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 2vsq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSQFSKDQVQ DMYYLSPMQE GMLFHAILNP GQSFYLEQIT MKVKGSLNIK DATA SEQUENCE CLEESMNVIM DRYDVFRTVF IHEKVKRPVQ VVLKKRQFHI EEIDLTHLTG DATA SEQUENCE SEQTAKINEY KEQDKIRGFD LTRDIPMRAA IFKKAEESFE WVWSYHHIIL DATA SEQUENCE DGWCFGIVVQ DLFKVYNALR EQKPYSLPPV KPYKDYIKWL EKQDKQASLR DATA SEQUENCE YWREYLEGFE GQTTFAEQRK KQKDGYEPKE LLFSPSEAET KAFTELAKSQ DATA SEQUENCE HTTLSTALQA VWSVLISRYQ QSGDLAFGTV VSGRPAEIKG VEHMVGLFIN DATA SEQUENCE VVPRRVKLSE GITFNGLLKR LQEQSLQSEP HQYVPLYDIQ SQADQPKLID DATA SEQUENCE HIIVFENYPL QDAKNEESSE NGFDMVDVHV FEKSNYDLNL MASPGDEMLI DATA SEQUENCE KLAYNENVFD EAFILRLKSQ LLTAIQQLIQ NPDQPVSTIN LVDDREREFL DATA SEQUENCE LTGLNPPAQA HETKPLTYWF KEAVNANPDA PALTYSGQTL SYRELDEEAN DATA SEQUENCE RIARRLQKHG AGKGSVVALY TKRSLELVIG ILGVLKAGAA YLPVDPKLPE DATA SEQUENCE DRISYMLADS AAACLLTHQE MKEQAAELPY TGTTLFIDDQ TRFEEQASDP DATA SEQUENCE ATAIDPNDPA YIMYTSGTTG KPKGNITTHA NIQGLVKHVD YMAFSDQDTF DATA SEQUENCE LSVSNYAFDA FTFDFYASML NAARLIIADE HTLLDTERLT DLILQENVNV DATA SEQUENCE MFATTALFNL LTDAGEDWMK GLRCILFGGE RASVPHVRKA LRIMGPGKLI DATA SEQUENCE NCYGPTEGTV FATAHVVHDL PDSISSLPIG KPISNASVYI LNEQSQLQPF DATA SEQUENCE GAVGELCISG MGVSKGYVNR ADLTKEKFIE NPFKPGETLY RTGDLARWLP DATA SEQUENCE DGTIEYAGRI DDQVKIRGHR IELEEIEKQL QEYPGVKDAV VVADRHESGD DATA SEQUENCE ASINAYLVNR TQLSAEDVKA HLKKQLPAYM VPQTFTFLDE LPLTTNGKVN DATA SEQUENCE KRLLPKPDQD QLAEEWIGPR NEMEETIAQI WSEVLGRKQI GIHDDFFALG DATA SEQUENCE GHALKAMTAA SRIKKELGID LPVKLLFEAP TIAGISAYLK NGGSDGLQDV DATA SEQUENCE TIMNQDQEQI IFAFPPVLGY GLMYQNLSSR LPSYKLCAFD FIEEEDRLDR DATA SEQUENCE YADLIQKLQP EGPLTLFGYS AGCSLAFEAA KKLEEQGRIV QRIIMVDSYK DATA SEQUENCE KQGVSXXXXX TVESDVEALM NVNRXXXXXX XEAVKHGLKQ KTHAFYSYYV DATA SEQUENCE NXXXXXQVKA DIDLLTSGAD FDIPEWLASW EEATTGVYRM KRGFGTHAEM DATA SEQUENCE LQGETLDRNA EILLEFLNTQ TVTVSKGEFE AYVEQKLISE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.283 176.300 -0.028 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.016 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 S N 1.947 117.637 115.700 -0.017 0.000 2.549 2 S HA 0.097 4.437 4.470 -0.216 0.000 0.286 2 S C 0.773 175.305 174.600 -0.113 0.000 1.314 2 S CA 0.223 58.411 58.200 -0.020 0.000 1.062 2 S CB 1.234 64.456 63.200 0.037 0.000 0.865 2 S HN 0.562 nan 8.310 nan 0.000 0.498 3 Q N 2.607 122.239 119.800 -0.278 0.000 2.472 3 Q HA 0.193 4.403 4.340 -0.216 0.000 0.208 3 Q C -1.060 174.428 176.000 -0.854 0.000 0.958 3 Q CA 0.823 56.244 55.803 -0.637 0.000 0.932 3 Q CB 0.084 28.258 28.738 -0.939 0.000 1.007 3 Q HN 0.693 nan 8.270 nan 0.000 0.508 4 F N -1.194 118.772 119.950 0.027 0.000 2.613 4 F HA 0.409 4.806 4.527 -0.216 0.000 0.310 4 F C -0.207 175.602 175.800 0.016 0.000 1.085 4 F CA -1.241 56.772 58.000 0.022 0.000 0.945 4 F CB 1.502 40.514 39.000 0.020 0.000 1.298 4 F HN -0.195 nan 8.300 nan 0.000 0.455 5 S N -0.193 115.633 115.700 0.210 0.000 2.681 5 S HA 0.655 4.996 4.470 -0.216 0.000 0.299 5 S C 0.753 175.409 174.600 0.092 0.000 1.113 5 S CA -0.175 58.095 58.200 0.116 0.000 1.013 5 S CB 1.674 64.922 63.200 0.080 0.000 1.076 5 S HN 0.907 nan 8.310 nan 0.000 0.534 6 K N 0.753 121.188 120.400 0.059 0.000 2.103 6 K HA -0.190 4.000 4.320 -0.216 0.000 0.207 6 K C 1.686 178.302 176.600 0.027 0.000 1.048 6 K CA 2.156 58.465 56.287 0.036 0.000 0.930 6 K CB -1.709 30.806 32.500 0.026 0.000 0.716 6 K HN 0.864 nan 8.250 nan 0.000 0.444 7 D N 0.669 121.090 120.400 0.034 0.000 2.133 7 D HA -0.230 4.281 4.640 -0.216 0.000 0.195 7 D C 1.939 178.256 176.300 0.028 0.000 0.997 7 D CA 1.846 55.864 54.000 0.029 0.000 0.840 7 D CB -0.231 40.589 40.800 0.034 0.000 0.947 7 D HN 0.690 nan 8.370 nan 0.000 0.452 8 Q N -0.327 119.499 119.800 0.044 0.000 2.226 8 Q HA -0.046 4.165 4.340 -0.216 0.000 0.204 8 Q C 0.573 176.565 176.000 -0.014 0.000 0.975 8 Q CA 0.363 56.187 55.803 0.035 0.000 0.866 8 Q CB 0.185 28.973 28.738 0.083 0.000 0.915 8 Q HN 0.209 nan 8.270 nan 0.000 0.440 9 V N 2.198 122.100 119.914 -0.021 0.000 2.479 9 V HA -0.086 3.904 4.120 -0.216 0.000 0.281 9 V C 1.152 177.224 176.094 -0.037 0.000 1.031 9 V CA 0.542 62.810 62.300 -0.054 0.000 1.038 9 V CB 1.056 32.848 31.823 -0.052 0.000 0.981 9 V HN 0.321 nan 8.190 nan 0.000 0.478 10 Q N 2.842 122.615 119.800 -0.045 0.000 2.390 10 Q HA 0.114 4.324 4.340 -0.216 0.000 0.216 10 Q C 0.179 176.173 176.000 -0.010 0.000 0.916 10 Q CA 0.602 56.395 55.803 -0.018 0.000 0.911 10 Q CB 0.764 29.497 28.738 -0.008 0.000 1.035 10 Q HN 0.849 nan 8.270 nan 0.000 0.541 11 D N -0.673 119.709 120.400 -0.029 0.000 2.694 11 D HA 0.292 4.802 4.640 -0.216 0.000 0.260 11 D C -1.520 174.728 176.300 -0.087 0.000 1.250 11 D CA -0.388 53.612 54.000 0.001 0.000 0.763 11 D CB 1.678 42.538 40.800 0.100 0.000 1.311 11 D HN 0.178 nan 8.370 nan 0.000 0.420 12 M N 0.552 120.111 119.600 -0.068 0.000 2.471 12 M HA 0.618 4.969 4.480 -0.216 0.000 0.284 12 M C -1.965 174.250 176.300 -0.141 0.000 1.203 12 M CA -0.685 54.455 55.300 -0.267 0.000 0.915 12 M CB 1.031 33.491 32.600 -0.233 0.000 1.734 12 M HN 0.437 nan 8.290 nan 0.000 0.485 13 Y N -0.941 119.237 120.300 -0.204 0.000 2.725 13 Y HA 0.766 5.187 4.550 -0.216 0.000 0.333 13 Y C -1.578 174.179 175.900 -0.238 0.000 1.242 13 Y CA -1.508 56.438 58.100 -0.258 0.000 1.059 13 Y CB 0.474 38.855 38.460 -0.131 0.000 1.306 13 Y HN 0.634 nan 8.280 nan 0.000 0.454 14 Y N 0.882 121.289 120.300 0.178 0.000 2.281 14 Y HA 0.487 4.907 4.550 -0.216 0.000 0.337 14 Y C -0.124 175.858 175.900 0.137 0.000 1.304 14 Y CA -0.629 57.532 58.100 0.102 0.000 1.465 14 Y CB 0.384 38.877 38.460 0.056 0.000 1.350 14 Y HN 0.387 nan 8.280 nan 0.000 0.575 15 L N 0.848 122.253 121.223 0.302 0.000 2.343 15 L HA 0.346 4.556 4.340 -0.216 0.000 0.275 15 L C 0.283 177.244 176.870 0.151 0.000 1.056 15 L CA -0.498 54.476 54.840 0.223 0.000 0.804 15 L CB 1.145 43.306 42.059 0.171 0.000 1.203 15 L HN 0.753 nan 8.230 nan 0.000 0.440 16 S N 2.183 117.971 115.700 0.147 0.000 2.573 16 S HA 0.169 4.510 4.470 -0.216 0.000 0.277 16 S C -1.835 172.829 174.600 0.107 0.000 1.346 16 S CA -0.719 57.544 58.200 0.105 0.000 1.034 16 S CB 0.336 63.653 63.200 0.196 0.000 0.879 16 S HN 0.526 nan 8.310 nan 0.000 0.528 17 P HA -0.156 nan 4.420 nan 0.000 0.216 17 P C 1.542 178.910 177.300 0.114 0.000 1.150 17 P CA 1.640 64.820 63.100 0.132 0.000 0.843 17 P CB -0.041 31.767 31.700 0.181 0.000 0.787 18 M N -1.455 118.208 119.600 0.105 0.000 2.067 18 M HA -0.216 4.135 4.480 -0.216 0.000 0.260 18 M C 2.360 178.655 176.300 -0.007 0.000 1.069 18 M CA 1.869 57.202 55.300 0.055 0.000 1.117 18 M CB -0.842 31.782 32.600 0.040 0.000 1.334 18 M HN -0.047 nan 8.290 nan 0.000 0.407 19 Q N 0.020 119.816 119.800 -0.007 0.000 2.045 19 Q HA -0.294 3.917 4.340 -0.216 0.000 0.206 19 Q C 1.961 177.862 176.000 -0.164 0.000 0.991 19 Q CA 2.169 57.925 55.803 -0.079 0.000 0.851 19 Q CB -0.329 28.435 28.738 0.042 0.000 0.911 19 Q HN 0.514 nan 8.270 nan 0.000 0.418 20 E N -0.413 119.724 120.200 -0.105 0.000 2.097 20 E HA -0.211 4.010 4.350 -0.216 0.000 0.196 20 E C 1.920 178.333 176.600 -0.312 0.000 1.000 20 E CA 1.410 57.662 56.400 -0.246 0.000 0.804 20 E CB -0.286 29.388 29.700 -0.043 0.000 0.740 20 E HN 0.442 nan 8.360 nan 0.000 0.454 21 G N 0.250 109.046 108.800 -0.007 0.000 2.394 21 G HA2 -0.230 3.601 3.960 -0.216 0.000 0.215 21 G HA3 -0.230 3.601 3.960 -0.216 0.000 0.215 21 G C 1.547 176.456 174.900 0.016 0.000 1.165 21 G CA 0.822 46.004 45.100 0.136 0.000 0.784 21 G HN 0.183 nan 8.290 nan 0.000 0.535 22 M N -0.303 119.201 119.600 -0.160 0.000 2.108 22 M HA -0.030 4.320 4.480 -0.216 0.000 0.261 22 M C 2.481 178.678 176.300 -0.170 0.000 1.066 22 M CA 1.018 56.111 55.300 -0.345 0.000 1.107 22 M CB -0.437 31.801 32.600 -0.604 0.000 1.356 22 M HN 0.266 nan 8.290 nan 0.000 0.406 23 L N 0.258 121.277 121.223 -0.340 0.000 2.013 23 L HA -0.199 4.011 4.340 -0.216 0.000 0.212 23 L C 2.046 178.793 176.870 -0.206 0.000 1.073 23 L CA 2.089 56.679 54.840 -0.417 0.000 0.753 23 L CB -0.724 40.947 42.059 -0.647 0.000 0.890 23 L HN 0.092 nan 8.230 nan 0.000 0.432 24 F N -0.904 119.032 119.950 -0.024 0.000 2.163 24 F HA -0.124 4.273 4.527 -0.216 0.000 0.297 24 F C 2.575 178.400 175.800 0.041 0.000 1.094 24 F CA 1.457 59.451 58.000 -0.009 0.000 1.290 24 F CB -1.359 37.646 39.000 0.008 0.000 1.017 24 F HN 0.272 nan 8.300 nan 0.000 0.483 25 H N -0.326 118.848 119.070 0.174 0.000 2.267 25 H HA -0.273 4.154 4.556 -0.216 0.000 0.291 25 H C 2.326 177.739 175.328 0.140 0.000 1.094 25 H CA 1.717 57.833 56.048 0.114 0.000 1.227 25 H CB -0.124 29.743 29.762 0.176 0.000 1.351 25 H HN 0.200 nan 8.280 nan 0.000 0.483 26 A N 0.542 123.557 122.820 0.325 0.000 1.873 26 A HA -0.211 3.979 4.320 -0.216 0.000 0.218 26 A C 2.506 180.192 177.584 0.170 0.000 1.193 26 A CA 2.018 54.203 52.037 0.246 0.000 0.629 26 A CB -0.917 18.179 19.000 0.160 0.000 0.826 26 A HN 0.494 nan 8.150 nan 0.000 0.447 27 I N -0.566 120.068 120.570 0.107 0.000 2.208 27 I HA -0.268 3.772 4.170 -0.216 0.000 0.245 27 I C 2.246 178.431 176.117 0.113 0.000 1.097 27 I CA 1.353 62.697 61.300 0.073 0.000 1.363 27 I CB -0.265 37.743 38.000 0.015 0.000 1.051 27 I HN 0.288 nan 8.210 nan 0.000 0.413 28 L N -0.818 120.481 121.223 0.127 0.000 2.307 28 L HA 0.018 4.229 4.340 -0.216 0.000 0.211 28 L C 1.108 178.055 176.870 0.129 0.000 1.099 28 L CA 0.769 55.667 54.840 0.098 0.000 0.816 28 L CB -0.203 41.883 42.059 0.045 0.000 0.952 28 L HN 0.242 nan 8.230 nan 0.000 0.455 29 N N 0.224 119.039 118.700 0.192 0.000 2.642 29 N HA 0.189 4.799 4.740 -0.216 0.000 0.308 29 N C -2.560 173.125 175.510 0.293 0.000 1.914 29 N CA -1.246 51.959 53.050 0.258 0.000 0.893 29 N CB 1.064 39.733 38.487 0.304 0.000 1.322 29 N HN -0.036 nan 8.380 nan 0.000 0.490 30 P HA 0.266 nan 4.420 nan 0.000 0.277 30 P C 0.811 178.212 177.300 0.167 0.000 1.240 30 P CA 0.698 63.918 63.100 0.200 0.000 0.798 30 P CB 1.613 33.406 31.700 0.154 0.000 0.979 31 G N 0.786 109.672 108.800 0.143 0.000 2.399 31 G HA2 -0.186 3.645 3.960 -0.216 0.000 0.216 31 G HA3 -0.186 3.645 3.960 -0.216 0.000 0.216 31 G C 0.109 175.065 174.900 0.094 0.000 1.096 31 G CA -0.408 44.743 45.100 0.086 0.000 0.650 31 G HN 0.585 nan 8.290 nan 0.000 0.512 32 Q N 1.882 121.787 119.800 0.175 0.000 2.262 32 Q HA 0.367 4.578 4.340 -0.216 0.000 0.272 32 Q C 0.955 177.001 176.000 0.076 0.000 1.076 32 Q CA 0.876 56.751 55.803 0.120 0.000 0.905 32 Q CB 0.951 29.873 28.738 0.306 0.000 1.182 32 Q HN 0.843 nan 8.270 nan 0.000 0.390 33 S N 2.268 117.932 115.700 -0.061 0.000 3.456 33 S HA 0.123 4.463 4.470 -0.216 0.000 0.229 33 S C 0.845 175.371 174.600 -0.124 0.000 1.416 33 S CA -0.453 57.733 58.200 -0.024 0.000 1.197 33 S CB -0.521 62.675 63.200 -0.005 0.000 1.201 33 S HN 0.429 nan 8.310 nan 0.000 0.479 34 F N 0.930 120.723 119.950 -0.261 0.000 2.046 34 F HA -0.060 4.338 4.527 -0.216 0.000 0.297 34 F C 1.413 176.825 175.800 -0.647 0.000 1.123 34 F CA 1.509 59.142 58.000 -0.611 0.000 1.199 34 F CB -0.343 37.981 39.000 -1.126 0.000 0.972 34 F HN 0.462 nan 8.300 nan 0.000 0.474 35 Y N -0.661 119.631 120.300 -0.013 0.000 2.658 35 Y HA 0.312 4.733 4.550 -0.216 0.000 0.276 35 Y C -0.105 175.577 175.900 -0.363 0.000 1.167 35 Y CA -0.509 57.487 58.100 -0.173 0.000 1.230 35 Y CB 0.237 38.616 38.460 -0.135 0.000 1.144 35 Y HN -0.101 nan 8.280 nan 0.000 0.529 36 L N 1.734 122.895 121.223 -0.103 0.000 2.255 36 L HA 0.332 4.542 4.340 -0.216 0.000 0.289 36 L C -0.147 176.686 176.870 -0.061 0.000 1.046 36 L CA -0.145 54.680 54.840 -0.024 0.000 0.816 36 L CB 0.536 42.650 42.059 0.090 0.000 1.197 36 L HN 0.122 nan 8.230 nan 0.000 0.427 37 E N 4.345 124.381 120.200 -0.274 0.000 2.248 37 E HA 0.331 4.551 4.350 -0.216 0.000 0.272 37 E C -1.154 175.272 176.600 -0.291 0.000 1.008 37 E CA -0.531 55.619 56.400 -0.417 0.000 0.856 37 E CB 1.975 31.141 29.700 -0.891 0.000 1.120 37 E HN 0.548 nan 8.360 nan 0.000 0.397 38 Q N 2.369 122.088 119.800 -0.136 0.000 2.296 38 Q HA 0.309 4.519 4.340 -0.216 0.000 0.254 38 Q C -1.712 174.293 176.000 0.009 0.000 0.936 38 Q CA -0.580 55.232 55.803 0.014 0.000 0.834 38 Q CB 1.482 30.257 28.738 0.062 0.000 1.340 38 Q HN 0.431 nan 8.270 nan 0.000 0.428 39 I N 1.911 122.488 120.570 0.012 0.000 2.418 39 I HA 0.482 4.523 4.170 -0.216 0.000 0.287 39 I C -1.211 174.986 176.117 0.134 0.000 1.008 39 I CA 0.168 61.455 61.300 -0.021 0.000 1.104 39 I CB 2.089 39.929 38.000 -0.267 0.000 1.264 39 I HN 0.389 nan 8.210 nan 0.000 0.438 40 T N 8.533 123.196 114.554 0.181 0.000 2.771 40 T HA 0.582 4.803 4.350 -0.216 0.000 0.281 40 T C -0.209 174.602 174.700 0.185 0.000 0.982 40 T CA -0.370 61.866 62.100 0.227 0.000 0.978 40 T CB 0.843 69.846 68.868 0.224 0.000 0.930 40 T HN 0.559 nan 8.240 nan 0.000 0.447 41 M N 2.975 122.699 119.600 0.208 0.000 2.134 41 M HA 0.388 4.739 4.480 -0.216 0.000 0.310 41 M C -0.140 176.326 176.300 0.276 0.000 0.966 41 M CA -0.674 54.741 55.300 0.192 0.000 0.922 41 M CB 1.931 34.585 32.600 0.090 0.000 1.537 41 M HN 0.311 nan 8.290 nan 0.000 0.424 42 K N 2.841 123.372 120.400 0.218 0.000 2.316 42 K HA 0.472 4.662 4.320 -0.216 0.000 0.289 42 K C -1.295 175.448 176.600 0.238 0.000 1.070 42 K CA -0.226 56.186 56.287 0.209 0.000 0.928 42 K CB 0.751 33.336 32.500 0.142 0.000 1.039 42 K HN 0.500 nan 8.250 nan 0.000 0.480 43 V N 5.094 125.171 119.914 0.272 0.000 2.378 43 V HA 0.246 4.236 4.120 -0.216 0.000 0.288 43 V C -0.643 175.614 176.094 0.273 0.000 1.016 43 V CA -0.837 61.627 62.300 0.272 0.000 0.840 43 V CB 1.416 33.343 31.823 0.174 0.000 0.994 43 V HN 0.591 nan 8.190 nan 0.000 0.431 44 K N 3.549 124.098 120.400 0.249 0.000 2.316 44 K HA 0.812 5.002 4.320 -0.216 0.000 0.267 44 K C 0.280 177.025 176.600 0.243 0.000 1.025 44 K CA 0.483 56.888 56.287 0.195 0.000 0.896 44 K CB 1.269 33.849 32.500 0.132 0.000 1.124 44 K HN 1.013 nan 8.250 nan 0.000 0.451 45 G N 0.493 109.442 108.800 0.249 0.000 2.339 45 G HA2 0.040 3.871 3.960 -0.216 0.000 0.275 45 G HA3 0.040 3.871 3.960 -0.216 0.000 0.275 45 G C -1.373 173.714 174.900 0.313 0.000 1.323 45 G CA -0.489 44.763 45.100 0.254 0.000 0.927 45 G HN 0.562 nan 8.290 nan 0.000 0.486 46 S N -0.743 115.123 115.700 0.276 0.000 2.499 46 S HA 0.709 5.050 4.470 -0.216 0.000 0.279 46 S C -0.603 174.137 174.600 0.232 0.000 1.219 46 S CA -0.424 57.929 58.200 0.256 0.000 1.062 46 S CB 1.629 64.935 63.200 0.177 0.000 0.978 46 S HN 1.682 nan 8.310 nan 0.000 0.489 47 L N 3.248 124.530 121.223 0.099 0.000 2.441 47 L HA 0.511 4.721 4.340 -0.216 0.000 0.270 47 L C -0.845 175.948 176.870 -0.128 0.000 0.973 47 L CA -0.391 54.343 54.840 -0.177 0.000 0.842 47 L CB 1.743 43.306 42.059 -0.826 0.000 1.239 47 L HN 0.859 nan 8.230 nan 0.000 0.406 48 N N 5.540 124.284 118.700 0.074 0.000 2.555 48 N HA 0.190 4.800 4.740 -0.216 0.000 0.244 48 N C 1.065 176.572 175.510 -0.004 0.000 1.114 48 N CA 0.107 53.192 53.050 0.058 0.000 0.963 48 N CB 0.341 38.889 38.487 0.103 0.000 1.276 48 N HN 0.762 nan 8.380 nan 0.000 0.510 49 I N 1.952 122.423 120.570 -0.166 0.000 2.226 49 I HA -0.233 3.807 4.170 -0.216 0.000 0.245 49 I C 2.389 178.433 176.117 -0.120 0.000 1.100 49 I CA 0.697 61.849 61.300 -0.248 0.000 1.374 49 I CB -0.090 37.721 38.000 -0.315 0.000 1.057 49 I HN 0.491 nan 8.210 nan 0.000 0.413 50 K N 0.568 120.930 120.400 -0.063 0.000 2.034 50 K HA -0.292 3.898 4.320 -0.216 0.000 0.214 50 K C 2.304 178.907 176.600 0.004 0.000 1.051 50 K CA 2.132 58.403 56.287 -0.026 0.000 0.931 50 K CB -0.583 31.909 32.500 -0.014 0.000 0.715 50 K HN 0.396 nan 8.250 nan 0.000 0.446 51 C N 0.876 120.200 119.300 0.039 0.000 2.432 51 C HA -0.075 4.256 4.460 -0.216 0.000 0.280 51 C C 2.673 177.766 174.990 0.171 0.000 1.353 51 C CA 0.421 59.484 59.018 0.075 0.000 1.766 51 C CB -0.955 26.804 27.740 0.031 0.000 1.924 51 C HN 0.489 nan 8.230 nan 0.000 0.509 52 L N 0.862 122.186 121.223 0.168 0.000 2.131 52 L HA 0.029 4.240 4.340 -0.216 0.000 0.206 52 L C 2.422 179.281 176.870 -0.019 0.000 1.087 52 L CA 2.048 56.935 54.840 0.079 0.000 0.767 52 L CB -0.918 41.005 42.059 -0.227 0.000 0.917 52 L HN 0.402 nan 8.230 nan 0.000 0.441 53 E N -0.355 119.821 120.200 -0.041 0.000 2.038 53 E HA -0.272 3.948 4.350 -0.216 0.000 0.195 53 E C 1.972 178.568 176.600 -0.008 0.000 1.000 53 E CA 1.782 58.175 56.400 -0.012 0.000 0.803 53 E CB -0.060 29.639 29.700 -0.001 0.000 0.750 53 E HN 0.589 nan 8.360 nan 0.000 0.448 54 E N -0.029 120.173 120.200 0.004 0.000 2.085 54 E HA -0.202 4.019 4.350 -0.216 0.000 0.194 54 E C 2.160 178.759 176.600 -0.002 0.000 0.994 54 E CA 1.207 57.610 56.400 0.005 0.000 0.801 54 E CB -0.191 29.518 29.700 0.015 0.000 0.743 54 E HN 0.119 nan 8.360 nan 0.000 0.453 55 S N 0.405 116.115 115.700 0.016 0.000 2.399 55 S HA -0.197 4.144 4.470 -0.216 0.000 0.231 55 S C 1.969 176.539 174.600 -0.051 0.000 1.022 55 S CA 1.207 59.411 58.200 0.006 0.000 0.983 55 S CB -0.066 63.204 63.200 0.116 0.000 0.803 55 S HN 0.137 nan 8.310 nan 0.000 0.480 56 M N 2.206 121.739 119.600 -0.110 0.000 2.200 56 M HA 0.072 4.422 4.480 -0.216 0.000 0.265 56 M C 1.665 177.808 176.300 -0.263 0.000 1.066 56 M CA 1.437 56.562 55.300 -0.292 0.000 1.127 56 M CB -0.581 31.691 32.600 -0.547 0.000 1.379 56 M HN 0.284 nan 8.290 nan 0.000 0.420 57 N N -0.427 118.198 118.700 -0.126 0.000 2.223 57 N HA -0.131 4.480 4.740 -0.216 0.000 0.185 57 N C 1.696 177.192 175.510 -0.023 0.000 1.016 57 N CA 1.569 54.590 53.050 -0.049 0.000 0.863 57 N CB -0.248 38.234 38.487 -0.009 0.000 0.983 57 N HN 0.276 nan 8.380 nan 0.000 0.429 58 V N 1.526 121.429 119.914 -0.018 0.000 2.343 58 V HA -0.200 3.791 4.120 -0.216 0.000 0.247 58 V C 2.222 178.316 176.094 -0.001 0.000 1.051 58 V CA 1.166 63.473 62.300 0.013 0.000 1.036 58 V CB -0.279 31.561 31.823 0.028 0.000 0.654 58 V HN 0.121 nan 8.190 nan 0.000 0.451 59 I N -1.108 119.447 120.570 -0.025 0.000 2.226 59 I HA -0.222 3.818 4.170 -0.216 0.000 0.245 59 I C 2.289 178.468 176.117 0.104 0.000 1.100 59 I CA 1.553 62.874 61.300 0.036 0.000 1.374 59 I CB -0.725 37.268 38.000 -0.012 0.000 1.057 59 I HN 0.248 nan 8.210 nan 0.000 0.413 60 M N 0.302 119.895 119.600 -0.012 0.000 2.108 60 M HA -0.267 4.084 4.480 -0.216 0.000 0.257 60 M C 1.678 178.068 176.300 0.150 0.000 1.071 60 M CA 1.856 57.205 55.300 0.081 0.000 1.093 60 M CB -0.512 32.105 32.600 0.028 0.000 1.345 60 M HN 0.187 nan 8.290 nan 0.000 0.403 61 D N -1.503 118.942 120.400 0.076 0.000 2.194 61 D HA -0.097 4.413 4.640 -0.216 0.000 0.204 61 D C 2.078 178.389 176.300 0.019 0.000 0.964 61 D CA 0.857 54.889 54.000 0.054 0.000 0.846 61 D CB -0.345 40.474 40.800 0.031 0.000 0.962 61 D HN 0.393 nan 8.370 nan 0.000 0.490 62 R N -0.626 119.849 120.500 -0.041 0.000 2.092 62 R HA -0.089 4.122 4.340 -0.216 0.000 0.231 62 R C 0.059 176.157 176.300 -0.336 0.000 1.119 62 R CA 0.896 56.840 56.100 -0.260 0.000 0.970 62 R CB 0.096 30.132 30.300 -0.439 0.000 0.864 62 R HN 0.151 nan 8.270 nan 0.000 0.440 63 Y N 0.576 120.975 120.300 0.166 0.000 2.376 63 Y HA 0.153 4.573 4.550 -0.216 0.000 0.326 63 Y C 0.252 176.205 175.900 0.088 0.000 0.970 63 Y CA -1.194 56.984 58.100 0.129 0.000 1.248 63 Y CB 1.791 40.349 38.460 0.164 0.000 1.117 63 Y HN -0.001 nan 8.280 nan 0.000 0.476 64 D N 1.338 121.848 120.400 0.183 0.000 2.170 64 D HA -0.226 4.285 4.640 -0.216 0.000 0.193 64 D C 2.280 178.601 176.300 0.035 0.000 1.004 64 D CA 2.156 56.227 54.000 0.118 0.000 0.860 64 D CB -0.171 40.725 40.800 0.159 0.000 0.931 64 D HN 0.506 nan 8.370 nan 0.000 0.448 65 V N -1.448 118.414 119.914 -0.086 0.000 2.469 65 V HA -0.243 3.747 4.120 -0.216 0.000 0.251 65 V C 2.159 178.110 176.094 -0.237 0.000 1.064 65 V CA 1.450 63.594 62.300 -0.259 0.000 1.066 65 V CB -1.301 30.210 31.823 -0.521 0.000 0.667 65 V HN 0.073 nan 8.190 nan 0.000 0.461 66 F N 0.776 120.766 119.950 0.068 0.000 2.407 66 F HA 0.165 4.562 4.527 -0.216 0.000 0.299 66 F C 2.466 178.312 175.800 0.077 0.000 1.097 66 F CA 0.942 58.997 58.000 0.091 0.000 1.422 66 F CB -0.172 38.902 39.000 0.124 0.000 1.067 66 F HN 0.062 nan 8.300 nan 0.000 0.539 67 R N -0.448 120.154 120.500 0.169 0.000 2.466 67 R HA 0.158 4.368 4.340 -0.216 0.000 0.279 67 R C -0.157 176.102 176.300 -0.067 0.000 0.976 67 R CA 0.041 56.183 56.100 0.070 0.000 1.081 67 R CB 0.074 30.408 30.300 0.056 0.000 1.215 67 R HN -0.032 nan 8.270 nan 0.000 0.546 68 T N 1.338 115.830 114.554 -0.102 0.000 2.837 68 T HA 0.418 4.639 4.350 -0.216 0.000 0.285 68 T C -0.070 174.439 174.700 -0.318 0.000 0.984 68 T CA -0.559 61.364 62.100 -0.296 0.000 1.049 68 T CB 1.775 70.421 68.868 -0.370 0.000 0.947 68 T HN 0.027 nan 8.240 nan 0.000 0.472 69 V N 0.246 119.885 119.914 -0.458 0.000 3.141 69 V HA 0.859 4.850 4.120 -0.216 0.000 0.312 69 V C -1.509 174.281 176.094 -0.507 0.000 1.157 69 V CA -1.352 60.776 62.300 -0.287 0.000 1.041 69 V CB 1.736 33.502 31.823 -0.095 0.000 1.071 69 V HN 0.737 nan 8.190 nan 0.000 0.441 70 F N 2.163 122.112 119.950 -0.002 0.000 2.495 70 F HA 0.787 5.184 4.527 -0.216 0.000 0.327 70 F C 0.136 175.991 175.800 0.091 0.000 1.103 70 F CA -0.845 57.163 58.000 0.014 0.000 0.949 70 F CB 2.015 41.018 39.000 0.005 0.000 1.142 70 F HN 0.685 nan 8.300 nan 0.000 0.457 71 I N 0.990 121.689 120.570 0.215 0.000 2.474 71 I HA 0.492 4.533 4.170 -0.216 0.000 0.294 71 I C -0.280 175.974 176.117 0.228 0.000 1.005 71 I CA -0.428 60.970 61.300 0.163 0.000 1.113 71 I CB 1.990 40.026 38.000 0.060 0.000 1.289 71 I HN 0.861 nan 8.210 nan 0.000 0.436 72 H N 2.764 121.928 119.070 0.157 0.000 3.412 72 H HA 0.261 4.687 4.556 -0.216 0.000 0.233 72 H C -0.419 175.011 175.328 0.171 0.000 0.953 72 H CA -0.283 55.878 56.048 0.188 0.000 1.049 72 H CB 0.288 30.184 29.762 0.224 0.000 1.406 72 H HN 0.685 nan 8.280 nan 0.000 0.557 73 E N 3.784 123.636 120.200 -0.580 0.000 2.081 73 E HA 0.059 4.279 4.350 -0.216 0.000 0.270 73 E C -0.254 176.303 176.600 -0.073 0.000 1.180 73 E CA -0.068 56.155 56.400 -0.294 0.000 0.926 73 E CB 0.242 29.717 29.700 -0.375 0.000 1.035 73 E HN 0.313 nan 8.360 nan 0.000 0.418 74 K N 2.296 122.708 120.400 0.019 0.000 5.898 74 K HA -0.130 4.061 4.320 -0.216 0.000 0.595 74 K C -1.866 174.764 176.600 0.051 0.000 1.356 74 K CA 0.876 57.185 56.287 0.036 0.000 1.535 74 K CB -2.135 30.378 32.500 0.021 0.000 1.834 74 K HN 0.501 nan 8.250 nan 0.000 0.372 75 V N 0.231 120.195 119.914 0.083 0.000 2.848 75 V HA 0.200 4.190 4.120 -0.216 0.000 0.252 75 V C 1.276 177.448 176.094 0.129 0.000 1.760 75 V CA -0.273 62.090 62.300 0.104 0.000 0.901 75 V CB 0.841 32.735 31.823 0.119 0.000 1.324 75 V HN 0.642 nan 8.190 nan 0.000 0.464 76 K N 2.306 122.777 120.400 0.119 0.000 2.025 76 K HA 0.079 4.270 4.320 -0.216 0.000 0.207 76 K C 0.979 177.661 176.600 0.135 0.000 1.049 76 K CA 1.026 57.378 56.287 0.107 0.000 0.933 76 K CB 0.338 32.885 32.500 0.078 0.000 0.714 76 K HN 0.651 nan 8.250 nan 0.000 0.438 77 R N 1.461 122.062 120.500 0.168 0.000 2.562 77 R HA 0.357 4.567 4.340 -0.216 0.000 0.298 77 R C -2.698 173.774 176.300 0.287 0.000 0.961 77 R CA -2.594 53.623 56.100 0.195 0.000 0.881 77 R CB 1.713 32.048 30.300 0.059 0.000 1.159 77 R HN 0.019 nan 8.270 nan 0.000 0.450 78 P HA 0.112 nan 4.420 nan 0.000 0.272 78 P C -1.174 176.281 177.300 0.259 0.000 1.240 78 P CA -0.379 62.881 63.100 0.266 0.000 0.791 78 P CB 0.734 32.553 31.700 0.199 0.000 0.978 79 V N 1.118 121.133 119.914 0.167 0.000 2.841 79 V HA 0.271 4.261 4.120 -0.216 0.000 0.310 79 V C -0.320 175.726 176.094 -0.081 0.000 1.090 79 V CA -0.635 61.678 62.300 0.022 0.000 0.930 79 V CB 1.953 33.742 31.823 -0.056 0.000 1.014 79 V HN 0.434 nan 8.190 nan 0.000 0.425 80 Q N 2.050 121.687 119.800 -0.271 0.000 2.278 80 Q HA 0.637 4.848 4.340 -0.216 0.000 0.257 80 Q C -1.186 174.430 176.000 -0.641 0.000 0.928 80 Q CA -0.377 55.071 55.803 -0.593 0.000 0.932 80 Q CB 2.057 30.375 28.738 -0.700 0.000 1.221 80 Q HN 0.611 nan 8.270 nan 0.000 0.434 81 V N 3.766 123.336 119.914 -0.573 0.000 2.409 81 V HA 0.305 4.296 4.120 -0.216 0.000 0.291 81 V C -0.240 175.603 176.094 -0.418 0.000 1.020 81 V CA -0.836 61.203 62.300 -0.435 0.000 0.848 81 V CB 1.623 33.265 31.823 -0.301 0.000 0.990 81 V HN 0.491 nan 8.190 nan 0.000 0.430 82 V N 6.587 126.301 119.914 -0.334 0.000 2.461 82 V HA 0.379 4.369 4.120 -0.216 0.000 0.275 82 V C 0.148 176.139 176.094 -0.173 0.000 1.047 82 V CA -0.305 61.866 62.300 -0.215 0.000 0.955 82 V CB 1.253 33.021 31.823 -0.092 0.000 0.988 82 V HN 0.622 nan 8.190 nan 0.000 0.471 83 L N 4.579 125.699 121.223 -0.172 0.000 2.357 83 L HA 0.439 4.649 4.340 -0.216 0.000 0.273 83 L C 1.386 178.226 176.870 -0.051 0.000 1.080 83 L CA -0.570 54.184 54.840 -0.145 0.000 0.803 83 L CB 1.111 43.039 42.059 -0.218 0.000 1.174 83 L HN 0.592 nan 8.230 nan 0.000 0.443 84 K N 0.737 121.123 120.400 -0.023 0.000 2.097 84 K HA -0.024 4.167 4.320 -0.216 0.000 0.206 84 K C 0.081 176.697 176.600 0.027 0.000 1.049 84 K CA 1.256 57.547 56.287 0.007 0.000 0.933 84 K CB 0.131 32.639 32.500 0.014 0.000 0.717 84 K HN 0.290 nan 8.250 nan 0.000 0.442 85 K N 0.341 120.763 120.400 0.037 0.000 2.535 85 K HA 0.346 4.536 4.320 -0.216 0.000 0.251 85 K C -1.238 175.412 176.600 0.082 0.000 0.942 85 K CA -0.421 55.901 56.287 0.059 0.000 0.798 85 K CB 2.154 34.690 32.500 0.059 0.000 1.267 85 K HN -0.023 nan 8.250 nan 0.000 0.434 86 R N 1.984 122.544 120.500 0.099 0.000 2.564 86 R HA 0.227 4.437 4.340 -0.216 0.000 0.284 86 R C -0.874 175.501 176.300 0.126 0.000 1.031 86 R CA -1.049 55.130 56.100 0.133 0.000 0.904 86 R CB 2.411 32.804 30.300 0.156 0.000 1.199 86 R HN 0.416 nan 8.270 nan 0.000 0.443 87 Q N 2.692 122.558 119.800 0.111 0.000 2.278 87 Q HA 0.305 4.516 4.340 -0.216 0.000 0.257 87 Q C -1.580 174.412 176.000 -0.014 0.000 0.928 87 Q CA -0.272 55.548 55.803 0.028 0.000 0.932 87 Q CB 0.865 29.610 28.738 0.012 0.000 1.221 87 Q HN 0.523 nan 8.270 nan 0.000 0.434 88 F N 4.646 124.463 119.950 -0.221 0.000 2.420 88 F HA 0.481 4.878 4.527 -0.216 0.000 0.342 88 F C -0.703 174.876 175.800 -0.368 0.000 1.113 88 F CA -0.468 57.425 58.000 -0.178 0.000 1.059 88 F CB 0.919 39.848 39.000 -0.118 0.000 1.128 88 F HN 0.596 nan 8.300 nan 0.000 0.475 89 H N 7.028 125.836 119.070 -0.437 0.000 2.538 89 H HA 0.420 4.846 4.556 -0.216 0.000 0.353 89 H C -0.637 174.462 175.328 -0.382 0.000 1.109 89 H CA -0.667 55.229 56.048 -0.253 0.000 1.192 89 H CB 2.267 31.917 29.762 -0.187 0.000 1.555 89 H HN 0.534 nan 8.280 nan 0.000 0.518 90 I N 2.196 122.744 120.570 -0.037 0.000 2.304 90 I HA 0.032 4.072 4.170 -0.216 0.000 0.291 90 I C 0.822 176.852 176.117 -0.146 0.000 1.018 90 I CA -0.220 61.026 61.300 -0.091 0.000 1.260 90 I CB 0.935 38.866 38.000 -0.114 0.000 1.390 90 I HN 0.426 nan 8.210 nan 0.000 0.475 91 E N 7.084 127.176 120.200 -0.181 0.000 2.292 91 E HA -0.010 4.210 4.350 -0.216 0.000 0.265 91 E C -0.314 176.103 176.600 -0.306 0.000 1.093 91 E CA 0.100 56.374 56.400 -0.209 0.000 0.922 91 E CB 0.567 30.149 29.700 -0.198 0.000 1.001 91 E HN 0.496 nan 8.360 nan 0.000 0.444 92 E N 4.838 124.891 120.200 -0.245 0.000 2.175 92 E HA 0.354 4.574 4.350 -0.216 0.000 0.278 92 E C -0.979 175.482 176.600 -0.230 0.000 0.969 92 E CA -0.572 55.676 56.400 -0.254 0.000 0.796 92 E CB 0.809 30.409 29.700 -0.167 0.000 1.104 92 E HN 0.442 nan 8.360 nan 0.000 0.395 93 I N 3.222 123.628 120.570 -0.273 0.000 2.582 93 I HA 0.200 4.241 4.170 -0.216 0.000 0.292 93 I C -0.709 175.411 176.117 0.005 0.000 1.066 93 I CA -0.853 60.355 61.300 -0.153 0.000 1.053 93 I CB 2.032 39.881 38.000 -0.252 0.000 1.241 93 I HN 0.437 nan 8.210 nan 0.000 0.421 94 D N 6.629 127.072 120.400 0.072 0.000 2.280 94 D HA 0.396 4.906 4.640 -0.216 0.000 0.236 94 D C -0.155 176.231 176.300 0.143 0.000 1.082 94 D CA -0.127 53.940 54.000 0.112 0.000 0.834 94 D CB 1.548 42.414 40.800 0.111 0.000 1.100 94 D HN 0.480 nan 8.370 nan 0.000 0.486 95 L N 3.081 124.336 121.223 0.053 0.000 3.122 95 L HA 0.113 4.323 4.340 -0.216 0.000 0.274 95 L C 1.853 178.584 176.870 -0.232 0.000 1.222 95 L CA -0.173 54.580 54.840 -0.146 0.000 1.028 95 L CB 0.476 42.493 42.059 -0.070 0.000 1.386 95 L HN 0.287 nan 8.230 nan 0.000 0.578 96 T N -0.959 113.550 114.554 -0.074 0.000 2.849 96 T HA -0.191 4.029 4.350 -0.216 0.000 0.270 96 T C 1.602 176.278 174.700 -0.040 0.000 1.066 96 T CA 2.067 64.141 62.100 -0.044 0.000 1.130 96 T CB -0.318 68.562 68.868 0.019 0.000 0.864 96 T HN 0.645 nan 8.240 nan 0.000 0.481 97 H N -0.243 118.826 119.070 -0.002 0.000 2.555 97 H HA 0.374 4.801 4.556 -0.216 0.000 0.269 97 H C 0.591 175.918 175.328 -0.002 0.000 0.988 97 H CA -0.022 56.025 56.048 -0.001 0.000 1.178 97 H CB -0.447 29.317 29.762 0.004 0.000 1.373 97 H HN 0.261 nan 8.280 nan 0.000 0.588 98 L N 0.646 121.686 121.223 -0.305 0.000 2.358 98 L HA 0.349 4.559 4.340 -0.216 0.000 0.268 98 L C 0.295 177.101 176.870 -0.107 0.000 1.032 98 L CA -1.167 53.556 54.840 -0.194 0.000 0.805 98 L CB 1.655 43.553 42.059 -0.267 0.000 1.253 98 L HN 0.110 nan 8.230 nan 0.000 0.452 99 T N 0.294 114.807 114.554 -0.069 0.000 2.748 99 T HA 0.054 4.275 4.350 -0.216 0.000 0.304 99 T C 1.283 175.945 174.700 -0.062 0.000 1.041 99 T CA 0.279 62.348 62.100 -0.051 0.000 1.033 99 T CB 1.260 70.108 68.868 -0.035 0.000 0.995 99 T HN 0.852 nan 8.240 nan 0.000 0.536 100 G N 1.243 110.013 108.800 -0.050 0.000 2.553 100 G HA2 -0.287 3.543 3.960 -0.216 0.000 0.218 100 G HA3 -0.287 3.543 3.960 -0.216 0.000 0.218 100 G C 1.914 176.781 174.900 -0.056 0.000 1.195 100 G CA 1.357 46.426 45.100 -0.051 0.000 0.779 100 G HN 0.784 nan 8.290 nan 0.000 0.577 101 S N 0.756 116.428 115.700 -0.046 0.000 2.370 101 S HA -0.130 4.210 4.470 -0.216 0.000 0.226 101 S C 2.009 176.576 174.600 -0.054 0.000 1.033 101 S CA 1.817 59.989 58.200 -0.045 0.000 1.011 101 S CB -0.493 62.687 63.200 -0.033 0.000 0.852 101 S HN 0.622 nan 8.310 nan 0.000 0.457 102 E N 1.442 121.610 120.200 -0.054 0.000 2.077 102 E HA -0.179 4.041 4.350 -0.216 0.000 0.193 102 E C 2.527 179.076 176.600 -0.086 0.000 0.989 102 E CA 1.432 57.797 56.400 -0.059 0.000 0.800 102 E CB -0.268 29.399 29.700 -0.056 