 F CB 1.039 39.915 39.000 -0.208 0.000 1.126 298 F HN 0.651 nan 8.300 nan 0.000 0.462 299 G N 1.162 109.974 108.800 0.021 0.000 2.562 299 G HA2 0.268 4.142 3.960 -0.143 0.000 0.233 299 G HA3 0.268 4.142 3.960 -0.143 0.000 0.233 299 G C 0.831 175.738 174.900 0.012 0.000 1.266 299 G CA 0.046 45.146 45.100 0.000 0.000 0.852 299 G HN 0.943 nan 8.290 nan 0.000 0.581 300 A N 1.018 123.828 122.820 -0.016 0.000 2.067 300 A HA 0.080 4.315 4.320 -0.143 0.000 0.219 300 A C 2.320 179.890 177.584 -0.024 0.000 1.158 300 A CA 1.723 53.745 52.037 -0.026 0.000 0.661 300 A CB -0.038 18.944 19.000 -0.029 0.000 0.801 300 A HN 0.540 nan 8.150 nan 0.000 0.452 301 S N -0.940 114.750 115.700 -0.016 0.000 2.605 301 S HA 0.088 4.472 4.470 -0.143 0.000 0.217 301 S C 0.394 174.976 174.600 -0.029 0.000 0.958 301 S CA -0.417 57.771 58.200 -0.019 0.000 0.919 301 S CB -0.635 62.561 63.200 -0.006 0.000 0.780 301 S HN 0.553 nan 8.310 nan 0.000 0.507 302 C N 4.930 124.214 119.300 -0.027 0.000 2.634 302 C HA 0.223 4.597 4.460 -0.143 0.000 0.418 302 C C -1.797 173.127 174.990 -0.110 0.000 1.373 302 C CA -1.362 57.630 59.018 -0.043 0.000 1.756 302 C CB -0.204 27.547 27.740 0.019 0.000 2.589 302 C HN 0.339 nan 8.230 nan 0.000 0.602 303 P HA 0.117 nan 4.420 nan 0.000 0.274 303 P C 0.593 177.752 177.300 -0.235 0.000 1.231 303 P CA -0.009 62.984 63.100 -0.179 0.000 0.790 303 P CB 0.521 32.094 31.700 -0.211 0.000 0.951 304 L N 1.247 122.307 121.223 -0.273 0.000 2.127 304 L HA -0.210 4.044 4.340 -0.143 0.000 0.211 304 L C 2.575 179.257 176.870 -0.313 0.000 1.089 304 L CA 2.127 56.751 54.840 -0.360 0.000 0.757 304 L CB -1.067 40.683 42.059 -0.515 0.000 0.899 304 L HN 0.461 nan 8.230 nan 0.000 0.434 305 S N 0.246 115.798 115.700 -0.248 0.000 2.400 305 S HA -0.212 4.172 4.470 -0.143 0.000 0.232 305 S C 1.869 176.357 174.600 -0.186 0.000 1.025 305 S CA 1.241 59.320 58.200 -0.201 0.000 0.993 305 S CB -0.501 62.597 63.200 -0.170 0.000 0.808 305 S HN 0.359 nan 8.310 nan 0.000 0.478 306 L N 1.488 122.597 121.223 -0.190 0.000 2.162 306 L HA 0.244 4.498 4.340 -0.143 0.000 0.205 306 L C 2.371 179.154 176.870 -0.145 0.000 1.086 306 L CA 1.023 55.783 54.840 -0.132 0.000 0.778 306 L CB -0.647 41.355 42.059 -0.095 0.000 0.928 306 L HN 0.189 nan 8.230 nan 0.000 0.446 307 V N 0.163 119.884 119.914 -0.322 0.000 2.255 307 V HA -0.320 3.714 4.120 -0.143 0.000 0.247 307 V C 2.511 178.403 176.094 -0.338 0.000 1.051 307 V CA 2.205 64.157 62.300 -0.580 0.000 1.018 307 V CB -0.761 30.583 31.823 -0.798 0.000 0.641 307 V HN 0.495 nan 8.190 nan 0.000 0.445 308 E N 0.802 120.836 120.200 -0.276 0.000 2.070 308 E HA -0.244 4.020 4.350 -0.143 0.000 0.197 308 E C 2.392 178.908 176.600 -0.139 0.000 1.004 308 E CA 1.960 58.239 56.400 -0.201 0.000 0.805 308 E CB -0.302 29.284 29.700 -0.190 0.000 0.744 308 E HN 0.779 nan 8.360 nan 0.000 0.451 309 S N 0.437 116.068 115.700 -0.115 0.000 2.383 309 S HA -0.102 4.282 4.470 -0.143 0.000 0.227 309 S C 2.237 176.809 174.600 -0.045 0.000 1.026 309 S CA 0.966 59.121 58.200 -0.075 0.000 0.981 309 S CB -0.487 62.672 63.200 -0.067 0.000 0.818 309 S HN 0.045 nan 8.310 nan 0.000 0.472 310 V N 2.525 122.425 119.914 -0.022 0.000 2.261 310 V HA -0.109 3.926 4.120 -0.143 0.000 0.246 310 V C 2.616 178.688 176.094 -0.036 0.000 1.047 310 V CA 1.892 64.206 62.300 0.022 0.000 1.015 310 V CB -0.892 31.025 31.823 0.155 0.000 0.642 310 V HN 0.470 nan 8.190 nan 0.000 0.446 311 L N 0.067 121.226 121.223 -0.106 0.000 2.131 311 L HA -0.130 4.125 4.340 -0.143 0.000 0.210 311 L C 2.725 179.550 176.870 -0.075 0.000 1.092 311 L CA 1.398 56.113 54.840 -0.208 0.000 0.759 311 L CB -0.877 41.011 42.059 -0.285 0.000 0.903 311 L HN 0.370 nan 8.230 nan 0.000 0.435 312 A N -0.005 122.780 122.820 -0.058 0.000 1.902 312 A HA -0.226 4.008 4.320 -0.143 0.000 0.217 312 A C 2.206 179.793 177.584 0.005 0.000 1.181 312 A CA 1.624 53.646 52.037 -0.025 0.000 0.623 312 A CB -0.428 18.545 19.000 -0.045 0.000 0.818 312 A HN 0.415 nan 8.150 nan 0.000 0.443 313 E N -0.555 119.646 120.200 0.003 0.000 2.085 313 E HA -0.194 4.071 4.350 -0.143 0.000 0.194 313 E C 2.038 178.673 176.600 0.058 0.000 0.994 313 E CA 1.240 57.653 56.400 0.021 0.000 0.801 313 E CB -0.070 29.642 29.700 0.021 0.000 0.743 313 E HN 0.539 nan 8.360 nan 0.000 0.453 314 E N 0.421 120.673 120.200 0.086 0.000 2.072 314 E HA -0.147 4.118 4.350 -0.143 0.000 0.191 314 E C 2.177 178.899 176.600 0.203 0.000 0.985 314 E CA 0.695 57.203 56.400 0.180 0.000 0.801 314 E CB -0.187 29.669 29.700 0.260 0.000 0.750 314 E HN 0.359 nan 8.360 nan 0.000 0.452 315 I N 1.122 121.801 120.570 0.182 0.000 2.286 315 I HA -0.240 3.844 4.170 -0.143 0.000 0.248 315 I C 2.387 178.560 176.117 0.093 0.000 1.115 315 I CA 1.065 62.462 61.300 0.161 0.000 1.392 315 I CB -0.221 37.856 38.000 0.130 0.000 1.065 315 I HN -0.006 nan 8.210 nan 0.000 0.418 316 A N 1.329 124.189 122.820 0.066 0.000 1.968 316 A HA -0.190 4.044 4.320 -0.143 0.000 0.217 316 A C 2.284 179.891 177.584 0.037 0.000 1.169 316 A CA 1.749 53.810 52.037 0.040 0.000 0.638 316 A CB -0.331 18.682 19.000 0.023 0.000 0.812 316 A HN 0.549 nan 8.150 nan 0.000 0.446 317 K N -1.145 119.284 120.400 0.048 0.000 2.348 317 K HA 0.332 4.566 4.320 -0.143 0.000 0.194 317 K C 0.259 176.881 176.600 0.035 0.000 1.052 317 K CA -0.175 56.132 56.287 0.034 0.000 1.004 317 K CB -0.158 32.356 32.500 0.024 0.000 0.873 317 K HN 0.357 nan 8.250 nan 0.000 0.523 318 L N 2.594 123.854 121.223 0.062 0.000 2.421 318 L HA 0.368 4.622 4.340 -0.143 0.000 0.263 318 L C -2.134 174.749 176.870 0.022 0.000 1.122 318 L CA -2.594 52.270 54.840 0.040 0.000 0.804 318 L CB 0.359 42.463 42.059 0.075 0.000 1.150 318 L HN -0.053 nan 8.230 nan 0.000 0.457 319 P HA -0.018 nan 4.420 nan 0.000 0.268 319 P C 0.405 177.706 177.300 0.003 0.000 1.205 319 P CA -0.097 62.998 63.100 -0.009 0.000 0.771 319 P CB 0.567 32.248 31.700 -0.030 0.000 0.858 320 E N 2.037 122.247 120.200 0.016 0.000 2.114 320 E HA -0.363 3.901 4.350 -0.143 0.000 0.199 320 E C 1.540 178.159 176.600 0.032 0.000 1.008 320 E CA 1.359 57.777 56.400 0.030 0.000 0.810 320 E CB -0.058 29.663 29.700 0.034 0.000 0.739 320 E HN 0.319 nan 8.360 nan 0.000 0.456 321 Q N 0.728 120.543 119.800 0.025 0.000 2.297 321 Q HA -0.137 4.117 4.340 -0.143 0.000 0.208 321 Q C 1.300 177.284 176.000 -0.027 0.000 0.981 321 Q CA 1.678 57.496 55.803 0.025 0.000 0.876 321 Q CB 0.112 28.858 28.738 0.014 0.000 0.921 321 Q HN 0.247 nan 8.270 nan 0.000 0.446 322 K N -1.334 119.031 120.400 -0.059 0.000 2.379 322 K HA 0.075 4.309 4.320 -0.143 0.000 0.194 322 K C 0.911 177.406 176.600 -0.175 0.000 1.031 322 K CA 1.045 57.269 56.287 -0.106 0.000 1.037 322 K CB 0.605 33.002 32.500 -0.172 0.000 0.824 322 K HN 0.253 nan 8.250 nan 0.000 0.516 323 T N -1.762 112.715 114.554 -0.129 0.000 3.214 323 T HA 0.201 4.465 4.350 -0.143 0.000 0.264 323 T C 0.958 175.594 174.700 -0.107 0.000 1.012 323 T CA -0.365 61.618 62.100 -0.194 0.000 0.901 323 T CB 0.322 69.219 68.868 0.048 0.000 1.070 323 T HN -0.068 nan 8.240 nan 0.000 0.561 324 E N 1.183 121.332 120.200 -0.084 0.000 2.072 324 E HA -0.059 4.206 4.350 -0.143 0.000 0.191 324 E C 2.112 178.676 176.600 -0.060 0.000 0.985 324 E CA 0.933 57.354 56.400 0.035 0.000 0.801 324 E CB -0.126 29.664 29.700 0.151 0.000 0.750 324 E HN 0.455 nan 8.360 nan 0.000 0.452 325 V N 1.212 120.951 119.914 -0.292 0.000 2.453 325 V HA -0.194 3.840 4.120 -0.143 0.000 0.247 325 V C 2.151 178.135 176.094 -0.183 0.000 1.048 325 V CA 1.205 63.152 62.300 -0.587 0.000 1.049 325 V CB -0.582 30.891 31.823 -0.582 0.000 0.672 325 V HN 0.084 nan 8.190 nan 0.000 0.457 326 F N 1.107 120.957 119.950 -0.167 0.000 2.095 326 F HA -0.141 4.299 4.527 -0.144 0.000 0.298 326 F C 2.566 178.315 175.800 -0.086 0.000 1.104 326 F CA 1.234 59.174 58.000 -0.099 0.000 1.232 326 F CB -1.200 37.781 39.000 -0.031 0.000 0.987 326 F HN 0.105 nan 8.300 nan 0.000 0.475 327 R N -0.169 120.417 120.500 0.143 0.000 2.096 327 R HA -0.102 4.152 4.340 -0.143 0.000 0.235 327 R C 2.565 178.891 176.300 0.043 0.000 1.127 327 R CA 1.110 57.257 56.100 0.077 0.000 0.968 327 R CB -1.051 29.295 30.300 0.077 0.000 0.861 327 R HN 0.388 nan 8.270 nan 0.000 0.440 328 G N 0.329 109.159 108.800 0.050 0.000 2.402 328 G HA2 -0.197 3.678 3.960 -0.143 0.000 0.216 328 G HA3 -0.197 3.678 3.960 -0.143 0.000 0.216 328 G C 1.446 176.345 174.900 -0.001 0.000 1.162 328 G CA 0.628 45.791 45.100 0.105 0.000 0.777 328 G HN 0.119 nan 8.290 nan 0.000 0.539 329 V N 1.377 121.255 119.914 -0.061 0.000 2.295 329 V HA -0.182 3.852 4.120 -0.143 0.000 0.246 329 V C 2.964 179.001 176.094 -0.094 0.000 1.049 329 V CA 1.731 63.974 62.300 -0.096 0.000 1.024 329 V CB -0.386 31.394 31.823 -0.073 0.000 0.648 329 V HN 0.265 nan 8.190 nan 0.000 0.447 330 M N -0.252 119.305 119.600 -0.072 0.000 2.159 330 M HA -0.171 4.223 4.480 -0.143 0.000 0.263 330 M C 2.234 178.468 176.300 -0.110 0.000 1.063 330 M CA 1.787 57.029 55.300 -0.097 0.000 1.110 330 M CB -1.148 31.410 32.600 -0.069 0.000 1.374 330 M HN 0.453 nan 8.290 nan 0.000 0.411 331 E N 0.303 120.462 120.200 -0.068 0.000 2.150 331 E HA -0.162 4.103 4.350 -0.143 0.000 0.193 331 E C 2.020 178.602 176.600 -0.030 0.000 0.985 331 E CA 1.224 57.589 56.400 -0.058 0.000 0.814 331 E CB 0.075 29.767 29.700 -0.013 0.000 0.752 331 E HN 0.361 nan 8.360 nan 0.000 0.466 332 Q N -0.113 119.680 119.800 -0.013 0.000 2.083 332 Q HA -0.013 4.241 4.340 -0.143 0.000 0.198 332 Q C 2.406 178.454 176.000 0.079 0.000 0.969 332 Q CA 0.897 56.738 55.803 0.063 0.000 0.838 332 Q CB -0.199 28.549 28.738 0.016 0.000 0.900 332 Q HN 0.390 nan 8.270 nan 0.000 0.436 333 L N 0.299 121.504 121.223 -0.031 0.000 2.191 333 L HA -0.148 4.106 4.340 -0.143 0.000 0.212 333 L C 2.503 179.302 176.870 -0.120 0.000 1.103 333 L CA 0.792 55.590 54.840 -0.071 0.000 0.769 333 L CB -0.360 41.579 42.059 -0.201 0.000 0.908 333 L HN 0.172 nan 8.230 nan 0.000 0.438 334 R N -0.457 119.861 120.500 -0.304 0.000 2.133 334 R HA -0.216 4.039 4.340 -0.143 0.000 0.247 334 R C 1.070 177.019 176.300 -0.585 0.000 1.151 334 R CA 2.147 57.854 56.100 -0.655 0.000 0.971 334 R CB -0.288 29.245 30.300 -1.278 0.000 0.866 334 R HN 0.451 nan 8.270 nan 0.000 0.447 335 W N -1.226 120.104 121.300 0.051 0.000 2.926 335 W HA 0.249 4.822 4.660 -0.144 0.000 0.419 335 W C -0.357 176.205 176.519 0.071 0.000 0.993 335 W CA -1.076 56.286 57.345 0.028 0.000 2.025 335 W CB 0.308 29.758 29.460 -0.017 0.000 1.152 335 W HN -0.115 nan 8.180 nan 0.000 0.659 336 F N 1.805 121.804 119.950 0.081 0.000 2.303 336 F HA 0.618 5.058 4.527 -0.144 0.000 0.368 336 F C 1.048 176.869 175.800 0.036 0.000 1.105 336 F CA -0.252 57.774 58.000 0.044 0.000 1.153 336 F CB -0.140 38.851 39.000 -0.015 0.000 1.362 336 F HN 0.073 nan 8.300 nan 0.000 0.511 337 A N 3.608 126.554 122.820 0.208 0.000 5.483 337 A HA -0.012 4.222 4.320 -0.143 0.000 0.309 337 A C 0.682 178.373 177.584 0.178 0.000 1.898 337 A CA 0.972 53.123 52.037 0.190 0.000 0.716 337 A CB -1.911 17.237 19.000 0.246 0.000 1.309 337 A HN 1.465 nan 8.150 nan 0.000 0.380 338 G N -3.594 105.301 108.800 0.157 0.000 2.911 338 G HA2 0.539 4.413 3.960 -0.143 0.000 0.299 338 G HA3 0.539 4.413 3.960 -0.143 0.000 0.299 338 G C 0.225 175.166 174.900 0.069 0.000 1.283 338 G CA 0.508 45.667 45.100 0.099 0.000 0.805 338 G HN 0.669 nan 8.290 nan 0.000 0.548 339 K N -0.389 120.029 120.400 0.030 0.000 2.097 339 K HA -0.050 4.184 4.320 -0.143 0.000 0.205 339 K C 2.530 179.165 176.600 0.057 0.000 1.050 339 K CA 1.234 57.526 56.287 0.010 0.000 0.938 339 K CB -0.258 32.227 32.500 -0.025 0.000 0.718 339 K HN 0.432 nan 8.250 nan 0.000 0.442 340 Q N 0.428 120.282 119.800 0.089 0.000 2.050 340 Q HA -0.078 4.176 4.340 -0.143 0.000 0.202 340 Q C 2.228 178.305 176.000 0.127 0.000 0.980 340 Q CA 1.151 57.028 55.803 0.124 0.000 0.840 340 Q CB -0.389 28.427 28.738 0.130 0.000 0.898 340 Q HN -0.003 nan 8.270 nan 0.000 0.424 341 V N 0.823 120.813 119.914 0.127 0.000 2.323 341 V HA -0.213 3.822 4.120 -0.143 0.000 0.244 341 V C 1.842 177.988 176.094 0.086 0.000 1.041 341 V CA 1.687 64.071 62.300 0.140 0.000 1.025 341 V CB -0.357 31.584 31.823 0.197 0.000 0.656 341 V HN 0.306 nan 8.190 nan 0.000 0.451 342 K N -0.116 120.308 120.400 0.040 0.000 2.362 342 K HA -0.058 4.177 4.320 -0.143 0.000 0.200 342 K C 2.274 178.812 176.600 -0.104 0.000 1.046 342 K CA 1.116 57.353 56.287 -0.083 0.000 0.952 342 K CB -0.163 32.257 32.500 -0.133 0.000 0.753 342 K HN 0.319 nan 8.250 nan 0.000 0.466 343 S N 0.488 116.161 115.700 -0.046 0.000 2.447 343 S HA -0.077 4.307 4.470 -0.143 0.000 0.233 343 S C 1.849 176.332 174.600 -0.196 0.000 1.006 343 S CA 1.292 59.422 58.200 -0.116 0.000 0.957 343 S CB 0.145 63.388 63.200 0.071 0.000 0.773 343 S HN 0.324 nan 8.310 nan 0.000 0.507 344 V N -2.661 117.214 119.914 -0.065 0.000 3.473 344 V HA 0.584 4.618 4.120 -0.143 0.000 0.253 344 V C 0.677 176.759 176.094 -0.020 0.000 1.340 344 V CA 0.027 62.304 62.300 -0.037 0.000 1.103 344 V CB -0.656 31.212 31.823 0.076 0.000 0.881 344 V HN 0.247 nan 8.190 nan 0.000 0.451 345 A N 2.685 125.502 122.820 -0.005 0.000 2.548 345 A HA 0.547 4.782 4.320 -0.143 0.000 0.247 345 A C 0.699 178.245 177.584 -0.064 0.000 1.067 345 A CA 0.852 52.891 52.037 0.005 0.000 0.757 345 A CB -0.356 18.681 19.000 0.061 0.000 0.996 345 A HN 1.119 nan 8.150 nan 0.000 0.504 346 S N 2.468 118.147 115.700 -0.034 0.000 2.617 346 S HA 0.471 4.855 4.470 -0.143 0.000 0.283 346 S C 1.050 175.619 174.600 -0.052 0.000 1.189 346 S CA -0.313 57.851 58.200 -0.060 0.000 1.036 346 S CB 1.084 64.263 63.200 -0.035 0.000 1.014 346 S HN 0.763 nan 8.310 nan 0.000 0.522 347 I N 1.727 122.245 120.570 -0.087 0.000 2.226 347 I HA -0.003 4.081 4.170 -0.143 0.000 0.245 347 I C 2.201 178.330 176.117 0.020 0.000 1.100 347 I CA 1.796 63.067 61.300 -0.049 0.000 1.374 347 I CB -0.885 37.030 38.000 -0.142 0.000 1.057 347 I HN 0.913 nan 8.210 nan 0.000 0.413 348 G N -0.095 108.699 108.800 -0.009 0.000 2.422 348 G HA2 -0.218 3.656 3.960 -0.143 0.000 0.218 348 G HA3 -0.218 3.656 3.960 -0.143 0.000 0.218 348 G C 1.607 176.539 174.900 0.053 0.000 1.146 348 G CA 0.654 45.762 45.100 0.013 0.000 0.769 348 G HN 0.542 nan 8.290 nan 0.000 0.547 349 G N 0.527 109.350 108.800 0.039 0.000 2.432 349 G HA2 -0.276 3.599 3.960 -0.143 0.000 0.219 349 G HA3 -0.276 3.599 3.960 -0.143 0.000 0.219 349 G C 1.671 176.632 174.900 0.102 0.000 1.135 349 G CA 1.065 46.198 45.100 0.054 0.000 0.767 349 G HN 0.485 nan 8.290 nan 0.000 0.550 350 N N 0.482 119.263 118.700 0.135 0.000 2.142 350 N HA -0.045 4.610 4.740 -0.143 0.000 0.186 350 N C 2.301 177.940 175.510 0.215 0.000 1.023 350 N CA 0.834 53.996 53.050 0.186 0.000 0.852 350 N CB -0.095 38.533 38.487 0.236 0.000 0.998 350 N HN 0.362 nan 8.380 nan 0.000 0.424 351 I N 1.112 121.832 120.570 0.249 0.000 2.142 351 I HA -0.244 3.840 4.170 -0.143 0.000 0.240 351 I C 2.043 178.404 176.117 0.406 0.000 1.078 351 I CA 0.752 62.268 61.300 0.359 0.000 1.343 351 I CB -0.123 38.031 38.000 0.256 0.000 1.046 351 I HN 0.123 nan 8.210 nan 0.000 0.405 352 I N 0.359 121.085 120.570 0.261 0.000 2.439 352 I HA -0.185 3.899 4.170 -0.143 0.000 0.251 352 I C 2.556 178.761 176.117 0.147 0.000 1.139 352 I CA 1.419 62.844 61.300 0.208 0.000 1.438 352 I CB -1.743 36.322 38.000 0.109 0.000 1.085 352 I HN 0.242 nan 8.210 nan 0.000 0.427 353 T N 1.494 116.118 114.554 0.117 0.000 2.699 353 T HA -0.149 4.115 4.350 -0.143 0.000 0.268 353 T C 1.371 176.094 174.700 0.038 0.000 1.036 353 T CA 1.655 63.792 62.100 0.062 0.000 1.147 353 T CB -0.375 68.528 68.868 0.058 0.000 0.862 353 T HN 0.567 nan 8.240 nan 0.000 0.446 354 A N 1.184 124.060 122.820 0.093 0.000 2.822 354 A HA -0.147 4.087 4.320 -0.143 0.000 0.287 354 A C 0.902 178.396 177.584 -0.151 0.000 1.479 354 A CA 0.723 52.759 52.037 -0.001 0.000 0.779 354 A CB -2.233 16.870 19.000 0.172 0.000 1.022 354 A HN 0.547 nan 8.150 nan 0.000 0.532 355 S N -0.363 115.271 115.700 -0.111 0.000 2.562 355 S HA 0.457 4.841 4.470 -0.143 0.000 0.281 355 S C -0.426 174.098 174.600 -0.126 0.000 1.333 355 S CA -0.634 57.503 58.200 -0.106 0.000 1.052 355 S CB 0.592 63.756 63.200 -0.061 0.000 0.884 355 S HN 0.307 nan 8.310 nan 0.000 0.506 356 P HA -0.053 nan 4.420 nan 0.000 0.219 356 P C 0.746 178.011 177.300 -0.059 0.000 1.146 356 P CA 0.851 63.923 63.100 -0.047 0.000 0.808 356 P CB -0.188 31.528 31.700 0.026 0.000 0.779 357 I N -5.008 115.527 120.570 -0.059 0.000 3.891 357 I HA 0.246 4.330 4.170 -0.143 0.000 0.331 357 I C 0.487 176.556 176.117 -0.080 0.000 1.406 357 I CA -1.153 60.110 61.300 -0.062 0.000 1.139 357 I CB -1.165 36.797 38.000 -0.063 0.000 1.056 357 I HN -0.294 nan 8.210 nan 0.000 0.399 358 S N 1.514 117.162 115.700 -0.088 0.000 2.563 358 S HA -0.044 4.341 4.470 -0.143 0.000 0.294 358 S C 1.010 175.568 174.600 -0.070 0.000 1.279 358 S CA 0.154 58.310 58.200 -0.074 0.000 1.069 358 S CB 0.101 63.263 63.200 -0.064 0.000 0.828 358 S HN 0.471 nan 8.310 nan 0.000 0.497 359 D N 4.042 124.406 120.400 -0.060 0.000 2.323 359 D HA 0.030 4.584 4.640 -0.143 0.000 0.209 359 D C 1.533 177.780 176.300 -0.087 0.000 0.973 359 D CA 0.750 54.725 54.000 -0.041 0.000 0.874 359 D CB 0.189 40.993 40.800 0.006 0.000 0.930 359 D HN 0.527 nan 8.370 nan 0.000 0.521 360 L N 0.387 121.534 121.223 -0.127 0.000 2.316 360 L HA 0.040 4.294 4.340 -0.143 0.000 0.207 360 L C 1.958 178.479 176.870 -0.581 0.000 1.070 360 L CA 0.199 54.763 54.840 -0.460 0.000 0.820 360 L CB -0.175 41.604 42.059 -0.466 0.000 0.992 360 L HN -0.162 nan 8.230 nan 0.000 0.466 361 N N 0.629 119.219 118.700 -0.183 0.000 2.149 361 N HA -0.132 4.522 4.740 -0.143 0.000 0.188 361 N C -0.899 174.630 175.510 0.033 0.000 1.019 361 N CA 1.375 54.451 53.050 0.043 0.000 0.857 361 N CB -1.295 37.242 38.487 0.084 0.000 0.997 361 N HN 0.241 nan 8.380 nan 0.000 0.426 362 P HA -0.039 nan 4.420 nan 0.000 0.218 362 P C 1.683 178.987 177.300 0.007 0.000 1.149 362 P CA 0.607 63.694 63.100 -0.022 0.000 0.817 362 P CB 0.156 31.812 31.700 -0.073 0.000 0.785 363 V N -1.335 118.549 119.914 -0.051 0.000 2.358 363 V HA -0.204 3.830 4.120 -0.143 0.000 0.246 363 V C 2.072 178.246 176.094 0.132 0.000 1.047 363 V CA 1.693 64.046 62.300 0.088 0.000 1.035 363 V CB -1.299 30.453 31.823 -0.118 0.000 0.658 363 V HN -0.026 nan 8.190 nan 0.000 0.452 364 F N -0.902 119.085 119.950 0.062 0.000 2.206 364 F HA -0.060 4.383 4.527 -0.141 0.000 0.298 364 F C 2.284 178.108 175.800 0.040 0.000 1.090 364 F CA 1.196 59.204 58.000 0.012 0.000 1.323 364 F CB -0.851 38.143 39.000 -0.010 0.000 1.028 364 F HN 0.092 nan 8.300 nan 0.000 0.492 365 M N -0.077 119.688 119.600 0.275 0.000 2.099 365 M HA -0.115 4.279 4.480 -0.143 0.000 0.262 365 M C 2.397 178.801 176.300 0.174 0.000 1.067 365 M CA 1.844 57.272 55.300 0.214 0.000 1.124 365 M CB -0.273 32.475 32.600 0.248 0.000 1.353 365 M HN 0.091 nan 8.290 nan 0.000 0.410 366 A N -0.102 122.823 122.820 0.174 0.000 1.978 366 A HA -0.168 4.066 4.320 -0.143 0.000 0.220 366 A C 2.048 179.795 177.584 0.273 0.000 1.170 366 A CA 2.149 54.296 52.037 0.184 0.000 0.636 366 A CB -0.900 18.163 19.000 0.104 0.000 0.810 366 A HN 0.718 nan 8.150 nan 0.000 0.448 367 S N -1.892 113.970 115.700 0.271 0.000 2.556 367 S HA 0.392 4.776 4.470 -0.143 0.000 0.216 367 S C 1.254 175.898 174.600 0.074 0.000 0.970 367 S CA 0.867 59.157 58.200 0.150 0.000 0.912 367 S CB -0.445 62.731 63.200 -0.040 0.000 0.790 367 S HN 1.891 nan 8.310 nan 0.000 0.504 368 G N 1.590 110.441 108.800 0.084 0.000 2.323 368 G HA2 -0.110 3.764 3.960 -0.143 0.000 0.292 368 G HA3 -0.110 3.764 3.960 -0.143 0.000 0.292 368 G C 0.313 175.201 174.900 -0.020 0.000 1.040 368 G CA -0.013 45.107 45.100 0.033 0.000 0.942 368 G HN 1.332 nan 8.290 nan 0.000 0.506 369 A N -0.241 122.563 122.820 -0.027 0.000 2.565 369 A HA 0.434 4.668 4.320 -0.143 0.000 0.237 369 A C 0.905 178.386 177.584 -0.172 0.000 1.053 369 A CA 0.921 52.889 52.037 -0.116 0.000 0.755 369 A CB 0.325 19.206 19.000 -0.199 0.000 0.980 369 A HN 0.676 nan 8.150 nan 0.000 0.506 370 K N 3.118 123.417 120.400 -0.168 0.000 2.285 370 K HA 0.437 4.671 4.320 -0.143 0.000 0.286 370 K C -1.050 175.430 176.600 -0.201 0.000 1.072 370 K CA -0.107 56.085 56.287 -0.158 0.000 0.913 370 K CB 0.118 32.548 32.500 -0.118 0.000 1.067 370 K HN 0.669 nan 8.250 nan 0.000 0.479 371 L N 3.621 124.715 121.223 -0.216 0.000 2.295 371 L HA 0.339 4.593 4.340 -0.143 0.000 0.285 371 L C -0.007 176.788 176.870 -0.126 0.000 1.035 371 L CA -0.815 53.897 54.840 -0.212 0.000 0.806 371 L CB 1.863 43.743 42.059 -0.298 0.000 1.214 371 L HN 0.580 nan 8.230 nan 0.000 0.426 372 T N 4.428 118.922 114.554 -0.101 0.000 2.771 372 T HA 0.607 4.871 4.350 -0.143 0.000 0.281 372 T C -0.172 174.503 174.700 -0.042 0.000 0.982 372 T CA -0.416 61.645 62.100 -0.065 0.000 0.978 372 T CB 1.012 69.841 68.868 -0.065 0.000 0.930 372 T HN 0.285 nan 8.240 nan 0.000 0.447 373 L N 3.760 124.969 121.223 -0.023 0.000 2.346 373 L HA 0.845 5.100 4.340 -0.143 0.000 0.276 373 L C -0.129 176.732 176.870 -0.016 0.000 1.006 373 L CA -1.328 53.507 54.840 -0.009 0.000 0.817 373 L CB 1.642 43.708 42.059 0.012 0.000 1.272 373 L HN 0.423 nan 8.230 nan 0.000 0.421 374 V N -0.269 119.635 119.914 -0.017 0.000 2.914 374 V HA 0.948 4.982 4.120 -0.143 0.000 0.314 374 V C -0.240 175.843 176.094 -0.018 0.000 1.084 374 V CA -0.407 61.882 62.300 -0.018 0.000 0.963 374 V CB 1.778 33.589 31.823 -0.019 0.000 1.025 374 V HN 0.909 nan 8.190 nan 0.000 0.432 375 S N 2.544 118.233 115.700 -0.018 0.000 2.685 375 S HA 0.611 4.996 4.470 -0.143 0.000 0.282 375 S C -0.396 174.194 174.600 -0.017 0.000 1.159 375 S CA -1.026 57.163 58.200 -0.018 0.000 0.833 375 S CB 1.841 65.029 63.200 -0.020 0.000 1.151 375 S HN 1.183 nan 8.310 nan 0.000 0.485 376 R N 0.182 120.672 120.500 -0.017 0.000 2.483 376 R HA 0.367 4.621 4.340 -0.143 0.000 0.329 376 R C 1.331 177.622 176.300 -0.015 0.000 0.961 376 R CA 1.612 57.703 56.100 -0.015 0.000 1.041 376 R CB -0.930 29.361 30.300 -0.015 0.000 0.930 376 R HN 1.572 nan 8.270 nan 0.000 0.413 377 G N 2.615 111.407 108.800 -0.013 0.000 2.176 377 G HA2 -0.293 3.581 3.960 -0.143 0.000 0.253 377 G HA3 -0.293 3.581 3.960 -0.143 0.000 0.253 377 G C -0.036 174.856 174.900 -0.014 0.000 0.979 377 G CA 0.455 45.547 45.100 -0.013 0.000 0.641 377 G HN 0.839 nan 8.290 nan 0.000 0.530 378 T N -2.975 111.570 114.554 -0.015 0.000 2.903 378 T HA 0.766 5.030 4.350 -0.143 0.000 0.299 378 T C -0.796 173.894 174.700 -0.016 0.000 1.093 378 T CA -0.174 61.917 62.100 -0.015 0.000 1.002 378 T CB 2.912 71.770 68.868 -0.016 0.000 1.127 378 T HN 0.954 nan 8.240 nan 0.000 0.488 379 R N 1.035 121.525 120.500 -0.017 0.000 2.535 379 R HA 0.659 4.913 4.340 -0.143 0.000 0.274 379 R C -1.196 175.093 176.300 -0.018 0.000 1.090 379 R CA -0.758 55.331 56.100 -0.018 0.000 0.930 379 R CB 1.520 31.808 30.300 -0.020 0.000 1.223 379 R HN 1.053 nan 8.270 nan 0.000 0.441 380 R N 0.886 121.374 120.500 -0.019 0.000 2.764 380 R HA 0.577 4.831 4.340 -0.143 0.000 0.270 380 R C -1.539 174.747 176.300 -0.024 0.000 1.014 380 R CA -0.973 55.115 56.100 -0.019 0.000 0.904 380 R CB 2.183 32.474 30.300 -0.014 0.000 1.236 380 R HN 0.369 nan 8.270 nan 0.000 0.466 381 T N 1.372 115.910 114.554 -0.027 0.000 2.848 381 T HA 0.513 4.777 4.350 -0.143 0.000 0.285 381 T C -0.734 173.945 174.700 -0.036 0.000 0.995 381 T CA -0.647 61.429 62.100 -0.040 0.000 0.970 381 T CB 1.603 70.444 68.868 -0.045 0.000 0.976 381 T HN 0.538 nan 8.240 nan 0.000 0.441 382 V N 1.361 121.246 119.914 -0.048 0.000 2.914 382 V HA 0.779 4.813 4.120 -0.143 0.000 0.314 382 V C -0.637 175.405 176.094 -0.087 0.000 1.084 382 V CA -1.349 60.926 62.300 -0.042 0.000 0.963 382 V CB 2.000 33.827 31.823 0.007 0.000 1.025 382 V HN 0.595 nan 8.190 nan 0.000 0.432 383 R N 2.868 123.328 120.500 -0.067 0.000 2.297 383 R HA 0.449 4.703 4.340 -0.143 0.000 0.308 383 R C -0.202 176.035 176.300 -0.105 0.000 1.029 383 R CA -0.687 55.365 56.100 -0.080 0.000 0.929 383 R CB 1.359 31.639 30.300 -0.033 0.000 1.046 383 R HN 1.026 nan 8.270 nan 0.000 0.461 384 M N 3.819 123.316 119.600 -0.172 0.000 2.246 384 M HA -0.036 4.358 4.480 -0.143 0.000 0.350 384 M C -0.521 175.772 176.300 -0.011 0.000 1.406 384 M CA 0.842 56.022 55.300 -0.201 0.000 1.089 384 M CB 0.193 32.642 32.600 -0.252 0.000 1.782 384 M HN 0.661 nan 8.290 nan 0.000 0.457 385 D N 2.591 123.018 120.400 0.045 0.000 2.825 385 D HA 0.107 4.661 4.640 -0.143 0.000 0.327 385 D C 0.680 177.087 176.300 0.179 0.000 1.277 385 D CA -0.294 53.789 54.000 0.138 0.000 0.950 385 D CB -0.011 40.869 40.800 0.133 0.000 1.438 385 D HN 0.709 nan 8.370 nan 0.000 0.526 386 H N -1.047 118.119 119.070 0.160 0.000 2.456 386 H HA -0.104 4.367 4.556 -0.143 0.000 0.296 386 H C 1.272 176.704 175.328 0.173 0.000 1.079 386 H CA 2.280 58.444 56.048 0.193 0.000 1.322 386 H CB -0.952 28.897 29.762 0.146 0.000 1.388 386 H HN 0.511 nan 8.280 nan 0.000 0.538 387 T N -2.292 111.907 114.554 -0.592 0.000 3.035 387 T HA -0.125 4.139 4.350 -0.143 0.000 0.268 387 T C 1.832 176.432 174.700 -0.166 0.000 1.109 387 T CA 0.468 62.335 62.100 -0.388 0.000 1.119 387 T CB -0.971 67.674 68.868 -0.372 0.000 0.900 387 T HN 0.284 nan 8.240 nan 0.000 0.503 388 F N 1.509 121.291 119.950 -0.279 0.000 2.269 388 F HA 0.297 4.738 4.527 -0.143 0.000 0.301 388 F C 0.023 175.495 175.800 -0.545 0.000 1.082 388 F CA -0.101 57.632 58.000 -0.444 0.000 1.360 388 F CB -0.051 38.585 39.000 -0.607 0.000 1.041 388 F HN 0.157 nan 8.300 nan 0.000 0.512 389 F N 1.936 121.890 119.950 0.007 0.000 2.359 389 F HA 0.338 4.780 4.527 -0.142 0.000 0.370 389 F C -1.817 173.974 175.800 -0.016 0.000 1.077 389 F CA -1.780 56.207 58.000 -0.021 0.000 1.136 389 F CB 0.803 39.869 39.000 0.110 0.000 1.387 389 F HN -0.180 nan 8.300 nan 0.000 0.468 390 P HA 0.278 nan 4.420 nan 0.000 0.262 390 P C 0.219 177.571 177.300 0.087 0.000 1.304 390 P CA 0.261 63.394 63.100 0.055 0.000 0.859 390 P CB 1.125 32.813 31.700 -0.021 0.000 1.310 391 G N -0.321 108.552 108.800 0.121 0.000 2.340 391 G HA2 0.112 3.986 3.960 -0.143 0.000 0.300 391 G HA3 0.112 3.986 3.960 -0.143 0.000 0.300 391 G C -2.045 172.946 174.900 0.153 0.000 1.488 391 G CA -0.890 44.287 45.100 0.128 0.000 0.878 391 G HN -0.079 nan 8.290 nan 0.000 0.618 392 Y N 2.048 122.376 120.300 0.046 0.000 2.815 392 Y HA 0.231 4.695 4.550 -0.144 0.000 0.346 392 Y C 1.812 177.741 175.900 0.048 0.000 1.267 392 Y CA 1.520 59.643 58.100 0.038 0.000 1.604 392 Y CB -0.014 38.464 38.460 0.030 0.000 1.218 392 Y HN 0.776 nan 8.280 nan 0.000 0.527 393 R N 1.954 122.185 120.500 -0.447 0.000 3.953 393 R HA -0.250 4.004 4.340 -0.143 0.000 0.340 393 R C -0.468 175.766 176.300 -0.109 0.000 1.195 393 R CA 1.194 57.079 56.100 -0.359 0.000 0.929 393 R CB -1.306 28.652 30.300 -0.569 0.000 1.402 393 R HN 0.591 nan 8.270 nan 0.000 0.540 394 K N 0.755 121.141 120.400 -0.024 0.000 2.156 394 K HA 0.421 4.655 4.320 -0.143 0.000 0.250 394 K C 0.618 177.205 176.600 -0.022 0.000 0.955 394 K CA -0.080 56.198 56.287 -0.016 0.000 0.855 394 K CB 1.877 34.371 32.500 -0.009 0.000 1.101 394 K HN 0.139 nan 8.250 nan 0.000 0.434 395 T N -1.964 112.481 114.554 -0.180 0.000 2.858 395 T HA 0.294 4.558 4.350 -0.143 0.000 0.285 395 T C 0.583 174.982 174.700 -0.501 0.000 1.052 395 T CA -0.902 60.871 62.100 -0.545 0.000 1.009 395 T CB 0.553 68.951 68.868 -0.784 0.000 1.241 395 T HN 0.361 nan 8.240 nan 0.000 0.542 396 L N -0.693 120.087 121.223 -0.740 0.000 2.627 396 L HA 0.489 4.743 4.340 -0.143 0.000 0.233 396 L C 0.076 176.789 176.870 -0.261 0.000 1.144 396 L CA 0.068 54.668 54.840 -0.401 0.000 0.892 396 L CB -1.803 40.055 42.059 -0.334 0.000 1.039 396 L HN 0.411 nan 8.230 nan 0.000 0.442 397 L N 0.958 122.021 121.223 -0.267 0.000 2.439 397 L HA 0.281 4.536 4.340 -0.143 0.000 0.269 397 L C 0.991 177.805 176.870 -0.094 0.000 1.179 397 L CA 0.510 55.275 54.840 -0.126 0.000 0.828 397 L CB 0.268 42.275 42.059 -0.087 0.000 1.106 397 L HN 0.271 nan 8.230 nan 0.000 0.467 398 R N 3.679 124.142 120.500 -0.061 0.000 2.615 398 R HA 0.173 4.427 4.340 -0.143 0.000 0.270 398 R C -1.541 174.736 176.300 -0.039 0.000 1.081 398 R CA -1.395 54.677 56.100 -0.047 0.000 1.154 398 R CB -0.013 30.265 30.300 -0.036 0.000 1.063 398 R HN 0.418 nan 8.270 nan 0.000 0.519 399 P HA -0.164 nan 4.420 nan 0.000 0.222 399 P C 0.625 177.912 177.300 -0.023 0.000 1.147 399 P CA 1.102 64.187 63.100 -0.024 0.000 0.790 399 P CB 0.196 31.887 31.700 -0.014 0.000 0.780 400 E N -0.258 119.927 120.200 -0.024 0.000 2.478 400 E HA 0.001 4.265 4.350 -0.143 0.000 0.194 400 E C 0.237 176.823 176.600 -0.025 0.000 1.045 400 E CA 0.377 56.763 56.400 -0.023 0.000 0.868 400 E CB -0.205 29.481 29.700 -0.024 0.000 0.885 400 E HN 0.302 nan 8.360 nan 0.000 0.505 401 E N 0.822 121.006 120.200 -0.026 0.000 2.283 401 E HA 0.434 4.698 4.350 -0.143 0.000 0.271 401 E C -0.233 176.352 176.600 -0.024 0.000 1.031 401 E CA -0.642 55.744 56.400 -0.024 0.000 0.868 401 E CB 1.092 30.779 29.700 -0.023 0.000 1.094 401 E HN 0.199 nan 8.360 nan 0.000 0.401 402 I N -0.498 120.059 120.570 -0.021 0.000 2.892 402 I HA 0.382 4.466 4.170 -0.143 0.000 0.306 402 I C -1.151 174.961 176.117 -0.009 0.000 1.078 402 I CA -1.247 60.041 61.300 -0.020 0.000 1.032 402 I CB 0.960 38.941 38.000 -0.031 0.000 1.229 402 I HN 0.298 nan 8.210 nan 0.000 0.435 403 L N 3.816 125.038 121.223 -0.001 0.000 2.313 403 L HA 0.345 4.599 4.340 -0.143 0.000 0.282 403 L C 0.404 177.260 176.870 -0.022 0.000 1.092 403 L CA 0.077 54.917 54.840 -0.001 0.000 0.831 403 L CB 1.022 43.091 42.059 0.017 0.000 1.159 403 L HN 0.869 nan 8.230 nan 0.000 0.442 404 L N 3.914 125.118 121.223 -0.032 0.000 2.168 404 L HA 0.364 4.618 4.340 -0.143 0.000 0.203 404 L C 0.503 177.344 176.870 -0.047 0.000 1.078 404 L CA 1.328 56.147 54.840 -0.036 0.000 0.780 404 L CB -0.020 42.017 42.059 -0.037 0.000 0.939 404 L HN 0.874 nan 8.230 nan 0.000 0.451 405 S N -1.342 114.318 115.700 -0.067 0.000 2.552 405 S HA 0.484 4.868 4.470 -0.143 0.000 0.272 405 S C -1.000 173.524 174.600 -0.127 0.000 1.150 405 S CA -0.689 57.461 58.200 -0.083 0.000 0.849 405 S CB 1.091 64.239 63.200 -0.086 0.000 1.113 405 S HN 0.207 nan 8.310 nan 0.000 0.458 406 I N 0.777 121.259 120.570 -0.146 0.000 2.498 406 I HA 0.562 4.646 4.170 -0.143 0.000 0.290 406 I C -0.746 175.259 176.117 -0.187 0.000 1.032 406 I CA -0.430 60.728 61.300 -0.237 0.000 1.073 406 I CB 1.688 39.434 38.000 -0.424 0.000 1.251 406 I HN 0.941 nan 8.210 nan 0.000 0.426 407 E N 8.092 128.170 120.200 -0.203 0.000 2.109 407 E HA 0.390 4.654 4.350 -0.143 0.000 0.278 407 E C -1.112 175.392 176.600 -0.160 0.000 0.954 407 E CA -0.702 55.593 56.400 -0.175 0.000 0.779 407 E CB 1.060 30.663 29.700 -0.161 0.000 1.093 407 E HN 0.588 nan 8.360 nan 0.000 0.401 408 I N 7.637 128.154 120.570 -0.088 0.000 2.352 408 I HA 0.232 4.316 4.170 -0.143 0.000 0.290 408 I C -1.929 174.205 176.117 0.029 0.000 1.036 408 I CA -1.945 59.359 61.300 0.007 0.000 1.336 408 I CB 0.863 38.943 38.000 0.134 0.000 1.407 408 I HN 0.365 nan 8.210 nan 0.000 0.497 409 P HA 0.171 nan 4.420 nan 0.000 0.284 409 P C -1.097 175.986 177.300 -0.361 0.000 1.258 409 P CA -0.419 62.574 63.100 -0.179 0.000 0.824 409 P CB 0.561 32.190 31.700 -0.118 0.000 1.038 410 Y N 0.028 120.192 120.300 -0.227 0.000 2.578 410 Y HA 0.061 4.525 4.550 -0.144 0.000 0.339 410 Y C 1.761 177.489 175.900 -0.286 0.000 1.231 410 Y CA 0.084 57.949 58.100 -0.392 0.000 1.461 410 Y CB 0.162 38.483 38.460 -0.231 0.000 1.323 410 Y HN 0.329 nan 8.280 nan 0.000 0.590 411 S N 2.315 117.935 115.700 -0.134 0.000 2.601 411 S HA 0.424 4.808 4.470 -0.143 0.000 0.271 411 S C -0.521 174.036 174.600 -0.071 0.000 1.305 411 S CA -1.174 56.966 58.200 -0.101 0.000 1.022 411 S CB 1.285 64.428 63.200 -0.095 0.000 0.940 411 S HN 0.557 nan 8.310 nan 0.000 0.525 412 K N 0.370 120.720 120.400 -0.083 0.000 2.132 412 K HA 0.331 4.565 4.320 -0.143 0.000 0.241 412 K C -0.228 176.297 176.600 -0.125 0.000 1.000 412 K CA -0.792 55.443 56.287 -0.086 0.000 0.911 412 K CB 0.496 32.951 32.500 -0.075 0.000 1.093 412 K HN 0.588 nan 8.250 nan 0.000 0.460 413 E N 0.085 120.224 120.200 -0.101 0.000 2.465 413 E HA 0.039 4.303 4.350 -0.143 0.000 0.260 413 E C 0.566 177.066 176.600 -0.166 0.000 0.980 413 E CA 1.544 57.880 56.400 -0.107 0.000 0.927 413 E CB 0.202 29.865 29.700 -0.060 0.000 0.934 413 E HN 0.714 nan 8.360 nan 0.000 0.459 414 G N 3.469 112.107 108.800 -0.271 0.000 2.143 414 G HA2 -0.342 3.532 3.960 -0.143 0.000 0.248 414 G HA3 -0.342 3.532 3.960 -0.143 0.000 0.248 414 G C 0.130 174.645 174.900 -0.642 0.000 0.991 414 G CA 0.441 45.322 45.100 -0.366 0.000 0.689 414 G HN 0.509 nan 8.290 nan 0.000 0.522 415 E N -0.294 119.455 120.200 -0.751 0.000 2.165 415 E HA 0.665 4.929 4.350 -0.143 0.000 0.266 415 E C -0.698 175.539 176.600 -0.605 0.000 0.889 415 E CA -0.921 55.148 56.400 -0.551 0.000 0.756 415 E CB 0.646 30.208 29.700 -0.231 0.000 1.131 415 E HN 0.063 nan 8.360 nan 0.000 0.411 416 F N 3.302 123.287 119.950 0.058 0.000 2.561 416 F HA 0.582 5.025 4.527 -0.141 0.000 0.321 416 F C -0.648 175.309 175.800 0.262 0.000 1.065 416 F CA -0.999 57.062 58.000 0.103 0.000 0.934 416 F CB 1.315 40.306 39.000 -0.014 0.000 1.215 416 F HN 0.370 nan 8.300 nan 0.000 0.471 417 F N 0.497 120.636 119.950 0.316 0.000 2.581 417 F HA 0.690 5.131 4.527 -0.144 0.000 0.311 417 F C -0.770 175.116 175.800 0.145 0.000 1.113 417 F CA -0.338 57.783 58.000 0.202 0.000 0.935 417 F CB 1.860 40.895 39.000 0.060 0.000 1.232 417 F HN 0.358 nan 8.300 nan 0.000 0.445 418 S N 3.003 118.484 115.700 -0.365 0.000 2.548 418 S HA 0.927 5.311 4.470 -0.143 0.000 0.286 418 S C -1.097 173.049 174.600 -0.757 0.000 1.098 418 S CA -0.656 57.307 58.200 -0.395 0.000 0.930 418 S CB 1.799 64.802 63.200 -0.328 0.000 1.070 418 S HN 0.851 nan 8.310 nan 0.000 0.480 419 A N 1.819 124.246 122.820 -0.655 0.000 2.380 419 A HA 0.948 5.182 4.320 -0.143 0.000 0.315 419 A C -1.472 175.509 177.584 -1.004 0.000 1.101 419 A CA -0.570 51.112 52.037 -0.592 0.000 0.771 419 A CB 0.668 19.577 19.000 -0.152 0.000 1.287 419 A HN 0.642 nan 8.150 nan 0.000 0.436 420 F N 0.201 119.912 119.950 -0.397 0.000 2.588 420 F HA 0.677 5.115 4.527 -0.147 0.000 0.310 420 F C 0.023 175.494 175.800 -0.549 0.000 1.082 420 F CA -0.509 57.090 58.000 -0.667 0.000 0.929 420 F CB 2.652 40.667 39.000 -1.641 0.000 1.254 420 F HN 0.598 nan 8.300 nan 0.000 0.455 421 K N 2.057 122.356 120.400 -0.169 0.000 2.501 421 K HA 0.603 4.837 4.320 -0.143 0.000 0.252 421 K C -1.899 174.762 176.600 0.101 0.000 0.934 421 K CA -0.717 55.568 56.287 -0.004 0.000 0.797 421 K CB 2.249 34.759 32.500 0.016 0.000 1.270 421 K HN 0.617 nan 8.250 nan 0.000 0.431 422 Q N 2.575 122.514 119.800 0.230 0.000 2.305 422 Q HA 0.715 4.969 4.340 -0.143 0.000 0.271 422 Q C -1.917 174.121 176.000 0.063 0.000 1.046 422 Q CA -0.387 55.509 55.803 0.154 0.000 0.798 422 Q CB 2.232 31.101 28.738 0.219 0.000 1.286 422 Q HN 0.762 nan 8.270 nan 0.000 0.435 423 A N 1.677 124.514 122.820 0.029 0.000 2.985 423 A HA 0.726 4.960 4.320 -0.143 0.000 0.248 423 A C 0.050 177.676 177.584 0.070 0.000 1.195 423 A CA 0.060 52.110 52.037 0.023 0.000 0.798 423 A CB 0.623 19.600 19.000 -0.038 0.000 1.376 423 A HN 0.675 nan 8.150 nan 0.000 0.574 424 S N -0.927 114.795 115.700 0.035 0.000 2.492 424 S HA 0.209 4.594 4.470 -0.143 0.000 0.218 424 S C 0.765 175.348 174.600 -0.028 0.000 1.016 424 S CA 0.402 58.622 58.200 0.034 0.000 0.916 424 S CB -0.001 63.221 63.200 0.037 0.000 0.791 424 S HN 0.576 nan 8.310 nan 0.000 0.513 425 R N 0.596 121.055 120.500 -0.069 0.000 2.725 425 R HA 0.434 4.689 4.340 -0.143 0.000 0.277 425 R C 0.726 176.917 176.300 -0.181 0.000 0.987 425 R CA -0.760 55.270 56.100 -0.116 0.000 0.901 425 R CB 1.038 31.275 30.300 -0.105 0.000 1.207 425 R HN -0.004 nan 8.270 nan 0.000 0.463 426 R N 1.379 121.705 120.500 -0.290 0.000 2.073 426 R HA -0.069 4.186 4.340 -0.143 0.000 0.234 426 R C -0.442 175.623 176.300 -0.390 0.000 1.134 426 R CA 1.559 57.342 56.100 -0.528 0.000 0.952 426 R CB 0.110 29.941 30.300 -0.781 0.000 0.850 426 R HN 0.565 nan 8.270 nan 0.000 0.433 427 E N -0.460 119.659 120.200 -0.136 0.000 2.249 427 E HA 0.359 4.623 4.350 -0.143 0.000 0.280 427 E C -0.570 176.085 176.600 0.090 0.000 1.016 427 E CA 0.537 57.018 56.400 0.135 0.000 0.830 427 E CB 