0.000 0.746 102 E HN 0.669 nan 8.360 nan 0.000 0.452 103 Q N 0.021 119.759 119.800 -0.103 0.000 2.084 103 Q HA -0.139 4.071 4.340 -0.216 0.000 0.202 103 Q C 2.281 178.191 176.000 -0.150 0.000 0.978 103 Q CA 1.786 57.512 55.803 -0.130 0.000 0.844 103 Q CB -0.116 28.552 28.738 -0.116 0.000 0.898 103 Q HN 0.228 nan 8.270 nan 0.000 0.426 104 T N 0.719 115.203 114.554 -0.116 0.000 2.788 104 T HA -0.142 4.078 4.350 -0.216 0.000 0.268 104 T C 1.850 176.481 174.700 -0.115 0.000 1.044 104 T CA 1.199 63.230 62.100 -0.116 0.000 1.139 104 T CB -0.226 68.592 68.868 -0.083 0.000 0.867 104 T HN 0.392 nan 8.240 nan 0.000 0.454 105 A N 1.137 123.903 122.820 -0.090 0.000 1.930 105 A HA -0.014 4.176 4.320 -0.216 0.000 0.217 105 A C 2.238 179.777 177.584 -0.076 0.000 1.175 105 A CA 1.572 53.567 52.037 -0.070 0.000 0.627 105 A CB -0.369 18.602 19.000 -0.048 0.000 0.815 105 A HN 0.321 nan 8.150 nan 0.000 0.443 106 K N -0.050 120.291 120.400 -0.098 0.000 2.057 106 K HA 0.069 4.260 4.320 -0.216 0.000 0.206 106 K C 1.636 178.142 176.600 -0.156 0.000 1.050 106 K CA 1.260 57.496 56.287 -0.085 0.000 0.935 106 K CB -0.371 32.085 32.500 -0.073 0.000 0.715 106 K HN 0.521 nan 8.250 nan 0.000 0.439 107 I N 1.087 121.459 120.570 -0.331 0.000 2.226 107 I HA -0.301 3.739 4.170 -0.216 0.000 0.245 107 I C 1.562 177.585 176.117 -0.157 0.000 1.100 107 I CA 1.001 62.009 61.300 -0.487 0.000 1.374 107 I CB -0.339 37.320 38.000 -0.568 0.000 1.057 107 I HN 0.207 nan 8.210 nan 0.000 0.413 108 N N 0.624 119.254 118.700 -0.118 0.000 2.223 108 N HA -0.226 4.385 4.740 -0.216 0.000 0.185 108 N C 1.722 177.206 175.510 -0.043 0.000 1.016 108 N CA 1.136 54.144 53.050 -0.071 0.000 0.863 108 N CB -0.271 38.172 38.487 -0.073 0.000 0.983 108 N HN 0.497 nan 8.380 nan 0.000 0.429 109 E N -0.125 120.060 120.200 -0.025 0.000 2.028 109 E HA -0.224 3.996 4.350 -0.216 0.000 0.191 109 E C 1.900 178.524 176.600 0.041 0.000 0.988 109 E CA 0.742 57.144 56.400 0.003 0.000 0.799 109 E CB -0.255 29.457 29.700 0.020 0.000 0.755 109 E HN 0.411 nan 8.360 nan 0.000 0.447 110 Y N 1.662 121.959 120.300 -0.006 0.000 2.165 110 Y HA -0.230 4.190 4.550 -0.216 0.000 0.286 110 Y C 2.060 177.981 175.900 0.035 0.000 1.155 110 Y CA 2.116 60.262 58.100 0.077 0.000 1.164 110 Y CB -0.043 38.577 38.460 0.266 0.000 0.978 110 Y HN -0.070 nan 8.280 nan 0.000 0.513 111 K N -0.151 120.262 120.400 0.022 0.000 2.032 111 K HA -0.197 3.993 4.320 -0.216 0.000 0.209 111 K C 2.041 178.502 176.600 -0.231 0.000 1.048 111 K CA 1.654 57.880 56.287 -0.102 0.000 0.927 111 K CB -0.173 32.307 32.500 -0.034 0.000 0.712 111 K HN 0.392 nan 8.250 nan 0.000 0.441 112 E N 0.580 120.673 120.200 -0.178 0.000 2.107 112 E HA -0.142 4.078 4.350 -0.216 0.000 0.191 112 E C 2.140 178.632 176.600 -0.179 0.000 0.982 112 E CA 0.731 57.024 56.400 -0.178 0.000 0.809 112 E CB 0.107 29.734 29.700 -0.121 0.000 0.756 112 E HN 0.240 nan 8.360 nan 0.000 0.459 113 Q N 0.848 120.539 119.800 -0.182 0.000 2.061 113 Q HA -0.191 4.020 4.340 -0.216 0.000 0.204 113 Q C 1.788 177.635 176.000 -0.254 0.000 0.984 113 Q CA 1.548 57.241 55.803 -0.183 0.000 0.846 113 Q CB -0.401 28.240 28.738 -0.161 0.000 0.902 113 Q HN 0.249 nan 8.270 nan 0.000 0.421 114 D N 0.020 120.183 120.400 -0.395 0.000 2.123 114 D HA -0.133 4.378 4.640 -0.216 0.000 0.196 114 D C 1.685 177.824 176.300 -0.269 0.000 0.992 114 D CA 1.291 55.046 54.000 -0.407 0.000 0.833 114 D CB 0.169 40.648 40.800 -0.536 0.000 0.954 114 D HN 0.107 nan 8.370 nan 0.000 0.455 115 K N -0.196 120.051 120.400 -0.254 0.000 2.148 115 K HA -0.072 4.118 4.320 -0.216 0.000 0.204 115 K C 2.284 178.800 176.600 -0.139 0.000 1.050 115 K CA 1.269 57.425 56.287 -0.219 0.000 0.942 115 K CB -0.163 32.141 32.500 -0.327 0.000 0.724 115 K HN 0.468 nan 8.250 nan 0.000 0.446 116 I N -2.107 118.384 120.570 -0.131 0.000 2.703 116 I HA -0.053 3.987 4.170 -0.216 0.000 0.259 116 I C 2.418 178.496 176.117 -0.066 0.000 1.151 116 I CA 0.542 61.796 61.300 -0.077 0.000 1.470 116 I CB -0.208 37.752 38.000 -0.066 0.000 1.112 116 I HN -0.059 nan 8.210 nan 0.000 0.437 117 R N 2.076 122.509 120.500 -0.111 0.000 2.091 117 R HA -0.000 4.210 4.340 -0.216 0.000 0.238 117 R C 1.434 177.679 176.300 -0.091 0.000 1.136 117 R CA 1.453 57.486 56.100 -0.111 0.000 0.959 117 R CB -0.633 29.562 30.300 -0.175 0.000 0.856 117 R HN 0.628 nan 8.270 nan 0.000 0.437 118 G N -0.811 107.920 108.800 -0.115 0.000 2.682 118 G HA2 -0.324 3.507 3.960 -0.216 0.000 0.256 118 G HA3 -0.324 3.507 3.960 -0.216 0.000 0.256 118 G C -0.481 174.313 174.900 -0.177 0.000 1.333 118 G CA 0.083 45.166 45.100 -0.027 0.000 0.904 118 G HN 0.276 nan 8.290 nan 0.000 0.569 119 F N -0.026 120.054 119.950 0.218 0.000 2.522 119 F HA 0.526 4.923 4.527 -0.216 0.000 0.324 119 F C 0.185 176.087 175.800 0.169 0.000 1.077 119 F CA -0.435 57.692 58.000 0.213 0.000 0.944 119 F CB 2.148 41.320 39.000 0.288 0.000 1.175 119 F HN 0.406 nan 8.300 nan 0.000 0.468 120 D N 2.850 123.447 120.400 0.327 0.000 2.467 120 D HA 0.237 4.747 4.640 -0.216 0.000 0.220 120 D C 0.707 177.167 176.300 0.265 0.000 1.103 120 D CA 0.048 54.195 54.000 0.244 0.000 0.886 120 D CB 0.681 41.597 40.800 0.193 0.000 1.025 120 D HN 0.511 nan 8.370 nan 0.000 0.514 121 L N 2.355 123.700 121.223 0.203 0.000 2.456 121 L HA -0.085 4.125 4.340 -0.216 0.000 0.224 121 L C 2.097 179.175 176.870 0.347 0.000 1.148 121 L CA 0.592 55.556 54.840 0.206 0.000 0.825 121 L CB -0.244 41.745 42.059 -0.117 0.000 0.937 121 L HN 0.341 nan 8.230 nan 0.000 0.450 122 T N 0.292 115.029 114.554 0.304 0.000 2.803 122 T HA -0.164 4.056 4.350 -0.216 0.000 0.269 122 T C 1.645 176.553 174.700 0.347 0.000 1.052 122 T CA 1.856 64.145 62.100 0.314 0.000 1.136 122 T CB -0.013 69.014 68.868 0.267 0.000 0.864 122 T HN 0.547 nan 8.240 nan 0.000 0.467 123 R N -0.665 120.041 120.500 0.344 0.000 3.001 123 R HA 0.239 4.450 4.340 -0.216 0.000 0.160 123 R C -0.303 176.231 176.300 0.390 0.000 0.830 123 R CA -0.381 55.967 56.100 0.415 0.000 1.363 123 R CB -0.045 30.398 30.300 0.237 0.000 1.669 123 R HN 0.085 nan 8.270 nan 0.000 0.553 124 D N 2.578 123.175 120.400 0.328 0.000 2.400 124 D HA 0.116 4.626 4.640 -0.216 0.000 0.238 124 D C 0.307 176.820 176.300 0.354 0.000 1.157 124 D CA 0.147 54.351 54.000 0.340 0.000 0.889 124 D CB 0.814 41.859 40.800 0.409 0.000 1.199 124 D HN 0.105 nan 8.370 nan 0.000 0.436 125 I N 3.164 123.939 120.570 0.342 0.000 2.598 125 I HA -0.014 4.027 4.170 -0.216 0.000 0.284 125 I C -1.323 175.030 176.117 0.392 0.000 1.140 125 I CA -1.202 60.305 61.300 0.345 0.000 1.420 125 I CB 0.409 38.618 38.000 0.348 0.000 1.387 125 I HN 0.110 nan 8.210 nan 0.000 0.553 126 P HA 0.046 nan 4.420 nan 0.000 0.271 126 P C -0.373 176.839 177.300 -0.147 0.000 1.535 126 P CA 0.431 63.471 63.100 -0.100 0.000 0.820 126 P CB 0.094 31.812 31.700 0.030 0.000 1.606 127 M N 0.706 120.506 119.600 0.333 0.000 2.426 127 M HA 0.403 4.753 4.480 -0.216 0.000 0.289 127 M C -1.821 174.913 176.300 0.723 0.000 1.168 127 M CA -0.621 55.039 55.300 0.600 0.000 0.933 127 M CB 2.756 35.732 32.600 0.626 0.000 1.750 127 M HN -0.148 nan 8.290 nan 0.000 0.494 128 R N 3.011 123.933 120.500 0.704 0.000 2.817 128 R HA 0.997 5.207 4.340 -0.216 0.000 0.268 128 R C -2.058 174.476 176.300 0.391 0.000 1.027 128 R CA -0.962 55.391 56.100 0.422 0.000 0.928 128 R CB 2.061 32.513 30.300 0.252 0.000 1.228 128 R HN 0.726 nan 8.270 nan 0.000 0.469 129 A N 0.610 123.566 122.820 0.226 0.000 2.427 129 A HA 0.773 4.963 4.320 -0.216 0.000 0.298 129 A C -1.392 176.207 177.584 0.025 0.000 1.036 129 A CA -0.435 51.691 52.037 0.149 0.000 0.701 129 A CB 1.932 20.928 19.000 -0.007 0.000 1.250 129 A HN 0.970 nan 8.150 nan 0.000 0.412 130 A N 2.244 125.068 122.820 0.006 0.000 2.342 130 A HA 0.837 5.027 4.320 -0.216 0.000 0.323 130 A C -0.741 176.637 177.584 -0.344 0.000 1.125 130 A CA -0.422 51.409 52.037 -0.344 0.000 0.785 130 A CB 0.626 19.147 19.000 -0.799 0.000 1.221 130 A HN 0.781 nan 8.150 nan 0.000 0.463 131 I N 1.583 121.835 120.570 -0.530 0.000 2.436 131 I HA 0.380 4.420 4.170 -0.216 0.000 0.289 131 I C -1.449 174.423 176.117 -0.408 0.000 1.010 131 I CA -0.189 60.877 61.300 -0.391 0.000 1.098 131 I CB 1.746 39.440 38.000 -0.510 0.000 1.266 131 I HN 0.575 nan 8.210 nan 0.000 0.434 132 F N 5.130 125.088 119.950 0.014 0.000 2.402 132 F HA 0.375 4.773 4.527 -0.216 0.000 0.355 132 F C 0.382 176.253 175.800 0.118 0.000 1.123 132 F CA -0.742 57.275 58.000 0.028 0.000 1.021 132 F CB 1.508 40.506 39.000 -0.003 0.000 1.160 132 F HN 0.313 nan 8.300 nan 0.000 0.451 133 K N 4.157 124.703 120.400 0.243 0.000 2.285 133 K HA 0.228 4.419 4.320 -0.216 0.000 0.286 133 K C 0.474 177.053 176.600 -0.035 0.000 1.072 133 K CA -0.202 56.133 56.287 0.081 0.000 0.913 133 K CB 0.722 33.276 32.500 0.090 0.000 1.067 133 K HN 0.661 nan 8.250 nan 0.000 0.479 134 K N 2.172 122.483 120.400 -0.148 0.000 2.244 134 K HA 0.158 4.349 4.320 -0.216 0.000 0.200 134 K C 0.250 176.761 176.600 -0.149 0.000 1.052 134 K CA 0.334 56.550 56.287 -0.118 0.000 0.980 134 K CB 0.778 33.223 32.500 -0.092 0.000 0.838 134 K HN 0.619 nan 8.250 nan 0.000 0.481 135 A N 0.318 122.998 122.820 -0.234 0.000 2.534 135 A HA 0.295 4.485 4.320 -0.216 0.000 0.300 135 A C -0.048 177.377 177.584 -0.266 0.000 1.223 135 A CA -0.449 51.476 52.037 -0.187 0.000 0.666 135 A CB 0.913 19.832 19.000 -0.136 0.000 1.316 135 A HN -0.063 nan 8.150 nan 0.000 0.468 136 E N -0.153 119.945 120.200 -0.169 0.000 2.072 136 E HA -0.039 4.182 4.350 -0.216 0.000 0.191 136 E C 0.548 177.041 176.600 -0.178 0.000 0.985 136 E CA 1.818 58.136 56.400 -0.136 0.000 0.801 136 E CB 0.107 29.777 29.700 -0.050 0.000 0.750 136 E HN 0.588 nan 8.360 nan 0.000 0.452 137 E N -0.539 119.558 120.200 -0.170 0.000 2.939 137 E HA 0.210 4.430 4.350 -0.216 0.000 0.215 137 E C -1.043 175.430 176.600 -0.213 0.000 1.025 137 E CA -0.181 56.154 56.400 -0.109 0.000 1.259 137 E CB 0.964 30.685 29.700 0.035 0.000 1.228 137 E HN -0.126 nan 8.360 nan 0.000 0.443 138 S N 0.643 116.009 115.700 -0.556 0.000 2.707 138 S HA 0.578 4.919 4.470 -0.216 0.000 0.303 138 S C -1.275 172.933 174.600 -0.653 0.000 1.132 138 S CA -0.544 57.420 58.200 -0.393 0.000 1.046 138 S CB 0.274 63.349 63.200 -0.208 0.000 1.004 138 S HN 0.120 nan 8.310 nan 0.000 0.483 139 F N 2.002 121.973 119.950 0.035 0.000 2.576 139 F HA 0.572 4.970 4.527 -0.216 0.000 0.313 139 F C 0.247 176.115 175.800 0.114 0.000 1.078 139 F CA -0.802 57.226 58.000 0.048 0.000 0.921 139 F CB 1.944 40.932 39.000 -0.020 0.000 1.232 139 F HN 0.464 nan 8.300 nan 0.000 0.459 140 E N 1.371 121.794 120.200 0.372 0.000 2.199 140 E HA 0.306 4.527 4.350 -0.216 0.000 0.269 140 E C -1.976 174.929 176.600 0.509 0.000 0.899 140 E CA -0.738 55.881 56.400 0.365 0.000 0.772 140 E CB 1.603 31.436 29.700 0.221 0.000 1.155 140 E HN 0.542 nan 8.360 nan 0.000 0.408 141 W N 5.631 127.088 121.300 0.262 0.000 2.554 141 W HA 0.446 4.976 4.660 -0.216 0.000 0.324 141 W C -1.984 174.735 176.519 0.333 0.000 1.018 141 W CA -0.937 56.553 57.345 0.242 0.000 1.243 141 W CB 1.065 30.651 29.460 0.210 0.000 1.345 141 W HN 0.207 nan 8.180 nan 0.000 0.441 142 V N 7.456 127.810 119.914 0.733 0.000 2.313 142 V HA 0.248 4.239 4.120 -0.216 0.000 0.278 142 V C -0.689 175.769 176.094 0.606 0.000 1.017 142 V CA -0.471 62.180 62.300 0.585 0.000 0.823 142 V CB 0.200 32.370 31.823 0.579 0.000 1.010 142 V HN 0.390 nan 8.190 nan 0.000 0.443 143 W N 2.601 124.074 121.300 0.288 0.000 2.376 143 W HA 0.676 5.207 4.660 -0.216 0.000 0.322 143 W C 0.454 177.143 176.519 0.282 0.000 1.160 143 W CA -0.180 57.366 57.345 0.335 0.000 1.218 143 W CB 1.535 31.170 29.460 0.292 0.000 1.205 143 W HN 0.416 nan 8.180 nan 0.000 0.559 144 S N 2.243 118.340 115.700 0.662 0.000 2.547 144 S HA 0.653 4.994 4.470 -0.216 0.000 0.281 144 S C -1.499 173.548 174.600 0.744 0.000 1.118 144 S CA -0.762 57.757 58.200 0.530 0.000 0.947 144 S CB 1.178 64.646 63.200 0.446 0.000 1.053 144 S HN 0.358 nan 8.310 nan 0.000 0.482 145 Y N -0.624 119.953 120.300 0.462 0.000 2.597 145 Y HA 0.609 5.030 4.550 -0.216 0.000 0.340 145 Y C -0.909 175.034 175.900 0.072 0.000 1.097 145 Y CA -1.223 57.011 58.100 0.224 0.000 1.037 145 Y CB 0.825 39.458 38.460 0.288 0.000 1.305 145 Y HN 0.624 nan 8.280 nan 0.000 0.463 146 H N 2.031 121.061 119.070 -0.066 0.000 2.527 146 H HA 0.158 4.584 4.556 -0.216 0.000 0.321 146 H C 0.331 175.841 175.328 0.303 0.000 1.087 146 H CA 0.284 56.357 56.048 0.041 0.000 1.337 146 H CB 1.122 30.777 29.762 -0.177 0.000 1.440 146 H HN 1.020 nan 8.280 nan 0.000 0.490 147 H N 4.523 123.712 119.070 0.197 0.000 2.518 147 H HA -0.109 4.317 4.556 -0.216 0.000 0.292 147 H C 2.062 177.513 175.328 0.205 0.000 1.068 147 H CA 1.110 57.312 56.048 0.258 0.000 1.275 147 H CB -0.002 29.877 29.762 0.195 0.000 1.375 147 H HN 0.710 nan 8.280 nan 0.000 0.563 148 I N 0.256 121.038 120.570 0.354 0.000 2.454 148 I HA -0.232 3.808 4.170 -0.216 0.000 0.254 148 I C 0.946 177.046 176.117 -0.028 0.000 1.156 148 I CA 1.317 62.618 61.300 0.001 0.000 1.433 148 I CB 0.100 37.925 38.000 -0.293 0.000 1.082 148 I HN 0.271 nan 8.210 nan 0.000 0.432 149 I N -2.180 118.392 120.570 0.003 0.000 4.154 149 I HA 0.392 4.432 4.170 -0.216 0.000 0.334 149 I C -0.201 175.745 176.117 -0.285 0.000 1.371 149 I CA 0.025 61.229 61.300 -0.160 0.000 1.110 149 I CB 0.199 38.119 38.000 -0.134 0.000 1.085 149 I HN -0.162 nan 8.210 nan 0.000 0.398 150 L N 0.956 122.097 121.223 -0.136 0.000 2.582 150 L HA 0.471 4.681 4.340 -0.216 0.000 0.257 150 L C -1.916 175.029 176.870 0.126 0.000 0.974 150 L CA -0.700 54.051 54.840 -0.149 0.000 0.851 150 L CB 2.696 44.515 42.059 -0.399 0.000 1.424 150 L HN 0.262 nan 8.230 nan 0.000 0.412 151 D N -0.106 120.392 120.400 0.163 0.000 2.423 151 D HA 0.427 4.937 4.640 -0.216 0.000 0.235 151 D C 0.974 177.477 176.300 0.338 0.000 1.011 151 D CA -0.217 54.028 54.000 0.408 0.000 0.963 151 D CB 1.586 42.595 40.800 0.348 0.000 1.349 151 D HN 0.514 nan 8.370 nan 0.000 0.508 152 G N -0.165 108.842 108.800 0.344 0.000 2.547 152 G HA2 -0.336 3.494 3.960 -0.216 0.000 0.221 152 G HA3 -0.336 3.494 3.960 -0.216 0.000 0.221 152 G C 0.968 176.040 174.900 0.288 0.000 1.140 152 G CA 0.818 46.075 45.100 0.261 0.000 0.760 152 G HN 0.681 nan 8.290 nan 0.000 0.583 153 W N 0.571 121.929 121.300 0.098 0.000 2.353 153 W HA -0.197 4.334 4.660 -0.216 0.000 0.319 153 W C 2.480 179.017 176.519 0.030 0.000 1.207 153 W CA 1.551 58.930 57.345 0.056 0.000 1.291 153 W CB -0.753 28.723 29.460 0.028 0.000 1.159 153 W HN 0.283 nan 8.180 nan 0.000 0.478 154 C N 0.682 119.999 119.300 0.028 0.000 2.391 154 C HA -0.296 4.034 4.460 -0.216 0.000 0.276 154 C C 2.525 177.376 174.990 -0.231 0.000 1.217 154 C CA 1.448 60.365 59.018 -0.168 0.000 1.766 154 C CB -2.075 25.628 27.740 -0.061 0.000 2.046 154 C HN 0.512 nan 8.230 nan 0.000 0.475 155 F N 2.156 121.945 119.950 -0.269 0.000 2.115 155 F HA -0.102 4.295 4.527 -0.216 0.000 0.300 155 F C 2.186 177.757 175.800 -0.381 0.000 1.092 155 F CA 1.823 59.621 58.000 -0.336 0.000 1.245 155 F CB -0.829 38.030 39.000 -0.235 0.000 0.995 155 F HN 0.219 nan 8.300 nan 0.000 0.481 156 G N 0.422 109.008 108.800 -0.356 0.000 2.408 156 G HA2 -0.197 3.634 3.960 -0.216 0.000 0.217 156 G HA3 -0.197 3.634 3.960 -0.216 0.000 0.217 156 G C 1.595 176.195 174.900 -0.500 0.000 1.150 156 G CA 0.883 45.707 45.100 -0.460 0.000 0.776 156 G HN 0.329 nan 8.290 nan 0.000 0.542 157 I N 1.110 121.385 120.570 -0.492 0.000 2.286 157 I HA -0.095 3.945 4.170 -0.216 0.000 0.248 157 I C 2.908 178.836 176.117 -0.316 0.000 1.115 157 I CA 0.445 61.520 61.300 -0.375 0.000 1.392 157 I CB -1.129 36.667 38.000 -0.341 0.000 1.065 157 I HN 0.035 nan 8.210 nan 0.000 0.418 158 V N 0.242 119.906 119.914 -0.417 0.000 2.307 158 V HA -0.197 3.793 4.120 -0.216 0.000 0.245 158 V C 2.658 178.496 176.094 -0.427 0.000 1.045 158 V CA 1.195 63.289 62.300 -0.343 0.000 1.024 158 V CB -0.508 31.108 31.823 -0.345 0.000 0.651 158 V HN 0.176 nan 8.190 nan 0.000 0.449 159 V N -0.376 119.095 119.914 -0.738 0.000 2.332 159 V HA -0.347 3.644 4.120 -0.216 0.000 0.248 159 V C 2.439 178.078 176.094 -0.759 0.000 1.055 159 V CA 2.318 64.087 62.300 -0.885 0.000 1.038 159 V CB -0.657 30.509 31.823 -1.095 0.000 0.651 159 V HN 0.591 nan 8.190 nan 0.000 0.450 160 Q N -0.275 119.244 119.800 -0.468 0.000 2.045 160 Q HA -0.288 3.922 4.340 -0.216 0.000 0.206 160 Q C 2.059 177.979 176.000 -0.133 0.000 0.991 160 Q CA 2.303 57.964 55.803 -0.237 0.000 0.851 160 Q CB -0.185 28.444 28.738 -0.181 0.000 0.911 160 Q HN 0.624 nan 8.270 nan 0.000 0.418 161 D N 0.281 120.612 120.400 -0.116 0.000 2.178 161 D HA -0.160 4.350 4.640 -0.216 0.000 0.201 161 D C 1.823 178.102 176.300 -0.036 0.000 0.980 161 D CA 0.611 54.592 54.000 -0.031 0.000 0.842 161 D CB -0.211 40.623 40.800 0.056 0.000 0.948 161 D HN 0.201 nan 8.370 nan 0.000 0.472 162 L N -0.377 120.779 121.223 -0.112 0.000 2.083 162 L HA -0.080 4.131 4.340 -0.216 0.000 0.209 162 L C 1.991 178.964 176.870 0.172 0.000 1.083 162 L CA 1.526 56.341 54.840 -0.042 0.000 0.752 162 L CB -0.559 41.424 42.059 -0.125 0.000 0.899 162 L HN 0.017 nan 8.230 nan 0.000 0.433 163 F N -1.032 118.968 119.950 0.083 0.000 2.234 163 F HA -0.120 4.277 4.527 -0.216 0.000 0.296 163 F C 2.296 178.155 175.800 0.100 0.000 1.089 163 F CA 0.041 58.131 58.000 0.150 0.000 1.343 163 F CB -0.099 38.965 39.000 0.106 0.000 1.040 163 F HN -0.012 nan 8.300 nan 0.000 0.498 164 K N 0.859 121.375 120.400 0.193 0.000 2.020 164 K HA -0.159 4.032 4.320 -0.216 0.000 0.212 164 K C 1.880 178.453 176.600 -0.045 0.000 1.050 164 K CA 1.267 57.593 56.287 0.065 0.000 0.929 164 K CB -0.909 31.607 32.500 0.026 0.000 0.714 164 K HN -0.001 nan 8.250 nan 0.000 0.443 165 V N 0.202 120.034 119.914 -0.137 0.000 2.255 165 V HA -0.295 3.696 4.120 -0.216 0.000 0.247 165 V C 1.998 177.997 176.094 -0.159 0.000 1.051 165 V CA 2.105 64.169 62.300 -0.394 0.000 1.018 165 V CB -0.647 30.962 31.823 -0.358 0.000 0.641 165 V HN 0.310 nan 8.190 nan 0.000 0.445 166 Y N 2.096 122.370 120.300 -0.044 0.000 2.069 166 Y HA -0.317 4.104 4.550 -0.216 0.000 0.278 166 Y C 2.484 178.385 175.900 0.001 0.000 1.175 166 Y CA 2.320 60.439 58.100 0.032 0.000 1.134 166 Y CB -0.507 38.073 38.460 0.200 0.000 0.965 166 Y HN 0.323 nan 8.280 nan 0.000 0.498 167 N N 0.161 118.813 118.700 -0.081 0.000 2.331 167 N HA -0.089 4.522 4.740 -0.216 0.000 0.180 167 N C 1.913 177.330 175.510 -0.154 0.000 1.019 167 N CA 1.168 54.115 53.050 -0.173 0.000 0.881 167 N CB -0.579 37.895 38.487 -0.022 0.000 0.972 167 N HN 0.545 nan 8.380 nan 0.000 0.435 168 A N 1.269 124.018 122.820 -0.119 0.000 1.854 168 A HA 0.012 4.203 4.320 -0.216 0.000 0.214 168 A C 2.345 179.895 177.584 -0.057 0.000 1.192 168 A CA 0.757 52.764 52.037 -0.049 0.000 0.611 168 A CB -0.679 18.312 19.000 -0.015 0.000 0.832 168 A HN 0.158 nan 8.150 nan 0.000 0.442 169 L N -0.070 121.080 121.223 -0.122 0.000 2.056 169 L HA -0.181 4.029 4.340 -0.216 0.000 0.207 169 L C 2.819 179.616 176.870 -0.121 0.000 1.078 169 L CA 1.673 56.465 54.840 -0.080 0.000 0.749 169 L CB -0.565 41.445 42.059 -0.081 0.000 0.901 169 L HN 0.570 nan 8.230 nan 0.000 0.433 170 R N 0.555 120.908 120.500 -0.245 0.000 2.189 170 R HA -0.132 4.078 4.340 -0.216 0.000 0.223 170 R C 1.098 177.311 176.300 -0.145 0.000 1.092 170 R CA 1.243 57.199 56.100 -0.240 0.000 0.989 170 R CB -0.243 29.795 30.300 -0.436 0.000 0.876 170 R HN 0.359 nan 8.270 nan 0.000 0.457 171 E N 0.813 120.940 120.200 -0.121 0.000 2.465 171 E HA 0.056 4.277 4.350 -0.216 0.000 0.195 171 E C -0.475 176.105 176.600 -0.035 0.000 1.028 171 E CA -0.246 56.114 56.400 -0.067 0.000 0.899 171 E CB 0.552 30.215 29.700 -0.061 0.000 1.032 171 E HN 0.164 nan 8.360 nan 0.000 0.468 172 Q N 0.138 119.922 119.800 -0.027 0.000 2.452 172 Q HA -0.229 3.981 4.340 -0.216 0.000 0.318 172 Q C -0.662 175.347 176.000 0.014 0.000 1.386 172 Q CA 1.080 56.883 55.803 -0.000 0.000 0.872 172 Q CB -1.403 27.331 28.738 -0.006 0.000 1.151 172 Q HN 0.220 nan 8.270 nan 0.000 0.417 173 K N 0.520 120.942 120.400 0.036 0.000 2.318 173 K HA 0.582 4.773 4.320 -0.216 0.000 0.249 173 K C -2.327 174.332 176.600 0.099 0.000 0.942 173 K CA -1.933 54.382 56.287 0.046 0.000 0.808 173 K CB 1.552 34.072 32.500 0.034 0.000 1.189 173 K HN -0.155 nan 8.250 nan 0.000 0.428 174 P HA 0.152 nan 4.420 nan 0.000 0.274 174 P C -1.530 175.848 177.300 0.131 0.000 1.256 174 P CA -0.042 63.074 63.100 0.028 0.000 0.795 174 P CB 0.220 31.900 31.700 -0.033 0.000 1.038 175 Y N -3.156 117.136 120.300 -0.013 0.000 2.689 175 Y HA 0.740 5.160 4.550 -0.216 0.000 0.333 175 Y C -1.366 174.525 175.900 -0.014 0.000 1.208 175 Y CA -1.243 56.851 58.100 -0.011 0.000 1.055 175 Y CB 0.814 39.272 38.460 -0.004 0.000 1.304 175 Y HN 0.435 nan 8.280 nan 0.000 0.455 176 S N 1.317 117.116 115.700 0.165 0.000 2.592 176 S HA 0.746 5.087 4.470 -0.216 0.000 0.275 176 S C -1.822 172.842 174.600 0.107 0.000 1.169 176 S CA -0.793 57.442 58.200 0.058 0.000 0.958 176 S CB 0.996 64.191 63.200 -0.009 0.000 1.095 176 S HN 0.858 nan 8.310 nan 0.000 0.471 177 L N 2.417 123.694 121.223 0.089 0.000 2.334 177 L HA 0.694 4.905 4.340 -0.216 0.000 0.273 177 L C -2.234 174.633 176.870 -0.006 0.000 1.013 177 L CA -2.179 52.689 54.840 0.048 0.000 0.816 177 L CB 1.291 43.384 42.059 0.055 0.000 1.278 177 L HN 0.490 nan 8.230 nan 0.000 0.431 178 P HA 0.297 nan 4.420 nan 0.000 0.274 178 P C -2.554 174.713 177.300 -0.055 0.000 1.231 178 P CA -1.280 61.787 63.100 -0.056 0.000 0.790 178 P CB -0.423 31.217 31.700 -0.100 0.000 0.951 179 P HA 0.002 nan 4.420 nan 0.000 0.264 179 P C -0.640 176.645 177.300 -0.025 0.000 1.183 179 P CA 0.228 63.306 63.100 -0.036 0.000 0.763 179 P CB 0.273 31.959 31.700 -0.023 0.000 0.807 180 V N 4.374 124.277 119.914 -0.020 0.000 2.384 180 V HA 0.200 4.191 4.120 -0.216 0.000 0.287 180 V C 0.319 176.452 176.094 0.065 0.000 1.020 180 V CA -0.896 61.424 62.300 0.032 0.000 0.850 180 V CB 1.144 32.961 31.823 -0.011 0.000 0.987 180 V HN 0.430 nan 8.190 nan 0.000 0.436 181 K N 8.697 129.159 120.400 0.103 0.000 2.379 181 K HA 0.331 4.521 4.320 -0.216 0.000 0.284 181 K C -2.254 174.430 176.600 0.141 0.000 1.044 181 K CA -1.221 55.127 56.287 0.102 0.000 0.974 181 K CB 0.856 33.419 32.500 0.105 0.000 0.962 181 K HN 0.454 nan 8.250 nan 0.000 0.474 182 P HA -0.066 nan 4.420 nan 0.000 0.274 182 P C -0.179 177.223 177.300 0.170 0.000 1.231 182 P CA -0.140 63.042 63.100 0.136 0.000 0.790 182 P CB 0.492 32.232 31.700 0.067 0.000 0.951 183 Y N 2.627 122.971 120.300 0.072 0.000 2.274 183 Y HA -0.191 4.230 4.550 -0.216 0.000 0.290 183 Y C 2.486 178.347 175.900 -0.065 0.000 1.145 183 Y CA 1.817 59.958 58.100 0.069 0.000 1.203 183 Y CB -0.437 38.068 38.460 0.074 0.000 0.984 183 Y HN 0.340 nan 8.280 nan 0.000 0.533 184 K N 0.066 120.281 120.400 -0.309 0.000 2.173 184 K HA -0.253 3.938 4.320 -0.216 0.000 0.207 184 K C 1.434 177.800 176.600 -0.389 0.000 1.046 184 K CA 2.028 57.854 56.287 -0.768 0.000 0.929 184 K CB -0.184 31.870 32.500 -0.742 0.000 0.720 184 K HN 0.318 nan 8.250 nan 0.000 0.453 185 D N -0.741 119.558 120.400 -0.168 0.000 2.144 185 D HA -0.171 4.339 4.640 -0.216 0.000 0.200 185 D C 1.530 177.822 176.300 -0.013 0.000 0.978 185 D CA 0.895 54.859 54.000 -0.061 0.000 0.833 185 D CB -0.241 40.567 40.800 0.014 0.000 0.961 185 D HN 0.333 nan 8.370 nan 0.000 0.470 186 Y N 1.019 121.210 120.300 -0.182 0.000 2.242 186 Y HA -0.147 4.273 4.550 -0.216 0.000 0.291 186 Y C 1.861 177.664 175.900 -0.161 0.000 1.137 186 Y CA 0.969 58.974 58.100 -0.159 0.000 1.181 186 Y CB -0.226 38.061 38.460 -0.289 0.000 0.989 186 Y HN -0.167 nan 8.280 nan 0.000 0.527 187 I N 0.944 121.264 120.570 -0.418 0.000 2.226 187 I HA -0.282 3.759 4.170 -0.216 0.000 0.245 187 I C 2.314 178.281 176.117 -0.251 0.000 1.100 187 I CA 1.400 62.477 61.300 -0.372 0.000 1.374 187 I CB -0.824 37.024 38.000 -0.252 0.000 1.057 187 I HN 0.121 nan 8.210 nan 0.000 0.413 188 K N -0.938 119.351 120.400 -0.186 0.000 2.032 188 K HA -0.264 3.927 4.320 -0.216 0.000 0.209 188 K C 2.114 178.652 176.600 -0.103 0.000 1.048 188 K CA 2.048 58.266 56.287 -0.115 0.000 0.927 188 K CB -0.511 31.943 32.500 -0.076 0.000 0.712 188 K HN 0.378 nan 8.250 nan 0.000 0.441 189 W N 1.593 122.746 121.300 -0.245 0.000 2.333 189 W HA -0.246 4.284 4.660 -0.216 0.000 0.316 189 W C 1.717 178.033 176.519 -0.338 0.000 1.215 189 W CA 1.091 58.292 57.345 -0.239 0.000 1.278 189 W CB -0.420 28.922 29.460 -0.197 0.000 1.154 189 W HN -0.038 nan 8.180 nan 0.000 0.486 190 L N 1.255 122.238 121.223 -0.400 0.000 2.079 190 L HA -0.209 4.002 4.340 -0.216 0.000 0.210 190 L C 2.365 178.864 176.870 -0.618 0.000 1.081 190 L CA 1.984 56.393 54.840 -0.719 0.000 0.752 190 L CB -1.258 40.418 42.059 -0.638 0.000 0.896 190 L HN 0.021 nan 8.230 nan 0.000 0.433 191 E N -0.426 119.539 120.200 -0.391 0.000 2.268 191 E HA -0.164 4.056 4.350 -0.216 0.000 0.195 191 E C 1.929 178.352 176.600 -0.295 0.000 0.995 191 E CA 0.586 56.822 56.400 -0.274 0.000 0.836 191 E CB -0.067 29.551 29.700 -0.137 0.000 0.763 191 E HN 0.514 nan 8.360 nan 0.000 0.491 192 K N 0.663 120.835 120.400 -0.380 0.000 2.486 192 K HA -0.003 4.187 4.320 -0.216 0.000 0.194 192 K C 0.527 176.879 176.600 -0.413 0.000 1.033 192 K CA 0.294 56.370 56.287 -0.351 0.000 1.004 192 K CB 0.272 32.567 32.500 -0.341 0.000 0.798 192 K HN 0.064 nan 8.250 nan 0.000 0.495 193 Q N 0.868 120.341 119.800 -0.545 0.000 2.227 193 Q HA 0.107 4.318 4.340 -0.216 0.000 0.245 193 Q C -0.557 175.304 176.000 -0.232 0.000 0.926 193 Q CA -0.302 55.222 55.803 -0.464 0.000 0.895 193 Q CB 0.980 29.302 28.738 -0.694 0.000 1.230 193 Q HN -0.052 nan 8.270 nan 0.000 0.450 194 D N 1.124 121.465 120.400 -0.099 0.000 2.380 194 D HA 0.109 4.619 4.640 -0.216 0.000 0.230 194 D C 0.195 176.538 176.300 0.071 0.000 1.154 194 D CA -0.326 53.660 54.000 -0.023 0.000 0.859 194 D CB 0.782 41.574 40.800 -0.012 0.000 1.045 194 D HN 0.133 nan 8.370 nan 0.000 0.495 195 K N 1.891 122.339 120.400 0.079 0.000 2.103 195 K HA -0.113 4.077 4.320 -0.216 0.000 0.207 195 K C 1.824 178.490 176.600 0.110 0.000 1.048 195 K CA 1.244 57.630 56.287 0.164 0.000 0.930 195 K CB 0.033 32.608 32.500 0.125 0.000 0.716 195 K HN 0.466 nan 8.250 nan 0.000 0.444 196 Q N -0.374 119.465 119.800 0.065 0.000 2.119 196 Q HA 0.019 4.230 4.340 -0.216 0.000 0.201 196 Q C 2.128 178.151 176.000 0.039 0.000 0.972 196 Q CA 1.356 57.190 55.803 0.051 0.000 0.847 196 Q CB -0.197 28.563 28.738 0.037 0.000 0.903 196 Q HN 0.336 nan 8.270 nan 0.000 0.433 197 A N 0.654 123.494 122.820 0.034 0.000 1.902 197 A HA -0.161 4.030 4.320 -0.216 0.000 0.217 197 A C 2.457 180.010 177.584 -0.052 0.000 1.181 197 A CA 1.796 53.839 52.037 0.011 0.000 0.623 197 A CB -0.492 18.527 19.000 0.031 0.000 0.818 197 A HN 0.287 nan 8.150 nan 0.000 0.443 198 S N -0.100 115.596 115.700 -0.007 0.000 2.356 198 S HA -0.111 4.230 4.470 -0.216 0.000 0.223 198 S C 1.853 176.436 174.600 -0.028 0.000 1.032 198 S CA 1.466 59.585 58.200 -0.134 0.000 1.005 198 S CB -0.518 62.749 63.200 0.112 0.000 0.867 198 S HN 0.502 nan 8.310 nan 0.000 0.449 199 L N 1.025 122.294 121.223 0.077 0.000 2.013 199 L HA -0.192 4.018 4.340 -0.216 0.000 0.212 199 L C 2.745 179.666 176.870 0.085 0.000 1.073 199 L CA 1.552 56.467 54.840 0.126 0.000 0.753 199 L CB -0.477 41.633 42.059 0.086 0.000 0.890 199 L HN 0.266 nan 8.230 nan 0.000 0.432 200 R N -0.703 119.810 120.500 0.022 0.000 2.083 200 R HA -0.274 3.936 4.340 -0.216 0.000 0.237 200 R C 2.505 178.773 176.300 -0.054 0.000 1.137 200 R CA 2.155 58.254 56.100 -0.003 0.000 0.951 200 R CB -0.586 29.710 30.300 -0.007 0.000 0.851 200 R HN 0.326 nan 8.270 nan 0.000 0.434 201 Y N -0.285 119.835 120.300 -0.301 0.000 2.114 201 Y HA -0.297 4.124 4.550 -0.216 0.000 0.282 201 Y C 1.644 177.308 175.900 -0.392 0.000 1.165 201 Y CA 2.111 59.930 58.100 -0.468 0.000 1.148 201 Y CB -0.652 37.224 38.460 -0.973 0.000 0.972 201 Y HN 0.166 nan 8.280 nan 0.000 0.504 202 W N 0.510 121.646 121.300 -0.274 0.000 2.381 202 W HA -0.104 4.427 4.660 -0.216 0.000 0.301 202 W C 2.871 179.293 176.519 -0.162 0.000 1.205 202 W CA 1.555 58.745 57.345 -0.258 0.000 1.285 202 W CB -0.455 28.948 29.460 -0.095 0.000 1.133 202 W HN -0.096 nan 8.180 nan 0.000 0.521 203 R N 1.044 121.603 120.500 0.098 0.000 2.083 203 R HA -0.207 4.003 4.340 -0.216 0.000 0.237 203 R C 1.803 178.101 176.300 -0.002 0.000 1.137 203 R CA 2.083 58.218 56.100 0.058 0.000 0.951 203 R CB -0.384 29.947 30.300 0.051 0.000 0.851 203 R HN 0.222 nan 8.270 nan 0.000 0.434 204 E N -0.839 119.321 120.200 -0.067 0.000 2.077 204 E HA -0.231 3.990 4.350 -0.216 0.000 0.193 204 E C 1.715 178.255 176.600 -0.100 0.000 0.989 204 E CA 1.330 57.679 56.400 -0.085 0.000 0.800 204 E CB -0.230 29.411 29.700 -0.099 0.000 0.746 204 E HN 0.346 nan 8.360 nan 0.000 0.452 205 Y N 0.820 120.902 120.300 -0.364 0.000 2.165 205 Y HA -0.175 4.245 4.550 -0.216 0.000 0.286 205 Y C 1.574 177.367 175.900 -0.179 0.000 1.155 205 Y CA 1.454 59.340 58.100 -0.356 0.000 1.164 205 Y CB 0.020 38.146 38.460 -0.556 0.000 0.978 205 Y HN -0.033 nan 8.280 nan 0.000 0.513 206 L N 0.278 121.436 121.223 -0.108 0.000 2.607 206 L HA 0.119 4.329 4.340 -0.216 0.000 0.228 206 L C 0.560 177.411 176.870 -0.032 0.000 1.123 206 L CA -0.071 54.683 54.840 -0.144 0.000 0.890 206 L CB -0.370 41.670 42.059 -0.032 0.000 1.103 206 L HN 0.056 nan 8.230 nan 0.000 0.468 207 E N 1.178 121.355 120.200 -0.038 0.000 2.558 207 E HA 0.088 4.309 4.350 -0.216 0.000 0.255 207 E C 1.248 177.843 176.600 -0.008 0.000 0.968 207 E CA 0.887 57.278 56.400 -0.014 0.000 0.939 207 E CB 0.284 29.965 29.700 -0.033 0.000 0.921 207 E HN 0.327 nan 8.360 nan 0.000 0.477 208 G N 3.880 112.682 108.800 0.004 0.000 2.162 208 G HA2 -0.327 3.504 3.960 -0.216 0.000 0.260 208 G HA3 -0.327 3.504 3.960 -0.216 0.000 0.260 208 G C -0.077 174.849 174.900 0.044 0.000 0.976 208 G CA 0.115 45.207 45.100 -0.013 0.000 0.655 208 G HN 0.555 nan 8.290 nan 0.000 0.533 209 F N 1.668 121.572 119.950 -0.076 0.000 2.504 209 F HA 0.518 4.915 4.527 -0.216 0.000 0.369 209 F C 1.088 176.861 175.800 -0.046 0.000 1.082 209 F CA -0.779 57.176 58.000 -0.075 0.000 1.216 209 F CB 0.856 39.801 39.000 -0.091 0.000 1.108 209 F HN 0.013 nan 8.300 nan 0.000 0.554 210 E N 4.346 124.133 120.200 -0.690 0.000 2.437 210 E HA 0.220 4.441 4.350 -0.216 0.000 0.189 210 E C 1.032 177.250 176.600 -0.636 0.000 1.054 210 E CA 0.545 56.650 56.400 -0.491 0.000 0.874 210 E CB -0.432 29.080 29.700 -0.314 0.000 1.011 210 E HN 0.924 nan 8.360 nan 0.000 0.474 211 G N 1.695 109.792 108.800 -1.170 0.000 2.829 211 G HA2 -0.256 3.574 3.960 -0.216 0.000 0.628 211 G HA3 -0.256 3.574 3.960 -0.216 0.000 0.628 211 G C -0.505 174.123 174.900 -0.453 0.000 1.412 211 G CA -0.135 44.593 45.100 -0.620 0.000 0.864 211 G HN 0.221 nan 8.290 nan 0.000 0.544 212 Q N -0.795 118.920 119.800 -0.142 0.000 2.364 212 Q HA 0.533 4.744 4.340 -0.216 0.000 0.257 212 Q C -1.253 174.732 176.000 -0.025 0.000 0.956 212 Q CA -0.459 55.316 55.803 -0.047 0.000 0.924 212 Q CB 1.421 30.248 28.738 0.148 0.000 1.413 212 Q HN 0.759 nan 8.270 nan 0.000 0.418 213 T N 3.312 117.816 114.554 -0.084 0.000 2.801 213 T HA 0.302 4.522 4.350 -0.216 0.000 0.306 213 T C -0.458 174.222 174.700 -0.033 0.000 1.020 213 T CA -0.223 61.850 62.100 -0.045 0.000 0.948 213 T CB 0.845 69.647 68.868 -0.110 0.000 0.962 213 T HN 0.506 nan 8.240 nan 0.000 0.465 214 T N 4.116 118.646 114.554 -0.039 0.000 2.888 214 T HA 0.196 4.417 4.350 -0.216 0.000 0.301 214 T C 0.353 174.917 174.700 -0.228 0.000 1.001 214 T CA -0.268 61.635 62.100 -0.328 0.000 1.147 214 T CB -0.316 68.222 68.868 -0.549 0.000 0.931 214 T HN 0.573 nan 8.240 nan 0.000 0.541 215 F N -0.703 119.257 119.950 0.016 0.000 3.093 215 F HA -0.269 4.128 4.527 -0.216 0.000 0.287 215 F C 1.728 177.552 175.800 0.040 0.000 0.882 215 F CA -0.196 57.792 58.000 -0.020 0.000 1.063 215 F CB -2.517 36.440 39.000 -0.072 0.000 1.097 215 F HN 0.747 nan 8.300 nan 0.000 0.604 216 A N -0.102 122.798 122.820 0.134 0.000 1.958 216 A HA -0.254 3.936 4.320 -0.216 0.000 0.221 216 A C 2.178 179.787 177.584 0.042 0.000 1.178 216 A CA 2.210 54.284 52.037 0.062 0.000 0.642 216 A CB -0.269 18.734 19.000 0.005 0.000 0.816 216 A HN 0.560 nan 8.150 nan 0.000 0.453 217 E N -0.743 119.483 120.200 0.043 0.000 2.299 217 E HA -0.115 4.105 4.350 -0.216 0.000 0.193 217 E C 1.740 178.306 176.600 -0.057 0.000 0.998 217 E CA 0.949 57.347 56.400 -0.004 0.000 0.851 217 E CB -0.296 29.403 29.700 -0.002 0.000 0.795 217 E HN 0.724 nan 8.360 nan 0.000 0.492 218 Q N 0.513 120.254 119.800 -0.099 0.000 2.424 218 Q HA 0.102 4.313 4.340 -0.216 0.000 0.204 218 Q C 0.367 176.293 176.000 -0.123 0.000 0.933 218 Q CA 0.231 55.892 55.803 -0.237 0.000 0.929 218 Q CB 0.153 28.430 28.738 -0.768 0.000 1.037 218 Q HN 0.070 nan 8.270 nan 0.000 0.511 219 R N 1.214 121.665 120.500 -0.083 0.000 2.491 219 R HA 0.167 4.377 4.340 -0.216 0.000 0.283 219 R C -0.272 175.921 176.300 -0.178 0.000 1.072 219 R CA 0.253 56.205 56.100 -0.246 0.000 1.048 219 R CB 0.516 30.696 30.300 -0.201 0.000 0.983 219 R HN 0.005 nan 8.270 nan 0.000 0.450 220 K N 2.162 122.433 120.400 -0.215 0.000 2.110 220 K HA 0.119 4.309 4.320 -0.216 0.000 0.263 220 K C 0.530 177.059 176.600 -0.117 0.000 0.975 220 K CA -0.471 55.741 56.287 -0.124 0.000 0.895 220 K CB 1.693 34.135 32.500 -0.097 0.000 1.060 220 K HN 0.424 nan 8.250 nan 0.000 0.448 221 K N 1.442 121.801 120.400 -0.069 0.000 2.380 221 K HA -0.030 4.160 4.320 -0.216 0.000 0.198 221 K C 0.628 177.205 176.600 -0.040 0.000 1.070 221 K CA 0.032 56.290 56.287 -0.049 0.000 1.040 221 K CB 0.591 33.078 32.500 -0.023 0.000 0.903 221 K HN 0.568 nan 8.250 nan 0.000 0.549 222 Q N 2.171 121.948 119.800 -0.038 0.000 2.498 222 Q HA -0.107 4.103 4.340 -0.216 0.000 0.299 222 Q C -0.679 175.300 176.000 -0.034 0.000 1.178 222 Q CA 1.181 56.966 55.803 -0.030 0.000 0.997 222 Q CB 0.163 28.886 28.738 -0.026 0.000 1.306 222 Q HN 0.154 nan 8.270 nan 0.000 0.468 223 K N 2.581 122.965 120.400 -0.026 0.000 2.619 223 K HA -0.108 4.083 4.320 -0.216 0.000 0.278 223 K C 0.198 176.779 176.600 -0.033 0.000 0.969 223 K CA 1.008 57.279 56.287 -0.027 0.000 1.042 223 K CB -0.871 31.617 32.500 -0.020 0.000 0.845 223 K HN 0.805 nan 8.250 nan 0.000 0.497 224 D N -0.239 120.142 120.400 -0.032 0.000 2.380 224 D HA 0.583 5.093 4.640 -0.216 0.000 0.254 224 D C 0.776 177.067 176.300 -0.016 0.000 1.288 224 D CA 0.653 54.637 54.000 -0.027 0.000 1.008 224 D CB 0.082 40.866 40.800 -0.027 0.000 1.099 224 D HN 1.562 nan 8.370 nan 0.000 0.537 225 G N -2.025 106.778 108.800 0.006 0.000 2.770 225 G HA2 0.021 3.851 3.960 -0.216 0.000 0.686 225 G HA3 0.021 3.851 3.960 -0.216 0.000 0.686 225 G C -1.714 173.216 174.900 0.050 0.000 1.180 225 G CA -0.882 44.237 45.100 0.032 0.000 0.767 225 G HN 0.500 nan 8.290 nan 0.000 0.646 226 Y N 1.125 121.412 120.300 -0.021 0.000 2.350 226 Y HA 0.579 4.999 4.550 -0.216 0.000 0.340 226 Y C 0.536 176.421 175.900 -0.026 0.000 1.006 226 Y CA -0.471 57.618 58.100 -0.018 0.000 1.166 226 Y CB 1.722 40.168 38.460 -0.024 0.000 1.168 226 Y HN 0.617 nan 8.280 nan 0.000 0.502 227 E N 8.288 128.461 120.200 -0.045 0.000 2.103 227 E HA 0.359 4.579 4.350 -0.216 0.000 0.254 227 E C -2.744 173.855 176.600 -0.002 0.000 0.940 227 E CA -2.777 53.624 56.400 0.001 0.000 0.771 227 E CB 0.516 30.184 29.700 -0.053 0.000 1.153 227 E HN 0.291 nan 8.360 nan 0.000 0.428 228 P HA 0.173 nan 4.420 nan 0.000 0.268 228 P C -1.036 176.223 177.300 -0.068 0.000 1.204 228 P CA -0.204 62.997 63.100 0.169 0.000 0.768 228 P CB 0.757 32.542 31.700 0.143 0.000 0.842 229 K N 1.372 121.619 120.400 -0.254 0.000 2.568 229 K HA 0.526 4.716 4.320 -0.216 0.000 0.273 229 K C -1.514 174.834 176.600 -0.420 0.000 0.951 229 K CA -0.584 55.449 56.287 -0.424 0.000 0.854 229 K CB 2.093 34.149 32.500 -0.740 0.000 1.424 229 K HN 0.349 nan 8.250 nan 0.000 0.427 230 E N 2.341 122.489 120.200 -0.086 0.000 2.343 230 E HA 0.449 4.669 4.350 -0.216 0.000 0.278 230 E C -1.820 174.901 176.600 0.201 0.000 0.910 230 E CA -0.755 55.703 56.400 0.097 0.000 0.757 230 E CB 1.530 31.257 29.700 0.045 0.000 1.218 230 E HN 0.459 nan 8.360 nan 0.000 0.435 231 L N 5.384 126.750 121.223 0.239 0.000 2.446 231 L HA 0.392 4.602 4.340 -0.216 0.000 0.268 231 L C -1.805 175.209 176.870 0.240 0.000 0.975 231 L CA -0.849 54.128 54.840 0.228 0.000 0.848 231 L CB 0.951 43.146 42.059 0.228 0.000 1.225 231 L HN 0.492 nan 8.230 nan 0.000 0.410 232 L N 6.173 127.495 121.223 0.165 0.000 2.289 232 L HA 0.609 4.819 4.340 -0.216 0.000 0.285 232 L C -0.258 176.721 176.870 0.182 0.000 1.049 232 L CA 0.037 54.917 54.840 0.066 0.000 0.804 232 L CB 1.147 43.216 42.059 0.018 0.000 1.195 232 L HN 0.455 nan 8.230 nan 0.000 0.428 233 F N -0.313 119.618 119.950 -0.031 0.000 2.741 233 F HA 0.899 5.296 4.527 -0.216 0.000 0.313 233 F C -0.717 175.058 175.800 -0.042 0.000 1.153 233 F CA -1.095 56.884 58.000 -0.035 0.000 0.931 233 F CB 1.571 40.546 39.000 -0.042 0.000 1.335 233 F HN 0.380 nan 8.300 nan 0.000 0.460 234 S N -0.418 115.343 115.700 0.102 0.000 2.547 234 S HA 0.810 5.150 4.470 -0.216 0.000 0.270 234 S C -3.347 171.301 174.600 0.081 0.000 1.150 234 S CA -1.318 56.880 58.200 -0.004 0.000 0.850 234 S CB 1.864 65.038 63.200 -0.045 0.000 1.118 234 S HN 0.586 nan 8.310 nan 0.000 0.461 235 P HA 0.315 nan 4.420 nan 0.000 0.275 235 P C 0.155 177.471 177.300 0.028 0.000 1.270 235 P CA -0.507 62.613 63.100 0.033 0.000 0.791 235 P CB 0.181 31.873 31.700 -0.013 0.000 1.089 236 S N -1.337 114.379 115.700 0.026 0.000 2.596 236 S HA 0.046 4.387 4.470 -0.216 0.000 0.260 236 S C 1.287 175.906 174.600 0.031 0.000 1.336 236 S CA -0.167 58.049 58.200 0.027 0.000 0.993 236 S CB 0.210 63.424 63.200 0.024 0.000 0.923 236 S HN 0.498 nan 8.310 nan 0.000 0.567 237 E N 0.920 121.139 120.200 0.032 0.000 2.085 237 E HA -0.138 4.083 4.350 -0.216 0.000 0.194 237 E C 2.200 178.828 176.600 0.047 0.000 0.994 237 E CA 1.401 57.825 56.400 0.039 0.000 0.801 237 E CB -0.585 29.134 29.700 0.033 0.000 0.743 237 E HN 0.797 nan 8.360 nan 0.000 0.453 238 A N 0.834 123.678 122.820 0.040 0.000 1.855 238 A HA -0.229 3.961 4.320 -0.216 0.000 0.215 238 A C 1.946 179.564 177.584 0.056 0.000 1.191 238 A CA 1.715 53.778 52.037 0.043 0.000 0.613 238 A CB -0.632 18.388 19.000 0.032 0.000 0.829 238 A HN 0.260 nan 8.150 nan 0.000 0.442 239 E N -0.671 119.558 120.200 0.049 0.000 2.114 239 E HA -0.180 4.040 4.350 -0.216 0.000 0.199 239 E C 2.065 178.725 176.600 0.099 0.000 1.008 239 E CA 1.918 58.352 56.400 0.058 0.000 0.810 239 E CB -0.394 29.325 29.700 0.031 0.000 0.739 239 E HN 0.634 nan 8.360 nan 0.000 0.456 240 T N 0.753 115.359 114.554 0.087 0.000 2.788 240 T HA -0.184 4.037 4.350 -0.216 0.000 0.268 240 T C 1.772 176.592 174.700 0.200 0.000 1.044 240 T CA 1.440 63.623 62.100 0.138 0.000 1.139 240 T CB -0.101 68.825 68.868 0.096 0.000 0.867 240 T HN 0.133 nan 8.240 nan 0.000 0.454 241 K N 1.200 121.679 120.400 0.132 0.000 2.001 241 K HA 0.016 4.207 4.320 -0.216 0.000 0.208 241 K C 2.569 179.231 176.600 0.104 0.000 1.048 241 K CA 1.196 57.547 56.287 0.107 0.000 0.932 241 K CB -0.386 32.156 32.500 0.070 0.000 0.715 241 K HN 0.239 nan 8.250 nan 0.000 0.437 242 A N 0.774 123.655 122.820 0.101 0.000 1.908 242 A HA -0.177 4.014 4.320 -0.216 0.000 0.218 242 A C 2.028 179.678 177.584 0.110 0.000 1.181 242 A CA 1.511 53.597 52.037 0.082 0.000 0.627 242 A CB -0.909 18.133 19.000 0.069 0.000 0.818 242 A HN 0.546 nan 8.150 nan 0.000 0.445 243 F N 0.739 120.701 119.950 0.020 0.000 2.043 243 F HA -0.203 4.194 4.527 -0.216 0.000 0.297 243 F C 2.622 178.443 175.800 0.035 0.000 1.121 243 F CA 2.536 60.555 58.000 0.033 0.000 1.199 243 F CB -0.914 38.113 39.000 0.044 0.000 0.968 243 F HN 0.209 nan 8.300 nan 0.000 0.478 244 T N -0.803 113.797 114.554 0.075 0.000 2.720 244 T HA -0.214 4.007 4.350 -0.216 0.000 0.268 244 T C 1.814 176.452 174.700 -0.103 0.000 1.037 244 T CA 1.825 63.899 62.100 -0.043 0.000 1.144 244 T CB -0.340 68.593 68.868 0.108 0.000 0.864 244 T HN 0.266 nan 8.240 nan 0.000 0.444 245 E N 0.359 120.531 120.200 -0.047 0.000 2.152 245 E HA 0.022 4.243 4.350 -0.216 0.000 0.192 245 E C 1.843 178.387 176.600 -0.094 0.000 0.983 245 E CA 0.352 56.719 56.400 -0.055 0.000 0.818 245 E CB -0.401 29.288 29.700 -0.019 0.000 0.758 245 E HN 0.403 nan 8.360 nan 0.000 0.467 246 L N 0.044 121.205 121.223 -0.102 0.000 2.072 246 L HA 0.041 4.252 4.340 -0.216 0.000 0.205 246 L C 2.025 178.807 176.870 -0.147 0.000 1.079 246 L CA 2.019 56.804 54.840 -0.092 0.000 0.752 246 L CB -0.902 41.140 42.059 -0.029 0.000 0.906 246 L HN 0.091 nan 8.230 nan 0.000 0.436 247 A N -0.586 122.086 122.820 -0.248 0.000 1.986 247 A HA -0.282 3.908 4.320 -0.216 0.000 0.220 247 A C 2.342 179.800 177.584 -0.208 0.000 1.171 247 A CA 2.143 54.023 52.037 -0.261 0.000 0.640 247 A CB -0.557 18.218 19.000 -0.375 0.000 0.811 247 A HN 0.464 nan 8.150 nan 0.000 0.451 248 K N 0.386 120.665 120.400 -0.201 0.000 2.044 248 K HA -0.059 4.132 4.320 -0.216 0.000 0.204 248 K C 2.335 178.694 176.600 -0.402 0.000 1.045 248 K CA 1.640 57.796 56.287 -0.219 0.000 0.951 248 K CB -0.440 31.974 32.500 -0.143 0.000 0.738 248 K HN 0.505 nan 8.250 nan 0.000 0.443 249 S N -0.164 115.347 115.700 -0.314 0.000 2.419 249 S HA -0.169 4.171 4.470 -0.216 0.000 0.235 249 S C 1.840 176.187 174.600 -0.422 0.000 1.019 249 S CA 1.088 59.074 58.200 -0.357 0.000 0.982 249 S CB -0.279 62.824 63.200 -0.162 0.000 0.789 249 S HN 0.283 nan 8.310 nan 0.000 0.490 250 Q N 0.357 119.988 119.800 -0.282 0.000 2.425 250 Q HA 0.234 4.445 4.340 -0.216 0.000 0.204 250 Q C -0.582 175.379 176.000 -0.065 0.000 0.933 250 Q CA 0.315 56.036 55.803 -0.137 0.000 0.939 250 Q CB -0.471 28.215 28.738 -0.087 0.000 1.044 250 Q HN 0.867 nan 8.270 nan 0.000 0.513 251 H N -1.083 117.948 119.070 -0.065 0.000 2.827 251 H HA -0.135 4.292 4.556 -0.216 0.000 0.330 251 H C -0.559 174.719 175.328 -0.084 0.000 1.236 251 H CA 0.838 56.846 56.048 -0.067 0.000 1.165 251 H CB -2.021 27.710 29.762 -0.053 0.000 1.532 251 H HN 0.328 nan 8.280 nan 0.000 0.434 252 T N -3.070 111.456 114.554 -0.047 0.000 2.812 252 T HA 0.648 4.869 4.350 -0.216 0.000 0.294 252 T C 0.487 175.108 174.700 -0.130 0.000 1.159 252 T CA -0.586 61.465 62.100 -0.082 0.000 1.008 252 T CB 2.231 71.035 68.868 -0.107 0.000 1.289 252 T HN 0.376 nan 8.240 nan 0.000 0.514 253 T N 0.028 114.494 114.554 -0.147 0.000 2.882 253 T HA 0.408 4.628 4.350 -0.216 0.000 0.287 253 T C 1.364 175.893 174.700 -0.284 0.000 1.014 253 T CA -0.761 61.220 62.100 -0.199 0.000 1.049 253 T CB 0.360 69.114 68.868 -0.190 0.000 1.001 253 T HN 0.432 nan 8.240 nan 0.000 0.525 254 L N 1.944 122.925 121.223 -0.404 0.000 2.046 254 L HA -0.028 4.182 4.340 -0.216 0.000 0.208 254 L C 3.119 179.611 176.870 -0.630 0.000 1.077 254 L CA 1.865 56.363 54.840 -0.570 0.000 0.747 254 L CB -1.337 40.240 42.059 -0.803 0.000 0.896 254 L HN 0.920 nan 8.230 nan 0.000 0.432 255 S N -1.034 114.241 115.700 -0.709 0.000 2.359 255 S HA -0.266 4.075 4.470 -0.216 0.000 0.223 255 S C 2.105 176.645 174.600 -0.100 0.000 1.039 255 S CA 2.256 60.260 58.200 -0.327 0.000 1.042 255 S CB -0.372 62.738 63.200 -0.150 0.000 0.915 255 S HN 0.521 nan 8.310 nan 0.000 0.439 256 T N 1.815 116.303 114.554 -0.109 0.000 2.788 256 T HA 0.047 4.268 4.350 -0.216 0.000 0.268 256 T C 2.028 176.727 174.700 -0.002 0.000 1.044 256 T CA 1.222 63.300 62.100 -0.036 0.000 1.139 256 T CB -0.672 68.155 68.868 -0.069 0.000 0.867 256 T HN 0.548 nan 8.240 nan 0.000 0.454 257 A N 1.370 124.169 122.820 -0.036 0.000 1.883 257 A HA -0.052 4.138 4.320 -0.216 0.000 0.217 257 A C 2.216 180.022 177.584 0.370 0.000 1.186 257 A CA 1.396 53.484 52.037 0.086 0.000 0.624 257 A CB -0.875 18.011 19.000 -0.190 0.000 0.822 257 A HN 0.423 nan 8.150 nan 0.000 0.444 258 L N -0.143 121.300 121.223 0.367 0.000 2.083 258 L HA -0.208 4.002 4.340 -0.216 0.000 0.209 258 L C 2.466 179.504 176.870 0.280 0.000 1.083 258 L CA 2.358 57.408 54.840 0.351 0.000 0.752 258 L CB -0.626 41.592 42.059 0.264 0.000 0.899 258 L HN 0.524 nan 8.230 nan 0.000 0.433 259 Q N -1.007 118.928 119.800 0.224 0.000 2.172 259 Q HA -0.074 4.136 4.340 -0.216 0.000 0.200 259 Q C 2.275 178.465 176.000 0.316 0.000 0.964 259 Q CA 1.223 57.175 55.803 0.248 0.000 0.855 259 Q CB -0.313 28.617 28.738 0.321 0.000 0.918 259 Q HN 0.672 nan 8.270 nan 0.000 0.444 260 A N 0.899 123.872 122.820 0.255 0.000 1.877 260 A HA -0.169 4.021 4.320 -0.216 0.000 0.216 260 A C 2.345 180.171 177.584 0.404 0.000 1.186 260 A CA 1.791 53.959 52.037 0.218 0.000 0.620 260 A CB -0.979 17.962 19.000 -0.100 0.000 0.822 260 A HN 0.341 nan 8.150 nan 0.000 0.443 261 V N -3.236 116.981 119.914 0.506 0.000 2.379 261 V HA -0.187 3.803 4.120 -0.216 0.000 0.245 261 V C 2.142 178.425 176.094 0.316 0.000 1.044 261 V CA 1.636 64.194 62.300 0.430 0.000 1.036 261 V CB -1.134 30.898 31.823 0.347 0.000 0.664 261 V HN 0.733 nan 8.190 nan 0.000 0.453 262 W N 1.246 122.606 121.300 0.100 0.000 2.318 262 W HA -0.253 4.278 4.660 -0.216 0.000 0.313 262 W C 2.562 179.101 176.519 0.033 0.000 1.221 262 W CA 2.545 59.892 57.345 0.003 0.000 1.266 262 W CB -0.391 28.957 29.460 -0.186 0.000 1.150 262 W HN 0.428 nan 8.180 nan 0.000 0.496 263 S N 0.486 116.281 115.700 0.159 0.000 2.374 263 S HA -0.216 4.124 4.470 -0.216 0.000 0.227 263 S C 1.697 176.336 174.600 0.065 0.000 1.037 263 S CA 1.796 60.091 58.200 0.159 0.000 1.024 263 S CB -0.763 62.614 63.200 0.294 0.000 0.861 263 S HN 0.151 nan 8.310 nan 0.000 0.456 264 V N 1.906 121.880 119.914 0.100 0.000 2.427 264 V HA -0.103 3.887 4.120 -0.216 0.000 0.248 264 V C 2.158 178.257 176.094 0.008 0.000 1.051 264 V CA 1.247 63.595 62.300 0.080 0.000 1.048 264 V CB -0.611 31.294 31.823 0.137 0.000 0.666 264 V HN 0.429 nan 8.190 nan 0.000 0.456 265 L N 0.526 121.710 121.223 -0.064 0.000 1.970 265 L HA -0.193 4.017 4.340 -0.216 0.000 0.212 265 L C 2.479 179.298 176.870 -0.085 0.000 1.071 265 L CA 2.734 57.504 54.840 -0.116 0.000 0.751 265 L CB -0.309 41.581 42.059 -0.283 0.000 0.889 265 L HN 0.460 nan 8.230 nan 0.000 0.432 266 I N -3.987 116.395 120.570 -0.312 0.000 2.493 266 I HA -0.205 3.836 4.170 -0.216 0.000 0.254 266 I C 2.583 178.704 176.117 0.007 0.000 1.160 266 I CA 1.233 62.431 61.300 -0.169 0.000 1.445 266 I CB -0.483 37.285 38.000 -0.386 0.000 1.086 266 I HN 0.118 nan 8.210 nan 0.000 0.433 267 S N 1.444 117.144 115.700 0.000 0.000 2.389 267 S HA -0.172 4.168 4.470 -0.216 0.000 0.231 267 S C 2.014 176.634 174.600 0.033 0.000 1.052 267 S CA 1.629 59.850 58.200 0.035 0.000 1.053 267 S CB -0.285 62.939 63.200 0.040 0.000 0.886 267 S HN 0.513 nan 8.310 nan 0.000 0.456 268 R N -0.796 119.720 120.500 0.026 0.000 2.313 268 R HA 0.138 4.348 4.340 -0.216 0.000 0.199 268 R C 0.945 177.188 176.300 -0.096 0.000 0.958 268 R CA 0.443 56.519 56.100 -0.040 0.000 1.047 268 R CB -0.580 29.667 30.300 -0.089 0.000 0.955 268 R HN 0.565 nan 8.270 nan 0.000 0.481 269 Y N 0.108 120.423 120.300 0.025 0.000 2.481 269 Y HA 0.119 4.540 4.550 -0.216 0.000 0.258 269 Y C 1.832 177.743 175.900 0.018 0.000 1.103 269 Y CA 0.344 58.486 58.100 0.069 0.000 1.287 269 Y CB 0.654 39.242 38.460 0.214 0.000 1.108 269 Y HN -0.115 nan 8.280 nan 0.000 0.529 270 Q N -0.251 119.621 119.800 0.120 0.000 2.247 270 Q HA 0.004 4.215 4.340 -0.216 0.000 0.211 270 Q C 0.347 176.358 176.000 0.018 0.000 0.861 270 Q CA 0.161 55.996 55.803 0.053 0.000 0.949 270 Q CB 0.611 29.369 28.738 0.034 0.000 1.115 270 Q HN 0.421 nan 8.270 nan 0.000 0.507 271 Q N 0.683 120.489 119.800 0.010 0.000 2.487 271 Q HA -0.178 4.033 4.340 -0.216 0.000 0.279 271 Q C -1.087 174.909 176.000 -0.007 0.000 1.228 271 Q CA 0.951 56.747 55.803 -0.012 0.000 0.873 271 Q CB -1.316 27.406 28.738 -0.027 0.000 1.260 271 Q HN 0.249 nan 8.270 nan 0.000 0.471 272 S N -2.921 112.785 115.700 0.009 0.000 2.558 272 S HA 0.650 4.990 4.470 -0.216 0.000 0.277 272 S C 0.332 174.954 174.600 0.037 0.000 1.143 272 S CA 0.137 58.346 58.200 0.017 0.000 0.865 272 S CB 1.560 64.767 63.200 0.012 0.000 1.102 272 S HN 0.369 nan 8.310 nan 0.000 0.454 273 G N 1.190 110.011 108.800 0.037 0.000 3.126 273 G HA2 0.191 4.021 3.960 -0.216 0.000 0.224 273 G HA3 0.191 4.021 3.960 -0.216 0.000 0.224 273 G C -0.168 174.768 174.900 0.060 0.000 1.142 273 G CA -0.034 45.094 45.100 0.047 0.000 0.759 273 G HN 0.644 nan 8.290 nan 0.000 0.550 274 D N 0.933 121.379 120.400 0.077 0.000 2.412 274 D HA 0.493 5.004 4.640 -0.216 0.000 0.224 274 D C -0.313 176.128 176.300 0.234 0.000 1.093 274 D CA -0.180 53.898 54.000 0.129 0.000 0.850 274 D CB 0.593 41.478 40.800 0.143 0.000 1.046 274 D HN -0.025 nan 8.370 nan 0.000 0.507 275 L N 1.952 123.276 121.223 0.167 0.000 2.371 275 L HA 0.904 5.115 4.340 -0.216 0.000 0.262 275 L C -0.489 176.390 176.870 0.015 0.000 1.006 275 L CA -1.057 53.896 54.840 0.188 0.000 0.818 275 L CB 2.136 44.313 42.059 0.196 0.000 1.354 275 L HN 0.418 nan 8.230 nan 0.000 0.415 276 A N 1.880 124.749 122.820 0.082 0.000 2.572 276 A HA 0.970 5.160 4.320 -0.216 0.000 0.295 276 A C -1.497 176.111 177.584 0.040 0.000 1.072 276 A CA -0.425 51.489 52.037 -0.206 0.000 0.691 276 A CB 1.746 20.466 19.000 -0.468 0.000 1.291 276 A HN 0.652 nan 8.150 nan 0.000 0.404 277 F N -1.193 118.677 119.950 -0.133 0.000 2.770 277 F HA 0.703 5.101 4.527 -0.216 0.000 0.313 277 F C 0.177 175.807 175.800 -0.284 0.000 1.154 277 F CA -0.583 57.208 58.000 -0.349 0.000 0.923 277 F CB 0.623 39.354 39.000 -0.449 0.000 1.301 277 F HN 0.945 nan 8.300 nan 0.000 0.449 278 G N -0.060 108.628 108.800 -0.187 0.000 2.503 278 G HA2 0.494 4.324 3.960 -0.216 0.000 0.257 278 G HA3 0.494 4.324 3.960 -0.216 0.000 0.257 278 G C -1.078 173.812 174.900 -0.016 0.000 1.214 278 G CA -0.096 44.898 45.100 -0.176 0.000 0.839 278 G HN 0.949 nan 8.290 nan 0.000 0.559 279 T N -0.838 113.703 114.554 -0.021 0.000 2.909 279 T HA 0.486 4.706 4.350 -0.216 0.000 0.299 279 T C -0.452 174.249 174.700 0.001 0.000 1.073 279 T CA -0.398 61.725 62.100 0.038 0.000 0.999 279 T CB 1.481 70.404 68.868 0.092 0.000 1.098 279 T HN 1.190 nan 8.240 nan 0.000 0.477 280 V N 4.635 124.554 119.914 0.008 0.000 2.439 280 V HA 0.904 4.895 4.120 -0.216 0.000 0.282 280 V C -0.142 175.951 176.094 -0.001 0.000 1.039 280 V CA -0.263 62.042 62.300 0.009 0.000 0.913 280 V CB 0.718 32.552 31.823 0.017 0.000 0.983 280 V HN 0.900 nan 8.190 nan 0.000 0.460 281 V N 2.810 122.722 119.914 -0.002 0.000 3.046 281 V HA 0.703 4.693 4.120 -0.216 0.000 0.316 281 V C 1.181 177.251 176.094 -0.040 0.000 1.104 281 V CA 0.162 62.448 62.300 -0.023 0.000 1.006 281 V CB 1.197 33.024 31.823 0.007 0.000 1.058 281 V HN 1.217 nan 8.190 nan 0.000 0.440 282 S N 0.754 116.395 115.700 -0.098 0.000 2.428 282 S HA 0.152 4.493 4.470 -0.216 0.000 0.230 282 S C 1.768 176.334 174.600 -0.058 0.000 1.014 282 S CA 1.295 59.400 58.200 -0.158 0.000 0.957 282 S CB -0.655 62.377 63.200 -0.280 0.000 0.784 282 S HN 2.868 nan 8.310 nan 0.000 0.499 283 G N 1.312 110.109 108.800 -0.005 0.000 2.168 283 G HA2 -0.292 3.539 3.960 -0.216 0.000 0.257 283 G HA3 -0.292 3.539 3.960 -0.216 0.000 0.257 283 G C 0.066 175.000 174.900 0.058 0.000 0.997 283 G CA 0.317 45.470 45.100 0.089 0.000 0.708 283 G HN 0.627 nan 8.290 nan 0.000 0.520 284 R N 0.974 121.402 120.500 -0.119 0.000 2.278 284 R HA 0.410 4.621 4.340 -0.216 0.000 0.322 284 R C -2.532 173.612 176.300 -0.260 0.000 1.058 284 R CA -1.653 54.285 56.100 -0.269 0.000 0.991 284 R CB 1.429 31.471 30.300 -0.429 0.000 1.140 284 R HN 0.142 nan 8.270 nan 0.000 0.518 285 P HA 0.107 nan 4.420 nan 0.000 0.281 285 P C 0.423 177.531 177.300 -0.320 0.000 1.252 285 P CA -0.169 62.703 63.100 -0.380 0.000 0.778 285 P CB 1.513 32.741 31.700 -0.787 0.000 0.895 286 A N 4.121 126.812 122.820 -0.215 0.000 1.985 286 A HA -0.279 3.911 4.320 -0.216 0.000 0.223 286 A C 1.572 179.069 177.584 -0.145 0.000 1.189 286 A CA 2.135 54.076 52.037 -0.159 0.000 0.658 286 A CB -1.174 17.756 19.000 -0.116 0.000 0.820 286 A HN 0.731 nan 8.150 nan 0.000 0.464 287 E N -0.587 119.521 120.200 -0.154 0.000 2.511 287 E HA 0.191 4.411 4.350 -0.216 0.000 0.196 287 E C -0.095 176.445 176.600 -0.100 0.000 1.066 287 E CA 0.014 56.367 56.400 -0.078 0.000 0.871 287 E CB -0.263 29.466 29.700 0.047 0.000 0.863 287 E HN 0.686 nan 8.360 nan 0.000 0.520 288 I N 2.187 122.638 120.570 -0.197 0.000 2.306 288 I HA 0.112 4.152 4.170 -0.216 0.000 0.288 288 I C 1.081 177.141 176.117 -0.094 0.000 1.036 288 I CA -0.738 60.483 61.300 -0.132 0.000 1.221 288 I CB 1.237 39.132 38.000 -0.174 0.000 1.385 288 I HN -0.142 nan 8.210 nan 0.000 0.472 289 K N 4.438 124.810 120.400 -0.046 0.000 2.063 289 K HA -0.092 4.099 4.320 -0.216 0.000 0.208 289 K C 1.586 178.166 176.600 -0.033 0.000 1.048 289 K CA 1.218 57.483 56.287 -0.036 0.000 0.928 289 K CB -0.137 32.357 32.500 -0.011 0.000 0.713 289 K HN 0.819 nan 8.250 nan 0.000 0.442 290 G N 0.794 109.589 108.800 -0.009 0.000 3.609 290 G HA2 0.069 3.899 3.960 -0.216 0.000 0.280 290 G HA3 0.069 3.899 3.960 -0.216 0.000 0.280 290 G C 1.060 175.931 174.900 -0.048 0.000 1.155 290 G CA -0.231 44.884 45.100 0.025 0.000 0.876 290 G HN 0.075 nan 8.290 nan 0.000 0.535 291 V N 0.119 119.960 119.914 -0.122 0.000 2.453 291 V HA -0.184 3.807 4.120 -0.216 0.000 0.252 291 V C 2.426 178.337 176.094 -0.305 0.000 1.068 291 V CA 2.494 64.676 62.300 -0.198 0.000 1.070 291 V CB 0.062 31.730 31.823 -0.258 0.000 0.664 291 V HN 0.528 nan 8.190 nan 0.000 0.461 292 E N -1.301 118.695 120.200 -0.340 0.000 2.516 292 E HA -0.108 4.112 4.350 -0.216 0.000 0.199 292 E C 1.574 177.919 176.600 -0.424 0.000 1.069 292 E CA 0.681 56.842 56.400 -0.399 0.000 0.876 292 E CB 0.009 29.460 29.700 -0.415 0.000 0.843 292 E HN 0.796 nan 8.360 nan 0.000 0.530 293 H N -1.503 117.552 119.070 -0.025 0.000 2.827 293 H HA 0.216 4.643 4.556 -0.216 0.000 0.269 293 H C 0.315 175.667 175.328 0.040 0.000 1.031 293 H CA -0.084 55.974 56.048 0.017 0.000 1.202 293 H CB 0.087 29.870 29.762 0.036 0.000 1.511 293 H HN 0.183 nan 8.280 nan 0.000 0.517 294 M N 1.197 120.848 119.600 0.084 0.000 2.240 294 M HA 0.119 4.469 4.480 -0.216 0.000 0.317 294 M C -0.111 176.303 176.300 0.191 0.000 1.087 294 M CA 0.382 55.798 55.300 0.194 0.000 1.176 294 M CB 1.065 33.848 32.600 0.305 0.000 1.439 294 M HN -0.229 nan 8.290 nan 0.000 0.452 295 V N 1.439 121.495 119.914 0.237 0.000 2.482 295 V HA 0.867 4.858 4.120 -0.216 0.000 0.295 295 V C 0.228 176.256 176.094 -0.111 0.000 1.026 295 V CA -0.121 62.173 62.300 -0.009 0.000 0.856 295 V CB 1.162 32.707 31.823 -0.464 0.000 1.001 295 V HN 1.120 nan 8.190 nan 0.000 0.424 296 G N 3.814 112.517 108.800 -0.162 0.000 2.367 296 G HA2 0.341 4.172 3.960 -0.216 0.000 0.272 296 G HA3 0.341 4.172 3.960 -0.216 0.000 0.272 296 G C -2.007 172.610 174.900 -0.472 0.000 1.271 296 G CA -0.839 43.842 45.100 -0.698 0.000 0.893 296 G HN 0.567 nan 8.290 nan 0.000 0.485 297 L N 1.043 121.872 121.223 -0.657 0.000 2.313 297 L HA 0.780 4.990 4.340 -0.216 0.000 0.282 297 L C -0.114 176.447 176.870 -0.515 0.000 1.092 297 L CA -0.016 54.609 54.840 -0.359 0.000 0.831 297 L CB 0.111 42.017 42.059 -0.255 0.000 1.159 297 L HN 0.534 nan 8.230 nan 0.000 0.442 298 F N 4.149 124.048 119.950 -0.085 0.000 2.570 298 F HA 0.287 4.685 4.527 -0.216 0.000 0.290 298 F C 0.818 176.587 175.800 -0.051 0.000 0.910 298 F CA -0.310 57.609 58.000 -0.135 0.000 1.119 298 F CB -0.267 38.622 39.000 -0.184 0.000 0.922 298 F HN 0.368 nan 8.300 nan 0.000 0.703 299 I N 0.678 121.351 120.570 0.171 0.000 2.813 299 I HA 0.305 4.346 4.170 -0.216 0.000 0.287 299 I C -0.413 175.763 176.117 0.098 0.000 1.196 299 I CA 0.038 61.407 61.300 0.115 0.000 1.421 299 I CB 0.652 38.728 38.000 0.127 0.000 1.365 299 I HN 0.167 nan 8.210 nan 0.000 0.591 300 N N 3.547 122.293 118.700 0.077 0.000 2.484 300 N HA 0.476 5.086 4.740 -0.216 0.000 0.269 300 N C -1.650 173.881 175.510 0.034 0.000 1.237 300 N CA -0.575 52.511 53.050 0.059 0.000 0.838 300 N CB 2.419 40.932 38.487 0.044 0.000 1.593 300 N HN 0.515 nan 8.380 nan 0.000 0.485 301 V N 2.014 121.941 119.914 0.022 0.000 2.407 301 V HA 0.620 4.610 4.120 -0.216 0.000 0.278 301 V C 0.068 176.108 176.094 -0.090 0.000 1.037 301 V CA -0.541 61.755 62.300 -0.006 0.000 0.900 301 V CB 0.913 32.764 31.823 0.047 0.000 0.983 301 V HN 0.516 nan 8.190 nan 0.000 0.459 302 V N 3.731 123.574 119.914 -0.119 0.000 3.078 302 V HA 0.790 4.780 4.120 -0.216 0.000 0.311 302 V C -2.996 172.975 176.094 -0.205 0.000 1.138 302 V CA -2.823 59.326 62.300 -0.251 0.000 1.007 302 V CB 2.424 34.084 31.823 -0.273 0.000 1.045 302 V HN 0.630 nan 8.190 nan 0.000 0.432 303 P HA 0.518 nan 4.420 nan 0.000 0.275 303 P C -1.269 175.999 177.300 -0.054 0.000 1.228 303 P CA -0.155 62.836 63.100 -0.180 0.000 0.786 303 P CB 0.545 32.142 31.700 -0.171 0.000 0.927 304 R N 2.110 122.439 120.500 -0.285 0.000 2.393 304 R HA 0.439 4.650 4.340 -0.216 0.000 0.315 304 R C -0.709 175.310 176.300 -0.468 0.000 0.952 304 R CA -0.653 55.270 56.100 -0.294 0.000 0.842 304 R CB 0.873 30.812 30.300 -0.602 0.000 1.163 304 R HN 0.317 nan 8.270 nan 0.000 0.450 305 R N 4.019 124.338 120.500 -0.302 0.000 2.343 305 R HA 0.530 4.740 4.340 -0.216 0.000 0.320 305 R C -1.408 174.707 176.300 -0.309 0.000 0.956 305 R CA -0.676 55.104 56.100 -0.534 0.000 0.836 305 R CB 1.564 31.319 30.300 -0.908 0.000 1.151 305 R HN 0.468 nan 8.270 nan 0.000 0.450 306 V N 4.164 123.964 119.914 -0.190 0.000 2.604 306 V HA 0.511 4.501 4.120 -0.216 0.000 0.305 306 V C -1.216 174.867 176.094 -0.019 0.000 1.043 306 V CA -0.760 61.510 62.300 -0.050 0.000 0.888 306 V CB 1.884 33.744 31.823 0.061 0.000 0.995 306 V HN 0.750 nan 8.190 nan 0.000 0.429 307 K N 7.301 127.693 120.400 -0.013 0.000 2.389 307 K HA 0.472 4.663 4.320 -0.216 0.000 0.261 307 K C -0.921 175.692 176.600 0.021 0.000 1.014 307 K CA -0.471 55.817 56.287 0.003 0.000 0.920 307 K CB 1.769 34.258 32.500 -0.018 0.000 1.149 307 K HN 0.702 nan 8.250 nan 0.000 0.444 308 L N 3.475 124.720 121.223 0.037 0.000 2.404 308 L HA 0.091 4.302 4.340 -0.216 0.000 0.277 308 L C 0.277 177.164 176.870 0.030 0.000 1.184 308 L CA -0.251 54.614 54.840 0.041 0.000 1.013 308 L CB -0.289 41.803 42.059 0.055 0.000 1.318 308 L HN 0.545 nan 8.230 nan 0.000 0.435 309 S N 1.030 116.743 115.700 0.022 0.000 2.569 309 S HA -0.032 4.309 4.470 -0.216 0.000 0.274 309 S C 0.306 174.917 174.600 0.019 0.000 1.353 309 S CA -0.542 57.667 58.200 0.016 0.000 1.023 309 S CB 0.695 63.902 63.200 0.012 0.000 0.876 309 S HN 0.541 nan 8.310 nan 0.000 0.540 310 E N 0.358 120.567 120.200 0.014 0.000 2.558 310 E HA 0.212 4.433 4.350 -0.216 0.000 0.255 310 E C 1.342 177.952 176.600 0.017 0.000 0.968 310 E CA 0.826 57.235 56.400 0.014 0.000 0.939 310 E CB -0.246 29.460 29.700 0.009 0.000 0.921 310 E HN 0.952 nan 8.360 nan 0.000 0.477 311 G N 4.304 113.117 108.800 0.022 0.000 2.212 311 G HA2 -0.343 3.488 3.960 -0.216 0.000 0.266 311 G HA3 -0.343 3.488 3.960 -0.216 0.000 0.266 311 G C 0.498 175.417 174.900 0.032 0.000 0.978 311 G CA 0.206 45.321 45.100 0.025 0.000 0.632 311 G HN 0.686 nan 8.290 nan 0.000 0.537 312 I N 2.798 123.387 120.570 0.032 0.000 2.906 312 I HA 0.263 4.303 4.170 -0.216 0.000 0.302 312 I C 1.446 177.598 176.117 0.058 0.000 1.220 312 I CA 1.215 62.538 61.300 0.037 0.000 1.441 312 I CB 0.547 38.567 38.000 0.033 0.000 1.336 312 I HN 0.482 nan 8.210 nan 0.000 0.565 313 T N 3.858 118.450 114.554 0.064 0.000 2.893 313 T HA 0.214 4.435 4.350 -0.216 0.000 0.279 313 T C 0.718 175.504 174.700 0.144 0.000 0.991 313 T CA -0.387 61.776 62.100 0.105 0.000 0.950 313 T CB 0.901 69.825 68.868 0.093 0.000 1.223 313 T HN 0.553 nan 8.240 nan 0.000 0.585 314 F N 1.591 121.560 119.950 0.032 0.000 2.113 314 F HA -0.012 4.385 4.527 -0.216 0.000 0.297 314 F C 2.179 177.995 175.800 0.027 0.000 1.103 314 F CA 1.597 59.620 58.000 0.038 0.000 1.248 314 F CB -0.691 38.334 39.000 0.041 0.000 0.999 314 F HN 0.468 nan 8.300 nan 0.000 0.475 315 N N 0.454 119.200 118.700 0.077 0.000 2.166 315 N HA -0.109 4.501 4.740 -0.216 0.000 0.186 315 N C 2.163 177.634 175.510 -0.065 0.000 1.019 315 N CA 1.316 54.351 53.050 -0.025 0.000 0.856 315 N CB -1.260 37.253 38.487 0.043 0.000 0.993 315 N HN 0.441 nan 8.380 nan 0.000 0.426 316 G N 1.404 110.190 108.800 -0.023 0.000 2.440 316 G HA2 -0.214 3.616 3.960 -0.216 0.000 0.218 316 G HA3 -0.214 3.616 3.960 -0.216 0.000 0.218 316 G C 1.538 176.402 174.900 -0.060 0.000 1.154 316 G CA 0.635 45.719 45.100 -0.026 0.000 0.767 316 G HN 0.263 nan 8.290 nan 0.000 0.552 317 L N 0.567 121.732 121.223 -0.097 0.000 2.056 317 L HA 0.148 4.358 4.340 -0.216 0.000 0.207 317 L C 2.721 179.481 176.870 -0.183 0.000 1.078 317 L CA 1.231 55.999 54.840 -0.120 0.000 0.749 317 L CB -0.666 41.319 42.059 -0.124 0.000 0.901 317 L HN 0.221 nan 8.230 nan 0.000 0.433 318 L N -0.263 120.768 121.223 -0.320 0.000 2.013 318 L HA -0.306 3.905 4.340 -0.216 0.000 0.212 318 L C 2.695 179.482 176.870 -0.137 0.000 1.073 318 L CA 2.094 56.768 54.840 -0.277 0.000 0.753 318 L CB -0.729 41.134 42.059 -0.326 0.000 0.890 318 L HN 0.368 nan 8.230 nan 0.000 0.432 319 K N 0.329 120.668 120.400 -0.101 0.000 2.009 319 K HA -0.277 3.913 4.320 -0.216 0.000 0.210 319 K C 2.281 178.856 176.600 -0.041 0.000 1.049 319 K CA 1.726 57.980 56.287 -0.055 0.000 0.929 319 K CB -0.084 32.394 32.500 -0.036 0.000 0.714 319 K HN -0.024 nan 8.250 nan 0.000 0.440 320 R N 0.681 121.159 120.500 -0.037 0.000 2.136 320 R HA -0.165 4.046 4.340 -0.216 0.000 0.242 320 R C 2.302 178.598 176.300 -0.006 0.000 1.131 320 R CA 2.177 58.267 56.100 -0.016 0.000 0.937 320 R CB -0.546 29.747 30.300 -0.012 0.000 0.863 320 R HN 0.295 nan 8.270 nan 0.000 0.435 321 L N -0.667 120.545 121.223 -0.018 0.000 2.056 321 L HA -0.147 4.064 4.340 -0.216 0.000 0.207 321 L C 2.574 179.436 176.870 -0.013 0.000 1.078 321 L CA 1.251 56.091 54.840 0.000 0.000 0.749 321 L CB -0.425 41.635 42.059 0.000 0.000 0.901 321 L HN 0.290 nan 8.230 nan 0.000 0.433 322 Q N 0.252 120.031 119.800 -0.036 0.000 2.119 322 Q HA -0.223 3.988 4.340 -0.216 0.000 0.201 322 Q C 2.060 178.038 176.000 -0.036 0.000 0.972 322 Q CA 1.530 57.309 55.803 -0.041 0.000 0.847 322 Q CB -0.109 28.600 28.738 -0.048 0.000 0.903 322 Q HN 0.300 nan 8.270 nan 0.000 0.433 323 E N -0.054 120.130 120.200 -0.028 0.000 2.038 323 E HA -0.272 3.949 4.350 -0.216 0.000 0.195 323 E C 1.842 178.428 176.600 -0.022 0.000 1.000 323 E CA 1.818 58.203 56.400 -0.024 0.000 0.803 323 E CB -0.006 29.685 29.700 -0.015 0.000 0.750 323 E HN 0.577 nan 8.360 nan 0.000 0.448 324 Q N 0.254 120.052 119.800 -0.004 0.000 2.224 324 Q HA -0.020 4.190 4.340 -0.216 0.000 0.203 324 Q C 2.071 178.044 176.000 -0.046 0.000 0.970 324 Q CA 1.836 57.635 55.803 -0.006 0.000 0.865 324 Q CB -0.413 28.356 28.738 0.051 0.000 0.922 324 Q HN -0.024 nan 8.270 nan 0.000 0.445 325 S N 0.528 116.208 115.700 -0.034 0.000 2.359 325 S HA -0.147 4.193 4.470 -0.216 0.000 0.223 325 S C 1.680 176.235 174.600 -0.074 0.000 1.039 325 S CA 1.523 59.696 58.200 -0.045 0.000 1.042 325 S CB -0.481 62.695 63.200 -0.040 0.000 0.915 325 S HN 0.446 nan 8.310 nan 0.000 0.439 326 L N 1.146 122.323 121.223 -0.077 0.000 1.955 326 L HA -0.243 3.968 4.340 -0.216 0.000 0.213 326 L C 2.769 179.559 176.870 -0.135 0.000 1.072 326 L CA 1.654 56.436 54.840 -0.096 0.000 0.755 326 L CB -0.713 41.298 42.059 -0.079 0.000 0.888 326 L HN 0.388 nan 8.230 nan 0.000 0.432 327 Q N -0.492 119.234 119.800 -0.124 0.000 2.197 327 Q HA -0.279 3.931 4.340 -0.216 0.000 0.211 327 Q C 2.244 178.022 176.000 -0.371 0.000 0.993 327 Q CA 2.232 57.930 55.803 -0.176 0.000 0.883 327 Q CB -0.327 28.375 28.738 -0.059 0.000 0.916 327 Q HN 0.639 nan 8.270 nan 0.000 0.418 328 S N -0.171 115.348 115.700 -0.303 0.000 2.453 328 S HA -0.120 4.220 4.470 -0.216 0.000 0.231 328 S C 1.573 176.008 174.600 -0.275 0.000 1.005 328 S CA 0.680 58.647 58.200 -0.388 0.000 0.949 328 S CB -0.037 63.079 63.200 -0.140 0.000 0.774 328 S HN 0.305 nan 8.310 nan 0.000 0.510 329 E N 1.991 122.066 120.200 -0.209 0.000 2.086 329 E HA -0.132 4.089 4.350 -0.216 0.000 0.200 329 E C -0.880 175.659 176.600 -0.103 0.000 1.012 329 E CA 1.754 58.078 56.400 -0.127 0.000 0.812 329 E CB -0.925 28.697 29.700 -0.129 0.000 0.743 329 E HN 0.562 nan 8.360 nan 0.000 0.453 330 P HA -0.082 nan 4.420 nan 0.000 0.237 330 P C 0.118 177.361 177.300 -0.095 0.000 1.178 330 P CA 1.087 64.106 63.100 -0.134 0.000 0.766 330 P CB 0.179 31.623 31.700 -0.427 0.000 0.876 331 H N -1.685 117.421 119.070 0.059 0.000 2.674 331 H HA 0.274 4.700 4.556 -0.216 0.000 0.274 331 H C 1.105 176.507 175.328 0.124 0.000 1.121 331 H CA 0.024 56.062 56.048 -0.018 0.000 1.132 331 H CB 0.172 29.745 29.762 -0.316 0.000 1.606 331 H HN 0.278 nan 8.280 nan 0.000 0.558 332 Q N 0.433 120.400 119.800 0.278 0.000 2.451 332 Q HA -0.053 4.157 4.340 -0.216 0.000 0.206 332 Q C 1.084 177.202 176.000 0.197 0.000 0.947 332 Q CA 0.441 56.392 55.803 0.248 0.000 0.937 332 Q CB 0.068 28.925 28.738 0.198 0.000 1.025 332 Q HN 0.641 nan 8.270 nan 0.000 0.511 333 Y N -2.325 118.146 120.300 0.286 0.000 2.561 333 Y HA 0.180 4.601 4.550 -0.216 0.000 0.291 333 Y C 0.475 176.449 175.900 0.124 0.000 1.141 333 Y CA -0.374 57.873 58.100 0.244 0.000 1.303 333 Y CB -0.175 38.471 38.460 0.310 0.000 1.015 333 Y HN -0.285 nan 8.280 nan 0.000 0.547 334 V N 4.550 124.235 119.914 -0.382 0.000 2.508 334 V HA 0.158 4.148 4.120 -0.216 0.000 0.281 334 V C -2.110 173.791 176.094 -0.321 0.000 1.041 334 V CA -1.980 60.117 62.300 -0.339 0.000 1.016 334 V CB 0.535 32.167 31.823 -0.318 0.000 0.984 334 V HN 0.079 nan 8.190 nan 0.000 0.478 335 P HA 0.058 nan 4.420 nan 0.000 0.268 335 P C 0.662 177.494 177.300 -0.780 0.000 1.205 335 P CA -0.346 62.368 63.100 -0.642 0.000 0.771 335 P CB 0.664 31.698 31.700 -1.110 0.000 0.858 336 L N 4.488 125.362 121.223 -0.582 0.000 2.129 336 L HA -0.212 3.999 4.340 -0.216 0.000 0.212 336 L C 1.852 178.455 176.870 -0.444 0.000 1.087 336 L CA 1.925 56.501 54.840 -0.441 0.000 0.757 336 L CB -1.478 40.458 42.059 -0.206 0.000 0.896 336 L HN 0.475 nan 8.230 nan 0.000 0.434 337 Y N -3.435 116.661 120.300 -0.339 0.000 2.457 337 Y HA 0.053 4.473 4.550 -0.216 0.000 0.292 337 Y C 1.926 177.544 175.900 -0.470 0.000 1.125 337 Y CA 0.551 58.329 58.100 -0.535 0.000 1.254 337 Y CB -0.990 36.816 38.460 -1.089 0.000 1.012 337 Y HN 0.120 nan 8.280 nan 0.000 0.555 338 D N 1.282 121.359 120.400 -0.538 0.000 2.123 338 D HA -0.094 4.417 4.640 -0.216 0.000 0.200 338 D C 2.155 178.315 176.300 -0.233 0.000 0.976 338 D CA 1.205 55.059 54.000 -0.244 0.000 0.831 338 D CB -0.216 40.452 40.800 -0.222 0.000 0.974 338 D HN 0.425 nan 8.370 nan 0.000 0.469 339 I N 0.617 120.973 120.570 -0.355 0.000 2.248 339 I HA -0.305 3.736 4.170 -0.216 0.000 0.248 339 I C 2.423 178.429 176.117 -0.185 0.000 1.107 339 I CA 1.228 62.327 61.300 -0.335 0.000 1.373 339 I CB -0.193 37.441 38.000 -0.609 0.000 1.055 339 I HN 0.068 nan 8.210 nan 0.000 0.418 340 Q N 0.676 120.375 119.800 -0.170 0.000 2.163 340 Q HA -0.152 4.059 4.340 -0.216 0.000 0.198 340 Q C 2.373 178.338 176.000 -0.059 0.000 0.954 340 Q CA 1.615 57.374 55.803 -0.074 0.000 0.851 340 Q CB 0.088 28.807 28.738 -0.032 0.000 0.928 340 Q HN 0.544 nan 8.270 nan 0.000 0.459 341 S N 0.645 116.263 115.700 -0.136 0.000 2.392 341 S HA -0.254 4.087 4.470 -0.216 0.000 0.232 341 S C 0.851 175.376 174.600 -0.125 0.000 1.041 341 S CA 1.308 59.318 58.200 -0.316 0.000 1.026 341 S CB -0.450 62.356 63.200 -0.656 0.000 0.845 341 S HN 0.580 nan 8.310 nan 0.000 0.465 342 Q N 0.077 119.849 119.800 -0.045 0.000 2.425 342 Q HA 0.781 4.992 4.340 -0.216 0.000 0.254 342 Q C -0.162 175.862 176.000 0.040 0.000 1.032 342 Q CA -0.305 55.517 55.803 0.031 0.000 0.798 342 Q CB 1.626 30.396 28.738 0.053 0.000 1.210 342 Q HN 0.343 nan 8.270 nan 0.000 0.491 343 A N 3.034 125.890 122.820 0.061 0.000 2.018 343 A HA 0.153 4.343 4.320 -0.216 0.000 0.165 343 A C 0.226 177.866 177.584 0.094 0.000 1.969 343 A CA 0.702 52.781 52.037 0.071 0.000 1.528 343 A CB 0.175 19.207 19.000 0.053 0.000 1.630 343 A HN 0.734 nan 8.150 nan 0.000 0.325 344 D N -1.802 118.657 120.400 0.099 0.000 2.001 344 D HA -0.121 4.389 4.640 -0.216 0.000 0.175 344 D C 0.115 176.477 176.300 0.104 0.000 1.313 344 D CA 1.735 55.796 54.000 0.103 0.000 1.259 344 D CB -0.686 40.169 40.800 0.092 0.000 1.284 344 D HN 0.403 nan 8.370 nan 0.000 0.549 345 Q N 0.590 120.457 119.800 0.112 0.000 2.340 345 Q HA 0.303 4.513 4.340 -0.216 0.000 0.259 345 Q C -1.657 174.413 176.000 0.117 0.000 0.964 345 Q CA -1.579 54.292 55.803 0.114 0.000 0.900 345 Q CB 1.443 30.276 28.738 0.159 0.000 1.228 345 Q HN 0.202 nan 8.270 nan 0.000 0.449 346 P HA -0.188 nan 4.420 nan 0.000 0.199 346 P C 0.080 177.456 177.300 0.126 0.000 1.118 346 P CA 0.830 64.007 63.100 0.129 0.000 0.913 346 P CB 0.224 32.004 31.700 0.132 0.000 0.738 347 K N 0.365 120.834 120.400 0.114 0.000 1.985 347 K HA 0.003 4.193 4.320 -0.216 0.000 0.234 347 K C 1.090 177.775 176.600 0.142 0.000 1.140 347 K CA -0.254 56.108 56.287 0.124 0.000 1.141 347 K CB -0.499 32.053 32.500 0.087 0.000 1.165 347 K HN -0.061 nan 8.250 nan 0.000 0.301 348 L N 5.602 126.916 121.223 0.153 0.000 2.056 348 L HA 0.189 4.399 4.340 -0.216 0.000 0.202 348 L C 0.599 177.560 176.870 0.152 0.000 1.086 348 L CA 1.079 56.019 54.840 0.167 0.000 0.758 348 L CB -0.109 42.008 42.059 0.096 0.000 0.912 348 L HN 0.617 nan 8.230 nan 0.000 0.446 349 I N -3.047 117.586 120.570 0.105 0.000 2.577 349 I HA 0.432 4.472 4.170 -0.216 0.000 0.305 349 I C 0.187 176.429 176.117 0.208 0.000 0.986 349 I CA -0.418 60.930 61.300 0.080 0.000 1.189 349 I CB 1.503 39.467 38.000 -0.060 0.000 1.355 349 I HN 0.030 nan 8.210 nan 0.000 0.476 350 D N 0.434 120.959 120.400 0.209 0.000 2.504 350 D HA 0.106 4.616 4.640 -0.216 0.000 0.276 350 D C -0.102 176.472 176.300 0.456 0.000 1.073 350 D CA 0.873 55.105 54.000 0.385 0.000 0.905 350 D CB 0.595 41.658 40.800 0.438 0.000 1.350 350 D HN 0.800 nan 8.370 nan 0.000 0.496 351 H N -0.785 118.304 119.070 0.031 0.000 2.990 351 H HA 0.532 4.958 4.556 -0.216 0.000 0.343 351 H C -0.528 174.618 175.328 -0.304 0.000 1.270 351 H CA -1.009 55.000 56.048 -0.066 0.000 1.118 351 H CB 1.005 30.846 29.762 0.132 0.000 1.861 351 H HN -0.001 nan 8.280 nan 0.000 0.544 352 I N -0.936 119.447 120.570 -0.311 0.000 2.865 352 I HA 0.580 4.621 4.170 -0.216 0.000 0.302 352 I C -1.173 174.816 176.117 -0.213 0.000 1.140 352 I CA -1.282 59.825 61.300 -0.323 0.000 1.021 352 I CB 2.764 40.547 38.000 -0.360 0.000 1.233 352 I HN 0.406 nan 8.210 nan 0.000 0.427 353 I N 4.701 125.167 120.570 -0.172 0.000 2.378 353 I HA 0.496 4.536 4.170 -0.216 0.000 0.291 353 I C -0.743 175.329 176.117 -0.075 0.000 0.992 353 I CA -0.995 60.188 61.300 -0.194 0.000 1.154 353 I CB 2.015 39.881 38.000 -0.225 0.000 1.315 353 I HN 0.331 nan 8.210 nan 0.000 0.448 354 V N 6.288 126.158 119.914 -0.075 0.000 2.531 354 V HA 0.344 4.334 4.120 -0.216 0.000 0.301 354 V C -0.787 175.314 176.094 0.011 0.000 1.034 354 V CA -0.681 61.604 62.300 -0.026 0.000 0.865 354 V CB 1.923 33.712 31.823 -0.056 0.000 0.995 354 V HN 0.477 nan 8.190 nan 0.000 0.424 355 F N 3.318 123.220 119.950 -0.081 0.000 2.293 355 F HA 0.431 4.828 4.527 -0.216 0.000 0.370 355 F C 0.706 176.448 175.800 -0.097 0.000 1.090 355 F CA -0.476 57.476 58.000 -0.080 0.000 1.133 355 F CB 0.914 39.878 39.000 -0.060 0.000 1.360 355 F HN 0.701 nan 8.300 nan 0.000 0.489 356 E N 5.124 125.189 120.200 -0.224 0.000 2.292 356 E HA -0.083 4.138 4.350 -0.216 0.000 0.265 356 E C 1.278 177.812 176.600 -0.109 0.000 1.093 356 E CA -0.040 56.290 56.400 -0.116 0.000 0.922 356 E CB 0.295 29.941 29.700 -0.091 0.000 1.001 356 E HN 0.726 nan 8.360 nan 0.000 0.444 357 N N 3.509 122.147 118.700 -0.103 0.000 2.150 357 N HA -0.269 4.342 4.740 -0.216 0.000 0.196 357 N C -0.636 174.596 175.510 -0.463 0.000 0.982 357 N CA 1.777 54.627 53.050 -0.333 0.000 0.896 357 N CB -0.064 38.037 38.487 -0.643 0.000 1.077 357 N HN 0.512 nan 8.380 nan 0.000 0.621 358 Y N 0.157 120.648 120.300 0.317 0.000 2.317 358 Y HA 0.395 4.815 4.550 -0.216 0.000 0.329 358 Y C -2.157 173.842 175.900 0.164 0.000 1.101 358 Y CA -2.136 56.107 58.100 0.238 0.000 1.228 358 Y CB 1.639 40.271 38.460 0.287 0.000 1.123 358 Y HN 0.099 nan 8.280 nan 0.000 0.457 359 P HA 0.003 nan 4.420 nan 0.000 0.266 359 P C 1.114 178.470 177.300 0.093 0.000 1.195 359 P CA -0.035 63.122 63.100 0.095 0.000 0.768 359 P CB 1.116 32.823 31.700 0.011 0.000 0.838 360 L N 0.909 122.175 121.223 0.072 0.000 2.081 360 L HA -0.227 3.983 4.340 -0.216 0.000 0.212 360 L C 2.226 179.115 176.870 0.030 0.000 1.080 360 L CA 2.051 56.920 54.840 0.047 0.000 0.754 360 L CB -2.115 39.980 42.059 0.060 0.000 0.893 360 L HN 0.315 nan 8.230 nan 0.000 0.433 361 Q N 1.643 121.454 119.800 0.019 0.000 1.942 361 Q HA -0.210 4.001 4.340 -0.216 0.000 0.203 361 Q C 1.759 177.777 176.000 0.030 0.000 0.987 361 Q CA 2.653 58.467 55.803 0.019 0.000 0.844 361 Q CB -0.346 28.391 28.738 -0.001 0.000 0.911 361 Q HN 0.598 nan 8.270 nan 0.000 0.423 362 D N -0.302 120.115 120.400 0.029 0.000 2.149 362 D HA -0.024 4.486 4.640 -0.216 0.000 0.201 362 D C 1.580 177.904 176.300 0.040 0.000 0.972 362 D CA 1.374 55.394 54.000 0.033 0.000 0.835 362 D CB -0.217 40.602 40.800 0.032 0.000 0.966 362 D HN 0.426 nan 8.370 nan 0.000 0.476 363 A N 0.749 123.598 122.820 0.047 0.000 1.898 363 A HA -0.106 4.085 4.320 -0.216 0.000 0.214 363 A C 1.855 179.450 177.584 0.018 0.000 1.183 363 A CA 0.982 53.036 52.037 0.028 0.000 0.622 363 A CB -0.193 18.828 19.000 0.035 0.000 0.824 363 A HN 0.052 nan 8.150 nan 0.000 0.444 364 K N 0.365 120.782 120.400 0.029 0.000 2.432 364 K HA 0.020 4.210 4.320 -0.216 0.000 0.196 364 K C 0.000 176.650 176.600 0.083 0.000 1.038 364 K CA 0.592 56.910 56.287 0.052 0.000 0.986 364 K CB -0.094 32.435 32.500 0.049 0.000 0.782 364 K HN 0.492 nan 8.250 nan 0.000 0.485 365 N N 2.066 120.804 118.700 0.062 0.000 2.758 365 N HA 0.051 4.662 4.740 -0.216 0.000 0.293 365 N C -1.102 174.430 175.510 0.037 0.000 1.273 365 N CA 0.142 53.232 53.050 0.066 0.000 1.022 365 N CB 0.463 38.989 38.487 0.065 0.000 1.334 365 N HN 0.162 nan 8.380 nan 0.000 0.519 366 E N 0.883 121.095 120.200 0.020 0.000 2.244 366 E HA 0.171 4.392 4.350 -0.216 0.000 0.260 366 E C -1.142 175.439 176.600 -0.032 0.000 0.884 366 E CA -0.610 55.789 56.400 -0.003 0.000 0.777 366 E CB 1.405 31.105 29.700 -0.001 0.000 1.197 366 E HN 0.018 nan 8.360 nan 0.000 0.416 367 E N 1.025 121.201 120.200 -0.039 0.000 4.220 367 E HA -0.152 4.068 4.350 -0.216 0.000 0.160 367 E C 0.361 176.887 176.600 -0.122 0.000 1.630 367 E CA 0.764 57.127 56.400 -0.062 0.000 0.960 367 E CB -1.393 28.276 29.700 -0.051 0.000 1.061 367 E HN 0.588 nan 8.360 nan 0.000 0.360 368 S N -0.375 115.254 115.700 -0.118 0.000 2.507 368 S HA -0.180 4.160 4.470 -0.216 0.000 0.235 368 S C 2.013 176.529 174.600 -0.139 0.000 0.988 368 S CA 0.940 59.035 58.200 -0.175 0.000 0.944 368 S CB 0.207 63.357 63.200 -0.083 0.000 0.762 368 S HN 0.504 nan 8.310 nan 0.000 0.526 369 S N 1.861 117.507 115.700 -0.089 0.000 2.368 369 S HA -0.232 4.108 4.470 -0.216 0.000 0.226 369 S C 1.976 176.527 174.600 -0.081 0.000 1.044 369 S CA 1.579 59.740 58.200 -0.065 0.000 1.062 369 S CB -0.443 62.730 63.200 -0.045 0.000 0.931 369 S HN 0.565 nan 8.310 nan 0.000 0.440 370 E N 0.620 120.758 120.200 -0.104 0.000 2.122 370 E HA 0.073 4.293 4.350 -0.216 0.000 0.190 370 E C 1.867 178.378 176.600 -0.148 0.000 0.977 370 E CA 0.617 56.958 56.400 -0.099 0.000 0.820 370 E CB -0.458 29.197 29.700 -0.074 0.000 0.770 370 E HN 0.517 nan 8.360 nan 0.000 0.462 371 N N -0.384 118.138 118.700 -0.296 0.000 2.376 371 N HA -0.016 4.594 4.740 -0.216 0.000 0.177 371 N C 1.151 176.441 175.510 -0.367 0.000 1.024 371 N CA 1.137 53.876 53.050 -0.518 0.000 0.893 371 N CB 0.405 38.153 38.487 -1.232 0.000 0.980 371 N HN 0.269 nan 8.380 nan 0.000 0.439 372 G N -0.131 108.525 108.800 -0.240 0.000 2.159 372 G HA2 -0.237 3.594 3.960 -0.216 0.000 0.256 372 G HA3 -0.237 3.594 3.960 -0.216 0.000 0.256 372 G C -0.054 174.905 174.900 0.099 0.000 0.977 372 G CA 0.680 45.768 45.100 -0.019 0.000 0.652 372 G HN 0.477 nan 8.290 nan 0.000 0.531 373 F N -1.933 118.023 119.950 0.010 0.000 2.693 373 F HA 0.751 5.149 4.527 -0.216 0.000 0.309 373 F C -1.251 174.558 175.800 0.016 0.000 1.129 373 F CA -1.786 56.231 58.000 0.029 0.000 0.948 373 F CB 1.007 40.029 39.000 0.037 0.000 1.315 373 F HN -0.082 nan 8.300 nan 0.000 0.447 374 D N 2.443 123.026 120.400 0.305 0.000 2.193 374 D HA 0.326 4.837 4.640 -0.216 0.000 0.244 374 D C -0.855 175.648 176.300 0.338 0.000 1.064 374 D CA -0.187 53.937 54.000 0.207 0.000 0.845 374 D CB 2.145 43.029 40.800 0.139 0.000 1.148 374 D HN 0.656 nan 8.370 nan 0.000 0.464 375 M N 3.759 123.532 119.600 0.288 0.000 2.435 375 M HA 0.024 4.375 4.480 -0.216 0.000 0.344 375 M C 1.483 177.891 176.300 0.179 0.000 1.329 375 M CA -0.496 54.971 55.300 0.278 0.000 1.320 375 M CB 0.967 33.737 32.600 0.284 0.000 1.309 375 M HN 0.299 nan 8.290 nan 0.000 0.451 376 V N 0.470 120.483 119.914 0.164 0.000 2.427 376 V HA -0.034 3.956 4.120 -0.216 0.000 0.248 376 V C 0.369 176.525 176.094 0.103 0.000 1.051 376 V CA 1.435 63.805 62.300 0.116 0.000 1.048 376 V CB -0.314 31.570 31.823 0.103 0.000 0.666 376 V HN 0.772 nan 8.190 nan 0.000 0.456 377 D N -1.945 118.525 120.400 0.118 0.000 2.645 377 D HA 0.639 5.149 4.640 -0.216 0.000 0.228 377 D C -1.257 175.116 176.300 0.122 0.000 1.148 377 D CA -0.384 53.680 54.000 0.106 0.000 0.860 377 D CB 2.685 43.541 40.800 0.094 0.000 1.548 377 D HN 0.094 nan 8.370 nan 0.000 0.460 378 V N 2.327 122.309 119.914 0.113 0.000 3.007 378 V HA 0.540 4.530 4.120 -0.216 0.000 0.311 378 V C -1.172 175.013 176.094 0.152 0.000 1.120 378 V CA -0.697 61.670 62.300 0.110 0.000 0.980 378 V CB 2.147 34.010 31.823 0.067 0.000 1.033 378 V HN 0.727 nan 8.190 nan 0.000 0.429 379 H N 2.539 121.623 119.070 0.023 0.000 3.179 379 H HA 0.491 4.917 4.556 -0.216 0.000 0.331 379 H C -1.614 173.720 175.328 0.009 0.000 1.013 379 H CA -0.176 55.883 56.048 0.018 0.000 1.430 379 H CB 1.992 31.775 29.762 0.035 0.000 1.895 379 H HN 0.662 nan 8.280 nan 0.000 0.468 380 V N 3.703 123.355 119.914 -0.437 0.000 2.716 380 V HA 0.479 4.470 4.120 -0.216 0.000 0.304 380 V C -0.455 175.383 176.094 -0.427 0.000 1.053 380 V CA -0.795 61.309 62.300 -0.326 0.000 0.984 380 V CB 1.459 33.124 31.823 -0.265 0.000 1.021 380 V HN 0.550 nan 8.190 nan 0.000 0.467 381 F N 4.040 123.807 119.950 -0.305 0.000 2.424 381 F HA 0.680 5.077 4.527 -0.216 0.000 0.356 381 F C -0.077 175.584 175.800 -0.232 0.000 1.110 381 F CA -0.423 57.451 58.000 -0.209 0.000 1.161 381 F CB 0.852 39.781 39.000 -0.118 0.000 1.115 381 F HN 0.779 nan 8.300 nan 0.000 0.507 382 E N 4.270 124.055 120.200 -0.693 0.000 2.171 382 E HA 0.374 4.594 4.350 -0.216 0.000 0.271 382 E C -1.544 174.539 176.600 -0.861 0.000 0.916 382 E CA -1.122 54.875 56.400 -0.672 0.000 0.774 382 E CB 1.199 30.682 29.700 -0.362 0.000 1.128 382 E HN 0.383 nan 8.360 nan 0.000 0.403 383 K N 1.134 121.060 120.400 -0.790 0.000 2.253 383 K HA 0.336 4.526 4.320 -0.216 0.000 0.277 383 K C -0.662 175.649 176.600 -0.483 0.000 1.053 383 K CA -0.547 55.338 56.287 -0.670 0.000 0.892 383 K CB 1.168 33.304 32.500 -0.607 0.000 1.102 383 K HN 0.536 nan 8.250 nan 0.000 0.469 384 S N 1.792 117.149 115.700 -0.572 0.000 2.519 384 S HA 0.033 4.374 4.470 -0.216 0.000 0.320 384 S C 0.515 174.790 174.600 -0.541 0.000 1.179 384 S CA -0.526 57.221 58.200 -0.756 0.000 1.173 384 S CB -0.027 62.119 63.200 -1.757 0.000 1.224 384 S HN 0.695 nan 8.310 nan 0.000 0.542 385 N N 1.572 120.125 118.700 -0.246 0.000 2.454 385 N HA 0.186 4.797 4.740 -0.216 0.000 0.177 385 N C -0.796 174.533 175.510 -0.301 0.000 1.049 385 N CA 0.138 53.046 53.050 -0.237 0.000 0.887 385 N CB 0.312 38.658 38.487 -0.235 0.000 1.095 385 N HN 0.614 nan 8.380 nan 0.000 0.446 386 Y N 0.024 120.423 120.300 0.165 0.000 2.487 386 Y HA 0.272 4.693 4.550 -0.216 0.000 0.337 386 Y C 0.446 176.594 175.900 0.414 0.000 1.076 386 Y CA -1.007 57.250 58.100 0.263 0.000 1.115 386 Y CB 1.277 39.872 38.460 0.225 0.000 1.235 386 Y HN -0.081 nan 8.280 nan 0.000 0.468 387 D N 1.062 121.789 120.400 0.546 0.000 2.312 387 D HA -0.004 4.506 4.640 -0.216 0.000 0.211 387 D C -0.358 176.291 176.300 0.582 0.000 0.964 387 D CA 1.137 55.413 54.000 0.459 0.000 0.877 387 D CB 0.384 41.379 40.800 0.326 0.000 0.924 387 D HN 0.312 nan 8.370 nan 0.000 0.515 388 L N 0.324 121.884 121.223 0.561 0.000 2.493 388 L HA 0.335 4.545 4.340 -0.216 0.000 0.265 388 L C -1.723 175.338 176.870 0.318 0.000 0.954 388 L CA -0.598 54.502 54.840 0.432 0.000 0.844 388 L CB 1.899 44.163 42.059 0.340 0.000 1.302 388 L HN -0.271 nan 8.230 nan 0.000 0.405 389 N N 6.269 125.090 118.700 0.201 0.000 2.410 389 N HA 0.377 4.987 4.740 -0.216 0.000 0.287 389 N C -1.582 173.891 175.510 -0.061 0.000 1.044 389 N CA -0.619 52.472 53.050 0.068 0.000 0.881 389 N CB 2.960 41.500 38.487 0.088 0.000 1.405 389 N HN 0.481 nan 8.380 nan 0.000 0.490 390 L N 4.191 125.279 121.223 -0.225 0.000 2.264 390 L HA 0.522 4.732 4.340 -0.216 0.000 0.289 390 L C -0.565 176.165 176.870 -0.233 0.000 1.044 390 L CA -0.223 54.420 54.840 -0.327 0.000 0.807 390 L CB 0.571 42.209 42.059 -0.701 0.000 1.192 390 L HN 0.523 nan 8.230 nan 0.000 0.425 391 M N 4.662 124.145 119.600 -0.196 0.000 2.386 391 M HA 0.771 5.121 4.480 -0.216 0.000 0.293 391 M C -1.212 174.943 176.300 -0.241 0.000 1.120 391 M CA -0.666 54.524 55.300 -0.184 0.000 0.909 391 M CB 2.036 34.546 32.600 -0.149 0.000 1.661 391 M HN 0.492 nan 8.290 nan 0.000 0.452 392 A N 1.790 124.435 122.820 -0.292 0.000 2.515 392 A HA 0.941 5.131 4.320 -0.216 0.000 0.298 392 A C -0.786 176.300 177.584 -0.829 0.000 1.059 392 A CA -0.575 51.202 52.037 -0.434 0.000 0.698 392 A CB 1.846 20.703 19.000 -0.239 0.000 1.289 392 A HN 0.967 nan 8.150 nan 0.000 0.404 393 S N 1.331 116.609 115.700 -0.704 0.000 2.549 393 S HA 0.871 5.212 4.470 -0.216 0.000 0.280 393 S C -3.156 171.193 174.600 -0.417 0.000 1.109 393 S CA -1.528 56.229 58.200 -0.739 0.000 0.905 393 S CB 1.895 64.887 63.200 -0.347 0.000 1.081 393 S HN 0.557 nan 8.310 nan 0.000 0.477 394 P HA 0.562 nan 4.420 nan 0.000 0.272 394 P C 0.189 177.543 177.300 0.090 0.000 1.230 394 P CA 0.152 63.345 63.100 0.156 0.000 0.788 394 P CB 0.592 32.493 31.700 0.335 0.000 0.949 395 G N 0.459 109.325 108.800 0.110 0.000 2.368 395 G HA2 0.138 3.968 3.960 -0.216 0.000 0.293 395 G HA3 0.138 3.968 3.960 -0.216 0.000 0.293 395 G C -0.077 174.869 174.900 0.077 0.000 1.467 395 G CA -0.519 44.625 45.100 0.074 0.000 0.804 395 G HN 0.272 nan 8.290 nan 0.000 0.535 396 D N 0.158 120.594 120.400 0.059 0.000 2.126 396 D HA -0.081 4.430 4.640 -0.216 0.000 0.190 396 D C 1.100 177.434 176.300 0.056 0.000 1.001 396 D CA 1.971 56.005 54.000 0.057 0.000 0.841 396 D CB 0.143 40.968 40.800 0.042 0.000 0.949 396 D HN 0.743 nan 8.370 nan 0.000 0.446 397 E N 0.146 120.371 120.200 0.040 0.000 2.158 397 E HA 0.329 4.549 4.350 -0.216 0.000 0.271 397 E C -0.249 176.359 176.600 0.014 0.000 0.911 397 E CA -0.682 55.737 56.400 0.031 0.000 0.767 397 E CB 2.018 31.732 29.700 0.022 0.000 1.120 397 E HN 0.006 nan 8.360 nan 0.000 0.405 398 M N 4.019 123.624 119.600 0.008 0.000 2.217 398 M HA 0.082 4.433 4.480 -0.216 0.000 0.352 398 M C -1.242 174.999 176.300 -0.099 0.000 1.376 398 M CA -0.565 54.724 55.300 -0.017 0.000 1.107 398 M CB 0.320 32.920 32.600 -0.000 0.000 1.723 398 M HN 0.513 nan 8.290 nan 0.000 0.461 399 L N 7.702 128.848 121.223 -0.128 0.000 2.385 399 L HA 0.337 4.547 4.340 -0.216 0.000 0.281 399 L C -0.191 176.501 176.870 -0.298 0.000 1.106 399 L CA 0.513 55.240 54.840 -0.188 0.000 0.856 399 L CB -0.356 41.614 42.059 -0.149 0.000 1.186 399 L HN 0.615 nan 8.230 nan 0.000 0.453 400 I N 3.627 123.926 120.570 -0.451 0.000 2.460 400 I HA 0.454 4.494 4.170 -0.216 0.000 0.298 400 I C 0.125 175.830 176.117 -0.687 0.000 0.989 400 I CA -0.796 60.117 61.300 -0.646 0.000 1.173 400 I CB 1.872 39.267 38.000 -1.008 0.000 1.338 400 I HN 0.502 nan 8.210 nan 0.000 0.456 401 K N 6.631 126.762 120.400 -0.448 0.000 2.471 401 K HA 0.539 4.729 4.320 -0.216 0.000 0.252 401 K C -1.746 174.787 176.600 -0.111 0.000 0.938 401 K CA -0.606 55.538 56.287 -0.238 0.000 0.796 401 K CB 1.842 34.256 32.500 -0.143 0.000 1.161 401 K HN 0.579 nan 8.250 nan 0.000 0.425 402 L N 3.557 124.820 121.223 0.066 0.000 2.262 402 L HA 0.472 4.683 4.340 -0.216 0.000 0.288 402 L C -0.383 176.624 176.870 0.229 0.000 1.035 402 L CA -0.565 54.347 54.840 0.120 0.000 0.820 402 L CB 1.553 43.696 42.059 0.141 0.000 1.204 402 L HN 0.707 nan 8.230 nan 0.000 0.424 403 A N 4.717 127.657 122.820 0.200 0.000 2.287 403 A HA 0.734 4.925 4.320 -0.216 0.000 0.317 403 A C -1.197 176.597 177.584 0.351 0.000 1.220 403 A CA -0.344 51.828 52.037 0.226 0.000 0.835 403 A CB 0.582 19.645 19.000 0.104 0.000 1.180 403 A HN 0.644 nan 8.150 nan 0.000 0.500 404 Y N 0.522 120.936 120.300 0.189 0.000 2.625 404 Y HA 0.678 5.099 4.550 -0.216 0.000 0.338 404 Y C -0.803 175.176 175.900 0.132 0.000 1.123 404 Y CA -1.928 56.309 58.100 0.229 0.000 1.046 404 Y CB 1.105 39.692 38.460 0.211 0.000 1.299 404 Y HN 0.436 nan 8.280 nan 0.000 0.464 405 N N 1.892 120.593 118.700 0.003 0.000 2.437 405 N HA 0.102 4.713 4.740 -0.216 0.000 0.243 405 N C 0.266 175.721 175.510 -0.092 0.000 1.041 405 N CA -0.162 52.559 53.050 -0.549 0.000 0.940 405 N CB 1.129 39.081 38.487 -0.891 0.000 1.133 405 N HN 0.905 nan 8.380 nan 0.000 0.506 406 E N 3.000 123.126 120.200 -0.123 0.000 2.502 406 E HA 0.029 4.249 4.350 -0.216 0.000 0.194 406 E C 0.272 176.884 176.600 0.020 0.000 1.062 406 E CA 0.844 57.308 56.400 0.107 0.000 0.867 406 E CB -0.072 29.682 29.700 0.089 0.000 0.888 406 E HN 0.382 nan 8.360 nan 0.000 0.510 407 N N 0.109 118.757 118.700 -0.088 0.000 2.309 407 N HA -0.075 4.535 4.740 -0.216 0.000 0.182 407 N C 1.274 176.711 175.510 -0.121 0.000 1.018 407 N CA 1.251 54.246 53.050 -0.091 0.000 0.876 407 N CB 0.211 38.632 38.487 -0.110 0.000 0.972 407 N HN 0.187 nan 8.380 nan 0.000 0.434 408 V N -0.578 119.225 119.914 -0.185 0.000 2.581 408 V HA 0.132 4.122 4.120 -0.216 0.000 0.240 408 V C 0.102 175.936 176.094 -0.433 0.000 1.054 408 V CA 0.769 62.840 62.300 -0.382 0.000 1.076 408 V CB -0.044 31.411 31.823 -0.615 0.000 0.748 408 V HN -0.052 nan 8.190 nan 0.000 0.474 409 F N 0.424 120.448 119.950 0.124 0.000 2.469 409 F HA 0.494 4.891 4.527 -0.216 0.000 0.332 409 F C 0.087 175.988 175.800 0.169 0.000 1.103 409 F CA -1.567 56.517 58.000 0.139 0.000 0.979 409 F CB 0.616 39.722 39.000 0.176 0.000 1.137 409 F HN -0.034 nan 8.300 nan 0.000 0.463 410 D N 1.970 122.554 120.400 0.307 0.000 2.389 410 D HA -0.021 4.490 4.640 -0.216 0.000 0.247 410 D C 1.255 177.660 176.300 0.174 0.000 1.128 410 D CA 0.180 54.311 54.000 0.219 0.000 0.884 410 D CB 1.046 41.942 40.800 0.161 0.000 1.194 410 D HN 0.779 nan 8.370 nan 0.000 0.441 411 E N 2.349 122.653 120.200 0.173 0.000 2.130 411 E HA -0.276 3.945 4.350 -0.216 0.000 0.196 411 E C 1.629 178.227 176.600 -0.004 0.000 0.998 411 E CA 1.328 57.785 56.400 0.096 0.000 0.806 411 E CB 0.111 29.904 29.700 0.155 0.000 0.738 411 E HN 0.519 nan 8.360 nan 0.000 0.459 412 A N 0.660 123.507 122.820 0.044 0.000 1.917 412 A HA -0.212 3.978 4.320 -0.216 0.000 0.219 412 A C 2.005 179.605 177.584 0.026 0.000 1.182 412 A CA 1.595 53.648 52.037 0.028 0.000 0.633 412 A CB -0.937 18.102 19.000 0.065 0.000 0.819 412 A HN 0.568 nan 8.150 nan 0.000 0.448 413 F N 0.429 120.322 119.950 -0.096 0.000 2.128 413 F HA -0.092 4.305 4.527 -0.216 0.000 0.295 413 F C 1.732 177.350 175.800 -0.303 0.000 1.100 413 F CA 1.184 59.086 58.000 -0.162 0.000 1.260 413 F CB -0.294 38.617 39.000 -0.149 0.000 1.009 413 F HN 0.137 nan 8.300 nan 0.000 0.476 414 I N 0.698 120.892 120.570 -0.627 0.000 2.361 414 I HA -0.268 3.773 4.170 -0.216 0.000 0.251 414 I C 2.420 178.211 176.117 -0.544 0.000 1.133 414 I CA 1.095 61.922 61.300 -0.788 0.000 1.413 414 I CB -1.369 36.102 38.000 -0.883 0.000 1.073 414 I HN 0.216 nan 8.210 nan 0.000 0.424 415 L N -0.282 120.727 121.223 -0.357 0.000 2.017 415 L HA -0.206 4.005 4.340 -0.216 0.000 0.208 415 L C 2.755 179.439 176.870 -0.310 0.000 1.073 415 L CA 1.379 56.051 54.840 -0.281 0.000 0.745 415 L CB -0.520 41.437 42.059 -0.169 0.000 0.894 415 L HN 0.159 nan 8.230 nan 0.000 0.432 416 R N -0.517 119.818 120.500 -0.274 0.000 2.091 416 R HA -0.194 4.016 4.340 -0.216 0.000 0.238 416 R C 2.215 178.337 176.300 -0.297 0.000 1.136 416 R CA 1.190 57.165 56.100 -0.209 0.000 0.959 416 R CB -0.605 29.664 30.300 -0.051 0.000 0.856 416 R HN 0.194 nan 8.270 nan 0.000 0.437 417 L N 1.826 122.727 121.223 -0.536 0.000 2.042 417 L HA -0.221 3.990 4.340 -0.216 0.000 0.210 417 L C 2.501 179.150 176.870 -0.368 0.000 1.076 417 L CA 1.803 56.323 54.840 -0.533 0.000 0.749 417 L CB -0.536 41.000 42.059 -0.872 0.000 0.893 417 L HN 0.107 nan 8.230 nan 0.000 0.432 418 K N -0.641 119.457 120.400 -0.502 0.000 2.001 418 K HA -0.241 3.950 4.320 -0.216 0.000 0.214 418 K C 2.137 178.418 176.600 -0.532 0.000 1.050 418 K CA 2.315 58.121 56.287 -0.801 0.000 0.934 418 K CB -0.468 31.423 32.500 -1.015 0.000 0.718 418 K HN 0.453 nan 8.250 nan 0.000 0.443 419 S N 0.068 115.551 115.700 -0.362 0.000 2.419 419 S HA -0.182 4.158 4.470 -0.216 0.000 0.233 419 S C 1.959 176.481 174.600 -0.130 0.000 1.016 419 S CA 1.239 59.310 58.200 -0.215 0.000 0.974 419 S CB -0.262 62.838 63.200 -0.167 0.000 0.786 419 S HN 0.500 nan 8.310 nan 0.000 0.492 420 Q N 0.350 120.079 119.800 -0.118 0.000 2.137 420 Q HA 0.245 4.455 4.340 -0.216 0.000 0.198 420 Q C 2.238 178.227 176.000 -0.018 0.000 0.960 420 Q CA 0.846 56.621 55.803 -0.047 0.000 0.847 420 Q CB -0.246 28.486 28.738 -0.011 0.000 0.915 420 Q HN 0.487 nan 8.270 nan 0.000 0.448 421 L N 0.554 121.767 121.223 -0.018 0.000 2.017 421 L HA -0.187 4.023 4.340 -0.216 0.000 0.208 421 L C 2.089 178.995 176.870 0.060 0.000 1.073 421 L CA 1.249 56.141 54.840 0.085 0.000 0.745 421 