1.564 31.358 29.700 0.157 0.000 1.081 427 E HN 0.365 nan 8.360 nan 0.000 0.395 428 A N 2.406 125.314 122.820 0.147 0.000 2.610 428 A HA -0.203 4.031 4.320 -0.143 0.000 0.299 428 A C -0.236 177.363 177.584 0.026 0.000 1.487 428 A CA 1.167 53.258 52.037 0.089 0.000 0.743 428 A CB -1.687 17.375 19.000 0.103 0.000 1.070 428 A HN 0.488 nan 8.150 nan 0.000 0.439 429 D N -1.140 119.258 120.400 -0.003 0.000 2.566 429 D HA 0.728 5.282 4.640 -0.143 0.000 0.254 429 D C -0.077 176.185 176.300 -0.063 0.000 1.090 429 D CA -0.533 53.447 54.000 -0.034 0.000 1.034 429 D CB 1.070 41.844 40.800 -0.044 0.000 1.434 429 D HN 0.318 nan 8.370 nan 0.000 0.509 430 I N 1.371 121.906 120.570 -0.058 0.000 2.365 430 I HA 0.413 4.498 4.170 -0.143 0.000 0.291 430 I C 0.610 176.693 176.117 -0.057 0.000 1.004 430 I CA -0.823 60.432 61.300 -0.075 0.000 1.311 430 I CB 1.409 39.374 38.000 -0.057 0.000 1.401 430 I HN 0.404 nan 8.210 nan 0.000 0.491 431 A N 7.096 129.878 122.820 -0.062 0.000 2.540 431 A HA 0.106 4.340 4.320 -0.143 0.000 0.239 431 A C 1.134 178.696 177.584 -0.038 0.000 1.061 431 A CA 0.058 52.076 52.037 -0.032 0.000 0.758 431 A CB 0.317 19.306 19.000 -0.018 0.000 0.991 431 A HN 0.773 nan 8.150 nan 0.000 0.502 432 K N 0.866 121.249 120.400 -0.029 0.000 2.067 432 K HA 0.143 4.377 4.320 -0.143 0.000 0.203 432 K C -0.001 176.547 176.600 -0.088 0.000 1.048 432 K CA 1.142 57.385 56.287 -0.072 0.000 0.954 432 K CB 0.052 32.508 32.500 -0.072 0.000 0.737 432 K HN 0.546 nan 8.250 nan 0.000 0.444 433 V N 0.665 120.559 119.914 -0.034 0.000 2.760 433 V HA 0.294 4.328 4.120 -0.143 0.000 0.309 433 V C -0.459 175.803 176.094 0.279 0.000 1.077 433 V CA -0.853 61.498 62.300 0.085 0.000 0.910 433 V CB 2.027 33.838 31.823 -0.019 0.000 1.008 433 V HN 0.140 nan 8.190 nan 0.000 0.424 434 T N 2.068 116.771 114.554 0.250 0.000 2.903 434 T HA 0.770 5.034 4.350 -0.143 0.000 0.299 434 T C -1.152 173.623 174.700 0.126 0.000 1.093 434 T CA -0.242 61.949 62.100 0.152 0.000 1.002 434 T CB 1.862 70.755 68.868 0.041 0.000 1.127 434 T HN 0.976 nan 8.240 nan 0.000 0.488 435 S N 1.380 117.060 115.700 -0.033 0.000 2.537 435 S HA 0.761 5.145 4.470 -0.143 0.000 0.270 435 S C -0.675 173.774 174.600 -0.251 0.000 1.142 435 S CA -0.249 57.836 58.200 -0.191 0.000 0.870 435 S CB 1.405 64.495 63.200 -0.183 0.000 1.112 435 S HN 1.191 nan 8.310 nan 0.000 0.466 436 G N 2.713 111.314 108.800 -0.331 0.000 2.470 436 G HA2 0.677 4.551 3.960 -0.143 0.000 0.320 436 G HA3 0.677 4.551 3.960 -0.143 0.000 0.320 436 G C -1.151 173.358 174.900 -0.652 0.000 1.245 436 G CA -0.567 44.313 45.100 -0.366 0.000 0.935 436 G HN 0.637 nan 8.290 nan 0.000 0.476 437 M N 1.761 120.708 119.600 -1.089 0.000 2.327 437 M HA 0.511 4.905 4.480 -0.143 0.000 0.298 437 M C -0.377 175.179 176.300 -1.239 0.000 1.065 437 M CA -0.714 53.914 55.300 -1.120 0.000 0.916 437 M CB 3.330 35.049 32.600 -1.469 0.000 1.630 437 M HN 0.516 nan 8.290 nan 0.000 0.442 438 R N 1.930 122.114 120.500 -0.526 0.000 2.621 438 R HA 0.837 5.091 4.340 -0.143 0.000 0.284 438 R C -2.200 174.217 176.300 0.196 0.000 0.998 438 R CA -0.625 55.449 56.100 -0.044 0.000 0.895 438 R CB 2.502 32.896 30.300 0.157 0.000 1.195 438 R HN 0.622 nan 8.270 nan 0.000 0.450 439 V N 5.473 125.524 119.914 0.228 0.000 2.789 439 V HA 0.641 4.675 4.120 -0.143 0.000 0.311 439 V C -1.743 174.162 176.094 -0.315 0.000 1.073 439 V CA -0.879 61.374 62.300 -0.077 0.000 0.921 439 V CB 1.992 33.615 31.823 -0.334 0.000 1.009 439 V HN 0.713 nan 8.190 nan 0.000 0.426 440 L N 6.278 127.268 121.223 -0.388 0.000 2.381 440 L HA 0.710 4.964 4.340 -0.143 0.000 0.274 440 L C -1.283 175.319 176.870 -0.447 0.000 0.988 440 L CA 0.028 54.660 54.840 -0.345 0.000 0.824 440 L CB 1.595 43.561 42.059 -0.155 0.000 1.263 440 L HN 0.573 nan 8.230 nan 0.000 0.410 441 F N 2.831 122.705 119.950 -0.126 0.000 2.399 441 F HA 0.497 4.937 4.527 -0.144 0.000 0.328 441 F C 0.671 176.447 175.800 -0.040 0.000 1.084 441 F CA -0.619 57.349 58.000 -0.054 0.000 1.053 441 F CB 1.055 40.017 39.000 -0.062 0.000 1.209 441 F HN 0.310 nan 8.300 nan 0.000 0.502 442 K N 2.783 123.315 120.400 0.220 0.000 2.401 442 K HA 0.146 4.380 4.320 -0.143 0.000 0.278 442 K C -2.453 174.210 176.600 0.105 0.000 1.018 442 K CA -1.468 54.893 56.287 0.123 0.000 0.981 442 K CB -0.045 32.525 32.500 0.116 0.000 0.933 442 K HN 0.157 nan 8.250 nan 0.000 0.477 443 P HA -0.075 nan 4.420 nan 0.000 0.264 443 P C 0.568 177.886 177.300 0.029 0.000 1.193 443 P CA 0.772 63.893 63.100 0.035 0.000 0.763 443 P CB 0.534 32.244 31.700 0.017 0.000 0.810 444 G N 1.649 110.457 108.800 0.015 0.000 2.155 444 G HA2 -0.225 3.650 3.960 -0.143 0.000 0.257 444 G HA3 -0.225 3.650 3.960 -0.143 0.000 0.257 444 G C 0.352 175.250 174.900 -0.004 0.000 0.983 444 G CA 0.630 45.730 45.100 -0.000 0.000 0.676 444 G HN 0.844 nan 8.290 nan 0.000 0.528 445 T N -2.290 112.270 114.554 0.009 0.000 2.883 445 T HA 0.713 4.977 4.350 -0.143 0.000 0.284 445 T C 1.179 175.831 174.700 -0.080 0.000 1.041 445 T CA -0.385 61.719 62.100 0.006 0.000 1.007 445 T CB 1.747 70.657 68.868 0.070 0.000 1.220 445 T HN 1.060 nan 8.240 nan 0.000 0.552 446 I N -2.051 118.471 120.570 -0.080 0.000 3.856 446 I HA 0.495 4.579 4.170 -0.143 0.000 0.333 446 I C -0.040 176.219 176.117 0.236 0.000 1.525 446 I CA -0.758 60.405 61.300 -0.229 0.000 1.173 446 I CB -0.232 37.665 38.000 -0.172 0.000 1.175 446 I HN 0.475 nan 8.210 nan 0.000 0.424 447 E N 1.524 121.923 120.200 0.332 0.000 2.227 447 E HA 0.385 4.649 4.350 -0.143 0.000 0.282 447 E C -0.533 176.352 176.600 0.474 0.000 1.015 447 E CA -0.792 55.834 56.400 0.376 0.000 0.823 447 E CB 2.633 32.462 29.700 0.214 0.000 1.081 447 E HN 0.135 nan 8.360 nan 0.000 0.396 448 V N 3.883 124.025 119.914 0.380 0.000 2.479 448 V HA -0.071 3.963 4.120 -0.143 0.000 0.281 448 V C 1.205 177.359 176.094 0.100 0.000 1.031 448 V CA 0.510 62.917 62.300 0.177 0.000 1.038 448 V CB 1.023 32.986 31.823 0.234 0.000 0.981 448 V HN 0.825 nan 8.190 nan 0.000 0.478 449 Q N 3.631 123.443 119.800 0.020 0.000 2.226 449 Q HA 0.139 4.393 4.340 -0.143 0.000 0.199 449 Q C 0.173 176.178 176.000 0.008 0.000 0.945 449 Q CA 0.834 56.650 55.803 0.021 0.000 0.861 449 Q CB 0.576 29.323 28.738 0.014 0.000 0.953 449 Q HN 0.850 nan 8.270 nan 0.000 0.490 450 E N 0.096 120.279 120.200 -0.028 0.000 2.343 450 E HA 0.436 4.700 4.350 -0.143 0.000 0.278 450 E C -1.996 174.611 176.600 0.012 0.000 0.910 450 E CA -0.597 55.803 56.400 0.001 0.000 0.757 450 E CB 2.320 32.017 29.700 -0.005 0.000 1.218 450 E HN -0.002 nan 8.360 nan 0.000 0.435 451 L N 1.603 122.869 121.223 0.071 0.000 2.476 451 L HA 0.508 4.762 4.340 -0.143 0.000 0.269 451 L C -1.579 175.356 176.870 0.109 0.000 0.965 451 L CA -0.188 54.737 54.840 0.141 0.000 0.845 451 L CB 2.090 44.280 42.059 0.219 0.000 1.259 451 L HN 0.449 nan 8.230 nan 0.000 0.403 452 S N 5.771 121.524 115.700 0.088 0.000 2.647 452 S HA 0.817 5.201 4.470 -0.143 0.000 0.300 452 S C -1.396 173.179 174.600 -0.042 0.000 1.129 452 S CA -0.499 57.725 58.200 0.040 0.000 1.029 452 S CB 0.625 63.852 63.200 0.045 0.000 1.007 452 S HN 0.572 nan 8.310 nan 0.000 0.484 453 L N 4.636 125.839 121.223 -0.033 0.000 2.372 453 L HA 0.626 4.880 4.340 -0.143 0.000 0.273 453 L C -0.977 175.750 176.870 -0.238 0.000 0.989 453 L CA -0.653 54.086 54.840 -0.168 0.000 0.841 453 L CB 1.538 43.627 42.059 0.049 0.000 1.225 453 L HN 0.587 nan 8.230 nan 0.000 0.414 454 C N 2.735 121.717 119.300 -0.530 0.000 2.563 454 C HA 0.776 5.151 4.460 -0.143 0.000 0.314 454 C C -0.547 174.108 174.990 -0.559 0.000 1.199 454 C CA -0.795 58.044 59.018 -0.300 0.000 1.564 454 C CB 1.472 29.162 27.740 -0.083 0.000 2.173 454 C HN 0.542 nan 8.230 nan 0.000 0.485 455 F N 0.805 120.775 119.950 0.032 0.000 2.569 455 F HA 0.648 5.088 4.527 -0.145 0.000 0.312 455 F C 0.585 176.385 175.800 0.000 0.000 1.109 455 F CA -0.293 57.724 58.000 0.028 0.000 0.919 455 F CB 1.653 40.667 39.000 0.023 0.000 1.211 455 F HN 0.750 nan 8.300 nan 0.000 0.446 456 G N -0.217 108.690 108.800 0.178 0.000 2.434 456 G HA2 0.492 4.366 3.960 -0.143 0.000 0.330 456 G HA3 0.492 4.366 3.960 -0.143 0.000 0.330 456 G C 0.560 175.505 174.900 0.075 0.000 1.155 456 G CA -0.368 44.777 45.100 0.075 0.000 0.917 456 G HN 1.393 nan 8.290 nan 0.000 0.493 457 G N 0.173 108.978 108.800 0.008 0.000 2.157 457 G HA2 -0.223 3.651 3.960 -0.143 0.000 0.248 457 G HA3 -0.223 3.651 3.960 -0.143 0.000 0.248 457 G C 0.861 175.723 174.900 -0.063 0.000 0.979 457 G CA 0.725 45.804 45.100 -0.034 0.000 0.650 457 G HN 0.540 nan 8.290 nan 0.000 0.529 458 M N -0.205 119.371 119.600 -0.040 0.000 2.347 458 M HA 0.672 5.066 4.480 -0.143 0.000 0.324 458 M C 0.718 176.980 176.300 -0.064 0.000 1.028 458 M CA 0.640 55.889 55.300 -0.085 0.000 0.988 458 M CB 0.209 32.735 32.600 -0.124 0.000 1.528 458 M HN 1.209 nan 8.290 nan 0.000 0.550 459 A N 0.488 123.288 122.820 -0.035 0.000 2.467 459 A HA 0.486 4.720 4.320 -0.143 0.000 0.301 459 A C -0.670 176.919 177.584 0.009 0.000 1.126 459 A CA -0.330 51.700 52.037 -0.012 0.000 0.632 459 A CB 0.144 19.154 19.000 0.017 0.000 1.331 459 A HN 0.241 nan 8.150 nan 0.000 0.482 460 D N 0.008 120.434 120.400 0.042 0.000 2.324 460 D HA 0.149 4.704 4.640 -0.143 0.000 0.235 460 D C 0.467 176.868 176.300 0.169 0.000 1.095 460 D CA 0.422 54.494 54.000 0.121 0.000 0.871 460 D CB -0.224 40.641 40.800 0.109 0.000 0.906 460 D HN 0.748 nan 8.370 nan 0.000 0.522 461 R N -2.657 117.883 120.500 0.066 0.000 2.728 461 R HA 0.359 4.613 4.340 -0.143 0.000 0.274 461 R C -1.313 174.954 176.300 -0.055 0.000 1.030 461 R CA -0.811 55.281 56.100 -0.013 0.000 0.876 461 R CB -0.208 30.129 30.300 0.062 0.000 1.259 461 R HN -0.206 nan 8.270 nan 0.000 0.468 462 T N 2.780 117.209 114.554 -0.209 0.000 2.867 462 T HA 0.291 4.555 4.350 -0.143 0.000 0.297 462 T C 0.544 175.293 174.700 0.082 0.000 0.989 462 T CA -0.002 62.036 62.100 -0.103 0.000 1.159 462 T CB -0.254 68.466 68.868 -0.246 0.000 0.928 462 T HN 0.409 nan 8.240 nan 0.000 0.538 463 I N -0.370 120.284 120.570 0.140 0.000 2.693 463 I HA 0.783 4.867 4.170 -0.143 0.000 0.303 463 I C -0.004 176.246 176.117 0.222 0.000 1.025 463 I CA -0.991 60.423 61.300 0.190 0.000 1.086 463 I CB 2.207 40.298 38.000 0.152 0.000 1.268 463 I HN 0.408 nan 8.210 nan 0.000 0.440 464 S N 2.621 118.441 115.700 0.201 0.000 2.525 464 S HA 0.691 5.076 4.470 -0.143 0.000 0.290 464 S C 0.232 174.920 174.600 0.148 0.000 1.152 464 S CA -0.519 57.782 58.200 0.167 0.000 1.072 464 S CB 1.390 64.669 63.200 0.131 0.000 1.027 464 S HN 0.872 nan 8.310 nan 0.000 0.500 465 A N 5.637 128.566 122.820 0.182 0.000 3.077 465 A HA 0.333 4.567 4.320 -0.143 0.000 0.255 465 A C 1.124 178.736 177.584 0.048 0.000 1.728 465 A CA -0.264 51.850 52.037 0.128 0.000 1.383 465 A CB -0.918 18.201 19.000 0.199 0.000 1.097 465 A HN 0.928 nan 8.150 nan 0.000 0.634 466 L N -0.557 120.672 121.223 0.009 0.000 2.265 466 L HA -0.162 4.092 4.340 -0.143 0.000 0.215 466 L C 2.283 179.133 176.870 -0.034 0.000 1.117 466 L CA 1.250 56.067 54.840 -0.038 0.000 0.782 466 L CB -0.192 41.790 42.059 -0.128 0.000 0.914 466 L HN 0.545 nan 8.230 nan 0.000 0.441 467 K N -1.100 119.283 120.400 -0.029 0.000 2.243 467 K HA 0.010 4.244 4.320 -0.143 0.000 0.201 467 K C 1.914 178.498 176.600 -0.027 0.000 1.051 467 K CA 1.048 57.318 56.287 -0.028 0.000 0.970 467 K CB 0.110 32.591 32.500 -0.031 0.000 0.755 467 K HN 0.213 nan 8.250 nan 0.000 0.465 468 T N 0.410 114.948 114.554 -0.027 0.000 2.939 468 T HA -0.086 4.178 4.350 -0.143 0.000 0.254 468 T C 2.115 176.799 174.700 -0.027 0.000 1.041 468 T CA 1.560 63.636 62.100 -0.041 0.000 1.142 468 T CB -0.106 68.721 68.868 -0.069 0.000 0.874 468 T HN 0.388 nan 8.240 nan 0.000 0.452 469 T N 0.677 115.231 114.554 -0.001 0.000 2.857 469 T HA 0.009 4.274 4.350 -0.143 0.000 0.266 469 T C -0.801 173.919 174.700 0.034 0.000 1.048 469 T CA 0.549 62.664 62.100 0.026 0.000 1.139 469 T CB -1.544 67.358 68.868 0.056 0.000 0.874 469 T HN 0.253 nan 8.240 nan 0.000 0.455 470 P HA 0.003 nan 4.420 nan 0.000 0.218 470 P C 1.288 178.604 177.300 0.027 0.000 1.148 470 P CA 1.119 64.234 63.100 0.025 0.000 0.822 470 P CB -0.128 31.580 31.700 0.013 0.000 0.784 471 K N -0.530 119.879 120.400 0.015 0.000 2.360 471 K HA -0.118 4.117 4.320 -0.143 0.000 0.201 471 K C 1.647 178.263 176.600 0.027 0.000 1.046 471 K CA 0.881 57.176 56.287 0.013 0.000 0.945 471 K CB -0.197 32.300 32.500 -0.005 0.000 0.750 471 K HN 0.236 nan 8.250 nan 0.000 0.464 472 Q N 0.323 120.149 119.800 0.042 0.000 2.319 472 Q HA 0.133 4.387 4.340 -0.143 0.000 0.202 472 Q C 0.470 176.535 176.000 0.108 0.000 0.896 472 Q CA 0.206 56.054 55.803 0.074 0.000 0.942 472 Q CB 0.224 29.016 28.738 0.091 0.000 1.083 472 Q HN 0.323 nan 8.270 nan 0.000 0.510 473 L N 1.236 122.511 121.223 0.087 0.000 2.453 473 L HA -0.010 4.244 4.340 -0.143 0.000 0.272 473 L C 0.826 177.752 176.870 0.094 0.000 1.182 473 L CA 0.189 55.083 54.840 0.090 0.000 0.858 473 L CB 0.254 42.352 42.059 0.065 0.000 1.120 473 L HN 0.191 nan 8.230 nan 0.000 0.474 474 S N -0.137 115.630 115.700 0.111 0.000 2.981 474 S HA -0.187 4.197 4.470 -0.143 0.000 0.274 474 S C 0.422 175.104 174.600 0.137 0.000 1.297 474 S CA 1.106 59.375 58.200 0.115 0.000 1.266 474 S CB -1.030 62.220 63.200 0.083 0.000 1.542 474 S HN 0.686 nan 8.310 nan 0.000 0.674 475 K N 1.670 122.162 120.400 0.155 0.000 2.258 475 K HA 0.422 4.657 4.320 -0.143 0.000 0.264 475 K C 0.345 177.095 176.600 0.251 0.000 1.007 475 K CA -0.014 56.374 56.287 0.168 0.000 0.941 475 K CB 0.496 33.082 32.500 0.143 0.000 0.966 475 K HN 0.139 nan 8.250 nan 0.000 0.480 476 S N 1.039 116.874 115.700 0.224 0.000 2.601 476 S HA 0.092 4.477 4.470 -0.143 0.000 0.271 476 S C -0.545 174.281 174.600 0.377 0.000 1.305 476 S CA -0.747 57.625 58.200 0.286 0.000 1.022 476 S CB 0.489 63.800 63.200 0.186 0.000 0.940 476 S HN 0.518 nan 8.310 nan 0.000 0.525 477 W N 5.752 127.206 121.300 0.257 0.000 2.598 477 W HA 0.110 4.683 4.660 -0.145 0.000 0.396 477 W C -0.320 176.372 176.519 0.288 0.000 1.142 477 W CA -0.070 57.467 57.345 0.319 0.000 1.568 477 W CB -0.752 28.875 29.460 0.278 0.000 1.637 477 W HN 0.819 nan 8.180 nan 0.000 0.417 478 N N 0.808 119.634 118.700 0.210 0.000 3.204 478 N HA 0.090 4.744 4.740 -0.143 0.000 0.285 478 N C 0.371 175.958 175.510 0.129 0.000 1.536 478 N CA -0.551 52.633 53.050 0.223 0.000 0.832 478 N CB 0.419 38.993 38.487 0.145 0.000 1.645 478 N HN 0.021 nan 8.380 nan 0.000 0.586 479 E N -0.149 120.114 120.200 0.105 0.000 2.110 479 E HA -0.223 4.041 4.350 -0.143 0.000 0.193 479 E C 1.282 177.831 176.600 -0.084 0.000 0.988 479 E CA 1.973 58.368 56.400 -0.008 0.000 0.804 479 E CB -0.134 29.601 29.700 0.058 0.000 0.745 479 E HN 0.732 nan 8.360 nan 0.000 0.458 480 E N 0.482 120.663 120.200 -0.033 0.000 2.153 480 E HA -0.219 4.045 4.350 -0.143 0.000 0.194 480 E C 2.290 178.844 176.600 -0.078 0.000 0.988 480 E CA 1.243 57.617 56.400 -0.043 0.000 0.811 480 E CB -0.526 29.169 29.700 -0.008 0.000 0.746 480 E HN 0.467 nan 8.360 nan 0.000 0.466 481 L N 0.533 121.700 121.223 -0.094 0.000 2.056 481 L HA -0.097 4.157 4.340 -0.143 0.000 0.207 481 L C 2.598 179.339 176.870 -0.215 0.000 1.078 481 L CA 0.909 55.674 54.840 -0.125 0.000 0.749 481 L CB -0.214 41.779 42.059 -0.110 0.000 0.901 481 L HN 0.271 nan 8.230 nan 0.000 0.433 482 L N -0.147 120.840 121.223 -0.394 0.000 2.012 482 L HA -0.238 4.016 4.340 -0.143 0.000 0.210 482 L C 2.525 179.305 176.870 -0.150 0.000 1.073 482 L CA 1.769 56.373 54.840 -0.392 0.000 0.748 482 L CB -0.685 40.849 42.059 -0.875 0.000 0.891 482 L HN 0.335 nan 8.230 nan 0.000 0.431 483 Q N -0.793 118.920 119.800 -0.144 0.000 2.119 483 Q HA -0.144 4.110 4.340 -0.143 0.000 0.201 483 Q C 2.507 178.451 176.000 -0.093 0.000 0.972 483 Q CA 1.535 57.281 55.803 -0.097 0.000 0.847 483 Q CB -0.597 28.089 28.738 -0.087 0.000 0.903 483 Q HN 0.660 nan 8.270 nan 0.000 0.433 484 S N 0.071 115.709 115.700 -0.103 0.000 2.355 484 S HA -0.095 4.289 4.470 -0.143 0.000 0.222 484 S C 2.072 176.591 174.600 -0.136 0.000 1.031 484 S CA 1.155 59.297 58.200 -0.096 0.000 0.993 484 S CB -0.085 63.068 63.200 -0.078 0.000 0.859 484 S HN 0.165 nan 8.310 nan 0.000 0.453 485 V N 1.281 121.071 119.914 -0.207 0.000 2.295 485 V HA -0.217 3.817 4.120 -0.143 0.000 0.246 485 V C 2.698 178.622 176.094 -0.283 0.000 1.049 485 V CA 1.932 64.015 62.300 -0.362 0.000 1.024 485 V CB -1.123 30.216 31.823 -0.806 0.000 0.648 485 V HN 0.669 nan 8.190 nan 0.000 0.447 486 C N 0.277 119.481 119.300 -0.159 0.000 2.413 486 C HA -0.106 4.268 4.460 -0.143 0.000 0.276 486 C C 3.116 178.065 174.990 -0.068 0.000 1.248 486 C CA 0.829 59.819 59.018 -0.046 0.000 1.742 486 C CB -1.391 26.401 27.740 0.086 0.000 2.017 486 C HN 0.640 nan 8.230 nan 0.000 0.481 487 A N 0.745 123.518 122.820 -0.078 0.000 1.902 487 A HA 0.075 4.309 4.320 -0.143 0.000 0.217 487 A C 2.385 179.920 177.584 -0.082 0.000 1.181 487 A CA 2.094 54.087 52.037 -0.073 0.000 0.623 487 A CB -1.239 17.720 19.000 -0.067 0.000 0.818 487 A HN 0.551 nan 8.150 nan 0.000 0.443 488 G N 0.058 108.799 108.800 -0.098 0.000 2.459 488 G HA2 -0.204 3.670 3.960 -0.143 0.000 0.217 488 G HA3 -0.204 3.670 3.960 -0.143 0.000 0.217 488 G C 1.554 176.390 174.900 -0.106 0.000 1.183 488 G CA 1.095 46.137 45.100 -0.096 0.000 0.776 488 G HN 0.431 nan 8.290 nan 0.000 0.552 489 L N 0.782 121.925 121.223 -0.133 0.000 2.042 489 L HA -0.120 4.134 4.340 -0.143 0.000 0.210 489 L C 3.406 180.185 176.870 -0.151 0.000 1.076 489 L CA 1.115 55.861 54.840 -0.157 0.000 0.749 489 L CB -0.473 41.480 42.059 -0.176 0.000 0.893 489 L HN 0.323 nan 8.230 nan 0.000 0.432 490 A N -0.418 122.333 122.820 -0.116 0.000 1.972 490 A HA -0.236 3.999 4.320 -0.143 0.000 0.219 490 A C 2.311 179.840 177.584 -0.091 0.000 1.169 490 A CA 1.862 53.839 52.037 -0.099 0.000 0.635 490 A CB -0.386 18.572 19.000 -0.071 0.000 0.810 490 A HN 0.546 nan 8.150 nan 0.000 0.446 491 E N -0.587 119.563 120.200 -0.084 0.000 2.140 491 E HA -0.117 4.147 4.350 -0.143 0.000 0.191 491 E C 1.929 178.484 176.600 -0.074 0.000 0.973 491 E CA 0.824 57.182 56.400 -0.070 0.000 0.829 491 E CB -0.151 29.514 29.700 -0.058 0.000 0.781 491 E HN 0.718 nan 8.360 nan 0.000 0.466 492 E N 0.320 120.469 120.200 -0.086 0.000 2.107 492 E HA -0.053 4.211 4.350 -0.143 0.000 0.191 492 E C 0.828 177.368 176.600 -0.101 0.000 0.982 492 E CA 0.478 56.829 56.400 -0.082 0.000 0.809 492 E CB 0.211 29.865 29.700 -0.076 0.000 0.756 492 E HN 0.253 nan 8.360 nan 0.000 0.459 493 L N 3.428 124.563 121.223 -0.146 0.000 2.923 493 L HA 0.175 4.429 4.340 -0.143 0.000 0.231 493 L C 0.186 176.964 176.870 -0.154 0.000 1.300 493 L CA -0.686 54.042 54.840 -0.187 0.000 1.184 493 L CB 0.205 42.066 42.059 -0.329 0.000 1.511 493 L HN 0.177 nan 8.230 nan 0.000 0.448 494 Q N 1.681 121.417 119.800 -0.107 0.000 2.394 494 Q HA 0.430 4.684 4.340 -0.143 0.000 0.248 494 Q C -1.160 174.790 176.000 -0.084 0.000 0.992 494 Q CA 0.044 55.795 55.803 -0.087 0.000 0.888 494 Q CB 2.055 30.756 28.738 -0.062 0.000 1.257 494 Q HN 0.400 nan 8.270 nan 0.000 0.462 495 L N 1.394 122.571 121.223 -0.076 0.000 2.408 495 L HA 0.642 4.896 4.340 -0.143 0.000 0.268 495 L C -0.301 176.539 176.870 -0.050 0.000 0.986 495 L CA -1.125 53.672 54.840 -0.071 0.000 0.820 495 L CB 2.111 44.118 42.059 -0.086 0.000 1.303 495 L HN 0.883 nan 8.230 nan 0.000 0.411 496 A N 3.432 126.227 122.820 -0.041 0.000 2.386 496 A HA 0.431 4.665 4.320 -0.143 0.000 0.248 496 A C -1.702 175.873 177.584 -0.016 0.000 1.082 496 A CA -0.990 51.032 52.037 -0.025 0.000 0.789 496 A CB -0.031 18.958 19.000 -0.018 0.000 1.025 496 A HN 0.650 nan 8.150 nan 0.000 0.490 497 P HA -0.189 nan 4.420 nan 0.000 0.217 497 P C 0.488 177.808 177.300 0.033 0.000 1.151 497 P CA 1.831 64.939 63.100 0.014 0.000 0.849 497 P CB 0.023 31.734 31.700 0.018 0.000 0.787 498 D N -1.409 119.011 120.400 0.033 0.000 2.325 498 D HA 0.123 4.678 4.640 -0.143 0.000 0.234 498 D C 0.324 176.648 176.300 0.041 0.000 1.122 498 D CA -0.347 53.691 54.000 0.063 0.000 0.850 498 D CB -0.873 39.962 40.800 0.059 0.000 0.921 498 D HN 0.020 nan 8.370 nan 0.000 0.513 499 A N 1.378 124.189 122.820 -0.015 0.000 2.531 499 A HA 0.342 4.576 4.320 -0.143 0.000 0.236 499 A C -2.192 175.289 177.584 -0.171 0.000 1.062 499 A CA -0.859 51.128 52.037 -0.083 0.000 0.760 499 A CB -0.225 18.710 19.000 -0.107 0.000 0.995 499 A HN 0.092 nan 8.150 nan 0.000 0.501 500 P HA 0.288 nan 4.420 nan 0.000 0.265 500 P C 1.069 177.827 177.300 -0.903 0.000 1.193 500 P CA 1.623 64.416 63.100 -0.512 0.000 0.765 500 P CB 0.733 32.231 31.700 -0.338 0.000 0.823 501 G N 1.652 109.237 108.800 -2.025 0.000 2.217 501 G HA2 -0.058 3.816 3.960 -0.143 0.000 0.246 501 G HA3 -0.058 3.816 3.960 -0.143 0.000 0.246 501 G C 0.710 175.023 174.900 -0.978 0.000 0.990 501 G CA 0.270 44.259 45.100 -1.851 0.000 0.627 501 G HN 0.968 nan 8.290 nan 0.000 0.522 502 G N 0.211 108.721 108.800 -0.483 0.000 2.574 502 G HA2 -0.057 3.817 3.960 -0.143 0.000 0.282 502 G HA3 -0.057 3.817 3.960 -0.143 0.000 0.282 502 G C 0.834 175.677 174.900 -0.094 0.000 1.257 502 G CA 1.115 46.161 45.100 -0.090 0.000 0.956 502 G HN 1.827 nan 8.290 nan 0.000 0.560 503 M N -1.606 118.001 119.600 0.011 0.000 2.302 503 M HA -0.220 4.175 4.480 -0.143 0.000 0.200 503 M C 1.382 177.714 176.300 0.053 0.000 0.366 503 M CA 0.620 55.970 55.300 0.083 0.000 0.440 503 M CB -2.035 30.661 32.600 0.160 0.000 1.475 503 M HN 0.587 nan 8.290 nan 0.000 0.905 504 V N -0.304 119.618 119.914 0.013 0.000 2.358 504 V HA -0.219 3.815 4.120 -0.143 0.000 0.246 504 V C 2.171 178.258 176.094 -0.012 0.000 1.047 504 V CA 2.472 64.757 62.300 -0.026 0.000 1.035 504 V CB -0.267 31.540 31.823 -0.026 0.000 0.658 504 V HN 0.584 nan 8.190 nan 0.000 0.452 505 E N -0.533 119.686 120.200 0.031 0.000 2.077 505 E HA -0.237 4.027 4.350 -0.143 0.000 0.193 505 E C 2.077 178.725 176.600 0.080 0.000 0.989 505 E CA 1.568 57.992 56.400 0.040 0.000 0.800 505 E CB -0.233 29.500 29.700 0.054 0.000 0.746 505 E HN 0.575 nan 8.360 nan 0.000 0.452 506 F N 2.002 121.916 119.950 -0.060 0.000 2.102 506 F HA -0.142 4.298 4.527 -0.145 0.000 0.298 506 F C 2.156 177.881 175.800 -0.124 0.000 1.105 506 F CA 1.535 59.489 58.000 -0.077 0.000 1.239 506 F CB -0.159 38.809 39.000 -0.053 0.000 0.991 506 F HN -0.197 nan 8.300 nan 0.000 0.474 507 R N -0.072 120.269 120.500 -0.265 0.000 2.081 507 R HA -0.133 4.121 4.340 -0.143 0.000 0.235 507 R C 2.391 178.479 176.300 -0.352 0.000 1.131 507 R CA 1.718 57.571 56.100 -0.412 0.000 0.960 507 R CB -0.365 29.780 30.300 -0.259 0.000 0.856 507 R HN 0.286 nan 8.270 nan 0.000 0.436 508 R N -0.508 119.855 120.500 -0.229 0.000 2.092 508 R HA -0.052 4.202 4.340 -0.143 0.000 0.231 508 R C 2.227 178.392 176.300 -0.224 0.000 1.119 508 R CA 1.636 57.604 56.100 -0.220 0.000 0.970 508 R CB -0.259 29.955 30.300 -0.143 0.000 0.864 508 R HN 0.174 nan 8.270 nan 0.000 0.440 509 T N 1.404 115.852 114.554 -0.177 0.000 2.821 509 T HA -0.061 4.203 4.350 -0.143 0.000 0.267 509 T C 1.793 176.315 174.700 -0.297 0.000 1.046 509 T CA 0.912 62.930 62.100 -0.137 0.000 1.139 509 T CB -0.066 68.790 68.868 -0.020 0.000 0.871 509 T HN 0.126 nan 8.240 nan 0.000 0.454 510 L N 1.286 122.215 121.223 -0.490 0.000 2.083 510 L HA -0.122 4.132 4.340 -0.143 0.000 0.209 510 L C 3.096 179.457 176.870 -0.848 0.000 1.083 510 L CA 1.609 55.948 54.840 -0.836 0.000 0.752 510 L CB -1.096 40.307 42.059 -1.094 0.000 0.899 510 L HN 0.464 nan 8.230 nan 0.000 0.433 511 T N -1.824 112.419 114.554 -0.518 0.000 2.720 511 T HA -0.193 4.072 4.350 -0.143 0.000 0.268 511 T C 1.822 176.445 174.700 -0.128 0.000 1.037 511 T CA 1.104 63.034 62.100 -0.282 0.000 1.144 511 T CB -0.531 68.003 68.868 -0.557 0.000 0.864 511 T HN 0.227 nan 8.240 nan 0.000 0.444 512 L N 0.836 121.940 121.223 -0.199 0.000 2.109 512 L HA -0.001 4.253 4.340 -0.143 0.000 0.207 512 L C 3.121 179.795 176.870 -0.328 0.000 1.086 512 L CA 1.261 56.029 54.840 -0.121 0.000 0.760 512 L CB -0.820 41.213 42.059 -0.044 0.000 0.910 512 L HN 0.336 nan 8.230 nan 0.000 0.437 513 S N -0.100 115.307 115.700 -0.487 0.000 2.383 513 S HA -0.077 4.308 4.470 -0.143 0.000 0.227 513 S C 1.823 176.214 174.600 -0.349 0.000 1.026 513 S CA 0.975 58.823 58.200 -0.587 0.000 0.981 513 S CB -0.231 62.695 63.200 -0.456 0.000 0.818 513 S HN 0.195 nan 8.310 nan 0.000 0.472 514 F N 1.067 120.762 119.950 -0.425 0.000 2.134 514 F HA 0.015 4.454 4.527 -0.147 0.000 0.299 514 F C 1.990 177.443 175.800 -0.577 0.000 1.097 514 F CA -0.135 57.385 58.000 -0.800 0.000 1.264 514 F CB -1.336 37.238 39.000 -0.709 0.000 1.001 514 F HN 0.191 nan 8.300 nan 0.000 0.479 515 F N -0.123 119.811 119.950 -0.027 0.000 2.126 515 F HA -0.261 4.181 4.527 -0.142 0.000 0.299 515 F C 2.434 178.360 175.800 0.210 0.000 1.096 515 F CA 1.161 59.256 58.000 0.158 0.000 1.255 515 F CB -0.885 38.224 39.000 0.182 0.000 0.997 515 F HN -0.042 nan 8.300 nan 0.000 0.479 516 F N 1.537 121.326 119.950 -0.269 0.000 2.095 516 F HA -0.201 4.238 4.527 -0.147 0.000 0.298 516 F C 2.280 177.955 175.800 -0.210 0.000 1.104 516 F CA 1.978 59.794 58.000 -0.307 0.000 1.232 516 F CB -0.751 37.843 39.000 -0.677 0.000 0.987 516 F HN -0.102 nan 8.300 nan 0.000 0.475 517 K N -0.933 119.273 120.400 -0.325 0.000 2.063 517 K HA -0.233 4.001 4.320 -0.143 0.000 0.208 517 K C 2.132 178.729 176.600 -0.006 0.000 1.048 517 K CA 1.820 57.963 56.287 -0.241 0.000 0.928 517 K CB -0.741 31.698 32.500 -0.102 0.000 0.713 517 K HN 0.339 nan 8.250 nan 0.000 0.442 518 F N 0.887 120.782 119.950 -0.092 0.000 2.146 518 F HA -0.240 4.200 4.527 -0.145 0.000 0.298 518 F C 2.228 178.029 175.800 0.001 0.000 1.096 518 F CA 1.122 59.150 58.000 0.046 0.000 1.275 518 F CB -0.646 38.392 39.000 0.064 0.000 1.008 518 F HN 0.031 nan 8.300 nan 0.000 0.480 519 Y N 0.909 121.017 120.300 -0.320 0.000 2.081 519 Y HA -0.261 4.202 4.550 -0.145 0.000 0.280 519 Y C 2.068 177.974 175.900 0.009 0.000 1.163 519 Y CA 2.311 60.320 58.100 -0.152 0.000 1.135 519 Y CB -0.725 37.519 38.460 -0.360 0.000 0.970 519 Y HN 0.128 nan 8.280 nan 0.000 0.498 520 L N -1.137 119.908 121.223 -0.297 0.000 2.093 520 L HA -0.203 4.051 4.340 -0.143 0.000 0.208 520 L C 2.311 179.034 176.870 -0.246 0.000 1.085 520 L CA 1.678 56.333 54.840 -0.309 0.000 0.755 520 L CB -1.035 40.820 42.059 -0.340 0.000 0.904 520 L HN 0.193 nan 8.230 nan 0.000 0.435 521 T N -0.339 114.092 114.554 -0.204 0.000 2.746 521 T HA -0.150 4.114 4.350 -0.143 0.000 0.267 521 T C 2.037 176.535 174.700 -0.337 0.000 1.039 521 T CA 1.326 63.311 62.100 -0.192 0.000 1.142 521 T CB -0.239 68.590 68.868 -0.064 0.000 0.866 521 T HN 0.056 nan 8.240 nan 0.000 0.444 522 V N 1.491 121.140 119.914 -0.442 0.000 2.343 522 V HA -0.103 3.931 4.120 -0.143 0.000 0.247 522 V C 2.495 178.264 176.094 -0.543 0.000 1.051 522 V CA 1.335 63.248 62.300 -0.645 0.000 1.036 522 V CB -0.710 30.534 31.823 -0.966 0.000 0.654 522 V HN 0.436 nan 8.190 nan 0.000 0.451 523 L N -0.490 120.524 121.223 -0.348 0.000 2.042 523 L HA -0.286 3.968 4.340 -0.143 0.000 0.210 523 L C 2.728 179.435 176.870 -0.271 0.000 1.076 523 L CA 1.852 56.538 54.840 -0.256 0.000 0.749 523 L CB -0.636 41.285 42.059 -0.230 0.000 0.893 523 L HN 0.397 nan 8.230 nan 0.000 0.432 524 Q N -0.130 119.509 119.800 -0.269 0.000 2.084 524 Q HA -0.225 4.030 4.340 -0.143 0.000 0.202 524 Q C 2.251 178.067 176.000 -0.306 0.000 0.978 524 Q CA 1.448 57.112 55.803 -0.233 0.000 0.844 524 Q CB -0.080 28.552 28.738 -0.178 0.000 0.898 524 Q HN 0.463 nan 8.270 nan 0.000 0.426 525 K N 0.617 120.731 120.400 -0.477 0.000 2.057 525 K HA -0.111 4.123 4.320 -0.143 0.000 0.207 525 K C 2.110 178.360 176.600 -0.584 0.000 1.049 525 K CA 0.948 56.827 56.287 -0.680 0.000 0.931 525 K CB -0.142 31.563 32.500 -1.325 0.000 0.714 525 K HN 0.136 nan 8.250 nan 0.000 0.440 526 L N 0.202 121.107 121.223 -0.531 0.000 2.043 526 L HA -0.198 4.056 4.340 -0.143 0.000 0.212 526 L C 2.539 179.282 176.870 -0.212 0.000 1.075 526 L CA 1.534 56.180 54.840 -0.323 0.000 0.752 526 L CB -0.899 40.937 42.059 -0.372 0.000 0.891 526 L HN 0.394 nan 8.230 nan 0.000 0.432 527 G N -0.458 108.221 108.800 -0.203 0.000 2.418 527 G HA2 -0.236 3.638 3.960 -0.143 0.000 0.217 527 G HA3 -0.236 3.638 3.960 -0.143 0.000 0.217 527 G C 1.725 176.555 174.900 -0.117 0.000 1.158 527 G CA 0.405 45.421 45.100 -0.139 0.000 0.771 527 G HN 0.296 nan 8.290 nan 0.000 0.545 528 R N 0.363 120.779 120.500 -0.140 0.000 2.189 528 R HA 0.112 4.366 4.340 -0.143 0.000 0.218 528 R C 2.480 178.741 176.300 -0.064 0.000 1.074 528 R CA 0.770 56.811 56.100 -0.099 0.000 0.991 528 R CB -0.111 30.124 30.300 -0.107 0.000 0.883 528 R HN 0.343 nan 8.270 nan 0.000 0.457 529 A N 0.761 123.544 122.820 -0.062 0.000 2.278 529 A HA 0.030 4.264 4.320 -0.143 0.000 0.212 529 A C -0.288 177.275 177.584 -0.034 0.000 1.213 529 A CA 0.070 52.098 52.037 -0.016 0.000 0.840 529 A CB 0.247 19.274 19.000 0.045 0.000 0.866 529 A HN 0.242 nan 8.150 nan 0.000 0.489 530 D N -2.357 118.012 120.400 -0.052 0.000 2.988 530 D HA -0.129 4.426 4.640 -0.143 0.000 0.221 530 D C -0.119 176.149 176.300 -0.054 0.000 1.122 530 D CA 0.556 54.528 54.000 -0.048 0.000 0.821 530 D CB -1.292 39.489 40.800 -0.033 0.000 1.098 530 D HN 0.337 nan 8.370 nan 0.000 0.433 531 L N 0.225 121.402 121.223 -0.077 0.000 2.910 531 L HA 0.205 4.459 4.340 -0.143 0.000 0.252 531 L C 1.980 178.800 176.870 -0.083 0.000 1.195 531 L CA 0.209 54.998 54.840 -0.085 0.000 1.003 531 L CB 0.231 42.215 42.059 -0.126 0.000 1.328 531 L HN 0.017 nan 8.230 nan 0.000 0.540 532 E N 0.188 120.344 120.200 -0.074 0.000 2.130 532 E HA -0.245 4.019 4.350 -0.143 0.000 0.196 532 E C 1.121 177.694 176.600 -0.046 0.000 0.998 532 E CA 1.651 58.012 56.400 -0.065 0.000 0.806 532 E CB 0.325 29.989 29.700 -0.060 0.000 0.738 532 E HN 0.416 nan 8.360 nan 0.000 0.459 533 D N -0.423 119.954 120.400 -0.038 0.000 2.219 533 D HA -0.141 4.413 4.640 -0.143 0.000 0.205 533 D C 1.770 178.058 176.300 -0.020 0.000 0.970 533 D CA 0.963 54.948 54.000 -0.025 0.000 0.851 533 D CB -0.032 40.755 40.800 -0.020 0.000 0.943 533 D HN 0.358 nan 8.370 nan 0.000 0.488 534 M N -0.222 119.361 119.600 -0.027 0.000 2.325 534 M HA -0.054 4.340 4.480 -0.143 0.000 0.265 534 M C 2.338 178.637 176.300 -0.003 0.000 1.094 534 M CA 0.898 56.189 55.300 -0.016 0.000 1.161 534 M CB 0.264 32.846 32.600 -0.029 0.000 1.358 534 M HN 0.205 nan 8.290 nan 0.000 0.446 535 C N -0.777 118.512 119.300 -0.019 0.000 2.735 535 C HA 0.619 4.993 4.460 -0.143 0.000 0.271 535 C C 1.176 176.169 174.990 0.005 0.000 1.281 535 C CA -0.110 58.913 59.018 0.009 0.000 1.719 535 C CB -0.948 26.782 27.740 -0.018 0.000 2.024 535 C HN 0.660 nan 8.230 nan 0.000 0.566 536 G N 0.851 109.640 108.800 -0.019 0.000 2.663 536 G HA2 0.023 3.897 3.960 -0.143 0.000 0.686 536 G HA3 0.023 3.897 3.960 -0.143 0.000 0.686 536 G C -1.063 173.808 174.900 -0.047 0.000 1.246 536 G CA -0.789 44.297 45.100 -0.024 0.000 0.795 536 G HN 0.639 nan 8.290 nan 0.000 0.627 537 K N -0.354 120.015 120.400 -0.050 0.000 2.185 537 K HA 0.497 4.731 4.320 -0.143 0.000 0.271 537 K C 0.391 176.944 176.600 -0.078 0.000 1.013 537 K CA -0.730 55.520 56.287 -0.061 0.000 0.943 537 K CB 1.263 33.733 32.500 -0.050 0.000 0.998 537 K HN 0.481 nan 8.250 nan 0.000 0.468 538 L N 2.916 124.091 121.223 -0.080 0.000 2.331 538 L HA 0.056 4.310 4.340 -0.143 0.000 0.278 538 L C -0.154 176.661 176.870 -0.091 0.000 1.106 538 L CA 0.027 54.810 54.840 -0.095 0.000 0.824 538 L CB 0.599 42.624 42.059 -0.057 0.000 1.142 538 L HN 0.523 nan 8.230 nan 0.000 0.443 539 D N 7.276 127.562 120.400 -0.190 0.000 2.531 539 D HA -0.019 4.535 4.640 -0.143 0.000 0.239 539 D C -1.660 174.662 176.300 0.035 0.000 1.144 539 D CA -1.223 52.693 54.000 -0.140 0.000 0.869 539 D CB 1.282 41.861 40.800 -0.368 0.000 1.160 539 D HN 0.442 nan 8.370 nan 0.000 0.484 540 P HA -0.136 nan 4.420 nan 0.000 0.225 540 P C 1.030 178.407 177.300 0.127 0.000 1.148 540 P CA 1.060 64.204 63.100 0.072 0.000 0.779 540 P CB -0.165 31.554 31.700 0.031 0.000 0.780 541 T N -5.348 109.322 114.554 0.193 0.000 3.118 541 T HA 0.016 4.280 4.350 -0.143 0.000 0.260 541 T C 1.184 176.112 174.700 0.379 0.000 1.139 541 T CA 0.422 62.643 62.100 0.201 0.000 1.085 541 T CB -0.847 68.118 68.868 0.161 0.000 0.934 541 T HN -0.111 nan 8.240 nan 0.000 0.518 542 F N 0.989 121.038 119.950 0.165 0.000 2.731 542 F HA 0.623 5.067 4.527 -0.139 0.000 0.298 542 F C 2.473 178.386 175.800 0.189 0.000 1.106 542 F CA -1.061 57.130 58.000 0.317 0.000 1.329 542 F CB -0.618 38.569 39.000 0.313 0.000 1.100 542 F HN 0.236 nan 8.300 nan 0.000 0.592 543 A N 0.234 123.219 122.820 0.276 0.000 1.908 543 A HA -0.227 4.007 4.320 -0.143 0.000 0.218 543 A C 2.372 180.037 177.584 0.134 0.000 1.181 543 A CA 2.246 54.373 52.037 0.152 0.000 0.627 543 A CB -1.144 17.909 19.000 0.088 0.000 0.818 543 A HN 0.365 nan 8.150 nan 0.000 0.445 544 S N 0.009 115.797 115.700 0.146 0.000 2.474 544 S HA 0.109 4.493 4.470 -0.143 0.000 0.235 544 S C 1.933 176.639 174.600 0.177 0.000 0.997 544 S CA 1.092 59.379 58.200 0.145 0.000 0.949 544 S CB -0.604 62.681 63.200 0.141 0.000 0.766 544 S HN 0.933 nan 8.310 nan 0.000 0.517 545 A N 2.114 125.053 122.820 0.198 0.000 2.032 545 A HA -0.089 4.145 4.320 -0.143 0.000 0.221 545 A C 2.405 180.034 177.584 0.075 0.000 1.165 545 A CA 2.011 54.127 52.037 0.133 0.000 0.645 545 A CB -1.322 17.663 19.000 -0.024 0.000 0.807 545 A HN 0.808 nan 8.150 nan 0.000 0.453 546 T N -3.007 111.587 114.554 0.067 0.000 3.069 546 T HA 0.482 4.746 4.350 -0.143 0.000 0.252 546 T C 0.351 175.106 174.700 0.091 0.000 1.053 546 T CA -0.368 61.768 62.100 0.061 0.000 0.964 546 T CB -0.425 68.447 68.868 0.007 0.000 1.005 546 T HN 0.190 nan 8.240 nan 0.000 0.532 547 L N 2.163 123.450 121.223 0.107 0.000 2.416 547 L HA 0.375 4.629 4.340 -0.143 0.000 0.272 547 L C 0.471 177.424 176.870 0.137 0.000 1.161 547 L CA -0.734 54.167 54.840 0.101 0.000 0.845 547 L CB 0.698 42.816 42.059 0.098 0.000 1.119 547 L HN 0.180 nan 8.230 nan 0.000 0.464 548 L N 2.675 123.973 121.223 0.125 0.000 2.439 548 L HA 0.147 4.401 4.340 -0.143 0.000 0.269 548 L C 0.119 177.122 176.870 0.222 0.000 1.179 548 L CA -0.245 54.704 54.840 0.182 0.000 0.828 548 L CB 0.405 42.547 42.059 0.139 0.000 1.106 548 L HN 0.408 nan 8.230 nan 0.000 0.467 549 F N 2.885 122.960 119.950 0.209 0.000 2.578 549 F HA 0.148 4.584 4.527 -0.151 0.000 0.376 549 F C 0.296 176.220 175.800 0.206 0.000 1.085 549 F CA 0.203 58.338 58.000 0.226 0.000 1.260 549 F CB 0.470 39.661 39.000 0.317 0.000 1.095 549 F HN 0.478 nan 8.300 nan 0.000 0.573 550 Q N 5.167 124.579 119.800 -0.647 0.000 2.340 550 Q HA 0.421 4.675 4.340 -0.143 0.000 0.276 550 Q C -2.018 173.641 176.000 -0.569 0.000 1.048 550 Q CA -0.889 54.682 55.803 -0.387 0.000 0.832 550 Q CB 1.664 30.315 28.738 -0.145 0.000 1.373 550 Q HN 0.684 nan 8.270 nan 0.000 0.409 551 K N 2.350 122.583 120.400 -0.279 0.000 2.259 551 K HA 0.399 4.633 4.320 -0.143 0.000 0.252 551 K C -1.098 175.480 176.600 -0.036 0.000 0.936 551 K CA -1.056 55.146 56.287 -0.143 0.000 0.810 551 K CB 1.304 33.823 32.500 0.031 0.000 1.143 551 K HN 0.706 nan 8.250 nan 0.000 0.427 552 D N 2.989 123.378 120.400 -0.018 0.000 2.406 552 D HA 0.033 4.587 4.640 -0.143 0.000 0.234 552 D C -2.159 174.171 176.300 0.050 0.000 1.196 552 D CA -0.811 53.200 54.000 0.017 0.000 0.881 552 D CB 0.115 40.927 40.800 0.019 0.000 1.205 552 D HN 0.199 nan 8.370 nan 0.000 0.453 553 P HA 0.250 nan 4.420 nan 0.000 0.274 553 P C -2.524 174.833 177.300 0.095 0.000 1.237 553 P CA -1.070 62.080 63.100 0.083 0.000 0.793 553 P CB -0.275 31.471 31.700 0.077 0.000 0.977 554 P HA 0.388 nan 4.420 nan 0.000 0.274 554 P C -1.116 176.259 177.300 0.124 0.000 1.231 554 P CA -0.101 63.082 63.100 0.138 0.000 0.790 554 P CB 0.493 32.300 31.700 0.178 0.000 0.951 555 A N 2.207 125.102 122.820 0.124 0.000 2.408 555 A HA 0.616 4.850 4.320 -0.143 0.000 0.295 555 A C -1.094 176.561 177.584 0.119 0.000 1.040 555 A CA -0.528 51.572 52.037 0.105 0.000 0.707 555 A CB 0.865 19.913 19.000 0.079 0.000 1.235 555 A HN 0.481 nan 8.150 nan 0.000 0.418 556 N N 0.412 119.176 118.700 0.107 0.000 2.265 556 N HA 0.691 5.345 4.740 -0.143 0.000 0.300 556 N C -1.427 174.114 175.510 0.052 0.000 1.148 556 N CA -0.406 52.703 53.050 0.098 0.000 0.772 556 N CB 2.333 40.885 38.487 0.107 0.000 1.434 556 N HN 0.332 nan 8.380 nan 0.000 0.481 557 V N 1.556 121.482 119.914 0.021 0.000 2.686 557 V HA 0.374 4.409 4.120 -0.143 0.000 0.306 557 V C -1.089 174.996 176.094 -0.015 0.000 1.065 557 V CA -0.686 61.617 62.300 0.005 0.000 0.894 557 V CB 1.989 33.814 31.823 0.004 0.000 1.004 557 V HN 0.543 nan 8.190 nan 0.000 0.424 558 Q N 4.509 124.316 119.800 0.013 0.000 2.327 558 Q HA 0.713 4.968 4.340 -0.143 0.000 0.270 558 Q C -1.248 174.820 176.000 0.113 0.000 1.022 558 Q CA -0.107 55.722 55.803 0.043 0.000 0.773 558 Q CB 2.362 31.137 28.738 0.062 0.000 1.251 558 Q HN 0.630 nan 8.270 nan 0.000 0.457 559 L N 4.512 125.792 121.223 0.095 0.000 2.341 559 L HA 0.757 5.011 4.340 -0.143 0.000 0.278 559 L C -0.724 176.248 176.870 0.169 0.000 1.005 559 L CA -0.914 53.959 54.840 0.055 0.000 0.818 559 L CB 0.647 42.699 42.059 -0.011 0.000 1.259 559 L HN 0.667 nan 8.230 nan 0.000 0.418 560 F N 0.174 120.098 119.950 -0.042 0.000 2.789 560 F HA 0.550 4.990 4.527 -0.145 0.000 0.319 560 F C -0.875 174.905 175.800 -0.033 0.000 1.168 560 F CA -1.134 56.842 58.000 -0.039 0.000 0.934 560 F CB 1.654 40.628 39.000 -0.044 0.000 1.375 560 F HN 0.344 nan 8.300 nan 0.000 0.480 561 Q N 1.390 121.258 119.800 0.112 0.000 2.241 561 Q HA 0.334 4.589 4.340 -0.143 0.000 0.254 561 Q C -0.766 175.239 176.000 0.009 0.000 0.917 561 Q CA -0.727 55.066 55.803 -0.017 0.000 0.919 561 Q CB 1.642 30.398 28.738 0.029 0.000 1.237 561 Q HN 0.649 nan 8.270 nan 0.000 0.434 562 E N 1.977 122.117 120.200 -0.099 0.000 2.390 562 E HA 0.160 4.424 4.350 -0.143 0.000 0.261 562 E C -0.783 175.826 176.600 0.014 0.000 1.076 562 E CA -0.379 55.999 56.400 -0.037 0.000 0.905 562 E CB 0.839 30.488 29.700 -0.086 0.000 0.984 562 E HN 0.421 nan 8.360 nan 0.000 0.427 563 V N 1.299 121.232 119.914 0.032 0.000 3.264 563 V HA 0.469 4.503 4.120 -0.143 0.000 0.304 563 V C -2.019 174.073 176.094 -0.004 0.000 1.086 563 V CA -1.656 60.652 62.300 0.013 0.000 1.090 563 V CB 0.055 31.884 31.823 0.009 0.000 1.112 563 V HN 0.715 nan 8.190 nan 0.000 0.472 564 P HA 0.096 nan 4.420 nan 0.000 0.268 564 P C 0.575 177.868 177.300 -0.012 0.000 1.208 564 P CA -0.119 62.973 63.100 -0.013 0.000 0.777 564 P CB 0.376 32.067 31.700 -0.014 0.000 0.875 565 K N 1.645 122.038 120.400 -0.012 0.000 2.211 565 K HA -0.156 4.078 4.320 -0.143 0.000 0.203 565 K C 0.372 176.967 176.600 -0.008 0.000 1.050 565 K CA 1.539 57.819 56.287 -0.011 0.000 0.945 565 K CB -0.187 32.306 32.500 -0.012 0.000 0.732 565 K HN 0.262 nan 8.250 nan 0.000 0.451 566 D N 1.139 121.534 120.400 -0.008 0.000 2.349 566 D HA -0.063 4.492 4.640 -0.143 0.000 0.224 566 D C 0.194 176.489 176.300 -0.009 0.000 1.029 566 D CA 0.366 54.362 54.000 -0.006 0.000 0.879 566 D CB 0.077 40.874 40.800 -0.005 0.000 0.906 566 D HN 0.382 nan 8.370 nan 0.000 0.528 567 Q N 1.259 121.051 119.800 -0.014 0.000 2.337 567 Q HA 0.114 4.368 4.340 -0.143 0.000 0.270 567 Q C -0.051 175.939 176.000 -0.017 0.000 1.002 567 Q CA -0.326 55.464 55.803 -0.021 0.000 0.888 567 Q CB 0.649 29.371 28.738 -0.027 0.000 1.222 567 Q HN 0.047 nan 8.270 nan 0.000 0.400 568 S N 3.226 118.915 115.700 -0.019 0.000 2.573 568 S HA 0.026 4.410 4.470 -0.143 0.000 0.277 568 S C 0.577 175.168 174.600 -0.015 0.000 1.346 568 S CA -0.727 57.465 58.200 -0.013 0.000 1.034 568 S CB 0.907 64.100 63.200 -0.013 0.000 0.879 568 S HN 0.724 nan 8.310 nan 0.000 0.528 569 E N 1.203 121.398 120.200 -0.009 0.000 2.268 569 E HA -0.085 4.179 4.350 -0.143 0.000 0.195 569 E C 1.403 177.997 176.600 -0.010 0.000 0.995 569 E CA 0.896 57.293 56.400 -0.005 0.000 0.836 569 E CB -0.171 29.529 29.700 -0.000 0.000 0.763 569 E HN 0.815 nan 8.360 nan 0.000 0.491 570 E N 0.585 120.774 120.200 -0.018 0.000 2.435 570 E HA -0.069 4.196 4.350 -0.143 0.000 0.195 570 E C 0.096 176.674 176.600 -0.038 0.000 1.029 570 E CA -0.016 56.367 56.400 -0.028 0.000 0.865 570 E CB 0.218 29.897 29.700 -0.036 0.000 0.833 570 E HN 0.011 nan 8.360 nan 0.000 0.510 571 D N 0.589 120.964 120.400 -0.041 0.000 2.380 571 D HA 0.029 4.583 4.640 -0.143 0.000 0.230 571 D C 0.664 176.933 176.300 -0.053 0.000 1.154 571 D CA -0.084 53.880 54.000 -0.061 0.000 0.859 571 D CB 0.757 41.511 40.800 -0.075 0.000 1.045 571 D HN -0.124 nan 8.370 nan 0.000 0.495 572 M N 2.750 122.321 119.600 -0.048 0.000 2.495 572 M HA 0.088 4.482 4.480 -0.143 0.000 0.237 572 M C 0.209 176.484 176.300 -0.041 0.000 1.131 572 M CA -0.050 55.231 55.300 -0.031 0.000 1.032 572 M CB -0.194 32.396 32.600 -0.017 0.000 1.513 572 M HN 0.123 nan 8.290 nan 0.000 0.488 573 V N 1.705 121.574 119.914 -0.075 0.000 2.493 573 V HA 0.306 4.340 4.120 -0.143 0.000 0.292 573 V C 1.474 177.532 176.094 -0.061 0.000 1.016 573 V CA 1.112 63.362 62.300 -0.083 0.000 1.097 573 V CB -0.074 31.639 31.823 -0.183 0.000 0.947 573 V HN 0.859 nan 8.190 nan 0.000 0.479 574 G N 4.701 113.481 108.800 -0.034 0.000 2.195 574 G HA2 -0.213 3.661 3.960 -0.143 0.000 0.246 574 G HA3 -0.213 3.661 3.960 -0.143 0.000 0.246 574 G C 0.309 175.213 174.900 0.008 0.000 0.984 574 G CA -0.043 45.051 45.100 -0.011 0.000 0.633 574 G HN 0.606 nan 8.290 nan 0.000 0.525 575 R N 0.990 121.487 120.500 -0.004 0.000 2.500 575 R HA 0.445 4.700 4.340 -0.143 0.000 0.277 575 R C -2.254 174.024 176.300 -0.038 0.000 1.026 575 R CA -1.552 54.556 56.100 0.014 0.000 1.058 575 R CB 1.247 31.561 30.300 0.024 0.000 1.078 575 R HN 0.062 nan 8.270 nan 0.000 0.509 576 P HA 0.020 nan 4.420 nan 0.000 0.220 576 P C -0.672 176.645 177.300 0.028 0.000 1.806 576 P CA -0.166 62.855 63.100 -0.131 0.000 0.976 576 P CB -0.051 31.522 31.700 -0.211 0.000 1.952 577 L N 3.267 124.506 121.223 0.028 0.000 2.410 577 L HA 0.366 4.620 4.340 -0.143 0.000 0.273 577 L C -2.359 174.608 176.870 0.162 0.000 1.144 577 L CA -1.997 52.897 54.840 0.090 0.000 0.863 577 L CB -0.204 41.879 42.059 0.040 0.000 1.140 577 L HN -0.003 nan 8.230 nan 0.000 0.463 578 P HA -0.030 nan 4.420 nan 0.000 0.268 578 P C -0.748 176.683 177.300 0.218 0.000 1.208 578 P CA -0.038 63.244 63.100 0.304 0.000 0.777 578 P CB 0.214 31.994 31.700 0.132 0.000 0.875 579 H N 2.536 121.685 119.070 0.132 0.000 3.152 579 H HA -0.066 4.404 4.556 -0.143 0.000 0.319 579 H C 1.103 176.471 175.328 0.067 0.000 0.994 579 H CA 0.809 56.904 56.048 0.078 0.000 1.370 579 H CB 0.416 30.221 29.762 0.071 0.000 1.322 579 H HN 0.372 nan 8.280 nan 0.000 0.590 580 L N 4.043 125.324 121.223 0.097 0.000 2.265 580 L HA -0.129 4.125 4.340 -0.143 0.000 0.215 580 L C 2.184 179.190 176.870 0.226 0.000 1.117 580 L CA 1.255 56.174 54.840 0.133 0.000 0.782 580 L CB -0.198 41.890 42.059 0.048 0.000 0.914 580 L HN 0.616 nan 8.230 nan 0.000 0.441 581 A N -0.877 122.213 122.820 0.449 0.000 2.387 581 A HA 0.435 4.670 4.320 -0.143 0.000 0.234 581 A C 2.227 179.884 177.584 0.121 0.000 1.253 581 A CA 0.605 52.793 52.037 0.251 0.000 0.894 581 A CB -0.121 19.024 19.000 0.242 0.000 0.963 581 A HN 0.257 nan 8.150 nan 0.000 0.508 582 A N 1.174 124.070 122.820 0.127 0.000 1.902 582 A HA -0.189 4.045 4.320 -0.143 0.000 0.217 582 A C 1.869 179.466 177.584 0.021 0.000 1.181 582 A CA 1.755 53.800 52.037 0.013 0.000 0.623 582 A CB -0.499 18.518 19.000 0.028 0.000 0.818 582 A HN 0.514 nan 8.150 nan 0.000 0.443 583 N N -0.135 118.590 118.700 0.043 0.000 2.120 583 N HA -0.131 4.523 4.740 -0.143 0.000 0.188 583 N C 1.701 177.234 175.510 0.039 0.000 1.024 583 N CA 1.779 54.850 53.050 0.035 0.000 0.852 583 N CB -0.470 38.041 38.487 0.039 0.000 1.003 583 N HN 0.569 nan 8.380 nan 0.000 0.424 584 M N 0.639 120.267 119.600 0.047 0.000 2.319 584 M HA -0.085 4.309 4.480 -0.143 0.000 0.265 584 M C 1.921 178.252 176.300 0.051 0.000 1.068 584 M CA 1.122 56.448 55.300 0.044 0.000 1.118 584 M CB -0.167 32.460 32.600 0.045 0.000 1.395 584 M HN 0.130 nan 8.290 nan 0.000 0.435 585 Q N 0.234 120.065 119.800 0.051 0.000 2.079 585 Q HA -0.076 4.178 4.340 -0.143 0.000 0.200 585 Q C 2.255 178.294 176.000 0.065 0.000 0.974 585 Q CA 1.576 57.427 55.803 0.080 0.000 0.840 585 Q CB -0.246 28.526 28.738 0.056 0.000 0.898 585 Q HN 0.577 nan 8.270 nan 0.000 0.430 586 A N 0.894 123.740 122.820 0.043 0.000 2.067 586 A HA -0.137 4.098 4.320 -0.143 0.000 0.219 586 A C 2.087 179.698 177.584 0.044 0.000 1.158 586 A CA 1.601 53.668 52.037 0.049 0.000 0.661 586 A CB -0.306 18.722 19.000 0.045 0.000 0.801 586 A HN 0.400 nan 8.150 nan 0.000 0.452 587 S N -2.593 113.129 115.700 0.037 0.000 2.556 587 S HA 0.402 4.786 4.470 -0.143 0.000 0.216 587 S C 1.385 175.993 174.600 0.014 0.000 0.970 587 S CA 1.038 59.252 58.200 0.022 0.000 0.912 587 S CB -0.060 63.154 63.200 0.024 0.000 0.790 587 S HN 1.842 nan 8.310 nan 0.000 0.504 588 G N 1.269 110.088 108.800 0.031 0.000 2.179 588 G HA2 -0.288 3.586 3.960 -0.143 0.000 0.260 588 G HA3 -0.288 3.586 3.960 -0.143 0.000 0.260 588 G C 0.525 175.449 174.900 0.040 0.000 0.977 588 G CA 0.515 45.632 45.100 0.029 0.000 0.641 588 G HN 0.582 nan 8.290 nan 0.000 0.533 589 E N 0.114 120.337 120.200 0.037 0.000 2.318 589 E HA 0.419 4.683 4.350 -0.143 0.000 0.193 589 E C 1.763 178.378 176.600 0.026 0.000 0.998 589 E CA 0.322 56.737 56.400 0.025 0.000 0.859 589 E CB 0.180 29.890 29.700 0.017 0.000 0.812 589 E HN 0.767 nan 8.360 nan 0.000 0.492 590 A N 1.527 124.368 122.820 0.035 0.000 2.511 590 A HA 0.186 4.420 4.320 -0.143 0.000 0.242 590 A C 0.078 177.624 177.584 -0.064 0.000 1.069 590 A CA -0.069 51.946 52.037 -0.036 0.000 0.763 590 A CB 0.400 19.366 19.000 -0.057 0.000 1.001 590 A HN 0.002 nan 8.150 nan 0.000 0.498 591 V N 3.951 123.774 119.914 -0.151 0.000 2.394 591 V HA 0.349 4.383 4.120 -0.143 0.000 0.282 591 V C -0.614 175.355 176.094 -0.209 0.000 1.031 591 V CA -0.175 62.081 62.300 -0.073 0.000 0.881 591 V CB 0.377 32.172 31.823 -0.047 0.000 0.982 591 V HN 0.769 nan 8.190 nan 0.000 0.451 592 Y N 1.756 122.119 120.300 0.106 0.000 2.519 592 Y HA 0.332 4.796 4.550 -0.143 0.000 0.324 592 Y C 1.577 177.527 175.900 0.083 0.000 1.214 592 Y CA -0.313 57.865 58.100 0.130 0.000 1.260 592 Y CB 0.726 39.353 38.460 0.279 0.000 1.311 592 Y HN 0.676 nan 8.280 nan 0.000 0.505 593 C N 0.732 120.160 119.300 0.214 0.000 2.349 593 C HA -0.296 4.079 4.460 -0.143 0.000 0.274 593 C C 2.478 177.526 174.990 0.098 0.000 1.178 593 C CA 2.567 61.660 59.018 0.126 0.000 1.769 593 C CB -0.856 26.950 27.740 0.110 0.000 2.047 593 C HN 1.080 nan 8.230 nan 0.000 0.448 594 D N -0.356 120.124 120.400 0.133 0.000 2.348 594 D HA -0.056 4.498 4.640 -0.143 0.000 0.216 594 D C 1.527 177.872 176.300 0.076 0.000 0.970 594 D CA 0.898 54.955 54.000 0.095 0.000 0.889 594 D CB -0.334 40.533 40.800 0.112 0.000 0.912 594 D HN 0.568 nan 8.370 nan 0.000 0.524 595 D N -0.227 120.239 120.400 0.110 0.000 2.269 595 D HA -0.023 4.531 4.640 -0.143 0.000 0.208 595 D C 0.707 177.000 176.300 -0.010 0.000 0.963 595 D CA 0.210 54.251 54.000 0.067 0.000 0.864 595 D CB 0.100 40.975 40.800 0.126 0.000 0.936 595 D HN 0.367 nan 8.370 nan 0.000 0.505 596 I N 2.485 123.025 120.570 -0.049 0.000 2.710 596 I HA 0.012 4.096 4.170 -0.143 0.000 0.286 596 I C -1.924 174.097 176.117 -0.160 0.000 1.181 596 I CA -1.497 59.716 61.300 -0.145 0.000 1.430 596 I CB 0.278 38.133 38.000 -0.241 0.000 1.367 596 I HN -0.283 nan 8.210 nan 0.000 0.577 597 P HA 0.154 nan 4.420 nan 0.000 0.269 597 P C -0.699 176.454 177.300 -0.245 0.000 1.209 597 P CA -0.208 62.779 63.100 -0.189 0.000 0.776 597 P CB 0.457 32.034 31.700 -0.204 0.000 0.876 598 R N 1.895 122.298 120.500 -0.162 0.000 2.490 598 R HA 0.231 4.485 4.340 -0.143 0.000 0.280 598 R C 0.117 176.324 176.300 -0.155 0.000 1.077 598 R CA -0.254 55.775 56.100 -0.119 0.000 1.065 598 R CB 0.137 30.417 30.300 -0.033 0.000 1.003 598 R HN 0.468 nan 8.270 nan 0.000 0.470 599 Y N 1.424 121.704 120.300 -0.034 0.000 2.426 599 Y HA -0.140 4.325 4.550 -0.143 0.000 0.344 599 Y C 1.942 177.831 175.900 -0.018 0.000 1.256 599 Y CA 0.288 58.373 58.100 -0.024 0.000 1.451 599 Y CB 0.594 39.047 38.460 -0.012 0.000 1.342 599 Y HN 0.671 nan 8.280 nan 0.000 0.600 600 E N 0.336 120.641 120.200 0.176 0.000 2.204 600 E HA -0.240 4.024 4.350 -0.143 0.000 0.195 600 E C 0.554 177.201 176.600 0.078 0.000 0.990 600 E CA 1.475 57.926 56.400 0.086 0.000 0.821 600 E CB -0.289 29.450 29.700 0.065 0.000 0.750 600 E HN 0.725 nan 8.360 nan 0.000 0.477 601 N N 1.114 119.872 118.700 0.097 0.000 2.251 601 N HA 0.009 4.664 4.740 -0.143 0.000 0.217 601 N C -0.319 175.225 175.510 0.057 0.000 1.124 601 N CA -0.163 52.918 53.050 0.051 0.000 0.843 601 N CB 0.217 38.712 38.487 0.014 0.000 1.024 601 N HN 0.219 nan 8.380 nan 0.000 0.501 602 E N 0.728 120.988 120.200 0.100 0.000 2.373 602 E HA 0.275 4.539 4.350 -0.143 0.000 0.267 602 E C -0.578 176.058 176.600 0.061 0.000 1.032 602 E CA -0.332 56.127 56.400 0.099 0.000 0.889 602 E CB 0.722 30.504 29.700 0.137 0.000 0.984 602 E HN 0.215 nan 8.360 nan 0.000 0.425 603 L N 1.776 123.029 121.223 0.051 0.000 2.304 603 L HA 0.485 4.739 4.340 -0.143 0.000 0.268 603 L C -0.249 176.649 176.870 0.046 0.000 1.010 603 L CA -0.993 53.870 54.840 0.038 0.000 0.813 603 L CB 2.085 44.155 42.059 0.018 0.000 1.315 603 L HN 0.463 nan 8.230 nan 0.000 0.445 604 S N 1.098 116.825 115.700 0.045 0.000 2.537 604 S HA 0.680 5.064 4.470 -0.143 0.000 0.301 604 S C -0.876 173.759 174.600 0.059 0.000 1.092 604 S CA -0.518 57.714 58.200 0.053 0.000 1.048 604 S CB 2.010 65.242 63.200 0.052 0.000 1.053 604 S HN 0.409 nan 8.310 nan 0.000 0.501 605 L N 2.653 123.918 121.223 0.070 0.000 2.365 605 L HA 0.802 5.056 4.340 -0.143 0.000 0.273 605 L C -0.823 176.107 176.870 0.101 0.000 1.000 605 L CA -0.732 54.158 54.840 0.083 0.000 0.819 605 L CB 1.594 43.706 42.059 0.087 0.000 1.284 605 L HN 0.659 nan 8.230 nan 0.000 0.418 606 R N 4.238 124.812 120.500 0.123 0.000 2.561 606 R HA 0.605 4.859 4.340 -0.143 0.000 0.297 606 R C -1.655 174.745 176.300 0.167 0.000 0.969 606 R CA -0.455 55.725 56.100 0.134 0.000 0.879 606 R CB 1.400 31.779 30.300 0.131 0.000 1.178 606 R HN 0.710 nan 8.270 nan 0.000 0.445 607 L N 3.871 125.194 121.223 0.167 0.000 2.397 607 L HA 0.388 4.642 4.340 -0.143 0.000 0.271 607 L C -0.387 176.608 176.870 0.209 0.000 1.148 607 L CA -0.774 54.186 54.840 0.200 0.000 0.825 607 L CB 1.419 43.591 42.059 0.189 0.000 1.117 607 L HN 0.363 nan 8.230 nan 0.000 0.456 608 V N 1.601 121.668 119.914 0.254 0.000 2.417 608 V HA 0.448 4.482 4.120 -0.143 0.000 0.291 608 V C 0.216 176.448 176.094 0.229 0.000 1.024 608 V CA -0.460 61.986 62.300 0.243 0.000 0.861 608 V CB 1.799 33.819 31.823 0.329 0.000 0.985 608 V HN 0.932 nan 8.190 nan 0.000 0.436 609 T N 0.937 115.609 114.554 0.197 0.000 2.924 609 T HA 0.537 4.802 4.350 -0.143 0.000 0.291 609 T C 0.030 174.856 174.700 0.211 0.000 1.045 609 T CA -0.686 61.536 62.100 0.204 0.000 1.015 609 T CB 1.735 70.714 68.868 0.184 0.000 1.103 609 T HN 0.530 nan 8.240 nan 0.000 0.496 610 S N 0.644 116.482 115.700 0.229 0.000 2.549 610 S HA 0.247 4.631 4.470 -0.143 0.000 0.286 610 S C 1.271 175.956 174.600 0.143 0.000 1.314 610 S CA 0.063 58.414 58.200 0.252 0.000 1.062 610 S CB -0.123 63.222 63.200 0.241 0.000 0.865 610 S HN 0.984 nan 8.310 nan 0.000 0.498 611 T N 2.880 117.471 114.554 0.063 0.000 3.134 611 T HA 0.376 4.640 4.350 -0.143 0.000 0.260 611 T C 0.189 174.755 174.700 -0.224 0.000 1.027 611 T CA -0.517 61.555 62.100 -0.047 0.000 0.913 611 T CB -0.041 68.834 68.868 0.012 0.000 1.046 611 T HN 0.459 nan 8.240 nan 0.000 0.553 612 R N 0.181 120.488 120.500 -0.322 0.000 2.621 612 R HA 0.737 4.991 4.340 -0.143 0.000 0.292 612 R C 0.793 177.040 176.300 -0.088 0.000 0.969 612 R CA -0.295 55.629 56.100 -0.295 0.000 0.887 612 R CB 1.527 31.481 30.300 -0.576 0.000 1.180 612 R HN 0.130 nan 8.270 nan 0.000 0.450 613 A N 1.329 124.127 122.820 -0.036 0.000 1.930 613 A HA -0.089 4.145 4.320 -0.143 0.000 0.217 613 A C 0.466 178.125 177.584 0.124 0.000 1.175 613 A CA 1.320 53.374 52.037 0.028 0.000 0.627 613 A CB -0.069 18.932 19.000 0.002 0.000 0.815 613 A HN 0.726 nan 8.150 nan 0.000 0.443 614 H N -2.059 117.000 119.070 -0.019 0.000 3.179 614 H HA 0.523 4.993 4.556 -0.143 0.000 0.331 614 H C -1.288 174.053 175.328 0.021 0.000 1.013 614 H CA -0.208 55.850 56.048 0.017 0.000 1.430 614 H CB 1.060 30.824 29.762 0.003 0.000 1.895 614 H HN 0.454 nan 8.280 nan 0.000 0.468 615 A N 4.466 127.302 122.820 0.027 0.000 2.599 615 A HA 0.358 4.592 4.320 -0.143 0.000 0.294 615 A C -1.477 176.149 177.584 0.070 0.000 1.055 615 A CA -0.966 51.078 52.037 0.011 0.000 0.683 615 A CB 1.744 20.807 19.000 0.105 0.000 1.278 615 A HN 0.592 nan 8.150 nan 0.000 0.412 616 K N 0.847 121.276 120.400 0.047 0.000 2.218 616 K HA 0.486 4.720 4.320 -0.143 0.000 0.276 616 K C -0.771 175.886 176.600 0.095 0.000 1.022 616 K CA -0.079 56.243 56.287 0.057 0.000 0.946 616 K CB 0.991 33.501 32.500 0.017 0.000 1.000 616 K HN 0.537 nan 8.250 nan 0.000 0.468 617 I N 3.085 123.683 120.570 0.048 0.000 2.363 617 I HA -0.060 4.024 4.170 -0.143 0.000 0.292 617 I C 1.692 177.779 176.117 -0.049 0.000 1.075 617 I CA -0.005 61.271 61.300 -0.040 0.000 1.333 617 I CB 0.943 38.911 38.000 -0.054 0.000 1.415 617 I HN 0.809 nan 8.210 nan 0.000 0.502 618 T N 0.893 115.403 114.554 -0.074 0.000 2.937 618 T HA 0.087 4.352 4.350 -0.143 0.000 0.260 618 T C 0.654 175.320 174.700 -0.056 0.000 1.051 618 T CA 0.575 62.648 62.100 -0.046 0.000 1.141 618 T CB 0.098 68.949 68.868 -0.028 0.000 0.879 618 T HN 0.644 nan 8.240 nan 0.000 0.459 619 S N -0.407 115.238 115.700 -0.092 0.000 2.611 619 S HA 0.625 5.009 4.470 -0.143 0.000 0.270 619 S C -1.825 172.709 174.600 -0.109 0.000 1.131 619 S CA -1.281 56.873 58.200 -0.076 0.000 0.826 619 S CB 0.798 63.964 63.200 -0.057 0.000 1.095 619 S HN 0.325 nan 8.310 nan 0.000 0.461 620 I N 1.513 122.039 120.570 -0.074 0.000 2.498 620 I HA 0.468 4.552 4.170 -0.143 0.000 0.290 620 I C -1.388 174.676 176.117 -0.087 0.000 1.032 620 I CA -0.397 60.850 61.300 -0.088 0.000 1.073 620 I CB 1.995 39.987 38.000 -0.013 0.000 1.251 620 I HN 0.707 nan 8.210 nan 0.000 0.426 621 D N 4.420 124.744 120.400 -0.127 0.000 2.381 621 D HA 0.237 4.791 4.640 -0.143 0.000 0.235 621 D C 0.455 176.647 176.300 -0.180 0.000 1.068 621 D CA -0.251 53.676 54.000 -0.121 0.000 0.832 621 D CB 1.786 42.524 40.800 -0.104 0.000 1.101 621 D HN 0.656 nan 8.370 nan 0.000 0.515 622 T N -0.363 114.084 114.554 -0.178 0.000 3.176 622 T HA 0.040 4.304 4.350 -0.143 0.000 0.263 622 T C 1.579 176.122 174.700 -0.262 0.000 1.021 622 T CA 0.214 62.157 62.100 -0.262 0.000 0.905 622 T CB -0.105 68.634 68.868 -0.215 0.000 1.057 622 T HN 0.221 nan 8.240 nan 0.000 0.558 623 S N 1.803 117.391 115.700 -0.188 0.000 2.382 623 S HA -0.146 4.239 4.470 -0.143 0.000 0.228 623 S C 1.811 176.291 174.600 -0.201 0.000 1.027 623 S CA 0.646 58.743 58.200 -0.172 0.000 0.991 623 S CB -0.317 62.815 63.200 -0.113 0.000 0.823 623 S HN 0.409 nan 8.310 nan 0.000 0.469 624 E N 1.996 122.079 120.200 -0.195 0.000 2.072 624 E HA 0.101 4.365 4.350 -0.143 0.000 0.190 624 E C 2.510 178.952 176.600 -0.262 0.000 0.982 624 E CA 1.117 57.407 56.400 -0.183 0.000 0.803 624 E CB -0.880 28.737 29.700 -0.137 0.000 0.755 624 E HN 0.643 nan 8.360 nan 0.000 0.453 625 A N 1.892 124.501 122.820 -0.352 0.000 1.908 625 A HA -0.236 3.998 4.320 -0.143 0.000 0.218 625 A C 2.047 179.101 177.584 -0.883 0.000 1.181 625 A CA 1.829 53.556 52.037 -0.518 0.000 0.627 625 A CB -0.467 18.201 19.000 -0.553 0.000 0.818 625 A HN 0.148 nan 8.150 nan 0.000 0.445 626 K N -0.299 119.564 120.400 -0.894 0.000 2.280 626 K HA -0.110 4.124 4.320 -0.143 0.000 0.202 626 K C 1.564 177.951 176.600 -0.355 0.000 1.047 626 K CA 1.376 57.188 56.287 -0.791 0.000 0.942 626 K CB -0.096 32.163 32.500 -0.400 0.000 0.739 626 K HN 0.469 nan 8.250 nan 0.000 0.457 627 K N 0.546 120.784 120.400 -0.271 0.000 2.426 627 K HA 0.064 4.298 4.320 -0.143 0.000 0.193 627 K C 0.085 176.613 176.600 -0.120 0.000 1.028 627 K CA 0.065 56.263 56.287 -0.149 0.000 1.047 627 K CB 0.509 32.935 32.500 -0.124 0.000 0.821 627 K HN -0.108 nan 8.250 nan 0.000 0.513 628 V N 3.946 123.777 119.914 -0.139 0.000 2.572 628 V HA 0.061 4.095 4.120 -0.143 0.000 0.291 628 V C -2.176 173.846 176.094 -0.120 0.000 1.039 628 V CA -1.730 60.508 62.300 -0.103 0.000 1.055 628 V CB 0.511 32.306 31.823 -0.046 0.000 0.969 628 V HN 0.058 nan 8.190 nan 0.000 0.482 629 P HA 0.162 nan 4.420 nan 0.000 0.265 629 P C 0.970 178.037 177.300 -0.389 0.000 1.187 629 P CA 1.354 64.272 63.100 -0.303 0.000 0.766 629 P CB 0.459 31.912 31.700 -0.412 0.000 0.820 630 G N 1.896 110.633 108.800 -0.105 0.000 2.179 630 G HA2 -0.307 3.567 3.960 -0.143 0.000 0.260 630 G HA3 -0.307 3.567 3.960 -0.143 0.000 0.260 630 G C 0.138 175.098 174.900 0.100 0.000 0.977 630 G CA -0.279 44.844 45.100 0.040 0.000 0.641 630 G HN 0.567 nan 8.290 nan 0.000 0.533 631 F N 1.120 121.050 119.950 -0.033 0.000 2.608 631 F HA 0.404 4.845 4.527 -0.143 0.000 0.380 631 F C 1.317 177.127 175.800 0.018 0.000 1.083 631 F CA 0.903 58.906 58.000 0.005 0.000 1.266 631 F CB 0.962 39.954 39.000 -0.014 0.000 1.076 631 F HN -0.070 nan 8.300 nan 0.000 0.574 632 V N 4.384 123.868 119.914 -0.717 0.000 2.721 632 V HA 0.098 4.132 4.120 -0.143 0.000 0.236 632 V C 0.387 176.032 176.094 -0.748 0.000 1.116 632 V CA 1.017 63.005 62.300 -0.518 0.000 1.148 632 V CB 0.350 32.012 31.823 -0.269 0.000 0.886 632 V HN 1.020 nan 8.190 nan 0.000 0.490 633 C N -1.819 116.876 119.300 -1.008 0.000 3.312 633 C HA 0.707 5.081 4.460 -0.143 0.000 0.332 633 C C -1.376 173.448 174.990 -0.277 0.000 1.340 633 C CA -1.203 57.467 59.018 -0.581 0.000 1.265 633 C CB 1.007 28.622 27.740 -0.209 0.000 1.563 633 C HN 0.291 nan 8.230 nan 0.000 0.471 634 F N 2.269 122.216 119.950 -0.006 0.000 2.375 634 F HA 0.762 5.203 4.527 -0.143 0.000 0.361 634 F C -0.493 175.257 175.800 -0.085 0.000 1.117 634 F CA -1.370 56.652 58.000 0.036 0.000 1.037 634 F CB 0.701 39.804 39.000 0.172 0.000 1.192 634 F HN 0.679 nan 8.300 nan 0.000 0.452 635 L N 6.007 126.817 121.223 -0.689 0.000 2.326 635 L HA 0.571 4.826 4.340 -0.143 0.000 0.278 635 L C 0.427 176.484 176.870 -1.355 0.000 1.092 635 L CA -0.301 54.090 54.840 -0.748 0.000 0.810 635 L CB 1.330 43.077 42.059 -0.521 0.000 1.153 635 L HN 0.775 nan 8.230 nan 0.000 0.439 636 T N -1.467 112.541 114.554 -0.910 0.000 2.716 636 T HA 0.517 4.782 4.350 -0.143 0.000 0.286 636 T C 0.821 175.394 174.700 -0.212 0.000 1.052 636 T CA -0.116 61.538 62.100 -0.743 0.000 1.024 636 T CB 1.412 70.053 68.868 -0.379 0.000 1.349 636 T HN 0.438 nan 8.240 nan 0.000 0.525 637 A N 0.059 122.889 122.820 0.016 0.000 1.978 637 A HA -0.059 4.175 4.320 -0.143 0.000 0.220 637 A C 2.018 179.654 177.584 0.087 0.000 1.170 637 A CA 1.973 54.108 52.037 0.163 0.000 0.636 637 A CB -1.233 17.833 19.000 0.109 0.000 0.810 637 A HN 0.924 nan 8.150 nan 0.000 0.448 638 E N -0.181 120.032 120.200 0.021 0.000 2.265 638 E HA -0.142 4.122 4.350 -0.143 0.000 0.196 638 E C 0.678 177.294 176.600 0.026 0.000 0.996 638 E CA 0.999 57.410 56.400 0.018 0.000 0.832 638 E CB -0.052 29.649 29.700 0.001 0.000 0.756 638 E HN 0.591 nan 8.360 nan 0.000 0.491 639 D N 0.126 120.541 120.400 0.025 0.000 2.340 639 D HA -0.007 4.547 4.640 -0.143 0.000 0.220 639 D C -0.025 176.331 176.300 0.094 0.000 1.039 639 D CA 0.191 54.216 54.000 0.042 0.000 0.866 639 D CB 0.555 41.355 40.800 -0.001 0.000 0.913 639 D HN -0.032 nan 8.370 nan 0.000 0.523 640 V N 2.879 122.860 119.914 0.112 0.000 2.479 640 V HA -0.009 4.025 4.120 -0.143 0.000 0.281 640 V C -1.111 175.009 176.094 0.044 0.000 1.031 640 V CA -0.681 61.671 62.300 0.088 0.000 1.038 640 V CB 1.339 33.205 31.823 0.071 0.000 0.981 640 V HN -0.054 nan 8.190 nan 0.000 0.478 641 P HA -0.057 nan 4.420 nan 0.000 0.216 641 P C 1.012 178.305 177.300 -0.011 0.000 1.153 641 P CA 1.129 64.231 63.100 0.004 0.000 0.844 641 P CB 0.391 32.057 31.700 -0.057 0.000 0.787 642 N N -1.892 116.792 118.700 -0.028 0.000 2.994 642 N HA 0.045 4.699 4.740 -0.143 0.000 0.216 642 N C -0.266 175.230 175.510 -0.023 0.000 1.166 642 N CA 0.028 53.061 53.050 -0.028 0.000 1.155 642 N CB 0.200 38.663 38.487 -0.041 0.000 1.489 642 N HN -0.158 nan 8.380 nan 0.000 0.556 643 S N 0.245 115.924 115.700 -0.035 0.000 2.473 643 S HA 0.306 4.691 4.470 -0.143 0.000 0.307 643 S C -0.221 174.349 174.600 -0.050 0.000 1.094 643 S CA -0.560 57.618 58.200 -0.038 0.000 1.070 643 S CB 1.235 64.407 63.200 -0.047 0.000 1.019 643 S HN 0.419 nan 8.310 nan 0.000 0.480 644 N N 3.081 121.760 118.700 -0.036 0.000 2.383 644 N HA 0.275 4.930 4.740 -0.143 0.000 0.192 644 N C -0.134 175.335 175.510 -0.068 0.000 1.141 644 N CA 0.128 53.150 53.050 -0.046 0.000 0.851 644 N CB 0.231 38.719 38.487 0.002 0.000 0.976 644 N HN 0.632 nan 8.380 nan 0.000 0.465 645 A N -0.742 122.030 122.820 -0.080 0.000 2.276 645 A HA 0.619 4.853 4.320 -0.143 0.000 0.316 645 A C 0.224 177.697 177.584 -0.185 0.000 1.229 645 A CA -0.371 51.608 52.037 -0.095 0.000 0.851 645 A CB 0.974 19.937 19.000 -0.061 0.000 1.165 645 A HN 0.198 nan 8.150 nan 0.000 0.513 646 T N 0.673 115.074 114.554 -0.255 0.000 2.618 646 T HA 0.773 5.037 4.350 -0.143 0.000 0.293 646 T C -0.005 174.369 174.700 -0.544 0.000 1.093 646 T CA 0.814 62.610 62.100 -0.508 0.000 1.061 646 T CB 1.065 69.644 68.868 -0.481 0.000 1.498 646 T HN 2.663 nan 8.240 nan 0.000 0.494 647 G N 0.506 108.755 108.800 -0.919 0.000 2.712 647 G HA2 -0.039 3.835 3.960 -0.143 0.000 0.686 647 G HA3 -0.039 3.835 3.960 -0.143 0.000 0.686 647 G C 0.260 175.007 174.900 -0.254 0.000 1.321 647 G CA -0.107 44.740 45.100 -0.422 0.000 0.813 647 G HN 1.059 nan 8.290 nan 0.000 0.599 648 L N 0.364 121.626 121.223 0.064 0.000 2.079 648 L HA 0.212 4.466 4.340 -0.143 0.000 0.210 648 L C 2.069 178.669 176.870 -0.450 0.000 1.081 648 L CA 2.428 57.247 54.840 -0.035 0.000 0.752 648 L CB -0.453 41.574 42.059 -0.054 0.000 0.896 648 L HN 0.576 nan 8.230 nan 0.000 0.433 649 F N -1.125 118.842 119.950 0.027 0.000 2.647 649 F HA 0.242 4.683 4.527 -0.143 0.000 0.300 649 F C 1.189 176.980 175.800 -0.015 0.000 1.106 649 F CA -0.112 57.895 58.000 0.012 0.000 1.313 649 F CB -0.332 38.668 39.000 0.001 0.000 1.007 649 F HN 0.117 nan 8.300 nan 0.000 0.536 650 N N 1.393 120.091 118.700 -0.004 0.000 2.776 650 N HA -0.221 4.434 4.740 -0.143 0.000 0.250 650 N C 0.097 175.606 175.510 -0.001 0.000 1.112 650 N CA 1.183 54.203 53.050 -0.050 0.000 0.733 650 N CB -0.979 37.492 38.487 -0.026 0.000 1.097 650 N HN 0.485 nan 8.380 nan 0.000 0.558 651 D N -1.313 119.105 120.400 0.030 0.000 2.462 651 D HA 0.156 4.711 4.640 -0.143 0.000 0.221 651 D C 0.219 176.533 176.300 0.024 0.000 1.173 651 D CA -0.110 53.920 54.000 0.050 0.000 0.831 651 D CB 0.045 40.911 40.800 0.111 0.000 1.001 651 D HN 0.609 nan 8.370 nan 0.000 0.499 652 E N 0.498 120.682 120.200 -0.027 0.000 2.221 652 E HA 0.391 4.656 4.350 -0.143 0.000 0.268 652 E C -0.526 176.054 176.600 -0.033 0.000 0.933 652 E CA -0.696 55.682 56.400 -0.037 0.000 0.809 652 E CB 1.480 31.135 29.700 -0.074 0.000 1.190 652 E HN 0.104 nan 8.360 nan 0.000 0.406 653 T N -0.191 114.384 114.554 0.034 0.000 2.909 653 T HA 0.171 4.435 4.350 -0.143 0.000 0.289 653 T C 1.267 175.944 174.700 -0.039 0.000 1.005 653 T CA -0.841 61.287 62.100 0.046 0.000 1.084 653 T CB 1.423 70.397 68.868 0.177 0.000 0.975 653 T HN 0.250 nan 8.240 nan 0.000 0.509 654 V N 1.187 121.015 119.914 -0.144 0.000 2.261 654 V HA 0.080 4.114 4.120 -0.143 0.000 0.246 654 V C 0.442 176.262 176.094 -0.456 0.000 1.047 654 V CA 1.297 63.381 62.300 -0.359 0.000 1.015 654 V CB -0.817 30.727 31.823 -0.466 0.000 0.642 654 V HN 0.869 nan 8.190 nan 0.000 0.446 655 F N -1.596 118.366 119.950 0.020 0.000 2.578 655 F HA 0.707 5.148 4.527 -0.143 0.000 0.311 655 F C 0.266 176.058 175.800 -0.013 0.000 1.094 655 F CA -0.888 57.112 58.000 0.000 0.000 0.923 655 F CB 1.297 40.262 39.000 -0.057 0.000 1.230 655 F HN -0.012 nan 8.300 nan 0.000 0.450 656 A N 3.043 125.927 122.820 0.107 0.000 2.531 656 A HA 0.255 4.489 4.320 -0.143 0.000 0.236 656 A C -0.311 177.282 177.584 0.015 0.000 1.062 656 A CA -0.005 51.970 52.037 -0.104 0.000 0.760 656 A CB 0.268 18.972 19.000 -0.494 0.000 0.995 656 A HN 0.729 nan 8.150 nan 0.000 0.501 657 K N 1.701 122.126 120.400 0.042 0.000 2.450 657 K HA 0.362 4.597 4.320 -0.143 0.000 0.257 657 K C -0.721 175.907 176.600 0.046 0.000 0.953 657 K CA -0.448 55.867 56.287 0.047 0.000 0.844 657 K CB 0.627 33.162 32.500 0.058 0.000 1.103 657 K HN 0.815 nan 8.250 nan 0.000 0.429 658 D N 0.810 121.229 120.400 0.032 0.000 2.593 658 D HA -0.230 4.324 4.640 -0.143 0.000 0.176 658 D C -0.259 176.071 176.300 0.049 0.000 1.580 658 D CA 2.075 56.096 54.000 0.036 0.000 1.831 658 D CB -0.303 40.522 40.800 0.042 0.000 1.384 658 D HN 0.840 nan 8.370 nan 0.000 0.479 659 E N -0.261 119.983 120.200 0.074 0.000 2.413 659 E HA 0.554 4.818 4.350 -0.143 0.000 0.277 659 E C -0.380 176.304 176.600 0.139 0.000 0.958 659 E CA -1.051 55.420 56.400 0.118 0.000 0.779 659 E CB 2.694 32.485 29.700 0.153 0.000 1.278 659 E HN 0.053 nan 8.360 nan 0.000 0.456 660 V N -1.104 118.939 119.914 0.214 0.000 2.769 660 V HA 0.710 4.745 4.120 -0.143 0.000 0.312 660 V C 0.309 176.678 176.094 0.458 0.000 1.058 660 V CA 0.051 62.531 62.300 0.300 0.000 0.952 660 V CB 1.330 33.300 31.823 0.245 0.000 1.019 660 V HN 1.009 nan 8.190 nan 0.000 0.445 661 T N -1.792 113.089 114.554 0.546 0.000 3.144 661 T HA 0.391 4.656 4.350 -0.143 0.000 0.290 661 T C 0.181 174.913 174.700 0.053 0.000 0.966 661 T CA 0.393 62.597 62.100 0.174 0.000 0.907 661 T CB -0.615 68.264 68.868 0.020 0.000 1.152 661 T HN 1.732 nan 8.240 nan 0.000 0.532 662 C N -0.613 118.768 119.300 0.134 0.000 3.312 662 C HA 0.783 5.157 4.460 -0.143 0.000 0.332 662 C C -0.539 174.519 174.990 0.113 0.000 1.340 662 C CA -1.108 57.953 59.018 0.070 0.000 1.265 662 C CB 0.997 28.745 27.740 0.013 0.000 1.563 662 C HN 0.143 nan 8.230 nan 0.000 0.471 663 V N 2.914 122.870 119.914 0.070 0.000 2.479 663 V HA 0.538 4.573 4.120 -0.143 0.000 0.281 663 V C 1.500 177.657 176.094 0.105 0.000 1.031 663 V CA 2.299 64.640 62.300 0.069 0.000 1.038 663 V CB 0.277 32.121 31.823 0.034 0.000 0.981 663 V HN 2.168 nan 8.190 nan 0.000 0.478 664 G N 3.467 112.350 108.800 0.138 0.000 2.184 664 G HA2 -0.221 3.653 3.960 -0.143 0.000 0.206 664 G HA3 -0.221 3.653 3.960 -0.143 0.000 0.206 664 G C 0.206 175.230 174.900 0.208 0.000 0.995 664 G CA 0.114 45.306 45.100 0.153 0.000 0.651 664 G HN 0.903 nan 8.290 nan 0.000 0.511 665 H N 0.671 119.808 119.070 0.113 0.000 3.004 665 H HA 0.427 4.897 4.556 -0.143 0.000 0.316 665 H C 0.711 176.132 175.328 0.156 0.000 1.014 665 H CA -0.482 55.640 56.048 0.123 0.000 1.454 665 H CB 0.230 30.067 29.762 0.126 0.000 1.472 665 H HN 0.250 nan 8.280 nan 0.000 0.571 666 I N 7.140 127.973 120.570 0.439 0.000 2.471 666 I HA -0.118 3.966 4.170 -0.143 0.000 0.286 666 I C 0.940 177.210 176.117 0.254 0.000 1.079 666 I CA 0.280 61.767 61.300 0.313 0.000 1.398 666 I CB 0.858 39.039 38.000 0.302 0.000 1.403 666 I HN 0.728 nan 8.210 nan 0.000 0.530 667 I N 4.702 125.394 120.570 0.203 0.000 2.927 667 I HA 0.229 4.313 4.170 -0.143 0.000 0.268 667 I C 1.206 177.346 176.117 0.038 0.000 1.153 667 I CA 0.336 61.709 61.300 0.120 0.000 1.459 667 I CB 0.108 38.188 38.000 0.133 0.000 1.149 667 I HN 0.737 nan 8.210 nan 0.000 0.443 668 G N 0.096 108.891 108.800 -0.007 0.000 2.561 668 G HA2 0.725 4.600 3.960 -0.143 0.000 0.310 668 G HA3 0.725 4.600 3.960 -0.143 0.000 0.310 668 G C -2.057 172.653 174.900 -0.316 0.000 1.292 668 G CA 0.093 44.738 45.100 -0.759 0.000 0.811 668 G HN 0.149 nan 8.290 nan 0.000 0.482 669 A N -0.813 121.670 122.820 -0.563 0.000 2.459 669 A HA 0.705 4.939 4.320 -0.143 0.000 0.296 669 A C -0.890 176.749 177.584 0.092 0.000 1.039 669 A CA -0.421 51.607 52.037 -0.014 0.000 0.698 669 A CB 1.760 20.812 19.000 0.086 0.000 1.261 669 A HN 1.381 nan 8.150 nan 0.000 0.405 670 V N 2.326 122.426 119.914 0.311 0.000 2.583 670 V HA 0.380 4.414 4.120 -0.143 0.000 0.287 670 V C -0.013 176.144 176.094 0.105 0.000 1.051 670 V CA -0.116 62.365 62.300 0.301 0.000 1.010 670 V CB 1.436 33.457 31.823 0.330 0.000 0.988 670 V HN 0.638 nan 8.190 nan 0.000 0.478 671 V N 4.601 124.493 119.914 -0.036 0.000 2.448 671 V HA 0.901 4.935 4.120 -0.143 0.000 0.295 671 V C 0.237 176.250 176.094 -0.135 0.000 1.025 671 V CA -0.096 62.159 62.300 -0.074 0.000 0.859 671 V CB 1.268 33.029 31.823 -0.104 0.000 0.988 671 V HN 1.081 nan 8.190 nan 0.000 0.431 672 A N 3.059 125.867 122.820 -0.020 0.000 2.552 672 A HA 0.725 4.959 4.320 -0.143 0.000 0.288 672 A C 0.530 178.151 177.584 0.062 0.000 1.193 672 A CA -0.026 52.028 52.037 0.028 0.000 0.713 672 A CB 1.314 20.406 19.000 0.153 0.000 1.305 672 A HN 0.716 nan 8.150 nan 0.000 0.424 673 D N -0.158 120.310 120.400 0.113 0.000 2.103 673 D HA -0.004 4.550 4.640 -0.143 0.000 0.199 673 D C 0.989 177.334 176.300 0.076 0.000 0.978 673 D CA 2.157 56.215 54.000 0.097 0.000 0.829 673 D CB -0.734 40.140 40.800 0.123 0.000 0.981 673 D HN 0.730 nan 8.370 nan 0.000 0.464 674 T N -4.278 110.323 114.554 0.079 0.000 2.942 674 T HA 0.497 4.761 4.350 -0.143 0.000 0.289 674 T C -2.261 172.440 174.700 0.002 0.000 1.044 674 T CA -1.925 60.162 62.100 -0.022 0.000 1.023 674 T CB 2.562 71.313 68.868 -0.196 0.000 1.123 674 T HN -0.321 nan 8.240 nan 0.000 0.512 675 P HA 0.029 nan 4.420 nan 0.000 0.219 675 P C 1.080 178.392 177.300 0.020 0.000 1.150 675 P CA 0.888 64.000 63.100 0.021 0.000 0.814 675 P CB 0.124 31.834 31.700 0.016 0.000 0.787 676 E N -1.346 118.833 120.200 -0.035 0.000 2.047 676 E HA -0.183 4.081 4.350 -0.143 0.000 0.191 676 E C 1.978 178.625 176.600 0.079 0.000 0.987 676 E CA 1.237 57.624 56.400 -0.021 0.000 0.799 676 E CB -0.942 28.698 29.700 -0.101 0.000 0.752 676 E HN 0.503 nan 8.360 nan 0.000 0.449 677 H N -0.559 118.543 119.070 0.054 0.000 2.389 677 H HA 0.014 4.485 4.556 -0.143 0.000 0.299 677 H C 1.961 177.345 175.328 0.093 0.000 1.081 677 H CA 0.556 56.647 56.048 0.071 0.000 1.345 677 H CB 0.073 29.881 29.762 0.076 0.000 1.393 677 H HN 0.209 nan 8.280 nan 0.000 0.520 678 A N 0.872 123.816 122.820 0.208 0.000 1.898 678 A HA -0.238 3.996 4.320 -0.143 0.000 0.216 678 A C 2.228 179.899 177.584 0.146 0.000 1.181 678 A CA 1.662 53.802 52.037 0.172 0.000 0.620 678 A CB -0.532 18.545 19.000 0.127 0.000 0.819 678 A HN 0.470 nan 8.150 nan 0.000 0.442 679 Q N -0.589 119.277 119.800 0.111 0.000 2.084 679 Q HA -0.187 4.067 4.340 -0.143 0.000 0.202 679 Q C 2.353 178.400 176.000 0.079 0.000 0.978 679 Q CA 1.634 57.487 55.803 0.083 0.000 0.844 679 Q CB -0.167 28.602 28.738 0.052 0.000 0.898 679 Q HN 0.646 nan 8.270 nan 0.000 0.426 680 R N -0.479 120.078 120.500 0.094 0.000 2.092 680 R HA -0.086 4.168 4.340 -0.143 0.000 0.231 680 R C 2.032 178.363 176.300 0.050 0.000 1.119 680 R CA 1.111 57.253 56.100 0.070 0.000 0.970 680 R CB -0.216 30.140 30.300 0.092 0.000 0.864 680 R HN 0.341 nan 8.270 nan 0.000 0.440 681 A N 0.655 123.530 122.820 0.091 0.000 1.930 681 A HA -0.030 4.204 4.320 -0.143 0.000 0.217 681 A C 2.295 179.899 177.584 0.033 0.000 1.175 681 A CA 1.390 53.470 52.037 0.071 0.000 0.627 681 A CB -0.532 18.627 19.000 0.266 0.000 0.815 681 A HN 0.480 nan 8.150 nan 0.000 0.443 682 A N 0.036 122.902 122.820 0.076 0.000 1.933 682 A HA -0.180 4.055 4.320 -0.143 0.000 0.218 682 A C 2.199 179.778 177.584 -0.009 0.000 1.175 682 A CA 1.450 53.514 52.037 0.046 0.000 0.628 682 A CB -0.486 18.573 19.000 0.098 0.000 0.814 682 A HN 0.536 nan 8.150 nan 0.000 0.444 683 R N -0.962 119.539 120.500 0.002 0.000 2.152 683 R HA -0.105 4.149 4.340 -0.143 0.000 0.232 683 R C 1.859 178.128 176.300 -0.051 0.000 1.117 683 R CA 1.000 57.093 56.100 -0.011 0.000 0.981 683 R CB -0.397 29.904 30.300 0.001 0.000 0.870 683 R HN 0.508 nan 8.270 nan 0.000 0.451 684 G N 0.450 109.198 108.800 -0.086 0.000 3.233 684 G HA2 0.122 3.997 3.960 -0.143 0.000 0.227 684 G HA3 0.122 3.997 3.960 -0.143 0.000 0.227 684 G C 0.126 174.905 174.900 -0.201 0.000 1.175 684 G CA -0.239 44.781 45.100 -0.134 0.000 0.781 684 G HN -0.031 nan 8.290 nan 0.000 0.542 685 V N 1.690 121.467 119.914 -0.229 0.000 2.368 685 V HA 0.299 4.333 4.120 -0.143 0.000 0.266 685 V C -0.143 175.819 176.094 -0.219 0.000 1.045 685 V CA -0.592 61.502 62.300 -0.344 0.000 0.899 685 V CB 1.224 32.697 31.823 -0.583 0.000 1.006 685 V HN 0.050 nan 8.190 nan 0.000 0.470 686 K N 5.523 125.806 120.400 -0.195 0.000 2.307 686 K HA 0.559 4.793 