L CB -0.203 41.978 42.059 0.204 0.000 0.894 421 L HN 0.341 nan 8.230 nan 0.000 0.432 422 L N -0.761 120.466 121.223 0.007 0.000 2.042 422 L HA -0.248 3.963 4.340 -0.216 0.000 0.210 422 L C 2.500 179.368 176.870 -0.003 0.000 1.076 422 L CA 1.835 56.684 54.840 0.014 0.000 0.749 422 L CB -0.889 41.160 42.059 -0.017 0.000 0.893 422 L HN 0.318 nan 8.230 nan 0.000 0.432 423 T N -0.138 114.406 114.554 -0.017 0.000 2.746 423 T HA -0.157 4.064 4.350 -0.216 0.000 0.267 423 T C 2.046 176.741 174.700 -0.008 0.000 1.039 423 T CA 1.206 63.299 62.100 -0.013 0.000 1.142 423 T CB -0.277 68.583 68.868 -0.014 0.000 0.866 423 T HN 0.450 nan 8.240 nan 0.000 0.444 424 A N 2.026 124.847 122.820 0.003 0.000 1.873 424 A HA -0.128 4.062 4.320 -0.216 0.000 0.218 424 A C 2.250 179.823 177.584 -0.018 0.000 1.193 424 A CA 1.439 53.480 52.037 0.007 0.000 0.629 424 A CB -0.818 18.210 19.000 0.047 0.000 0.826 424 A HN 0.401 nan 8.150 nan 0.000 0.447 425 I N -0.143 120.427 120.570 -0.002 0.000 2.208 425 I HA -0.282 3.759 4.170 -0.216 0.000 0.245 425 I C 2.643 178.748 176.117 -0.021 0.000 1.097 425 I CA 1.732 63.021 61.300 -0.017 0.000 1.363 425 I CB -1.698 36.264 38.000 -0.063 0.000 1.051 425 I HN 0.511 nan 8.210 nan 0.000 0.413 426 Q N 0.099 119.888 119.800 -0.018 0.000 1.975 426 Q HA -0.230 3.981 4.340 -0.216 0.000 0.205 426 Q C 2.287 178.263 176.000 -0.041 0.000 0.990 426 Q CA 1.448 57.242 55.803 -0.016 0.000 0.845 426 Q CB -0.189 28.543 28.738 -0.010 0.000 0.913 426 Q HN 0.478 nan 8.270 nan 0.000 0.420 427 Q N 0.386 120.157 119.800 -0.048 0.000 2.079 427 Q HA -0.074 4.136 4.340 -0.216 0.000 0.200 427 Q C 2.247 178.184 176.000 -0.106 0.000 0.974 427 Q CA 1.046 56.816 55.803 -0.054 0.000 0.840 427 Q CB -0.269 28.449 28.738 -0.032 0.000 0.898 427 Q HN 0.403 nan 8.270 nan 0.000 0.430 428 L N 0.423 121.536 121.223 -0.183 0.000 2.046 428 L HA -0.197 4.013 4.340 -0.216 0.000 0.208 428 L C 2.309 178.895 176.870 -0.473 0.000 1.077 428 L CA 1.170 55.778 54.840 -0.387 0.000 0.747 428 L CB -0.421 41.248 42.059 -0.649 0.000 0.896 428 L HN 0.273 nan 8.230 nan 0.000 0.432 429 I N -3.577 116.787 120.570 -0.344 0.000 2.852 429 I HA -0.111 3.929 4.170 -0.216 0.000 0.264 429 I C 2.248 178.317 176.117 -0.079 0.000 1.179 429 I CA 0.995 62.168 61.300 -0.212 0.000 1.480 429 I CB -0.361 37.605 38.000 -0.056 0.000 1.111 429 I HN 0.030 nan 8.210 nan 0.000 0.441 430 Q N 1.513 121.274 119.800 -0.065 0.000 2.224 430 Q HA 0.071 4.282 4.340 -0.216 0.000 0.203 430 Q C 0.275 176.261 176.000 -0.024 0.000 0.970 430 Q CA 1.203 56.989 55.803 -0.029 0.000 0.865 430 Q CB 0.077 28.802 28.738 -0.022 0.000 0.922 430 Q HN 0.604 nan 8.270 nan 0.000 0.445 431 N N -0.092 118.584 118.700 -0.040 0.000 2.679 431 N HA 0.150 4.761 4.740 -0.216 0.000 0.302 431 N C -2.414 173.101 175.510 0.008 0.000 1.941 431 N CA -0.726 52.317 53.050 -0.013 0.000 0.875 431 N CB 1.290 39.770 38.487 -0.011 0.000 1.278 431 N HN 0.191 nan 8.380 nan 0.000 0.490 432 P HA 0.075 nan 4.420 nan 0.000 0.242 432 P C -0.001 177.387 177.300 0.148 0.000 1.197 432 P CA 0.857 64.035 63.100 0.130 0.000 0.765 432 P CB 0.547 32.340 31.700 0.154 0.000 0.936 433 D N -1.570 118.881 120.400 0.086 0.000 2.469 433 D HA 0.065 4.576 4.640 -0.216 0.000 0.213 433 D C 0.620 176.955 176.300 0.058 0.000 1.135 433 D CA 0.255 54.297 54.000 0.070 0.000 0.834 433 D CB 0.231 41.060 40.800 0.048 0.000 1.009 433 D HN 0.111 nan 8.370 nan 0.000 0.507 434 Q N 1.067 120.901 119.800 0.056 0.000 2.299 434 Q HA 0.294 4.505 4.340 -0.216 0.000 0.246 434 Q C -2.336 173.699 176.000 0.059 0.000 0.935 434 Q CA -2.028 53.802 55.803 0.045 0.000 0.887 434 Q CB 0.266 29.023 28.738 0.032 0.000 1.223 434 Q HN -0.028 nan 8.270 nan 0.000 0.439 435 P HA -0.088 nan 4.420 nan 0.000 0.260 435 P C 0.882 178.218 177.300 0.060 0.000 1.172 435 P CA 0.266 63.396 63.100 0.050 0.000 0.760 435 P CB 0.478 32.199 31.700 0.034 0.000 0.773 436 V N 3.515 123.479 119.914 0.083 0.000 2.324 436 V HA -0.298 3.693 4.120 -0.216 0.000 0.250 436 V C 2.282 178.415 176.094 0.065 0.000 1.060 436 V CA 2.813 65.171 62.300 0.097 0.000 1.042 436 V CB -1.281 30.622 31.823 0.132 0.000 0.650 436 V HN 0.703 nan 8.190 nan 0.000 0.450 437 S N -1.365 114.366 115.700 0.052 0.000 2.440 437 S HA -0.244 4.097 4.470 -0.216 0.000 0.240 437 S C 1.762 176.380 174.600 0.030 0.000 1.014 437 S CA 1.983 60.205 58.200 0.037 0.000 0.980 437 S CB -0.658 62.559 63.200 0.028 0.000 0.775 437 S HN 0.599 nan 8.310 nan 0.000 0.499 438 T N 1.457 116.029 114.554 0.030 0.000 3.043 438 T HA 0.312 4.532 4.350 -0.216 0.000 0.263 438 T C 0.479 175.193 174.700 0.024 0.000 1.094 438 T CA -0.085 62.029 62.100 0.023 0.000 1.127 438 T CB -0.335 68.544 68.868 0.018 0.000 0.905 438 T HN 0.243 nan 8.240 nan 0.000 0.490 439 I N 2.984 123.571 120.570 0.028 0.000 2.752 439 I HA 0.045 4.085 4.170 -0.216 0.000 0.287 439 I C 0.708 176.839 176.117 0.022 0.000 1.188 439 I CA -0.775 60.536 61.300 0.020 0.000 1.427 439 I CB 0.083 38.093 38.000 0.016 0.000 1.365 439 I HN 0.126 nan 8.210 nan 0.000 0.585 440 N N 4.950 123.663 118.700 0.020 0.000 2.499 440 N HA 0.152 4.762 4.740 -0.216 0.000 0.281 440 N C -0.123 175.397 175.510 0.017 0.000 1.098 440 N CA -0.370 52.697 53.050 0.028 0.000 0.979 440 N CB 1.134 39.643 38.487 0.038 0.000 1.121 440 N HN 0.362 nan 8.380 nan 0.000 0.466 441 L N 3.277 124.510 121.223 0.017 0.000 2.966 441 L HA 0.201 4.412 4.340 -0.216 0.000 0.262 441 L C -0.201 176.673 176.870 0.007 0.000 1.165 441 L CA 0.071 54.916 54.840 0.009 0.000 0.978 441 L CB 0.097 42.160 42.059 0.007 0.000 1.337 441 L HN 0.402 nan 8.230 nan 0.000 0.563 442 V N -1.726 118.197 119.914 0.014 0.000 2.439 442 V HA 0.567 4.558 4.120 -0.216 0.000 0.282 442 V C 0.051 176.149 176.094 0.007 0.000 1.039 442 V CA -1.194 61.114 62.300 0.014 0.000 0.913 442 V CB 1.054 32.893 31.823 0.027 0.000 0.983 442 V HN 0.305 nan 8.190 nan 0.000 0.460 443 D N 2.484 122.879 120.400 -0.007 0.000 2.384 443 D HA 0.064 4.574 4.640 -0.216 0.000 0.244 443 D C 0.627 176.925 176.300 -0.003 0.000 1.251 443 D CA -0.233 53.759 54.000 -0.013 0.000 0.961 443 D CB 0.511 41.291 40.800 -0.033 0.000 1.116 443 D HN 0.508 nan 8.370 nan 0.000 0.484 444 D N -0.346 120.051 120.400 -0.005 0.000 2.117 444 D HA -0.141 4.370 4.640 -0.216 0.000 0.197 444 D C 1.947 178.246 176.300 -0.001 0.000 0.987 444 D CA 0.953 54.955 54.000 0.003 0.000 0.829 444 D CB -0.151 40.650 40.800 0.001 0.000 0.961 444 D HN 0.424 nan 8.370 nan 0.000 0.460 445 R N 0.603 121.093 120.500 -0.017 0.000 2.083 445 R HA -0.158 4.053 4.340 -0.216 0.000 0.237 445 R C 2.223 178.519 176.300 -0.006 0.000 1.137 445 R CA 1.600 57.684 56.100 -0.028 0.000 0.951 445 R CB -0.046 30.217 30.300 -0.062 0.000 0.851 445 R HN 0.207 nan 8.270 nan 0.000 0.434 446 E N 0.006 120.203 120.200 -0.005 0.000 2.107 446 E HA -0.223 3.998 4.350 -0.216 0.000 0.191 446 E C 2.069 178.705 176.600 0.059 0.000 0.982 446 E CA 0.991 57.416 56.400 0.042 0.000 0.809 446 E CB 0.016 29.731 29.700 0.026 0.000 0.756 446 E HN 0.188 nan 8.360 nan 0.000 0.459 447 R N 0.810 121.325 120.500 0.026 0.000 2.073 447 R HA -0.229 3.981 4.340 -0.216 0.000 0.234 447 R C 2.371 178.665 176.300 -0.010 0.000 1.134 447 R CA 1.994 58.098 56.100 0.008 0.000 0.952 447 R CB -0.277 30.038 30.300 0.024 0.000 0.850 447 R HN 0.243 nan 8.270 nan 0.000 0.433 448 E N -0.211 119.995 120.200 0.010 0.000 2.038 448 E HA -0.263 3.958 4.350 -0.216 0.000 0.195 448 E C 1.799 178.388 176.600 -0.019 0.000 1.000 448 E CA 1.664 58.066 56.400 0.003 0.000 0.803 448 E CB -0.487 29.222 29.700 0.015 0.000 0.750 448 E HN 0.405 nan 8.360 nan 0.000 0.448 449 F N 1.182 121.040 119.950 -0.154 0.000 2.091 449 F HA -0.188 4.210 4.527 -0.215 0.000 0.299 449 F C 1.828 177.452 175.800 -0.293 0.000 1.103 449 F CA 1.722 59.583 58.000 -0.231 0.000 1.228 449 F CB -0.329 38.502 39.000 -0.283 0.000 0.984 449 F HN 0.074 nan 8.300 nan 0.000 0.477 450 L N -0.608 120.361 121.223 -0.424 0.000 2.072 450 L HA -0.191 4.019 4.340 -0.216 0.000 0.205 450 L C 2.441 179.059 176.870 -0.420 0.000 1.079 450 L CA 1.066 55.579 54.840 -0.546 0.000 0.752 450 L CB -0.575 41.356 42.059 -0.214 0.000 0.906 450 L HN 0.219 nan 8.230 nan 0.000 0.436 451 L N -1.594 119.486 121.223 -0.240 0.000 2.102 451 L HA -0.056 4.154 4.340 -0.216 0.000 0.202 451 L C 2.387 179.180 176.870 -0.128 0.000 1.076 451 L CA 1.136 55.905 54.840 -0.118 0.000 0.761 451 L CB -0.529 41.514 42.059 -0.026 0.000 0.921 451 L HN 0.185 nan 8.230 nan 0.000 0.444 452 T N -0.907 113.564 114.554 -0.138 0.000 2.925 452 T HA 0.030 4.251 4.350 -0.216 0.000 0.245 452 T C 1.795 176.385 174.700 -0.184 0.000 1.025 452 T CA 0.848 62.883 62.100 -0.109 0.000 1.149 452 T CB -0.348 68.489 68.868 -0.053 0.000 0.866 452 T HN 0.404 nan 8.240 nan 0.000 0.437 453 G N 1.394 110.035 108.800 -0.265 0.000 2.422 453 G HA2 -0.088 3.743 3.960 -0.216 0.000 0.218 453 G HA3 -0.088 3.743 3.960 -0.216 0.000 0.218 453 G C 1.204 175.831 174.900 -0.455 0.000 1.146 453 G CA 0.530 45.455 45.100 -0.290 0.000 0.769 453 G HN 0.309 nan 8.290 nan 0.000 0.547 454 L N 0.154 120.952 121.223 -0.709 0.000 2.567 454 L HA 0.332 4.542 4.340 -0.216 0.000 0.225 454 L C 0.644 177.257 176.870 -0.429 0.000 1.119 454 L CA -0.106 54.253 54.840 -0.801 0.000 0.871 454 L CB -0.498 40.656 42.059 -1.509 0.000 1.036 454 L HN 0.064 nan 8.230 nan 0.000 0.459 455 N N -0.741 117.798 118.700 -0.268 0.000 2.483 455 N HA 0.405 5.016 4.740 -0.216 0.000 0.285 455 N C -2.326 173.151 175.510 -0.055 0.000 1.210 455 N CA -1.450 51.532 53.050 -0.112 0.000 0.931 455 N CB 1.107 39.523 38.487 -0.120 0.000 1.220 455 N HN -0.169 nan 8.380 nan 0.000 0.542 456 P HA 0.269 nan 4.420 nan 0.000 0.271 456 P C -2.364 174.946 177.300 0.016 0.000 1.244 456 P CA -0.622 62.495 63.100 0.027 0.000 0.793 456 P CB -0.493 31.248 31.700 0.067 0.000 0.984 457 P HA 0.150 nan 4.420 nan 0.000 0.270 457 P C -0.679 176.632 177.300 0.019 0.000 1.223 457 P CA -0.113 62.997 63.100 0.018 0.000 0.785 457 P CB 0.149 31.864 31.700 0.025 0.000 0.923 458 A N 2.199 125.022 122.820 0.004 0.000 2.511 458 A HA 0.130 4.321 4.320 -0.216 0.000 0.242 458 A C 0.021 177.576 177.584 -0.047 0.000 1.069 458 A CA 0.209 52.240 52.037 -0.010 0.000 0.763 458 A CB -0.430 18.562 19.000 -0.013 0.000 1.001 458 A HN 0.545 nan 8.150 nan 0.000 0.498 459 Q N 0.975 120.722 119.800 -0.088 0.000 2.342 459 Q HA 0.555 4.766 4.340 -0.216 0.000 0.267 459 Q C 0.891 176.686 176.000 -0.342 0.000 1.038 459 Q CA -0.205 55.436 55.803 -0.270 0.000 0.832 459 Q CB 2.069 30.661 28.738 -0.243 0.000 1.323 459 Q HN 0.864 nan 8.270 nan 0.000 0.448 460 A N 2.316 124.854 122.820 -0.471 0.000 1.819 460 A HA -0.079 4.111 4.320 -0.216 0.000 0.215 460 A C 0.187 177.555 177.584 -0.361 0.000 1.226 460 A CA 0.623 52.464 52.037 -0.326 0.000 0.608 460 A CB -1.082 17.781 19.000 -0.227 0.000 0.877 460 A HN 0.899 nan 8.150 nan 0.000 0.452 461 H N 0.487 119.472 119.070 -0.141 0.000 3.157 461 H HA -0.035 4.392 4.556 -0.215 0.000 0.279 461 H C -0.564 174.680 175.328 -0.140 0.000 0.880 461 H CA 1.279 57.186 56.048 -0.235 0.000 1.394 461 H CB -0.236 29.067 29.762 -0.765 0.000 1.247 461 H HN 0.606 nan 8.280 nan 0.000 0.553 462 E N 2.165 122.412 120.200 0.079 0.000 2.404 462 E HA 0.195 4.415 4.350 -0.216 0.000 0.298 462 E C -1.137 175.523 176.600 0.099 0.000 0.908 462 E CA -0.527 55.925 56.400 0.088 0.000 0.808 462 E CB 1.573 31.290 29.700 0.028 0.000 1.380 462 E HN 0.778 nan 8.360 nan 0.000 0.392 463 T N 0.746 115.411 114.554 0.185 0.000 0.575 463 T HA 0.133 4.353 4.350 -0.216 0.000 0.770 463 T C -1.186 173.493 174.700 -0.035 0.000 0.992 463 T CA 0.708 62.877 62.100 0.116 0.000 4.059 463 T CB -0.287 68.605 68.868 0.041 0.000 2.293 463 T HN 0.744 nan 8.240 nan 0.000 0.396 464 K N 2.661 123.035 120.400 -0.044 0.000 2.622 464 K HA 0.711 4.901 4.320 -0.216 0.000 0.263 464 K C -3.453 173.052 176.600 -0.159 0.000 0.947 464 K CA -1.040 55.036 56.287 -0.351 0.000 0.885 464 K CB 0.629 32.535 32.500 -0.990 0.000 1.362 464 K HN 0.455 nan 8.250 nan 0.000 0.413 465 P HA 0.198 nan 4.420 nan 0.000 0.270 465 P C 0.836 178.309 177.300 0.287 0.000 1.221 465 P CA -0.473 62.661 63.100 0.057 0.000 0.788 465 P CB 0.476 32.150 31.700 -0.045 0.000 0.904 466 L N 0.331 121.902 121.223 0.580 0.000 2.046 466 L HA -0.197 4.013 4.340 -0.216 0.000 0.208 466 L C 2.511 179.671 176.870 0.483 0.000 1.077 466 L CA 2.355 57.545 54.840 0.584 0.000 0.747 466 L CB -1.580 40.775 42.059 0.493 0.000 0.896 466 L HN 0.516 nan 8.230 nan 0.000 0.432 467 T N -2.589 112.196 114.554 0.384 0.000 2.721 467 T HA -0.362 3.858 4.350 -0.216 0.000 0.268 467 T C 1.732 176.610 174.700 0.296 0.000 1.038 467 T CA 1.929 64.217 62.100 0.314 0.000 1.145 467 T CB -0.862 68.139 68.868 0.221 0.000 0.858 467 T HN 0.436 nan 8.240 nan 0.000 0.459 468 Y N 0.573 120.909 120.300 0.060 0.000 2.163 468 Y HA -0.002 4.419 4.550 -0.215 0.000 0.288 468 Y C 2.204 178.078 175.900 -0.043 0.000 1.136 468 Y CA 0.724 58.769 58.100 -0.093 0.000 1.147 468 Y CB -0.592 37.670 38.460 -0.331 0.000 0.987 468 Y HN 0.238 nan 8.280 nan 0.000 0.509 469 W N -0.829 120.606 121.300 0.226 0.000 2.363 469 W HA -0.223 4.306 4.660 -0.219 0.000 0.296 469 W C 2.261 178.794 176.519 0.023 0.000 1.212 469 W CA 0.959 58.353 57.345 0.082 0.000 1.260 469 W CB -0.658 28.919 29.460 0.195 0.000 1.131 469 W HN 0.179 nan 8.180 nan 0.000 0.530 470 F N 2.005 122.083 119.950 0.213 0.000 2.113 470 F HA -0.143 4.245 4.527 -0.233 0.000 0.297 470 F C 2.528 178.340 175.800 0.021 0.000 1.103 470 F CA 2.780 60.852 58.000 0.121 0.000 1.248 470 F CB -0.952 38.143 39.000 0.158 0.000 0.999 470 F HN -0.179 nan 8.300 nan 0.000 0.475 471 K N 0.564 120.973 120.400 0.016 0.000 2.113 471 K HA -0.262 3.928 4.320 -0.216 0.000 0.208 471 K C 2.003 178.443 176.600 -0.266 0.000 1.047 471 K CA 1.952 58.153 56.287 -0.142 0.000 0.928 471 K CB -1.415 31.030 32.500 -0.091 0.000 0.716 471 K HN 0.653 nan 8.250 nan 0.000 0.446 472 E N -0.415 119.600 120.200 -0.308 0.000 2.058 472 E HA -0.131 4.089 4.350 -0.216 0.000 0.194 472 E C 2.340 178.787 176.600 -0.255 0.000 0.997 472 E CA 1.118 57.357 56.400 -0.270 0.000 0.801 472 E CB -0.237 29.350 29.700 -0.188 0.000 0.746 472 E HN 0.557 nan 8.360 nan 0.000 0.450 473 A N 0.336 122.977 122.820 -0.299 0.000 1.930 473 A HA -0.107 4.084 4.320 -0.216 0.000 0.217 473 A C 2.373 179.555 177.584 -0.670 0.000 1.175 473 A CA 1.255 53.011 52.037 -0.469 0.000 0.627 473 A CB -0.485 18.236 19.000 -0.466 0.000 0.815 473 A HN 0.231 nan 8.150 nan 0.000 0.443 474 V N 0.856 120.411 119.914 -0.598 0.000 2.307 474 V HA -0.277 3.714 4.120 -0.216 0.000 0.245 474 V C 2.129 178.056 176.094 -0.279 0.000 1.045 474 V CA 2.200 64.236 62.300 -0.440 0.000 1.024 474 V CB -1.018 30.579 31.823 -0.376 0.000 0.651 474 V HN 0.640 nan 8.190 nan 0.000 0.449 475 N N 0.138 118.695 118.700 -0.237 0.000 2.289 475 N HA -0.154 4.457 4.740 -0.216 0.000 0.184 475 N C 1.947 177.363 175.510 -0.156 0.000 1.016 475 N CA 0.995 53.949 53.050 -0.160 0.000 0.872 475 N CB -0.201 38.203 38.487 -0.139 0.000 0.973 475 N HN 0.500 nan 8.380 nan 0.000 0.433 476 A N 1.428 124.123 122.820 -0.207 0.000 1.869 476 A HA -0.169 4.021 4.320 -0.216 0.000 0.218 476 A C 0.483 177.978 177.584 -0.149 0.000 1.203 476 A CA 1.669 53.596 52.037 -0.183 0.000 0.638 476 A CB -0.234 18.620 19.000 -0.244 0.000 0.831 476 A HN 0.431 nan 8.150 nan 0.000 0.450 477 N N -2.324 116.270 118.700 -0.177 0.000 2.976 477 N HA 0.278 4.888 4.740 -0.216 0.000 0.220 477 N C -2.745 172.722 175.510 -0.072 0.000 1.428 477 N CA -0.791 52.196 53.050 -0.104 0.000 0.748 477 N CB 1.597 40.035 38.487 -0.083 0.000 1.484 477 N HN -0.049 nan 8.380 nan 0.000 0.578 478 P HA -0.214 nan 4.420 nan 0.000 0.218 478 P C 0.384 177.718 177.300 0.058 0.000 1.147 478 P CA 1.300 64.406 63.100 0.009 0.000 0.827 478 P CB 0.270 31.971 31.700 0.001 0.000 0.778 479 D N -1.420 119.004 120.400 0.040 0.000 2.348 479 D HA 0.083 4.594 4.640 -0.216 0.000 0.211 479 D C 0.823 177.166 176.300 0.072 0.000 0.998 479 D CA 0.183 54.213 54.000 0.049 0.000 0.873 479 D CB -0.009 40.808 40.800 0.029 0.000 0.925 479 D HN 0.093 nan 8.370 nan 0.000 0.524 480 A N 2.243 125.122 122.820 0.099 0.000 2.477 480 A HA 0.265 4.456 4.320 -0.216 0.000 0.246 480 A C -2.269 175.424 177.584 0.181 0.000 1.078 480 A CA -0.854 51.264 52.037 0.135 0.000 0.770 480 A CB -0.005 19.076 19.000 0.135 0.000 1.011 480 A HN -0.110 nan 8.150 nan 0.000 0.494 481 P HA 0.133 nan 4.420 nan 0.000 0.262 481 P C 0.430 177.714 177.300 -0.027 0.000 1.182 481 P CA 0.951 64.073 63.100 0.037 0.000 0.761 481 P CB 1.065 32.788 31.700 0.037 0.000 0.795 482 A N 4.769 127.429 122.820 -0.267 0.000 1.969 482 A HA 0.235 4.425 4.320 -0.216 0.000 0.205 482 A C 0.380 177.751 177.584 -0.356 0.000 1.364 482 A CA 0.742 52.341 52.037 -0.729 0.000 0.756 482 A CB -0.003 18.228 19.000 -1.281 0.000 0.988 482 A HN 0.504 nan 8.150 nan 0.000 0.490 483 L N 0.608 121.712 121.223 -0.200 0.000 2.408 483 L HA 0.595 4.805 4.340 -0.216 0.000 0.268 483 L C -1.681 175.184 176.870 -0.009 0.000 0.986 483 L CA -0.232 54.557 54.840 -0.085 0.000 0.820 483 L CB 2.412 44.432 42.059 -0.066 0.000 1.303 483 L HN 0.207 nan 8.230 nan 0.000 0.411 484 T N 2.823 117.402 114.554 0.043 0.000 2.916 484 T HA 0.478 4.698 4.350 -0.216 0.000 0.298 484 T C -1.880 172.913 174.700 0.156 0.000 1.031 484 T CA -0.384 61.761 62.100 0.076 0.000 0.993 484 T CB 1.708 70.604 68.868 0.047 0.000 1.045 484 T HN 0.459 nan 8.240 nan 0.000 0.454 485 Y N 1.444 121.746 120.300 0.004 0.000 2.362 485 Y HA 0.396 4.818 4.550 -0.213 0.000 0.326 485 Y C 0.078 175.978 175.900 -0.000 0.000 1.083 485 Y CA -0.671 57.430 58.100 0.002 0.000 1.073 485 Y CB 1.288 39.745 38.460 -0.005 0.000 1.211 485 Y HN 0.801 nan 8.280 nan 0.000 0.433 486 S N 4.109 119.498 115.700 -0.517 0.000 3.524 486 S HA -0.148 4.193 4.470 -0.216 0.000 0.377 486 S C 1.192 175.716 174.600 -0.127 0.000 0.949 486 S CA 1.590 59.568 58.200 -0.370 0.000 1.264 486 S CB -1.722 61.191 63.200 -0.478 0.000 0.918 486 S HN 2.117 nan 8.310 nan 0.000 0.517 487 G N -0.012 108.743 108.800 -0.075 0.000 4.655 487 G HA2 -0.381 3.449 3.960 -0.216 0.000 0.220 487 G HA3 -0.381 3.449 3.960 -0.216 0.000 0.220 487 G C -0.067 174.839 174.900 0.010 0.000 1.403 487 G CA 0.364 45.450 45.100 -0.023 0.000 0.931 487 G HN 0.752 nan 8.290 nan 0.000 0.654 488 Q N 2.783 122.603 119.800 0.033 0.000 2.478 488 Q HA 0.440 4.650 4.340 -0.216 0.000 0.323 488 Q C 0.380 176.418 176.000 0.064 0.000 1.087 488 Q CA 1.178 57.017 55.803 0.060 0.000 1.056 488 Q CB 0.205 29.000 28.738 0.095 0.000 1.018 488 Q HN 0.534 nan 8.270 nan 0.000 0.387 489 T N 3.093 117.673 114.554 0.044 0.000 2.912 489 T HA 0.744 4.964 4.350 -0.216 0.000 0.288 489 T C -0.308 174.407 174.700 0.025 0.000 1.030 489 T CA -0.711 61.408 62.100 0.033 0.000 1.020 489 T CB 0.909 69.791 68.868 0.023 0.000 1.056 489 T HN 0.359 nan 8.240 nan 0.000 0.480 490 L N 1.837 123.062 121.223 0.003 0.000 2.370 490 L HA 0.565 4.776 4.340 -0.216 0.000 0.266 490 L C 0.435 177.281 176.870 -0.039 0.000 1.002 490 L CA -1.005 53.832 54.840 -0.006 0.000 0.818 490 L CB 2.348 44.402 42.059 -0.008 0.000 1.325 490 L HN 0.750 nan 8.230 nan 0.000 0.418 491 S N -0.090 115.604 115.700 -0.009 0.000 2.632 491 S HA 0.254 4.595 4.470 -0.216 0.000 0.267 491 S C 0.850 175.437 174.600 -0.021 0.000 1.276 491 S CA -0.507 57.695 58.200 0.004 0.000 0.998 491 S CB 0.706 63.936 63.200 0.050 0.000 0.953 491 S HN 0.478 nan 8.310 nan 0.000 0.547 492 Y N 0.643 120.933 120.300 -0.017 0.000 2.193 492 Y HA -0.176 4.244 4.550 -0.215 0.000 0.285 492 Y C 2.883 178.768 175.900 -0.026 0.000 1.166 492 Y CA 2.068 60.137 58.100 -0.053 0.000 1.181 492 Y CB -0.301 38.071 38.460 -0.147 0.000 0.976 492 Y HN 0.704 nan 8.280 nan 0.000 0.520 493 R N 0.741 121.315 120.500 0.124 0.000 2.113 493 R HA -0.244 3.966 4.340 -0.216 0.000 0.231 493 R C 2.035 178.385 176.300 0.084 0.000 1.129 493 R CA 2.360 58.509 56.100 0.083 0.000 0.915 493 R CB -0.405 29.932 30.300 0.062 0.000 0.837 493 R HN 0.389 nan 8.270 nan 0.000 0.430 494 E N 0.261 120.502 120.200 0.069 0.000 2.070 494 E HA -0.242 3.978 4.350 -0.216 0.000 0.197 494 E C 2.012 178.652 176.600 0.067 0.000 1.004 494 E CA 1.461 57.901 56.400 0.066 0.000 0.805 494 E CB -0.254 29.479 29.700 0.056 0.000 0.744 494 E HN 0.240 nan 8.360 nan 0.000 0.451 495 L N 1.758 123.018 121.223 0.063 0.000 2.012 495 L HA -0.215 3.995 4.340 -0.216 0.000 0.210 495 L C 1.873 178.835 176.870 0.154 0.000 1.073 495 L CA 2.276 57.164 54.840 0.080 0.000 0.748 495 L CB -0.755 41.340 42.059 0.060 0.000 0.891 495 L HN 0.044 nan 8.230 nan 0.000 0.431 496 D N -0.909 119.632 120.400 0.236 0.000 2.116 496 D HA -0.240 4.271 4.640 -0.216 0.000 0.193 496 D C 1.979 178.375 176.300 0.160 0.000 0.998 496 D CA 1.854 56.038 54.000 0.306 0.000 0.836 496 D CB -0.011 40.941 40.800 0.254 0.000 0.951 496 D HN 0.582 nan 8.370 nan 0.000 0.449 497 E N -0.496 119.766 120.200 0.103 0.000 2.031 497 E HA -0.184 4.037 4.350 -0.216 0.000 0.193 497 E C 2.446 179.052 176.600 0.010 0.000 0.994 497 E CA 1.392 57.827 56.400 0.059 0.000 0.800 497 E CB -0.317 29.419 29.700 0.060 0.000 0.752 497 E HN 0.539 nan 8.360 nan 0.000 0.447 498 E N 0.969 121.165 120.200 -0.006 0.000 2.219 498 E HA -0.164 4.056 4.350 -0.216 0.000 0.198 498 E C 1.856 178.418 176.600 -0.064 0.000 0.998 498 E CA 1.469 57.827 56.400 -0.071 0.000 0.818 498 E CB -0.694 28.974 29.700 -0.053 0.000 0.741 498 E HN 0.347 nan 8.360 nan 0.000 0.477 499 A N 0.548 123.356 122.820 -0.020 0.000 2.021 499 A HA -0.031 4.159 4.320 -0.216 0.000 0.216 499 A C 2.063 179.638 177.584 -0.014 0.000 1.163 499 A CA 1.192 53.209 52.037 -0.033 0.000 0.676 499 A CB -0.015 18.959 19.000 -0.044 0.000 0.818 499 A HN 0.437 nan 8.150 nan 0.000 0.453 500 N N 0.379 119.088 118.700 0.015 0.000 2.135 500 N HA -0.099 4.512 4.740 -0.216 0.000 0.186 500 N C 1.780 177.290 175.510 0.000 0.000 1.027 500 N CA 1.170 54.234 53.050 0.023 0.000 0.849 500 N CB -0.470 38.043 38.487 0.043 0.000 1.002 500 N HN 0.470 nan 8.380 nan 0.000 0.425 501 R N 0.421 120.905 120.500 -0.027 0.000 2.136 501 R HA -0.144 4.066 4.340 -0.216 0.000 0.242 501 R C 1.922 178.197 176.300 -0.042 0.000 1.131 501 R CA 1.403 57.471 56.100 -0.054 0.000 0.937 501 R CB -0.526 29.693 30.300 -0.136 0.000 0.863 501 R HN 0.147 nan 8.270 nan 0.000 0.435 502 I N 0.472 121.010 120.570 -0.053 0.000 2.394 502 I HA -0.161 3.880 4.170 -0.216 0.000 0.251 502 I C 2.369 178.476 176.117 -0.017 0.000 1.136 502 I CA 1.177 62.451 61.300 -0.043 0.000 1.425 502 I CB -0.683 37.278 38.000 -0.066 0.000 1.079 502 I HN 0.188 nan 8.210 nan 0.000 0.425 503 A N -0.013 122.801 122.820 -0.009 0.000 2.019 503 A HA -0.178 4.012 4.320 -0.216 0.000 0.219 503 A C 2.461 180.061 177.584 0.026 0.000 1.164 503 A CA 1.458 53.502 52.037 0.012 0.000 0.644 503 A CB -0.451 18.561 19.000 0.020 0.000 0.805 503 A HN 0.339 nan 8.150 nan 0.000 0.449 504 R N -1.492 119.022 120.500 0.024 0.000 2.080 504 R HA 0.027 4.238 4.340 -0.216 0.000 0.222 504 R C 2.405 178.736 176.300 0.051 0.000 1.107 504 R CA 1.110 57.230 56.100 0.033 0.000 0.980 504 R CB -0.199 30.117 30.300 0.027 0.000 0.879 504 R HN 0.440 nan 8.270 nan 0.000 0.439 505 R N 1.249 121.783 120.500 0.056 0.000 2.081 505 R HA -0.073 4.138 4.340 -0.216 0.000 0.235 505 R C 1.904 178.296 176.300 0.155 0.000 1.131 505 R CA 1.415 57.582 56.100 0.112 0.000 0.960 505 R CB -0.637 29.711 30.300 0.079 0.000 0.856 505 R HN 0.155 nan 8.270 nan 0.000 0.436 506 L N 0.008 121.280 121.223 0.082 0.000 1.970 506 L HA -0.243 3.967 4.340 -0.216 0.000 0.212 506 L C 2.747 179.676 176.870 0.098 0.000 1.071 506 L CA 2.100 56.986 54.840 0.078 0.000 0.751 506 L CB -0.579 41.504 42.059 0.041 0.000 0.889 506 L HN 0.370 nan 8.230 nan 0.000 0.432 507 Q N 0.065 119.908 119.800 0.070 0.000 2.096 507 Q HA -0.252 3.958 4.340 -0.216 0.000 0.204 507 Q C 2.222 178.253 176.000 0.052 0.000 0.982 507 Q CA 1.705 57.541 55.803 0.056 0.000 0.850 507 Q CB 0.063 28.826 28.738 0.042 0.000 0.901 507 Q HN 0.252 nan 8.270 nan 0.000 0.422 508 K N -0.635 119.798 120.400 0.055 0.000 2.020 508 K HA -0.186 4.005 4.320 -0.216 0.000 0.212 508 K C 1.765 178.354 176.600 -0.017 0.000 1.050 508 K CA 1.483 57.776 56.287 0.010 0.000 0.929 508 K CB -0.191 32.310 32.500 0.002 0.000 0.714 508 K HN 0.438 nan 8.250 nan 0.000 0.443 509 H N -0.839 118.240 119.070 0.015 0.000 2.553 509 H HA 0.018 4.442 4.556 -0.219 0.000 0.269 509 H C 0.601 175.938 175.328 0.014 0.000 1.011 509 H CA 0.909 56.967 56.048 0.016 0.000 1.150 509 H CB 0.221 29.995 29.762 0.020 0.000 1.339 509 H HN 0.546 nan 8.280 nan 0.000 0.604 510 G N 0.444 109.299 108.800 0.092 0.000 2.248 510 G HA2 -0.250 3.581 3.960 -0.216 0.000 0.252 510 G HA3 -0.250 3.581 3.960 -0.216 0.000 0.252 510 G C 1.049 175.986 174.900 0.062 0.000 1.085 510 G CA 0.426 45.561 45.100 0.057 0.000 0.845 510 G HN 0.570 nan 8.290 nan 0.000 0.494 511 A N -0.124 122.738 122.820 0.070 0.000 1.832 511 A HA 0.616 4.806 4.320 -0.216 0.000 0.214 511 A C 2.829 180.442 177.584 0.049 0.000 1.242 511 A CA 2.343 54.416 52.037 0.060 0.000 0.603 511 A CB -0.922 18.114 19.000 0.061 0.000 0.902 511 A HN 2.622 nan 8.150 nan 0.000 0.455 512 G N -0.354 108.474 108.800 0.047 0.000 2.574 512 G HA2 -0.327 3.503 3.960 -0.216 0.000 0.295 512 G HA3 -0.327 3.503 3.960 -0.216 0.000 0.295 512 G C 0.244 175.168 174.900 0.041 0.000 1.300 512 G CA 0.525 45.648 45.100 0.039 0.000 0.944 512 G HN 0.793 nan 8.290 nan 0.000 0.551 513 K N 1.176 121.593 120.400 0.029 0.000 2.154 513 K HA 0.451 4.642 4.320 -0.216 0.000 0.264 513 K C 1.490 178.102 176.600 0.020 0.000 1.008 513 K CA 0.718 57.020 56.287 0.024 0.000 0.937 513 K CB 0.291 32.795 32.500 0.008 0.000 1.002 513 K HN 2.226 nan 8.250 nan 0.000 0.469 514 G N 1.232 110.043 108.800 0.018 0.000 2.212 514 G HA2 -0.294 3.537 3.960 -0.216 0.000 0.266 514 G HA3 -0.294 3.537 3.960 -0.216 0.000 0.266 514 G C -0.065 174.843 174.900 0.013 0.000 0.978 514 G CA 0.713 45.818 45.100 0.009 0.000 0.632 514 G HN 0.801 nan 8.290 nan 0.000 0.537 515 S N -1.097 114.618 115.700 0.025 0.000 2.681 515 S HA 0.817 5.157 4.470 -0.216 0.000 0.299 515 S C -0.257 174.365 174.600 0.037 0.000 1.113 515 S CA -0.416 57.801 58.200 0.029 0.000 1.013 515 S CB 2.923 66.145 63.200 0.036 0.000 1.076 515 S HN 0.926 nan 8.310 nan 0.000 0.534 516 V N 1.702 121.638 119.914 0.037 0.000 2.435 516 V HA 0.501 4.492 4.120 -0.216 0.000 0.290 516 V C -0.523 175.601 176.094 0.049 0.000 1.030 516 V CA -0.683 61.642 62.300 0.042 0.000 0.881 516 V CB 1.593 33.437 31.823 0.035 0.000 0.983 516 V HN 0.818 nan 8.190 nan 0.000 0.445 517 V N 3.880 123.828 119.914 0.058 0.000 2.398 517 V HA 0.650 4.641 4.120 -0.216 0.000 0.286 517 V C 0.461 176.569 176.094 0.023 0.000 1.026 517 V CA -0.631 61.695 62.300 0.043 0.000 0.868 517 V CB 1.705 33.558 31.823 0.050 0.000 0.982 517 V HN 0.976 nan 8.190 nan 0.000 0.443 518 A N 6.723 129.522 122.820 -0.035 0.000 2.310 518 A HA 0.651 4.842 4.320 -0.216 0.000 0.300 518 A C -0.260 177.277 177.584 -0.078 0.000 1.269 518 A CA -0.333 51.653 52.037 -0.086 0.000 0.909 518 A CB -0.104 18.770 19.000 -0.211 0.000 1.144 518 A HN 0.818 nan 8.150 nan 0.000 0.540 519 L N 2.160 123.363 121.223 -0.034 0.000 2.349 519 L HA 0.245 4.455 4.340 -0.216 0.000 0.275 519 L C -0.307 176.617 176.870 0.090 0.000 1.115 519 L CA -0.018 54.820 54.840 -0.003 0.000 0.820 519 L CB 0.659 42.731 42.059 0.022 0.000 1.135 519 L HN 0.835 nan 8.230 nan 0.000 0.445 520 Y N 2.636 122.873 120.300 -0.106 0.000 2.477 520 Y HA 0.202 4.621 4.550 -0.218 0.000 0.340 520 Y C -0.153 175.670 175.900 -0.128 0.000 0.987 520 Y CA -0.670 57.373 58.100 -0.094 0.000 1.127 520 Y CB 0.956 39.321 38.460 -0.160 0.000 1.139 520 Y HN 0.637 nan 8.280 nan 0.000 0.637 521 T N -0.680 113.706 114.554 -0.281 0.000 2.841 521 T HA 0.382 4.602 4.350 -0.216 0.000 0.283 521 T C -0.706 173.626 174.700 -0.613 0.000 1.000 521 T CA -1.035 60.717 62.100 -0.580 0.000 0.977 521 T CB 2.227 70.662 68.868 -0.722 0.000 0.979 521 T HN 0.474 nan 8.240 nan 0.000 0.446 522 K N 2.304 122.471 120.400 -0.387 0.000 2.168 522 K HA 0.269 4.459 4.320 -0.216 0.000 0.258 522 K C 0.023 176.399 176.600 -0.373 0.000 1.010 522 K CA -0.812 55.301 56.287 -0.291 0.000 0.929 522 K CB 0.634 33.080 32.500 -0.091 0.000 0.998 522 K HN 0.635 nan 8.250 nan 0.000 0.479 523 R N 1.788 122.070 120.500 -0.364 0.000 2.484 523 R HA 0.053 4.263 4.340 -0.216 0.000 0.293 523 R C -0.411 175.560 176.300 -0.548 0.000 1.023 523 R CA 0.139 56.005 56.100 -0.391 0.000 1.037 523 R CB 0.171 30.365 30.300 -0.176 0.000 0.951 523 R HN 0.878 nan 8.270 nan 0.000 0.418 524 S N 1.465 116.711 115.700 -0.755 0.000 2.655 524 S HA 0.179 4.519 4.470 -0.216 0.000 0.266 524 S C 0.434 174.639 174.600 -0.658 0.000 1.149 524 S CA -1.062 56.459 58.200 -1.132 0.000 0.818 524 S CB 0.532 63.479 63.200 -0.421 0.000 1.130 524 S HN 0.234 nan 8.310 nan 0.000 0.476 525 L N 1.061 122.024 121.223 -0.432 0.000 2.046 525 L HA 0.018 4.229 4.340 -0.216 0.000 0.208 525 L C 2.460 179.225 176.870 -0.174 0.000 1.077 525 L CA 2.041 56.782 54.840 -0.165 0.000 0.747 525 L CB -2.073 39.959 42.059 -0.046 0.000 0.896 525 L HN 0.806 nan 8.230 nan 0.000 0.432 526 E N 0.207 120.295 120.200 -0.187 0.000 2.038 526 E HA -0.250 3.970 4.350 -0.216 0.000 0.195 526 E C 2.213 178.636 176.600 -0.295 0.000 1.000 526 E CA 1.012 57.295 56.400 -0.194 0.000 0.803 526 E CB -0.511 29.097 29.700 -0.153 0.000 0.750 526 E HN 0.297 nan 8.360 nan 0.000 0.448 527 L N 0.268 121.236 121.223 -0.425 0.000 2.040 527 L HA -0.345 3.866 4.340 -0.216 0.000 0.228 527 L C 2.136 178.805 176.870 -0.334 0.000 1.092 527 L CA 1.717 56.290 54.840 -0.444 0.000 0.805 527 L CB -0.329 41.399 42.059 -0.552 0.000 0.905 527 L HN 0.098 nan 8.230 nan 0.000 0.443 528 V N -0.069 119.695 119.914 -0.250 0.000 2.427 528 V HA -0.286 3.705 4.120 -0.216 0.000 0.248 528 V C 2.299 178.266 176.094 -0.211 0.000 1.051 528 V CA 2.031 64.208 62.300 -0.205 0.000 1.048 528 V CB -0.375 31.448 31.823 0.000 0.000 0.666 528 V HN 0.439 nan 8.190 nan 0.000 0.456 529 I N 0.704 121.174 120.570 -0.167 0.000 2.315 529 I HA -0.134 3.906 4.170 -0.216 0.000 0.248 529 I C 2.639 178.647 176.117 -0.182 0.000 1.117 529 I CA 1.553 62.768 61.300 -0.141 0.000 1.404 529 I CB -1.106 36.830 38.000 -0.106 0.000 1.071 529 I HN 0.411 nan 8.210 nan 0.000 0.419 530 G N 1.789 110.460 108.800 -0.214 0.000 2.491 530 G HA2 -0.250 3.581 3.960 -0.216 0.000 0.218 530 G HA3 -0.250 3.581 3.960 -0.216 0.000 0.218 530 G C 1.694 176.419 174.900 -0.291 0.000 1.180 530 G CA 0.846 45.815 45.100 -0.219 0.000 0.774 530 G HN 0.301 nan 8.290 nan 0.000 0.562 531 I N 0.303 120.599 120.570 -0.455 0.000 2.127 531 I HA -0.185 3.856 4.170 -0.216 0.000 0.241 531 I C 2.822 178.643 176.117 -0.494 0.000 1.075 531 I CA 0.889 61.728 61.300 -0.768 0.000 1.334 531 I CB -0.307 36.989 38.000 -1.172 0.000 1.040 531 I HN 0.144 nan 8.210 nan 0.000 0.405 532 L N 0.375 121.390 121.223 -0.345 0.000 2.012 532 L HA -0.166 4.044 4.340 -0.216 0.000 0.210 532 L C 2.728 179.506 176.870 -0.153 0.000 1.073 532 L CA 1.761 56.455 54.840 -0.244 0.000 0.748 532 L CB -1.275 40.592 42.059 -0.321 0.000 0.891 532 L HN 0.334 nan 8.230 nan 0.000 0.431 533 G N -0.362 108.357 108.800 -0.136 0.000 2.469 533 G HA2 -0.238 3.592 3.960 -0.216 0.000 0.219 533 G HA3 -0.238 3.592 3.960 -0.216 0.000 0.219 533 G C 1.561 176.442 174.900 -0.031 0.000 1.150 533 G CA 1.194 46.251 45.100 -0.072 0.000 0.763 533 G HN 0.230 nan 8.290 nan 0.000 0.561 534 V N 0.781 120.669 119.914 -0.042 0.000 2.358 534 V HA -0.094 3.897 4.120 -0.216 0.000 0.246 534 V C 2.898 179.057 176.094 0.109 0.000 1.047 534 V CA 1.450 63.773 62.300 0.038 0.000 1.035 534 V CB -0.417 31.448 31.823 0.069 0.000 0.658 534 V HN 0.343 nan 8.190 nan 0.000 0.452 535 L N -0.556 120.735 121.223 0.113 0.000 2.056 535 L HA -0.142 4.068 4.340 -0.216 0.000 0.207 535 L C 2.570 179.546 176.870 0.176 0.000 1.078 535 L CA 1.561 56.525 54.840 0.206 0.000 0.749 535 L CB -0.587 41.607 42.059 0.225 0.000 0.901 535 L HN 0.245 nan 8.230 nan 0.000 0.433 536 K N 0.156 120.611 120.400 0.092 0.000 2.211 536 K HA -0.065 4.125 4.320 -0.216 0.000 0.203 536 K C 1.764 178.410 176.600 0.076 0.000 1.050 536 K CA 1.137 57.472 56.287 0.081 0.000 0.945 536 K CB -0.100 32.426 32.500 0.042 0.000 0.732 536 K HN 0.256 nan 8.250 nan 0.000 0.451 537 A N 0.395 123.257 122.820 0.070 0.000 2.302 537 A HA 0.223 4.413 4.320 -0.216 0.000 0.219 537 A C 1.225 178.853 177.584 0.073 0.000 1.243 537 A CA 0.651 52.726 52.037 0.063 0.000 0.856 537 A CB -0.330 18.701 19.000 0.053 0.000 0.893 537 A HN 0.389 nan 8.150 nan 0.000 0.491 538 G N -2.051 106.808 108.800 0.098 0.000 2.148 538 G HA2 0.047 3.878 3.960 -0.216 0.000 0.254 538 G HA3 0.047 3.878 3.960 -0.216 0.000 0.254 538 G C 0.452 175.422 174.900 0.116 0.000 0.981 538 G CA 0.588 45.745 45.100 0.095 0.000 0.670 538 G HN 1.574 nan 8.290 nan 0.000 0.528 539 A N -0.731 122.170 122.820 0.135 0.000 2.352 539 A HA 1.049 5.240 4.320 -0.216 0.000 0.299 539 A C 0.431 178.112 177.584 0.162 0.000 1.160 539 A CA 0.413 52.523 52.037 0.122 0.000 0.933 539 A CB 1.245 20.303 19.000 0.096 0.000 1.387 539 A HN 2.021 nan 8.150 nan 0.000 0.487 540 A N -0.533 122.357 122.820 0.116 0.000 2.330 540 A HA 0.677 4.867 4.320 -0.216 0.000 0.327 540 A C -0.707 176.948 177.584 0.119 0.000 1.155 540 A CA -0.516 51.572 52.037 0.084 0.000 0.803 540 A CB 0.254 19.252 19.000 -0.004 0.000 1.208 540 A HN 1.331 nan 8.150 nan 0.000 0.477 541 Y N 0.382 120.725 120.300 0.071 0.000 2.352 541 Y HA 0.704 5.130 4.550 -0.207 0.000 0.326 541 Y C -0.593 175.321 175.900 0.022 0.000 1.166 541 Y CA -1.764 56.347 58.100 0.018 0.000 1.182 541 Y CB 1.010 39.451 38.460 -0.033 0.000 1.216 541 Y HN 0.529 nan 8.280 nan 0.000 0.474 542 L N 5.417 126.683 121.223 0.072 0.000 2.353 542 L HA 0.539 4.750 4.340 -0.216 0.000 0.270 542 L C -2.944 173.874 176.870 -0.086 0.000 1.003 542 L CA -2.356 52.480 54.840 -0.005 0.000 0.862 542 L CB 1.950 44.024 42.059 0.026 0.000 1.221 542 L HN 0.504 nan 8.230 nan 0.000 0.430 543 P HA 0.113 nan 4.420 nan 0.000 0.276 543 P C -0.935 176.108 177.300 -0.429 0.000 1.243 543 P CA -0.075 62.630 63.100 -0.658 0.000 0.768 543 P CB 1.264 32.297 31.700 -1.113 0.000 0.856 544 V N 3.992 123.759 119.914 -0.245 0.000 2.357 544 V HA 0.153 4.144 4.120 -0.216 0.000 0.284 544 V C 0.338 176.492 176.094 0.101 0.000 1.018 544 V CA -0.605 61.683 62.300 -0.020 0.000 0.841 544 V CB 1.296 33.183 31.823 0.107 0.000 0.991 544 V HN 0.482 nan 8.190 nan 0.000 0.437 545 D N 7.785 128.226 120.400 0.068 0.000 2.349 545 D HA 0.115 4.626 4.640 -0.216 0.000 0.266 545 D C -1.409 174.926 176.300 0.059 0.000 1.293 545 D CA -1.677 52.378 54.000 0.092 0.000 0.926 545 D CB 1.829 42.661 40.800 0.055 0.000 1.090 545 D HN 0.230 nan 8.370 nan 0.000 0.502 546 P HA -0.183 nan 4.420 nan 0.000 0.220 546 P C 1.053 178.355 177.300 0.003 0.000 1.144 546 P CA 1.306 64.338 63.100 -0.113 0.000 0.800 546 P CB 0.021 31.538 31.700 -0.305 0.000 0.772 547 K N -1.340 119.063 120.400 0.005 0.000 2.444 547 K HA 0.029 4.220 4.320 -0.216 0.000 0.193 547 K C 0.431 177.059 176.600 0.046 0.000 1.024 547 K CA 0.048 56.349 56.287 0.024 0.000 1.077 547 K CB -0.295 32.214 32.500 0.016 0.000 0.833 547 K HN 0.033 nan 8.250 nan 0.000 0.517 548 L N 3.150 124.409 121.223 0.059 0.000 2.464 548 L HA 0.199 4.409 4.340 -0.216 0.000 0.264 548 L C -1.989 174.912 176.870 0.052 0.000 1.199 548 L CA -1.978 52.896 54.840 0.057 0.000 0.818 548 L CB 0.130 42.222 42.059 0.056 0.000 1.102 548 L HN 0.163 nan 8.230 nan 0.000 0.473 549 P HA 0.179 nan 4.420 nan 0.000 0.274 549 P C 0.396 177.712 177.300 0.027 0.000 1.231 549 P CA -0.011 63.107 63.100 0.030 0.000 0.790 549 P CB 0.364 32.076 31.700 0.020 0.000 0.951 550 E N 1.959 122.174 120.200 0.025 0.000 2.114 550 E HA -0.275 3.945 4.350 -0.216 0.000 0.199 550 E C 1.185 177.791 176.600 0.010 0.000 1.008 550 E CA 2.444 58.854 56.400 0.016 0.000 0.810 550 E CB -1.715 27.994 29.700 0.016 0.000 0.739 550 E HN 0.789 nan 8.360 nan 0.000 0.456 551 D N -1.344 119.064 120.400 0.013 0.000 2.289 551 D HA 0.044 4.555 4.640 -0.216 0.000 0.207 551 D C 1.997 178.312 176.300 0.025 0.000 0.966 551 D CA 0.601 54.612 54.000 0.019 0.000 0.868 551 D CB -0.021 40.786 40.800 0.013 0.000 0.943 551 D HN 0.352 nan 8.370 nan 0.000 0.514 552 R N -0.078 120.427 120.500 0.009 0.000 2.153 552 R HA 0.163 4.374 4.340 -0.216 0.000 0.218 552 R C 1.913 178.210 176.300 -0.005 0.000 1.072 552 R CA 0.512 56.613 56.100 0.002 0.000 0.990 552 R CB -0.060 30.234 30.300 -0.009 0.000 0.889 552 R HN 0.264 nan 8.270 nan 0.000 0.452 553 I N -0.450 120.111 120.570 -0.016 0.000 2.277 553 I HA -0.204 3.837 4.170 -0.216 0.000 0.243 553 I C 1.974 178.055 176.117 -0.060 0.000 1.094 553 I CA 0.984 62.250 61.300 -0.057 0.000 1.393 553 I CB -0.152 37.814 38.000 -0.056 0.000 1.078 553 I HN 0.051 nan 8.210 nan 0.000 0.417 554 S N 0.125 115.815 115.700 -0.016 0.000 2.387 554 S HA -0.262 4.078 4.470 -0.216 0.000 0.230 554 S C 1.925 176.539 174.600 0.024 0.000 1.035 554 S CA 1.560 59.764 58.200 0.007 0.000 1.014 554 S CB -0.489 62.728 63.200 0.029 0.000 0.836 554 S HN 0.406 nan 8.310 nan 0.000 0.466 555 Y N 1.814 122.065 120.300 -0.081 0.000 2.133 555 Y HA -0.075 4.345 4.550 -0.216 0.000 0.287 555 Y C 2.302 178.121 175.900 -0.137 0.000 1.134 555 Y CA 1.522 59.572 58.100 -0.083 0.000 1.133 555 Y CB -0.431 37.978 38.460 -0.084 0.000 0.987 555 Y HN 0.154 nan 8.280 nan 0.000 0.502 556 M N -1.063 118.414 119.600 -0.205 0.000 2.149 556 M HA -0.235 4.116 4.480 -0.216 0.000 0.261 556 M C 1.862 178.013 176.300 -0.247 0.000 1.064 556 M CA 1.142 56.145 55.300 -0.495 0.000 1.102 556 M CB -0.425 31.795 32.600 -0.635 0.000 1.369 556 M HN 0.280 nan 8.290 nan 0.000 0.408 557 L N 0.318 121.448 121.223 -0.156 0.000 1.955 557 L HA -0.164 4.047 4.340 -0.216 0.000 0.213 557 L C 2.823 179.668 176.870 -0.041 0.000 1.072 557 L CA 2.407 57.208 54.840 -0.066 0.000 0.755 557 L CB -1.793 40.261 42.059 -0.009 0.000 0.888 557 L HN 0.256 nan 8.230 nan 0.000 0.432 558 A N -0.605 122.167 122.820 -0.081 0.000 1.865 558 A HA -0.304 3.886 4.320 -0.216 0.000 0.217 558 A C 2.166 179.678 177.584 -0.120 0.000 1.191 558 A CA 2.081 54.064 52.037 -0.090 0.000 0.623 558 A CB -1.063 17.870 19.000 -0.111 0.000 0.826 558 A HN 0.484 nan 8.150 nan 0.000 0.444 559 D N -0.060 120.200 120.400 -0.233 0.000 2.116 559 D HA -0.180 4.330 4.640 -0.216 0.000 0.193 559 D C 2.231 178.525 176.300 -0.010 0.000 0.998 559 D CA 2.353 56.247 54.000 -0.177 0.000 0.836 559 D CB -0.085 40.556 40.800 -0.265 0.000 0.951 559 D HN 0.498 nan 8.370 nan 0.000 0.449 560 S N -0.577 115.158 115.700 0.058 0.000 2.453 560 S HA 0.126 4.467 4.470 -0.216 0.000 0.231 560 S C 1.526 176.146 174.600 0.034 0.000 1.005 560 S CA 0.927 59.179 58.200 0.087 0.000 0.949 560 S CB -0.190 63.089 63.200 0.132 0.000 0.774 560 S HN 0.791 nan 8.310 nan 0.000 0.510 561 A N 0.154 122.983 122.820 0.016 0.000 3.061 561 A HA 0.049 4.239 4.320 -0.216 0.000 0.244 561 A C 0.667 178.276 177.584 0.042 0.000 1.357 561 A CA 0.441 52.488 52.037 0.016 0.000 0.889 561 A CB -2.574 16.429 19.000 0.006 0.000 1.092 561 A HN 1.870 nan 8.150 nan 0.000 0.694 562 A N -0.237 122.622 122.820 0.065 0.000 2.526 562 A HA 0.551 4.741 4.320 -0.216 0.000 0.287 562 A C 1.625 179.300 177.584 0.151 0.000 1.232 562 A CA 1.136 53.228 52.037 0.091 0.000 0.900 562 A CB -0.631 18.407 19.000 0.064 0.000 1.077 562 A HN 2.056 nan 8.150 nan 0.000 0.535 563 A N 2.020 124.899 122.820 0.097 0.000 2.067 563 A HA 0.141 4.332 4.320 -0.216 0.000 0.219 563 A C 1.093 178.758 177.584 0.134 0.000 1.158 563 A CA 1.410 53.497 52.037 0.082 0.000 0.661 563 A CB -0.342 18.688 19.000 0.050 0.000 0.801 563 A HN 1.151 nan 8.150 nan 0.000 0.452 564 C N -1.906 117.493 119.300 0.164 0.000 3.173 564 C HA 0.710 5.040 4.460 -0.216 0.000 0.310 564 C C -1.906 173.123 174.990 0.065 0.000 1.306 564 C CA -0.943 58.165 59.018 0.150 0.000 1.426 564 C CB 1.421 29.196 27.740 0.059 0.000 1.800 564 C HN 0.606 nan 8.230 nan 0.000 0.470 565 L N 4.270 125.486 121.223 -0.011 0.000 2.441 565 L HA 0.802 5.013 4.340 -0.216 0.000 0.270 565 L C -1.542 175.210 176.870 -0.197 0.000 0.973 565 L CA -0.211 54.499 54.840 -0.217 0.000 0.842 565 L CB 1.491 43.229 42.059 -0.535 0.000 1.239 565 L HN 0.677 nan 8.230 nan 0.000 0.406 566 L N 5.315 126.434 121.223 -0.174 0.000 2.319 566 L HA 0.836 5.047 4.340 -0.216 0.000 0.281 566 L C -0.238 176.524 176.870 -0.180 0.000 1.005 566 L CA 0.500 55.237 54.840 -0.171 0.000 0.828 566 L CB 1.595 43.584 42.059 -0.117 0.000 1.227 566 L HN 0.861 nan 8.230 nan 0.000 0.415 567 T N 1.293 115.687 114.554 -0.267 0.000 2.538 567 T HA 0.372 4.592 4.350 -0.216 0.000 0.237 567 T C 0.271 174.944 174.700 -0.045 0.000 0.818 567 T CA -0.095 61.877 62.100 -0.212 0.000 1.193 567 T CB 1.165 69.864 68.868 -0.281 0.000 1.497 567 T HN 0.643 nan 8.240 nan 0.000 0.503 568 H N -1.322 117.774 119.070 0.044 0.000 1.855 568 H HA 0.207 4.630 4.556 -0.221 0.000 0.178 568 H C 1.279 176.775 175.328 0.280 0.000 0.923 568 H CA 0.698 56.818 56.048 0.120 0.000 0.993 568 H CB 0.981 30.730 29.762 -0.023 0.000 1.078 568 H HN 0.541 nan 8.280 nan 0.000 0.349 569 Q N -0.305 119.772 119.800 0.462 0.000 7.842 569 Q HA -0.181 4.030 4.340 -0.216 0.000 0.365 569 Q C 1.123 177.135 176.000 0.020 0.000 1.012 569 Q CA 1.503 57.412 55.803 0.177 0.000 0.539 569 Q CB -1.327 27.409 28.738 -0.002 0.000 0.172 569 Q HN 0.597 nan 8.270 nan 0.000 0.896 570 E N 0.542 120.656 120.200 -0.144 0.000 2.418 570 E HA -0.066 4.154 4.350 -0.216 0.000 0.197 570 E C 0.705 177.273 176.600 -0.054 0.000 1.026 570 E CA 1.016 57.321 56.400 -0.158 0.000 0.862 570 E CB 0.028 29.550 29.700 -0.296 0.000 0.799 570 E HN 0.483 nan 8.360 nan 0.000 0.518 571 M N 1.053 120.680 119.600 0.045 0.000 2.738 571 M HA 0.210 4.560 4.480 -0.216 0.000 0.295 571 M C 1.241 177.687 176.300 0.244 0.000 1.266 571 M CA 0.004 55.369 55.300 0.108 0.000 0.985 571 M CB 0.305 32.930 32.600 0.042 0.000 1.365 571 M HN -0.010 nan 8.290 nan 0.000 0.492 572 K N 1.673 122.214 120.400 0.235 0.000 2.360 572 K HA -0.135 4.055 4.320 -0.216 0.000 0.201 572 K C 1.335 178.071 176.600 0.227 0.000 1.046 572 K CA 0.976 57.443 56.287 0.300 0.000 0.945 572 K CB 0.317 32.909 32.500 0.152 0.000 0.750 572 K HN 0.238 nan 8.250 nan 0.000 0.464 573 E N 0.690 120.996 120.200 0.177 0.000 2.330 573 E HA -0.072 4.148 4.350 -0.216 0.000 0.210 573 E C 1.139 177.850 176.600 0.186 0.000 1.256 573 E CA 0.475 56.965 56.400 0.150 0.000 1.346 573 E CB -0.287 29.480 29.700 0.113 0.000 1.308 573 E HN 0.391 nan 8.360 nan 0.000 0.441 574 Q N 0.475 120.394 119.800 0.198 0.000 2.224 574 Q HA 0.028 4.239 4.340 -0.216 0.000 0.203 574 Q C 2.131 178.117 176.000 -0.024 0.000 0.970 574 Q CA 1.734 57.540 55.803 0.005 0.000 0.865 574 Q CB -0.491 28.217 28.738 -0.049 0.000 0.922 574 Q HN 0.608 nan 8.270 nan 0.000 0.445 575 A N 0.306 123.163 122.820 0.063 0.000 1.821 575 A HA 0.281 4.471 4.320 -0.216 0.000 0.215 575 A C 2.374 179.981 177.584 0.037 0.000 1.216 575 A CA 2.931 55.001 52.037 0.055 0.000 0.615 575 A CB -1.245 17.800 19.000 0.076 0.000 0.862 575 A HN 2.021 nan 8.150 nan 0.000 0.450 576 A N -1.443 121.411 122.820 0.056 0.000 5.251 576 A HA -0.288 3.902 4.320 -0.216 0.000 0.334 576 A C 0.478 178.082 177.584 0.033 0.000 1.764 576 A CA 1.899 53.965 52.037 0.050 0.000 0.708 576 A CB -1.434 17.601 19.000 0.057 0.000 1.420 576 A HN 0.806 nan 8.150 nan 0.000 0.394 577 E N -1.287 118.927 120.200 0.024 0.000 3.544 577 E HA 0.405 4.625 4.350 -0.216 0.000 0.264 577 E C 0.056 176.661 176.600 0.009 0.000 1.225 577 E CA -0.301 56.109 56.400 0.018 0.000 1.045 577 E CB 0.424 30.135 29.700 0.018 0.000 1.338 577 E HN 0.406 nan 8.360 nan 0.000 0.395 578 L N 1.258 122.479 121.223 -0.004 0.000 1.988 578 L HA -0.019 4.192 4.340 -0.216 0.000 0.207 578 L C -0.852 176.018 176.870 -0.001 0.000 1.071 578 L CA 1.943 56.769 54.840 -0.024 0.000 0.744 578 L CB -1.177 40.832 42.059 -0.082 0.000 0.893 578 L HN 0.374 nan 8.230 nan 0.000 0.433 579 P HA 0.177 nan 4.420 nan 0.000 0.321 579 P C -1.626 175.735 177.300 0.102 0.000 1.304 579 P CA -0.277 62.844 63.100 0.034 0.000 0.759 579 P CB 1.000 32.712 31.700 0.020 0.000 1.385 580 Y N -1.655 118.602 120.300 -0.072 0.000 2.208 580 Y HA 0.163 4.583 4.550 -0.217 0.000 0.315 580 Y C -0.136 175.728 175.900 -0.061 0.000 1.226 580 Y CA -0.198 57.854 58.100 -0.080 0.000 1.377 580 Y CB 0.099 38.485 38.460 -0.123 0.000 1.290 580 Y HN 0.170 nan 8.280 nan 0.000 0.386 581 T N 2.894 117.225 114.554 -0.371 0.000 3.169 581 T HA 0.209 4.430 4.350 -0.216 0.000 0.250 581 T C 1.062 175.495 174.700 -0.445 0.000 1.111 581 T CA 0.545 62.468 62.100 -0.296 0.000 1.010 581 T CB -0.016 68.746 68.868 -0.176 0.000 0.984 581 T HN 0.771 nan 8.240 nan 0.000 0.537 582 G N 1.148 109.342 108.800 -1.010 0.000 2.651 582 G HA2 0.350 4.181 3.960 -0.216 0.000 0.260 582 G HA3 0.350 4.181 3.960 -0.216 0.000 0.260 582 G C -0.117 174.618 174.900 -0.274 0.000 1.216 582 G CA -0.499 44.114 45.100 -0.813 0.000 0.913 582 G HN 0.202 nan 8.290 nan 0.000 0.535 583 T N 0.303 114.829 114.554 -0.046 0.000 2.870 583 T HA 0.435 4.656 4.350 -0.216 0.000 0.300 583 T C 0.665 175.422 174.700 0.096 0.000 0.989 583 T CA 0.550 62.665 62.100 0.025 0.000 1.139 583 T CB 0.750 69.625 68.868 0.011 0.000 0.920 583 T HN 0.803 nan 8.240 nan 0.000 0.537 584 T N 2.701 117.268 114.554 0.023 0.000 2.881 584 T HA 0.669 4.890 4.350 -0.216 0.000 0.291 584 T C -1.038 173.565 174.700 -0.160 0.000 0.990 584 T CA -0.900 61.161 62.100 -0.064 0.000 0.976 584 T CB 0.291 69.122 68.868 -0.062 0.000 0.970 584 T HN 0.236 nan 8.240 nan 0.000 0.438 585 L N 3.956 125.045 121.223 -0.223 0.000 2.365 585 L HA 0.671 4.882 4.340 -0.216 0.000 0.273 585 L C -0.650 176.107 176.870 -0.188 0.000 1.000 585 L CA -0.757 53.994 54.840 -0.148 0.000 0.819 585 L CB 1.756 43.725 42.059 -0.149 0.000 1.284 585 L HN 0.647 nan 8.230 nan 0.000 0.418 586 F N 2.945 122.882 119.950 -0.022 0.000 2.385 586 F HA 0.345 4.737 4.527 -0.226 0.000 0.336 586 F C 1.134 176.924 175.800 -0.017 0.000 1.100 586 F CA -0.423 57.576 58.000 -0.002 0.000 1.116 586 F CB 1.417 40.428 39.000 0.018 0.000 1.166 586 F HN 0.390 nan 8.300 nan 0.000 0.511 587 I N 2.381 123.039 120.570 0.145 0.000 3.928 587 I HA -0.043 3.997 4.170 -0.216 0.000 0.335 587 I C 1.567 177.746 176.117 0.104 0.000 1.325 587 I CA 0.624 61.968 61.300 0.072 0.000 1.107 587 I CB -0.884 37.106 38.000 -0.016 0.000 1.014 587 I HN 0.788 nan 8.210 nan 0.000 0.400 588 D N 1.028 121.538 120.400 0.184 0.000 2.158 588 D HA -0.237 4.274 4.640 -0.216 0.000 0.197 588 D C 0.976 177.332 176.300 0.093 0.000 0.995 588 D CA 1.078 55.154 54.000 0.126 0.000 0.846 588 D CB -0.142 40.719 40.800 0.102 0.000 0.941 588 D HN 0.228 nan 8.370 nan 0.000 0.456 589 D N -0.182 120.284 120.400 0.110 0.000 2.450 589 D HA -0.057 4.453 4.640 -0.216 0.000 0.247 589 D C 0.920 177.286 176.300 0.111 0.000 1.162 589 D CA -0.003 54.043 54.000 0.077 0.000 0.879 589 D CB 1.006 41.868 40.800 0.103 0.000 1.163 589 D HN 0.418 nan 8.370 nan 0.000 0.472 590 Q N 1.231 121.107 119.800 0.128 0.000 2.436 590 Q HA -0.048 4.162 4.340 -0.216 0.000 0.209 590 Q C 1.392 177.547 176.000 0.258 0.000 0.965 590 Q CA 0.893 56.839 55.803 0.239 0.000 0.910 590 Q CB -0.222 28.603 28.738 0.146 0.000 0.980 590 Q HN 0.266 nan 8.270 nan 0.000 0.491 591 T N 1.068 115.712 114.554 0.149 0.000 3.113 591 T HA -0.069 4.151 4.350 -0.216 0.000 0.263 591 T C 1.436 176.204 174.700 0.113 0.000 1.143 591 T CA 0.887 63.063 62.100 0.127 0.000 1.090 591 T CB -0.192 68.730 68.868 0.089 0.000 0.922 591 T HN 0.596 nan 8.240 nan 0.000 0.521 592 R N 0.823 121.364 120.500 0.069 0.000 2.120 592 R HA -0.055 4.156 4.340 -0.216 0.000 0.234 592 R C 1.465 177.709 176.300 -0.094 0.000 1.123 592 R CA 1.400 57.462 56.100 -0.063 0.000 0.975 592 R CB -0.933 29.245 30.300 -0.205 0.000 0.866 592 R HN 0.319 nan 8.270 nan 0.000 0.446 593 F N 2.160 122.129 119.950 0.032 0.000 2.494 593 F HA -0.043 4.505 4.527 0.035 0.000 0.298 593 F C 2.181 177.998 175.800 0.028 0.000 1.106 593 F CA 0.853 58.870 58.000 0.028 0.000 1.452 593 F CB -0.018 38.995 39.000 0.023 0.000 1.085 593 F HN 0.050 nan 8.300 nan 0.000 0.569 594 E N 0.600 120.897 120.200 0.162 0.000 2.110 594 E HA -0.120 4.100 4.350 -0.216 0.000 0.193 594 E C 0.719 177.364 176.600 0.074 0.000 0.988 594 E CA 0.765 57.229 56.400 0.107 0.000 0.804 594 E CB -0.354 29.396 29.700 0.084 0.000 0.745 594 E HN 0.483 nan 8.360 nan 0.000 0.458 595 E N 0.710 120.941 120.200 0.052 0.000 2.342 595 E HA 0.136 4.357 4.350 -0.216 0.000 0.257 595 E C -0.106 176.515 176.600 0.034 0.000 1.150 595 E CA -0.245 56.176 56.400 0.035 0.000 0.926 595 E CB 0.625 30.338 29.700 0.021 0.000 1.074 595 E HN 0.006 nan 8.360 nan 0.000 0.449 596 Q N -0.039 119.779 119.800 0.030 0.000 2.340 596 Q HA 0.282 4.492 4.340 -0.216 0.000 0.249 596 Q C -0.193 175.824 176.000 0.027 0.000 0.957 596 Q CA -0.150 55.674 55.803 0.034 0.000 0.882 596 Q CB 1.074 29.832 28.738 0.032 0.000 1.235 596 Q HN 0.607 nan 8.270 nan 0.000 0.439 597 A N 1.729 124.571 122.820 0.037 0.000 2.379 597 A HA 0.184 4.374 4.320 -0.216 0.000 0.236 597 A C 0.147 177.758 177.584 0.044 0.000 1.272 597 A CA -0.189 51.869 52.037 0.036 0.000 0.886 597 A CB 0.460 19.490 19.000 0.050 0.000 0.962 597 A HN 0.509 nan 8.150 nan 0.000 0.504 598 S N 1.434 117.159 115.700 0.041 0.000 2.632 598 S HA 0.369 4.709 4.470 -0.216 0.000 0.271 598 S C -0.110 174.518 174.600 0.046 0.000 1.260 598 S CA -0.644 57.582 58.200 0.044 0.000 1.010 598 S CB 0.845 64.067 63.200 0.038 0.000 0.965 598 S HN 0.673 nan 8.310 nan 0.000 0.534 599 D N 1.006 121.440 120.400 0.056 0.000 2.348 599 D HA 0.415 4.926 4.640 -0.216 0.000 0.249 599 D C -2.570 173.758 176.300 0.048 0.000 1.110 599 D CA -1.520 52.515 54.000 0.059 0.000 0.967 599 D CB -0.301 40.549 40.800 0.083 0.000 1.139 599 D HN 0.135 nan 8.370 nan 0.000 0.466 600 P HA 0.322 nan 4.420 nan 0.000 0.278 600 P C -0.583 176.741 177.300 0.040 0.000 1.266 600 P CA -0.692 62.431 63.100 0.038 0.000 0.807 600 P CB 0.528 32.249 31.700 0.035 0.000 1.094 601 A N 0.267 123.106 122.820 0.031 0.000 3.019 601 A HA 0.229 4.419 4.320 -0.216 0.000 0.262 601 A C 0.616 178.214 177.584 0.023 0.000 1.509 601 A CA -0.218 51.836 52.037 0.028 0.000 1.159 601 A CB -1.647 17.365 19.000 0.020 0.000 1.042 601 A HN 0.531 nan 8.150 nan 0.000 0.641 602 T N -0.084 114.487 114.554 0.030 0.000 2.825 602 T HA 0.446 4.667 4.350 -0.216 0.000 0.270 602 T C 0.498 175.202 174.700 0.006 0.000 0.919 602 T CA 0.019 62.132 62.100 0.022 0.000 1.159 602 T CB 0.118 69.006 68.868 0.034 0.000 0.889 602 T HN 0.862 nan 8.240 nan 0.000 0.565 603 A N 5.111 127.928 122.820 -0.007 0.000 2.561 603 A HA 0.451 4.642 4.320 -0.216 0.000 0.251 603 A C 0.324 177.881 177.584 -0.046 0.000 1.062 603 A CA -0.151 51.870 52.037 -0.027 0.000 0.761 603 A CB -0.452 18.532 19.000 -0.027 0.000 0.986 603 A HN 0.943 nan 8.150 nan 0.000 0.510 604 I N 2.032 122.554 120.570 -0.079 0.000 2.545 604 I HA 0.223 4.264 4.170 -0.216 0.000 0.292 604 I C -0.772 175.243 176.117 -0.170 0.000 1.040 604 I CA -0.728 60.487 61.300 -0.141 0.000 1.068 604 I CB 2.206 40.078 38.000 -0.214 0.000 1.251 604 I HN 0.629 nan 8.210 nan 0.000 0.424 605 D N 7.917 128.217 120.400 -0.167 0.000 2.313 605 D HA 0.268 4.779 4.640 -0.216 0.000 0.239 605 D C -1.818 174.378 176.300 -0.173 0.000 1.142 605 D CA -2.188 51.731 54.000 -0.136 0.000 0.847 605 D CB 2.061 42.809 40.800 -0.086 0.000 1.082 605 D HN 0.115 nan 8.370 nan 0.000 0.480 606 P HA -0.187 nan 4.420 nan 0.000 0.220 606 P C 0.471 177.778 177.300 0.012 0.000 1.155 606 P CA 1.509 64.581 63.100 -0.047 0.000 0.880 606 P CB 0.107 31.808 31.700 0.002 0.000 0.790 607 N N -1.445 117.245 118.700 -0.016 0.000 2.571 607 N HA -0.041 4.569 4.740 -0.216 0.000 0.189 607 N C -0.017 175.486 175.510 -0.011 0.000 1.154 607 N CA -0.167 52.876 53.050 -0.011 0.000 0.907 607 N CB -0.259 38.212 38.487 -0.026 0.000 0.977 607 N HN 0.239 nan 8.380 nan 0.000 0.449 608 D N 1.485 121.884 120.400 -0.003 0.000 2.357 608 D HA 0.129 4.640 4.640 -0.216 0.000 0.242 608 D C -2.255 174.103 176.300 0.095 0.000 1.153 608 D CA -1.379 52.633 54.000 0.020 0.000 0.918 608 D CB 0.301 41.097 40.800 -0.005 0.000 1.181 608 D HN -0.023 nan 8.370 nan 0.000 0.435 609 P HA 0.083 nan 4.420 nan 0.000 0.268 609 P C -0.435 176.876 177.300 0.018 0.000 1.204 609 P CA 0.036 63.117 63.100 -0.030 0.000 0.768 609 P CB 0.811 32.471 31.700 -0.066 0.000 0.842 610 A N 3.382 126.084 122.820 -0.198 0.000 1.942 610 A HA 0.239 4.430 4.320 -0.216 0.000 0.209 610 A C 0.179 177.601 177.584 -0.269 0.000 1.214 610 A CA 1.179 53.033 52.037 -0.305 0.000 0.686 610 A CB -0.449 18.256 19.000 -0.491 0.000 0.871 610 A HN 0.674 nan 8.150 nan 0.000 0.460 611 Y N -3.294 116.752 120.300 -0.423 0.000 2.689 611 Y HA 0.748 5.168 4.550 -0.217 0.000 0.333 611 Y C -1.296 174.399 175.900 -0.342 0.000 1.208 611 Y CA -1.745 55.994 58.100 -0.601 0.000 1.055 611 Y CB 0.775 38.500 38.460 -1.225 0.000 1.304 611 Y HN -0.045 nan 8.280 nan 0.000 0.455 612 I N 3.943 124.519 120.570 0.011 0.000 2.466 612 I HA 0.517 4.558 4.170 -0.216 0.000 0.289 612 I C -0.852 175.337 176.117 0.122 0.000 1.026 612 I CA -1.088 60.224 61.300 0.020 0.000 1.078 612 I CB 1.975 39.962 38.000 -0.023 0.000 1.249 612 I HN 0.756 nan 8.210 nan 0.000 0.429 613 M N 4.369 124.048 119.600 0.131 0.000 2.457 613 M HA 0.561 4.912 4.480 -0.216 0.000 0.300 613 M C -1.783 174.587 176.300 0.116 0.000 1.141 613 M CA -0.857 54.541 55.300 0.163 0.000 0.901 613 M CB 2.112 34.785 32.600 0.122 0.000 1.687 613 M HN 0.209 nan 8.290 nan 0.000 0.449 614 Y N 1.043 121.385 120.300 0.071 0.000 2.307 614 Y HA 0.654 5.074 4.550 -0.217 0.000 0.324 614 Y C 0.983 176.924 175.900 0.067 0.000 1.238 614 Y CA 0.078 58.226 58.100 0.080 0.000 1.280 614 Y CB 1.492 40.004 38.460 0.087 0.000 1.248 614 Y HN 0.819 nan 8.280 nan 0.000 0.508 615 T N -1.778 112.869 114.554 0.155 0.000 2.883 615 T HA 0.499 4.720 4.350 -0.216 0.000 0.296 615 T C -0.747 173.991 174.700 0.064 0.000 1.117 615 T CA -1.038 61.111 62.100 0.083 0.000 1.006 615 T CB 1.554 70.445 68.868 0.038 0.000 1.191 615 T HN 0.450 nan 8.240 nan 0.000 0.508 616 S N -0.044 115.671 115.700 0.025 0.000 2.411 616 S HA 0.623 4.963 4.470 -0.216 0.000 0.294 616 S C 0.805 175.401 174.600 -0.006 0.000 1.115 616 S CA 0.148 58.353 58.200 0.008 0.000 1.071 616 S CB -0.078 63.122 63.200 -0.000 0.000 0.967 616 S HN 1.049 nan 8.310 nan 0.000 0.488 617 G N 2.031 110.817 108.800 -0.024 0.000 2.641 617 G HA2 0.052 3.882 3.960 -0.216 0.000 0.211 617 G HA3 0.052 3.882 3.960 -0.216 0.000 0.211 617 G C 0.463 175.337 174.900 -0.043 0.000 1.338 617 G CA 0.014 45.097 45.100 -0.028 0.000 0.572 617 G HN 0.623 nan 8.290 nan 0.000 1.023 618 T N 3.447 117.956 114.554 -0.075 0.000 3.333 618 T HA 0.297 4.518 4.350 -0.216 0.000 0.240 618 T C 0.483 175.157 174.700 -0.043 0.000 0.961 618 T CA 0.223 62.284 62.100 -0.066 0.000 1.215 618 T CB -1.586 67.232 68.868 -0.084 0.000 1.031 618 T HN 0.210 nan 8.240 nan 0.000 0.709 619 T N 4.294 118.829 114.554 -0.032 0.000 2.596 619 T HA 0.360 4.581 4.350 -0.216 0.000 0.252 619 T C 1.320 176.000 174.700 -0.033 0.000 1.033 619 T CA 0.455 62.538 62.100 -0.028 0.000 1.215 619 T CB -0.449 68.406 68.868 -0.022 0.000 1.011 619 T HN 1.034 nan 8.240 nan 0.000 0.498 620 G N 3.612 112.387 108.800 -0.041 0.000 1.781 620 G HA2 -0.030 3.800 3.960 -0.216 0.000 0.082 620 G HA3 -0.030 3.800 3.960 -0.216 0.000 0.082 620 G C -0.918 173.933 174.900 -0.083 0.000 0.919 620 G CA -0.838 44.229 45.100 -0.055 0.000 1.202 620 G HN 0.663 nan 8.290 nan 0.000 0.393 621 K N 2.011 122.348 120.400 -0.106 0.000 2.166 621 K HA 0.588 4.779 4.320 -0.216 0.000 0.245 621 K C -2.525 174.022 176.600 -0.088 0.000 0.967 621 K CA -1.537 54.639 56.287 -0.185 0.000 0.863 621 K CB 2.389 34.673 32.500 -0.360 0.000 1.107 621 K HN 0.296 nan 8.250 nan 0.000 0.436 622 P HA 0.130 nan 4.420 nan 0.000 0.281 622 P C -1.568 175.890 177.300 0.263 0.000 1.249 622 P CA -0.519 62.641 63.100 0.100 0.000 0.810 622 P CB 0.687 32.468 31.700 0.135 0.000 1.008 623 K N 0.689 121.181 120.400 0.154 0.000 2.244 623 K HA 0.677 4.868 4.320 -0.216 0.000 0.260 623 K C 0.176 176.695 176.600 -0.135 0.000 0.951 623 K CA -0.925 55.385 56.287 0.039 0.000 0.826 623 K CB 1.385 33.764 32.500 -0.203 0.000 1.108 623 K HN 0.420 nan 8.250 nan 0.000 0.433 624 G N 1.958 110.465 108.800 -0.489 0.000 2.355 624 G HA2 0.086 3.917 3.960 -0.216 0.000 0.276 624 G HA3 0.086 3.917 3.960 -0.216 0.000 0.276 624 G C -0.845 173.904 174.900 -0.252 0.000 1.198 624 G CA -0.511 44.016 45.100 -0.955 0.000 0.876 624 G HN 0.747 nan 8.290 nan 0.000 0.478 625 N N 1.347 119.954 118.700 -0.155 0.000 2.430 625 N HA 0.416 5.027 4.740 -0.216 0.000 0.292 625 N C -0.334 175.076 175.510 -0.167 0.000 1.051 625 N CA -0.703 52.314 53.050 -0.055 0.000 0.917 625 N CB 1.086 39.585 38.487 0.020 0.000 1.164 625 N HN 0.308 nan 8.380 nan 0.000 0.484 626 I N 2.690 123.127 120.570 -0.221 0.000 2.291 626 I HA 0.200 4.240 4.170 -0.216 0.000 0.290 626 I C -0.070 175.852 176.117 -0.326 0.000 1.050 626 I CA -0.353 60.794 61.300 -0.255 0.000 1.245 626 I CB 0.902 38.765 38.000 -0.228 0.000 1.405 626 I HN 0.449 nan 8.210 nan 0.000 0.478 627 T N 3.718 117.976 114.554 -0.494 0.000 2.907 627 T HA 0.404 4.625 4.350 -0.216 0.000 0.284 627 T C 0.194 174.555 174.700 -0.566 0.000 1.004 627 T CA -0.440 61.274 62.100 -0.643 0.000 1.063 627 T CB 1.617 69.780 68.868 -1.175 0.000 0.992 627 T HN 0.421 nan 8.240 nan 0.000 0.483 628 T N 0.988 115.312 114.554 -0.382 0.000 2.908 628 T HA 0.315 4.536 4.350 -0.216 0.000 0.290 628 T C 1.208 175.828 174.700 -0.134 0.000 1.034 628 T CA -0.719 61.270 62.100 -0.186 0.000 1.010 628 T CB 1.250 70.055 68.868 -0.104 0.000 1.068 628 T HN 0.666 nan 8.240 nan 0.000 0.481 629 H N 1.298 120.321 119.070 -0.079 0.000 2.290 629 H HA -0.132 4.293 4.556 -0.218 0.000 0.298 629 H C 2.341 177.676 175.328 0.013 0.000 1.087 629 H CA 1.605 57.647 56.048 -0.009 0.000 1.291 629 H CB -0.142 29.652 29.762 0.054 0.000 1.369 629 H HN 0.687 nan 8.280 nan 0.000 0.492 630 A N 1.312 124.229 122.820 0.161 0.000 1.940 630 A HA -0.234 3.957 4.320 -0.216 0.000 0.219 630 A C 2.207 179.822 177.584 0.052 0.000 1.176 630 A CA 1.840 53.948 52.037 0.119 0.000 0.631 630 A CB -0.891 18.158 19.000 0.082 0.000 0.814 630 A HN 0.536 nan 8.150 nan 0.000 0.446 631 N N -0.322 118.369 118.700 -0.014 0.000 2.037 631 N HA -0.187 4.424 4.740 -0.216 0.000 0.196 631 N C 1.609 177.076 175.510 -0.071 0.000 1.034 631 N CA 1.843 54.855 53.050 -0.062 0.000 0.861 631 N CB -0.344 38.059 38.487 -0.139 0.000 1.039 631 N HN 0.555 nan 8.380 nan 0.000 0.427 632 I N 0.677 121.179 120.570 -0.114 0.000 2.353 632 I HA -0.226 3.814 4.170 -0.216 0.000 0.248 632 I C 2.604 178.656 176.117 -0.107 0.000 1.119 632 I CA 0.743 61.938 61.300 -0.175 0.000 1.417 632 I CB -0.344 37.407 38.000 -0.414 0.000 1.078 632 I HN 0.277 nan 8.210 nan 0.000 0.421 633 Q N 1.398 121.188 119.800 -0.017 0.000 2.152 633 Q HA -0.210 4.001 4.340 -0.216 0.000 0.206 633 Q C 2.228 178.228 176.000 0.000 0.000 0.985 633 Q CA 2.013 57.814 55.803 -0.003 0.000 0.863 633 Q CB -0.304 28.564 28.738 0.217 0.000 0.904 633 Q HN 0.573 nan 8.270 nan 0.000 0.422 634 G N 1.243 110.062 108.800 0.032 0.000 2.450 634 G HA2 -0.250 3.581 3.960 -0.216 0.000 0.220 634 G HA3 -0.250 3.581 3.960 -0.216 0.000 0.220 634 G C 1.351 176.277 174.900 0.045 0.000 1.130 634 G CA 0.567 45.697 45.100 0.051 0.000 0.760 634 G HN 0.400 nan 8.290 nan 0.000 0.557 635 L N 0.797 122.021 121.223 0.000 0.000 2.240 635 L HA 0.072 4.282 4.340 -0.216 0.000 0.211 635 L C 2.463 179.440 176.870 0.178 0.000 1.106 635 L CA 1.572 56.416 54.840 0.007 0.000 0.793 635 L CB 0.180 42.193 42.059 -0.077 0.000 0.927 635 L HN 0.303 nan 8.230 nan 0.000 0.446 636 V N -5.204 114.761 119.914 0.085 0.000 3.480 636 V HA 0.290 4.280 4.120 -0.216 0.000 0.263 636 V C 0.522 176.568 176.094 -0.080 0.000 1.442 