4.320 -0.143 0.000 0.263 686 K C -0.958 175.550 176.600 -0.154 0.000 0.973 686 K CA -0.567 55.643 56.287 -0.128 0.000 0.846 686 K CB 2.112 34.550 32.500 -0.103 0.000 1.100 686 K HN 0.434 nan 8.250 nan 0.000 0.438 687 I N 2.958 123.428 120.570 -0.168 0.000 2.377 687 I HA 0.205 4.289 4.170 -0.143 0.000 0.293 687 I C 0.689 176.562 176.117 -0.407 0.000 0.987 687 I CA -0.615 60.482 61.300 -0.339 0.000 1.185 687 I CB 1.490 39.172 38.000 -0.530 0.000 1.341 687 I HN 0.507 nan 8.210 nan 0.000 0.455 688 T N 3.227 117.554 114.554 -0.380 0.000 2.794 688 T HA 0.689 4.953 4.350 -0.143 0.000 0.280 688 T C -0.764 173.761 174.700 -0.291 0.000 0.987 688 T CA -0.551 61.415 62.100 -0.224 0.000 0.993 688 T CB 1.019 69.829 68.868 -0.097 0.000 0.939 688 T HN 0.299 nan 8.240 nan 0.000 0.449 689 Y N 0.470 120.770 120.300 0.000 0.000 2.587 689 Y HA 0.626 5.091 4.550 -0.143 0.000 0.337 689 Y C 0.468 176.363 175.900 -0.008 0.000 1.065 689 Y CA -1.278 56.822 58.100 -0.001 0.000 1.126 689 Y CB 1.854 40.318 38.460 0.006 0.000 1.279 689 Y HN 0.754 nan 8.280 nan 0.000 0.489 690 E N 1.720 122.017 120.200 0.162 0.000 2.220 690 E HA 0.200 4.464 4.350 -0.143 0.000 0.256 690 E C -1.541 175.079 176.600 0.035 0.000 0.881 690 E CA -0.818 55.626 56.400 0.073 0.000 0.766 690 E CB 0.781 30.500 29.700 0.032 0.000 1.187 690 E HN 0.584 nan 8.360 nan 0.000 0.419 691 D N 3.562 123.969 120.400 0.011 0.000 2.443 691 D HA 0.166 4.720 4.640 -0.143 0.000 0.239 691 D C -0.083 176.167 176.300 -0.083 0.000 1.136 691 D CA 0.531 54.510 54.000 -0.035 0.000 0.879 691 D CB 0.809 41.591 40.800 -0.030 0.000 1.195 691 D HN 0.404 nan 8.370 nan 0.000 0.443 692 L N 2.592 123.713 121.223 -0.169 0.000 2.319 692 L HA 0.383 4.637 4.340 -0.143 0.000 0.267 692 L C -2.204 174.597 176.870 -0.114 0.000 1.011 692 L CA -2.121 52.569 54.840 -0.250 0.000 0.818 692 L CB 1.770 43.437 42.059 -0.652 0.000 1.316 692 L HN 0.081 nan 8.230 nan 0.000 0.432 693 P HA 0.028 nan 4.420 nan 0.000 0.261 693 P C -1.062 176.337 177.300 0.165 0.000 1.183 693 P CA 0.175 63.304 63.100 0.048 0.000 0.761 693 P CB 0.547 32.269 31.700 0.037 0.000 0.785 694 A N 4.498 127.374 122.820 0.093 0.000 2.305 694 A HA 0.588 4.822 4.320 -0.143 0.000 0.322 694 A C -0.216 177.363 177.584 -0.010 0.000 1.187 694 A CA -0.684 51.400 52.037 0.078 0.000 0.825 694 A CB 0.397 19.426 19.000 0.048 0.000 1.164 694 A HN 0.489 nan 8.150 nan 0.000 0.498 695 I N 3.993 124.524 120.570 -0.064 0.000 2.328 695 I HA 0.204 4.288 4.170 -0.143 0.000 0.287 695 I C 0.001 176.050 176.117 -0.114 0.000 1.012 695 I CA -0.315 60.923 61.300 -0.104 0.000 1.195 695 I CB 1.037 38.947 38.000 -0.150 0.000 1.350 695 I HN 0.589 nan 8.210 nan 0.000 0.464 696 I N 2.949 123.458 120.570 -0.103 0.000 3.136 696 I HA 0.046 4.130 4.170 -0.143 0.000 0.262 696 I C 1.461 177.505 176.117 -0.123 0.000 1.132 696 I CA 0.922 62.154 61.300 -0.113 0.000 1.450 696 I CB -0.508 37.436 38.000 -0.094 0.000 1.315 696 I HN 0.496 nan 8.210 nan 0.000 0.460 697 T N -1.120 113.371 114.554 -0.104 0.000 2.902 697 T HA 0.488 4.752 4.350 -0.143 0.000 0.280 697 T C 1.435 176.085 174.700 -0.083 0.000 0.992 697 T CA -0.449 61.597 62.100 -0.089 0.000 1.015 697 T CB 1.858 70.677 68.868 -0.081 0.000 1.044 697 T HN 0.048 nan 8.240 nan 0.000 0.520 698 I N 0.500 121.043 120.570 -0.046 0.000 2.208 698 I HA -0.189 3.895 4.170 -0.143 0.000 0.245 698 I C 2.919 178.971 176.117 -0.108 0.000 1.097 698 I CA 1.572 62.849 61.300 -0.037 0.000 1.363 698 I CB -0.336 37.678 38.000 0.022 0.000 1.051 698 I HN 0.716 nan 8.210 nan 0.000 0.413 699 Q N 0.974 120.706 119.800 -0.114 0.000 2.124 699 Q HA -0.224 4.030 4.340 -0.143 0.000 0.202 699 Q C 1.673 177.598 176.000 -0.125 0.000 0.977 699 Q CA 1.771 57.494 55.803 -0.133 0.000 0.850 699 Q CB -0.136 28.536 28.738 -0.110 0.000 0.901 699 Q HN 0.398 nan 8.270 nan 0.000 0.429 700 D N -0.268 120.063 120.400 -0.116 0.000 2.123 700 D HA -0.173 4.381 4.640 -0.143 0.000 0.196 700 D C 1.600 177.799 176.300 -0.169 0.000 0.992 700 D CA 1.618 55.545 54.000 -0.121 0.000 0.833 700 D CB -0.388 40.346 40.800 -0.111 0.000 0.954 700 D HN 0.413 nan 8.370 nan 0.000 0.455 701 A N 0.556 123.253 122.820 -0.205 0.000 1.898 701 A HA -0.116 4.118 4.320 -0.143 0.000 0.216 701 A C 2.408 179.727 177.584 -0.442 0.000 1.181 701 A CA 0.829 52.659 52.037 -0.345 0.000 0.620 701 A CB -0.694 18.108 19.000 -0.331 0.000 0.819 701 A HN 0.187 nan 8.150 nan 0.000 0.442 702 I N 0.266 120.703 120.570 -0.221 0.000 2.226 702 I HA -0.274 3.810 4.170 -0.143 0.000 0.245 702 I C 1.945 178.021 176.117 -0.068 0.000 1.100 702 I CA 1.251 62.532 61.300 -0.033 0.000 1.374 702 I CB -0.405 37.543 38.000 -0.086 0.000 1.057 702 I HN 0.292 nan 8.210 nan 0.000 0.413 703 N N 1.027 119.662 118.700 -0.108 0.000 2.223 703 N HA -0.146 4.508 4.740 -0.143 0.000 0.185 703 N C 1.083 176.539 175.510 -0.091 0.000 1.016 703 N CA 1.208 54.209 53.050 -0.080 0.000 0.863 703 N CB -0.503 37.938 38.487 -0.077 0.000 0.983 703 N HN 0.405 nan 8.380 nan 0.000 0.429 704 N N 0.352 118.960 118.700 -0.153 0.000 2.230 704 N HA 0.035 4.689 4.740 -0.143 0.000 0.202 704 N C -0.493 174.896 175.510 -0.202 0.000 1.119 704 N CA -0.124 52.832 53.050 -0.156 0.000 0.851 704 N CB 0.070 38.458 38.487 -0.165 0.000 0.990 704 N HN 0.053 nan 8.380 nan 0.000 0.497 705 N N 0.320 118.879 118.700 -0.234 0.000 2.727 705 N HA -0.224 4.431 4.740 -0.143 0.000 0.249 705 N C -1.179 174.030 175.510 -0.502 0.000 1.048 705 N CA 0.450 53.370 53.050 -0.216 0.000 0.714 705 N CB -1.252 37.247 38.487 0.019 0.000 0.959 705 N HN 0.141 nan 8.380 nan 0.000 0.544 706 S N 1.037 116.174 115.700 -0.937 0.000 2.488 706 S HA 0.675 5.059 4.470 -0.143 0.000 0.310 706 S C -0.745 173.297 174.600 -0.929 0.000 1.093 706 S CA -0.557 57.230 58.200 -0.690 0.000 1.129 706 S CB -0.146 62.761 63.200 -0.489 0.000 0.989 706 S HN 0.291 nan 8.310 nan 0.000 0.479 707 F N 2.249 122.074 119.950 -0.208 0.000 2.620 707 F HA 0.461 4.902 4.527 -0.143 0.000 0.320 707 F C -0.827 174.781 175.800 -0.320 0.000 1.069 707 F CA -1.279 56.595 58.000 -0.210 0.000 0.953 707 F CB 1.310 40.263 39.000 -0.078 0.000 1.322 707 F HN 0.332 nan 8.300 nan 0.000 0.479 708 Y N 1.530 121.925 120.300 0.158 0.000 2.535 708 Y HA 0.475 4.939 4.550 -0.143 0.000 0.349 708 Y C 0.798 176.689 175.900 -0.015 0.000 0.992 708 Y CA 0.092 58.208 58.100 0.027 0.000 1.248 708 Y CB 0.496 38.936 38.460 -0.034 0.000 1.124 708 Y HN 0.842 nan 8.280 nan 0.000 0.520 709 G N 1.775 110.638 108.800 0.104 0.000 2.698 709 G HA2 -0.227 3.647 3.960 -0.143 0.000 0.233 709 G HA3 -0.227 3.647 3.960 -0.143 0.000 0.233 709 G C -0.098 174.793 174.900 -0.015 0.000 1.352 709 G CA -0.409 44.703 45.100 0.019 0.000 0.879 709 G HN 0.913 nan 8.290 nan 0.000 0.567 710 S N -0.775 114.884 115.700 -0.069 0.000 2.669 710 S HA 0.569 4.954 4.470 -0.143 0.000 0.270 710 S C 0.393 174.887 174.600 -0.178 0.000 1.225 710 S CA 0.560 58.696 58.200 -0.106 0.000 0.991 710 S CB 1.656 64.806 63.200 -0.084 0.000 0.987 710 S HN 1.102 nan 8.310 nan 0.000 0.552 711 E N 0.194 120.269 120.200 -0.208 0.000 2.529 711 E HA 0.081 4.345 4.350 -0.143 0.000 0.259 711 E C -0.695 175.778 176.600 -0.211 0.000 0.966 711 E CA 0.057 56.317 56.400 -0.233 0.000 0.937 711 E CB 0.161 29.737 29.700 -0.207 0.000 0.923 711 E HN 0.541 nan 8.360 nan 0.000 0.468 712 I N 4.318 124.740 120.570 -0.247 0.000 2.437 712 I HA 0.354 4.438 4.170 -0.143 0.000 0.298 712 I C 0.115 176.147 176.117 -0.142 0.000 0.984 712 I CA -0.502 60.624 61.300 -0.289 0.000 1.214 712 I CB 1.466 39.209 38.000 -0.429 0.000 1.365 712 I HN 0.412 nan 8.210 nan 0.000 0.469 713 K N 6.334 126.721 120.400 -0.021 0.000 2.525 713 K HA 0.663 4.898 4.320 -0.143 0.000 0.254 713 K C -1.816 174.944 176.600 0.267 0.000 0.934 713 K CA -0.506 55.845 56.287 0.106 0.000 0.802 713 K CB 2.120 34.659 32.500 0.065 0.000 1.295 713 K HN 0.555 nan 8.250 nan 0.000 0.433 714 I N 3.769 124.485 120.570 0.243 0.000 2.466 714 I HA 0.339 4.423 4.170 -0.143 0.000 0.289 714 I C -0.865 175.388 176.117 0.226 0.000 1.026 714 I CA -0.615 60.845 61.300 0.267 0.000 1.078 714 I CB 2.029 40.211 38.000 0.302 0.000 1.249 714 I HN 0.671 nan 8.210 nan 0.000 0.429 715 E N 6.140 126.455 120.200 0.191 0.000 2.343 715 E HA 0.655 4.920 4.350 -0.143 0.000 0.278 715 E C -1.612 175.065 176.600 0.127 0.000 0.910 715 E CA -1.140 55.347 56.400 0.146 0.000 0.757 715 E CB 3.260 33.025 29.700 0.108 0.000 1.218 715 E HN 0.487 nan 8.360 nan 0.000 0.435 716 K N 1.787 122.249 120.400 0.104 0.000 2.523 716 K HA 0.559 4.793 4.320 -0.143 0.000 0.257 716 K C -0.158 176.466 176.600 0.040 0.000 0.932 716 K CA 0.240 56.574 56.287 0.079 0.000 0.812 716 K CB 1.863 34.424 32.500 0.102 0.000 1.326 716 K HN 0.955 nan 8.250 nan 0.000 0.433 717 G N 2.145 110.959 108.800 0.023 0.000 2.584 717 G HA2 -0.202 3.672 3.960 -0.143 0.000 0.229 717 G HA3 -0.202 3.672 3.960 -0.143 0.000 0.229 717 G C -1.367 173.530 174.900 -0.005 0.000 1.320 717 G CA 0.041 45.140 45.100 -0.002 0.000 0.891 717 G HN 0.674 nan 8.290 nan 0.000 0.573 718 D N 0.267 120.652 120.400 -0.025 0.000 2.440 718 D HA 0.489 5.043 4.640 -0.143 0.000 0.252 718 D C 1.636 177.911 176.300 -0.042 0.000 1.180 718 D CA -0.541 53.447 54.000 -0.019 0.000 0.894 718 D CB 0.878 41.669 40.800 -0.016 0.000 1.111 718 D HN 0.344 nan 8.370 nan 0.000 0.544 719 L N 2.911 124.121 121.223 -0.021 0.000 2.056 719 L HA -0.104 4.150 4.340 -0.143 0.000 0.207 719 L C 2.393 179.293 176.870 0.050 0.000 1.078 719 L CA 0.824 55.642 54.840 -0.037 0.000 0.749 719 L CB 0.000 42.110 42.059 0.086 0.000 0.901 719 L HN 0.353 nan 8.230 nan 0.000 0.433 720 K N 0.079 120.534 120.400 0.093 0.000 2.032 720 K HA -0.253 3.981 4.320 -0.143 0.000 0.209 720 K C 2.151 178.798 176.600 0.078 0.000 1.048 720 K CA 1.412 57.770 56.287 0.118 0.000 0.927 720 K CB -0.103 32.438 32.500 0.069 0.000 0.712 720 K HN 0.191 nan 8.250 nan 0.000 0.441 721 K N 0.096 120.509 120.400 0.021 0.000 2.057 721 K HA -0.134 4.100 4.320 -0.143 0.000 0.207 721 K C 2.110 178.689 176.600 -0.037 0.000 1.049 721 K CA 1.644 57.928 56.287 -0.005 0.000 0.931 721 K CB -0.261 32.229 32.500 -0.018 0.000 0.714 721 K HN 0.228 nan 8.250 nan 0.000 0.440 722 G N 0.058 108.793 108.800 -0.109 0.000 2.408 722 G HA2 -0.204 3.670 3.960 -0.143 0.000 0.217 722 G HA3 -0.204 3.670 3.960 -0.143 0.000 0.217 722 G C 1.302 176.075 174.900 -0.212 0.000 1.150 722 G CA 0.465 45.438 45.100 -0.211 0.000 0.776 722 G HN 0.274 nan 8.290 nan 0.000 0.542 723 F N 1.832 121.757 119.950 -0.041 0.000 2.259 723 F HA -0.048 4.392 4.527 -0.144 0.000 0.298 723 F C 3.126 178.894 175.800 -0.054 0.000 1.088 723 F CA 1.115 59.084 58.000 -0.051 0.000 1.358 723 F CB 0.133 39.106 39.000 -0.044 0.000 1.040 723 F HN 0.251 nan 8.300 nan 0.000 0.505 724 S N -0.117 115.659 115.700 0.128 0.000 2.383 724 S HA -0.173 4.211 4.470 -0.143 0.000 0.227 724 S C 1.586 176.198 174.600 0.020 0.000 1.026 724 S CA 1.169 59.404 58.200 0.059 0.000 0.981 724 S CB -0.514 62.709 63.200 0.038 0.000 0.818 724 S HN 0.470 nan 8.310 nan 0.000 0.472 725 E N 1.592 121.792 120.200 -0.001 0.000 2.358 725 E HA 0.284 4.548 4.350 -0.143 0.000 0.195 725 E C 0.773 177.351 176.600 -0.036 0.000 1.010 725 E CA 0.314 56.700 56.400 -0.023 0.000 0.856 725 E CB -0.091 29.587 29.700 -0.035 0.000 0.795 725 E HN 0.698 nan 8.360 nan 0.000 0.504 726 A N 1.498 124.298 122.820 -0.034 0.000 2.440 726 A HA -0.009 4.225 4.320 -0.143 0.000 0.251 726 A C 0.484 178.007 177.584 -0.101 0.000 1.089 726 A CA -0.339 51.656 52.037 -0.070 0.000 0.779 726 A CB 0.383 19.356 19.000 -0.045 0.000 1.022 726 A HN -0.019 nan 8.150 nan 0.000 0.492 727 D N 0.856 121.171 120.400 -0.141 0.000 2.117 727 D HA -0.048 4.507 4.640 -0.143 0.000 0.198 727 D C 0.072 176.227 176.300 -0.241 0.000 0.982 727 D CA 1.421 55.328 54.000 -0.154 0.000 0.828 727 D CB 0.086 40.810 40.800 -0.127 0.000 0.967 727 D HN 0.605 nan 8.370 nan 0.000 0.464 728 N N -0.338 118.075 118.700 -0.479 0.000 2.229 728 N HA 0.371 5.025 4.740 -0.143 0.000 0.298 728 N C -1.137 173.976 175.510 -0.660 0.000 1.114 728 N CA -0.445 52.228 53.050 -0.628 0.000 0.776 728 N CB 3.309 41.153 38.487 -1.072 0.000 1.501 728 N HN -0.259 nan 8.380 nan 0.000 0.474 729 V N 1.268 120.997 119.914 -0.309 0.000 2.638 729 V HA 0.498 4.532 4.120 -0.143 0.000 0.306 729 V C -0.464 175.670 176.094 0.068 0.000 1.052 729 V CA -0.707 61.557 62.300 -0.061 0.000 0.885 729 V CB 2.156 33.956 31.823 -0.039 0.000 0.999 729 V HN 0.363 nan 8.190 nan 0.000 0.424 730 V N 3.314 123.385 119.914 0.261 0.000 2.588 730 V HA 0.631 4.666 4.120 -0.143 0.000 0.304 730 V C -0.169 176.067 176.094 0.237 0.000 1.042 730 V CA -0.229 62.242 62.300 0.285 0.000 0.877 730 V CB 2.388 34.477 31.823 0.443 0.000 0.996 730 V HN 0.903 nan 8.190 nan 0.000 0.425 731 S N 2.059 117.817 115.700 0.097 0.000 2.536 731 S HA 0.978 5.362 4.470 -0.143 0.000 0.298 731 S C 0.203 174.653 174.600 -0.251 0.000 1.083 731 S CA -0.076 58.070 58.200 -0.089 0.000 0.995 731 S CB 2.035 65.163 63.200 -0.120 0.000 1.058 731 S HN 1.241 nan 8.310 nan 0.000 0.488 732 G N 0.988 109.276 108.800 -0.854 0.000 2.561 732 G HA2 0.607 4.481 3.960 -0.143 0.000 0.310 732 G HA3 0.607 4.481 3.960 -0.143 0.000 0.310 732 G C -2.115 172.318 174.900 -0.778 0.000 1.292 732 G CA -0.685 44.030 45.100 -0.642 0.000 0.811 732 G HN 0.559 nan 8.290 nan 0.000 0.482 733 E N -1.281 118.772 120.200 -0.245 0.000 2.393 733 E HA 0.639 4.903 4.350 -0.143 0.000 0.273 733 E C -1.782 174.900 176.600 0.138 0.000 0.918 733 E CA -0.782 55.606 56.400 -0.020 0.000 0.773 733 E CB 3.115 32.823 29.700 0.013 0.000 1.275 733 E HN 0.380 nan 8.360 nan 0.000 0.451 734 L N 1.504 122.822 121.223 0.158 0.000 2.422 734 L HA 0.487 4.741 4.340 -0.143 0.000 0.264 734 L C -1.992 174.970 176.870 0.154 0.000 0.984 734 L CA -0.695 54.153 54.840 0.013 0.000 0.819 734 L CB 1.696 43.658 42.059 -0.163 0.000 1.330 734 L HN 0.572 nan 8.230 nan 0.000 0.410 735 Y N 4.766 125.079 120.300 0.022 0.000 2.393 735 Y HA 0.768 5.231 4.550 -0.144 0.000 0.341 735 Y C -1.097 174.849 175.900 0.076 0.000 0.988 735 Y CA -0.992 57.157 58.100 0.081 0.000 1.078 735 Y CB 1.454 39.958 38.460 0.074 0.000 1.203 735 Y HN 0.509 nan 8.280 nan 0.000 0.453 736 I N 6.049 126.281 120.570 -0.562 0.000 2.410 736 I HA 0.431 4.515 4.170 -0.143 0.000 0.286 736 I C 0.596 176.387 176.117 -0.542 0.000 1.009 736 I CA -0.934 60.158 61.300 -0.346 0.000 1.111 736 I CB 1.599 39.514 38.000 -0.142 0.000 1.262 736 I HN 0.848 nan 8.210 nan 0.000 0.443 737 G N 3.777 112.422 108.800 -0.258 0.000 2.594 737 G HA2 0.432 4.307 3.960 -0.143 0.000 0.243 737 G HA3 0.432 4.307 3.960 -0.143 0.000 0.243 737 G C 0.494 175.359 174.900 -0.059 0.000 1.229 737 G CA -0.041 45.015 45.100 -0.073 0.000 0.843 737 G HN 0.727 nan 8.290 nan 0.000 0.578 738 G N -1.295 107.517 108.800 0.020 0.000 2.514 738 G HA2 0.504 4.378 3.960 -0.143 0.000 0.245 738 G HA3 0.504 4.378 3.960 -0.143 0.000 0.245 738 G C -0.234 174.652 174.900 -0.023 0.000 1.488 738 G CA -0.224 44.881 45.100 0.008 0.000 1.063 738 G HN 0.732 nan 8.290 nan 0.000 0.557 739 Q N -1.426 118.365 119.800 -0.014 0.000 2.403 739 Q HA 0.305 4.559 4.340 -0.143 0.000 0.267 739 Q C -1.832 174.243 176.000 0.125 0.000 0.991 739 Q CA -0.666 55.138 55.803 0.001 0.000 0.906 739 Q CB 2.180 30.645 28.738 -0.456 0.000 1.422 739 Q HN 0.530 nan 8.270 nan 0.000 0.400 740 E N 1.105 121.353 120.200 0.080 0.000 2.249 740 E HA 0.194 4.458 4.350 -0.143 0.000 0.280 740 E C -0.229 176.444 176.600 0.123 0.000 1.016 740 E CA 0.304 56.653 56.400 -0.086 0.000 0.830 740 E CB 0.755 30.120 29.700 -0.560 0.000 1.081 740 E HN 0.667 nan 8.360 nan 0.000 0.395 741 H N 3.966 122.965 119.070 -0.118 0.000 2.387 741 H HA 0.012 4.482 4.556 -0.142 0.000 0.299 741 H C 0.126 175.285 175.328 -0.282 0.000 1.090 741 H CA 1.367 57.110 56.048 -0.508 0.000 1.332 741 H CB -0.337 28.997 29.762 -0.712 0.000 1.386 741 H HN 0.669 nan 8.280 nan 0.000 0.516 742 F N 0.470 120.160 119.950 -0.434 0.000 3.027 742 F HA -0.278 4.165 4.527 -0.140 0.000 0.276 742 F C -0.634 175.100 175.800 -0.111 0.000 0.967 742 F CA -0.407 57.451 58.000 -0.237 0.000 0.929 742 F CB -1.831 37.192 39.000 0.039 0.000 0.873 742 F HN 0.213 nan 8.300 nan 0.000 0.787 743 Y N -0.688 119.749 120.300 0.229 0.000 2.712 743 Y HA 0.126 4.591 4.550 -0.142 0.000 0.333 743 Y C 1.158 177.063 175.900 0.008 0.000 1.225 743 Y CA -1.007 57.250 58.100 0.262 0.000 1.499 743 Y CB 0.194 38.691 38.460 0.063 0.000 1.288 743 Y HN 0.120 nan 8.280 nan 0.000 0.575 744 L N 1.510 122.882 121.223 0.249 0.000 2.217 744 L HA -0.033 4.221 4.340 -0.143 0.000 0.211 744 L C 0.992 177.768 176.870 -0.156 0.000 1.107 744 L CA 1.259 56.203 54.840 0.173 0.000 0.783 744 L CB -0.622 41.667 42.059 0.383 0.000 0.919 744 L HN 0.844 nan 8.230 nan 0.000 0.442 745 E N 0.810 120.617 120.200 -0.655 0.000 2.130 745 E HA 0.145 4.409 4.350 -0.143 0.000 0.284 745 E C -0.011 176.357 176.600 -0.388 0.000 1.018 745 E CA -0.294 55.458 56.400 -1.080 0.000 0.817 745 E CB 0.961 29.781 29.700 -1.466 0.000 1.078 745 E HN 0.234 nan 8.360 nan 0.000 0.396 746 T N 2.124 116.551 114.554 -0.211 0.000 2.698 746 T HA 0.133 4.397 4.350 -0.143 0.000 0.295 746 T C 0.667 175.210 174.700 -0.261 0.000 1.007 746 T CA -0.782 61.258 62.100 -0.100 0.000 0.980 746 T CB 0.378 69.248 68.868 0.004 0.000 1.036 746 T HN 0.383 nan 8.240 nan 0.000 0.526 747 N N -0.026 118.538 118.700 -0.227 0.000 2.492 747 N HA 0.275 4.929 4.740 -0.143 0.000 0.262 747 N C -0.792 174.662 175.510 -0.093 0.000 1.202 747 N CA 0.004 52.932 53.050 -0.203 0.000 0.926 747 N CB 0.643 39.051 38.487 -0.132 0.000 1.078 747 N HN 0.713 nan 8.380 nan 0.000 0.454 748 C N 1.632 120.885 119.300 -0.077 0.000 2.891 748 C HA 0.540 4.914 4.460 -0.143 0.000 0.342 748 C C -0.761 174.234 174.990 0.008 0.000 1.126 748 C CA -0.249 58.760 59.018 -0.015 0.000 1.322 748 C CB 1.226 28.961 27.740 -0.008 0.000 1.763 748 C HN 0.697 nan 8.230 nan 0.000 0.491 749 T N 5.677 120.257 114.554 0.042 0.000 2.952 749 T HA 0.575 4.839 4.350 -0.143 0.000 0.305 749 T C -1.054 173.709 174.700 0.104 0.000 1.064 749 T CA -0.185 61.956 62.100 0.069 0.000 1.008 749 T CB 1.136 70.034 68.868 0.050 0.000 1.078 749 T HN 0.575 nan 8.240 nan 0.000 0.459 750 I N 2.433 123.101 120.570 0.163 0.000 2.404 750 I HA 0.701 4.785 4.170 -0.143 0.000 0.293 750 I C 0.024 176.279 176.117 0.230 0.000 0.992 750 I CA -0.882 60.535 61.300 0.195 0.000 1.149 750 I CB 1.613 39.751 38.000 0.230 0.000 1.315 750 I HN 0.682 nan 8.210 nan 0.000 0.446 751 A N 6.365 129.288 122.820 0.171 0.000 2.318 751 A HA 0.768 5.002 4.320 -0.143 0.000 0.317 751 A C -0.856 176.815 177.584 0.146 0.000 1.159 751 A CA -0.492 51.627 52.037 0.137 0.000 0.799 751 A CB 1.288 20.340 19.000 0.085 0.000 1.194 751 A HN 0.435 nan 8.150 nan 0.000 0.479 752 V N 5.354 125.359 119.914 0.152 0.000 2.326 752 V HA 0.388 4.422 4.120 -0.143 0.000 0.281 752 V C -2.266 173.854 176.094 0.043 0.000 1.015 752 V CA -1.536 60.832 62.300 0.113 0.000 0.823 752 V CB 1.336 33.295 31.823 0.226 0.000 1.009 752 V HN 0.834 nan 8.190 nan 0.000 0.436 753 P HA 0.313 nan 4.420 nan 0.000 0.279 753 P C -0.241 177.046 177.300 -0.021 0.000 1.239 753 P CA -0.398 62.706 63.100 0.006 0.000 0.789 753 P CB 1.494 33.197 31.700 0.005 0.000 0.933 754 K N 1.389 121.785 120.400 -0.006 0.000 2.358 754 K HA 0.181 4.415 4.320 -0.143 0.000 0.200 754 K C 1.410 178.001 176.600 -0.015 0.000 1.030 754 K CA 0.498 56.775 56.287 -0.016 0.000 1.097 754 K CB -0.230 32.268 32.500 -0.003 0.000 0.862 754 K HN 0.835 nan 8.250 nan 0.000 0.534 755 G N 1.907 110.703 108.800 -0.007 0.000 2.184 755 G HA2 -0.282 3.592 3.960 -0.143 0.000 0.264 755 G HA3 -0.282 3.592 3.960 -0.143 0.000 0.264 755 G C -0.190 174.711 174.900 0.000 0.000 0.975 755 G CA 0.324 45.418 45.100 -0.010 0.000 0.642 755 G HN 0.395 nan 8.290 nan 0.000 0.536 756 E N -0.742 119.461 120.200 0.005 0.000 2.210 756 E HA 0.586 4.851 4.350 -0.143 0.000 0.266 756 E C 0.758 177.365 176.600 0.012 0.000 0.883 756 E CA -0.453 55.951 56.400 0.007 0.000 0.761 756 E CB 1.582 31.283 29.700 0.002 0.000 1.156 756 E HN 1.436 nan 8.360 nan 0.000 0.412 757 A N 2.905 125.733 122.820 0.013 0.000 2.826 757 A HA -0.250 3.984 4.320 -0.143 0.000 0.274 757 A C 1.350 178.940 177.584 0.011 0.000 1.443 757 A CA 1.264 53.307 52.037 0.010 0.000 0.833 757 A CB -2.289 16.712 19.000 0.003 0.000 1.023 757 A HN 1.426 nan 8.150 nan 0.000 0.600 758 G N -1.965 106.852 108.800 0.027 0.000 2.155 758 G HA2 -0.284 3.590 3.960 -0.143 0.000 0.257 758 G HA3 -0.284 3.590 3.960 -0.143 0.000 0.257 758 G C -0.113 174.796 174.900 0.016 0.000 0.983 758 G CA 0.958 46.076 45.100 0.030 0.000 0.676 758 G HN 1.225 nan 8.290 nan 0.000 0.528 759 E N -0.479 119.728 120.200 0.013 0.000 2.384 759 E HA 0.528 4.793 4.350 -0.143 0.000 0.266 759 E C 0.432 177.036 176.600 0.007 0.000 1.012 759 E CA 0.389 56.790 56.400 0.002 0.000 0.901 759 E CB 0.695 30.395 29.700 -0.000 0.000 0.967 759 E HN 0.464 nan 8.360 nan 0.000 0.435 760 M N 2.222 121.819 119.600 -0.005 0.000 2.470 760 M HA 0.274 4.668 4.480 -0.143 0.000 0.285 760 M C -1.774 174.507 176.300 -0.031 0.000 1.213 760 M CA -0.486 54.813 55.300 -0.001 0.000 0.901 760 M CB 2.214 34.819 32.600 0.009 0.000 1.718 760 M HN 0.483 nan 8.290 nan 0.000 0.469 761 E N 3.051 123.232 120.200 -0.032 0.000 2.222 761 E HA 0.683 4.947 4.350 -0.143 0.000 0.267 761 E C -2.105 174.398 176.600 -0.162 0.000 0.884 761 E CA -0.645 55.676 56.400 -0.131 0.000 0.764 761 E CB 1.837 31.471 29.700 -0.111 0.000 1.169 761 E HN 0.609 nan 8.360 nan 0.000 0.413 762 L N 3.962 125.013 121.223 -0.287 0.000 2.386 762 L HA 0.499 4.753 4.340 -0.143 0.000 0.271 762 L C -1.214 175.424 176.870 -0.388 0.000 0.993 762 L CA -0.398 54.338 54.840 -0.173 0.000 0.819 762 L CB 1.374 43.385 42.059 -0.080 0.000 1.294 762 L HN 0.525 nan 8.230 nan 0.000 0.414 763 F N 2.663 122.625 119.950 0.019 0.000 2.402 763 F HA 0.727 5.168 4.527 -0.143 0.000 0.355 763 F C -0.136 175.664 175.800 -0.001 0.000 1.123 763 F CA -0.787 57.219 58.000 0.011 0.000 1.021 763 F CB 1.667 40.681 39.000 0.024 0.000 1.160 763 F HN 0.021 nan 8.300 nan 0.000 0.451 764 V N 1.456 121.418 119.914 0.081 0.000 2.925 764 V HA 0.348 4.382 4.120 -0.143 0.000 0.311 764 V C -0.404 175.687 176.094 -0.004 0.000 1.104 764 V CA -1.080 61.236 62.300 0.027 0.000 0.954 764 V CB 2.224 34.031 31.823 -0.027 0.000 1.022 764 V HN 0.634 nan 8.190 nan 0.000 0.427 765 S N 2.440 118.116 115.700 -0.039 0.000 3.036 765 S HA 0.462 4.846 4.470 -0.143 0.000 0.301 765 S C -0.178 174.336 174.600 -0.144 0.000 1.205 765 S CA 0.006 58.150 58.200 -0.094 0.000 0.999 765 S CB -0.370 62.749 63.200 -0.136 0.000 1.337 765 S HN 0.959 nan 8.310 nan 0.000 0.515 766 T N 3.247 117.729 114.554 -0.120 0.000 2.916 766 T HA 0.338 4.602 4.350 -0.143 0.000 0.305 766 T C 0.420 175.050 174.700 -0.117 0.000 1.119 766 T CA -0.543 61.478 62.100 -0.131 0.000 1.008 766 T CB 1.657 70.458 68.868 -0.111 0.000 1.129 766 T HN 0.551 nan 8.240 nan 0.000 0.480 767 Q N 1.850 121.580 119.800 -0.118 0.000 2.444 767 Q HA 0.192 4.446 4.340 -0.143 0.000 0.206 767 Q C 0.173 176.132 176.000 -0.068 0.000 0.948 767 Q CA 0.217 55.968 55.803 -0.087 0.000 0.946 767 Q CB 0.232 28.926 28.738 -0.074 0.000 1.027 767 Q HN 0.315 nan 8.270 nan 0.000 0.513 768 N N 0.105 118.750 118.700 -0.091 0.000 2.750 768 N HA 0.021 4.675 4.740 -0.143 0.000 0.253 768 N C 0.326 175.754 175.510 -0.136 0.000 1.408 768 N CA 0.070 53.056 53.050 -0.107 0.000 0.780 768 N CB 0.898 39.310 38.487 -0.124 0.000 1.191 768 N HN 0.103 nan 8.380 nan 0.000 0.511 769 T N -0.448 114.039 114.554 -0.112 0.000 2.788 769 T HA -0.175 4.090 4.350 -0.143 0.000 0.268 769 T C 1.841 176.458 174.700 -0.139 0.000 1.044 769 T CA 0.853 62.883 62.100 -0.118 0.000 1.139 769 T CB -0.007 68.804 68.868 -0.096 0.000 0.867 769 T HN 0.419 nan 8.240 nan 0.000 0.454 770 M N 0.425 119.943 119.600 -0.137 0.000 2.099 770 M HA -0.056 4.338 4.480 -0.143 0.000 0.262 770 M C 2.110 178.272 176.300 -0.229 0.000 1.067 770 M CA 1.588 56.801 55.300 -0.145 0.000 1.124 770 M CB -0.129 32.403 32.600 -0.114 0.000 1.353 770 M HN 0.026 nan 8.290 nan 0.000 0.410 771 K N -0.292 119.911 120.400 -0.328 0.000 2.148 771 K HA -0.057 4.177 4.320 -0.143 0.000 0.204 771 K C 1.863 178.031 176.600 -0.719 0.000 1.050 771 K CA 1.725 57.621 56.287 -0.651 0.000 0.942 771 K CB -0.775 31.251 32.500 -0.790 0.000 0.724 771 K HN 0.437 nan 8.250 nan 0.000 0.446 772 T N 1.730 116.051 114.554 -0.389 0.000 2.708 772 T HA -0.185 4.079 4.350 -0.143 0.000 0.266 772 T C 1.948 176.555 174.700 -0.154 0.000 1.037 772 T CA 1.430 63.390 62.100 -0.235 0.000 1.146 772 T CB -0.058 68.721 68.868 -0.148 0.000 0.865 772 T HN 0.368 nan 8.240 nan 0.000 0.435 773 Q N 0.653 120.363 119.800 -0.150 0.000 2.050 773 Q HA -0.118 4.136 4.340 -0.143 0.000 0.202 773 Q C 2.456 178.419 176.000 -0.061 0.000 0.980 773 Q CA 1.641 57.387 55.803 -0.095 0.000 0.840 773 Q CB -0.204 28.476 28.738 -0.096 0.000 0.898 773 Q HN 0.385 nan 8.270 nan 0.000 0.424 774 S N 0.277 115.922 115.700 -0.092 0.000 2.359 774 S HA -0.115 4.269 4.470 -0.143 0.000 0.224 774 S C 1.568 176.263 174.600 0.158 0.000 1.035 774 S CA 1.221 59.418 58.200 -0.004 0.000 1.018 774 S CB -0.311 62.867 63.200 -0.037 0.000 0.876 774 S HN 0.386 nan 8.310 nan 0.000 0.448 775 F N 1.049 120.961 119.950 -0.063 0.000 2.206 775 F HA 0.043 4.484 4.527 -0.143 0.000 0.298 775 F C 2.385 178.143 175.800 -0.071 0.000 1.090 775 F CA -0.300 57.659 58.000 -0.067 0.000 1.323 775 F CB -1.403 37.556 39.000 -0.068 0.000 1.028 775 F HN 0.024 nan 8.300 nan 0.000 0.492 776 V N 0.060 120.046 119.914 0.119 0.000 2.358 776 V HA -0.237 3.797 4.120 -0.143 0.000 0.246 776 V C 2.637 178.733 176.094 0.003 0.000 1.047 776 V CA 1.658 63.979 62.300 0.035 0.000 1.035 776 V CB -1.257 30.569 31.823 0.005 0.000 0.658 776 V HN 0.296 nan 8.190 nan 0.000 0.452 777 A N -0.326 122.497 122.820 0.006 0.000 1.898 777 A HA -0.242 3.992 4.320 -0.143 0.000 0.216 777 A C 2.328 179.900 177.584 -0.019 0.000 1.181 777 A CA 2.098 54.124 52.037 -0.018 0.000 0.620 777 A CB -0.443 18.548 19.000 -0.016 0.000 0.819 777 A HN 0.513 nan 8.150 nan 0.000 0.442 778 K N -0.805 119.599 120.400 0.007 0.000 2.057 778 K HA -0.097 4.137 4.320 -0.143 0.000 0.206 778 K C 2.127 178.704 176.600 -0.038 0.000 1.050 778 K CA 1.542 57.823 56.287 -0.011 0.000 0.935 778 K CB -0.236 32.267 32.500 0.004 0.000 0.715 778 K HN 0.536 nan 8.250 nan 0.000 0.439 779 M N 0.639 120.214 119.600 -0.043 0.000 2.117 779 M HA -0.152 4.243 4.480 -0.143 0.000 0.262 779 M C 1.651 177.907 176.300 -0.073 0.000 1.065 779 M CA 1.528 56.789 55.300 -0.065 0.000 1.114 779 M CB 0.020 32.577 32.600 -0.072 0.000 1.361 779 M HN 0.191 nan 8.290 nan 0.000 0.408 780 L N -0.092 121.076 121.223 -0.091 0.000 2.240 780 L HA 0.069 4.323 4.340 -0.143 0.000 0.211 780 L C 1.315 178.101 176.870 -0.140 0.000 1.106 780 L CA 0.682 55.425 54.840 -0.163 0.000 0.793 780 L CB -0.594 41.347 42.059 -0.196 0.000 0.927 780 L HN 0.693 nan 8.230 nan 0.000 0.446 781 G N 0.916 109.664 108.800 -0.087 0.000 2.212 781 G HA2 -0.202 3.673 3.960 -0.143 0.000 0.255 781 G HA3 -0.202 3.673 3.960 -0.143 0.000 0.255 781 G C 0.002 174.865 174.900 -0.062 0.000 1.062 781 G CA 0.206 45.268 45.100 -0.064 0.000 0.815 781 G HN 0.289 nan 8.290 nan 0.000 0.497 782 V N -3.437 116.439 119.914 -0.063 0.000 2.960 782 V HA 0.964 4.998 4.120 -0.143 0.000 0.315 782 V C -2.009 174.063 176.094 -0.037 0.000 1.087 782 V CA -2.865 59.405 62.300 -0.050 0.000 0.982 782 V CB 1.919 33.708 31.823 -0.057 0.000 1.039 782 V HN 0.064 nan 8.190 nan 0.000 0.437 783 P HA 0.228 nan 4.420 nan 0.000 0.269 783 P C 0.007 177.290 177.300 -0.029 0.000 1.215 783 P CA -0.006 63.078 63.100 -0.027 0.000 0.780 783 P CB 0.447 32.133 31.700 -0.025 0.000 0.898 784 D N 1.133 121.515 120.400 -0.029 0.000 2.221 784 D HA -0.153 4.401 4.640 -0.143 0.000 0.204 784 D C 1.335 177.615 176.300 -0.034 0.000 0.982 784 D CA 1.250 55.230 54.000 -0.033 0.000 0.857 784 D CB -0.548 40.231 40.800 -0.036 0.000 0.934 784 D HN 0.500 nan 8.370 nan 0.000 0.475 785 N N 0.664 119.347 118.700 -0.030 0.000 2.573 785 N HA -0.149 4.505 4.740 -0.143 0.000 0.187 785 N C 1.200 176.694 175.510 -0.026 0.000 1.107 785 N CA 0.631 53.665 53.050 -0.027 0.000 0.918 785 N CB -0.149 38.324 38.487 -0.023 0.000 0.966 785 N HN 0.029 nan 8.380 nan 0.000 0.448 786 R N -0.316 120.168 120.500 -0.027 0.000 2.280 786 R HA 0.246 4.500 4.340 -0.143 0.000 0.195 786 R C -0.122 176.161 176.300 -0.030 0.000 0.935 786 R CA -0.018 56.067 56.100 -0.024 0.000 1.033 786 R CB 0.272 30.558 30.300 -0.022 0.000 0.964 786 R HN 0.253 nan 8.270 nan 0.000 0.489 787 I N 1.389 121.936 120.570 -0.038 0.000 2.378 787 I HA 0.278 4.362 4.170 -0.143 0.000 0.291 787 I C -0.170 175.909 176.117 -0.063 0.000 0.992 787 I CA -1.289 59.983 61.300 -0.047 0.000 1.154 787 I CB 1.919 39.891 38.000 -0.046 0.000 1.315 787 I HN -0.361 nan 8.210 nan 0.000 0.448 788 V N 7.036 126.900 119.914 -0.083 0.000 2.555 788 V HA 0.553 4.587 4.120 -0.143 0.000 0.302 788 V C -0.105 175.895 176.094 -0.156 0.000 1.038 788 V CA -0.732 61.503 62.300 -0.109 0.000 0.887 788 V CB 2.670 34.425 31.823 -0.113 0.000 0.991 788 V HN 0.426 nan 8.190 nan 0.000 0.434 789 V N 5.662 125.483 119.914 -0.154 0.000 2.487 789 V HA 0.578 4.612 4.120 -0.143 0.000 0.298 789 V C -0.217 175.764 176.094 -0.189 0.000 1.028 789 V CA -0.733 61.460 62.300 -0.179 0.000 0.860 789 V CB 1.979 33.723 31.823 -0.131 0.000 0.991 789 V HN 0.839 nan 8.190 nan 0.000 0.427 790 R N 3.188 123.533 120.500 -0.258 0.000 2.534 790 R HA 0.807 5.061 4.340 -0.143 0.000 0.301 790 R C -1.550 174.697 176.300 -0.089 0.000 0.961 790 R CA -0.681 55.305 56.100 -0.191 0.000 0.871 790 R CB 2.506 32.621 30.300 -0.309 0.000 1.170 790 R HN 0.486 nan 8.270 nan 0.000 0.446 791 V N 3.531 123.421 119.914 -0.040 0.000 2.443 791 V HA 0.174 4.208 4.120 -0.143 0.000 0.293 791 V C 0.693 176.802 176.094 0.025 0.000 1.021 791 V CA -0.594 61.705 62.300 -0.002 0.000 0.848 791 V CB 1.565 33.370 31.823 -0.031 0.000 0.998 791 V HN 0.796 nan 8.190 nan 0.000 0.424 792 K N 4.787 125.216 120.400 0.049 0.000 2.044 792 K HA 0.207 4.441 4.320 -0.143 0.000 0.204 792 K C 0.690 177.307 176.600 0.028 0.000 1.045 792 K CA 0.818 57.128 56.287 0.038 0.000 0.951 792 K CB 0.375 32.889 32.500 0.023 0.000 0.738 792 K HN 0.786 nan 8.250 nan 0.000 0.443 793 R N -0.919 119.572 120.500 -0.015 0.000 2.712 793 R HA 0.339 4.594 4.340 -0.143 0.000 0.272 793 R C -1.483 174.817 176.300 -0.000 0.000 1.032 793 R CA -0.895 55.188 56.100 -0.029 0.000 0.874 793 R CB 0.776 31.026 30.300 -0.084 0.000 1.256 793 R HN -0.071 nan 8.270 nan 0.000 0.468 794 M N 0.725 120.329 119.600 0.007 0.000 2.436 794 M HA 0.396 4.791 4.480 -0.143 0.000 0.331 794 M C 0.493 176.847 176.300 0.090 0.000 1.135 794 M CA -0.699 54.602 55.300 0.001 0.000 0.987 794 M CB 2.372 34.892 32.600 -0.134 0.000 1.687 794 M HN 0.925 nan 8.290 nan 0.000 0.445 795 G N 1.776 110.585 108.800 0.014 0.000 3.213 795 G HA2 0.490 4.364 3.960 -0.143 0.000 0.263 795 G HA3 0.490 4.364 3.960 -0.143 0.000 0.263 795 G C 0.358 175.177 174.900 -0.136 0.000 0.829 795 G CA 0.269 45.305 45.100 -0.106 0.000 1.983 795 G HN 1.095 nan 8.290 nan 0.000 0.616 796 G N -0.931 107.779 108.800 -0.149 0.000 2.719 796 G HA2 0.355 4.230 3.960 -0.143 0.000 0.686 796 G HA3 0.355 4.230 3.960 -0.143 0.000 0.686 796 G C 0.554 175.207 174.900 -0.412 0.000 1.201 796 G CA -0.295 44.580 45.100 -0.375 0.000 0.768 796 G HN 1.302 nan 8.290 nan 0.000 0.629 797 G N -0.917 107.440 108.800 -0.738 0.000 2.641 797 G HA2 0.548 4.422 3.960 -0.143 0.000 0.211 797 G HA3 0.548 4.422 3.960 -0.143 0.000 0.211 797 G C 0.843 175.646 174.900 -0.162 0.000 1.338 797 G CA 0.816 45.705 45.100 -0.352 0.000 0.572 797 G HN 1.760 nan 8.290 nan 0.000 1.023 798 F N 0.665 120.619 119.950 0.005 0.000 3.006 798 F HA -0.204 4.239 4.527 -0.141 0.000 0.289 798 F C 1.986 177.789 175.800 0.005 0.000 0.772 798 F CA 0.944 58.940 58.000 -0.005 0.000 1.162 798 F CB -1.453 37.489 39.000 -0.096 0.000 1.382 798 F HN 1.237 nan 8.300 nan 0.000 0.406 799 G N -0.925 107.928 108.800 0.088 0.000 2.279 799 G HA2 -0.206 3.668 3.960 -0.143 0.000 0.223 799 G HA3 -0.206 3.668 3.960 -0.143 0.000 0.223 799 G C 1.119 175.984 174.900 -0.058 0.000 1.015 799 G CA 0.149 45.325 45.100 0.126 0.000 0.621 799 G HN 1.206 nan 8.290 nan 0.000 0.506 800 G N 0.078 108.544 108.800 -0.558 0.000 2.559 800 G HA2 0.175 4.049 3.960 -0.143 0.000 0.216 800 G HA3 0.175 4.049 3.960 -0.143 0.000 0.216 800 G C 1.148 175.899 174.900 -0.249 0.000 1.126 800 G CA 1.375 45.980 45.100 -0.825 0.000 0.778 800 G HN 0.519 nan 8.290 nan 0.000 0.543 801 K N -0.237 120.036 120.400 -0.213 0.000 2.537 801 K HA 0.186 4.420 4.320 -0.143 0.000 0.206 801 K C 1.300 177.835 176.600 -0.109 0.000 1.041 801 K CA -0.120 56.048 56.287 -0.198 0.000 1.090 801 K CB 0.762 33.080 32.500 -0.304 0.000 0.833 801 K HN 0.338 nan 8.250 nan 0.000 0.493 802 E N 0.781 120.956 120.200 -0.042 0.000 2.112 802 E HA -0.121 4.143 4.350 -0.143 0.000 0.190 802 E C 1.334 177.939 176.600 0.009 0.000 0.979 802 E CA 1.778 58.183 56.400 0.009 0.000 0.814 802 E CB 0.448 30.205 29.700 0.095 0.000 0.762 802 E HN 0.267 nan 8.360 nan 0.000 0.460 803 T N -3.006 111.571 114.554 0.038 0.000 3.048 803 T HA 0.206 4.470 4.350 -0.143 0.000 0.254 803 T C 1.598 176.339 174.700 0.069 0.000 0.942 803 T CA -0.587 61.547 62.100 0.057 0.000 0.931 803 T CB -0.031 68.918 68.868 0.135 0.000 1.220 803 T HN -0.084 nan 8.240 nan 0.000 0.503 804 R N 2.591 123.124 120.500 0.054 0.000 2.276 804 R HA 0.183 4.437 4.340 -0.143 0.000 0.203 804 R C 2.604 178.920 176.300 0.027 0.000 1.017 804 R CA 1.107 57.243 56.100 0.060 0.000 1.010 804 R CB -0.997 29.347 30.300 0.074 0.000 0.900 804 R HN 0.725 nan 8.270 nan 0.000 0.469 805 S N 0.510 116.197 115.700 -0.021 0.000 2.419 805 S HA -0.161 4.223 4.470 -0.143 0.000 0.233 805 S C 1.998 176.595 174.600 -0.005 0.000 1.016 805 S CA 1.633 59.803 58.200 -0.050 0.000 0.974 805 S CB -0.678 62.461 63.200 -0.101 0.000 0.786 805 S HN 0.463 nan 8.310 nan 0.000 0.492 806 T N 0.808 115.384 114.554 0.036 0.000 2.962 806 T HA -0.043 4.221 4.350 -0.143 0.000 0.270 806 T C 1.869 176.617 174.700 0.080 0.000 1.088 806 T CA 1.021 63.174 62.100 0.088 0.000 1.127 806 T CB -1.040 67.975 68.868 0.244 0.000 0.883 806 T HN 0.643 nan 8.240 nan 0.000 0.493 807 V N -0.321 119.630 119.914 0.062 0.000 2.759 807 V HA 0.027 4.061 4.120 -0.143 0.000 0.256 807 V C 2.343 178.453 176.094 0.027 0.000 1.080 807 V CA 0.949 63.269 62.300 0.032 0.000 1.101 807 V CB -1.064 30.786 31.823 0.046 0.000 0.698 807 V HN 0.394 nan 8.190 nan 0.000 0.477 808 V N 0.733 120.669 119.914 0.036 0.000 2.379 808 V HA -0.118 3.916 4.120 -0.143 0.000 0.243 808 V C 2.841 178.956 176.094 0.035 0.000 1.035 808 V CA 2.127 64.453 62.300 0.043 0.000 1.035 808 V CB -0.656 31.187 31.823 0.034 0.000 0.673 808 V HN 0.581 nan 8.190 nan 0.000 0.457 809 S N 0.858 116.572 115.700 0.024 0.000 2.370 809 S HA -0.230 4.154 4.470 -0.143 0.000 0.226 809 S C 2.190 176.803 174.600 0.022 0.000 1.033 809 S CA 2.133 60.347 58.200 0.022 0.000 1.011 809 S CB -0.522 62.683 63.200 0.008 0.000 0.852 809 S HN 0.872 nan 8.310 nan 0.000 0.457 810 T N 0.856 115.414 114.554 0.008 0.000 2.777 810 T HA 0.101 4.365 4.350 -0.143 0.000 0.266 810 T C 1.958 176.631 174.700 -0.044 0.000 1.040 810 T CA 1.036 63.120 62.100 -0.027 0.000 1.141 810 T CB -0.578 68.244 68.868 -0.077 0.000 0.868 810 T HN 0.338 nan 8.240 nan 0.000 0.444 811 A N 1.893 124.689 122.820 -0.040 0.000 1.877 811 A HA 0.132 4.366 4.320 -0.143 0.000 0.216 811 A C 2.478 180.136 177.584 0.124 0.000 1.186 811 A CA 1.423 53.505 52.037 0.075 0.000 0.620 811 A CB -0.982 18.116 19.000 0.163 0.000 0.822 811 A HN 0.536 nan 8.150 nan 0.000 0.443 812 L N -0.913 120.364 121.223 0.089 0.000 2.083 812 L HA -0.187 4.067 4.340 -0.143 0.000 0.209 812 L C 3.095 180.013 176.870 0.080 0.000 1.083 812 L CA 1.007 55.898 54.840 0.086 0.000 0.752 812 L CB -0.591 41.514 42.059 0.077 0.000 0.899 812 L HN 0.459 nan 8.230 nan 0.000 0.433 813 A N 0.077 122.936 122.820 0.065 0.000 1.902 813 A HA -0.218 4.016 4.320 -0.143 0.000 0.217 813 A C 2.199 179.837 177.584 0.091 0.000 1.181 813 A CA 1.552 53.626 52.037 0.063 0.000 0.623 813 A CB -0.632 18.388 19.000 0.034 0.000 0.818 813 A HN 0.320 nan 8.150 nan 0.000 0.443 814 L N -0.105 121.174 121.223 0.094 0.000 2.046 814 L HA -0.064 4.191 4.340 -0.143 0.000 0.208 814 L C 2.639 179.594 176.870 0.142 0.000 1.077 814 L CA 2.216 57.138 54.840 0.137 0.000 0.747 814 L CB -0.919 41.238 42.059 0.162 0.000 0.896 814 L HN 0.343 nan 8.230 nan 0.000 0.432 815 A N -0.370 122.516 122.820 0.110 0.000 1.883 815 A HA -0.158 4.076 4.320 -0.143 0.000 0.217 815 A C 2.454 180.065 177.584 0.043 0.000 1.186 815 A CA 2.116 54.190 52.037 0.062 0.000 0.624 815 A CB -1.246 17.789 19.000 0.057 0.000 0.822 815 A HN 0.600 nan 8.150 nan 0.000 0.444 816 A N -1.091 121.767 122.820 0.063 0.000 1.930 816 A HA -0.111 4.123 4.320 -0.143 0.000 0.217 816 A C 1.995 179.602 177.584 0.038 0.000 1.175 816 A CA 2.021 54.085 52.037 0.045 0.000 0.627 816 A CB -0.836 18.201 19.000 0.062 0.000 0.815 816 A HN 0.814 nan 8.150 nan 0.000 0.443 817 H N 0.008 119.083 119.070 0.007 0.000 2.321 817 H HA -0.107 4.363 4.556 -0.143 0.000 0.300 817 H C 2.027 177.354 175.328 -0.002 0.000 1.087 817 H CA 2.258 58.307 56.048 0.002 0.000 1.319 817 H CB -0.154 29.612 29.762 0.006 0.000 1.379 817 H HN 0.435 nan 8.280 nan 0.000 0.501 818 K N -0.658 119.645 120.400 -0.162 0.000 2.063 818 K HA -0.133 4.102 4.320 -0.143 0.000 0.208 818 K C 2.034 178.532 176.600 -0.170 0.000 1.048 818 K CA 1.998 58.172 56.287 -0.188 0.000 0.928 818 K CB -0.111 32.360 32.500 -0.048 0.000 0.713 818 K HN 0.600 nan 8.250 nan 0.000 0.442 819 T N -3.869 110.618 114.554 -0.112 0.000 3.051 819 T HA 0.158 4.422 4.350 -0.143 0.000 0.255 819 T C 1.365 176.011 174.700 -0.090 0.000 1.085 819 T CA 0.556 62.604 62.100 -0.087 0.000 1.109 819 T CB 0.180 69.013 68.868 -0.059 0.000 0.921 819 T HN 0.373 nan 8.240 nan 0.000 0.488 820 G N 1.669 110.407 108.800 -0.102 0.000 2.168 820 G HA2 -0.273 3.601 3.960 -0.143 0.000 0.257 820 G HA3 -0.273 3.601 3.960 -0.143 0.000 0.257 820 G C 0.054 174.915 174.900 -0.066 0.000 0.997 820 G CA 0.204 45.254 45.100 -0.083 0.000 0.708 820 G HN 0.717 nan 8.290 nan 0.000 0.520 821 R N -0.025 120.444 120.500 -0.052 0.000 2.740 821 R HA 0.519 4.773 4.340 -0.143 0.000 0.282 821 R C -2.698 173.588 176.300 -0.024 0.000 0.969 821 R CA -2.253 53.819 56.100 -0.047 0.000 0.918 821 R CB 1.734 32.017 30.300 -0.028 0.000 1.175 821 R HN 0.005 nan 8.270 nan 0.000 0.464 822 P HA 0.007 nan 4.420 nan 0.000 0.266 822 P C -0.961 176.381 177.300 0.070 0.000 1.195 822 P CA -0.014 63.111 63.100 0.042 0.000 0.768 822 P CB 0.626 32.390 31.700 0.107 0.000 0.838 823 V N 3.484 123.450 119.914 0.086 0.000 2.841 823 V HA 0.564 4.598 4.120 -0.143 0.000 0.310 823 V C -0.061 176.089 176.094 0.093 0.000 1.090 823 V CA -0.672 61.674 62.300 0.076 0.000 0.930 823 V CB 2.309 34.169 31.823 0.062 0.000 1.014 823 V HN 0.473 nan 8.190 nan 0.000 0.425 824 R N 2.077 122.626 120.500 0.081 0.000 2.686 824 R HA 0.826 5.081 4.340 -0.143 0.000 0.286 824 R C -1.656 174.688 176.300 0.072 0.000 0.969 824 R CA -0.294 55.854 56.100 0.080 0.000 0.898 824 R CB 1.876 32.217 30.300 0.068 0.000 1.183 824 R HN 0.821 nan 8.270 nan 0.000 0.456 825 C N 5.847 125.189 119.300 0.071 0.000 2.551 825 C HA 0.556 4.930 4.460 -0.143 0.000 0.332 825 C C -0.871 174.154 174.990 0.058 0.000 1.139 825 C CA -0.674 58.385 59.018 0.068 0.000 1.328 825 C CB 1.148 28.933 27.740 0.076 0.000 1.903 825 C HN 1.005 nan 8.230 nan 0.000 0.459 826 M N 6.917 126.551 119.600 0.056 0.000 2.311 826 M HA 0.560 4.954 4.480 -0.143 0.000 0.325 826 M C -1.187 175.145 176.300 0.053 0.000 1.061 826 M CA -0.534 54.794 55.300 0.046 0.000 0.957 826 M CB 1.107 33.740 32.600 0.054 0.000 1.646 826 M HN 0.692 nan 8.290 nan 0.000 0.434 827 L N 4.098 125.348 121.223 0.045 0.000 2.426 827 L HA 0.170 4.424 4.340 -0.143 0.000 0.271 827 L C 0.112 177.026 176.870 0.072 0.000 1.169 827 L CA -0.358 54.520 54.840 0.064 0.000 0.836 827 L CB 0.228 42.325 42.059 0.064 0.000 1.112 827 L HN 0.673 nan 8.230 nan 0.000 0.465 828 D N 1.415 121.868 120.400 0.088 0.000 2.368 828 D HA -0.002 4.552 4.640 -0.143 0.000 0.240 828 D C 0.954 177.324 176.300 0.117 0.000 1.169 828 D CA -0.266 53.800 54.000 0.109 0.000 0.906 828 D CB 0.894 41.763 40.800 0.115 0.000 1.187 828 D HN 0.330 nan 8.370 nan 0.000 0.435 829 R N 1.454 122.033 120.500 0.132 0.000 2.105 829 R HA -0.171 4.084 4.340 -0.143 0.000 0.239 829 R C 1.287 177.656 176.300 0.116 0.000 1.135 829 R CA 1.918 58.070 56.100 0.086 0.000 0.967 829 R CB -0.468 29.893 30.300 0.102 0.000 0.861 829 R HN 0.562 nan 8.270 nan 0.000 0.442 830 D N -0.208 120.311 120.400 0.198 0.000 2.117 830 D HA -0.179 4.375 4.640 -0.143 0.000 0.198 830 D C 1.285 177.669 176.300 0.141 0.000 0.982 830 D CA 1.490 55.603 54.000 0.188 0.000 0.828 830 D CB -0.549 40.421 40.800 0.284 0.000 0.967 830 D HN 0.498 nan 8.370 nan 0.000 0.464 831 E N 0.369 120.652 120.200 0.139 0.000 2.077 831 E HA -0.169 4.096 4.350 -0.143 0.000 0.193 831 E C 1.839 178.503 176.600 0.107 0.000 0.989 831 E CA 1.142 57.615 56.400 0.120 0.000 0.800 831 E CB -0.116 29.654 29.700 0.116 0.000 0.746 831 E HN 0.369 nan 8.360 nan 0.000 0.452 832 D N 0.699 121.158 120.400 0.099 0.000 2.117 832 D HA -0.133 4.421 4.640 -0.143 0.000 0.198 832 D C 2.022 178.376 176.300 0.089 0.000 0.982 832 D CA 0.977 55.040 54.000 0.104 0.000 0.828 832 D CB 0.087 40.957 40.800 0.116 0.000 0.967 832 D HN 0.154 nan 8.370 nan 0.000 0.464 833 M N 0.009 119.639 119.600 0.050 0.000 2.213 833 M HA -0.158 4.236 4.480 -0.143 0.000 0.263 833 M C 2.293 178.617 176.300 0.041 0.000 1.062 833 M CA 0.773 56.080 55.300 0.013 0.000 1.105 833 M CB -0.072 32.516 32.600 -0.021 0.000 1.385 833 M HN 0.081 nan 8.290 nan 0.000 0.417 834 L N 0.458 121.721 121.223 0.066 0.000 2.068 834 L HA -0.032 4.223 4.340 -0.143 0.000 0.204 834 L C 1.993 178.922 176.870 0.099 0.000 1.076 834 L CA 1.717 56.605 54.840 0.079 0.000 0.753 834 L CB -0.282 41.831 42.059 0.090 0.000 0.910 834 L HN 0.166 nan 8.230 nan 0.000 0.439 835 I N -0.611 120.022 120.570 0.105 0.000 2.277 835 I HA -0.182 3.902 4.170 -0.143 0.000 0.243 835 I C 2.028 178.207 176.117 0.103 0.000 1.094 835 I CA 1.551 62.916 61.300 0.109 0.000 1.393 835 I CB -0.593 37.476 38.000 0.115 0.000 1.078 835 I HN 0.431 nan 8.210 nan 0.000 0.417 836 T N -1.592 113.031 114.554 0.114 0.000 3.107 836 T HA 0.426 4.690 4.350 -0.143 0.000 0.249 836 T C 1.076 175.863 174.700 0.145 0.000 1.096 836 T CA 0.228 62.403 62.100 0.125 0.000 1.012 836 T CB -0.201 68.757 68.868 0.150 0.000 0.977 836 T HN 0.551 nan 8.240 nan 0.000 0.527 837 G N -0.069 108.812 108.800 0.134 0.000 2.698 837 G HA2 0.325 4.199 3.960 -0.143 0.000 0.233 837 G HA3 0.325 4.199 3.960 -0.143 0.000 0.233 837 G C -0.011 175.007 174.900 0.197 0.000 1.352 837 G CA -0.512 44.665 45.100 0.129 0.000 0.879 837 G HN 1.462 nan 8.290 nan 0.000 0.567 838 G N -1.747 107.153 108.800 0.167 0.000 2.561 838 G HA2 0.717 4.592 3.960 -0.143 0.000 0.310 838 G HA3 0.717 4.592 3.960 -0.143 0.000 0.310 838 G C -0.303 174.698 174.900 0.169 0.000 1.292 838 G CA 0.236 45.437 45.100 0.168 0.000 0.811 838 G HN 0.917 nan 8.290 nan 0.000 0.482 839 R N -0.367 120.252 120.500 0.199 0.000 2.734 839 R HA 0.243 4.498 4.340 -0.143 0.000 0.266 839 R C -0.565 175.798 176.300 0.105 0.000 1.044 839 R CA -0.219 55.990 56.100 0.182 0.000 1.128 839 R CB 0.026 30.283 30.300 -0.072 0.000 1.010 839 R HN 0.601 nan 8.270 nan 0.000 0.461 840 H N 3.806 122.952 119.070 0.127 0.000 2.690 840 H HA 0.200 4.670 4.556 -0.144 0.000 0.314 840 H C -2.011 173.435 175.328 0.197 0.000 1.069 840 H CA -1.481 54.661 56.048 0.158 0.000 1.436 840 H CB 0.841 30.733 29.762 0.218 0.000 1.462 840 H HN 0.447 nan 8.280 nan 0.000 0.511 841 P HA 0.031 nan 4.420 nan 0.000 0.268 841 P C -0.814 176.606 177.300 0.199 0.000 1.205 841 P CA 0.348 63.497 63.100 0.082 0.000 0.771 841 P CB 0.506 32.238 31.700 0.054 0.000 0.858 842 F N 1.969 121.822 119.950 -0.161 0.000 2.532 842 F HA 0.524 4.966 4.527 -0.142 0.000 0.321 842 F C -0.256 175.531 175.800 -0.022 0.000 1.089 842 F CA -1.009 56.986 58.000 -0.009 0.000 0.926 842 F CB 1.696 40.713 39.000 0.028 0.000 1.168 842 F HN 0.087 nan 8.300 nan 0.000 0.459 843 L N 3.751 125.143 121.223 0.282 0.000 2.356 843 L HA 0.908 5.163 4.340 -0.143 0.000 0.277 843 L C -1.225 175.864 176.870 0.364 0.000 0.996 843 L CA -0.264 54.785 54.840 0.348 0.000 0.822 843 L CB 1.423 43.691 42.059 0.348 0.000 1.256 843 L HN 0.602 nan 8.230 nan 0.000 0.413 844 A N 4.500 127.500 122.820 0.300 0.000 2.414 844 A HA 0.824 5.058 4.320 -0.143 0.000 0.306 844 A C -1.223 176.489 177.584 0.212 0.000 1.054 844 A CA -0.771 51.407 52.037 0.236 0.000 0.724 844 A CB 1.228 20.323 19.000 0.158 0.000 1.267 844 A HN 0.669 nan 8.150 nan 0.000 0.418 845 K N 1.621 122.118 120.400 0.161 0.000 2.358 845 K HA 0.569 4.803 4.320 -0.143 0.000 0.260 845 K C -1.467 175.181 176.600 0.079 0.000 0.956 845 K CA -0.354 55.973 56.287 0.067 0.000 0.834 845 K CB 1.591 34.134 32.500 0.072 0.000 1.102 845 K HN 0.709 nan 8.250 nan 0.000 0.431 846 Y N -0.412 119.939 120.300 0.086 0.000 2.562 846 Y HA 0.666 5.131 4.550 -0.143 0.000 0.343 846 Y C -0.837 175.092 175.900 0.047 0.000 1.025 846 Y CA -1.364 56.778 58.100 0.070 0.000 1.082 846 Y CB 1.671 40.225 38.460 0.157 0.000 1.264 846 Y HN 0.351 nan 8.280 nan 0.000 0.478 847 K N 2.179 122.698 120.400 0.199 0.000 2.565 847 K HA 0.655 4.889 4.320 -0.143 0.000 0.249 847 K C -2.464 174.282 176.600 0.242 0.000 0.958 847 K CA -0.796 55.574 56.287 0.138 0.000 0.806 847 K CB 2.382 34.843 32.500 -0.064 0.000 1.194 847 K HN 0.796 nan 8.250 nan 0.000 0.434 848 V N 3.051 123.121 119.914 0.261 0.000 2.656 848 V HA 0.820 4.854 4.120 -0.143 0.000 0.307 848 V C -0.636 175.712 176.094 0.423 0.000 1.051 848 V CA -0.276 62.117 62.300 0.155 0.000 0.893 848 V CB 1.733 33.405 31.823 -0.252 0.000 0.999 848 V HN 0.848 nan 8.190 nan 0.000 0.426 849 G N 5.697 114.681 108.800 0.306 0.000 2.415 849 G HA2 0.797 4.671 3.960 -0.143 0.000 0.327 849 G HA3 0.797 4.671 3.960 -0.143 0.000 0.327 849 G C -1.259 173.749 174.900 0.180 0.000 1.182 849 G CA -0.530 44.691 45.100 0.202 0.000 0.924 849 G HN 1.123 nan 8.290 nan 0.000 0.470 850 F N 0.148 120.085 119.950 -0.022 0.000 2.741 850 F HA 0.737 5.180 4.527 -0.141 0.000 0.313 850 F C -0.767 175.020 175.800 -0.022 0.000 1.153 850 F CA -1.839 56.135 58.000 -0.044 0.000 0.931 850 F CB 1.260 40.238 39.000 -0.036 0.000 1.335 850 F HN 0.262 nan 8.300 nan 0.000 0.460 851 M N 1.381 121.062 119.600 0.135 0.000 2.368 851 M HA 0.386 4.780 4.480 -0.143 0.000 0.311 851 M C 0.875 177.245 176.300 0.117 0.000 1.168 851 M CA -0.581 54.746 55.300 0.046 0.000 1.044 851 M CB 1.356 33.975 32.600 0.031 0.000 1.506 851 M HN 0.838 nan 8.290 nan 0.000 0.475 852 K N 0.225 120.656 120.400 0.051 0.000 2.281 852 K HA -0.120 4.115 4.320 -0.143 0.000 0.203 852 K C 1.510 178.162 176.600 0.087 0.000 1.046 852 K CA 1.695 58.027 56.287 0.075 0.000 0.938 852 K CB -0.312 32.206 32.500 0.030 0.000 0.737 852 K HN 0.884 nan 8.250 nan 0.000 0.458 853 T N -3.222 111.372 114.554 0.068 0.000 3.118 853 T HA 0.088 4.352 4.350 -0.143 0.000 0.260 853 T C 1.505 176.236 174.700 0.051 0.000 1.139 853 T CA 0.637 62.766 62.100 0.048 0.000 1.085 853 T CB 0.126 69.010 68.868 0.028 0.000 0.934 853 T HN 0.343 nan 8.240 nan 0.000 0.518 854 G N 0.684 109.544 108.800 0.099 0.000 2.175 854 G HA2 -0.246 3.628 3.960 -0.143 0.000 0.244 854 G HA3 -0.246 3.628 3.960 -0.143 0.000 0.244 854 G C 0.233 175.144 174.900 0.017 0.000 0.982 854 G CA 0.078 45.208 45.100 0.050 0.000 0.641 854 G HN 0.682 nan 8.290 nan 0.000 0.527 855 T N 1.501 116.078 114.554 0.038 0.000 2.853 855 T HA 0.427 4.691 4.350 -0.143 0.000 0.298 855 T C 0.662 175.387 174.700 0.042 0.000 0.978 855 T CA 0.105 62.209 62.100 0.006 0.000 1.152 855 T CB 1.912 70.779 68.868 -0.002 0.000 0.914 855 T HN 0.410 nan 8.240 nan 0.000 0.539 856 V N 5.313 125.222 119.914 -0.008 0.000 2.461 856 V HA 0.181 4.215 4.120 -0.143 0.000 0.275 856 V C 1.211 177.268 176.094 -0.061 0.000 1.047 856 V CA -0.122 62.172 62.300 -0.010 0.000 0.955 856 V CB 1.269 33.051 31.823 -0.067 0.000 0.988 856 V HN 0.883 nan 8.190 nan 0.000 0.471 857 V N 1.548 121.413 119.914 -0.081 0.000 3.604 857 V HA 0.793 4.828 4.120 -0.143 0.000 0.277 857 V C 0.459 176.394 176.094 -0.264 0.000 1.399 857 V CA 0.550 62.765 62.300 -0.141 0.000 1.034 857 V CB 0.219 31.975 31.823 -0.112 0.000 0.824 857 V HN 0.914 nan 8.190 nan 0.000 0.439 858 A N 0.640 123.238 122.820 -0.370 0.000 2.566 858 A HA 0.857 5.091 4.320 -0.143 0.000 0.297 858 A C -1.858 175.400 177.584 -0.544 0.000 1.059 858 A CA -0.445 51.204 52.037 -0.646 0.000 0.691 858 A CB 2.302 20.459 19.000 -1.405 0.000 1.282 858 A HN 0.811 nan 8.150 nan 0.000 0.401 859 L N 0.683 121.665 121.223 -0.403 0.000 2.543 859 L HA 0.713 4.967 4.340 -0.143 0.000 0.265 859 L C -0.870 175.982 176.870 -0.031 0.000 0.945 859 L CA 0.075 54.764 54.840 -0.252 0.000 0.869 859 L CB 1.983 43.806 42.059 -0.394 0.000 1.294 859 L HN 0.834 nan 8.230 nan 0.000 0.405 860 E N 4.149 124.424 120.200 0.124 0.000 2.218 860 E HA 0.691 4.955 4.350 -0.143 0.000 0.263 860 E C -1.965 174.698 176.600 0.105 0.000 0.879 860 E CA -0.636 55.848 56.400 0.141 0.000 0.762 860 E CB 1.929 31.765 29.700 0.226 0.000 1.166 860 E HN 0.501 nan 8.360 nan 0.000 0.415 861 V N 2.583 122.550 119.914 0.089 0.000 2.588 861 V HA 0.678 4.712 4.120 -0.143 0.000 0.304 861 V C -0.445 175.631 176.094 -0.030 0.000 1.042 861 V CA -0.802 61.522 62.300 0.039 0.000 0.877 861 V CB 1.596 33.426 31.823 0.011 0.000 0.996 861 V HN 0.771 nan 8.190 nan 0.000 0.425 862 A N 3.364 126.144 122.820 -0.067 0.000 2.273 862 A HA 0.792 5.027 4.320 -0.143 0.000 0.315 862 A C -0.755 176.723 177.584 -0.176 0.000 1.256 862 A CA -0.393 51.585 52.037 -0.098 0.000 0.851 862 A CB 0.106 19.107 19.000 0.001 0.000 1.172 862 A HN 0.973 nan 8.150 nan 0.000 0.508 863 H N 0.653 119.620 119.070 -0.171 0.000 2.463 863 H HA 0.659 5.129 4.556 -0.144 0.000 0.332 863 H C -1.276 173.739 175.328 -0.522 0.000 1.127 863 H CA -0.063 55.928 56.048 -0.095 0.000 1.238 863 H CB 1.255 31.056 29.762 0.065 0.000 1.478 863 H HN 0.569 nan 8.280 nan 0.000 0.499 864 F N 0.866 120.810 119.950 -0.009 0.000 2.540 864 F HA 0.458 4.899 4.527 -0.144 0.000 0.317 864 F C -0.079 175.490 175.800 -0.386 0.000 1.104 864 F CA -0.754 57.172 58.000 -0.124 0.000 0.913 864 F CB 2.035 41.036 39.000 0.001 0.000 1.170 864 F HN 0.545 nan 8.300 nan 0.000 0.450 865 S N 1.441 116.982 115.700 -0.266 0.000 2.600 865 S HA 0.519 4.903 4.470 -0.143 0.000 0.300 865 S C -1.193 173.412 174.600 0.009 0.000 1.087 865 S CA -0.935 57.035 58.200 -0.384 0.000 0.965 865 S CB 1.955 64.769 63.200 -0.644 0.000 1.089 865 S HN 0.546 nan 8.310 nan 0.000 0.496 866 N N 0.651 119.394 118.700 0.071 0.000 2.485 866 N HA 0.353 5.007 4.740 -0.143 0.000 0.243 866 N C 0.812 176.382 175.510 0.099 0.000 0.987 866 N CA -0.217 52.877 53.050 0.074 0.000 0.940 866 N CB 1.203 39.702 38.487 0.020 0.000 1.122 866 N HN 0.909 nan 8.380 nan 0.000 0.509 867 G N 1.404 110.311 108.800 0.178 0.000 2.744 867 G HA2 0.308 4.182 3.960 -0.143 0.000 0.211 867 G HA3 0.308 4.182 3.960 -0.143 0.000 0.211 867 G C 0.783 175.751 174.900 0.113 0.000 1.146 867 G CA 0.471 45.710 45.100 0.231 0.000 0.787 867 G HN 0.933 nan 8.290 nan 0.000 0.534 868 G N 1.105 109.955 108.800 0.083 0.000 2.598 868 G HA2 -0.292 3.582 3.960 -0.143 0.000 0.244 868 G HA3 -0.292 3.582 3.960 -0.143 0.000 0.244 868 G C 0.700 175.678 174.900 0.130 0.000 1.302 868 G CA 0.394 45.516 45.100 0.036 0.000 0.903 868 G HN 0.945 nan 8.290 nan 0.000 0.575 869 N N 0.425 119.159 118.700 0.056 0.000 2.336 869 N HA 0.216 4.871 4.740 -0.143 0.000 0.189 869 N C 0.784 176.356 175.510 0.104 0.000 1.113 869 N CA 1.558 54.636 53.050 0.047 0.000 0.858 869 N CB 0.044 38.487 38.487 -0.073 0.000 0.970 869 N HN 1.508 nan 8.380 nan 0.000 0.471 870 T N -4.397 110.223 114.554 0.110 0.000 2.896 870 T HA 0.297 4.562 4.350 -0.143 0.000 0.297 870 T C 0.569 175.105 174.700 -0.272 0.000 1.108 870 T CA -0.770 61.353 62.100 0.038 0.000 1.004 870 T CB 2.429 71.295 68.868 -0.004 0.000 1.159 870 T HN -0.002 nan 8.240 nan 0.000 0.499 871 E N 0.910 120.813 120.200 -0.495 0.000 2.031 871 E HA -0.101 4.163 4.350 -0.143 0.000 0.193 871 E C 0.817 177.253 176.600 -0.273 0.000 0.994 871 E CA 1.729 57.611 56.400 -0.864 0.000 0.800 871 E CB -0.251 29.099 29.700 -0.584 0.000 0.752 871 E HN 0.922 nan 8.360 nan 0.000 0.447 872 D N -1.190 119.244 120.400 0.057 0.000 3.417 872 D HA -0.298 4.256 4.640 -0.143 0.000 0.163 872 D C 0.421 176.883 176.300 0.271 0.000 1.070 872 D CA 2.392 56.509 54.000 0.194 0.000 1.047 872 D CB -0.928 39.947 40.800 0.125 0.000 0.514 872 D HN 0.197 nan 8.370 nan 0.000 0.532 873 L N 0.291 121.654 121.223 0.233 0.000 2.629 873 L HA 0.232 4.486 4.340 -0.143 0.000 0.230 873 L C 1.969 178.850 176.870 0.019 0.000 1.151 873 L CA 0.107 55.096 54.840 0.249 0.000 0.924 873 L CB 0.006 42.282 42.059 0.361 0.000 1.137 873 L HN 0.177 nan 8.230 nan 0.000 0.457 874 S N 0.128 115.809 115.700 -0.030 0.000 2.383 874 S HA -0.165 4.219 4.470 -0.143 0.000 0.229 874 S C 2.082 176.531 174.600 -0.251 0.000 1.030 874 S CA 1.329 59.417 58.200 -0.186 0.000 1.002 874 S CB -0.116 63.076 63.200 -0.014 0.000 0.829 874 S HN 0.465 nan 8.310 nan 0.000 0.467 875 R N 0.753 121.140 120.500 -0.190 0.000 2.115 875 R HA 0.094 4.348 4.340 -0.143 0.000 0.226 875 R C 2.463 178.687 176.300 -0.127 0.000 1.100 875 R CA 1.200 57.190 56.100 -0.184 0.000 0.980 875 R CB -0.297 29.867 30.300 -0.228 0.000 0.875 875 R HN 0.242 nan 8.270 nan 0.000 0.445 876 S N 0.882 116.570 115.700 -0.019 0.000 2.406 876 S HA -0.015 4.369 4.470 -0.143 0.000 0.228 876 S C 1.902 176.519 174.600 0.027 0.000 1.020 876 S CA 0.770 59.060 58.200 0.150 0.000 0.965 876 S CB -0.034 63.441 63.200 0.458 0.000 0.798 876 S HN 0.194 nan 8.310 nan 0.000 0.488 877 I N 0.933 121.265 120.570 -0.398 0.000 2.179 877 I HA -0.208 3.876 4.170 -0.143 0.000 0.242 877 I C 2.459 178.449 176.117 -0.213 0.000 1.088 877 I CA 1.200 62.106 61.300 -0.656 0.000 1.357 877 I CB -0.231 37.252 38.000 -0.861 0.000 1.051 877 I HN 0.304 nan 8.210 nan 0.000 0.409 878 M N 0.931 120.421 119.600 -0.184 0.000 2.175 878 M HA -0.190 4.204 4.480 -0.143 0.000 0.264 878 M C 1.991 178.217 176.300 -0.124 0.000 1.063 878 M CA 1.827 57.070 55.300 -0.095 0.000 1.119 878 M CB -0.424 32.069 32.600 -0.179 0.000 1.377 878 M HN 0.101 nan 8.290 nan 0.000 0.415 879 E N -0.526 119.598 120.200 -0.128 0.000 2.058 879 E HA -0.273 3.991 4.350 -0.143 0.000 0.194 879 E C 2.198 178.716 176.600 -0.137 0.000 0.997 879 E CA 1.567 57.868 56.400 -0.165 0.000 0.801 879 E CB -0.355 29.342 29.700 -0.004 0.000 0.746 879 E HN 0.552 nan 8.360 nan 0.000 0.450 880 R N 0.604 121.200 120.500 0.161 0.000 2.115 880 R HA -0.085 4.169 4.340 -0.143 0.000 0.230 880 R C 2.227 178.669 176.300 0.238 0.000 1.111 880 R CA 1.112 57.436 56.100 0.373 0.000 0.976 880 R CB -0.131 30.419 30.300 0.417 0.000 0.870 880 R HN 0.138 nan 8.270 nan 0.000 0.445 881 A N 1.079 123.924 122.820 0.042 0.000 1.902 881 A HA -0.129 4.106 4.320 -0.143 0.000 0.217 881 A C 2.137 179.684 177.584 -0.062 0.000 1.181 881 A CA 1.192 53.193 52.037 -0.061 0.000 0.623 881 A CB -0.502 18.417 19.000 -0.135 0.000 0.818 881 A HN 0.350 nan 8.150 nan 0.000 0.443 882 L N -2.006 119.135 121.223 -0.137 0.000 2.093 882 L HA -0.121 4.133 4.340 -0.143 0.000 0.208 882 L C 2.197 179.141 176.870 0.123 0.000 1.085 882 L CA 0.865 55.656 54.840 -0.082 0.000 0.755 882 L CB -0.491 41.485 42.059 -0.138 0.000 0.904 882 L HN 0.334 nan 8.230 nan 0.000 0.435 883 F N -0.678 119.303 119.950 0.053 0.000 2.451 883 F HA -0.143 4.298 4.527 -0.144 0.000 0.299 883 F C 1.650 177.401 175.800 -0.081 0.000 1.101 883 F CA 1.032 58.923 58.000 -0.181 0.000 1.436 883 F CB -0.595 38.132 39.000 -0.455 0.000 1.074 883 F HN 0.172 nan 8.300 nan 0.000 0.553 884 H N -1.481 117.781 119.070 0.320 0.000 2.581 884 H HA 0.179 4.650 4.556 -0.143 0.000 0.275 884 H C 1.799 177.201 175.328 0.124 0.000 1.126 884 H CA 0.015 56.185 56.048 0.203 0.000 1.097 884 H CB -0.193 29.562 29.762 -0.012 0.000 1.626 884 H HN 0.218 nan 8.280 nan 0.000 0.565 885 M N -0.292 119.429 119.600 0.202 0.000 2.557 885 M HA -0.019 4.376 4.480 -0.143 0.000 0.259 885 M C 0.635 177.015 176.300 0.134 0.000 1.086 885 M CA 1.204 56.609 55.300 0.174 0.000 1.096 885 M CB 0.182 32.925 32.600 0.238 0.000 1.424 885 M HN 0.034 nan 8.290 nan 0.000 0.488 886 D N -0.485 119.933 120.400 0.030 0.000 2.323 886 D HA -0.060 4.494 4.640 -0.143 0.000 0.209 886 D C 0.947 177.324 176.300 0.128 0.000 0.973 886 D CA 0.419 54.474 54.000 0.093 0.000 0.874 886 D CB -0.572 40.302 40.800 0.123 0.000 0.930 886 D HN 0.493 nan 8.370 nan 0.000 0.521 887 N N 1.599 120.345 118.700 0.077 0.000 1.167 887 N HA -0.376 4.279 4.740 -0.143 0.000 0.140 887 N C 0.758 176.212 175.510 -0.092 0.000 0.473 887 N CA 3.306 56.333 53.050 -0.039 0.000 0.991 887 N CB -1.284 37.117 38.487 -0.144 0.000 1.437 887 N HN 0.329 nan 8.380 nan 0.000 0.473 888 A N -1.130 121.328 122.820 -0.604 0.000 2.423 888 A HA 0.318 4.552 4.320 -0.143 0.000 0.246 888 A C -0.485 176.717 177.584 -0.636 0.000 1.278 888 A CA -0.065 51.683 52.037 -0.481 0.000 0.903 888 A CB -0.259 18.391 19.000 -0.583 0.000 0.997 888 A HN 0.421 nan 8.150 nan 0.000 0.510 889 Y N -0.476 119.687 120.300 -0.229 0.000 2.393 889 Y HA 0.515 4.978 4.550 -0.145 0.000 0.341 889 Y C 0.239 175.540 175.900 -0.999 0.000 0.988 889 Y CA -1.347 56.459 58.100 -0.490 0.000 1.078 889 Y CB 1.399 39.744 38.460 -0.192 0.000 1.203 889 Y HN 0.013 nan 8.280 nan 0.000 0.453 890 K N 3.771 123.663 120.400 -0.847 0.000 2.276 890 K HA 0.504 4.738 4.320 -0.143 0.000 0.285 890 K C -1.560 174.892 176.600 -0.247 0.000 1.062 890 K CA 0.126 55.989 56.287 -0.706 0.000 0.918 890 K CB 0.015 32.251 32.500 -0.439 0.000 1.055 890 K HN 0.688 nan 8.250 nan 0.000 0.477 891 I N 8.413 128.900 120.570 -0.137 0.000 2.439 891 I HA 0.264 4.348 4.170 -0.143 0.000 0.283 891 I C -1.586 174.495 176.117 -0.059 0.000 1.023 891 I CA -1.977 59.272 61.300 -0.086 0.000 1.100 891 I CB 2.253 40.210 38.000 -0.072 0.000 1.238 891 I HN 0.631 nan 8.210 nan 0.000 0.445 892 P HA -0.018 nan 4.420 nan 0.000 0.220 892 P C -0.248 177.018 177.300 -0.056 0.000 1.152 892 P CA 0.887 63.955 63.100 -0.053 0.000 0.812 892 P CB 0.186 31.848 31.700 -0.062 0.000 0.792 893 N N 0.273 118.912 118.700 -0.103 0.000 2.442 893 N HA 0.570 5.224 4.740 -0.143 0.000 0.274 893 N C -0.889 174.540 175.510 -0.134 0.000 1.002 893 N CA -0.465 52.515 53.050 -0.116 0.000 0.910 893 N CB 2.080 40.461 38.487 -0.177 0.000 1.244 893 N HN 0.010 nan 8.380 nan 0.000 0.492 894 I N 0.954 121.494 120.570 -0.049 0.000 2.722 894 I HA 0.436 4.520 4.170 -0.143 0.000 0.292 894 I C -1.620 174.529 176.117 0.053 0.000 1.267 894 I CA -0.714 60.576 61.300 -0.017 0.000 1.036 894 I CB 1.710 39.717 38.000 0.011 0.000 1.281 894 I HN 0.465 nan 8.210 nan 0.000 0.423 895 R N 5.225 125.765 120.500 0.066 0.000 2.514 895 R HA 0.683 4.937 4.340 -0.143 0.000 0.296 895 R C -1.336 175.039 176.300 0.126 0.000 1.012 895 R CA -0.574 55.588 56.100 0.105 0.000 0.897 895 R CB 1.954 32.312 30.300 0.096 0.000 1.184 895 R HN 0.796 nan 8.270 nan 0.000 0.440 896 G N 1.909 110.808 108.800 0.164 0.000 2.590 896 G HA2 0.452 4.326 3.960 -0.143 0.000 0.310 896 G HA3 0.452 4.326 3.960 -0.143 0.000 0.310 896 G C -0.713 174.285 174.900 0.164 0.000 1.347 896 G CA -0.463 44.762 45.100 0.208 0.000 0.963 896 G HN 0.545 nan 8.290 nan 0.000 0.494 897 T N -0.823 113.817 114.554 0.144 0.000 2.912 897 T HA 0.847 5.111 4.350 -0.143 0.000 0.288 897 T C 0.113 174.823 174.700 0.017 0.000 1.030 897 T CA -0.596 61.521 62.100 0.027 0.000 1.020 897 T CB 2.346 71.176 68.868 -0.064 0.000 1.056 897 T HN 1.114 nan 8.240 nan 0.000 0.480 898 G N 0.578 109.291 108.800 -0.145 0.000 2.667 898 G HA2 0.640 4.515 3.960 -0.143 0.000 0.298 898 G HA3 0.640 4.515 3.960 -0.143 0.000 0.298 898 G C -1.600 173.083 174.900 -0.363 0.000 1.377 898 G CA -1.033 43.918 45.100 -0.248 0.000 0.964 898 G HN 0.751 nan 8.290 nan 0.000 0.493 899 R N 0.324 120.543 120.500 -0.469 0.000 2.628 899 R HA 0.671 4.925 4.340 -0.143 0.000 0.288 899 R C -1.223 174.997 176.300 -0.132 0.000 0.980 899 R CA -0.795 55.074 56.100 -0.385 0.000 0.891 899 R CB 1.445 31.371 30.300 -0.624 0.000 1.188 899 R HN 0.376 nan 8.270 nan 0.000 0.450 900 I N 3.298 123.878 120.570 0.016 0.000 2.312 900 I HA 0.315 4.399 4.170 -0.143 0.000 0.290 900 I C -0.289 176.048 176.117 0.366 0.000 1.008 900 I CA -0.398 60.995 61.300 0.155 0.000 1.226 900 I CB 1.300 39.392 38.000 0.154 0.000 1.371 900 I HN 0.500 nan 8.210 nan 0.000 0.468 901 C N 5.582 125.076 119.300 0.322 0.000 2.585 901 C HA 0.208 4.582 4.460 -0.143 0.000 0.406 901 C C 0.854 175.859 174.990 0.025 0.000 1.312 901 C CA -0.660 58.467 59.018 0.181 0.000 1.924 901 C CB -0.424 27.383 27.740 0.112 0.000 2.578 901 C HN 0.693 nan 8.230 nan 0.000 0.580 902 K N 3.152 123.377 120.400 -0.292 0.000 2.262 902 K HA 0.451 4.685 4.320 -0.143 0.000 0.282 902 K C 0.121 176.555 176.600 -0.276 0.000 1.066 902 K CA 0.106 56.101 56.287 -0.487 0.000 0.901 902 K CB 0.479 32.368 32.500 -1.018 0.000 1.089 902 K HN 0.925 nan 8.250 nan 0.000 0.476 903 T N 0.336 114.805 114.554 -0.143 0.000 2.865 903 T HA 0.293 4.557 4.350 -0.143 0.000 0.294 903 T C -0.190 174.434 174.700 -0.127 0.000 1.119 903 T CA -1.079 60.935 62.100 -0.142 0.000 1.007 903 T CB 1.019 69.817 68.868 -0.116 0.000 1.225 903 T HN 0.535 nan 8.240 nan 0.000 0.515 904 N N 0.646 119.261 118.700 -0.140 0.000 3.259 904 N HA 0.473 5.127 4.740 -0.143 0.000 0.308 904 N C -0.827 174.634 175.510 -0.082 0.000 1.334 904 N CA -0.178 52.799 53.050 -0.121 0.000 1.202 904 N CB -0.281 38.132 38.487 -0.123 0.000 1.485 904 N HN 0.376 nan 8.380 nan 0.000 0.549 905 L N -0.187 120.988 121.223 -0.080 0.000 2.327 905 L HA 0.618 4.872 4.340 -0.143 0.000 0.258 905 L C -2.323 174.528 176.870 -0.032 0.000 1.024 905 L CA -2.589 52.208 54.840 -0.072 0.000 0.825 905 L CB 2.235 44.202 42.059 -0.154 0.000 1.386 905 L HN -0.023 nan 8.230 nan 0.000 0.417 906 P HA -0.039 nan 4.420 nan 0.000 0.267 906 P C -0.659 176.642 177.300 0.002 0.000 1.200 906 P CA 0.067 63.181 63.100 0.024 0.000 0.772 906 P CB 0.595 32.340 31.700 0.076 0.000 0.855 907 S N 2.845 118.548 115.700 0.004 0.000 2.498 907 S HA 0.099 4.483 4.470 -0.143 0.000 0.281 907 S C 0.285 174.878 174.600 -0.012 0.000 1.265 907 S CA -0.382 57.818 58.200 0.001 0.000 1.071 907 S CB -0.813 62.394 63.200 0.012 0.000 0.894 907 S HN 0.238 nan 8.310 nan 0.000 0.491 908 N N 2.822 121.455 118.700 -0.112 0.000 2.483 908 N HA 0.415 5.069 4.740 -0.143 0.000 0.269 908 N C 0.207 175.697 175.510 -0.034 0.000 1.209 908 N CA -0.143 52.768 53.050 -0.232 0.000 0.969 908 N CB 1.560 39.579 38.487 -0.779 0.000 1.173 908 N HN 0.678 nan 8.380 nan 0.000 0.475 909 T N -1.353 113.297 114.554 0.159 0.000 2.598 909 T HA 0.624 4.888 4.350 -0.143 0.000 0.289 909 T C -1.252 173.703 174.700 0.424 0.000 1.056 909 T CA -0.526 61.768 62.100 0.323 0.000 1.088 909 T CB 0.424 69.447 68.868 0.259 0.000 1.519 909 T HN 0.474 nan 8.240 nan 0.000 0.488 910 A N 1.151 124.241 122.820 0.449 0.000 2.477 910 A HA 0.582 4.816 4.320 -0.143 0.000 0.246 910 A C -0.762 177.224 177.584 0.670 0.000 1.078 910 A CA 0.044 52.442 52.037 0.601 0.000 0.770 910 A CB -0.703 18.704 19.000 0.679 0.000 1.011 910 A HN 0.696 nan 8.150 nan 0.000 0.494 911 F N 2.483 122.710 119.950 0.461 0.000 2.573 911 F HA 0.442 4.884 4.527 -0.142 0.000 0.316 911 F C 0.553 176.538 175.800 0.309 0.000 1.148 911 F CA -1.110 57.127 58.000 0.396 0.000 0.940 911 F CB 1.178 40.247 39.000 0.114 0.000 1.214 911 F HN 0.796 nan 8.300 nan 0.000 0.448 912 R N 4.238 125.194 120.500 0.760 0.000 3.841 912 R HA -0.073 4.181 4.340 -0.143 0.000 0.164 912 R C 0.932 177.440 176.300 0.346 0.000 0.560 912 R CA 1.989 58.383 56.100 0.490 0.000 0.881 912 R CB -0.628 29.974 30.300 0.503 0.000 1.050 912 R HN 1.200 nan 8.270 nan 0.000 0.289 913 G N 3.672 112.648 108.800 0.295 0.000 2.424 913 G HA2 -0.322 3.553 3.960 -0.143 0.000 0.207 913 G HA3 -0.322 3.553 3.960 -0.143 0.000 0.207 913 G C 0.300 175.482 174.900 0.470 0.000 1.061 913 G CA 0.025 45.326 45.100 0.334 0.000 0.657 913 G HN 0.905 nan 8.290 nan 0.000 0.508 914 F N 0.735 120.808 119.950 0.204 0.000 3.040 914 F HA 0.087 4.528 4.527 -0.144 0.000 0.298 914 F C 1.753 177.610 175.800 0.094 0.000 0.948 914 F CA 2.527 60.636 58.000 0.181 0.000 1.022 914 F CB -1.043 38.066 39.000 0.183 0.000 1.023 914 F HN 2.146 nan 8.300 nan 0.000 0.742 915 G N -0.659 108.146 108.800 0.010 0.000 2.258 915 G HA2 -0.248 3.627 3.960 -0.143 0.000 0.233 915 G HA3 -0.248 3.627 3.960 -0.143 0.000 0.233 915 G C 1.563 176.366 174.900 -0.161 0.000 1.006 915 G CA 0.716 45.733 45.100 -0.140 0.000 0.620 915 G HN 1.554 nan 8.290 nan 0.000 0.511 916 G N 1.534 110.301 108.800 -0.055 0.000 2.421 916 G HA2 0.073 3.947 3.960 -0.143 0.000 0.216 916 G HA3 0.073 3.947 3.960 -0.143 0.000 0.216 916 G C 0.080 174.891 174.900 -0.147 0.000 1.171 916 G CA 2.012 47.003 45.100 -0.182 0.000 0.775 916 G HN 0.541 nan 8.290 nan 0.000 0.543 917 P HA -0.015 nan 4.420 nan 0.000 0.217 917 P C 1.784 179.087 177.300 0.004 0.000 1.151 917 P CA 1.095 64.259 63.100 0.107 0.000 0.828 917 P CB 0.069 31.871 31.700 0.170 0.000 0.788 918 Q N -0.842 118.821 119.800 -0.228 0.000 2.046 918 Q HA -0.048 4.206 4.340 -0.143 0.000 0.200 918 Q C 2.413 178.214 176.000 -0.333 0.000 0.975 918 Q CA 1.931 57.480 55.803 -0.423 0.000 0.836 918 Q CB -1.544 26.479 28.738 -1.192 0.000 0.896 918 Q HN 0.200 nan 8.270 nan 0.000 0.428 919 G N 0.195 108.797 108.800 -0.330 0.000 2.440 919 G HA2 -0.257 3.618 3.960 -0.143 0.000 0.218 919 G HA3 -0.257 3.618 3.960 -0.143 0.000 0.218 919 G C 1.365 176.209 174.900 -0.093 0.000 1.154 919 G CA 0.976 46.018 45.100 -0.097 0.000 0.767 919 G HN 0.225 nan 8.290 nan 0.000 0.552 920 M N -0.655 118.759 119.600 -0.310 0.000 2.388 920 M HA 0.198 4.592 4.480 -0.143 0.000 0.265 920 M C 2.331 178.405 176.300 -0.376 0.000 1.088 920 M CA 0.378 55.337 55.300 -0.567 0.000 1.134 920 M CB -0.043 31.739 32.600 -1.364 0.000 1.384 920 M HN 0.235 nan 8.290 nan 0.000 0.447 921 L N 0.850 122.012 121.223 -0.102 0.000 2.093 921 L HA -0.113 4.141 4.340 -0.143 0.000 0.208 921 L C 2.039 178.952 176.870 0.071 0.000 1.085 921 L CA 1.748 56.684 54.840 0.160 0.000 0.755 921 L CB -0.333 41.710 42.059 -0.028 0.000 0.904 921 L HN 0.184 nan 8.230 nan 0.000 0.435 922 I N -0.582 119.992 120.570 0.008 0.000 2.208 922 I HA -0.323 3.761 4.170 -0.143 0.000 0.245 922 I C 2.593 178.586 176.117 -0.207 0.000 1.097 922 I CA 1.278 62.596 61.300 0.032 0.000 1.363 922 I CB -0.655 37.435 38.000 0.150 0.000 1.051 922 I HN 0.344 nan 8.210 nan 0.000 0.413 923 A N 0.351 122.995 122.820 -0.293 0.000 1.858 923 A HA -0.205 4.029 4.320 -0.143 0.000 0.216 923 A C 2.240 179.117 177.584 -1.179 0.000 1.190 923 A CA 1.607 53.149 52.037 -0.825 0.000 0.617 923 A CB -0.496 18.347 19.000 -0.261 0.000 0.827 923 A HN 0.350 nan 8.150 nan 0.000 0.443 924 E N -1.378 118.530 120.200 -0.487 0.000 2.204 924 E HA -0.177 4.087 4.350 -0.143 0.000 0.195 924 E C 1.722 177.916 176.600 -0.678 0.000 0.990 924 E CA 1.111 57.178 56.400 -0.555 0.000 0.821 924 E CB -0.422 29.109 29.700 -0.283 0.000 0.750 924 E HN 0.810 nan 8.360 nan 0.000 0.477 925 Y N 1.439 121.550 120.300 -0.316 0.000 2.133 925 Y HA -0.226 4.238 4.550 -0.144 0.000 0.287 925 Y C 2.408 178.133 175.900 -0.292 0.000 1.134 925 Y CA 2.104 60.176 58.100 -0.047 0.000 1.133 925 Y CB -0.440 38.073 38.460 0.089 0.000 0.987 925 Y HN 0.202 nan 8.280 nan 0.000 0.502 926 W N -1.161 119.955 121.300 -0.307 0.000 2.402 926 W HA -0.168 4.409 4.660 -0.139 0.000 0.286 926 W C 1.780 178.064 176.519 -0.391 0.000 1.221 926 W CA 0.962 58.021 57.345 -0.477 0.000 1.257 926 W CB -1.091 27.955 29.460 -0.689 0.000 1.120 926 W HN 0.221 nan 8.180 nan 0.000 0.551 927 M N 3.425 122.636 119.600 -0.649 0.000 2.108 927 M HA -0.212 4.183 4.480 -0.143 0.000 0.261 927 M C 2.603 178.627 176.300 -0.460 0.000 1.066 927 M CA 2.747 57.697 55.300 -0.583 0.000 1.107 927 M CB -0.941 31.107 32.600 -0.920 0.000 1.356 927 M HN 0.115 nan 8.290 nan 0.000 0.406 928 S N -0.689 114.693 115.700 -0.529 0.000 2.383 928 S HA -0.189 4.196 4.470 -0.143 0.000 0.229 928 S C 1.800 176.217 174.600 -0.305 0.000 1.030 928 S CA 1.646 59.592 58.200 -0.423 0.000 1.002 928 S CB -0.853 62.087 63.200 -0.433 0.000 0.829 928 S HN 0.705 nan 8.310 nan 0.000 0.467 929 E N 0.656 120.683 120.200 -0.289 0.000 2.112 929 E HA -0.003 4.261 4.350 -0.143 0.000 0.190 929 E C 2.197 178.668 176.600 -0.215 0.000 0.979 929 E CA 0.911 57.205 56.400 -0.178 0.000 0.814 929 E CB -0.312 29.357 29.700 -0.053 0.000 0.762 929 E HN 0.398 nan 8.360 nan 0.000 0.460 930 V N 1.794 121.481 119.914 -0.378 0.000 2.252 930 V HA -0.331 3.703 4.120 -0.143 0.000 0.249 930 V C 2.409 178.249 176.094 -0.423 0.000 1.056 930 V CA 2.148 63.973 62.300 -0.791 0.000 1.022 930 V CB -0.748 30.606 31.823 -0.781 0.000 0.641 930 V HN 0.321 nan 8.190 nan 0.000 0.445 931 A N -0.486 122.169 122.820 -0.276 0.000 1.902 931 A HA -0.165 4.069 4.320 -0.143 0.000 0.217 931 A C 2.169 179.708 177.584 -0.075 0.000 1.181 931 A CA 1.961 53.907 52.037 -0.152 0.000 0.623 931 A CB -0.552 18.368 19.000 -0.133 0.000 0.818 931 A HN 0.515 nan 8.150 nan 0.000 0.443 932 I N -0.473 120.051 120.570 -0.077 0.000 2.315 932 I HA -0.202 3.882 4.170 -0.143 0.000 0.248 932 I C 2.496 178.630 176.117 0.029 0.000 1.117 932 I CA 1.665 62.954 61.300 -0.018 0.000 1.404 932 I CB -0.388 37.595 38.000 -0.028 0.000 1.071 932 I HN 0.248 nan 8.210 nan 0.000 0.419 933 T N -0.419 114.164 114.554 0.049 0.000 2.821 933 T HA -0.165 4.100 4.350 -0.143 0.000 0.267 933 T C 1.838 176.645 174.700 0.180 0.000 1.046 933 T CA 1.269 63.467 62.100 0.163 0.000 1.139 933 T CB -0.345 68.740 68.868 0.362 0.000 0.871 933 T HN 0.419 nan 8.240 nan 0.000 0.454 934 C N 0.851 120.246 119.300 0.157 0.000 2.500 934 C HA 0.399 4.773 4.460 -0.143 0.000 0.273 934 C C 2.165 177.202 174.990 0.078 0.000 1.428 934 C CA -0.245 58.858 59.018 0.141 0.000 1.766 934 C CB -1.402 26.413 27.740 0.124 0.000 1.817 934 C HN 0.805 nan 8.230 nan 0.000 0.543 935 G N 0.813 109.647 108.800 0.057 0.000 2.221 935 G HA2 -0.246 3.628 3.960 -0.143 0.000 0.265 935 G HA3 -0.246 3.628 3.960 -0.143 0.000 0.265 935 G C -0.190 174.731 174.900 0.034 0.000 1.041 935 G CA 0.165 45.290 45.100 0.042 0.000 0.807 935 G HN 0.547 nan 8.290 nan 0.000 0.502 936 L N -0.762 120.477 121.223 0.027 0.000 2.333 936 L HA 0.516 4.770 4.340 -0.143 0.000 0.269 936 L C -2.067 174.818 176.870 0.025 0.000 1.010 936 L CA -2.567 52.289 54.840 0.026 0.000 0.818 936 L CB 1.997 44.069 42.059 0.021 0.000 1.306 936 L HN -0.175 nan 8.230 nan 0.000 0.430 937 P HA 0.028 nan 4.420 nan 0.000 0.264 937 P C 0.081 177.419 177.300 0.062 0.000 1.193 937 P CA 0.094 63.236 63.100 0.071 0.000 0.763 937 P CB 1.052 32.812 31.700 0.100 0.000 0.810 938 A N 4.661 127.519 122.820 0.064 0.000 1.972 938 A HA -0.197 4.038 4.320 -0.143 0.000 0.219 938 A C 1.873 179.494 177.584 0.061 0.000 1.169 938 A CA 1.497 53.544 52.037 0.017 0.000 0.635 938 A CB -0.779 18.220 19.000 -0.002 0.000 0.810 938 A HN 0.653 nan 8.150 nan 0.000 0.446 939 E N 0.645 120.931 120.200 0.143 0.000 2.208 939 E HA -0.200 4.065 4.350 -0.143 0.000 0.193 939 E C 1.407 178.150 176.600 0.239 0.000 0.988 939 E CA 1.407 57.954 56.400 0.244 0.000 0.828 939 E CB -0.521 29.226 29.700 0.079 0.000 0.763 939 E HN 0.759 nan 8.360 nan 0.000 0.478 940 E N 0.799 121.081 120.200 0.137 0.000 2.107 940 E HA -0.067 4.197 4.350 -0.143 0.000 0.191 940 E C 2.327 178.930 176.600 0.004 0.000 0.982 940 E CA 1.152 57.602 56.400 0.084 0.000 0.809 940 E CB 0.119 29.861 29.700 0.069 0.000 0.756 940 E HN 0.101 nan 8.360 nan 0.000 0.459 941 V N 1.395 121.293 119.914 -0.027 0.000 2.358 941 V HA -0.244 3.790 4.120 -0.143 0.000 0.246 941 V C 2.245 178.233 176.094 -0.176 0.000 1.047 941 V CA 1.703 63.943 62.300 -0.100 0.000 1.035 941 V CB -0.478 31.269 31.823 -0.127 0.000 0.658 941 V HN 0.185 nan 8.190 nan 0.000 0.452 942 R N -0.113 120.288 120.500 -0.165 0.000 2.073 942 R HA -0.175 4.079 4.340 -0.143 0.000 0.234 942 R C 2.520 178.681 176.300 -0.232 0.000 1.134 942 R CA 1.643 57.611 56.100 -0.219 0.000 0.952 942 R CB -0.429 29.838 30.300 -0.055 0.000 0.850 942 R HN 0.285 nan 8.270 nan 0.000 0.433 943 R N 2.211 