636 V CA -0.370 61.969 62.300 0.066 0.000 1.053 636 V CB 0.493 32.294 31.823 -0.036 0.000 0.846 636 V HN -0.024 nan 8.190 nan 0.000 0.440 637 K N 1.112 121.403 120.400 -0.182 0.000 2.221 637 K HA 0.467 4.657 4.320 -0.216 0.000 0.258 637 K C -0.508 175.988 176.600 -0.173 0.000 0.944 637 K CA -0.585 55.475 56.287 -0.377 0.000 0.823 637 K CB 0.693 32.765 32.500 -0.714 0.000 1.113 637 K HN 0.510 nan 8.250 nan 0.000 0.431 638 H N -0.787 118.166 119.070 -0.195 0.000 2.748 638 H HA -0.127 4.299 4.556 -0.216 0.000 0.322 638 H C -0.251 175.064 175.328 -0.022 0.000 1.208 638 H CA 0.660 56.586 56.048 -0.204 0.000 1.151 638 H CB -1.948 27.577 29.762 -0.394 0.000 1.505 638 H HN 0.361 nan 8.280 nan 0.000 0.429 639 V N -1.303 118.648 119.914 0.062 0.000 2.656 639 V HA 0.410 4.400 4.120 -0.216 0.000 0.307 639 V C 0.814 176.945 176.094 0.060 0.000 1.051 639 V CA -0.325 62.071 62.300 0.160 0.000 0.893 639 V CB 2.485 34.502 31.823 0.325 0.000 0.999 639 V HN 0.232 nan 8.190 nan 0.000 0.426 640 D N 2.238 122.706 120.400 0.112 0.000 2.398 640 D HA 0.030 4.541 4.640 -0.216 0.000 0.210 640 D C 0.522 176.843 176.300 0.035 0.000 1.094 640 D CA -0.033 53.985 54.000 0.029 0.000 0.839 640 D CB -0.307 40.526 40.800 0.055 0.000 0.963 640 D HN 0.806 nan 8.370 nan 0.000 0.506 641 Y N 2.552 122.888 120.300 0.060 0.000 2.650 641 Y HA 0.271 4.691 4.550 -0.217 0.000 0.331 641 Y C 1.376 177.263 175.900 -0.022 0.000 1.165 641 Y CA -1.821 56.311 58.100 0.052 0.000 1.473 641 Y CB 0.105 38.639 38.460 0.123 0.000 1.224 641 Y HN -0.078 nan 8.280 nan 0.000 0.533 642 M N 3.459 122.895 119.600 -0.272 0.000 1.819 642 M HA -0.129 4.221 4.480 -0.216 0.000 0.278 642 M C -1.057 174.795 176.300 -0.746 0.000 0.777 642 M CA 0.948 55.991 55.300 -0.428 0.000 0.692 642 M CB -1.379 31.026 32.600 -0.326 0.000 1.002 642 M HN 1.117 nan 8.290 nan 0.000 0.317 643 A N 1.548 123.987 122.820 -0.635 0.000 2.342 643 A HA 0.803 4.993 4.320 -0.216 0.000 0.323 643 A C -1.231 176.010 177.584 -0.571 0.000 1.125 643 A CA -0.722 50.977 52.037 -0.563 0.000 0.785 643 A CB 0.566 19.408 19.000 -0.264 0.000 1.221 643 A HN 0.663 nan 8.150 nan 0.000 0.463 644 F N 1.258 121.197 119.950 -0.017 0.000 2.470 644 F HA 0.739 5.138 4.527 -0.214 0.000 0.329 644 F C 0.955 176.772 175.800 0.030 0.000 1.072 644 F CA -0.153 57.885 58.000 0.065 0.000 0.989 644 F CB 2.255 41.380 39.000 0.207 0.000 1.193 644 F HN 0.683 nan 8.300 nan 0.000 0.481 645 S N -0.690 115.157 115.700 0.246 0.000 2.685 645 S HA 0.272 4.613 4.470 -0.216 0.000 0.282 645 S C 0.271 174.934 174.600 0.105 0.000 1.159 645 S CA -0.740 57.528 58.200 0.114 0.000 0.833 645 S CB 1.477 64.713 63.200 0.060 0.000 1.151 645 S HN 0.611 nan 8.310 nan 0.000 0.485 646 D N 0.140 120.565 120.400 0.041 0.000 2.239 646 D HA -0.127 4.383 4.640 -0.216 0.000 0.202 646 D C 1.174 177.513 176.300 0.065 0.000 0.993 646 D CA 1.402 55.420 54.000 0.029 0.000 0.874 646 D CB 0.050 40.844 40.800 -0.009 0.000 0.922 646 D HN 0.490 nan 8.370 nan 0.000 0.464 647 Q N 0.507 120.350 119.800 0.072 0.000 2.360 647 Q HA 0.067 4.278 4.340 -0.216 0.000 0.202 647 Q C -0.284 175.775 176.000 0.098 0.000 0.915 647 Q CA 0.252 56.098 55.803 0.071 0.000 0.943 647 Q CB 0.277 29.045 28.738 0.049 0.000 1.064 647 Q HN 0.347 nan 8.270 nan 0.000 0.511 648 D N 0.941 121.433 120.400 0.154 0.000 2.225 648 D HA 0.255 4.765 4.640 -0.216 0.000 0.249 648 D C -0.329 176.104 176.300 0.222 0.000 1.052 648 D CA 0.057 54.170 54.000 0.188 0.000 0.909 648 D CB 1.401 42.383 40.800 0.303 0.000 1.186 648 D HN -0.232 nan 8.370 nan 0.000 0.431 649 T N 1.829 116.483 114.554 0.167 0.000 2.833 649 T HA 0.338 4.558 4.350 -0.216 0.000 0.297 649 T C -0.297 174.507 174.700 0.175 0.000 1.015 649 T CA -0.502 61.708 62.100 0.183 0.000 0.963 649 T CB 0.049 68.981 68.868 0.107 0.000 0.955 649 T HN 0.043 nan 8.240 nan 0.000 0.449 650 F N 2.524 122.489 119.950 0.024 0.000 2.375 650 F HA 0.592 4.991 4.527 -0.213 0.000 0.333 650 F C 0.111 175.945 175.800 0.057 0.000 1.104 650 F CA -1.390 56.628 58.000 0.030 0.000 1.149 650 F CB 0.945 39.913 39.000 -0.054 0.000 1.190 650 F HN 0.273 nan 8.300 nan 0.000 0.533 651 L N 2.576 123.943 121.223 0.241 0.000 2.305 651 L HA 0.429 4.639 4.340 -0.216 0.000 0.284 651 L C -0.237 176.784 176.870 0.251 0.000 1.013 651 L CA -0.231 54.735 54.840 0.210 0.000 0.819 651 L CB 1.347 43.507 42.059 0.168 0.000 1.227 651 L HN 0.492 nan 8.230 nan 0.000 0.417 652 S N 3.634 119.472 115.700 0.230 0.000 2.439 652 S HA 0.389 4.729 4.470 -0.216 0.000 0.282 652 S C 0.693 175.444 174.600 0.253 0.000 1.170 652 S CA -0.222 58.132 58.200 0.257 0.000 1.054 652 S CB 0.509 63.862 63.200 0.255 0.000 0.956 652 S HN 0.694 nan 8.310 nan 0.000 0.490 653 V N 2.471 122.548 119.914 0.271 0.000 3.427 653 V HA 0.469 4.460 4.120 -0.216 0.000 0.305 653 V C 0.256 176.481 176.094 0.219 0.000 1.412 653 V CA -0.305 62.125 62.300 0.217 0.000 1.086 653 V CB 0.028 31.969 31.823 0.197 0.000 0.964 653 V HN 0.596 nan 8.190 nan 0.000 0.439 654 S N 3.191 119.059 115.700 0.280 0.000 2.442 654 S HA 0.415 4.756 4.470 -0.216 0.000 0.297 654 S C -0.044 174.626 174.600 0.117 0.000 1.131 654 S CA -0.290 58.052 58.200 0.237 0.000 1.092 654 S CB 1.023 64.395 63.200 0.287 0.000 0.998 654 S HN 0.614 nan 8.310 nan 0.000 0.478 655 N N 2.387 120.998 118.700 -0.148 0.000 2.357 655 N HA -0.121 4.489 4.740 -0.216 0.000 0.257 655 N C 0.837 176.170 175.510 -0.295 0.000 1.250 655 N CA 0.153 52.985 53.050 -0.363 0.000 0.862 655 N CB 0.092 38.117 38.487 -0.770 0.000 1.066 655 N HN 0.845 nan 8.380 nan 0.000 0.468 656 Y N 1.829 121.755 120.300 -0.623 0.000 2.616 656 Y HA 0.170 4.589 4.550 -0.218 0.000 0.296 656 Y C 1.544 177.224 175.900 -0.367 0.000 1.154 656 Y CA 0.147 57.772 58.100 -0.791 0.000 1.325 656 Y CB -0.012 37.703 38.460 -1.242 0.000 1.007 656 Y HN 0.517 nan 8.280 nan 0.000 0.542 657 A N 0.796 123.471 122.820 -0.243 0.000 2.119 657 A HA 0.107 4.297 4.320 -0.216 0.000 0.216 657 A C -0.010 177.728 177.584 0.256 0.000 1.152 657 A CA 0.284 52.248 52.037 -0.122 0.000 0.708 657 A CB -0.529 18.463 19.000 -0.012 0.000 0.805 657 A HN 0.345 nan 8.150 nan 0.000 0.460 658 F N 0.139 120.091 119.950 0.004 0.000 2.450 658 F HA 0.328 4.726 4.527 -0.214 0.000 0.332 658 F C 0.855 176.689 175.800 0.056 0.000 1.093 658 F CA -2.208 55.816 58.000 0.041 0.000 1.003 658 F CB 0.955 39.994 39.000 0.066 0.000 1.151 658 F HN 0.236 nan 8.300 nan 0.000 0.474 659 D N 0.588 121.132 120.400 0.240 0.000 2.363 659 D HA -0.014 4.497 4.640 -0.216 0.000 0.226 659 D C 1.538 177.908 176.300 0.116 0.000 1.020 659 D CA 0.587 54.688 54.000 0.169 0.000 0.892 659 D CB -0.350 40.551 40.800 0.169 0.000 0.900 659 D HN 0.460 nan 8.370 nan 0.000 0.531 660 A N 0.432 123.287 122.820 0.058 0.000 1.940 660 A HA -0.154 4.036 4.320 -0.216 0.000 0.219 660 A C 1.942 179.532 177.584 0.009 0.000 1.176 660 A CA 1.156 53.055 52.037 -0.230 0.000 0.631 660 A CB -1.244 17.539 19.000 -0.362 0.000 0.814 660 A HN 0.325 nan 8.150 nan 0.000 0.446 661 F N 1.971 121.937 119.950 0.028 0.000 2.216 661 F HA -0.179 4.215 4.527 -0.221 0.000 0.300 661 F C 2.667 178.542 175.800 0.126 0.000 1.085 661 F CA 2.216 60.259 58.000 0.072 0.000 1.326 661 F CB -0.433 38.590 39.000 0.040 0.000 1.027 661 F HN 0.366 nan 8.300 nan 0.000 0.497 662 T N -1.816 112.874 114.554 0.227 0.000 2.833 662 T HA -0.276 3.945 4.350 -0.216 0.000 0.269 662 T C 1.927 176.800 174.700 0.288 0.000 1.054 662 T CA 1.413 63.711 62.100 0.329 0.000 1.135 662 T CB -1.383 67.730 68.868 0.408 0.000 0.869 662 T HN 0.415 nan 8.240 nan 0.000 0.466 663 F N 2.887 122.866 119.950 0.047 0.000 2.051 663 F HA -0.077 4.322 4.527 -0.213 0.000 0.296 663 F C 1.953 177.729 175.800 -0.040 0.000 1.122 663 F CA 1.864 59.889 58.000 0.042 0.000 1.201 663 F CB -0.448 38.613 39.000 0.102 0.000 0.978 663 F HN 0.009 nan 8.300 nan 0.000 0.472 664 D N 0.359 120.729 120.400 -0.050 0.000 2.160 664 D HA -0.304 4.206 4.640 -0.216 0.000 0.189 664 D C 2.011 177.980 176.300 -0.551 0.000 1.003 664 D CA 2.180 56.041 54.000 -0.231 0.000 0.846 664 D CB -1.047 39.614 40.800 -0.231 0.000 0.949 664 D HN 0.400 nan 8.370 nan 0.000 0.446 665 F N -0.105 119.339 119.950 -0.845 0.000 2.128 665 F HA -0.179 4.213 4.527 -0.225 0.000 0.295 665 F C 2.218 177.615 175.800 -0.673 0.000 1.100 665 F CA 1.241 58.730 58.000 -0.852 0.000 1.260 665 F CB -0.424 37.931 39.000 -1.074 0.000 1.009 665 F HN -0.065 nan 8.300 nan 0.000 0.476 666 Y N -0.093 119.970 120.300 -0.395 0.000 2.314 666 Y HA 0.155 4.576 4.550 -0.214 0.000 0.294 666 Y C 2.529 178.128 175.900 -0.503 0.000 1.119 666 Y CA 0.884 58.753 58.100 -0.385 0.000 1.179 666 Y CB -1.194 37.219 38.460 -0.078 0.000 1.025 666 Y HN 0.126 nan 8.280 nan 0.000 0.541 667 A N -0.077 122.407 122.820 -0.560 0.000 1.972 667 A HA -0.186 4.005 4.320 -0.216 0.000 0.219 667 A C 2.369 179.357 177.584 -0.994 0.000 1.169 667 A CA 1.995 53.571 52.037 -0.768 0.000 0.635 667 A CB -0.973 17.240 19.000 -1.312 0.000 0.810 667 A HN 0.484 nan 8.150 nan 0.000 0.446 668 S N -0.863 114.015 115.700 -1.370 0.000 2.329 668 S HA -0.108 4.232 4.470 -0.216 0.000 0.215 668 S C 1.870 176.117 174.600 -0.590 0.000 1.031 668 S CA 1.654 59.064 58.200 -1.317 0.000 0.985 668 S CB -0.573 61.851 63.200 -1.293 0.000 0.917 668 S HN 0.280 nan 8.310 nan 0.000 0.441 669 M N 1.383 120.645 119.600 -0.564 0.000 2.358 669 M HA 0.277 4.627 4.480 -0.216 0.000 0.264 669 M C 1.333 177.582 176.300 -0.085 0.000 1.064 669 M CA 1.138 56.267 55.300 -0.285 0.000 1.093 669 M CB -0.617 31.604 32.600 -0.632 0.000 1.401 669 M HN 0.329 nan 8.290 nan 0.000 0.440 670 L N -1.137 119.987 121.223 -0.165 0.000 2.667 670 L HA 0.156 4.367 4.340 -0.216 0.000 0.232 670 L C 0.580 177.370 176.870 -0.134 0.000 1.138 670 L CA -0.078 54.717 54.840 -0.075 0.000 0.921 670 L CB -0.380 41.652 42.059 -0.044 0.000 1.180 670 L HN 0.164 nan 8.230 nan 0.000 0.487 671 N N 0.418 119.023 118.700 -0.159 0.000 2.197 671 N HA 0.261 4.871 4.740 -0.216 0.000 0.228 671 N C 0.828 176.277 175.510 -0.101 0.000 1.212 671 N CA 0.626 53.612 53.050 -0.105 0.000 0.883 671 N CB 1.227 39.701 38.487 -0.021 0.000 1.107 671 N HN 0.121 nan 8.380 nan 0.000 0.519 672 A N -0.617 122.115 122.820 -0.148 0.000 2.925 672 A HA -0.103 4.087 4.320 -0.216 0.000 0.265 672 A C 0.636 178.237 177.584 0.028 0.000 1.419 672 A CA 0.863 52.760 52.037 -0.232 0.000 0.807 672 A CB -2.000 16.808 19.000 -0.320 0.000 1.043 672 A HN 0.431 nan 8.150 nan 0.000 0.600 673 A N -0.390 122.478 122.820 0.079 0.000 2.248 673 A HA 0.772 4.963 4.320 -0.216 0.000 0.316 673 A C 0.648 178.307 177.584 0.126 0.000 1.101 673 A CA -0.486 51.622 52.037 0.119 0.000 0.875 673 A CB 0.470 19.546 19.000 0.126 0.000 1.207 673 A HN 0.609 nan 8.150 nan 0.000 0.504 674 R N -0.318 120.260 120.500 0.129 0.000 2.357 674 R HA 0.376 4.587 4.340 -0.216 0.000 0.296 674 R C -1.488 174.847 176.300 0.059 0.000 1.052 674 R CA -0.526 55.614 56.100 0.067 0.000 0.988 674 R CB 0.969 31.319 30.300 0.085 0.000 1.025 674 R HN 0.509 nan 8.270 nan 0.000 0.469 675 L N 5.076 126.285 121.223 -0.023 0.000 2.305 675 L HA 0.406 4.617 4.340 -0.216 0.000 0.284 675 L C -1.177 175.727 176.870 0.057 0.000 1.013 675 L CA -0.501 54.337 54.840 -0.003 0.000 0.819 675 L CB 1.287 43.280 42.059 -0.110 0.000 1.227 675 L HN 0.406 nan 8.230 nan 0.000 0.417 676 I N 6.626 127.263 120.570 0.111 0.000 2.321 676 I HA 0.336 4.377 4.170 -0.216 0.000 0.291 676 I C -0.300 175.906 176.117 0.148 0.000 0.998 676 I CA -0.344 61.024 61.300 0.114 0.000 1.227 676 I CB 1.226 39.286 38.000 0.101 0.000 1.368 676 I HN 0.332 nan 8.210 nan 0.000 0.466 677 I N 6.042 126.722 120.570 0.183 0.000 2.291 677 I HA 0.363 4.403 4.170 -0.216 0.000 0.292 677 I C 0.793 177.043 176.117 0.222 0.000 1.064 677 I CA -0.537 60.908 61.300 0.241 0.000 1.269 677 I CB 0.460 38.633 38.000 0.289 0.000 1.418 677 I HN 0.607 nan 8.210 nan 0.000 0.485 678 A N 5.737 128.650 122.820 0.156 0.000 2.462 678 A HA 0.213 4.404 4.320 -0.216 0.000 0.243 678 A C 0.328 177.978 177.584 0.109 0.000 1.076 678 A CA -0.451 51.638 52.037 0.087 0.000 0.773 678 A CB -0.106 18.944 19.000 0.085 0.000 1.010 678 A HN 0.816 nan 8.150 nan 0.000 0.493 679 D N 1.174 121.588 120.400 0.024 0.000 2.368 679 D HA 0.178 4.689 4.640 -0.216 0.000 0.240 679 D C 0.862 177.176 176.300 0.023 0.000 1.169 679 D CA -0.032 54.005 54.000 0.061 0.000 0.906 679 D CB 0.542 41.301 40.800 -0.069 0.000 1.187 679 D HN 0.549 nan 8.370 nan 0.000 0.435 680 E N -0.191 119.990 120.200 -0.031 0.000 2.147 680 E HA -0.287 3.934 4.350 -0.216 0.000 0.199 680 E C 1.265 177.912 176.600 0.078 0.000 1.005 680 E CA 1.623 58.000 56.400 -0.038 0.000 0.810 680 E CB -0.191 29.437 29.700 -0.121 0.000 0.736 680 E HN 0.563 nan 8.360 nan 0.000 0.460 681 H N -1.363 117.704 119.070 -0.005 0.000 2.555 681 H HA 0.142 4.570 4.556 -0.214 0.000 0.269 681 H C 1.460 176.780 175.328 -0.014 0.000 0.988 681 H CA 1.387 57.428 56.048 -0.011 0.000 1.178 681 H CB -0.015 29.739 29.762 -0.014 0.000 1.373 681 H HN 0.143 nan 8.280 nan 0.000 0.588 682 T N 0.737 115.354 114.554 0.104 0.000 3.057 682 T HA 0.093 4.313 4.350 -0.216 0.000 0.254 682 T C 2.291 177.015 174.700 0.040 0.000 1.094 682 T CA -0.148 61.983 62.100 0.051 0.000 1.088 682 T CB 0.239 69.124 68.868 0.028 0.000 0.934 682 T HN 0.173 nan 8.240 nan 0.000 0.497 683 L N 0.702 121.956 121.223 0.051 0.000 1.971 683 L HA -0.066 4.144 4.340 -0.216 0.000 0.215 683 L C 1.313 178.202 176.870 0.031 0.000 1.072 683 L CA 1.237 56.106 54.840 0.047 0.000 0.758 683 L CB -0.407 41.680 42.059 0.045 0.000 0.889 683 L HN 0.274 nan 8.230 nan 0.000 0.433 684 L N -0.135 121.102 121.223 0.023 0.000 2.984 684 L HA 0.249 4.459 4.340 -0.216 0.000 0.246 684 L C -0.183 176.673 176.870 -0.024 0.000 1.268 684 L CA 0.292 55.133 54.840 0.002 0.000 1.054 684 L CB -0.665 41.403 42.059 0.015 0.000 1.393 684 L HN 0.137 nan 8.230 nan 0.000 0.532 685 D N -0.186 120.197 120.400 -0.028 0.000 2.462 685 D HA 0.123 4.633 4.640 -0.216 0.000 0.245 685 D C 1.314 177.575 176.300 -0.065 0.000 1.122 685 D CA 0.001 53.977 54.000 -0.040 0.000 0.864 685 D CB 1.729 42.517 40.800 -0.020 0.000 1.098 685 D HN 0.185 nan 8.370 nan 0.000 0.541 686 T N 0.434 114.932 114.554 -0.094 0.000 3.023 686 T HA -0.082 4.138 4.350 -0.216 0.000 0.266 686 T C 1.338 175.973 174.700 -0.108 0.000 1.093 686 T CA 0.764 62.774 62.100 -0.151 0.000 1.129 686 T CB 0.137 68.886 68.868 -0.198 0.000 0.899 686 T HN 0.460 nan 8.240 nan 0.000 0.491 687 E N 1.065 121.227 120.200 -0.063 0.000 2.046 687 E HA -0.099 4.121 4.350 -0.216 0.000 0.190 687 E C 2.562 179.151 176.600 -0.019 0.000 0.982 687 E CA 0.432 56.812 56.400 -0.033 0.000 0.800 687 E CB -0.001 29.684 29.700 -0.024 0.000 0.756 687 E HN 0.469 nan 8.360 nan 0.000 0.449 688 R N 0.307 120.796 120.500 -0.020 0.000 2.073 688 R HA -0.114 4.096 4.340 -0.216 0.000 0.234 688 R C 2.656 178.954 176.300 -0.004 0.000 1.134 688 R CA 1.098 57.194 56.100 -0.008 0.000 0.952 688 R CB -0.430 29.869 30.300 -0.001 0.000 0.850 688 R HN 0.271 nan 8.270 nan 0.000 0.433 689 L N 0.129 121.340 121.223 -0.020 0.000 2.012 689 L HA -0.211 4.000 4.340 -0.216 0.000 0.210 689 L C 2.411 179.293 176.870 0.019 0.000 1.073 689 L CA 1.585 56.417 54.840 -0.014 0.000 0.748 689 L CB -0.649 41.368 42.059 -0.071 0.000 0.891 689 L HN 0.256 nan 8.230 nan 0.000 0.431 690 T N -1.124 113.436 114.554 0.011 0.000 2.788 690 T HA -0.170 4.050 4.350 -0.216 0.000 0.268 690 T C 1.404 176.152 174.700 0.080 0.000 1.044 690 T CA 1.435 63.588 62.100 0.088 0.000 1.139 690 T CB -0.220 68.700 68.868 0.086 0.000 0.867 690 T HN 0.329 nan 8.240 nan 0.000 0.454 691 D N 0.852 121.278 120.400 0.043 0.000 2.117 691 D HA -0.005 4.506 4.640 -0.216 0.000 0.198 691 D C 2.043 178.363 176.300 0.033 0.000 0.982 691 D CA 0.491 54.511 54.000 0.034 0.000 0.828 691 D CB -0.473 40.337 40.800 0.016 0.000 0.967 691 D HN 0.184 nan 8.370 nan 0.000 0.464 692 L N 0.918 122.159 121.223 0.030 0.000 2.017 692 L HA -0.092 4.118 4.340 -0.216 0.000 0.208 692 L C 2.164 179.064 176.870 0.050 0.000 1.073 692 L CA 1.262 56.119 54.840 0.028 0.000 0.745 692 L CB -0.523 41.549 42.059 0.023 0.000 0.894 692 L HN -0.029 nan 8.230 nan 0.000 0.432 693 I N -1.286 119.330 120.570 0.076 0.000 2.118 693 I HA -0.347 3.693 4.170 -0.216 0.000 0.241 693 I C 2.248 178.412 176.117 0.078 0.000 1.070 693 I CA 1.179 62.539 61.300 0.100 0.000 1.327 693 I CB -0.333 37.764 38.000 0.162 0.000 1.034 693 I HN 0.261 nan 8.210 nan 0.000 0.405 694 L N 0.451 121.717 121.223 0.072 0.000 2.017 694 L HA -0.240 3.970 4.340 -0.216 0.000 0.208 694 L C 2.655 179.547 176.870 0.036 0.000 1.073 694 L CA 1.907 56.778 54.840 0.051 0.000 0.745 694 L CB -1.242 40.846 42.059 0.048 0.000 0.894 694 L HN 0.449 nan 8.230 nan 0.000 0.432 695 Q N -1.437 118.382 119.800 0.031 0.000 2.378 695 Q HA -0.104 4.106 4.340 -0.216 0.000 0.205 695 Q C 0.932 176.945 176.000 0.023 0.000 0.954 695 Q CA 0.937 56.752 55.803 0.021 0.000 0.901 695 Q CB -0.065 28.680 28.738 0.012 0.000 0.981 695 Q HN 0.440 nan 8.270 nan 0.000 0.483 696 E N 1.023 121.241 120.200 0.031 0.000 2.498 696 E HA 0.082 4.302 4.350 -0.216 0.000 0.203 696 E C -0.508 176.117 176.600 0.042 0.000 1.013 696 E CA -0.233 56.188 56.400 0.035 0.000 0.927 696 E CB 0.128 29.852 29.700 0.039 0.000 1.012 696 E HN 0.462 nan 8.360 nan 0.000 0.482 697 N N 0.560 119.284 118.700 0.040 0.000 2.714 697 N HA -0.161 4.450 4.740 -0.216 0.000 0.253 697 N C -0.730 174.807 175.510 0.046 0.000 1.024 697 N CA -0.009 53.064 53.050 0.039 0.000 0.726 697 N CB -0.669 37.838 38.487 0.032 0.000 0.908 697 N HN -0.104 nan 8.380 nan 0.000 0.542 698 V N 1.313 121.261 119.914 0.056 0.000 2.637 698 V HA 0.049 4.039 4.120 -0.216 0.000 0.296 698 V C 1.358 177.475 176.094 0.038 0.000 1.046 698 V CA 0.505 62.841 62.300 0.060 0.000 1.066 698 V CB 1.390 33.263 31.823 0.084 0.000 0.968 698 V HN 0.608 nan 8.190 nan 0.000 0.483 699 N N 2.805 121.511 118.700 0.010 0.000 2.193 699 N HA 0.085 4.695 4.740 -0.216 0.000 0.210 699 N C -0.438 175.039 175.510 -0.055 0.000 1.215 699 N CA 0.099 53.143 53.050 -0.010 0.000 0.901 699 N CB 0.906 39.393 38.487 0.001 0.000 1.060 699 N HN 0.389 nan 8.380 nan 0.000 0.508 700 V N 1.339 121.157 119.914 -0.161 0.000 2.789 700 V HA 0.629 4.619 4.120 -0.216 0.000 0.311 700 V C -0.742 175.247 176.094 -0.174 0.000 1.073 700 V CA -0.681 61.450 62.300 -0.281 0.000 0.921 700 V CB 2.230 33.555 31.823 -0.830 0.000 1.009 700 V HN 0.283 nan 8.190 nan 0.000 0.426 701 M N 4.398 124.021 119.600 0.038 0.000 2.373 701 M HA 0.509 4.859 4.480 -0.216 0.000 0.290 701 M C -2.494 173.999 176.300 0.322 0.000 1.143 701 M CA -0.420 55.010 55.300 0.217 0.000 0.949 701 M CB 2.121 34.859 32.600 0.230 0.000 1.756 701 M HN 0.707 nan 8.290 nan 0.000 0.494 702 F N 3.836 123.970 119.950 0.307 0.000 2.405 702 F HA 0.795 5.193 4.527 -0.215 0.000 0.355 702 F C -0.549 175.399 175.800 0.247 0.000 1.121 702 F CA -0.168 57.982 58.000 0.250 0.000 1.112 702 F CB 0.908 40.072 39.000 0.273 0.000 1.126 702 F HN 0.619 nan 8.300 nan 0.000 0.481 703 A N 3.985 126.780 122.820 -0.041 0.000 2.365 703 A HA 0.581 4.771 4.320 -0.216 0.000 0.318 703 A C -0.111 177.488 177.584 0.025 0.000 1.091 703 A CA -0.353 51.781 52.037 0.161 0.000 0.763 703 A CB 0.712 19.813 19.000 0.169 0.000 1.248 703 A HN 0.829 nan 8.150 nan 0.000 0.442 704 T N -0.248 114.497 114.554 0.318 0.000 2.856 704 T HA 0.118 4.338 4.350 -0.216 0.000 0.329 704 T C 1.236 176.026 174.700 0.150 0.000 1.094 704 T CA 0.837 63.109 62.100 0.286 0.000 1.112 704 T CB -0.015 69.017 68.868 0.273 0.000 1.009 704 T HN 0.602 nan 8.240 nan 0.000 0.550 705 T N 1.875 116.508 114.554 0.131 0.000 2.746 705 T HA -0.044 4.177 4.350 -0.216 0.000 0.267 705 T C 2.426 177.179 174.700 0.089 0.000 1.039 705 T CA 1.308 63.469 62.100 0.102 0.000 1.142 705 T CB -0.808 68.113 68.868 0.089 0.000 0.866 705 T HN 0.827 nan 8.240 nan 0.000 0.444 706 A N 1.232 124.095 122.820 0.072 0.000 1.902 706 A HA 0.001 4.192 4.320 -0.216 0.000 0.217 706 A C 2.242 179.829 177.584 0.005 0.000 1.181 706 A CA 1.242 53.295 52.037 0.027 0.000 0.623 706 A CB -0.756 18.270 19.000 0.044 0.000 0.818 706 A HN 0.398 nan 8.150 nan 0.000 0.443 707 L N -1.404 119.845 121.223 0.043 0.000 2.027 707 L HA -0.042 4.168 4.340 -0.216 0.000 0.206 707 L C 2.198 179.019 176.870 -0.082 0.000 1.074 707 L CA 2.242 57.075 54.840 -0.013 0.000 0.745 707 L CB -0.891 41.189 42.059 0.035 0.000 0.898 707 L HN 0.451 nan 8.230 nan 0.000 0.433 708 F N 0.848 120.705 119.950 -0.155 0.000 2.063 708 F HA -0.347 4.050 4.527 -0.217 0.000 0.298 708 F C 2.216 177.897 175.800 -0.198 0.000 1.109 708 F CA 2.323 60.209 58.000 -0.190 0.000 1.212 708 F CB -0.541 38.311 39.000 -0.248 0.000 0.973 708 F HN 0.270 nan 8.300 nan 0.000 0.480 709 N N 0.750 119.350 118.700 -0.167 0.000 2.120 709 N HA -0.180 4.430 4.740 -0.216 0.000 0.188 709 N C 1.830 177.171 175.510 -0.281 0.000 1.024 709 N CA 1.467 54.265 53.050 -0.420 0.000 0.852 709 N CB -0.877 37.224 38.487 -0.642 0.000 1.003 709 N HN 0.347 nan 8.380 nan 0.000 0.424 710 L N 1.181 122.274 121.223 -0.217 0.000 1.989 710 L HA -0.061 4.149 4.340 -0.216 0.000 0.211 710 L C 2.104 178.830 176.870 -0.241 0.000 1.071 710 L CA 1.317 56.055 54.840 -0.170 0.000 0.749 710 L CB -0.769 41.209 42.059 -0.136 0.000 0.890 710 L HN 0.123 nan 8.230 nan 0.000 0.431 711 L N -1.293 119.679 121.223 -0.419 0.000 1.990 711 L HA -0.299 3.911 4.340 -0.216 0.000 0.213 711 L C 2.361 178.979 176.870 -0.420 0.000 1.072 711 L CA 2.077 56.482 54.840 -0.724 0.000 0.755 711 L CB -1.030 40.160 42.059 -1.448 0.000 0.889 711 L HN 0.312 nan 8.230 nan 0.000 0.432 712 T N -1.136 113.278 114.554 -0.233 0.000 2.737 712 T HA -0.211 4.009 4.350 -0.216 0.000 0.269 712 T C 1.382 176.123 174.700 0.068 0.000 1.040 712 T CA 1.555 63.685 62.100 0.050 0.000 1.142 712 T CB -0.248 68.511 68.868 -0.183 0.000 0.861 712 T HN 0.329 nan 8.240 nan 0.000 0.456 713 D N 0.527 120.946 120.400 0.032 0.000 2.323 713 D HA 0.176 4.687 4.640 -0.216 0.000 0.209 713 D C 2.120 178.425 176.300 0.008 0.000 0.973 713 D CA 0.552 54.573 54.000 0.035 0.000 0.874 713 D CB -0.027 40.813 40.800 0.066 0.000 0.930 713 D HN 0.432 nan 8.370 nan 0.000 0.521 714 A N 0.104 122.912 122.820 -0.020 0.000 1.984 714 A HA 0.464 4.655 4.320 -0.216 0.000 0.214 714 A C 1.245 178.849 177.584 0.034 0.000 1.173 714 A CA 1.235 53.257 52.037 -0.026 0.000 0.673 714 A CB 0.319 19.260 19.000 -0.099 0.000 0.830 714 A HN 0.281 nan 8.150 nan 0.000 0.453 715 G N -1.992 106.882 108.800 0.123 0.000 2.349 715 G HA2 0.442 4.273 3.960 -0.216 0.000 0.294 715 G HA3 0.442 4.273 3.960 -0.216 0.000 0.294 715 G C -0.606 174.482 174.900 0.314 0.000 1.380 715 G CA 0.005 45.217 45.100 0.187 0.000 0.811 715 G HN -0.049 nan 8.290 nan 0.000 0.519 716 E N -0.516 119.768 120.200 0.140 0.000 2.330 716 E HA 0.150 4.370 4.350 -0.216 0.000 0.200 716 E C 1.353 177.842 176.600 -0.185 0.000 0.922 716 E CA 0.272 56.636 56.400 -0.059 0.000 0.935 716 E CB 0.426 30.081 29.700 -0.075 0.000 0.917 716 E HN 0.356 nan 8.360 nan 0.000 0.491 717 D N 1.169 121.564 120.400 -0.008 0.000 2.133 717 D HA -0.196 4.315 4.640 -0.216 0.000 0.195 717 D C 1.620 177.901 176.300 -0.031 0.000 0.997 717 D CA 1.197 55.185 54.000 -0.020 0.000 0.840 717 D CB -0.433 40.394 40.800 0.046 0.000 0.947 717 D HN 0.415 nan 8.370 nan 0.000 0.452 718 W N 1.805 123.092 121.300 -0.022 0.000 2.331 718 W HA -0.214 4.316 4.660 -0.217 0.000 0.291 718 W C 1.696 178.208 176.519 -0.010 0.000 1.214 718 W CA 1.170 58.506 57.345 -0.015 0.000 1.228 718 W CB -1.134 28.314 29.460 -0.021 0.000 1.135 718 W HN 0.122 nan 8.180 nan 0.000 0.537 719 M N -0.252 118.701 119.600 -1.078 0.000 2.501 719 M HA 0.287 4.637 4.480 -0.216 0.000 0.261 719 M C 1.846 177.864 176.300 -0.469 0.000 1.129 719 M CA 0.932 55.602 55.300 -1.050 0.000 1.126 719 M CB -0.487 31.152 32.600 -1.602 0.000 1.359 719 M HN -0.255 nan 8.290 nan 0.000 0.471 720 K N 1.693 121.886 120.400 -0.346 0.000 2.152 720 K HA -0.015 4.176 4.320 -0.216 0.000 0.206 720 K C 1.821 178.346 176.600 -0.125 0.000 1.048 720 K CA 1.585 57.753 56.287 -0.198 0.000 0.933 720 K CB -0.279 32.134 32.500 -0.145 0.000 0.721 720 K HN 0.581 nan 8.250 nan 0.000 0.447 721 G N -0.656 108.085 108.800 -0.099 0.000 3.233 721 G HA2 0.122 3.953 3.960 -0.216 0.000 0.234 721 G HA3 0.122 3.953 3.960 -0.216 0.000 0.234 721 G C -0.401 174.474 174.900 -0.041 0.000 1.137 721 G CA -0.304 44.765 45.100 -0.052 0.000 0.763 721 G HN -0.056 nan 8.290 nan 0.000 0.549 722 L N 0.760 121.942 121.223 -0.068 0.000 2.312 722 L HA 0.423 4.633 4.340 -0.216 0.000 0.281 722 L C 1.636 178.484 176.870 -0.037 0.000 1.070 722 L CA -0.542 54.276 54.840 -0.038 0.000 0.805 722 L CB 1.674 43.713 42.059 -0.035 0.000 1.174 722 L HN 0.364 nan 8.230 nan 0.000 0.434 723 R N 1.579 122.069 120.500 -0.015 0.000 2.223 723 R HA 0.208 4.419 4.340 -0.216 0.000 0.198 723 R C 0.111 176.412 176.300 0.001 0.000 0.984 723 R CA 0.065 56.158 56.100 -0.012 0.000 1.018 723 R CB 0.149 30.446 30.300 -0.005 0.000 0.945 723 R HN 0.472 nan 8.270 nan 0.000 0.479 724 C N 1.007 120.323 119.300 0.027 0.000 2.752 724 C HA 0.607 4.938 4.460 -0.216 0.000 0.360 724 C C -1.759 173.291 174.990 0.100 0.000 1.081 724 C CA -1.035 58.023 59.018 0.067 0.000 1.272 724 C CB 1.319 29.136 27.740 0.129 0.000 1.754 724 C HN 0.514 nan 8.230 nan 0.000 0.483 725 I N 7.623 128.264 120.570 0.119 0.000 2.468 725 I HA 0.554 4.595 4.170 -0.216 0.000 0.284 725 I C -1.021 175.179 176.117 0.138 0.000 1.038 725 I CA -0.777 60.632 61.300 0.181 0.000 1.083 725 I CB 1.151 39.314 38.000 0.270 0.000 1.223 725 I HN 0.583 nan 8.210 nan 0.000 0.443 726 L N 8.019 129.254 121.223 0.020 0.000 2.357 726 L HA 0.575 4.786 4.340 -0.216 0.000 0.273 726 L C -0.517 176.071 176.870 -0.470 0.000 1.080 726 L CA -0.515 54.151 54.840 -0.290 0.000 0.803 726 L CB 0.827 42.708 42.059 -0.297 0.000 1.174 726 L HN 0.676 nan 8.230 nan 0.000 0.443 727 F N -0.603 118.900 119.950 -0.744 0.000 2.693 727 F HA 0.889 5.287 4.527 -0.216 0.000 0.309 727 F C -0.200 175.244 175.800 -0.593 0.000 1.129 727 F CA -0.650 56.822 58.000 -0.880 0.000 0.948 727 F CB 1.767 40.345 39.000 -0.704 0.000 1.315 727 F HN 0.639 nan 8.300 nan 0.000 0.447 728 G N -0.755 107.905 108.800 -0.233 0.000 2.340 728 G HA2 0.568 4.399 3.960 -0.216 0.000 0.299 728 G HA3 0.568 4.399 3.960 -0.216 0.000 0.299 728 G C -0.013 174.957 174.900 0.118 0.000 1.291 728 G CA -0.243 44.826 45.100 -0.052 0.000 0.841 728 G HN 2.093 nan 8.290 nan 0.000 0.500 729 G N -1.239 107.618 108.800 0.095 0.000 2.313 729 G HA2 -0.117 3.714 3.960 -0.216 0.000 0.215 729 G HA3 -0.117 3.714 3.960 -0.216 0.000 0.215 729 G C 0.213 175.137 174.900 0.040 0.000 1.023 729 G CA 1.063 46.219 45.100 0.093 0.000 0.626 729 G HN 0.956 nan 8.290 nan 0.000 0.503 730 E N -0.815 119.403 120.200 0.029 0.000 2.446 730 E HA 0.562 4.782 4.350 -0.216 0.000 0.269 730 E C -0.527 176.064 176.600 -0.016 0.000 0.977 730 E CA -1.154 55.251 56.400 0.009 0.000 0.854 730 E CB 1.509 31.233 29.700 0.041 0.000 1.545 730 E HN 0.166 nan 8.360 nan 0.000 0.448 731 R N 0.748 121.249 120.500 0.001 0.000 2.401 731 R HA 0.295 4.505 4.340 -0.216 0.000 0.299 731 R C -0.411 175.918 176.300 0.049 0.000 1.064 731 R CA -0.052 56.054 56.100 0.011 0.000 1.000 731 R CB 0.510 30.848 30.300 0.063 0.000 0.973 731 R HN 0.539 nan 8.270 nan 0.000 0.438 732 A N 3.197 126.057 122.820 0.067 0.000 2.587 732 A HA -0.054 4.136 4.320 -0.216 0.000 0.235 732 A C 0.269 177.912 177.584 0.099 0.000 1.044 732 A CA 0.467 52.571 52.037 0.111 0.000 0.754 732 A CB 0.342 19.445 19.000 0.173 0.000 0.968 732 A HN 0.652 nan 8.150 nan 0.000 0.509 733 S N 2.583 118.348 115.700 0.108 0.000 2.399 733 S HA 0.290 4.630 4.470 -0.216 0.000 0.301 733 S C 1.212 175.938 174.600 0.210 0.000 1.093 733 S CA -0.528 57.776 58.200 0.174 0.000 1.077 733 S CB 0.195 63.531 63.200 0.228 0.000 0.980 733 S HN 0.616 nan 8.310 nan 0.000 0.494 734 V N 8.079 128.085 119.914 0.153 0.000 2.287 734 V HA -0.087 3.903 4.120 -0.216 0.000 0.248 734 V C -0.692 175.474 176.094 0.120 0.000 1.053 734 V CA 1.699 64.075 62.300 0.127 0.000 1.027 734 V CB -1.538 30.338 31.823 0.089 0.000 0.646 734 V HN 0.650 nan 8.190 nan 0.000 0.447 735 P HA -0.159 nan 4.420 nan 0.000 0.216 735 P C 1.243 178.527 177.300 -0.027 0.000 1.150 735 P CA 1.714 64.815 63.100 0.002 0.000 0.843 735 P CB -0.094 31.564 31.700 -0.070 0.000 0.787 736 H N -1.527 117.580 119.070 0.062 0.000 2.333 736 H HA -0.036 4.390 4.556 -0.216 0.000 0.302 736 H C 1.924 177.323 175.328 0.118 0.000 1.075 736 H CA 1.022 57.103 56.048 0.055 0.000 1.348 736 H CB -1.046 28.758 29.762 0.070 0.000 1.393 736 H HN -0.166 nan 8.280 nan 0.000 0.509 737 V N 0.950 121.057 119.914 0.322 0.000 2.332 737 V HA -0.302 3.689 4.120 -0.216 0.000 0.248 737 V C 2.456 178.644 176.094 0.157 0.000 1.055 737 V CA 2.189 64.641 62.300 0.252 0.000 1.038 737 V CB -0.498 31.426 31.823 0.168 0.000 0.651 737 V HN 0.372 nan 8.190 nan 0.000 0.450 738 R N 0.347 120.912 120.500 0.108 0.000 2.105 738 R HA -0.207 4.003 4.340 -0.216 0.000 0.239 738 R C 2.406 178.726 176.300 0.033 0.000 1.135 738 R CA 1.908 58.045 56.100 0.061 0.000 0.967 738 R CB -0.284 30.040 30.300 0.040 0.000 0.861 738 R HN 0.441 nan 8.270 nan 0.000 0.442 739 K N -0.118 120.295 120.400 0.022 0.000 2.057 739 K HA -0.086 4.104 4.320 -0.216 0.000 0.206 739 K C 1.956 178.551 176.600 -0.008 0.000 1.050 739 K CA 1.274 57.555 56.287 -0.011 0.000 0.935 739 K CB -0.131 32.344 32.500 -0.041 0.000 0.715 739 K HN 0.284 nan 8.250 nan 0.000 0.439 740 A N 1.610 124.449 122.820 0.031 0.000 1.858 740 A HA -0.179 4.012 4.320 -0.216 0.000 0.216 740 A C 2.066 179.653 177.584 0.004 0.000 1.190 740 A CA 1.336 53.382 52.037 0.016 0.000 0.617 740 A CB -0.750 18.349 19.000 0.166 0.000 0.827 740 A HN 0.358 nan 8.150 nan 0.000 0.443 741 L N 0.201 121.449 121.223 0.042 0.000 2.021 741 L HA -0.235 3.975 4.340 -0.216 0.000 0.215 741 L C 2.462 179.326 176.870 -0.010 0.000 1.074 741 L CA 2.210 57.060 54.840 0.018 0.000 0.760 741 L CB -0.545 41.535 42.059 0.034 