122.524 120.500 -0.313 0.000 2.091 943 R HA -0.165 4.089 4.340 -0.143 0.000 0.238 943 R C 1.915 178.090 176.300 -0.209 0.000 1.136 943 R CA 2.026 57.876 56.100 -0.417 0.000 0.959 943 R CB -0.169 29.967 30.300 -0.275 0.000 0.856 943 R HN 0.291 nan 8.270 nan 0.000 0.437 944 K N -1.366 118.958 120.400 -0.126 0.000 2.418 944 K HA 0.062 4.297 4.320 -0.143 0.000 0.195 944 K C 0.861 177.410 176.600 -0.085 0.000 1.035 944 K CA 1.033 57.269 56.287 -0.084 0.000 1.003 944 K CB 0.141 32.609 32.500 -0.053 0.000 0.793 944 K HN 0.083 nan 8.250 nan 0.000 0.494 945 N N 0.672 119.312 118.700 -0.100 0.000 2.299 945 N HA 0.059 4.713 4.740 -0.143 0.000 0.187 945 N C 0.104 175.626 175.510 0.020 0.000 1.099 945 N CA -0.003 53.002 53.050 -0.075 0.000 0.867 945 N CB 0.252 38.631 38.487 -0.181 0.000 0.974 945 N HN 0.284 nan 8.380 nan 0.000 0.477 946 M N 1.106 120.719 119.600 0.023 0.000 2.250 946 M HA -0.039 4.355 4.480 -0.143 0.000 0.337 946 M C -0.253 176.013 176.300 -0.056 0.000 1.161 946 M CA -0.011 55.287 55.300 -0.004 0.000 1.088 946 M CB 0.445 32.989 32.600 -0.093 0.000 1.639 946 M HN 0.033 nan 8.290 nan 0.000 0.447 947 Y N 3.930 124.197 120.300 -0.056 0.000 2.641 947 Y HA -0.078 4.386 4.550 -0.143 0.000 0.351 947 Y C 0.548 176.289 175.900 -0.264 0.000 1.269 947 Y CA 0.496 58.443 58.100 -0.255 0.000 1.485 947 Y CB 0.375 38.487 38.460 -0.580 0.000 1.364 947 Y HN 0.472 nan 8.280 nan 0.000 0.651 948 K N 0.346 120.644 120.400 -0.170 0.000 2.350 948 K HA 0.451 4.685 4.320 -0.143 0.000 0.241 948 K C -1.103 175.255 176.600 -0.402 0.000 0.994 948 K CA -1.244 54.944 56.287 -0.165 0.000 0.839 948 K CB 1.441 33.913 32.500 -0.048 0.000 1.244 948 K HN 0.478 nan 8.250 nan 0.000 0.443 949 E N 0.064 120.168 120.200 -0.159 0.000 2.608 949 E HA 0.070 4.334 4.350 -0.143 0.000 0.259 949 E C 0.821 177.321 176.600 -0.167 0.000 0.951 949 E CA 2.095 58.417 56.400 -0.131 0.000 0.945 949 E CB -0.197 29.529 29.700 0.043 0.000 0.916 949 E HN 0.804 nan 8.360 nan 0.000 0.477 950 G N 3.644 112.331 108.800 -0.189 0.000 2.225 950 G HA2 -0.269 3.605 3.960 -0.143 0.000 0.254 950 G HA3 -0.269 3.605 3.960 -0.143 0.000 0.254 950 G C -0.051 174.744 174.900 -0.175 0.000 0.988 950 G CA 0.110 45.126 45.100 -0.141 0.000 0.625 950 G HN 0.660 nan 8.290 nan 0.000 0.527 951 D N 0.590 120.842 120.400 -0.246 0.000 2.400 951 D HA 0.454 5.009 4.640 -0.143 0.000 0.238 951 D C 1.191 177.318 176.300 -0.289 0.000 1.157 951 D CA 0.116 53.991 54.000 -0.207 0.000 0.889 951 D CB 0.571 41.290 40.800 -0.134 0.000 1.199 951 D HN 0.369 nan 8.370 nan 0.000 0.436 952 L N 1.191 122.293 121.223 -0.202 0.000 2.334 952 L HA 0.288 4.542 4.340 -0.143 0.000 0.277 952 L C 1.337 178.037 176.870 -0.284 0.000 1.075 952 L CA -0.767 53.920 54.840 -0.255 0.000 0.804 952 L CB 1.134 43.101 42.059 -0.153 0.000 1.174 952 L HN 0.425 nan 8.230 nan 0.000 0.438 953 T N -2.823 111.410 114.554 -0.536 0.000 2.698 953 T HA 0.029 4.293 4.350 -0.143 0.000 0.295 953 T C 1.434 175.987 174.700 -0.246 0.000 1.007 953 T CA -0.222 61.594 62.100 -0.475 0.000 0.980 953 T CB 0.425 68.588 68.868 -1.175 0.000 1.036 953 T HN 0.740 nan 8.240 nan 0.000 0.526 954 H N 0.284 119.285 119.070 -0.114 0.000 2.456 954 H HA -0.060 4.410 4.556 -0.143 0.000 0.296 954 H C 1.257 176.644 175.328 0.098 0.000 1.079 954 H CA 1.307 57.384 56.048 0.048 0.000 1.322 954 H CB -0.902 28.959 29.762 0.165 0.000 1.388 954 H HN 0.777 nan 8.280 nan 0.000 0.538 955 F N 0.185 119.917 119.950 -0.362 0.000 2.660 955 F HA 0.414 4.854 4.527 -0.144 0.000 0.297 955 F C 0.042 175.818 175.800 -0.039 0.000 1.132 955 F CA -0.877 57.014 58.000 -0.182 0.000 1.372 955 F CB -0.159 38.600 39.000 -0.403 0.000 1.003 955 F HN -0.145 nan 8.300 nan 0.000 0.524 956 N N 1.184 119.744 118.700 -0.234 0.000 2.776 956 N HA -0.260 4.394 4.740 -0.143 0.000 0.250 956 N C -0.155 175.261 175.510 -0.155 0.000 1.112 956 N CA 1.083 54.052 53.050 -0.135 0.000 0.733 956 N CB -1.166 37.326 38.487 0.008 0.000 1.097 956 N HN 0.792 nan 8.380 nan 0.000 0.558 957 Q N 0.926 120.515 119.800 -0.352 0.000 2.257 957 Q HA 0.307 4.562 4.340 -0.143 0.000 0.255 957 Q C -0.060 175.813 176.000 -0.211 0.000 0.920 957 Q CA -0.568 55.139 55.803 -0.160 0.000 0.927 957 Q CB 1.080 29.845 28.738 0.045 0.000 1.229 957 Q HN 0.146 nan 8.270 nan 0.000 0.433 958 K N 4.055 124.396 120.400 -0.097 0.000 2.350 958 K HA 0.175 4.409 4.320 -0.143 0.000 0.279 958 K C -0.870 175.660 176.600 -0.118 0.000 1.027 958 K CA -0.248 55.961 56.287 -0.130 0.000 0.969 958 K CB 0.463 32.926 32.500 -0.062 0.000 0.954 958 K HN 0.663 nan 8.250 nan 0.000 0.474 959 L N 5.632 126.694 121.223 -0.267 0.000 2.302 959 L HA 0.197 4.451 4.340 -0.143 0.000 0.285 959 L C -0.016 176.811 176.870 -0.072 0.000 1.090 959 L CA -0.140 54.549 54.840 -0.252 0.000 0.866 959 L CB 0.378 42.037 42.059 -0.667 0.000 1.244 959 L HN 0.619 nan 8.230 nan 0.000 0.435 960 E N 1.816 122.068 120.200 0.086 0.000 2.222 960 E HA 0.429 4.694 4.350 -0.143 0.000 0.272 960 E C 0.639 177.352 176.600 0.188 0.000 0.982 960 E CA -0.649 55.812 56.400 0.102 0.000 0.842 960 E CB 1.705 31.455 29.700 0.083 0.000 1.144 960 E HN 0.646 nan 8.360 nan 0.000 0.397 961 G N 2.053 110.940 108.800 0.145 0.000 2.338 961 G HA2 -0.304 3.571 3.960 -0.143 0.000 0.296 961 G HA3 -0.304 3.571 3.960 -0.143 0.000 0.296 961 G C -0.441 174.587 174.900 0.213 0.000 1.040 961 G CA 0.171 45.362 45.100 0.152 0.000 1.004 961 G HN 0.417 nan 8.290 nan 0.000 0.509 962 F N 2.294 122.208 119.950 -0.060 0.000 2.423 962 F HA 0.490 4.932 4.527 -0.142 0.000 0.356 962 F C 1.611 177.200 175.800 -0.353 0.000 1.170 962 F CA -0.095 57.733 58.000 -0.286 0.000 1.163 962 F CB 0.609 39.446 39.000 -0.272 0.000 1.318 962 F HN 0.171 nan 8.300 nan 0.000 0.569 963 T N 2.693 116.813 114.554 -0.723 0.000 3.086 963 T HA -0.020 4.245 4.350 -0.143 0.000 0.250 963 T C 1.817 176.128 174.700 -0.649 0.000 1.074 963 T CA 0.139 61.966 62.100 -0.456 0.000 0.988 963 T CB -0.183 68.609 68.868 -0.127 0.000 0.988 963 T HN 0.517 nan 8.240 nan 0.000 0.530 964 L N 2.455 122.870 121.223 -1.346 0.000 2.043 964 L HA 0.106 4.360 4.340 -0.143 0.000 0.212 964 L C -0.898 175.713 176.870 -0.432 0.000 1.075 964 L CA 1.805 56.110 54.840 -0.892 0.000 0.752 964 L CB -1.170 40.190 42.059 -1.165 0.000 0.891 964 L HN 0.133 nan 8.230 nan 0.000 0.432 965 P HA -0.136 nan 4.420 nan 0.000 0.217 965 P C 1.476 178.767 177.300 -0.016 0.000 1.150 965 P CA 1.512 64.533 63.100 -0.131 0.000 0.832 965 P CB -0.038 31.610 31.700 -0.087 0.000 0.787 966 R N -1.102 119.352 120.500 -0.077 0.000 2.073 966 R HA -0.105 4.149 4.340 -0.143 0.000 0.234 966 R C 2.272 178.579 176.300 0.012 0.000 1.134 966 R CA 1.622 57.709 56.100 -0.021 0.000 0.952 966 R CB -1.359 28.918 30.300 -0.039 0.000 0.850 966 R HN 0.243 nan 8.270 nan 0.000 0.433 967 C N -0.282 119.016 119.300 -0.002 0.000 2.413 967 C HA -0.141 4.234 4.460 -0.143 0.000 0.276 967 C C 2.392 177.434 174.990 0.088 0.000 1.248 967 C CA 0.072 59.114 59.018 0.039 0.000 1.742 967 C CB -1.071 26.705 27.740 0.059 0.000 2.017 967 C HN 0.668 nan 8.230 nan 0.000 0.481 968 W N 2.120 123.373 121.300 -0.077 0.000 2.354 968 W HA -0.113 4.466 4.660 -0.135 0.000 0.315 968 W C 1.807 178.294 176.519 -0.052 0.000 1.206 968 W CA 1.763 59.070 57.345 -0.063 0.000 1.290 968 W CB -0.603 28.815 29.460 -0.070 0.000 1.152 968 W HN 0.360 nan 8.180 nan 0.000 0.489 969 D N 0.278 120.792 120.400 0.189 0.000 2.144 969 D HA -0.187 4.367 4.640 -0.143 0.000 0.199 969 D C 1.944 178.232 176.300 -0.020 0.000 0.984 969 D CA 1.660 55.703 54.000 0.072 0.000 0.834 969 D CB -0.500 40.360 40.800 0.101 0.000 0.955 969 D HN 0.412 nan 8.370 nan 0.000 0.465 970 E N -0.080 120.113 120.200 -0.012 0.000 2.072 970 E HA -0.137 4.127 4.350 -0.143 0.000 0.191 970 E C 2.195 178.759 176.600 -0.059 0.000 0.985 970 E CA 0.609 56.993 56.400 -0.027 0.000 0.801 970 E CB -0.148 29.545 29.700 -0.012 0.000 0.750 970 E HN 0.224 nan 8.360 nan 0.000 0.452 971 C N 0.693 119.935 119.300 -0.096 0.000 2.446 971 C HA -0.062 4.312 4.460 -0.143 0.000 0.277 971 C C 2.601 177.478 174.990 -0.188 0.000 1.275 971 C CA 0.314 59.251 59.018 -0.135 0.000 1.727 971 C CB -0.783 26.856 27.740 -0.170 0.000 2.010 971 C HN 0.427 nan 8.230 nan 0.000 0.486 972 I N 0.553 120.942 120.570 -0.302 0.000 2.394 972 I HA -0.076 4.008 4.170 -0.143 0.000 0.251 972 I C 2.495 178.552 176.117 -0.099 0.000 1.136 972 I CA 1.470 62.587 61.300 -0.303 0.000 1.425 972 I CB -0.123 37.535 38.000 -0.569 0.000 1.079 972 I HN 0.396 nan 8.210 nan 0.000 0.425 973 A N -0.105 122.670 122.820 -0.076 0.000 1.874 973 A HA -0.171 4.063 4.320 -0.143 0.000 0.214 973 A C 2.432 180.005 177.584 -0.018 0.000 1.189 973 A CA 1.614 53.635 52.037 -0.026 0.000 0.615 973 A CB -0.894 18.096 19.000 -0.017 0.000 0.830 973 A HN 0.526 nan 8.150 nan 0.000 0.443 974 S N 0.319 116.002 115.700 -0.029 0.000 2.428 974 S HA -0.108 4.276 4.470 -0.143 0.000 0.230 974 S C 1.913 176.507 174.600 -0.010 0.000 1.014 974 S CA 1.474 59.663 58.200 -0.018 0.000 0.957 974 S CB -0.685 62.503 63.200 -0.021 0.000 0.784 974 S HN 0.861 nan 8.310 nan 0.000 0.499 975 S N 0.695 116.388 115.700 -0.011 0.000 2.562 975 S HA 0.089 4.473 4.470 -0.143 0.000 0.221 975 S C 0.631 175.247 174.600 0.026 0.000 0.975 975 S CA 0.209 58.415 58.200 0.010 0.000 0.918 975 S CB -0.870 62.338 63.200 0.013 0.000 0.772 975 S HN 0.592 nan 8.310 nan 0.000 0.531 976 Q N -0.445 119.369 119.800 0.023 0.000 2.435 976 Q HA -0.285 3.969 4.340 -0.143 0.000 0.312 976 Q C 0.258 176.278 176.000 0.033 0.000 1.333 976 Q CA 0.726 56.543 55.803 0.023 0.000 0.883 976 Q CB -2.257 26.484 28.738 0.005 0.000 1.170 976 Q HN 0.855 nan 8.270 nan 0.000 0.443 977 Y N 0.146 120.406 120.300 -0.067 0.000 2.165 977 Y HA -0.246 4.219 4.550 -0.142 0.000 0.286 977 Y C 1.610 177.484 175.900 -0.044 0.000 1.155 977 Y CA 2.353 60.411 58.100 -0.071 0.000 1.164 977 Y CB -0.090 38.295 38.460 -0.124 0.000 0.978 977 Y HN 0.366 nan 8.280 nan 0.000 0.513 978 L N 0.113 121.339 121.223 0.006 0.000 2.012 978 L HA -0.236 4.019 4.340 -0.143 0.000 0.210 978 L C 2.843 179.641 176.870 -0.120 0.000 1.073 978 L CA 1.404 56.196 54.840 -0.080 0.000 0.748 978 L CB -1.108 40.980 42.059 0.048 0.000 0.891 978 L HN 0.339 nan 8.230 nan 0.000 0.431 979 A N -0.461 122.316 122.820 -0.071 0.000 1.969 979 A HA -0.156 4.079 4.320 -0.143 0.000 0.218 979 A C 2.443 179.975 177.584 -0.087 0.000 1.169 979 A CA 1.217 53.219 52.037 -0.059 0.000 0.635 979 A CB -0.415 18.567 19.000 -0.030 0.000 0.810 979 A HN 0.278 nan 8.150 nan 0.000 0.445 980 R N -0.607 119.815 120.500 -0.129 0.000 2.115 980 R HA -0.063 4.191 4.340 -0.143 0.000 0.226 980 R C 2.178 178.367 176.300 -0.185 0.000 1.100 980 R CA 1.305 57.324 56.100 -0.136 0.000 0.980 980 R CB -0.235 29.989 30.300 -0.127 0.000 0.875 980 R HN 0.590 nan 8.270 nan 0.000 0.445 981 K N 0.940 121.158 120.400 -0.304 0.000 2.063 981 K HA -0.216 4.018 4.320 -0.143 0.000 0.208 981 K C 2.144 178.669 176.600 -0.125 0.000 1.048 981 K CA 1.522 57.646 56.287 -0.272 0.000 0.928 981 K CB -0.043 32.242 32.500 -0.358 0.000 0.713 981 K HN -0.019 nan 8.250 nan 0.000 0.442 982 R N 0.399 120.841 120.500 -0.096 0.000 2.081 982 R HA -0.130 4.124 4.340 -0.143 0.000 0.235 982 R C 1.808 178.097 176.300 -0.019 0.000 1.131 982 R CA 1.647 57.721 56.100 -0.043 0.000 0.960 982 R CB 0.028 30.308 30.300 -0.034 0.000 0.856 982 R HN 0.184 nan 8.270 nan 0.000 0.436 983 E N 0.075 120.261 120.200 -0.023 0.000 2.106 983 E HA -0.119 4.145 4.350 -0.143 0.000 0.192 983 E C 2.092 178.718 176.600 0.043 0.000 0.984 983 E CA 1.036 57.444 56.400 0.014 0.000 0.806 983 E CB -0.171 29.531 29.700 0.004 0.000 0.750 983 E HN 0.209 nan 8.360 nan 0.000 0.458 984 V N 1.532 121.445 119.914 -0.003 0.000 2.295 984 V HA -0.250 3.784 4.120 -0.143 0.000 0.246 984 V C 2.172 178.309 176.094 0.072 0.000 1.049 984 V CA 1.920 64.231 62.300 0.017 0.000 1.024 984 V CB -0.462 31.339 31.823 -0.038 0.000 0.648 984 V HN 0.230 nan 8.190 nan 0.000 0.447 985 E N -0.135 120.083 120.200 0.030 0.000 2.085 985 E HA -0.273 3.991 4.350 -0.143 0.000 0.194 985 E C 2.276 178.907 176.600 0.051 0.000 0.994 985 E CA 1.517 57.937 56.400 0.033 0.000 0.801 985 E CB -0.172 29.532 29.700 0.006 0.000 0.743 985 E HN 0.531 nan 8.360 nan 0.000 0.453 986 K N 0.303 120.737 120.400 0.058 0.000 2.057 986 K HA -0.175 4.059 4.320 -0.143 0.000 0.206 986 K C 1.979 178.626 176.600 0.077 0.000 1.050 986 K CA 1.144 57.462 56.287 0.051 0.000 0.935 986 K CB -0.208 32.322 32.500 0.050 0.000 0.715 986 K HN 0.083 nan 8.250 nan 0.000 0.439 987 F N 2.102 122.045 119.950 -0.012 0.000 2.161 987 F HA -0.211 4.358 4.527 0.069 0.000 0.300 987 F C 1.668 177.462 175.800 -0.011 0.000 1.089 987 F CA 1.603 59.601 58.000 -0.004 0.000 1.282 987 F CB -0.122 38.879 39.000 0.000 0.000 1.010 987 F HN 0.157 nan 8.300 nan 0.000 0.485 988 N N 0.336 119.154 118.700 0.198 0.000 2.331 988 N HA -0.067 4.587 4.740 -0.143 0.000 0.180 988 N C 1.692 177.171 175.510 -0.052 0.000 1.019 988 N CA 0.891 53.995 53.050 0.089 0.000 0.881 988 N CB -0.343 38.200 38.487 0.093 0.000 0.972 988 N HN 0.363 nan 8.380 nan 0.000 0.435 989 R N 0.562 121.036 120.500 -0.044 0.000 2.236 989 R HA 0.070 4.324 4.340 -0.143 0.000 0.208 989 R C 0.717 176.958 176.300 -0.098 0.000 1.036 989 R CA 0.661 56.721 56.100 -0.066 0.000 1.001 989 R CB 0.145 30.423 30.300 -0.037 0.000 0.896 989 R HN 0.383 nan 8.270 nan 0.000 0.464 990 E N -0.325 119.782 120.200 -0.155 0.000 2.498 990 E HA 0.132 4.396 4.350 -0.143 0.000 0.203 990 E C -0.345 176.111 176.600 -0.240 0.000 1.013 990 E CA -0.074 56.225 56.400 -0.168 0.000 0.927 990 E CB 0.560 30.160 29.700 -0.168 0.000 1.012 990 E HN 0.166 nan 8.360 nan 0.000 0.482 991 N N -0.179 118.326 118.700 -0.325 0.000 2.352 991 N HA 0.137 4.791 4.740 -0.143 0.000 0.291 991 N C -0.412 174.956 175.510 -0.237 0.000 1.040 991 N CA -0.327 52.534 53.050 -0.314 0.000 0.864 991 N CB 1.932 40.032 38.487 -0.646 0.000 1.440 991 N HN -0.027 nan 8.380 nan 0.000 0.483 992 C N 0.327 119.474 119.300 -0.256 0.000 2.504 992 C HA 0.132 4.506 4.460 -0.143 0.000 0.279 992 C C 1.360 175.965 174.990 -0.641 0.000 1.358 992 C CA 0.003 58.667 59.018 -0.590 0.000 1.747 992 C CB -0.585 26.582 27.740 -0.954 0.000 2.037 992 C HN 0.802 nan 8.230 nan 0.000 0.503 993 W N 0.568 121.887 121.300 0.032 0.000 2.714 993 W HA 0.308 4.877 4.660 -0.151 0.000 0.353 993 W C 0.514 177.119 176.519 0.143 0.000 0.999 993 W CA -0.136 57.280 57.345 0.117 0.000 1.629 993 W CB 0.482 30.006 29.460 0.107 0.000 1.106 993 W HN -0.102 nan 8.180 nan 0.000 0.545 994 K N 1.353 121.926 120.400 0.289 0.000 2.469 994 K HA 0.482 4.716 4.320 -0.143 0.000 0.254 994 K C -0.406 176.436 176.600 0.404 0.000 0.939 994 K CA -0.834 55.664 56.287 0.351 0.000 0.812 994 K CB 2.739 35.508 32.500 0.449 0.000 1.301 994 K HN -0.361 nan 8.250 nan 0.000 0.433 995 K N 2.056 122.659 120.400 0.338 0.000 2.502 995 K HA 0.460 4.694 4.320 -0.143 0.000 0.257 995 K C -0.423 176.243 176.600 0.110 0.000 0.938 995 K CA -0.779 55.682 56.287 0.290 0.000 0.819 995 K CB 2.658 35.233 32.500 0.125 0.000 1.333 995 K HN 0.511 nan 8.250 nan 0.000 0.434 996 R N -0.105 120.412 120.500 0.029 0.000 2.643 996 R HA 0.715 4.969 4.340 -0.143 0.000 0.272 996 R C 0.170 176.452 176.300 -0.030 0.000 0.995 996 R CA -0.839 55.186 56.100 -0.124 0.000 1.032 996 R CB 1.668 31.784 30.300 -0.305 0.000 1.126 996 R HN 0.759 nan 8.270 nan 0.000 0.505 997 G N 0.865 109.644 108.800 -0.035 0.000 2.660 997 G HA2 0.593 4.467 3.960 -0.143 0.000 0.294 997 G HA3 0.593 4.467 3.960 -0.143 0.000 0.294 997 G C -2.058 172.845 174.900 0.005 0.000 1.369 997 G CA -0.468 44.630 45.100 -0.003 0.000 0.912 997 G HN 0.374 nan 8.290 nan 0.000 0.479 998 L N 0.552 121.796 121.223 0.034 0.000 2.505 998 L HA 0.810 5.064 4.340 -0.143 0.000 0.266 998 L C -1.077 175.892 176.870 0.164 0.000 0.954 998 L CA -0.504 54.375 54.840 0.066 0.000 0.852 998 L CB 1.677 43.723 42.059 -0.021 0.000 1.282 998 L HN 0.819 nan 8.230 nan 0.000 0.403 999 C N 5.149 124.570 119.300 0.202 0.000 3.086 999 C HA 0.718 5.092 4.460 -0.143 0.000 0.311 999 C C -1.110 173.967 174.990 0.144 0.000 1.260 999 C CA -0.798 58.347 59.018 0.213 0.000 1.426 999 C CB 1.396 29.253 27.740 0.196 0.000 1.826 999 C HN 0.940 nan 8.230 nan 0.000 0.474 1000 I N 5.630 126.203 120.570 0.005 0.000 2.436 1000 I HA 0.686 4.771 4.170 -0.143 0.000 0.289 1000 I C -1.392 174.732 176.117 0.011 0.000 1.010 1000 I CA -0.505 60.700 61.300 -0.157 0.000 1.098 1000 I CB 0.967 38.584 38.000 -0.639 0.000 1.266 1000 I HN 0.499 nan 8.210 nan 0.000 0.434 1001 I N 9.249 129.881 120.570 0.104 0.000 2.533 1001 I HA 0.512 4.596 4.170 -0.143 0.000 0.290 1001 I C -2.522 173.779 176.117 0.307 0.000 1.056 1001 I CA -2.088 59.347 61.300 0.225 0.000 1.057 1001 I CB 1.937 40.014 38.000 0.127 0.000 1.240 1001 I HN 0.375 nan 8.210 nan 0.000 0.423 1002 P HA 0.486 nan 4.420 nan 0.000 0.283 1002 P C -0.683 176.799 177.300 0.303 0.000 1.278 1002 P CA -0.425 62.874 63.100 0.332 0.000 0.834 1002 P CB 2.429 34.269 31.700 0.234 0.000 1.150 1003 T N -1.083 113.646 114.554 0.292 0.000 2.932 1003 T HA 0.484 4.748 4.350 -0.143 0.000 0.318 1003 T C -1.701 173.192 174.700 0.321 0.000 1.265 1003 T CA -0.695 61.598 62.100 0.322 0.000 1.036 1003 T CB 1.093 70.234 68.868 0.455 0.000 1.209 1003 T HN 0.571 nan 8.240 nan 0.000 0.484 1004 K N 3.135 123.714 120.400 0.299 0.000 2.443 1004 K HA 0.702 4.936 4.320 -0.143 0.000 0.252 1004 K C -2.000 174.796 176.600 0.327 0.000 0.933 1004 K CA -0.781 55.677 56.287 0.284 0.000 0.792 1004 K CB 1.459 34.156 32.500 0.328 0.000 1.185 1004 K HN 0.492 nan 8.250 nan 0.000 0.425 1005 F N 2.583 122.573 119.950 0.066 0.000 2.579 1005 F HA 0.469 4.910 4.527 -0.143 0.000 0.325 1005 F C -0.133 175.561 175.800 -0.176 0.000 1.162 1005 F CA -0.445 57.549 58.000 -0.009 0.000 0.946 1005 F CB 1.802 40.720 39.000 -0.138 0.000 1.211 1005 F HN 0.705 nan 8.300 nan 0.000 0.447 1006 G N 6.490 114.877 108.800 -0.687 0.000 2.403 1006 G HA2 0.441 4.315 3.960 -0.143 0.000 0.259 1006 G HA3 0.441 4.315 3.960 -0.143 0.000 0.259 1006 G C -0.827 173.277 174.900 -1.326 0.000 1.244 1006 G CA -0.432 43.539 45.100 -1.881 0.000 0.849 1006 G HN 0.492 nan 8.290 nan 0.000 0.532 1007 I N 1.471 121.472 120.570 -0.949 0.000 2.330 1007 I HA 0.548 4.632 4.170 -0.143 0.000 0.289 1007 I C 0.201 176.125 176.117 -0.322 0.000 1.001 1007 I CA -0.141 60.816 61.300 -0.572 0.000 1.193 1007 I CB 0.370 37.835 38.000 -0.892 0.000 1.345 1007 I HN 0.496 nan 8.210 nan 0.000 0.461 1008 S N 4.515 120.121 115.700 -0.156 0.000 2.799 1008 S HA 0.154 4.538 4.470 -0.143 0.000 0.267 1008 S C -0.745 173.810 174.600 -0.074 0.000 0.736 1008 S CA -0.938 57.210 58.200 -0.086 0.000 1.070 1008 S CB 0.042 63.233 63.200 -0.015 0.000 1.339 1008 S HN 0.303 nan 8.310 nan 0.000 0.507 1009 F N 2.294 122.185 119.950 -0.097 0.000 2.572 1009 F HA 0.130 4.572 4.527 -0.142 0.000 0.370 1009 F C 2.382 178.114 175.800 -0.115 0.000 1.103 1009 F CA 1.016 58.940 58.000 -0.127 0.000 1.286 1009 F CB 0.729 39.629 39.000 -0.168 0.000 1.105 1009 F HN 0.832 nan 8.300 nan 0.000 0.583 1010 T N 0.432 115.065 114.554 0.131 0.000 2.929 1010 T HA -0.138 4.126 4.350 -0.143 0.000 0.271 1010 T C 0.557 175.291 174.700 0.057 0.000 1.085 1010 T CA 0.379 62.530 62.100 0.085 0.000 1.125 1010 T CB -0.156 68.888 68.868 0.293 0.000 0.874 1010 T HN 0.242 nan 8.240 nan 0.000 0.494 1011 L N 3.204 124.436 121.223 0.016 0.000 2.270 1011 L HA 0.451 4.705 4.340 -0.143 0.000 0.286 1011 L C -1.977 174.714 176.870 -0.299 0.000 1.059 1011 L CA -2.824 51.910 54.840 -0.176 0.000 0.839 1011 L CB 1.415 43.285 42.059 -0.315 0.000 1.221 1011 L HN -0.182 nan 8.230 nan 0.000 0.431 1012 P HA -0.207 nan 4.420 nan 0.000 0.216 1012 P C 1.285 178.519 177.300 -0.111 0.000 1.153 1012 P CA 1.678 64.717 63.100 -0.102 0.000 0.858 1012 P CB -0.089 31.598 31.700 -0.022 0.000 0.789 1013 F N -1.595 118.330 119.950 -0.042 0.000 2.546 1013 F HA 0.011 4.453 4.527 -0.142 0.000 0.298 1013 F C 1.527 177.252 175.800 -0.124 0.000 1.120 1013 F CA 0.722 58.684 58.000 -0.063 0.000 1.456 1013 F CB -1.794 37.180 39.000 -0.043 0.000 1.088 1013 F HN -0.191 nan 8.300 nan 0.000 0.572 1014 L N 0.708 121.659 121.223 -0.453 0.000 2.552 1014 L HA 0.001 4.255 4.340 -0.143 0.000 0.227 1014 L C 0.564 177.199 176.870 -0.390 0.000 1.146 1014 L CA 0.295 54.797 54.840 -0.564 0.000 0.858 1014 L CB -0.707 40.620 42.059 -1.218 0.000 0.969 1014 L HN 0.159 nan 8.230 nan 0.000 0.451 1015 N N 2.583 121.215 118.700 -0.113 0.000 3.124 1015 N HA 0.083 4.738 4.740 -0.143 0.000 0.284 1015 N C -0.477 174.985 175.510 -0.080 0.000 1.209 1015 N CA 0.139 53.204 53.050 0.024 0.000 1.149 1015 N CB 0.402 38.904 38.487 0.026 0.000 1.434 1015 N HN 0.500 nan 8.380 nan 0.000 0.529 1016 Q N -0.998 118.747 119.800 -0.091 0.000 2.418 1016 Q HA 0.769 5.023 4.340 -0.143 0.000 0.282 1016 Q C -1.021 174.868 176.000 -0.185 0.000 1.044 1016 Q CA -1.303 54.366 55.803 -0.223 0.000 0.813 1016 Q CB 2.053 30.732 28.738 -0.099 0.000 1.428 1016 Q HN 0.114 nan 8.270 nan 0.000 0.402 1017 G N -0.391 108.192 108.800 -0.361 0.000 2.733 1017 G HA2 0.732 4.606 3.960 -0.143 0.000 0.297 1017 G HA3 0.732 4.606 3.960 -0.143 0.000 0.297 1017 G C -1.311 173.459 174.900 -0.215 0.000 1.422 1017 G CA -0.423 44.584 45.100 -0.156 0.000 0.942 1017 G HN 0.757 nan 8.290 nan 0.000 0.510 1018 G N -1.114 107.700 108.800 0.023 0.000 2.574 1018 G HA2 0.963 4.837 3.960 -0.143 0.000 0.299 1018 G HA3 0.963 4.837 3.960 -0.143 0.000 0.299 1018 G C -0.741 174.234 174.900 0.125 0.000 1.298 1018 G CA 0.090 45.277 45.100 0.146 0.000 0.952 1018 G HN 1.577 nan 8.290 nan 0.000 0.477 1019 A N -0.287 122.606 122.820 0.121 0.000 2.566 1019 A HA 0.860 5.094 4.320 -0.143 0.000 0.292 1019 A C -1.905 175.704 177.584 0.041 0.000 1.112 1019 A CA -0.645 51.447 52.037 0.092 0.000 0.707 1019 A CB 2.119 21.171 19.000 0.085 0.000 1.302 1019 A HN 1.653 nan 8.150 nan 0.000 0.409 1020 L N 0.658 121.868 121.223 -0.021 0.000 2.436 1020 L HA 0.810 5.064 4.340 -0.143 0.000 0.268 1020 L C -1.481 175.256 176.870 -0.222 0.000 0.974 1020 L CA -0.553 54.224 54.840 -0.106 0.000 0.826 1020 L CB 1.864 43.852 42.059 -0.119 0.000 1.291 1020 L HN 0.916 nan 8.230 nan 0.000 0.406 1021 V N 4.772 124.540 119.914 -0.244 0.000 2.735 1021 V HA 0.686 4.720 4.120 -0.143 0.000 0.310 1021 V C -1.336 174.564 176.094 -0.324 0.000 1.061 1021 V CA -0.292 61.856 62.300 -0.253 0.000 0.913 1021 V CB 1.845 33.624 31.823 -0.074 0.000 1.005 1021 V HN 0.873 nan 8.190 nan 0.000 0.428 1022 H N 4.389 123.400 119.070 -0.098 0.000 2.538 1022 H HA 0.611 5.081 4.556 -0.143 0.000 0.353 1022 H C -0.938 174.215 175.328 -0.291 0.000 1.109 1022 H CA -0.583 55.310 56.048 -0.259 0.000 1.192 1022 H CB 2.058 31.525 29.762 -0.491 0.000 1.555 1022 H HN 0.454 nan 8.280 nan 0.000 0.518 1023 V N 4.291 124.124 119.914 -0.134 0.000 2.357 1023 V HA 0.202 4.236 4.120 -0.143 0.000 0.284 1023 V C -0.250 175.703 176.094 -0.235 0.000 1.018 1023 V CA -0.814 61.434 62.300 -0.087 0.000 0.841 1023 V CB 0.139 31.995 31.823 0.056 0.000 0.991 1023 V HN 0.586 nan 8.190 nan 0.000 0.437 1024 Y N 1.988 122.327 120.300 0.065 0.000 2.281 1024 Y HA 0.167 4.631 4.550 -0.143 0.000 0.337 1024 Y C 2.179 178.033 175.900 -0.077 0.000 1.304 1024 Y CA 0.343 58.426 58.100 -0.027 0.000 1.465 1024 Y CB 0.769 39.216 38.460 -0.021 0.000 1.350 1024 Y HN 0.753 nan 8.280 nan 0.000 0.575 1025 T N -3.341 111.218 114.554 0.007 0.000 3.051 1025 T HA -0.154 4.110 4.350 -0.143 0.000 0.269 1025 T C 0.895 175.566 174.700 -0.049 0.000 1.127 1025 T CA 1.073 63.100 62.100 -0.122 0.000 1.107 1025 T CB -0.378 68.290 68.868 -0.332 0.000 0.898 1025 T HN 0.739 nan 8.240 nan 0.000 0.517 1026 D N 0.954 121.367 120.400 0.021 0.000 2.349 1026 D HA 0.173 4.727 4.640 -0.143 0.000 0.224 1026 D C 1.723 178.076 176.300 0.088 0.000 1.029 1026 D CA 0.635 54.656 54.000 0.036 0.000 0.879 1026 D CB -0.799 40.020 40.800 0.031 0.000 0.906 1026 D HN 0.574 nan 8.370 nan 0.000 0.528 1027 G N 0.215 109.083 108.800 0.113 0.000 2.225 1027 G HA2 -0.298 3.576 3.960 -0.143 0.000 0.254 1027 G HA3 -0.298 3.576 3.960 -0.143 0.000 0.254 1027 G C 0.423 175.579 174.900 0.427 0.000 0.988 1027 G CA 0.489 45.750 45.100 0.268 0.000 0.625 1027 G HN 0.861 nan 8.290 nan 0.000 0.527 1028 S N -0.601 115.270 115.700 0.284 0.000 2.592 1028 S HA 0.696 5.081 4.470 -0.143 0.000 0.271 1028 S C -0.037 174.746 174.600 0.305 0.000 1.326 1028 S CA -0.104 58.254 58.200 0.263 0.000 1.024 1028 S CB 2.502 65.818 63.200 0.193 0.000 0.921 1028 S HN 1.068 nan 8.310 nan 0.000 0.527 1029 V N 2.932 122.992 119.914 0.243 0.000 2.487 1029 V HA 0.500 4.535 4.120 -0.143 0.000 0.298 1029 V C -0.664 175.547 176.094 0.196 0.000 1.028 1029 V CA -0.790 61.624 62.300 0.191 0.000 0.860 1029 V CB 1.329 33.239 31.823 0.145 0.000 0.991 1029 V HN 0.888 nan 8.190 nan 0.000 0.427 1030 L N 6.390 127.723 121.223 0.182 0.000 2.287 1030 L HA 0.730 4.984 4.340 -0.143 0.000 0.287 1030 L C -0.949 175.943 176.870 0.037 0.000 1.022 1030 L CA -0.140 54.825 54.840 0.208 0.000 0.814 1030 L CB 1.316 43.623 42.059 0.414 0.000 1.217 1030 L HN 0.626 nan 8.230 nan 0.000 0.420 1031 L N 4.705 125.934 121.223 0.010 0.000 2.346 1031 L HA 0.835 5.089 4.340 -0.143 0.000 0.274 1031 L C -0.369 176.461 176.870 -0.067 0.000 1.007 1031 L CA 0.309 55.125 54.840 -0.040 0.000 0.818 1031 L CB 2.130 44.188 42.059 -0.001 0.000 1.284 1031 L HN 0.755 nan 8.230 nan 0.000 0.424 1032 T N 3.179 117.691 114.554 -0.070 0.000 2.883 1032 T HA 0.690 4.954 4.350 -0.143 0.000 0.301 1032 T C -1.470 173.220 174.700 -0.018 0.000 1.158 1032 T CA -0.400 61.632 62.100 -0.112 0.000 1.007 1032 T CB 0.701 69.490 68.868 -0.133 0.000 1.186 1032 T HN 0.911 nan 8.240 nan 0.000 0.499 1033 H N -0.342 118.711 119.070 -0.028 0.000 2.966 1033 H HA 0.451 4.921 4.556 -0.143 0.000 0.330 1033 H C 0.942 176.285 175.328 0.024 0.000 1.292 1033 H CA -0.341 55.709 56.048 0.004 0.000 1.127 1033 H CB 1.106 30.877 29.762 0.015 0.000 1.863 1033 H HN 0.771 nan 8.280 nan 0.000 0.543 1034 G N -0.131 108.725 108.800 0.094 0.000 2.471 1034 G HA2 0.026 3.900 3.960 -0.143 0.000 0.219 1034 G HA3 0.026 3.900 3.960 -0.143 0.000 0.219 1034 G C 0.775 175.708 174.900 0.054 0.000 1.125 1034 G CA 0.428 45.554 45.100 0.043 0.000 0.775 1034 G HN 0.813 nan 8.290 nan 0.000 0.548 1035 G N -0.043 108.904 108.800 0.245 0.000 2.527 1035 G HA2 0.440 4.315 3.960 -0.143 0.000 0.248 1035 G HA3 0.440 4.315 3.960 -0.143 0.000 0.248 1035 G C 0.088 175.021 174.900 0.056 0.000 1.231 1035 G CA 0.452 45.682 45.100 0.218 0.000 0.838 1035 G HN 0.411 nan 8.290 nan 0.000 0.570 1036 T N -1.238 113.314 114.554 -0.003 0.000 2.885 1036 T HA 0.549 4.813 4.350 -0.143 0.000 0.285 1036 T C -0.422 174.171 174.700 -0.179 0.000 1.019 1036 T CA -0.846 61.212 62.100 -0.069 0.000 1.010 1036 T CB 2.305 71.134 68.868 -0.066 0.000 1.022 1036 T HN 0.474 nan 8.240 nan 0.000 0.466 1037 E N 2.501 122.540 120.200 -0.268 0.000 2.229 1037 E HA 0.405 4.669 4.350 -0.143 0.000 0.283 1037 E C 0.435 176.963 176.600 -0.121 0.000 1.030 1037 E CA -0.613 55.611 56.400 -0.293 0.000 0.836 1037 E CB 0.682 30.163 29.700 -0.364 0.000 1.068 1037 E HN 0.782 nan 8.360 nan 0.000 0.401 1038 M N 2.422 121.955 119.600 -0.110 0.000 2.414 1038 M HA 0.486 4.880 4.480 -0.143 0.000 0.357 1038 M C 0.799 177.044 176.300 -0.091 0.000 1.059 1038 M CA 0.117 55.342 55.300 -0.125 0.000 0.959 1038 M CB 0.857 33.317 32.600 -0.234 0.000 1.522 1038 M HN 0.592 nan 8.290 nan 0.000 0.551 1039 G N 1.762 110.576 108.800 0.023 0.000 2.255 1039 G HA2 -0.241 3.634 3.960 -0.143 0.000 0.196 1039 G HA3 -0.241 3.634 3.960 -0.143 0.000 0.196 1039 G C 0.802 175.775 174.900 0.122 0.000 0.998 1039 G CA 0.336 45.488 45.100 0.088 0.000 0.656 1039 G HN 0.587 nan 8.290 nan 0.000 0.490 1040 Q N 1.559 121.383 119.800 0.041 0.000 2.444 1040 Q HA 0.333 4.588 4.340 -0.143 0.000 0.206 1040 Q C 1.547 177.551 176.000 0.006 0.000 0.948 1040 Q CA 1.338 57.153 55.803 0.020 0.000 0.946 1040 Q CB -0.293 28.427 28.738 -0.031 0.000 1.027 1040 Q HN 1.922 nan 8.270 nan 0.000 0.513 1041 G N 1.783 110.577 108.800 -0.009 0.000 2.160 1041 G HA2 -0.290 3.584 3.960 -0.143 0.000 0.244 1041 G HA3 -0.290 3.584 3.960 -0.143 0.000 0.244 1041 G C 0.318 175.103 174.900 -0.192 0.000 1.022 1041 G CA 0.410 45.390 45.100 -0.200 0.000 0.741 1041 G HN 0.416 nan 8.290 nan 0.000 0.508 1042 L N -0.136 120.974 121.223 -0.188 0.000 2.056 1042 L HA 0.125 4.379 4.340 -0.143 0.000 0.207 1042 L C 2.511 179.323 176.870 -0.097 0.000 1.078 1042 L CA 2.644 57.392 54.840 -0.153 0.000 0.749 1042 L CB -0.426 41.544 42.059 -0.148 0.000 0.901 1042 L HN 0.379 nan 8.230 nan 0.000 0.433 1043 H N -0.920 118.116 119.070 -0.056 0.000 2.387 1043 H HA -0.071 4.399 4.556 -0.142 0.000 0.299 1043 H C 2.119 177.385 175.328 -0.102 0.000 1.090 1043 H CA 1.703 57.735 56.048 -0.026 0.000 1.332 1043 H CB -0.904 28.835 29.762 -0.037 0.000 1.386 1043 H HN 0.363 nan 8.280 nan 0.000 0.516 1044 T N 1.156 115.665 114.554 -0.075 0.000 2.652 1044 T HA -0.126 4.138 4.350 -0.143 0.000 0.267 1044 T C 2.028 176.695 174.700 -0.054 0.000 1.039 1044 T CA 1.415 63.458 62.100 -0.094 0.000 1.153 1044 T CB 0.004 68.763 68.868 -0.181 0.000 0.863 1044 T HN 0.351 nan 8.240 nan 0.000 0.428 1045 K N 0.381 120.740 120.400 -0.069 0.000 2.103 1045 K HA 0.001 4.235 4.320 -0.143 0.000 0.207 1045 K C 2.319 178.894 176.600 -0.041 0.000 1.048 1045 K CA 1.069 57.324 56.287 -0.052 0.000 0.930 1045 K CB -0.129 32.331 32.500 -0.067 0.000 0.716 1045 K HN 0.227 nan 8.250 nan 0.000 0.444 1046 M N 0.234 119.797 119.600 -0.060 0.000 2.254 1046 M HA -0.089 4.305 4.480 -0.143 0.000 0.265 1046 M C 2.201 178.491 176.300 -0.017 0.000 1.066 1046 M CA 1.160 56.413 55.300 -0.079 0.000 1.123 1046 M CB -0.520 31.974 32.600 -0.177 0.000 1.388 1046 M HN -0.066 nan 8.290 nan 0.000 0.425 1047 V N 0.369 120.282 119.914 -0.003 0.000 2.358 1047 V HA -0.263 3.772 4.120 -0.143 0.000 0.246 1047 V C 2.364 178.460 176.094 0.003 0.000 1.047 1047 V CA 1.494 63.794 62.300 0.001 0.000 1.035 1047 V CB -0.719 31.104 31.823 -0.001 0.000 0.658 1047 V HN 0.502 nan 8.190 nan 0.000 0.452 1048 Q N -0.582 119.219 119.800 0.001 0.000 2.061 1048 Q HA -0.187 4.067 4.340 -0.143 0.000 0.204 1048 Q C 2.366 178.388 176.000 0.038 0.000 0.984 1048 Q CA 1.942 57.748 55.803 0.004 0.000 0.846 1048 Q CB -0.371 28.365 28.738 -0.005 0.000 0.902 1048 Q HN 0.522 nan 8.270 nan 0.000 0.421 1049 V N 0.859 120.825 119.914 0.087 0.000 2.295 1049 V HA -0.287 3.748 4.120 -0.143 0.000 0.246 1049 V C 2.230 178.440 176.094 0.192 0.000 1.049 1049 V CA 1.898 64.333 62.300 0.226 0.000 1.024 1049 V CB -0.920 30.998 31.823 0.158 0.000 0.648 1049 V HN 0.428 nan 8.190 nan 0.000 0.447 1050 A N -0.630 122.242 122.820 0.087 0.000 1.969 1050 A HA -0.207 4.027 4.320 -0.143 0.000 0.218 1050 A C 2.553 180.147 177.584 0.017 0.000 1.169 1050 A CA 2.087 54.155 52.037 0.052 0.000 0.635 1050 A CB -0.639 18.373 19.000 0.019 0.000 0.810 1050 A HN 0.543 nan 8.150 nan 0.000 0.445 1051 S N -0.466 115.233 115.700 -0.003 0.000 2.387 1051 S HA -0.178 4.207 4.470 -0.143 0.000 0.226 1051 S C 2.191 176.764 174.600 -0.045 0.000 1.026 1051 S CA 1.321 59.490 58.200 -0.052 0.000 0.972 1051 S CB -0.382 62.787 63.200 -0.052 0.000 0.814 1051 S HN 0.638 nan 8.310 nan 0.000 0.477 1052 R N 0.529 121.019 120.500 -0.016 0.000 2.066 1052 R HA 0.023 4.277 4.340 -0.143 0.000 0.232 1052 R C 2.409 178.732 176.300 0.039 0.000 1.131 1052 R CA 1.384 57.456 56.100 -0.048 0.000 0.955 1052 R CB -0.786 29.391 30.300 -0.206 0.000 0.851 1052 R HN 0.478 nan 8.270 nan 0.000 0.432 1053 A N 0.953 123.858 122.820 0.141 0.000 1.902 1053 A HA -0.082 4.152 4.320 -0.143 0.000 0.217 1053 A C 2.105 179.711 177.584 0.037 0.000 1.181 1053 A CA 1.120 53.245 52.037 0.147 0.000 0.623 1053 A CB -0.374 18.698 19.000 0.121 0.000 0.818 1053 A HN 0.366 nan 8.150 nan 0.000 0.443 1054 L N -1.560 119.662 121.223 -0.002 0.000 2.492 1054 L HA 0.044 4.298 4.340 -0.143 0.000 0.223 1054 L C 0.193 177.023 176.870 -0.065 0.000 1.132 1054 L CA 0.288 55.107 54.840 -0.035 0.000 0.850 1054 L CB -0.207 41.763 42.059 -0.149 0.000 0.966 1054 L HN 0.329 nan 8.230 nan 0.000 0.454 1055 K N 1.475 121.844 120.400 -0.052 0.000 3.148 1055 K HA -0.189 4.045 4.320 -0.143 0.000 0.267 1055 K C -0.414 176.103 176.600 -0.138 0.000 0.996 1055 K CA 0.613 56.873 56.287 -0.046 0.000 0.737 1055 K CB -1.840 30.689 32.500 0.048 0.000 1.308 1055 K HN 0.528 nan 8.250 nan 0.000 0.470 1056 I N -4.379 116.039 120.570 -0.254 0.000 2.828 1056 I HA 0.629 4.713 4.170 -0.143 0.000 0.302 1056 I C -2.658 173.327 176.117 -0.220 0.000 1.101 1056 I CA -3.229 57.859 61.300 -0.353 0.000 1.031 1056 I CB 2.367 39.911 38.000 -0.759 0.000 1.231 1056 I HN -0.274 nan 8.210 nan 0.000 0.427 1057 P HA 0.071 nan 4.420 nan 0.000 0.269 1057 P C 0.878 178.125 177.300 -0.087 0.000 1.215 1057 P CA -0.034 63.006 63.100 -0.101 0.000 0.780 1057 P CB 0.514 32.170 31.700 -0.073 0.000 0.898 1058 T N -2.057 112.468 114.554 -0.049 0.000 2.929 1058 T HA -0.165 4.099 4.350 -0.143 0.000 0.271 1058 T C 1.644 176.340 174.700 -0.006 0.000 1.085 1058 T CA 1.542 63.627 62.100 -0.026 0.000 1.125 1058 T CB -1.211 67.654 68.868 -0.006 0.000 0.874 1058 T HN 0.468 nan 8.240 nan 0.000 0.494 1059 S N 1.597 117.292 115.700 -0.008 0.000 2.469 1059 S HA -0.026 4.359 4.470 -0.143 0.000 0.238 1059 S C 1.790 176.398 174.600 0.014 0.000 0.998 1059 S CA 0.556 58.762 58.200 0.010 0.000 0.957 1059 S CB -0.470 62.732 63.200 0.003 0.000 0.764 1059 S HN 0.605 nan 8.310 nan 0.000 0.514 1060 K N 0.250 120.641 120.400 -0.014 0.000 2.404 1060 K HA 0.373 4.607 4.320 -0.143 0.000 0.194 1060 K C -0.196 176.430 176.600 0.043 0.000 1.023 1060 K CA 0.164 56.452 56.287 0.000 0.000 1.094 1060 K CB 0.131 32.584 32.500 -0.078 0.000 0.841 1060 K HN 0.456 nan 8.250 nan 0.000 0.523 1061 I N 0.085 120.683 120.570 0.047 0.000 2.509 1061 I HA 0.221 4.305 4.170 -0.143 0.000 0.293 1061 I C -0.766 175.433 176.117 0.137 0.000 1.020 1061 I CA -1.076 60.269 61.300 0.074 0.000 1.088 1061 I CB 1.670 39.681 38.000 0.018 0.000 1.267 1061 I HN -0.025 nan 8.210 nan 0.000 0.430 1062 H N 5.603 124.692 119.070 0.031 0.000 2.851 1062 H HA 0.668 5.139 4.556 -0.143 0.000 0.372 1062 H C -1.566 173.756 175.328 -0.009 0.000 1.158 1062 H CA -0.473 55.585 56.048 0.017 0.000 1.159 1062 H CB 1.823 31.606 29.762 0.034 0.000 1.757 1062 H HN 0.416 nan 8.280 nan 0.000 0.546 1063 I N 3.314 123.515 120.570 -0.616 0.000 2.436 1063 I HA 0.175 4.259 4.170 -0.143 0.000 0.289 1063 I C 0.495 176.178 176.117 -0.722 0.000 1.010 1063 I CA -0.327 60.659 61.300 -0.523 0.000 1.098 1063 I CB 2.083 39.771 38.000 -0.521 0.000 1.266 1063 I HN 0.643 nan 8.210 nan 0.000 0.434 1064 S N 4.971 120.454 115.700 -0.361 0.000 2.460 1064 S HA 0.176 4.560 4.470 -0.143 0.000 0.226 1064 S C 0.288 174.809 174.600 -0.133 0.000 1.057 1064 S CA 0.506 58.612 58.200 -0.157 0.000 0.948 1064 S CB 0.276 63.520 63.200 0.073 0.000 0.822 1064 S HN 0.815 nan 8.310 nan 0.000 0.512 1065 E N -1.100 119.000 120.200 -0.167 0.000 2.432 1065 E HA 0.360 4.624 4.350 -0.143 0.000 0.279 1065 E C -1.686 174.832 176.600 -0.136 0.000 1.099 1065 E CA -1.002 55.342 56.400 -0.094 0.000 0.859 1065 E CB 0.645 30.338 29.700 -0.012 0.000 1.402 1065 E HN -0.021 nan 8.360 nan 0.000 0.451 1066 T N 1.153 115.659 114.554 -0.081 0.000 2.823 1066 T HA 0.658 4.923 4.350 -0.143 0.000 0.279 1066 T C -0.917 173.734 174.700 -0.082 0.000 0.998 1066 T CA -0.507 61.527 62.100 -0.110 0.000 0.994 1066 T CB 1.195 70.013 68.868 -0.083 0.000 0.960 1066 T HN 0.587 nan 8.240 nan 0.000 0.448 1067 S N 0.112 115.762 115.700 -0.082 0.000 2.543 1067 S HA 0.355 4.739 4.470 -0.143 0.000 0.271 1067 S C 1.029 175.591 174.600 -0.065 0.000 1.148 1067 S CA -0.704 57.450 58.200 -0.076 0.000 0.914 1067 S CB 1.269 64.431 63.200 -0.063 0.000 1.096 1067 S HN 0.740 nan 8.310 nan 0.000 0.471 1068 T N -0.788 113.722 114.554 -0.073 0.000 3.025 1068 T HA -0.131 4.133 4.350 -0.143 0.000 0.270 1068 T C 1.051 175.726 174.700 -0.042 0.000 1.126 1068 T CA 1.486 63.551 62.100 -0.059 0.000 1.105 1068 T CB -0.808 68.017 68.868 -0.071 0.000 0.884 1068 T HN 0.761 nan 8.240 nan 0.000 0.522 1069 N N 1.109 119.786 118.700 -0.039 0.000 2.230 1069 N HA 0.031 4.685 4.740 -0.143 0.000 0.202 1069 N C 1.220 176.730 175.510 0.000 0.000 1.119 1069 N CA 0.642 53.680 53.050 -0.020 0.000 0.851 1069 N CB -0.151 38.323 38.487 -0.022 0.000 0.990 1069 N HN 0.625 nan 8.380 nan 0.000 0.497 1070 T N -3.520 111.032 114.554 -0.004 0.000 3.026 1070 T HA 0.298 4.563 4.350 -0.143 0.000 0.245 1070 T C 0.299 175.002 174.700 0.006 0.000 1.004 1070 T CA 0.048 62.154 62.100 0.011 0.000 1.069 1070 T CB 0.057 68.928 68.868 0.006 0.000 1.005 1070 T HN -0.104 nan 8.240 nan 0.000 0.472 1071 V N 4.273 124.185 119.914 -0.004 0.000 2.524 1071 V HA 0.541 4.575 4.120 -0.143 0.000 0.297 1071 V C -2.681 173.419 176.094 0.010 0.000 1.035 1071 V CA -1.902 60.408 62.300 0.016 0.000 0.867 1071 V CB 2.318 34.157 31.823 0.026 0.000 1.004 1071 V HN 0.286 nan 8.190 nan 0.000 0.426 1072 P HA 0.451 nan 4.420 nan 0.000 0.283 1072 P C -0.457 176.852 177.300 0.015 0.000 1.271 1072 P CA -0.469 62.630 63.100 -0.000 0.000 0.841 1072 P CB 0.901 32.596 31.700 -0.008 0.000 1.122 1073 N N -1.870 116.826 118.700 -0.008 0.000 2.740 1073 N HA -0.103 4.551 4.740 -0.143 0.000 0.248 1073 N C -0.078 175.442 175.510 0.017 0.000 1.062 1073 N CA 1.186 54.234 53.050 -0.003 0.000 0.704 1073 N CB -2.419 36.072 38.487 0.007 0.000 0.968 1073 N HN 0.657 nan 8.380 nan 0.000 0.547 1074 T N -3.111 111.441 114.554 -0.004 0.000 2.913 1074 T HA 0.551 4.815 4.350 -0.143 0.000 0.287 1074 T C 0.776 175.451 174.700 -0.041 0.000 1.008 1074 T CA -0.582 61.519 62.100 0.000 0.000 1.067 1074 T CB 1.867 70.735 68.868 0.000 0.000 0.996 1074 T HN 0.093 nan 8.240 nan 0.000 0.513 1075 S N 3.298 118.962 115.700 -0.059 0.000 2.614 1075 S HA 0.406 4.790 4.470 -0.143 0.000 0.265 1075 S C -1.988 172.574 174.600 -0.063 0.000 1.303 1075 S CA -0.932 57.176 58.200 -0.153 0.000 1.000 1075 S CB 0.102 63.117 63.200 -0.307 0.000 0.935 1075 S HN 0.737 nan 8.310 nan 0.000 0.551 1076 P HA 0.102 nan 4.420 nan 0.000 0.272 1076 P C -0.780 176.605 177.300 0.142 0.000 1.230 1076 P CA -0.236 62.887 63.100 0.039 0.000 0.788 1076 P CB 0.042 31.780 31.700 0.063 0.000 0.949 1077 T N 1.280 115.877 114.554 0.070 0.000 2.776 1077 T HA 0.519 4.783 4.350 -0.143 0.000 0.292 1077 T C 0.170 174.896 174.700 0.044 0.000 0.921 1077 T CA 0.353 62.489 62.100 0.059 0.000 1.038 1077 T CB -0.596 68.271 68.868 -0.001 0.000 0.910 1077 T HN 0.636 nan 8.240 nan 0.000 0.536 1078 A N 2.297 125.144 122.820 0.045 0.000 2.540 1078 A HA 0.815 5.050 4.320 -0.143 0.000 0.291 1078 A C 0.489 177.834 177.584 -0.399 0.000 1.083 1078 A CA -0.258 51.727 52.037 -0.087 0.000 0.650 1078 A CB 0.062 19.080 19.000 0.030 0.000 1.292 1078 A HN 1.573 nan 8.150 nan 0.000 0.435 1079 A N -0.786 121.722 122.820 -0.519 0.000 2.979 1079 A HA 0.065 4.299 4.320 -0.143 0.000 0.260 1079 A C 1.295 178.653 177.584 -0.376 0.000 1.282 1079 A CA 1.759 53.386 52.037 -0.682 0.000 0.971 1079 A CB -2.521 15.533 19.000 -1.577 0.000 1.124 1079 A HN 2.544 nan 8.150 nan 0.000 0.826 1080 S N -4.145 111.413 115.700 -0.236 0.000 3.143 1080 S HA -0.317 4.067 4.470 -0.143 0.000 0.291 1080 S C 1.246 175.769 174.600 -0.128 0.000 1.294 1080 S CA 1.911 60.019 58.200 -0.152 0.000 1.115 1080 S CB -1.880 61.229 63.200 -0.152 0.000 1.318 1080 S HN 2.508 nan 8.310 nan 0.000 0.685 1081 A N 0.066 122.781 122.820 -0.176 0.000 2.267 1081 A HA 0.451 4.685 4.320 -0.143 0.000 0.213 1081 A C 1.836 179.409 177.584 -0.019 0.000 1.192 1081 A CA 0.921 52.898 52.037 -0.100 0.000 0.851 1081 A CB -0.130 18.774 19.000 -0.160 0.000 0.881 1081 A HN 0.473 nan 8.150 nan 0.000 0.494 1082 S N 0.307 115.994 115.700 -0.022 0.000 2.406 1082 S HA -0.003 4.381 4.470 -0.143 0.000 0.228 1082 S C 2.200 176.781 174.600 -0.032 0.000 1.020 1082 S CA 1.052 59.259 58.200 0.012 0.000 0.965 1082 S CB -0.171 63.037 63.200 0.015 0.000 0.798 1082 S HN 0.754 nan 8.310 nan 0.000 0.488 1083 A N 1.881 124.668 122.820 -0.054 0.000 1.968 1083 A HA -0.085 4.150 4.320 -0.143 0.000 0.217 1083 A C 1.703 179.230 177.584 -0.096 0.000 1.169 1083 A CA 1.397 53.380 52.037 -0.089 0.000 0.638 1083 A CB -0.505 18.450 19.000 -0.075 0.000 0.812 1083 A HN 0.319 nan 8.150 nan 0.000 0.446 1084 D N 0.212 120.581 120.400 -0.052 0.000 2.117 1084 D HA -0.107 4.447 4.640 -0.143 0.000 0.197 1084 D C 1.912 178.125 176.300 -0.145 0.000 0.987 1084 D CA 1.088 55.047 54.000 -0.068 0.000 0.829 1084 D CB -0.246 40.589 40.800 0.059 0.000 0.961 1084 D HN 0.457 nan 8.370 nan 0.000 0.460 1085 L N 0.068 121.264 121.223 -0.044 0.000 2.049 1085 L HA -0.053 4.201 4.340 -0.143 0.000 0.203 1085 L C 1.835 178.664 176.870 -0.069 0.000 1.074 1085 L CA 1.032 55.881 54.840 0.015 0.000 0.749 1085 L CB -0.394 41.720 42.059 0.091 0.000 0.907 1085 L HN -0.051 nan 8.230 nan 0.000 0.439 1086 N N 0.030 118.687 118.700 -0.072 0.000 2.331 1086 N HA -0.099 4.555 4.740 -0.143 0.000 0.180 1086 N C 1.861 177.268 175.510 -0.172 0.000 1.019 1086 N CA 0.982 53.971 53.050 -0.101 0.000 0.881 1086 N CB -0.214 38.188 38.487 -0.143 0.000 0.972 1086 N HN 0.303 nan 8.380 nan 0.000 0.435 1087 G N 0.726 109.406 108.800 -0.200 0.000 2.418 1087 G HA2 -0.247 3.627 3.960 -0.143 0.000 0.217 1087 G HA3 -0.247 3.627 3.960 -0.143 0.000 0.217 1087 G C 1.469 176.237 174.900 -0.220 0.000 1.158 1087 G CA 0.506 45.485 45.100 -0.201 0.000 0.771 1087 G HN 0.185 nan 8.290 nan 0.000 0.545 1088 Q N 0.488 120.079 119.800 -0.348 0.000 2.084 1088 Q HA -0.063 4.191 4.340 -0.143 0.000 0.202 1088 Q C 2.824 178.770 176.000 -0.091 0.000 0.978 1088 Q CA 1.452 57.022 55.803 -0.388 0.000 0.844 1088 Q CB -0.913 27.244 28.738 -0.970 0.000 0.898 1088 Q HN 0.445 nan 8.270 nan 0.000 0.426 1089 G N 0.545 109.307 108.800 -0.064 0.000 2.421 1089 G HA2 -0.206 3.669 3.960 -0.143 0.000 0.216 1089 G HA3 -0.206 3.669 3.960 -0.143 0.000 0.216 1089 G C 1.659 176.586 174.900 0.045 0.000 1.171 1089 G CA 1.036 46.154 45.100 0.029 0.000 0.775 1089 G HN 0.251 nan 8.290 nan 0.000 0.543 1090 V N 0.048 119.969 119.914 0.011 0.000 2.287 1090 V HA -0.262 3.772 4.120 -0.143 0.000 0.248 1090 V C 2.305 178.424 176.094 0.042 0.000 1.053 1090 V CA 2.094 64.405 62.300 0.018 0.000 1.027 1090 V CB -0.740 31.073 31.823 -0.018 0.000 0.646 1090 V HN 0.525 nan 8.190 nan 0.000 0.447 1091 Y N 1.060 121.310 120.300 -0.084 0.000 2.128 1091 Y HA -0.244 4.220 4.550 -0.143 0.000 0.284 1091 Y C 2.634 178.520 175.900 -0.023 0.000 1.154 1091 Y CA 2.136 60.192 58.100 -0.074 0.000 1.149 1091 Y CB -0.073 38.269 38.460 -0.197 0.000 0.976 1091 Y HN 0.256 nan 8.280 nan 0.000 0.505 1092 E N 0.313 120.561 120.200 0.080 0.000 2.072 1092 E HA -0.158 4.107 4.350 -0.143 0.000 0.191 1092 E C 2.454 179.042 176.600 -0.021 0.000 0.985 1092 E CA 1.045 57.464 56.400 0.032 0.000 0.801 1092 E CB -0.752 29.034 29.700 0.144 0.000 0.750 1092 E HN 0.583 nan 8.360 nan 0.000 0.452 1093 A N 0.925 123.751 122.820 0.011 0.000 1.908 1093 A HA -0.210 4.024 4.320 -0.143 0.000 0.218 1093 A C 2.624 180.195 177.584 -0.021 0.000 1.181 1093 A CA 1.577 53.618 52.037 0.007 0.000 0.627 1093 A CB -0.948 18.062 19.000 0.017 0.000 0.818 1093 A HN 0.344 nan 8.150 nan 0.000 0.445 1094 C N -1.004 118.262 119.300 -0.057 0.000 2.440 1094 C HA -0.072 4.302 4.460 -0.143 0.000 0.278 1094 C C 2.861 177.797 174.990 -0.090 0.000 1.295 1094 C CA 1.038 60.024 59.018 -0.053 0.000 1.738 1094 C CB -1.014 26.683 27.740 -0.070 0.000 1.987 1094 C HN 0.596 nan 8.230 nan 0.000 0.492 1095 Q N 0.462 120.133 119.800 -0.215 0.000 2.124 1095 Q HA -0.129 4.125 4.340 -0.143 0.000 0.202 1095 Q C 2.230 178.191 176.000 -0.066 0.000 0.977 1095 Q CA 1.790 57.478 55.803 -0.191 0.000 0.850 1095 Q CB -1.121 27.445 28.738 -0.286 0.000 0.901 1095 Q HN 0.638 nan 8.270 nan 0.000 0.429 1096 T N 1.905 116.436 114.554 -0.038 0.000 2.684 1096 T HA -0.101 4.164 4.350 -0.143 0.000 0.267 1096 T C 1.887 176.598 174.700 0.019 0.000 1.036 1096 T CA 0.898 62.998 62.100 0.000 0.000 1.148 1096 T CB -0.085 68.791 68.868 0.014 0.000 0.863 1096 T HN 0.129 nan 8.240 nan 0.000 0.436 1097 I N 1.163 121.752 120.570 0.032 0.000 2.163 1097 I HA -0.107 3.977 4.170 -0.143 0.000 0.243 1097 I C 2.385 178.548 176.117 0.076 0.000 1.085 1097 I CA 1.386 62.725 61.300 0.065 0.000 1.347 1097 I CB -1.290 36.776 38.000 0.109 0.000 1.044 1097 I HN 0.284 nan 8.210 nan 0.000 0.408 1098 L N 0.286 121.553 121.223 0.073 0.000 2.131 1098 L HA -0.221 4.033 4.340 -0.143 0.000 0.210 1098 L C 2.594 179.478 176.870 0.024 0.000 1.092 1098 L CA 1.276 56.158 54.840 0.071 0.000 0.759 1098 L CB -0.565 41.523 42.059 0.048 0.000 0.903 1098 L HN 0.253 nan 8.230 nan 0.000 0.435 1099 K N 0.377 120.784 120.400 0.012 0.000 2.097 1099 K HA -0.143 4.091 4.320 -0.143 0.000 0.205 1099 K C 2.239 178.847 176.600 0.013 0.000 1.050 1099 K CA 1.097 57.385 56.287 0.000 0.000 0.938 1099 K CB 0.095 32.595 32.500 -0.000 0.000 0.718 1099 K HN 0.218 nan 8.250 nan 0.000 0.442 1100 R N 0.126 120.650 120.500 0.039 0.000 2.148 1100 R HA -0.019 4.235 4.340 -0.143 0.000 0.227 1100 R C 2.000 178.392 176.300 0.153 0.000 1.103 1100 R CA 0.806 56.953 56.100 0.079 0.000 0.983 1100 R CB -0.064 30.282 30.300 0.075 0.000 0.874 1100 R HN 0.219 nan 8.270 nan 0.000 0.451 1101 L N 0.866 122.152 121.223 0.106 0.000 2.509 1101 L HA -0.020 4.234 4.340 -0.143 0.000 0.222 1101 L C 2.407 179.298 176.870 0.035 0.000 1.123 1101 L CA 0.427 55.359 54.840 0.153 0.000 0.856 1101 L CB -0.324 41.742 42.059 0.011 0.000 0.985 1101 L HN 0.287 nan 8.230 nan 0.000 0.456 1102 E N 1.510 121.676 120.200 -0.056 0.000 2.097 1102 E HA -0.228 4.037 4.350 -0.143 0.000 0.196 1102 E C -0.774 175.689 176.600 -0.229 0.000 1.000 1102 E CA 1.267 57.573 56.400 -0.157 0.000 0.804 1102 E CB -1.044 28.592 29.700 -0.106 0.000 0.740 1102 E HN 0.293 nan 8.360 nan 0.000 0.454 1103 P HA -0.095 nan 4.420 nan 0.000 0.218 1103 P C 0.661 177.637 177.300 -0.539 0.000 1.149 1103 P CA 1.178 63.999 63.100 -0.464 0.000 0.817 1103 P CB -0.138 31.156 31.700 -0.676 0.000 0.785 1104 F N -0.259 119.574 119.950 -0.195 0.000 2.335 1104 F HA 0.085 4.526 4.527 -0.143 0.000 0.296 1104 F C 2.390 177.958 175.800 -0.388 0.000 1.091 1104 F CA 0.850 58.741 58.000 -0.182 0.000 1.399 1104 F CB -0.624 38.324 39.000 -0.087 0.000 1.067 1104 F HN -0.194 nan 8.300 nan 0.000 0.520 1105 K N 1.115 121.153 120.400 -0.603 0.000 2.057 1105 K HA -0.177 4.057 4.320 -0.143 0.000 0.206 1105 K C 2.239 178.648 176.600 -0.318 0.000 1.050 1105 K CA 1.144 56.860 56.287 -0.951 0.000 0.935 1105 K CB -0.079 31.812 32.500 -1.015 0.000 0.715 1105 K HN 0.075 nan 8.250 nan 0.000 0.439 1106 K N 0.881 121.137 120.400 -0.241 0.000 2.097 1106 K HA -0.166 4.068 4.320 -0.143 0.000 0.206 1106 K C 1.746 178.311 176.600 -0.059 0.000 1.049 1106 K CA 1.569 57.779 56.287 -0.128 0.000 0.933 1106 K CB 0.111 32.529 32.500 -0.138 0.000 0.717 1106 K HN 0.095 nan 8.250 nan 0.000 0.442 1107 K N 0.163 120.532 120.400 -0.052 0.000 2.103 1107 K HA -0.049 4.185 4.320 -0.143 0.000 0.204 1107 K C 0.361 177.019 176.600 0.098 0.000 1.052 1107 K CA 0.981 57.277 56.287 0.015 0.000 0.945 1107 K CB 0.184 32.692 32.500 0.013 0.000 0.722 1107 K HN -0.039 nan 8.250 nan 0.000 0.443 1108 K N 0.699 121.209 120.400 0.184 0.000 2.679 1108 K HA 0.165 4.400 4.320 -0.143 0.000 0.188 1108 K C -2.438 174.426 176.600 0.440 0.000 1.055 1108 K CA -1.343 55.129 56.287 0.309 0.000 1.006 1108 K CB 1.674 34.417 32.500 0.405 0.000 1.317 1108 K HN -0.151 nan 8.250 nan 0.000 0.584 1109 P HA -0.130 nan 4.420 nan 0.000 0.226 1109 P C 0.986 178.511 177.300 0.375 0.000 1.153 1109 P CA 1.087 64.353 63.100 0.276 0.000 0.777 1109 P CB 0.281 32.064 31.700 0.139 0.000 0.794 1110 T N -4.951 109.773 114.554 0.284 0.000 3.038 1110 T HA 0.230 4.494 4.350 -0.143 0.000 0.244 1110 T C 1.346 176.106 174.700 0.101 0.000 1.016 1110 T CA 0.233 62.445 62.100 0.187 0.000 1.098 1110 T CB -1.206 67.728 68.868 0.109 0.000 0.954 1110 T HN 0.042 nan 8.240 nan 0.000 0.469 1111 G N 4.696 113.554 108.800 0.097 0.000 2.368 1111 G HA2 0.395 4.269 3.960 -0.143 0.000 0.233 1111 G HA3 0.395 4.269 3.960 -0.143 0.000 0.233 1111 G C -2.139 172.526 174.900 -0.392 0.000 1.267 1111 G CA -0.681 44.382 45.100 -0.063 0.000 0.873 1111 G HN 0.345 nan 8.290 nan 0.000 0.539 1112 P HA -0.052 nan 4.420 nan 0.000 0.277 1112 P C 0.906 177.671 177.300 -0.892 0.000 1.276 1112 P CA -0.692 62.103 63.100 -0.508 0.000 0.788 1112 P CB 0.777 32.343 31.700 -0.224 0.000 1.114 1113 W N 1.024 121.826 121.300 -0.830 0.000 2.338 1113 W HA -0.201 4.374 4.660 -0.142 0.000 0.304 1113 W C 1.180 177.513 176.519 -0.310 0.000 1.212 1113 W CA 1.757 58.744 57.345 -0.597 0.000 1.264 1113 W CB -0.386 28.947 29.460 -0.212 0.000 1.142 1113 W HN 0.320 nan 8.180 nan 0.000 0.512 1114 E N 0.760 120.860 120.200 -0.167 0.000 2.106 1114 E HA -0.126 4.138 4.350 -0.143 0.000 0.192 1114 E C 2.416 178.885 176.600 -0.218 0.000 0.984 1114 E CA 1.904 58.203 56.400 -0.168 0.000 0.806 1114 E CB -0.861 28.818 29.700 -0.036 0.000 0.750 1114 E HN 0.279 nan 8.360 nan 0.000 0.458 1115 A N 0.459 123.129 122.820 -0.250 0.000 1.873 1115 A HA -0.160 4.074 4.320 -0.143 0.000 0.215 1115 A C 1.685 179.227 177.584 -0.070 0.000 1.186 1115 A CA 1.199 53.143 52.037 -0.155 0.000 0.616 1115 A CB -0.915 17.999 19.000 -0.143 0.000 0.823 1115 A HN 0.301 nan 8.150 nan 0.000 0.442 1116 W N 0.057 121.264 121.300 -0.156 0.000 2.335 1116 W HA -0.135 4.439 4.660 -0.143 0.000 0.311 1116 W C 2.337 178.595 176.519 -0.434 0.000 1.213 1116 W CA 1.049 58.263 57.345 -0.218 0.000 1.274 1116 W CB -1.536 27.806 29.460 -0.195 0.000 1.148 1116 W HN 0.180 nan 8.180 nan 0.000 0.498 1117 V N 0.488 120.225 119.914 -0.295 0.000 2.261 1117 V HA -0.331 3.703 4.120 -0.143 0.000 0.246 1117 V C 2.264 178.220 176.094 -0.229 0.000 1.047 1117 V CA 2.315 64.386 62.300 -0.380 0.000 1.015 1117 V CB -0.989 30.532 31.823 -0.503 0.000 0.642 1117 V HN 0.070 nan 8.190 nan 0.000 0.446 1118 M N 0.420 119.927 119.600 -0.156 0.000 2.159 1118 M HA -0.155 4.239 4.480 -0.143 0.000 0.263 1118 M C 1.587 177.842 176.300 -0.075 0.000 1.063 1118 M CA 1.783 57.054 55.300 -0.049 0.000 1.110 1118 M CB -0.702 31.884 32.600 -0.024 0.000 1.374 1118 M HN 0.306 nan 8.290 nan 0.000 0.411 1119 D N 0.087 120.385 120.400 -0.170 0.000 2.144 1119 D HA -0.035 4.519 4.640 -0.143 0.000 0.200 1119 D C 2.006 177.945 176.300 -0.601 0.000 0.978 1119 D CA 1.617 55.479 54.000 -0.230 0.000 0.833 1119 D CB -0.420 40.348 40.800 -0.055 0.000 0.961 1119 D HN 0.490 nan 8.370 nan 0.000 0.470 1120 A N 0.331 122.568 122.820 -0.972 0.000 1.877 1120 A HA -0.223 4.012 4.320 -0.143 0.000 0.216 1120 A C 2.205 179.581 177.584 -0.347 0.000 1.186 1120 A CA 1.310 52.744 52.037 -1.004 0.000 0.620 1120 A CB -1.064 17.497 19.000 -0.730 0.000 0.822 1120 A HN 0.322 nan 8.150 nan 0.000 0.443 1121 Y N 1.947 122.073 120.300 -0.290 0.000 2.114 1121 Y HA -0.220 4.244 4.550 -0.143 0.000 0.284 1121 Y C 2.688 178.526 175.900 -0.104 0.000 1.143 1121 Y CA 2.515 60.523 58.100 -0.154 0.000 1.135 1121 Y CB -0.814 37.575 38.460 -0.118 0.000 0.980 1121 Y HN 0.394 nan 8.280 nan 0.000 0.499 1122 T N -3.092 111.272 114.554 -0.316 0.000 3.160 1122 T HA 0.022 4.286 4.350 -0.143 0.000 0.257 1122 T C 1.472 176.047 174.700 -0.208 0.000 1.147 1122 T CA 0.876 62.774 62.100 -0.337 0.000 1.064 1122 T CB -0.425 68.376 68.868 -0.112 0.000 0.949 1122 T HN 0.250 nan 8.240 nan 0.000 0.526 1123 S N 1.029 116.638 115.700 -0.152 0.000 2.577 1123 S HA 0.604 4.988 4.470 -0.143 0.000 0.219 1123 S C 1.089 175.659 174.600 -0.050 0.000 0.962 1123 S CA 0.091 58.279 58.200 -0.019 0.000 0.921 1123 S CB -0.209 63.114 63.200 0.204 0.000 0.789 1123 S HN 0.977 nan 8.310 nan 0.000 0.497 1124 A N 0.905 123.625 122.820 -0.167 0.000 2.519 1124 A HA -0.128 4.106 4.320 -0.143 0.000 0.297 1124 A C 0.073 177.633 177.584 -0.040 0.000 1.472 1124 A CA 0.185 52.142 52.037 -0.133 0.000 0.739 1124 A CB -2.077 16.859 19.000 -0.106 0.000 1.096 1124 A HN 0.304 nan 8.150 nan 0.000 0.414 1125 V N 1.152 121.049 119.914 -0.028 0.000 2.513 1125 V HA 0.594 4.628 4.120 -0.143 0.000 0.299 1125 V C 1.013 177.118 176.094 0.019 0.000 1.035 1125 V CA 0.100 62.415 62.300 0.025 0.000 0.889 1125 V CB 1.874 33.742 31.823 0.076 0.000 0.988 1125 V HN 1.105 nan 8.190 nan 0.000 0.440 1126 S N 4.244 119.962 115.700 0.030 0.000 2.533 1126 S HA 0.302 4.686 4.470 -0.143 0.000 0.282 1126 S C 0.282 174.898 174.600 0.028 0.000 1.304 1126 S CA -0.226 57.994 58.200 0.033 0.000 1.063 1126 S CB 0.075 63.294 63.200 0.033 0.000 0.881 1126 S HN 0.598 nan 8.310 nan 0.000 0.493 1127 L N 4.118 125.355 121.223 0.024 0.000 3.062 1127 L HA 0.342 4.596 4.340 -0.143 0.000 0.255 1127 L C 0.401 177.286 176.870 0.024 0.000 1.274 1127 L CA -0.196 54.646 54.840 0.004 0.000 1.047 1127 L CB 0.435 42.477 42.059 -0.028 0.000 1.402 1127 L HN 0.537 nan 8.230 nan 0.000 0.550 1128 S N 0.370 116.105 115.700 0.058 0.000 2.548 1128 S HA 0.899 5.284 4.470 -0.143 0.000 0.286 1128 S C -0.911 173.736 174.600 0.077 0.000 1.098 1128 S CA -0.309 57.967 58.200 0.128 0.000 0.930 1128 S CB 1.946 65.268 63.200 0.205 0.000 1.070 1128 S HN 0.201 nan 8.310 nan 0.000 0.480 1129 A N 2.177 125.027 122.820 0.050 0.000 2.574 1129 A HA 0.742 4.977 4.320 -0.143 0.000 0.297 1129 A C -0.192 177.402 177.584 0.018 0.000 1.062 1129 A CA -0.646 51.411 52.037 0.034 0.000 0.686 1129 A CB 1.120 20.137 19.000 0.028 0.000 1.285 1129 A HN 0.978 nan 8.150 nan 0.000 0.403 1130 T N -0.493 114.081 114.554 0.034 0.000 2.918 1130 T HA 0.760 5.024 4.350 -0.143 0.000 0.283 1130 T C 0.385 175.128 174.700 0.072 0.000 1.001 1130 T CA 0.009 62.138 62.100 0.048 0.000 1.041 1130 T CB 1.660 70.564 68.868 0.060 0.000 1.028 1130 T HN 1.745 nan 8.240 nan 0.000 0.511 1131 G N -0.018 108.845 108.800 0.106 0.000 2.563 1131 G HA2 0.676 4.550 3.960 -0.143 0.000 0.302 1131 G HA3 0.676 4.550 3.960 -0.143 0.000 0.302 1131 G C -2.062 172.987 174.900 0.247 0.000 1.301 1131 G CA -0.893 44.291 45.100 0.140 0.000 0.965 1131 G HN 0.757 nan 8.290 nan 0.000 0.480 1132 F N 0.618 120.618 119.950 0.084 0.000 2.665 1132 F HA 0.694 5.135 4.527 -0.142 0.000 0.308 1132 F C -2.073 173.831 175.800 0.174 0.000 1.112 1132 F CA -1.123 56.936 58.000 0.099 0.000 0.972 1132 F CB 2.197 41.230 39.000 0.055 0.000 1.295 1132 F HN 0.606 nan 8.300 nan 0.000 0.440 1133 Y N 4.716 124.562 120.300 -0.756 0.000 2.504 1133 Y HA 0.578 5.042 4.550 -0.143 0.000 0.344 1133 Y C -1.769 173.729 175.900 -0.669 0.000 1.023 1133 Y CA -0.971 56.849 58.100 -0.467 0.000 1.020 1133 Y CB 1.700 40.001 38.460 -0.265 0.000 1.282 1133 Y HN 0.637 nan 8.280 nan 0.000 0.454 1134 K N 2.540 122.358 120.400 -0.969 0.000 2.371 1134 K HA 0.626 4.860 4.320 -0.143 0.000 0.251 1134 K C -1.319 174.560 176.600 -1.202 0.000 0.934 1134 K CA -0.940 54.852 56.287 -0.824 0.000 0.798 1134 K CB 1.890 34.238 32.500 -0.253 0.000 1.204 1134 K HN 0.528 nan 8.250 nan 0.000 0.427 1135 T N 4.600 118.679 114.554 -0.791 0.000 2.834 1135 T HA 0.190 4.454 4.350 -0.143 0.000 0.298 1135 T C -2.032 172.452 174.700 -0.360 0.000 0.966 1135 T CA -0.702 61.050 62.100 -0.579 0.000 1.141 1135 T CB 0.351 69.006 68.868 -0.356 0.000 0.905 1135 T HN 0.519 nan 8.240 nan 0.000 0.535 1136 P HA 0.353 nan 4.420 nan 0.000 0.282 1136 P C -0.223 177.063 177.300 -0.023 0.000 1.259 1136 P CA -0.603 62.436 63.100 -0.102 0.000 0.826 1136 P CB 0.597 32.278 31.700 -0.031 0.000 1.064 1137 N N -1.184 117.513 118.700 -0.005 0.000 2.818 1137 N HA -0.121 4.533 4.740 -0.143 0.000 0.250 1137 N C -0.620 174.900 175.510 0.017 0.000 1.108 1137 N CA 0.753 53.817 53.050 0.024 0.000 0.745 1137 N CB -1.995 36.528 38.487 0.060 0.000 1.104 1137 N HN 0.454 nan 8.380 nan 0.000 0.557 1138 L N 0.013 121.228 121.223 -0.013 0.000 2.322 1138 L HA 0.768 5.022 4.340 -0.143 0.000 0.279 1138 L C 0.948 177.799 176.870 -0.031 0.000 1.036 1138 L CA -0.500 54.318 54.840 -0.037 0.000 0.807 1138 L CB 1.930 43.947 42.059 -0.069 0.000 1.226 1138 L HN 0.202 nan 8.230 nan 0.000 0.433 1139 G N 1.754 110.531 108.800 -0.038 0.000 1.873 1139 G HA2 0.067 3.941 3.960 -0.143 0.000 0.199 1139 G HA3 0.067 3.941 3.960 -0.143 0.000 0.199 1139 G C -1.877 173.031 174.900 0.013 0.000 1.821 1139 G CA -0.699 44.395 45.100 -0.010 0.000 0.955 1139 G HN 0.385 nan 8.290 nan 0.000 0.616 1140 Y N 2.590 122.815 120.300 -0.126 0.000 2.334 1140 Y HA 0.757 5.222 4.550 -0.142 0.000 0.328 1140 Y C 0.334 176.203 175.900 -0.052 0.000 1.130 1140 Y CA -0.523 57.496 58.100 -0.134 0.000 1.163 1140 Y CB 2.127 40.432 38.460 -0.259 0.000 1.207 1140 Y HN 0.596 nan 8.280 nan 0.000 0.471 1141 S N 5.422 120.657 115.700 -0.775 0.000 2.433 1141 S HA 0.311 4.695 4.470 -0.143 0.000 0.310 1141 S C 0.279 174.327 174.600 -0.920 0.000 1.097 1141 S CA -0.599 57.269 58.200 -0.554 0.000 1.103 1141 S CB 0.073 63.092 63.200 -0.301 0.000 0.992 1141 S HN 0.720 nan 8.310 nan 0.000 0.469 1142 F N 2.929 122.634 119.950 -0.408 0.000 2.407 1142 F HA 0.068 4.509 4.527 -0.144 0.000 0.299 1142 F C 2.065 177.788 175.800 -0.128 0.000 1.097 1142 F CA 0.789 58.688 58.000 -0.169 0.000 1.422 1142 F CB -0.017 38.985 39.000 0.003 0.000 1.067 1142 F HN 0.547 nan 8.300 nan 0.000 0.539 1143 E N -0.645 119.567 120.200 0.020 0.000 2.072 1143 E HA -0.126 4.139 4.350 -0.143 0.000 0.190 1143 E C 2.197 178.776 176.600 -0.034 0.000 0.982 1143 E CA 1.849 58.253 56.400 0.006 0.000 0.803 1143 E CB -0.674 29.025 29.700 -0.001 0.000 0.755 1143 E HN 0.340 nan 8.360 nan 0.000 0.453 1144 T N -2.626 111.867 114.554 -0.101 0.000 3.054 1144 T HA 0.125 4.390 4.350 -0.143 0.000 0.255 1144 T C 0.492 175.129 174.700 -0.104 0.000 1.035 1144 T CA 0.117 62.166 62.100 -0.086 0.000 0.941 1144 T CB -0.145 68.674 68.868 -0.083 0.000 1.026 1144 T HN 0.007 nan 8.240 nan 0.000 0.533 1145 N N 1.881 120.468 118.700 -0.188 0.000 2.705 1145 N HA -0.186 4.468 4.740 -0.143 0.000 0.255 1145 N C -0.578 174.919 175.510 -0.021 0.000 1.008 1145 N CA 0.863 53.862 53.050 -0.085 0.000 0.742 1145 N CB -1.393 37.144 38.487 0.083 0.000 0.906 1145 N HN 0.961 nan 8.380 nan 0.000 0.541 1146 S N -1.551 114.035 115.700 -0.189 0.000 2.596 1146 S HA 0.877 5.261 4.470 -0.143 0.000 0.270 1146 S C 0.157 174.731 174.600 -0.044 0.000 1.155 1146 S CA 0.030 58.209 58.200 -0.035 0.000 0.827 1146 S CB 1.794 64.967 63.200 -0.045 0.000 1.130 1146 S HN 1.462 nan 8.310 nan 0.000 0.467 1147 G N 1.303 110.131 108.800 0.046 0.000 2.690 1147 G HA2 -0.031 3.844 3.960 -0.143 0.000 0.686 1147 G HA3 -0.031 3.844 3.960 -0.143 0.000 0.686 1147 G C -1.485 173.485 174.900 0.117 0.000 1.277 1147 G CA -0.988 44.139 45.100 0.046 0.000 0.799 1147 G HN 0.884 nan 8.290 nan 0.000 0.613 1148 N N 2.131 120.854 118.700 0.038 0.000 2.422 1148 N HA 0.434 5.088 4.740 -0.143 0.000 0.266 1148 N C -1.095 174.288 175.510 -0.213 0.000 1.007 1148 N CA -1.467 51.569 53.050 -0.023 0.000 0.941 1148 N CB 2.196 40.688 38.487 0.008 0.000 1.115 1148 N HN 0.331 nan 8.380 nan 0.000 0.492 1149 P HA 0.010 nan 4.420 nan 0.000 0.222 1149 P C -0.322 176.353 177.300 -1.041 0.000 1.153 1149 P CA 0.920 63.387 63.100 -1.054 0.000 0.798 1149 P CB 0.357 30.751 31.700 -2.176 0.000 0.796 1150 F N -2.091 117.626 119.950 -0.389 0.000 2.522 1150 F HA 0.356 4.798 4.527 -0.141 0.000 0.324 1150 F C 1.958 177.599 175.800 -0.265 0.000 1.077 1150 F CA -0.980 56.745 58.000 -0.458 0.000 0.944 1150 F CB 1.054 39.536 39.000 -0.864 0.000 1.175 1150 F HN -0.234 nan 8.300 nan 0.000 0.468 1151 H N 1.194 120.177 119.070 -0.146 0.000 2.448 1151 H HA 0.092 4.562 4.556 -0.143 0.000 0.292 1151 H C -0.930 174.449 175.328 0.085 0.000 1.035 1151 H CA 1.164 57.198 56.048 -0.023 0.000 1.349 1151 H CB 0.216 29.997 29.762 0.032 0.000 1.425 1151 H HN 0.541 nan 8.280 nan 0.000 0.539 1152 Y N -4.287 115.919 120.300 -0.157 0.000 2.818 1152 Y HA 0.420 4.884 4.550 -0.144 0.000 0.341 1152 Y C -1.912 173.744 175.900 -0.406 0.000 1.283 1152 Y CA -2.048 55.945 58.100 -0.178 0.000 1.075 1152 Y CB 0.417 38.806 38.460 -0.118 0.000 1.370 1152 Y HN -0.200 nan 8.280 nan 0.000 0.448 1153 F N 0.908 120.899 119.950 0.069 0.000 2.546 1153 F HA 0.692 5.133 4.527 -0.144 0.000 0.320 1153 F C 0.363 175.987 175.800 -0.293 0.000 1.076 1153 F CA -0.906 56.940 58.000 -0.258 0.000 0.928 1153 F CB 2.307 41.040 39.000 -0.445 0.000 1.189 1153 F HN 0.612 nan 8.300 nan 0.000 0.465 1154 S N 1.552 117.175 115.700 -0.128 0.000 2.616 1154 S HA 0.677 5.062 4.470 -0.143 0.000 0.277 1154 S C -1.371 173.005 174.600 -0.373 0.000 1.234 1154 S CA -0.192 57.948 58.200 -0.100 0.000 1.028 1154 S CB 0.390 63.612 63.200 0.036 0.000 0.988 1154 S HN 0.462 nan 8.310 nan 0.000 0.522 1155 Y N 0.723 121.120 120.300 0.162 0.000 2.545 1155 Y HA 0.709 5.172 4.550 -0.144 0.000 0.348 1155 Y C 0.704 176.654 175.900 0.084 0.000 1.002 1155 Y CA -0.641 57.519 58.100 0.100 0.000 1.039 1155 Y CB 2.612 41.065 38.460 -0.012 0.000 1.271 1155 Y HN 0.997 nan 8.280 nan 0.000 0.467 1156 G N 0.218 109.182 108.800 0.273 0.000 2.523 1156 G HA2 0.575 4.449 3.960 -0.143 0.000 0.291 1156 G HA3 0.575 4.449 3.960 -0.143 0.000 0.291 1156 G C -2.438 172.584 174.900 0.204 0.000 1.450 1156 G CA -0.699 44.516 45.100 0.193 0.000 0.790 1156 G HN 0.482 nan 8.290 nan 0.000 0.496 1157 V N -0.371 119.640 119.914 0.161 0.000 2.888 1157 V HA 0.871 4.905 4.120 -0.143 0.000 0.309 1157 V C -0.068 176.083 176.094 0.096 0.000 1.114 1157 V CA -0.281 62.113 62.300 0.156 0.000 0.940 1157 V CB 1.699 33.601 31.823 0.131 0.000 1.021 1157 V HN 1.726 nan 8.190 nan 0.000 0.426 1158 A N 2.404 125.286 122.820 0.102 0.000 2.393 1158 A HA 0.772 5.006 4.320 -0.143 0.000 0.306 1158 A C -0.857 176.754 177.584 0.045 0.000 1.050 1158 A CA -0.459 51.632 52.037 0.089 0.000 0.724 1158 A CB 1.651 20.790 19.000 0.231 0.000 1.248 1158 A HN 1.088 nan 8.150 nan 0.000 0.424 1159 C N 1.965 121.274 119.300 0.014 0.000 2.322 1159 C HA 0.862 5.237 4.460 -0.143 0.000 0.324 1159 C C 0.047 175.088 174.990 0.084 0.000 1.284 1159 C CA -0.005 59.029 59.018 0.027 0.000 1.606 1159 C CB 0.046 27.782 27.740 -0.007 0.000 2.251 1159 C HN 0.846 nan 8.230 nan 0.000 0.502 1160 S N 3.410 119.182 115.700 0.119 0.000 2.549 1160 S HA 0.573 4.957 4.470 -0.143 0.000 0.280 1160 S C -1.343 173.316 174.600 0.097 0.000 1.109 1160 S CA -0.479 57.792 58.200 0.118 0.000 0.905 1160 S CB 1.756 65.062 63.200 0.177 0.000 1.081 1160 S HN 0.887 nan 8.310 nan 0.000 0.477 1161 E N 1.303 121.543 120.200 0.067 0.000 2.238 1161 E HA 0.709 4.973 4.350 -0.143 0.000 0.267 1161 E C -1.259 175.364 176.600 0.039 0.000 0.887 1161 E CA -0.818 55.602 56.400 0.034 0.000 0.769 1161 E CB 1.519 31.220 29.700 0.001 0.000 1.187 1161 E HN 0.503 nan 8.360 nan 0.000 0.416 1162 V N 0.187 120.114 119.914 0.022 0.000 3.130 1162 V HA 0.656 4.690 4.120 -0.143 0.000 0.310 1162 V C -1.039 175.050 176.094 -0.008 0.000 1.158 1162 V CA -0.853 61.482 62.300 0.059 0.000 1.029 1162 V CB 1.874 33.749 31.823 0.087 0.000 1.057 1162 V HN 0.817 nan 8.190 nan 0.000 0.436 1163 E N 2.230 122.447 120.200 0.028 0.000 2.216 1163 E HA 0.596 4.860 4.350 -0.143 0.000 0.260 1163 E C -0.767 175.897 176.600 0.106 0.000 0.880 1163 E CA -0.840 55.541 56.400 -0.032 0.000 0.765 1163 E CB 1.761 31.396 29.700 -0.109 0.000 1.174 1163 E HN 0.949 nan 8.360 nan 0.000 0.417 1164 I N 0.807 121.443 120.570 0.110 0.000 2.499 1164 I HA 0.494 4.578 4.170 -0.143 0.000 0.296 1164 I C -0.236 175.997 176.117 0.193 0.000 0.992 1164 I CA -0.736 60.662 61.300 0.163 0.000 1.297 1164 I CB 1.455 39.515 38.000 0.100 0.000 1.410 1164 I HN 0.381 nan 8.210 nan 0.000 0.507 1165 D N 5.086 125.612 120.400 0.210 0.000 2.380 1165 D HA 0.226 4.780 4.640 -0.143 0.000 0.230 1165 D C 0.521 176.956 176.300 0.225 0.000 1.154 1165 D CA -0.424 53.715 54.000 0.233 0.000 0.859 1165 D CB 1.391 42.326 40.800 0.226 0.000 1.045 1165 D HN 0.739 nan 8.370 nan 0.000 0.495 1166 C N 3.464 122.926 119.300 0.270 0.000 2.456 1166 C HA 0.018 4.392 4.460 -0.143 0.000 0.279 1166 C C 2.509 177.677 174.990 0.295 0.000 1.427 1166 C CA -0.025 59.159 59.018 0.277 0.000 1.778 1166 C CB -0.848 27.101 27.740 0.348 0.000 1.842 1166 C HN 0.659 nan 8.230 nan 0.000 0.531 1167 L N 0.746 122.132 121.223 0.271 0.000 2.375 1167 L HA 0.010 4.264 4.340 -0.143 0.000 0.215 1167 L C 2.499 179.422 176.870 0.089 0.000 1.108 1167 L CA 1.634 56.563 54.840 0.149 0.000 0.830 1167 L CB -0.287 41.807 42.059 0.059 0.000 0.959 1167 L HN 0.524 nan 8.230 nan 0.000 0.457 1168 T N -6.304 108.344 114.554 0.157 0.000 2.966 1168 T HA 0.285 4.549 4.350 -0.143 0.000 0.254 1168 T C 1.436 176.295 174.700 0.264 0.000 0.961 1168 T CA 0.559 62.760 62.100 0.169 0.000 0.915 1168 T CB 1.074 70.069 68.868 0.211 0.000 1.186 1168 T HN 0.246 nan 8.240 nan 0.000 0.505 1169 G N 1.515 110.438 108.800 0.206 0.000 2.176 1169 G HA2 -0.229 3.645 3.960 -0.143 0.000 0.253 1169 G HA3 -0.229 3.645 3.960 -0.143 0.000 0.253 1169 G C -0.164 174.823 174.900 0.145 0.000 0.979 1169 G CA 0.187 45.377 45.100 0.149 0.000 0.641 1169 G HN 0.810 nan 8.290 nan 0.000 0.530 1170 D N 1.192 121.684 120.400 0.153 0.000 2.357 1170 D HA 0.511 5.065 4.640 -0.143 0.000 0.242 1170 D C 0.678 177.091 176.300 0.188 0.000 1.153 1170 D CA 0.532 54.596 54.000 0.107 0.000 0.918 1170 D CB 0.294 41.105 40.800 0.018 0.000 1.181 1170 D HN 0.607 nan 8.370 nan 0.000 0.435 1171 H N -0.715 118.380 119.070 0.041 0.000 3.037 1171 H HA 0.453 4.903 4.556 -0.177 0.000 0.355 1171 H C -1.204 174.187 175.328 0.105 0.000 1.263 1171 H CA -0.967 55.125 56.048 0.073 0.000 1.129 1171 H CB 0.661 30.443 29.762 0.033 0.000 1.861 1171 H HN 0.253 nan 8.280 nan 0.000 0.546 1172 K N 1.463 121.888 120.400 0.042 0.000 2.164 1172 K HA 0.289 4.523 4.320 -0.143 0.000 0.258 1172 K C -0.573 176.069 176.600 0.070 0.000 0.951 1172 K CA -0.704 55.596 56.287 0.021 0.000 0.844 1172 K CB 1.435 34.001 32.500 0.110 0.000 1.099 1172 K HN 0.553 nan 8.250 nan 0.000 0.435 1173 N N 3.235 121.951 118.700 0.026 0.000 2.521 1173 N HA 0.093 4.747 4.740 -0.143 0.000 0.236 1173 N C 0.765 176.304 175.510 0.048 0.000 1.067 1173 N CA -0.172 52.931 53.050 0.088 0.000 0.939 1173 N CB 0.580 39.105 38.487 0.064 0.000 1.201 1173 N HN 0.325 nan 8.380 nan 0.000 0.511 1174 L N 1.342 122.591 121.223 0.043 0.000 2.072 1174 L HA 0.068 4.322 4.340 -0.143 0.000 0.205 1174 L C 1.058 177.940 176.870 0.020 0.000 1.079 1174 L CA 0.871 55.722 54.840 0.018 0.000 0.752 1174 L CB 0.004 42.054 42.059 -0.014 0.000 0.906 1174 L HN 0.485 nan 8.230 nan 0.000 0.436 1175 R N -1.188 119.325 120.500 0.021 0.000 2.604 1175 R HA 0.348 4.603 4.340 -0.143 0.000 0.261 1175 R C -1.664 174.650 176.300 0.024 0.000 1.080 1175 R CA -0.300 55.816 56.100 0.026 0.000 0.917 1175 R CB 1.949 32.266 30.300 0.029 0.000 1.252 1175 R HN -0.247 nan 8.270 nan 0.000 0.456 1176 T N 2.532 117.094 114.554 0.013 0.000 2.921 1176 T HA 0.367 4.631 4.350 -0.143 0.000 0.297 1176 T C -1.755 172.969 174.700 0.040 0.000 1.013 1176 T CA -0.609 61.487 62.100 -0.007 0.000 0.990 1176 T CB 1.603 70.352 68.868 -0.199 0.000 1.023 1176 T HN 0.517 nan 8.240 nan 0.000 0.447 1177 D N 2.053 122.462 120.400 0.015 0.000 2.502 1177 D HA 0.603 5.157 4.640 -0.143 0.000 0.249 1177 D C -0.620 175.669 176.300 -0.020 0.000 1.092 1177 D CA -0.275 53.730 54.000 0.007 0.000 0.839 1177 D CB 1.426 42.227 40.800 0.002 0.000 1.264 1177 D HN 0.350 nan 8.370 nan 0.000 0.511 1178 I N 1.688 122.238 120.570 -0.033 0.000 2.509 1178 I HA 0.465 4.549 4.170 -0.143 0.000 0.293 1178 I C -0.772 175.338 176.117 -0.011 0.000 1.020 1178 I CA -1.099 60.188 61.300 -0.022 0.000 1.088 1178 I CB 2.100 40.071 38.000 -0.049 0.000 1.267 1178 I HN 0.004 nan 8.210 nan 0.000 0.430 1179 V N 6.374 126.296 119.914 0.013 0.000 2.444 1179 V HA 0.483 4.517 4.120 -0.143 0.000 0.294 1179 V C -0.428 175.696 176.094 0.051 0.000 1.022 1179 V CA -0.454 61.858 62.300 0.020 0.000 0.850 1179 V CB 1.687 33.517 31.823 0.012 0.000 0.992 1179 V HN 0.631 nan 8.190 nan 0.000 0.426 1180 M N 4.098 123.727 119.600 0.049 0.000 2.321 1180 M HA 0.509 4.903 4.480 -0.143 0.000 0.315 1180 M C -0.898 175.444 176.300 0.069 0.000 1.052 1180 M CA -0.477 54.864 55.300 0.069 0.000 0.936 1180 M CB 1.738 34.369 32.600 0.052 0.000 1.639 1180 M HN 0.631 nan 8.290 nan 0.000 0.433 1181 D N 3.525 123.985 120.400 0.100 0.000 2.365 1181 D HA 0.267 4.821 4.640 -0.143 0.000 0.237 1181 D C 0.217 176.567 176.300 0.084 0.000 1.190 1181 D CA -0.099 53.962 54.000 0.102 0.000 0.867 1181 D CB 0.718 41.622 40.800 0.173 0.000 1.050 1181 D HN 0.452 nan 8.370 nan 0.000 0.491 1182 V N 2.198 122.143 119.914 0.051 0.000 3.043 1182 V HA 0.557 4.591 4.120 -0.143 0.000 0.357 1182 V C 1.146 177.246 176.094 0.010 0.000 1.372 1182 V CA 0.337 62.656 62.300 0.032 0.000 1.214 1182 V CB -0.379 31.453 31.823 0.014 0.000 1.224 1182 V HN 0.651 nan 8.190 nan 0.000 0.507 1183 G N 1.506 110.311 108.800 0.008 0.000 2.581 1183 G HA2 -0.276 3.598 3.960 -0.143 0.000 0.291 1183 G HA3 -0.276 3.598 3.960 -0.143 0.000 0.291 1183 G C 0.132 175.027 174.900 -0.009 0.000 1.277 1183 G CA 0.153 45.240 45.100 -0.022 0.000 0.959 1183 G HN 1.023 nan 8.290 nan 0.000 0.554 1184 S N 0.507 116.197 115.700 -0.018 0.000 2.494 1184 S HA 0.480 4.864 4.470 -0.143 0.000 0.312 1184 S C 0.661 175.261 174.600 0.001 0.000 1.121 1184 S CA 0.655 58.854 58.200 -0.001 0.000 1.068 1184 S CB 0.886 64.086 63.200 -0.000 0.000 1.141 1184 S HN 1.209 nan 8.310 nan 0.000 0.527 1185 S N 3.286 118.989 115.700 0.005 0.000 2.558 1185 S HA 0.077 4.461 4.470 -0.143 0.000 0.293 1185 S C 1.363 175.955 174.600 -0.012 0.000 1.292 1185 S CA -0.486 57.708 58.200 -0.010 0.000 1.063 1185 S CB 0.070 63.258 63.200 -0.019 0.000 0.831 1185 S HN 0.649 nan 8.310 nan 0.000 0.499 1186 L N 3.378 124.592 121.223 -0.015 0.000 2.201 1186 L HA 0.070 4.324 4.340 -0.143 0.000 0.212 1186 L C 1.175 178.022 176.870 -0.038 0.000 1.105 1186 L CA 0.632 55.466 54.840 -0.010 0.000 0.775 1186 L CB -0.259 41.798 42.059 -0.003 0.000 0.913 1186 L HN 0.650 nan 8.230 nan 0.000 0.440 1187 N N -1.136 117.523 118.700 -0.067 0.000 2.812 1187 N HA 0.101 4.755 4.740 -0.143 0.000 0.262 1187 N C -2.375 173.026 175.510 -0.181 0.000 1.241 1187 N CA -0.939 52.045 53.050 -0.109 0.000 0.854 1187 N CB 1.561 39.990 38.487 -0.097 0.000 1.506 1187 N HN -0.284 nan 8.380 nan 0.000 0.576 1188 P HA -0.013 nan 4.420 nan 0.000 0.221 1188 P C 1.067 178.075 177.300 -0.487 0.000 1.150 1188 P CA 0.731 63.597 63.100 -0.391 0.000 0.800 1188 P CB 0.412 31.734 31.700 -0.631 0.000 0.787 1189 A N 0.302 122.796 122.820 -0.543 0.000 1.873 1189 A HA -0.125 4.109 4.320 -0.143 0.000 0.215 1189 A C 2.318 179.653 177.584 -0.416 0.000 1.186 1189 A CA 1.293 52.939 52.037 -0.651 0.000 0.616 1189 A CB -1.501 16.858 19.000 -1.068 0.000 0.823 1189 A HN 0.099 nan 8.150 nan 0.000 0.442 1190 I N -0.215 120.189 120.570 -0.276 0.000 2.315 1190 I HA -0.203 3.881 4.170 -0.143 0.000 0.248 1190 I C 1.775 177.823 176.117 -0.115 0.000 1.117 1190 I CA 1.301 62.518 61.300 -0.139 0.000 1.404 1190 I CB -0.413 37.537 38.000 -0.084 0.000 1.071 1190 I HN 0.246 nan 8.210 nan 0.000 0.419 1191 D N 1.076 121.394 120.400 -0.136 0.000 2.097 1191 D HA -0.118 4.436 4.640 -0.143 0.000 0.197 1191 D C 2.253 178.498 176.300 -0.092 0.000 0.984 1191 D CA 1.297 55.241 54.000 -0.094 0.000 0.826 1191 D CB -0.216 40.535 40.800 -0.083 0.000 0.973 1191 D HN 0.284 nan 8.370 nan 0.000 0.460 1192 I N 1.055 121.542 120.570 -0.139 0.000 2.264 1192 I HA -0.215 3.869 4.170 -0.143 0.000 0.248 1192 I C 2.476 178.528 176.117 -0.107 0.000 1.111 1192 I CA 1.396 62.619 61.300 -0.129 0.000 1.382 1192 I CB -0.403 37.499 38.000 -0.164 0.000 1.060 1192 I HN 0.034 nan 8.210 nan 0.000 0.418 1193 G N -0.141 108.600 108.800 -0.099 0.000 2.418 1193 G HA2 -0.231 3.644 3.960 -0.143 0.000 0.217 1193 G HA3 -0.231 3.644 3.960 -0.143 0.000 0.217 1193 G C 1.572 176.468 174.900 -0.006 0.000 1.158 1193 G CA 0.371 45.443 45.100 -0.047 0.000 0.771 1193 G HN 0.303 nan 8.290 nan 0.000 0.545 1194 Q N 0.140 119.935 119.800 -0.008 0.000 2.079 1194 Q HA -0.026 4.228 4.340 -0.143 0.000 0.200 1194 Q C 2.981 179.006 176.000 0.041 0.000 0.974 1194 Q CA 0.930 56.747 55.803 0.024 0.000 0.840 1194 Q CB -0.687 28.054 28.738 0.005 0.000 0.898 1194 Q HN 0.416 nan 8.270 nan 0.000 0.430 1195 V N 1.495 121.418 119.914 0.016 0.000 2.295 1195 V HA -0.249 3.786 4.120 -0.143 0.000 0.246 1195 V C 2.143 178.303 176.094 0.111 0.000 1.049 1195 V CA 1.937 64.266 62.300 0.048 0.000 1.024 1195 V CB -0.478 31.345 31.823 -0.000 0.000 0.648 1195 V HN 0.378 nan 8.190 nan 0.000 0.447 1196 E N 0.108 120.332 120.200 0.041 0.000 2.106 1196 E HA -0.128 4.137 4.350 -0.143 0.000 0.192 1196 E C 2.304 179.048 176.600 0.240 0.000 0.984 1196 E CA 1.166 57.640 56.400 0.123 0.000 0.806 1196 E CB -0.452 29.205 29.700 -0.072 0.000 0.750 1196 E HN 0.647 nan 8.360 nan 0.000 0.458 1197 G N 1.026 109.907 108.800 0.134 0.000 2.402 1197 G HA2 -0.200 3.674 3.960 -0.143 0.000 0.216 1197 G HA3 -0.200 3.674 3.960 -0.143 0.000 0.216 1197 G C 1.662 176.639 174.900 0.129 0.000 1.162 1197 G CA 0.751 45.918 45.100 0.111 0.000 0.777 1197 G HN 0.330 nan 8.290 nan 0.000 0.539 1198 A N 0.431 123.339 122.820 0.147 0.000 1.873 1198 A HA 0.114 4.348 4.320 -0.143 0.000 0.215 1198 A C 2.159 179.819 177.584 0.126 0.000 1.186 1198 A CA 1.434 53.542 52.037 0.118 0.000 0.616 1198 A CB -0.587 18.470 19.000 0.095 0.000 0.823 1198 A HN 0.367 nan 8.150 nan 0.000 0.442 1199 F N 0.732 120.731 119.950 0.082 0.000 2.126 1199 F HA -0.185 4.248 4.527 -0.156 0.000 0.299 1199 F C 2.190 178.030 175.800 0.066 0.000 1.096 1199 F CA 2.108 60.171 58.000 0.104 0.000 1.255 1199 F CB -0.126 39.003 39.000 0.215 0.000 0.997 1199 F HN 0.035 nan 8.300 nan 0.000 0.479 1200 V N 0.111 120.183 119.914 0.263 0.000 2.548 1200 V HA -0.270 3.764 4.120 -0.143 0.000 0.249 1200 V C 2.229 178.284 176.094 -0.065 0.000 1.055 1200 V CA 1.924 64.291 62.300 0.112 0.000 1.065 1200 V CB -0.685 31.253 31.823 0.192 0.000 0.681 1200 V HN 0.395 nan 8.190 nan 0.000 0.462 1201 Q N -0.040 119.713 119.800 -0.078 0.000 2.170 1201 Q HA -0.130 4.125 4.340 -0.143 0.000 0.203 1201 Q C 2.318 178.145 176.000 -0.288 0.000 0.976 1201 Q CA 1.560 57.271 55.803 -0.153 0.000 0.858 1201 Q CB -0.347 28.328 28.738 -0.106 0.000 0.907 1201 Q HN 0.730 nan 8.270 nan 0.000 0.433 1202 G N 0.935 109.539 108.800 -0.327 0.000 2.408 1202 G HA2 -0.189 3.685 3.960 -0.143 0.000 0.215 1202 G HA3 -0.189 3.685 3.960 -0.143 0.000 0.215 1202 G C 1.374 175.974 174.900 -0.500 0.000 1.156 1202 G CA 0.081 44.865 45.100 -0.525 0.000 0.793 1202 G HN 0.294 nan 8.290 nan 0.000 0.535 1203 L N 0.813 121.786 121.223 -0.416 0.000 2.042 1203 L HA 0.008 4.262 4.340 -0.143 0.000 0.210 1203 L C 2.759 179.522 176.870 -0.179 0.000 1.076 1203 L CA 1.937 56.620 54.840 -0.262 0.000 0.749 1203 L CB -0.494 41.431 42.059 -0.222 0.000 0.893 1203 L HN 0.241 nan 8.230 nan 0.000 0.432 1204 G N -0.007 108.665 108.800 -0.214 0.000 2.404 1204 G HA2 -0.306 3.568 3.960 -0.143 0.000 0.215 1204 G HA3 -0.306 3.568 3.960 -0.143 0.000 0.215 1204 G C 1.488 176.229 174.900 -0.266 0.000 1.174 1204 G CA 0.832 45.808 45.100 -0.206 0.000 0.780 1204 G HN 0.382 nan 8.290 nan 0.000 0.537 1205 L N -0.438 120.528 121.223 -0.428 0.000 2.042 1205 L HA 0.088 4.342 4.340 -0.143 0.000 0.210 1205 L C 2.140 178.756 176.870 -0.423 0.000 1.076 1205 L CA 1.707 56.210 54.840 -0.562 0.000 0.749 1205 L CB -0.473 41.000 42.059 -0.977 0.000 0.893 1205 L HN 0.180 nan 8.230 nan 0.000 0.432 1206 F N -1.318 118.529 119.950 -0.171 0.000 2.754 1206 F HA 0.158 4.597 4.527 -0.147 0.000 0.297 1206 F C 2.059 177.865 175.800 0.010 0.000 1.122 1206 F CA 0.817 58.743 58.000 -0.124 0.000 1.400 1206 F CB -0.776 38.113 39.000 -0.184 0.000 1.117 1206 F HN 0.309 nan 8.300 nan 0.000 0.587 1207 T N -5.279 109.346 114.554 0.118 0.000 2.993 1207 T HA 0.260 4.524 4.350 -0.143 0.000 0.260 1207 T C 1.244 175.962 174.700 0.029 0.000 0.939 1207 T CA 0.135 62.288 62.100 0.088 0.000 0.886 1207 T CB 0.035 68.963 68.868 0.100 0.000 1.209 1207 T HN 0.140 nan 8.240 nan 0.000 0.518 1208 M N 0.136 119.709 119.600 -0.045 0.000 2.195 1208 M HA 0.406 4.800 4.480 -0.143 0.000 0.243 1208 M C -0.267 175.926 176.300 -0.179 0.000 1.313 1208 M CA 0.051 55.296 55.300 -0.092 0.000 1.077 1208 M CB 1.197 33.721 32.600 -0.126 0.000 1.664 1208 M HN 0.062 nan 8.290 nan 0.000 0.584 1209 E N 2.312 122.370 120.200 -0.236 0.000 2.194 1209 E HA 0.252 4.517 4.350 -0.143 0.000 0.284 1209 E C -0.665 175.843 176.600 -0.154 0.000 1.035 1209 E CA 0.065 56.220 56.400 -0.409 0.000 0.836 1209 E CB 1.145 30.609 29.700 -0.393 0.000 1.070 1209 E HN 0.121 nan 8.360 nan 0.000 0.401 1210 E N 3.610 123.749 120.200 -0.102 0.000 2.308 1210 E HA 0.343 4.607 4.350 -0.143 0.000 0.275 1210 E C -1.565 175.041 176.600 0.009 0.000 0.890 1210 E CA -0.587 55.795 56.400 -0.031 0.000 0.754 1210 E CB 1.209 30.849 29.700 -0.100 0.000 1.207 1210 E HN 0.346 nan 8.360 nan 0.000 0.426 1211 L N 3.710 124.924 121.223 -0.015 0.000 2.322 1211 L HA 0.505 4.759 4.340 -0.143 0.000 0.281 1211 L C -0.712 176.009 176.870 -0.248 0.000 1.014 1211 L CA -0.686 54.099 54.840 -0.092 0.000 0.815 1211 L CB 1.444 43.506 42.059 0.006 0.000 1.247 1211 L HN 0.614 nan 8.230 nan 0.000 0.421 1212 H N 1.722 120.770 119.070 -0.036 0.000 2.492 1212 H HA 0.551 5.020 4.556 -0.144 0.000 0.345 1212 H C -1.405 173.730 175.328 -0.323 0.000 1.136 1212 H CA -0.399 55.661 56.048 0.019 0.000 1.202 1212 H CB 1.626 31.483 29.762 0.158 0.000 1.524 1212 H HN 0.322 nan 8.280 nan 0.000 0.506 1213 Y N 0.228 120.532 120.300 0.007 0.000 2.462 1213 Y HA 0.243 4.707 4.550 -0.144 0.000 0.346 1213 Y C 0.317 175.977 175.900 -0.401 0.000 0.976 1213 Y CA -1.071 56.873 58.100 -0.259 0.000 1.044 1213 Y CB 1.842 40.219 38.460 -0.139 0.000 1.230 1213 Y HN 0.700 nan 8.280 nan 0.000 0.455 1214 S N 2.002 117.340 115.700 -0.604 0.000 2.580 1214 S HA 0.109 4.494 4.470 -0.143 0.000 0.266 1214 S C -2.018 172.517 174.600 -0.109 0.000 1.354 1214 S CA -0.844 57.159 58.200 -0.328 0.000 1.008 1214 S CB 0.903 63.885 63.200 -0.364 0.000 0.898 1214 S HN 0.486 nan 8.310 nan 0.000 0.555 1215 P HA -0.004 nan 4.420 nan 0.000 0.222 1215 P C 0.414 177.690 177.300 -0.040 0.000 1.147 1215 P CA 1.017 64.100 63.100 -0.030 0.000 0.790 1215 P CB -0.092 31.603 31.700 -0.008 0.000 0.780 1216 E N -1.369 118.800 120.200 -0.052 0.000 2.476 1216 E HA 0.279 4.543 4.350 -0.143 0.000 0.191 1216 E C 1.357 177.926 176.600 -0.052 0.000 1.064 1216 E CA 0.538 56.908 56.400 -0.049 0.000 0.866 1216 E CB -0.830 28.840 29.700 -0.050 0.000 0.952 1216 E HN 0.149 nan 8.360 nan 0.000 0.492 1217 G N 0.571 109.340 108.800 -0.052 0.000 2.132 1217 G HA2 -0.282 3.592 3.960 -0.143 0.000 0.234 1217 G HA3 -0.282 3.592 3.960 -0.143 0.000 0.234 1217 G C 0.309 175.228 174.900 0.032 0.000 0.989 1217 G CA 0.344 45.432 45.100 -0.020 0.000 0.676 1217 G HN 0.299 nan 8.290 nan 0.000 0.522 1218 S N -0.131 115.535 115.700 -0.057 0.000 2.475 1218 S HA 0.609 4.993 4.470 -0.143 0.000 0.281 1218 S C 0.466 174.942 174.600 -0.207 0.000 1.198 1218 S CA -0.590 57.552 58.200 -0.096 0.000 1.063 1218 S CB 0.835 63.940 63.200 -0.158 0.000 0.972 1218 S HN 1.275 nan 8.310 nan 0.000 0.486 1219 L N 6.725 127.877 121.223 -0.119 0.000 2.513 1219 L HA 0.229 4.483 4.340 -0.143 0.000 0.272 1219 L C 1.080 177.756 176.870 -0.322 0.000 1.187 1219 L CA 0.788 55.380 54.840 -0.415 0.000 0.895 1219 L CB 0.212 42.129 42.059 -0.237 0.000 1.147 1219 L HN 0.804 nan 8.230 nan 0.000 0.483 1220 H N 2.061 120.962 119.070 -0.282 0.000 2.465 1220 H HA 0.135 4.605 4.556 -0.143 0.000 0.289 1220 H C 0.040 175.374 175.328 0.011 0.000 1.022 1220 H CA 0.716 56.697 56.048 -0.112 0.000 1.340 1220 H CB 0.145 29.810 29.762 -0.162 0.000 1.437 1220 H HN 0.577 nan 8.280 nan 0.000 0.539 1221 T N 2.587 117.192 114.554 0.084 0.000 2.747 1221 T HA 0.316 4.580 4.350 -0.143 0.000 0.301 1221 T C 1.071 175.806 174.700 0.059 0.000 0.952 1221 T CA -0.272 61.907 62.100 0.132 0.000 0.983 1221 T CB 0.757 69.700 68.868 0.125 0.000 0.930 1221 T HN 0.272 nan 8.240 nan 0.000 0.494 1222 R N 1.721 122.283 120.500 0.104 0.000 2.590 1222 R HA 0.406 4.660 4.340 -0.143 0.000 0.410 1222 R C 0.627 177.005 176.300 0.130 0.000 1.010 1222 R CA -0.518 55.636 56.100 0.090 0.000 1.155 1222 R CB 1.350 31.709 30.300 0.099 0.000 1.455 1222 R HN 0.708 nan 8.270 nan 0.000 0.567 1223 G N 0.458 109.364 108.800 0.177 0.000 2.559 1223 G HA2 0.187 4.061 3.960 -0.143 0.000 0.291 1223 G HA3 0.187 4.061 3.960 -0.143 0.000 0.291 1223 G C -2.631 172.448 174.900 0.298 0.000 1.424 1223 G CA -0.767 44.476 45.100 0.239 0.000 0.786 1223 G HN -0.308 nan 8.290 nan 0.000 0.485 1224 P HA -0.079 nan 4.420 nan 0.000 0.225 1224 P C 1.865 179.214 177.300 0.081 0.000 1.148 1224 P CA 1.687 64.880 63.100 0.154 0.000 0.779 1224 P CB 0.158 31.954 31.700 0.160 0.000 0.780 1225 S N -0.191 115.552 115.700 0.072 0.000 2.399 1225 S HA -0.128 4.256 4.470 -0.143 0.000 0.231 1225 S C 1.830 176.459 174.600 0.047 0.000 1.022 1225 S CA 2.028 60.247 58.200 0.031 0.000 0.983 1225 S CB -1.746 61.449 63.200 -0.009 0.000 0.803 1225 S HN 0.375 nan 8.310 nan 0.000 0.480 1226 T N -3.836 110.778 114.554 0.101 0.000 2.978 1226 T HA 0.253 4.518 4.350 -0.143 0.000 0.248 1226 T C 0.143 174.951 174.700 0.180 0.000 1.018 1226 T CA -0.338 61.848 62.100 0.143 0.000 1.026 1226 T CB -0.441 68.542 68.868 0.193 0.000 1.032 1226 T HN 0.337 nan 8.240 nan 0.000 0.485 1227 Y N 3.201 123.522 120.300 0.035 0.000 2.454 1227 Y HA 0.530 4.996 4.550 -0.139 0.000 0.345 1227 Y C -0.776 175.064 175.900 -0.100 0.000 0.970 1227 Y CA -1.483 56.615 58.100 -0.003 0.000 1.204 1227 Y CB 0.611 39.096 38.460 0.042 0.000 1.122 1227 Y HN -0.162 nan 8.280 nan 0.000 0.514 1228 K N 8.856 128.946 120.400 -0.517 0.000 2.347 1228 K HA 0.286 4.520 4.320 -0.143 0.000 0.262 1228 K C -0.223 176.088 176.600 -0.482 0.000 1.052 1228 K CA -0.373 55.694 56.287 -0.366 0.000 0.946 1228 K CB 0.352 32.726 32.500 -0.210 0.000 1.220 1228 K HN 0.812 nan 8.250 nan 0.000 0.450 1229 I N -0.612 119.691 120.570 -0.444 0.000 3.021 1229 I HA 0.425 4.509 4.170 -0.143 0.000 0.303 1229 I C -2.133 173.892 176.117 -0.154 0.000 1.044 1229 I CA -2.582 58.526 61.300 -0.320 0.000 1.266 1229 I CB 0.294 38.126 38.000 -0.280 0.000 1.447 1229 I HN 0.148 nan 8.210 nan 0.000 0.593 1230 P HA 0.131 nan 4.420 nan 0.000 0.266 1230 P C -0.889 176.484 177.300 0.121 0.000 1.195 1230 P CA 0.119 63.237 63.100 0.030 0.000 0.768 1230 P CB 0.700 32.459 31.700 0.099 0.000 0.838 1231 A N 2.016 124.815 122.820 -0.034 0.000 2.313 1231 A HA 0.478 4.713 4.320 -0.143 0.000 0.323 1231 A C 0.687 177.848 177.584 -0.704 0.000 1.133 1231 A CA -0.494 51.425 52.037 -0.196 0.000 0.847 1231 A CB -0.009 18.966 19.000 -0.041 0.000 1.308 1231 A HN 0.441 nan 8.150 nan 0.000 0.475 1232 F N 0.742 120.081 119.950 -1.018 0.000 2.115 1232 F HA -0.144 4.295 4.527 -0.146 0.000 0.300 1232 F C 2.463 178.090 175.800 -0.289 0.000 1.092 1232 F CA 2.563 60.042 58.000 -0.868 0.000 1.245 1232 F CB -0.196 38.629 39.000 -0.291 0.000 0.995 1232 F HN 0.648 nan 8.300 nan 0.000 0.481 1233 G N -2.057 106.773 108.800 0.049 0.000 2.848 1233 G HA2 -0.051 3.824 3.960 -0.143 0.000 0.208 1233 G HA3 -0.051 3.824 3.960 -0.143 0.000 0.208 1233 G C 1.451 176.375 174.900 0.039 0.000 1.152 1233 G CA 0.653 45.814 45.100 0.101 0.000 0.789 1233 G HN 0.317 nan 8.290 nan 0.000 0.531 1234 S N -0.007 115.677 115.700 -0.027 0.000 2.503 1234 S HA 0.194 4.578 4.470 -0.143 0.000 0.217 1234 S C 1.148 175.745 174.600 -0.004 0.000 0.999 1234 S CA -0.344 57.835 58.200 -0.034 0.000 0.914 1234 S CB -0.035 63.144 63.200 -0.036 0.000 0.782 1234 S HN 0.595 nan 8.310 nan 0.000 0.520 1235 I N 0.014 120.600 120.570 0.026 0.000 2.886 1235 I HA 0.423 4.507 4.170 -0.143 0.000 0.299 1235 I C -2.908 173.166 176.117 -0.072 0.000 1.044 1235 I CA -2.813 58.482 61.300 -0.008 0.000 1.310 1235 I CB -0.182 37.870 38.000 0.087 0.000 1.441 1235 I HN -0.230 nan 8.210 nan 0.000 0.578 1236 P HA 0.108 nan 4.420 nan 0.000 0.262 1236 P C 0.513 177.791 177.300 -0.037 0.000 1.182 1236 P CA 0.298 63.290 63.100 -0.181 0.000 0.761 1236 P CB 0.533 31.990 31.700 -0.405 0.000 0.795 1237 I N 1.059 121.649 120.570 0.033 0.000 2.252 1237 I HA -0.144 3.940 4.170 -0.143 0.000 0.245 1237 I C 1.064 177.249 176.117 0.113 0.000 1.102 1237 I CA 1.480 62.831 61.300 0.085 0.000 1.385 1237 I CB -0.213 37.830 38.000 0.071 0.000 1.064 1237 I HN 0.363 nan 8.210 nan 0.000 0.414 1238 E N 1.273 121.530 120.200 0.096 0.000 2.109 1238 E HA 0.242 4.506 4.350 -0.143 0.000 0.278 1238 E C -1.260 175.453 176.600 0.188 0.000 0.954 1238 E CA -0.425 56.049 56.400 0.123 0.000 0.779 1238 E CB 1.604 31.352 29.700 0.080 0.000 1.093 1238 E HN -0.046 nan 8.360 nan 0.000 0.401 1239 F N 4.306 124.265 119.950 0.015 0.000 2.496 1239 F HA 0.383 4.833 4.527 -0.129 0.000 0.341 1239 F C -0.762 175.019 175.800 -0.032 0.000 1.134 1239 F CA -1.185 56.799 58.000 -0.027 0.000 0.968 1239 F CB 0.727 39.727 39.000 -0.000 0.000 1.205 1239 F HN 0.295 nan 8.300 nan 0.000 0.436 1240 R N 4.880 125.474 120.500 0.157 0.000 2.494 1240 R HA 0.748 5.003 4.340 -0.143 0.000 0.305 1240 R C -1.587 174.665 176.300 -0.081 0.000 0.959 1240 R CA -1.041 55.058 56.100 -0.002 0.000 0.864 1240 R CB 2.759 33.072 30.300 0.022 0.000 1.159 1240 R HN 0.334 nan 8.270 nan 0.000 0.446 1241 V N 1.854 121.686 119.914 -0.136 0.000 2.531 1241 V HA 0.375 4.410 4.120 -0.143 0.000 0.301 1241 V C -0.539 175.523 176.094 -0.054 0.000 1.034 1241 V CA -0.657 61.563 62.300 -0.133 0.000 0.865 1241 V CB 2.147 33.830 31.823 -0.232 0.000 0.995 1241 V HN 0.774 nan 8.190 nan 0.000 0.424 1242 S N 5.332 121.018 115.700 -0.024 0.000 2.532 1242 S HA 0.678 5.062 4.470 -0.143 0.000 0.299 1242 S C -0.581 174.032 174.600 0.022 0.000 1.105 1242 S CA -0.600 57.606 58.200 0.009 0.000 1.018 1242 S CB 1.437 64.638 63.200 0.001 0.000 1.021 1242 S HN 0.539 nan 8.310 nan 0.000 0.483 1243 L N 3.177 124.431 121.223 0.051 0.000 2.290 1243 L HA 0.384 4.638 4.340 -0.143 0.000 0.284 1243 L C -0.003 176.894 176.870 0.045 0.000 1.078 1243 L CA -0.877 53.995 54.840 0.052 0.000 0.815 1243 L CB 0.388 42.491 42.059 0.073 0.000 1.162 1243 L HN 0.492 nan 8.230 nan 0.000 0.435 1244 L N 4.728 125.973 121.223 0.037 0.000 2.578 1244 L HA 0.013 4.267 4.340 -0.143 0.000 0.279 1244 L C 0.511 177.396 176.870 0.025 0.000 1.227 1244 L CA 0.782 55.639 54.840 0.028 0.000 0.900 1244 L CB 0.087 42.165 42.059 0.032 0.000 1.144 1244 L HN 0.510 nan 8.230 nan 0.000 0.496 1245 R N 3.872 124.380 120.500 0.012 0.000 2.500 1245 R HA 0.229 4.483 4.340 -0.143 0.000 0.275 1245 R C -0.322 175.980 176.300 0.004 0.000 1.051 1245 R CA -0.590 55.514 56.100 0.007 0.000 1.088 1245 R CB 0.418 30.714 30.300 -0.007 0.000 1.063 1245 R HN 0.711 nan 8.270 nan 0.000 0.511 1246 D N 0.572 120.974 120.400 0.003 0.000 2.737 1246 D HA -0.135 4.419 4.640 -0.143 0.000 0.238 1246 D C -0.447 175.854 176.300 0.002 0.000 1.157 1246 D CA 0.987 54.986 54.000 -0.000 0.000 0.694 1246 D CB -1.094 39.704 40.800 -0.003 0.000 1.021 1246 D HN 0.739 nan 8.370 nan 0.000 0.420 1247 C N -1.523 117.779 119.300 0.004 0.000 3.370 1247 C HA 0.386 4.760 4.460 -0.143 0.000 0.190 1247 C C -2.264 172.722 174.990 -0.006 0.000 1.647 1247 C CA -1.682 57.340 59.018 0.005 0.000 1.277 1247 C CB 0.426 28.175 27.740 0.016 0.000 2.037 1247 C HN 0.107 nan 8.230 nan 0.000 0.537 1248 P HA 0.125 nan 4.420 nan 0.000 0.268 1248 P C -0.578 176.690 177.300 -0.054 0.000 1.205 1248 P CA 0.696 63.778 63.100 -0.029 0.000 0.771 1248 P CB 0.755 32.444 31.700 -0.019 0.000 0.858 1249 N N 2.860 121.499 118.700 -0.101 0.000 2.706 1249 N HA 0.061 4.716 4.740 -0.143 0.000 0.240 1249 N C 1.016 176.422 175.510 -0.174 0.000 1.039 1249 N CA -0.570 52.373 53.050 -0.178 0.000 0.888 1249 N CB 0.508 38.795 38.487 -0.334 0.000 1.128 1249 N HN 0.060 nan 8.380 nan 0.000 0.512 1250 K N 3.483 123.815 120.400 -0.114 0.000 2.288 1250 K HA -0.118 4.116 4.320 -0.143 0.000 0.201 1250 K C 1.343 177.888 176.600 -0.091 0.000 1.048 1250 K CA 1.121 57.357 56.287 -0.085 0.000 0.956 1250 K CB -0.422 32.051 32.500 -0.045 0.000 0.746 1250 K HN 0.650 nan 8.250 nan 0.000 0.461 1251 R N 0.232 120.668 120.500 -0.107 0.000 2.280 1251 R HA 0.206 4.460 4.340 -0.143 0.000 0.207 1251 R C 0.393 176.715 176.300 0.037 0.000 1.043 1251 R CA 0.671 56.751 56.100 -0.033 0.000 1.006 1251 R CB -0.156 30.064 30.300 -0.134 0.000 0.885 1251 R HN 0.152 nan 8.270 nan 0.000 0.467 1252 A N 1.350 124.098 122.820 -0.121 0.000 2.313 1252 A HA 0.468 4.703 4.320 -0.143 0.000 0.323 1252 A C -0.509 176.955 177.584 -0.200 0.000 1.133 1252 A CA -0.978 51.001 52.037 -0.097 0.000 0.847 1252 A CB 0.731 19.671 19.000 -0.100 0.000 1.308 1252 A HN 0.233 nan 8.150 nan 0.000 0.475 1253 I N 0.645 121.057 120.570 -0.264 0.000 2.828 1253 I HA 0.122 4.206 4.170 -0.143 0.000 0.292 1253 I C -0.339 175.628 176.117 -0.249 0.000 1.206 1253 I CA 0.836 61.895 61.300 -0.401 0.000 1.420 1253 I CB -1.104 36.653 38.000 -0.406 0.000 1.368 1253 I HN 0.570 nan 8.210 nan 0.000 0.556 1254 Y N 5.495 125.685 120.300 -0.184 0.000 3.396 1254 Y HA -0.248 4.216 4.550 -0.143 0.000 0.214 1254 Y C 1.376 177.212 175.900 -0.107 0.000 1.203 1254 Y CA 0.915 58.939 58.100 -0.126 0.000 1.401 1254 Y CB -2.204 36.202 38.460 -0.090 0.000 1.409 1254 Y HN 1.018 nan 8.280 nan 0.000 0.594 1255 A N -1.760 121.050 122.820 -0.016 0.000 2.952 1255 A HA -0.176 4.058 4.320 -0.143 0.000 0.252 1255 A C 1.096 178.633 177.584 -0.078 0.000 1.323 1255 A CA 1.040 53.042 52.037 -0.058 0.000 0.957 1255 A CB -1.923 17.066 19.000 -0.019 0.000 1.130 1255 A HN 1.560 nan 8.150 nan 0.000 0.799 1256 S N -0.810 114.846 115.700 -0.073 0.000 2.655 1256 S HA 0.724 5.108 4.470 -0.143 0.000 0.265 1256 S C -0.038 174.478 174.600 -0.140 0.000 1.240 1256 S CA -0.026 58.131 58.200 -0.071 0.000 0.986 1256 S CB 1.262 64.442 63.200 -0.033 0.000 0.985 1256 S HN 0.551 nan 8.310 nan 0.000 0.562 1257 K N -0.120 120.232 120.400 -0.080 0.000 2.385 1257 K HA 0.664 4.898 4.320 -0.143 0.000 0.248 1257 K C -0.396 176.261 176.600 0.094 0.000 0.955 1257 K CA -0.903 55.376 56.287 -0.014 0.000 0.816 1257 K CB 2.082 34.606 32.500 0.040 0.000 1.250 1257 K HN 0.825 nan 8.250 nan 0.000 0.434 1258 A N 0.875 123.827 122.820 0.220 0.000 2.466 1258 A HA 0.143 4.377 4.320 -0.143 0.000 0.238 1258 A C 0.585 178.189 177.584 0.033 0.000 1.074 1258 A CA -0.021 52.073 52.037 0.095 0.000 0.774 1258 A CB 0.548 19.591 19.000 0.072 0.000 1.015 1258 A HN 0.535 nan 8.150 nan 0.000 0.498 1259 V N 1.839 121.738 119.914 -0.024 0.000 3.380 1259 V HA 0.229 4.263 4.120 -0.143 0.000 0.277 1259 V C 1.675 177.720 176.094 -0.081 0.000 1.590 1259 V CA 1.348 63.621 62.300 -0.044 0.000 1.019 1259 V CB -0.076 31.732 31.823 -0.024 0.000 0.828 1259 V HN 1.110 nan 8.190 nan 0.000 0.427 1260 G N 0.060 108.807 108.800 -0.088 0.000 2.418 1260 G HA2 -0.190 3.684 3.960 -0.143 0.000 0.217 1260 G HA3 -0.190 3.684 3.960 -0.143 0.000 0.217 1260 G C 1.220 176.058 174.900 -0.102 0.000 1.158 1260 G CA 1.355 46.417 45.100 -0.063 0.000 0.771 1260 G HN 0.594 nan 8.290 nan 0.000 0.545 1261 E N 0.120 120.163 120.200 -0.261 0.000 2.201 1261 E HA 0.016 4.281 4.350 -0.143 0.000 0.193 1261 E C -0.334 175.878 176.600 -0.647 0.000 0.957 1261 E CA -0.073 56.078 56.400 -0.415 0.000 0.858 1261 E CB 0.100 29.439 29.700 -0.602 0.000 0.816 1261 E HN 0.281 nan 8.360 nan 0.000 0.475 1262 P HA -0.116 nan 4.420 nan 0.000 0.217 1262 P C -1.740 175.482 177.300 -0.129 0.000 1.148 1262 P CA 1.512 64.265 63.100 -0.578 0.000 0.828 1262 P CB -0.715 30.805 31.700 -0.298 0.000 0.783 1263 P HA -0.046 nan 4.420 nan 0.000 0.229 1263 P C 1.563 178.957 177.300 0.157 0.000 1.160 1263 P CA 0.635 63.801 63.100 0.110 0.000 0.777 1263 P CB -0.368 31.409 31.700 0.128 0.000 0.814 1264 L N -1.413 119.852 121.223 0.070 0.000 2.046 1264 L HA -0.149 4.105 4.340 -0.143 0.000 0.208 1264 L C 2.155 179.086 176.870 0.101 0.000 1.077 1264 L CA 1.555 56.422 54.840 0.045 0.000 0.747 1264 L CB -0.688 41.366 42.059 -0.009 0.000 0.896 1264 L HN -0.107 nan 8.230 nan 0.000 0.432 1265 F N 0.202 120.210 119.950 0.097 0.000 2.333 1265 F HA -0.179 4.267 4.527 -0.134 0.000 0.300 1265 F C 1.871 177.807 175.800 0.227 0.000 1.083 1265 F CA 1.224 59.359 58.000 0.224 0.000 1.395 1265 F CB -0.293 38.821 39.000 0.191 0.000 1.056 1265 F HN 0.020 nan 8.300 nan 0.000 0.529 1266 L N -0.137 121.124 121.223 0.063 0.000 2.353 1266 L HA -0.177 4.077 4.340 -0.143 0.000 0.220 1266 L C 2.589 179.467 176.870 0.012 0.000 1.133 1266 L CA 0.850 55.736 54.840 0.077 0.000 0.798 1266 L CB -1.064 41.196 42.059 0.336 0.000 0.922 1266 L HN 0.239 nan 8.230 nan 0.000 0.445 1267 A N 0.002 122.640 122.820 -0.304 0.000 2.172 1267 A HA -0.150 4.085 4.320 -0.143 0.000 0.216 1267 A C 2.433 179.897 177.584 -0.200 0.000 1.154 1267 A CA 1.331 52.983 52.037 -0.641 0.000 0.701 1267 A CB -0.471 18.041 19.000 -0.814 0.000 0.789 1267 A HN 0.531 nan 8.150 nan 0.000 0.465 1268 S N 0.805 116.269 115.700 -0.393 0.000 2.465 1268 S HA -0.201 4.183 4.470 -0.143 0.000 0.241 1268 S C 1.955 176.486 174.600 -0.116 0.000 1.000 1268 S CA 1.569 59.379 58.200 -0.650 0.000 0.964 1268 S CB -0.954 61.586 63.200 -1.099 0.000 0.763 1268 S HN 0.912 nan 8.310 nan 0.000 0.512 1269 S N 2.467 118.160 115.700 -0.011 0.000 2.383 1269 S HA -0.064 4.320 4.470 -0.143 0.000 0.229 1269 S C 1.774 176.454 174.600 0.133 0.000 1.030 1269 S CA 1.192 59.477 58.200 0.142 0.000 1.002 1269 S CB -0.912 62.394 63.200 0.177 0.000 0.829 1269 S HN 0.600 nan 8.310 nan 0.000 0.467 1270 I N 0.418 121.043 120.570 0.092 0.000 2.202 1270 I HA -0.081 4.004 4.170 -0.143 0.000 0.242 1270 I C 2.364 178.462 176.117 -0.032 0.000 1.091 1270 I CA 1.582 62.916 61.300 0.058 0.000 1.368 1270 I CB -0.447 37.596 38.000 0.072 0.000 1.058 1270 I HN 0.255 nan 8.210 nan 0.000 0.410 1271 F N 1.506 121.302 119.950 -0.256 0.000 2.095 1271 F HA -0.293 4.151 4.527 -0.138 0.000 0.298 1271 F C 2.060 177.567 175.800 -0.488 0.000 1.104 1271 F CA 1.837 59.572 58.000 -0.442 0.000 1.232 1271 F CB -0.306 38.251 39.000 -0.739 0.000 0.987 1271 F HN -0.100 nan 8.300 nan 0.000 0.475 1272 F N 0.171 120.146 119.950 0.043 0.000 2.325 1272 F HA 0.060 4.499 4.527 -0.148 0.000 0.299 1272 F C 2.464 178.225 175.800 -0.066 0.000 1.090 1272 F CA 0.807 58.787 58.000 -0.033 0.000 1.392 1272 F CB -1.365 37.650 39.000 0.025 0.000 1.053 1272 F HN 0.056 nan 8.300 nan 0.000 0.521 1273 A N 0.403 123.271 122.820 0.079 0.000 1.898 1273 A HA -0.121 4.113 4.320 -0.143 0.000 0.216 1273 A C 2.252 179.812 177.584 -0.040 0.000 1.181 1273 A CA 1.402 53.463 52.037 0.040 0.000 0.620 1273 A CB -1.009 18.019 19.000 0.046 0.000 0.819 1273 A HN 0.357 nan 8.150 nan 0.000 0.442 1274 I N -0.601 119.879 120.570 -0.151 0.000 2.179 1274 I HA -0.280 3.805 4.170 -0.143 0.000 0.242 1274 I C 2.560 178.576 176.117 -0.168 0.000 1.088 1274 I CA 1.920 63.082 61.300 -0.228 0.000 1.357 1274 I CB -0.190 37.573 38.000 -0.395 0.000 1.051 1274 I HN 0.354 nan 8.210 nan 0.000 0.409 1275 K N 0.661 120.932 120.400 -0.215 0.000 2.097 1275 K HA -0.269 3.965 4.320 -0.143 0.000 0.206 1275 K C 1.813 178.490 176.600 0.129 0.000 1.049 1275 K CA 2.035 58.297 56.287 -0.041 0.000 0.933 1275 K CB -0.105 32.320 32.500 -0.124 0.000 0.717 1275 K HN 0.190 nan 8.250 nan 0.000 0.442 1276 D N 0.007 120.453 120.400 0.077 0.000 2.097 1276 D HA -0.135 4.419 4.640 -0.143 0.000 0.195 1276 D C 1.657 177.993 176.300 0.061 0.000 0.989 1276 D CA 1.568 55.620 54.000 0.086 0.000 0.827 1276 D CB -0.072 40.771 40.800 0.072 0.000 0.966 1276 D HN 0.307 nan 8.370 nan 0.000 0.456 1277 A N 0.118 122.951 122.820 0.022 0.000 1.902 1277 A HA -0.093 4.141 4.320 -0.143 0.000 0.217 1277 A C 2.486 180.063 177.584 -0.011 0.000 1.181 1277 A CA 1.225 53.267 52.037 0.008 0.000 0.623 1277 A CB -0.811 18.186 19.000 -0.006 0.000 0.818 1277 A HN 0.380 nan 8.150 nan 0.000 0.443 1278 I N -0.913 119.638 120.570 -0.033 0.000 2.208 1278 I HA -0.276 3.808 4.170 -0.143 0.000 0.245 1278 I C 2.694 178.685 176.117 -0.210 0.000 1.097 1278 I CA 1.760 62.977 61.300 -0.138 0.000 1.363 1278 I CB -0.305 37.586 38.000 -0.182 0.000 1.051 1278 I HN 0.382 nan 8.210 nan 0.000 0.413 1279 R N 1.201 121.685 120.500 -0.027 0.000 2.096 1279 R HA -0.185 4.069 4.340 -0.143 0.000 0.235 1279 R C 2.304 178.590 176.300 -0.023 0.000 1.127 1279 R CA 1.622 57.754 56.100 0.053 0.000 0.968 1279 R CB -0.209 30.244 30.300 0.255 0.000 0.861 1279 R HN 0.370 nan 8.270 nan 0.000 0.440 1280 A N 0.355 123.164 122.820 -0.018 0.000 1.968 1280 A HA 0.019 4.253 4.320 -0.143 0.000 0.217 1280 A C 2.278 179.805 177.584 -0.094 0.000 1.169 1280 A CA 1.299 53.314 52.037 -0.036 0.000 0.638 1280 A CB -0.532 18.465 19.000 -0.004 0.000 0.812 1280 A HN 0.516 nan 8.150 nan 0.000 0.446 1281 A N 0.015 122.777 122.820 -0.098 0.000 1.898 1281 A HA -0.113 4.122 4.320 -0.143 0.000 0.216 1281 A C 2.209 179.703 177.584 -0.149 0.000 1.181 1281 A CA 1.409 53.373 52.037 -0.121 0.000 0.620 1281 A CB -0.398 18.569 19.000 -0.055 0.000 0.819 1281 A HN 0.521 nan 8.150 nan 0.000 0.442 1282 R N -0.450 119.950 120.500 -0.167 0.000 2.115 1282 R HA -0.001 4.253 4.340 -0.143 0.000 0.230 1282 R C 2.353 178.586 176.300 -0.111 0.000 1.111 1282 R CA 1.014 57.021 56.100 -0.156 0.000 0.976 1282 R CB -0.379 29.773 30.300 -0.246 0.000 0.870 1282 R HN 0.506 nan 8.270 nan 0.000 0.445 1283 A N 0.692 123.448 122.820 -0.107 0.000 1.930 1283 A HA -0.222 4.012 4.320 -0.143 0.000 0.217 1283 A C 2.085 179.577 177.584 -0.154 0.000 1.175 1283 A CA 1.304 53.285 52.037 -0.092 0.000 0.627 1283 A CB -0.300 18.661 19.000 -0.065 0.000 0.815 1283 A HN 0.208 nan 8.150 nan 0.000 0.443 1284 Q N -0.748 118.899 119.800 -0.256 0.000 2.046 1284 Q HA -0.136 4.118 4.340 -0.143 0.000 0.200 1284 Q C 1.326 177.027 176.000 -0.497 0.000 0.975 1284 Q CA 2.329 57.851 55.803 -0.469 0.000 0.836 1284 Q CB -0.263 28.023 28.738 -0.753 0.000 0.896 1284 Q HN 0.836 nan 8.270 nan 0.000 0.428 1285 H N -1.970 116.997 119.070 -0.173 0.000 3.241 1285 H HA 0.405 4.875 4.556 -0.144 0.000 0.260 1285 H C 0.130 175.397 175.328 -0.100 0.000 1.084 1285 H CA -0.167 55.787 56.048 -0.157 0.000 1.203 1285 H CB 0.847 30.495 29.762 -0.190 0.000 1.524 1285 H HN 0.249 nan 8.280 nan 0.000 0.521 1286 G N 0.580 109.383 108.800 0.005 0.000 2.483 1286 G HA2 0.070 3.944 3.960 -0.143 0.000 0.248 1286 G HA3 0.070 3.944 3.960 -0.143 0.000 0.248 1286 G C -0.662 174.234 174.900 -0.007 0.000 1.248 1286 G CA -0.302 44.794 45.100 -0.006 0.000 0.838 1286 G HN 0.206 nan 8.290 nan 0.000 0.566 1287 D N 0.728 121.125 120.400 -0.006 0.000 2.456 1287 D HA 0.086 4.641 4.640 -0.143 0.000 0.219 1287 D C 0.616 176.916 176.300 0.001 0.000 1.126 1287 D CA -0.510 53.486 54.000 -0.005 0.000 0.890 1287 D CB -0.781 40.013 40.800 -0.011 0.000 1.025 1287 D HN 0.453 nan 8.370 nan 0.000 0.511 1288 N N 1.861 120.564 118.700 0.004 0.000 2.714 1288 N HA -0.228 4.426 4.740 -0.143 0.000 0.252 1288 N C -0.420 175.104 175.510 0.022 0.000 1.014 1288 N CA 0.542 53.600 53.050 0.013 0.000 0.735 1288 N CB -0.598 37.897 38.487 0.013 0.000 0.924 1288 N HN 0.522 nan 8.380 nan 0.000 0.540 1289 A N 0.624 123.457 122.820 0.021 0.000 2.466 1289 A HA 0.120 4.354 4.320 -0.143 0.000 0.238 1289 A C 0.823 178.447 177.584 0.068 0.000 1.074 1289 A CA -0.094 51.963 52.037 0.033 0.000 0.774 1289 A CB 0.364 19.369 19.000 0.008 0.000 1.015 1289 A HN 0.398 nan 8.150 nan 0.000 0.498 1290 K N 1.233 121.689 120.400 0.093 0.000 2.491 1290 K HA -0.064 4.170 4.320 -0.143 0.000 0.279 1290 K C 1.118 177.832 176.600 0.189 0.000 1.026 1290 K CA 0.405 56.769 56.287 0.128 0.000 1.070 1290 K CB 0.332 32.918 32.500 0.144 0.000 0.887 1290 K HN 0.869 nan 8.250 nan 0.000 0.481 1291 Q N 3.985 123.879 119.800 0.156 0.000 2.016 1291 Q HA -0.103 4.151 4.340 -0.143 0.000 0.200 1291 Q C 0.267 176.378 176.000 0.184 0.000 0.978 1291 Q CA 1.184 57.088 55.803 0.169 0.000 0.833 1291 Q CB 0.100 28.904 28.738 0.110 0.000 0.895 1291 Q HN 0.667 nan 8.270 nan 0.000 0.427 1292 L N 3.155 124.448 121.223 0.117 0.000 2.466 1292 L HA 0.239 4.493 4.340 -0.143 0.000 0.248 1292 L C -0.414 176.471 176.870 0.025 0.000 1.240 1292 L CA -0.896 53.955 54.840 0.018 0.000 1.180 1292 L CB -0.491 41.605 42.059 0.061 0.000 1.413 1292 L HN 0.166 nan 8.230 nan 0.000 0.406 1293 F N -0.734 119.279 119.950 0.105 0.000 2.406 1293 F HA 0.477 4.915 4.527 -0.148 0.000 0.327 1293 F C 0.455 176.366 175.800 0.184 0.000 1.153 1293 F CA -1.071 56.998 58.000 0.113 0.000 1.218 1293 F CB 0.325 39.369 39.000 0.075 0.000 1.215 1293 F HN 0.132 nan 8.300 nan 0.000 0.570 1294 Q N 2.063 122.067 119.800 0.340 0.000 2.279 1294 Q HA 0.478 4.733 4.340 -0.143 0.000 0.256 1294 Q C -1.725 174.499 176.000 0.372 0.000 0.937 1294 Q CA -0.504 55.484 55.803 0.308 0.000 0.933 1294 Q CB 1.363 30.243 28.738 0.236 0.000 1.189 1294 Q HN 0.786 nan 8.270 nan 0.000 0.417 1295 L N 4.709 126.168 121.223 0.393 0.000 2.388 1295 L HA 0.493 4.747 4.340 -0.143 0.000 0.267 1295 L C -1.316 175.770 176.870 0.361 0.000 0.995 1295 L CA -0.242 54.799 54.840 0.335 0.000 0.864 1295 L CB 1.337 43.526 42.059 0.216 0.000 1.216 1295 L HN 0.650 nan 8.230 nan 0.000 0.430 1296 D N 1.581 122.138 120.400 0.262 0.000 2.354 1296 D HA 0.245 4.799 4.640 -0.143 0.000 0.247 1296 D C -0.410 176.090 176.300 0.332 0.000 1.138 1296 D CA -0.008 54.138 54.000 0.242 0.000 0.958 1296 D CB 1.770 42.718 40.800 0.247 0.000 1.144 1296 D HN 0.437 nan 8.370 nan 0.000 0.458 1297 S N 0.316 116.149 115.700 0.223 0.000 2.509 1297 S HA 0.505 4.890 4.470 -0.143 0.000 0.297 1297 S C -2.645 172.050 174.600 0.160 0.000 1.118 1297 S CA -1.499 56.820 58.200 0.198 0.000 1.074 1297 S CB 1.306 64.480 63.200 -0.043 0.000 1.038 1297 S HN 0.153 nan 8.310 nan 0.000 0.498 1298 P HA 0.264 nan 4.420 nan 0.000 0.278 1298 P C -1.241 176.176 177.300 0.196 0.000 1.238 1298 P CA -0.530 62.674 63.100 0.173 0.000 0.794 1298 P CB 0.853 32.596 31.700 0.072 0.000 0.955 1299 A N 2.596 125.561 122.820 0.241 0.000 2.990 1299 A HA 0.359 4.593 4.320 -0.143 0.000 0.282 1299 A C 0.984 178.567 177.584 -0.001 0.000 1.688 1299 A CA -0.179 51.899 52.037 0.069 0.000 1.391 1299 A CB -1.374 17.553 19.000 -0.120 0.000 1.112 1299 A HN 0.598 nan 8.150 nan 0.000 0.588 1300 T N -0.584 113.968 114.554 -0.004 0.000 2.754 1300 T HA 0.335 4.599 4.350 -0.143 0.000 0.286 1300 T C -1.734 172.904 174.700 -0.105 0.000 0.997 1300 T CA -1.310 60.771 62.100 -0.032 0.000 0.982 1300 T CB 0.341 69.189 68.868 -0.033 0.000 1.027 1300 T HN 0.154 nan 8.240 nan 0.000 0.529 1301 P HA -0.110 nan 4.420 nan 0.000 0.215 1301 P C 1.595 178.529 177.300 -0.609 0.000 1.153 1301 P CA 1.137 64.154 63.100 -0.138 0.000 0.853 1301 P CB 0.029 31.760 31.700 0.051 0.000 0.788 1302 E N 0.383 119.992 120.200 -0.985 0.000 2.049 1302 E HA -0.259 4.006 4.350 -0.143 0.000 0.198 1302 E C 1.761 177.971 176.600 -0.650 0.000 1.007 1302 E CA 1.589 57.071 56.400 -1.530 0.000 0.809 1302 E CB -0.200 29.070 29.700 -0.718 0.000 0.749 1302 E HN 0.164 nan 8.360 nan 0.000 0.450 1303 K N 0.032 120.245 120.400 -0.312 0.000 2.097 1303 K HA -0.110 4.125 4.320 -0.143 0.000 0.205 1303 K C 2.316 178.846 176.600 -0.116 0.000 1.050 1303 K CA 1.282 57.488 56.287 -0.134 0.000 0.938 1303 K CB -0.142 32.341 32.500 -0.028 0.000 0.718 1303 K HN 0.263 nan 8.250 nan 0.000 0.442 1304 I N 0.735 121.220 120.570 -0.142 0.000 2.179 1304 I HA -0.273 3.811 4.170 -0.143 0.000 0.242 1304 I C 2.628 178.706 176.117 -0.065 0.000 1.088 1304 I CA 1.070 62.313 61.300 -0.096 0.000 1.357 1304 I CB -0.168 37.784 38.000 -0.080 0.000 1.051 1304 I HN 0.065 nan 8.210 nan 0.000 0.409 1305 R N 1.585 122.036 120.500 -0.082 0.000 2.075 1305 R HA -0.136 4.119 4.340 -0.143 0.000 0.232 1305 R C 1.906 178.231 176.300 0.042 0.000 1.126 1305 R CA 1.737 57.866 56.100 0.047 0.000 0.963 1305 R CB -0.538 29.894 30.300 0.221 0.000 0.858 1305 R HN 0.284 nan 8.270 nan 0.000 0.435 1306 N N 0.337 119.025 118.700 -0.021 0.000 2.244 1306 N HA -0.067 4.588 4.740 -0.143 0.000 0.183 1306 N C 1.310 176.823 175.510 0.005 0.000 1.016 1306 N CA 1.445 54.506 53.050 0.019 0.000 0.866 1306 N CB -0.323 38.166 38.487 0.003 0.000 0.980 1306 N HN 0.384 nan 8.380 nan 0.000 0.430 1307 A N -0.195 122.609 122.820 -0.027 0.000 2.119 1307 A HA -0.017 4.217 4.320 -0.143 0.000 0.217 1307 A C 1.101 178.603 177.584 -0.136 0.000 1.153 1307 A CA 0.343 52.332 52.037 -0.080 0.000 0.692 1307 A CB -0.319 18.623 19.000 -0.097 0.000 0.799 1307 A HN 0.332 nan 8.150 nan 0.000 0.458 1308 C N 2.209 121.475 119.300 -0.056 0.000 2.615 1308 C HA 0.418 4.792 4.460 -0.143 0.000 0.503 1308 C C 0.846 175.864 174.990 0.046 0.000 1.039 1308 C CA -0.966 58.046 59.018 -0.010 0.000 1.226 1308 C CB -2.338 25.444 27.740 0.070 0.000 1.447 1308 C HN 0.449 nan 8.230 nan 0.000 0.572 1309 V N 1.411 121.324 119.914 -0.002 0.000 2.655 1309 V HA 0.610 4.644 4.120 -0.143 0.000 0.300 1309 V C -0.124 175.997 176.094 0.045 0.000 1.044 1309 V CA 0.234 62.546 62.300 0.019 0.000 1.095 1309 V CB 0.721 32.539 31.823 -0.009 0.000 0.952 1309 V HN 0.756 nan 8.190 nan 0.000 0.485 1310 D N 1.903 122.317 120.400 0.024 0.000 2.970 1310 D HA 0.154 4.708 4.640 -0.143 0.000 0.344 1310 D C 0.699 176.884 176.300 -0.191 0.000 1.365 1310 D CA -0.031 53.946 54.000 -0.037 0.000 0.910 1310 D CB 0.727 41.563 40.800 0.061 0.000 1.445 1310 D HN 0.475 nan 8.370 nan 0.000 0.532 1311 Q N -0.595 118.928 119.800 -0.461 0.000 2.291 1311 Q HA -0.006 4.248 4.340 -0.143 0.000 0.205 1311 Q C 1.245 176.869 176.000 -0.627 0.000 0.970 1311 Q CA 1.295 56.736 55.803 -0.603 0.000 0.876 1311 Q CB -0.557 27.686 28.738 -0.824 0.000 0.935 1311 Q HN 0.451 nan 8.270 nan 0.000 0.455 1312 F N 2.047 121.907 119.950 -0.149 0.000 2.149 1312 F HA -0.061 4.379 4.527 -0.145 0.000 0.294 1312 F C 2.880 178.625 175.800 -0.092 0.000 1.095 1312 F CA 1.236 59.152 58.000 -0.141 0.000 1.276 1312 F CB -0.838 38.056 39.000 -0.176 0.000 1.023 1312 F HN 0.185 nan 8.300 nan 0.000 0.480 1313 T N -2.048 112.567 114.554 0.102 0.000 2.759 1313 T HA -0.234 4.030 4.350 -0.143 0.000 0.269 1313 T C 1.974 176.676 174.700 0.003 0.000 1.042 1313 T CA 1.839 63.970 62.100 0.052 0.000 1.140 1313 T CB -1.336 67.564 68.868 0.053 0.000 0.864 1313 T HN 0.427 nan 8.240 nan 0.000 0.455 1314 T N 0.433 114.966 114.554 -0.035 0.000 2.867 1314 T HA 0.041 4.305 4.350 -0.143 0.000 0.268 1314 T C 1.816 176.488 174.700 -0.046 0.000 1.057 1314 T CA 0.585 62.657 62.100 -0.046 0.000 1.136 1314 T CB -0.621 68.204 68.868 -0.072 0.000 0.874 1314 T HN 0.211 nan 8.240 nan 0.000 0.466 1315 L N 0.425 121.616 121.223 -0.053 0.000 2.376 1315 L HA 0.222 4.476 4.340 -0.143 0.000 0.219 1315 L C 2.327 179.176 176.870 -0.034 0.000 1.133 1315 L CA 0.353 55.166 54.840 -0.045 0.000 0.816 1315 L CB -0.834 41.199 42.059 -0.044 0.000 0.933 1315 L HN 0.494 nan 8.230 nan 0.000 0.449 1316 C N -2.252 117.034 119.300 -0.023 0.000 3.070 1316 C HA 0.251 4.625 4.460 -0.143 0.000 0.280 1316 C C 1.489 176.467 174.990 -0.020 0.000 1.264 1316 C CA -0.671 58.330 59.018 -0.028 0.000 1.690 1316 C CB -0.478 27.247 27.740 -0.025 0.000 2.049 1316 C HN 0.314 nan 8.230 nan 0.000 0.636 1325 K N 2.199 122.614 120.400 0.025 0.000 2.248 1325 K HA 0.614 4.848 4.320 -0.143 0.000 0.281 1325 K C 0.228 176.861 176.600 0.056 0.000 1.054 1325 K CA 0.455 56.764 56.287 0.036 0.000 0.903 1325 K CB 0.663 33.182 32.500 0.032 0.000 1.077 1325 K HN 0.549 nan 8.250 nan 0.000 0.474 1326 S N 2.330 118.075 115.700 0.075 0.000 2.697 1326 S HA 0.293 4.677 4.470 -0.143 0.000 0.289 1326 S C 0.008 174.719 174.600 0.185 0.000 1.149 1326 S CA -0.982 57.291 58.200 0.121 0.000 0.850 1326 S CB 0.522 63.788 63.200 0.110 0.000 1.151 1326 S HN 0.876 nan 8.310 nan 0.000 0.491 1327 W N 2.364 123.682 121.300 0.030 0.000 2.443 1327 W HA 0.280 4.854 4.660 -0.144 0.000 0.296 1327 W C 0.720 177.342 176.519 0.172 0.000 1.202 1327 W CA 1.299 58.669 57.345 0.041 0.000 1.312 1327 W CB -0.309 29.110 29.460 -0.067 0.000 1.120 1327 W HN 0.934 nan 8.180 nan 0.000 0.536 1328 S N -0.202 115.612 115.700 0.190 0.000 2.671 1328 S HA 0.661 5.045 4.470 -0.143 0.000 0.299 1328 S C -1.077 173.586 174.600 0.105 0.000 1.116 1328 S CA -0.862 57.371 58.200 0.057 0.000 0.912 1328 S CB 2.038 65.296 63.200 0.098 0.000 1.130 1328 S HN 0.088 nan 8.310 nan 0.000 0.501 1329 V N 0.650 120.614 119.914 0.084 0.000 2.864 1329 V HA 0.635 4.670 4.120 -0.143 0.000 0.314 1329 V C -0.293 175.841 176.094 0.067 0.000 1.073 1329 V CA -1.325 61.008 62.300 0.056 0.000 0.956 1329 V CB 1.905 33.734 31.823 0.010 0.000 1.023 1329 V HN 1.066 nan 8.190 nan 0.000 0.435 1330 R N 5.084 125.585 120.500 0.003 0.000 2.370 1330 R HA 0.398 4.652 4.340 -0.143 0.000 0.309 1330 R C 0.144 176.397 176.300 -0.078 0.000 1.059 1330 R CA -0.148 55.910 56.100 -0.070 0.000 0.981 1330 R CB 0.279 30.426 30.300 -0.256 0.000 0.972 1330 R HN 0.765 nan 8.270 nan 0.000 0.437 1331 I N 0.000 120.567 120.570 -0.006 0.000 2.984 1331 I HA 0.000 4.084 4.170 -0.143 0.000 0.288 1331 I CA 0.000 61.277 61.300 -0.039 0.000 1.566 1331 I CB 0.000 37.870 38.000 -0.216 0.000 1.214 1331 I HN 0.000 nan 8.210 nan 0.000 0.494