0.000 0.889 741 L HN 0.354 nan 8.230 nan 0.000 0.433 742 R N -0.733 119.759 120.500 -0.013 0.000 2.148 742 R HA -0.074 4.137 4.340 -0.216 0.000 0.227 742 R C 1.981 178.255 176.300 -0.043 0.000 1.103 742 R CA 1.238 57.324 56.100 -0.024 0.000 0.983 742 R CB -0.371 29.916 30.300 -0.023 0.000 0.874 742 R HN 0.413 nan 8.270 nan 0.000 0.451 743 I N 0.010 120.542 120.570 -0.063 0.000 2.480 743 I HA -0.064 3.977 4.170 -0.216 0.000 0.251 743 I C 2.131 178.191 176.117 -0.095 0.000 1.124 743 I CA 1.197 62.443 61.300 -0.091 0.000 1.444 743 I CB -0.561 37.357 38.000 -0.137 0.000 1.098 743 I HN 0.113 nan 8.210 nan 0.000 0.428 744 M N -0.564 118.983 119.600 -0.088 0.000 2.545 744 M HA 0.285 4.636 4.480 -0.216 0.000 0.264 744 M C 0.989 177.253 176.300 -0.060 0.000 1.155 744 M CA 0.593 55.840 55.300 -0.088 0.000 1.162 744 M CB 0.542 33.087 32.600 -0.091 0.000 1.330 744 M HN 0.315 nan 8.290 nan 0.000 0.479 745 G N 1.557 110.329 108.800 -0.046 0.000 2.756 745 G HA2 -0.126 3.705 3.960 -0.216 0.000 0.678 745 G HA3 -0.126 3.705 3.960 -0.216 0.000 0.678 745 G C -3.049 171.823 174.900 -0.047 0.000 1.349 745 G CA -1.137 43.942 45.100 -0.035 0.000 0.847 745 G HN 0.139 nan 8.290 nan 0.000 0.548 746 P HA 0.467 nan 4.420 nan 0.000 0.276 746 P C 0.967 178.162 177.300 -0.175 0.000 1.244 746 P CA 1.437 64.478 63.100 -0.098 0.000 0.801 746 P CB 1.041 32.758 31.700 0.028 0.000 1.006 747 G N 1.087 109.591 108.800 -0.493 0.000 2.159 747 G HA2 -0.251 3.579 3.960 -0.216 0.000 0.256 747 G HA3 -0.251 3.579 3.960 -0.216 0.000 0.256 747 G C 0.850 175.622 174.900 -0.214 0.000 0.977 747 G CA 0.656 45.498 45.100 -0.430 0.000 0.652 747 G HN 0.522 nan 8.290 nan 0.000 0.531 748 K N -1.055 119.241 120.400 -0.173 0.000 2.312 748 K HA 0.437 4.627 4.320 -0.216 0.000 0.206 748 K C 1.038 177.622 176.600 -0.027 0.000 1.121 748 K CA 0.194 56.438 56.287 -0.073 0.000 0.923 748 K CB 0.007 32.476 32.500 -0.052 0.000 1.162 748 K HN 0.224 nan 8.250 nan 0.000 0.478 749 L N 2.356 123.571 121.223 -0.013 0.000 2.367 749 L HA 0.309 4.520 4.340 -0.216 0.000 0.275 749 L C -0.156 176.691 176.870 -0.039 0.000 1.129 749 L CA 0.315 55.213 54.840 0.097 0.000 0.839 749 L CB 0.143 42.323 42.059 0.201 0.000 1.133 749 L HN 0.171 nan 8.230 nan 0.000 0.453 750 I N 3.651 124.133 120.570 -0.145 0.000 2.436 750 I HA 0.299 4.339 4.170 -0.216 0.000 0.289 750 I C 0.265 175.793 176.117 -0.982 0.000 1.010 750 I CA -0.405 60.663 61.300 -0.388 0.000 1.098 750 I CB 1.967 39.816 38.000 -0.252 0.000 1.266 750 I HN 0.582 nan 8.210 nan 0.000 0.434 751 N N 5.691 123.855 118.700 -0.894 0.000 2.434 751 N HA 0.450 5.060 4.740 -0.216 0.000 0.272 751 N C -1.367 173.751 175.510 -0.654 0.000 1.040 751 N CA -0.367 52.037 53.050 -1.076 0.000 0.956 751 N CB 1.074 39.246 38.487 -0.525 0.000 1.108 751 N HN 0.568 nan 8.380 nan 0.000 0.481 752 C N 3.356 122.263 119.300 -0.654 0.000 2.498 752 C HA 0.472 4.802 4.460 -0.216 0.000 0.316 752 C C -0.702 174.178 174.990 -0.183 0.000 1.209 752 C CA -0.945 57.737 59.018 -0.560 0.000 1.518 752 C CB -0.056 27.126 27.740 -0.931 0.000 2.147 752 C HN 0.761 nan 8.230 nan 0.000 0.483 753 Y N 1.091 121.296 120.300 -0.158 0.000 2.477 753 Y HA 0.810 5.231 4.550 -0.215 0.000 0.347 753 Y C -0.133 175.815 175.900 0.080 0.000 0.981 753 Y CA 0.044 58.108 58.100 -0.059 0.000 1.033 753 Y CB 1.976 40.367 38.460 -0.115 0.000 1.245 753 Y HN 1.008 nan 8.280 nan 0.000 0.455 754 G N 5.890 114.188 108.800 -0.837 0.000 2.503 754 G HA2 0.362 4.192 3.960 -0.216 0.000 0.305 754 G HA3 0.362 4.192 3.960 -0.216 0.000 0.305 754 G C -3.519 171.106 174.900 -0.458 0.000 1.575 754 G CA -1.156 43.566 45.100 -0.629 0.000 0.890 754 G HN 0.474 nan 8.290 nan 0.000 0.612 755 P HA 0.282 nan 4.420 nan 0.000 0.276 755 P C 1.073 178.281 177.300 -0.155 0.000 1.244 755 P CA -0.138 62.866 63.100 -0.160 0.000 0.801 755 P CB 1.299 32.987 31.700 -0.020 0.000 1.006 756 T N 0.945 115.441 114.554 -0.097 0.000 2.665 756 T HA -0.184 4.036 4.350 -0.216 0.000 0.268 756 T C 1.314 175.925 174.700 -0.149 0.000 1.035 756 T CA 1.969 64.028 62.100 -0.069 0.000 1.151 756 T CB -0.535 68.331 68.868 -0.003 0.000 0.862 756 T HN 0.541 nan 8.240 nan 0.000 0.438 757 E N 0.325 120.348 120.200 -0.296 0.000 2.401 757 E HA 0.046 4.266 4.350 -0.216 0.000 0.199 757 E C 1.941 178.283 176.600 -0.429 0.000 1.023 757 E CA 0.676 56.796 56.400 -0.467 0.000 0.859 757 E CB -0.307 28.698 29.700 -1.157 0.000 0.780 757 E HN 0.534 nan 8.360 nan 0.000 0.523 758 G N -0.422 108.181 108.800 -0.328 0.000 3.233 758 G HA2 0.026 3.857 3.960 -0.216 0.000 0.234 758 G HA3 0.026 3.857 3.960 -0.216 0.000 0.234 758 G C -0.379 174.441 174.900 -0.133 0.000 1.137 758 G CA 0.015 45.007 45.100 -0.180 0.000 0.763 758 G HN 0.066 nan 8.290 nan 0.000 0.549 759 T N -0.001 114.474 114.554 -0.132 0.000 2.995 759 T HA -0.200 4.020 4.350 -0.216 0.000 0.456 759 T C 1.187 175.807 174.700 -0.132 0.000 0.777 759 T CA 0.423 62.463 62.100 -0.100 0.000 2.404 759 T CB -1.607 67.197 68.868 -0.108 0.000 1.682 759 T HN 1.132 nan 8.240 nan 0.000 0.624 760 V N -0.902 118.963 119.914 -0.082 0.000 0.631 760 V HA -0.326 3.664 4.120 -0.216 0.000 0.092 760 V C 0.424 176.501 176.094 -0.027 0.000 1.502 760 V CA 2.195 64.448 62.300 -0.078 0.000 3.284 760 V CB -1.633 30.116 31.823 -0.123 0.000 0.547 760 V HN 1.774 nan 8.190 nan 0.000 0.554 761 F N -1.255 118.654 119.950 -0.068 0.000 2.608 761 F HA 0.947 5.345 4.527 -0.216 0.000 0.309 761 F C 0.105 175.851 175.800 -0.091 0.000 1.103 761 F CA -0.503 57.426 58.000 -0.118 0.000 0.954 761 F CB 1.464 40.396 39.000 -0.113 0.000 1.267 761 F HN 0.275 nan 8.300 nan 0.000 0.444 762 A N 1.117 124.012 122.820 0.126 0.000 2.220 762 A HA 0.464 4.654 4.320 -0.216 0.000 0.211 762 A C 0.684 178.383 177.584 0.192 0.000 1.176 762 A CA 0.996 53.105 52.037 0.120 0.000 0.834 762 A CB -0.470 18.588 19.000 0.096 0.000 0.868 762 A HN 1.071 nan 8.150 nan 0.000 0.488 763 T N -4.112 110.592 114.554 0.250 0.000 2.864 763 T HA 0.738 4.959 4.350 -0.216 0.000 0.299 763 T C -0.917 173.797 174.700 0.024 0.000 1.166 763 T CA -0.135 62.057 62.100 0.154 0.000 1.007 763 T CB 1.724 70.675 68.868 0.138 0.000 1.219 763 T HN 1.271 nan 8.240 nan 0.000 0.506 764 A N 1.351 124.145 122.820 -0.044 0.000 2.488 764 A HA 0.653 4.844 4.320 -0.216 0.000 0.295 764 A C -1.581 175.991 177.584 -0.020 0.000 1.045 764 A CA -0.725 51.200 52.037 -0.187 0.000 0.703 764 A CB 1.131 19.926 19.000 -0.342 0.000 1.271 764 A HN 1.160 nan 8.150 nan 0.000 0.400 765 H N 1.718 120.683 119.070 -0.175 0.000 2.685 765 H HA 0.562 4.988 4.556 -0.216 0.000 0.307 765 H C -1.024 174.244 175.328 -0.100 0.000 1.017 765 H CA -0.314 55.679 56.048 -0.091 0.000 1.237 765 H CB 1.104 30.812 29.762 -0.090 0.000 1.409 765 H HN 0.391 nan 8.280 nan 0.000 0.488 766 V N 6.869 126.599 119.914 -0.307 0.000 2.427 766 V HA 0.091 4.081 4.120 -0.216 0.000 0.268 766 V C 0.115 175.916 176.094 -0.489 0.000 1.046 766 V CA -0.645 61.479 62.300 -0.293 0.000 0.970 766 V CB 0.791 32.557 31.823 -0.096 0.000 1.001 766 V HN 0.558 nan 8.190 nan 0.000 0.476 767 V N 5.698 125.367 119.914 -0.409 0.000 2.521 767 V HA 0.185 4.176 4.120 -0.216 0.000 0.286 767 V C 0.528 176.394 176.094 -0.379 0.000 1.034 767 V CA 0.300 62.425 62.300 -0.292 0.000 1.045 767 V CB 0.164 31.946 31.823 -0.069 0.000 0.974 767 V HN 0.997 nan 8.190 nan 0.000 0.480 768 H N 0.373 119.399 119.070 -0.074 0.000 2.027 768 H HA 0.227 4.653 4.556 -0.216 0.000 0.209 768 H C 0.159 175.490 175.328 0.005 0.000 0.903 768 H CA -0.076 55.954 56.048 -0.030 0.000 1.078 768 H CB 0.357 30.099 29.762 -0.034 0.000 1.248 768 H HN 0.580 nan 8.280 nan 0.000 0.432 769 D N 1.591 122.092 120.400 0.168 0.000 2.312 769 D HA 0.181 4.692 4.640 -0.216 0.000 0.248 769 D C -0.360 176.005 176.300 0.107 0.000 1.086 769 D CA -0.046 54.022 54.000 0.114 0.000 0.948 769 D CB 2.124 42.989 40.800 0.108 0.000 1.162 769 D HN 0.032 nan 8.370 nan 0.000 0.446 770 L N 2.592 123.865 121.223 0.083 0.000 2.470 770 L HA 0.249 4.460 4.340 -0.216 0.000 0.256 770 L C -2.630 174.277 176.870 0.062 0.000 1.357 770 L CA -1.383 53.506 54.840 0.082 0.000 0.902 770 L CB 1.062 43.166 42.059 0.074 0.000 1.121 770 L HN 0.036 nan 8.230 nan 0.000 0.507 771 P HA 0.087 nan 4.420 nan 0.000 0.261 771 P C 0.493 177.815 177.300 0.038 0.000 1.183 771 P CA 0.053 63.181 63.100 0.046 0.000 0.761 771 P CB 0.762 32.489 31.700 0.045 0.000 0.785 772 D N 0.930 121.348 120.400 0.029 0.000 2.191 772 D HA -0.145 4.365 4.640 -0.216 0.000 0.195 772 D C 0.682 176.996 176.300 0.022 0.000 1.003 772 D CA 1.592 55.606 54.000 0.023 0.000 0.867 772 D CB -0.374 40.437 40.800 0.017 0.000 0.926 772 D HN 0.393 nan 8.370 nan 0.000 0.450 773 S N 0.294 116.008 115.700 0.022 0.000 3.965 773 S HA 0.262 4.602 4.470 -0.216 0.000 0.195 773 S C 0.156 174.770 174.600 0.024 0.000 1.449 773 S CA -0.614 57.598 58.200 0.020 0.000 0.965 773 S CB -0.089 63.121 63.200 0.016 0.000 1.459 773 S HN 0.019 nan 8.310 nan 0.000 0.476 774 I N 2.405 122.992 120.570 0.028 0.000 2.382 774 I HA 0.284 4.325 4.170 -0.216 0.000 0.285 774 I C 0.728 176.863 176.117 0.030 0.000 1.007 774 I CA -0.118 61.201 61.300 0.032 0.000 1.142 774 I CB 1.554 39.581 38.000 0.044 0.000 1.289 774 I HN 0.438 nan 8.210 nan 0.000 0.453 775 S N 4.382 120.097 115.700 0.025 0.000 2.354 775 S HA -0.005 4.336 4.470 -0.216 0.000 0.200 775 S C 0.788 175.407 174.600 0.032 0.000 1.055 775 S CA 0.556 58.772 58.200 0.027 0.000 1.077 775 S CB 0.097 63.311 63.200 0.023 0.000 0.992 775 S HN 0.783 nan 8.310 nan 0.000 0.423 776 S N 1.151 116.866 115.700 0.024 0.000 2.509 776 S HA 0.586 4.927 4.470 -0.216 0.000 0.297 776 S C -0.712 173.894 174.600 0.010 0.000 1.118 776 S CA -0.846 57.372 58.200 0.029 0.000 1.074 776 S CB 1.133 64.353 63.200 0.032 0.000 1.038 776 S HN 0.242 nan 8.310 nan 0.000 0.498 777 L N 3.851 125.086 121.223 0.020 0.000 2.410 777 L HA 0.472 4.682 4.340 -0.216 0.000 0.273 777 L C -2.323 174.489 176.870 -0.095 0.000 1.144 777 L CA -1.377 53.461 54.840 -0.003 0.000 0.863 777 L CB -0.111 41.989 42.059 0.068 0.000 1.140 777 L HN 0.548 nan 8.230 nan 0.000 0.463 778 P HA 0.054 nan 4.420 nan 0.000 0.269 778 P C 0.572 177.689 177.300 -0.304 0.000 1.217 778 P CA 0.178 63.070 63.100 -0.347 0.000 0.783 778 P CB 0.363 31.689 31.700 -0.622 0.000 0.898 779 I N -1.993 118.445 120.570 -0.220 0.000 3.875 779 I HA 0.341 4.381 4.170 -0.216 0.000 0.329 779 I C 1.008 177.076 176.117 -0.082 0.000 1.295 779 I CA 0.014 61.220 61.300 -0.157 0.000 1.129 779 I CB -0.786 37.091 38.000 -0.205 0.000 1.008 779 I HN 0.524 nan 8.210 nan 0.000 0.413 780 G N 2.326 111.068 108.800 -0.097 0.000 2.498 780 G HA2 -0.205 3.625 3.960 -0.216 0.000 0.251 780 G HA3 -0.205 3.625 3.960 -0.216 0.000 0.251 780 G C -0.471 174.493 174.900 0.107 0.000 1.170 780 G CA -0.120 45.035 45.100 0.091 0.000 0.944 780 G HN 0.454 nan 8.290 nan 0.000 0.567 781 K N 1.398 121.888 120.400 0.150 0.000 2.328 781 K HA 0.591 4.782 4.320 -0.216 0.000 0.246 781 K C -2.726 173.959 176.600 0.141 0.000 0.955 781 K CA -1.780 54.615 56.287 0.180 0.000 0.817 781 K CB 2.538 35.152 32.500 0.189 0.000 1.208 781 K HN 0.359 nan 8.250 nan 0.000 0.432 782 P HA -0.040 nan 4.420 nan 0.000 0.267 782 P C -0.166 177.211 177.300 0.128 0.000 1.200 782 P CA -0.219 62.956 63.100 0.125 0.000 0.772 782 P CB 0.093 31.860 31.700 0.112 0.000 0.855 783 I N -0.877 119.769 120.570 0.127 0.000 3.138 783 I HA 0.121 4.161 4.170 -0.216 0.000 0.288 783 I C 1.315 177.530 176.117 0.163 0.000 1.148 783 I CA 0.230 61.625 61.300 0.158 0.000 1.315 783 I CB -0.497 37.585 38.000 0.137 0.000 1.426 783 I HN 0.155 nan 8.210 nan 0.000 0.615 784 S N 1.134 116.958 115.700 0.207 0.000 2.419 784 S HA -0.082 4.259 4.470 -0.216 0.000 0.233 784 S C 1.190 175.881 174.600 0.152 0.000 1.016 784 S CA 1.302 59.608 58.200 0.177 0.000 0.974 784 S CB -0.662 62.658 63.200 0.201 0.000 0.786 784 S HN 0.792 nan 8.310 nan 0.000 0.492 785 N N 1.071 119.860 118.700 0.148 0.000 2.270 785 N HA 0.319 4.929 4.740 -0.216 0.000 0.198 785 N C -0.006 175.562 175.510 0.096 0.000 1.117 785 N CA 0.113 53.237 53.050 0.124 0.000 0.845 785 N CB 0.382 38.946 38.487 0.128 0.000 0.980 785 N HN 0.313 nan 8.380 nan 0.000 0.486 786 A N -0.330 122.545 122.820 0.091 0.000 2.322 786 A HA 0.728 4.918 4.320 -0.216 0.000 0.327 786 A C -0.181 177.437 177.584 0.057 0.000 1.134 786 A CA -0.424 51.659 52.037 0.077 0.000 0.831 786 A CB 1.565 20.609 19.000 0.072 0.000 1.288 786 A HN 0.010 nan 8.150 nan 0.000 0.472 787 S N -1.012 114.710 115.700 0.036 0.000 2.568 787 S HA 0.730 5.070 4.470 -0.216 0.000 0.293 787 S C -1.206 173.283 174.600 -0.186 0.000 1.089 787 S CA -0.373 57.773 58.200 -0.091 0.000 0.945 787 S CB 1.501 64.665 63.200 -0.060 0.000 1.077 787 S HN 0.830 nan 8.310 nan 0.000 0.485 788 V N 3.371 123.064 119.914 -0.367 0.000 2.789 788 V HA 0.593 4.583 4.120 -0.216 0.000 0.311 788 V C -1.870 173.932 176.094 -0.487 0.000 1.073 788 V CA -0.600 61.528 62.300 -0.288 0.000 0.921 788 V CB 1.720 33.476 31.823 -0.112 0.000 1.009 788 V HN 0.903 nan 8.190 nan 0.000 0.426 789 Y N 3.687 124.042 120.300 0.091 0.000 2.386 789 Y HA 0.599 5.019 4.550 -0.216 0.000 0.334 789 Y C -0.301 175.606 175.900 0.011 0.000 1.002 789 Y CA -1.042 57.094 58.100 0.060 0.000 1.068 789 Y CB 1.735 40.200 38.460 0.008 0.000 1.203 789 Y HN 0.317 nan 8.280 nan 0.000 0.443 790 I N 5.751 126.412 120.570 0.151 0.000 2.291 790 I HA 0.344 4.384 4.170 -0.216 0.000 0.290 790 I C -0.429 175.729 176.117 0.067 0.000 1.050 790 I CA -0.433 60.882 61.300 0.025 0.000 1.245 790 I CB -0.006 37.953 38.000 -0.068 0.000 1.405 790 I HN 0.562 nan 8.210 nan 0.000 0.478 791 L N 5.912 127.168 121.223 0.056 0.000 2.323 791 L HA 0.519 4.729 4.340 -0.216 0.000 0.265 791 L C 0.391 177.275 176.870 0.024 0.000 1.012 791 L CA -1.022 53.859 54.840 0.068 0.000 0.820 791 L CB 1.950 44.079 42.059 0.118 0.000 1.334 791 L HN 0.532 nan 8.230 nan 0.000 0.427 792 N N 0.210 118.924 118.700 0.024 0.000 2.366 792 N HA 0.031 4.642 4.740 -0.216 0.000 0.277 792 N C 0.375 175.889 175.510 0.006 0.000 1.275 792 N CA -0.309 52.744 53.050 0.005 0.000 0.964 792 N CB 0.423 38.912 38.487 0.004 0.000 1.167 792 N HN 0.555 nan 8.380 nan 0.000 0.568 793 E N -1.202 118.996 120.200 -0.002 0.000 2.268 793 E HA -0.118 4.103 4.350 -0.216 0.000 0.195 793 E C 0.565 177.163 176.600 -0.004 0.000 0.995 793 E CA 1.157 57.553 56.400 -0.007 0.000 0.836 793 E CB -0.136 29.559 29.700 -0.008 0.000 0.763 793 E HN 0.562 nan 8.360 nan 0.000 0.491 794 Q N -0.473 119.330 119.800 0.005 0.000 2.189 794 Q HA 0.262 4.472 4.340 -0.216 0.000 0.221 794 Q C -0.526 175.479 176.000 0.008 0.000 0.848 794 Q CA -0.012 55.793 55.803 0.003 0.000 1.007 794 Q CB 0.385 29.128 28.738 0.008 0.000 1.116 794 Q HN 0.104 nan 8.270 nan 0.000 0.481 795 S N -0.390 115.324 115.700 0.023 0.000 3.593 795 S HA -0.152 4.188 4.470 -0.216 0.000 0.301 795 S C -0.157 174.517 174.600 0.124 0.000 1.209 795 S CA 0.474 58.708 58.200 0.056 0.000 0.878 795 S CB -1.054 62.134 63.200 -0.021 0.000 1.000 795 S HN 0.392 nan 8.310 nan 0.000 0.578 796 Q N 0.525 120.382 119.800 0.096 0.000 2.243 796 Q HA 0.504 4.715 4.340 -0.216 0.000 0.252 796 Q C 0.482 176.548 176.000 0.110 0.000 0.909 796 Q CA -0.265 55.604 55.803 0.111 0.000 0.922 796 Q CB 0.688 29.462 28.738 0.059 0.000 1.215 796 Q HN 0.536 nan 8.270 nan 0.000 0.427 797 L N 3.160 124.457 121.223 0.123 0.000 2.513 797 L HA -0.032 4.179 4.340 -0.216 0.000 0.272 797 L C 0.939 177.831 176.870 0.036 0.000 1.187 797 L CA 0.104 54.982 54.840 0.063 0.000 0.895 797 L CB 0.125 42.195 42.059 0.019 0.000 1.147 797 L HN 0.287 nan 8.230 nan 0.000 0.483 798 Q N 4.314 124.130 119.800 0.027 0.000 2.354 798 Q HA 0.284 4.495 4.340 -0.216 0.000 0.244 798 Q C -2.084 173.904 176.000 -0.020 0.000 0.969 798 Q CA -1.843 53.941 55.803 -0.033 0.000 0.885 798 Q CB 0.493 29.202 28.738 -0.049 0.000 1.241 798 Q HN 0.324 nan 8.270 nan 0.000 0.461 799 P HA -0.110 nan 4.420 nan 0.000 0.264 799 P C -0.307 177.053 177.300 0.100 0.000 1.179 799 P CA 0.040 63.100 63.100 -0.067 0.000 0.763 799 P CB 0.136 31.606 31.700 -0.384 0.000 0.806 800 F N 3.125 123.129 119.950 0.089 0.000 2.514 800 F HA 0.213 4.610 4.527 -0.216 0.000 0.399 800 F C 1.531 177.445 175.800 0.190 0.000 1.011 800 F CA 1.834 59.938 58.000 0.173 0.000 1.109 800 F CB -0.942 38.179 39.000 0.201 0.000 0.980 800 F HN 0.657 nan 8.300 nan 0.000 0.538 801 G N 3.448 112.119 108.800 -0.215 0.000 2.254 801 G HA2 -0.093 3.737 3.960 -0.216 0.000 0.225 801 G HA3 -0.093 3.737 3.960 -0.216 0.000 0.225 801 G C 0.325 175.181 174.900 -0.075 0.000 1.003 801 G CA -0.101 44.857 45.100 -0.238 0.000 0.622 801 G HN 1.308 nan 8.290 nan 0.000 0.507 802 A N 0.494 123.262 122.820 -0.086 0.000 2.407 802 A HA 0.660 4.851 4.320 -0.216 0.000 0.248 802 A C 0.813 178.339 177.584 -0.097 0.000 1.082 802 A CA 0.461 52.417 52.037 -0.135 0.000 0.785 802 A CB 0.753 19.512 19.000 -0.401 0.000 1.020 802 A HN 1.180 nan 8.150 nan 0.000 0.489 803 V N 1.487 121.354 119.914 -0.079 0.000 2.686 803 V HA 0.593 4.584 4.120 -0.216 0.000 0.295 803 V C 1.007 177.042 176.094 -0.098 0.000 1.055 803 V CA 0.978 63.218 62.300 -0.100 0.000 1.050 803 V CB 0.836 32.607 31.823 -0.087 0.000 0.984 803 V HN 1.362 nan 8.190 nan 0.000 0.482 804 G N 2.893 111.625 108.800 -0.112 0.000 2.550 804 G HA2 0.463 4.294 3.960 -0.216 0.000 0.293 804 G HA3 0.463 4.294 3.960 -0.216 0.000 0.293 804 G C -1.232 173.610 174.900 -0.096 0.000 1.402 804 G CA -0.694 44.354 45.100 -0.086 0.000 0.784 804 G HN 0.660 nan 8.290 nan 0.000 0.482 805 E N 0.122 120.283 120.200 -0.065 0.000 2.299 805 E HA 0.239 4.459 4.350 -0.216 0.000 0.272 805 E C -0.017 176.554 176.600 -0.049 0.000 1.043 805 E CA -0.449 55.914 56.400 -0.062 0.000 0.895 805 E CB 0.686 30.357 29.700 -0.049 0.000 1.011 805 E HN 0.431 nan 8.360 nan 0.000 0.432 806 L N 5.938 127.123 121.223 -0.064 0.000 2.433 806 L HA 0.144 4.354 4.340 -0.216 0.000 0.275 806 L C -0.989 175.906 176.870 0.041 0.000 1.128 806 L CA -0.369 54.447 54.840 -0.041 0.000 0.875 806 L CB -0.033 41.996 42.059 -0.050 0.000 1.171 806 L HN 0.733 nan 8.230 nan 0.000 0.463 807 C N 5.212 124.567 119.300 0.091 0.000 2.529 807 C HA 0.660 4.991 4.460 -0.216 0.000 0.329 807 C C 0.073 175.202 174.990 0.230 0.000 1.194 807 C CA -0.908 58.200 59.018 0.150 0.000 1.779 807 C CB 1.404 29.257 27.740 0.190 0.000 2.322 807 C HN 0.685 nan 8.230 nan 0.000 0.500 808 I N 1.188 121.907 120.570 0.249 0.000 2.689 808 I HA 0.666 4.706 4.170 -0.216 0.000 0.299 808 I C 0.011 176.297 176.117 0.281 0.000 1.059 808 I CA 0.230 61.672 61.300 0.237 0.000 1.055 808 I CB 2.064 40.183 38.000 0.198 0.000 1.243 808 I HN 0.698 nan 8.210 nan 0.000 0.425 809 S N 1.823 117.685 115.700 0.269 0.000 2.776 809 S HA 0.952 5.292 4.470 -0.216 0.000 0.292 809 S C -0.430 174.279 174.600 0.181 0.000 1.187 809 S CA 0.230 58.589 58.200 0.266 0.000 0.834 809 S CB 1.698 65.147 63.200 0.414 0.000 1.199 809 S HN 1.317 nan 8.310 nan 0.000 0.514 810 G N 1.123 110.017 108.800 0.157 0.000 2.428 810 G HA2 -0.125 3.706 3.960 -0.216 0.000 0.202 810 G HA3 -0.125 3.706 3.960 -0.216 0.000 0.202 810 G C 0.469 175.420 174.900 0.085 0.000 1.247 810 G CA 0.069 45.236 45.100 0.113 0.000 1.020 810 G HN 0.701 nan 8.290 nan 0.000 0.529 811 M N 0.917 120.559 119.600 0.071 0.000 2.394 811 M HA 0.090 4.440 4.480 -0.216 0.000 0.264 811 M C 2.552 178.868 176.300 0.027 0.000 1.073 811 M CA 1.940 57.272 55.300 0.054 0.000 1.111 811 M CB -0.242 32.398 32.600 0.066 0.000 1.401 811 M HN 0.732 nan 8.290 nan 0.000 0.448 812 G N -0.155 108.656 108.800 0.019 0.000 2.572 812 G HA2 0.052 3.882 3.960 -0.216 0.000 0.216 812 G HA3 0.052 3.882 3.960 -0.216 0.000 0.216 812 G C 0.539 175.422 174.900 -0.029 0.000 1.133 812 G CA -0.131 44.955 45.100 -0.022 0.000 0.791 812 G HN 0.220 nan 8.290 nan 0.000 0.538 813 V N 2.624 122.549 119.914 0.018 0.000 2.450 813 V HA 0.200 4.191 4.120 -0.216 0.000 0.281 813 V C 1.124 177.238 176.094 0.033 0.000 1.019 813 V CA -0.249 62.082 62.300 0.052 0.000 1.062 813 V CB 0.306 32.214 31.823 0.142 0.000 0.979 813 V HN 0.469 nan 8.190 nan 0.000 0.477 814 S N 5.023 120.728 115.700 0.007 0.000 2.587 814 S HA 0.144 4.484 4.470 -0.216 0.000 0.260 814 S C 0.813 175.266 174.600 -0.245 0.000 1.353 814 S CA -0.279 57.849 58.200 -0.121 0.000 0.995 814 S CB 0.486 63.586 63.200 -0.166 0.000 0.912 814 S HN 0.685 nan 8.310 nan 0.000 0.568 815 K N 0.784 120.995 120.400 -0.317 0.000 2.525 815 K HA 0.227 4.417 4.320 -0.216 0.000 0.192 815 K C 1.106 177.346 176.600 -0.600 0.000 1.029 815 K CA 0.517 56.580 56.287 -0.374 0.000 1.029 815 K CB -0.773 31.578 32.500 -0.248 0.000 0.814 815 K HN 0.938 nan 8.250 nan 0.000 0.503 816 G N 0.229 108.508 108.800 -0.867 0.000 2.500 816 G HA2 -0.241 3.590 3.960 -0.216 0.000 0.209 816 G HA3 -0.241 3.590 3.960 -0.216 0.000 0.209 816 G C -1.409 173.119 174.900 -0.621 0.000 1.283 816 G CA -0.901 43.482 45.100 -1.194 0.000 0.960 816 G HN 0.085 nan 8.290 nan 0.000 0.528 817 Y N -0.435 119.740 120.300 -0.209 0.000 2.323 817 Y HA 0.541 4.961 4.550 -0.216 0.000 0.331 817 Y C 1.187 177.015 175.900 -0.119 0.000 1.092 817 Y CA -0.842 57.190 58.100 -0.112 0.000 1.150 817 Y CB 1.525 39.981 38.460 -0.007 0.000 1.200 817 Y HN 0.445 nan 8.280 nan 0.000 0.472 818 V N 3.781 123.706 119.914 0.018 0.000 2.673 818 V HA -0.105 3.885 4.120 -0.216 0.000 0.303 818 V C 0.593 176.699 176.094 0.019 0.000 1.046 818 V CA 0.185 62.469 62.300 -0.027 0.000 1.126 818 V CB -0.248 31.533 31.823 -0.071 0.000 0.934 818 V HN 1.019 nan 8.190 nan 0.000 0.487 819 N N 2.631 121.335 118.700 0.006 0.000 2.681 819 N HA -0.207 4.404 4.740 -0.216 0.000 0.250 819 N C -0.063 175.471 175.510 0.040 0.000 1.133 819 N CA 0.814 53.873 53.050 0.016 0.000 0.732 819 N CB -0.478 38.016 38.487 0.012 0.000 1.107 819 N HN 0.683 nan 8.380 nan 0.000 0.559 820 R N -0.675 119.861 120.500 0.061 0.000 2.629 820 R HA 0.395 4.606 4.340 -0.216 0.000 0.275 820 R C 0.484 176.843 176.300 0.099 0.000 1.719 820 R CA 0.143 56.294 56.100 0.086 0.000 1.472 820 R CB 0.960 31.322 30.300 0.104 0.000 1.237 820 R HN 0.148 nan 8.270 nan 0.000 0.589 821 A N 1.998 124.853 122.820 0.059 0.000 1.969 821 A HA -0.202 3.988 4.320 -0.216 0.000 0.218 821 A C 1.759 179.388 177.584 0.075 0.000 1.169 821 A CA 1.768 53.833 52.037 0.047 0.000 0.635 821 A CB -0.103 18.910 19.000 0.022 0.000 0.810 821 A HN 0.682 nan 8.150 nan 0.000 0.445 822 D N 0.412 120.858 120.400 0.077 0.000 2.104 822 D HA -0.184 4.326 4.640 -0.216 0.000 0.194 822 D C 1.599 177.974 176.300 0.124 0.000 0.994 822 D CA 1.358 55.406 54.000 0.080 0.000 0.830 822 D CB -0.701 40.135 40.800 0.060 0.000 0.959 822 D HN 0.289 nan 8.370 nan 0.000 0.452 823 L N 0.901 122.226 121.223 0.171 0.000 2.056 823 L HA -0.037 4.173 4.340 -0.216 0.000 0.207 823 L C 2.796 179.934 176.870 0.448 0.000 1.078 823 L CA 1.469 56.468 54.840 0.265 0.000 0.749 823 L CB -1.397 40.785 42.059 0.206 0.000 0.901 823 L HN 0.096 nan 8.230 nan 0.000 0.433 824 T N -0.173 114.635 114.554 0.422 0.000 2.635 824 T HA -0.278 3.943 4.350 -0.216 0.000 0.267 824 T C 2.183 177.066 174.700 0.305 0.000 1.040 824 T CA 2.321 64.607 62.100 0.310 0.000 1.156 824 T CB -0.462 68.393 68.868 -0.022 0.000 0.863 824 T HN 0.463 nan 8.240 nan 0.000 0.430 825 K N 1.715 122.221 120.400 0.176 0.000 2.152 825 K HA -0.174 4.017 4.320 -0.216 0.000 0.206 825 K C 1.945 178.626 176.600 0.136 0.000 1.048 825 K CA 2.063 58.428 56.287 0.130 0.000 0.933 825 K CB -0.989 31.558 32.500 0.078 0.000 0.721 825 K HN 0.845 nan 8.250 nan 0.000 0.447 826 E N -0.033 120.259 120.200 0.154 0.000 2.046 826 E HA -0.179 4.042 4.350 -0.216 0.000 0.190 826 E C 1.816 178.466 176.600 0.082 0.000 0.982 826 E CA 0.956 57.418 56.400 0.104 0.000 0.800 826 E CB 0.069 29.825 29.700 0.093 0.000 0.756 826 E HN 0.364 nan 8.360 nan 0.000 0.449 827 K N -0.294 120.199 120.400 0.155 0.000 2.262 827 K HA 0.119 4.310 4.320 -0.216 0.000 0.200 827 K C -0.057 176.433 176.600 -0.184 0.000 1.049 827 K CA 0.308 56.555 56.287 -0.067 0.000 0.979 827 K CB 0.249 32.744 32.500 -0.008 0.000 0.773 827 K HN 0.108 nan 8.250 nan 0.000 0.474 828 F N 0.800 120.787 119.950 0.062 0.000 2.458 828 F HA 0.377 4.774 4.527 -0.216 0.000 0.336 828 F C 0.200 176.011 175.800 0.019 0.000 1.114 828 F CA -0.978 57.060 58.000 0.063 0.000 0.987 828 F CB 1.196 40.212 39.000 0.028 0.000 1.130 828 F HN -0.264 nan 8.300 nan 0.000 0.458 829 I N 1.371 122.042 120.570 0.168 0.000 3.102 829 I HA 0.195 4.236 4.170 -0.216 0.000 0.310 829 I C -0.405 175.738 176.117 0.042 0.000 1.246 829 I CA -1.418 59.923 61.300 0.070 0.000 0.979 829 I CB 2.209 40.216 38.000 0.011 0.000 1.267 829 I HN 0.505 nan 8.210 nan 0.000 0.451 830 E N 2.629 122.827 120.200 -0.003 0.000 2.316 830 E HA 0.018 4.238 4.350 -0.216 0.000 0.275 830 E C -0.173 176.379 176.600 -0.081 0.000 1.029 830 E CA -0.316 56.068 56.400 -0.027 0.000 0.871 830 E CB 0.568 30.243 29.700 -0.042 0.000 1.022 830 E HN 0.361 nan 8.360 nan 0.000 0.418 831 N N 5.849 124.510 118.700 -0.064 0.000 2.423 831 N HA -0.003 4.608 4.740 -0.216 0.000 0.275 831 N C -2.038 173.304 175.510 -0.280 0.000 1.283 831 N CA -1.446 51.527 53.050 -0.128 0.000 0.932 831 N CB 0.908 39.389 38.487 -0.011 0.000 1.185 831 N HN 0.287 nan 8.380 nan 0.000 0.483 832 P HA -0.025 nan 4.420 nan 0.000 0.225 832 P C 0.101 176.959 177.300 -0.737 0.000 1.148 832 P CA 1.088 63.739 63.100 -0.748 0.000 0.779 832 P CB 0.019 31.058 31.700 -1.102 0.000 0.780 833 F N -0.999 118.849 119.950 -0.171 0.000 2.695 833 F HA 0.312 4.709 4.527 -0.216 0.000 0.303 833 F C 0.755 176.535 175.800 -0.033 0.000 1.091 833 F CA 0.078 58.012 58.000 -0.110 0.000 1.300 833 F CB 0.107 39.004 39.000 -0.172 0.000 1.071 833 F HN -0.307 nan 8.300 nan 0.000 0.578 834 K N 0.716 121.148 120.400 0.054 0.000 2.865 834 K HA 0.213 4.403 4.320 -0.216 0.000 0.259 834 K C -2.839 173.775 176.600 0.023 0.000 1.236 834 K CA -1.538 54.792 56.287 0.072 0.000 1.024 834 K CB 1.378 33.963 32.500 0.142 0.000 1.344 834 K HN -0.270 nan 8.250 nan 0.000 0.558 835 P HA -0.174 nan 4.420 nan 0.000 0.262 835 P C 0.873 178.177 177.300 0.007 0.000 1.151 835 P CA 1.823 64.918 63.100 -0.008 0.000 0.757 835 P CB 0.540 32.236 31.700 -0.006 0.000 0.754 836 G N 1.915 110.716 108.800 0.002 0.000 2.284 836 G HA2 -0.194 3.637 3.960 -0.216 0.000 0.230 836 G HA3 -0.194 3.637 3.960 -0.216 0.000 0.230 836 G C 0.047 174.958 174.900 0.019 0.000 1.021 836 G CA -0.295 44.810 45.100 0.008 0.000 0.619 836 G HN 0.563 nan 8.290 nan 0.000 0.510 837 E N 0.741 120.961 120.200 0.032 0.000 2.283 837 E HA 0.571 4.791 4.350 -0.216 0.000 0.267 837 E C -0.550 176.084 176.600 0.057 0.000 1.045 837 E CA -0.187 56.247 56.400 0.056 0.000 0.884 837 E CB 1.285 31.039 29.700 0.090 0.000 1.106 837 E HN 0.137 nan 8.360 nan 0.000 0.408 838 T N 1.455 116.062 114.554 0.087 0.000 2.888 838 T HA 0.411 4.632 4.350 -0.216 0.000 0.284 838 T C -0.799 173.992 174.700 0.152 0.000 1.017 838 T CA -0.610 61.559 62.100 0.115 0.000 1.022 838 T CB 0.858 69.813 68.868 0.146 0.000 1.013 838 T HN 0.133 nan 8.240 nan 0.000 0.465 839 L N 3.185 124.491 121.223 0.138 0.000 2.322 839 L HA 0.557 4.768 4.340 -0.216 0.000 0.281 839 L C -1.361 175.575 176.870 0.110 0.000 1.014 839 L CA -0.843 54.079 54.840 0.136 0.000 0.815 839 L CB 1.044 43.142 42.059 0.065 0.000 1.247 839 L HN 0.658 nan 8.230 nan 0.000 0.421 840 Y N 4.542 124.805 120.300 -0.062 0.000 2.328 840 Y HA 0.530 4.951 4.550 -0.215 0.000 0.337 840 Y C -0.240 175.572 175.900 -0.146 0.000 1.008 840 Y CA -0.651 57.281 58.100 -0.281 0.000 1.129 840 Y CB 0.780 39.027 38.460 -0.354 0.000 1.185 840 Y HN 0.551 nan 8.280 nan 0.000 0.476 841 R N 3.752 123.794 120.500 -0.763 0.000 2.196 841 R HA 0.149 4.359 4.340 -0.216 0.000 0.340 841 R C 1.238 177.025 176.300 -0.855 0.000 1.043 841 R CA 0.439 56.205 56.100 -0.557 0.000 0.883 841 R CB 0.658 30.752 30.300 -0.343 0.000 1.078 841 R HN 0.905 nan 8.270 nan 0.000 0.462 842 T N -0.531 113.764 114.554 -0.431 0.000 2.951 842 T HA 0.006 4.226 4.350 -0.216 0.000 0.268 842 T C 1.610 176.254 174.700 -0.094 0.000 1.073 842 T CA 0.853 62.837 62.100 -0.193 0.000 1.134 842 T CB 0.044 69.004 68.868 0.153 0.000 0.884 842 T HN 0.756 nan 8.240 nan 0.000 0.479 843 G N 1.195 109.933 108.800 -0.105 0.000 2.225 843 G HA2 -0.200 3.630 3.960 -0.216 0.000 0.254 843 G HA3 -0.200 3.630 3.960 -0.216 0.000 0.254 843 G C -0.242 174.656 174.900 -0.003 0.000 0.988 843 G CA 0.186 45.261 45.100 -0.041 0.000 0.625 843 G HN 0.619 nan 8.290 nan 0.000 0.527 844 D N 0.185 120.609 120.400 0.039 0.000 2.253 844 D HA 0.594 5.105 4.640 -0.216 0.000 0.249 844 D C 0.051 176.281 176.300 -0.117 0.000 1.049 844 D CA -0.329 53.678 54.000 0.012 0.000 0.929 844 D CB 1.708 42.645 40.800 0.227 0.000 1.176 844 D HN 0.035 nan 8.370 nan 0.000 0.437 845 L N 0.977 122.041 121.223 -0.264 0.000 2.322 845 L HA 0.657 4.867 4.340 -0.216 0.000 0.279 845 L C 0.087 176.747 176.870 -0.350 0.000 1.036 845 L CA -0.495 54.187 54.840 -0.264 0.000 0.807 845 L CB 1.068 42.979 42.059 -0.246 0.000 1.226 845 L HN 0.538 nan 8.230 nan 0.000 0.433 846 A N 3.860 126.514 122.820 -0.276 0.000 2.602 846 A HA 0.953 5.144 4.320 -0.216 0.000 0.290 846 A C -1.208 176.211 177.584 -0.276 0.000 1.114 846 A CA -0.737 51.119 52.037 -0.302 0.000 0.683 846 A CB 1.876 20.664 19.000 -0.353 0.000 1.281 846 A HN 0.691 nan 8.150 nan 0.000 0.416 847 R N -0.607 119.724 120.500 -0.281 0.000 2.740 847 R HA 0.612 4.822 4.340 -0.216 0.000 0.273 847 R C -1.862 174.279 176.300 -0.264 0.000 0.998 847 R CA -0.680 55.273 56.100 -0.246 0.000 0.900 847 R CB 1.004 31.215 30.300 -0.147 0.000 1.223 847 R HN 0.632 nan 8.270 nan 0.000 0.466 848 W N 2.308 123.530 121.300 -0.130 0.000 2.266 848 W HA 0.330 4.860 4.660 -0.216 0.000 0.317 848 W C 0.167 176.551 176.519 -0.225 0.000 1.310 848 W CA -0.565 56.720 57.345 -0.100 0.000 1.207 848 W CB 0.631 30.134 29.460 0.072 0.000 1.199 848 W HN 0.250 nan 8.180 nan 0.000 0.544 849 L N 5.615 126.926 121.223 0.147 0.000 2.439 849 L HA 0.157 4.368 4.340 -0.216 0.000 0.261 849 L C -1.050 175.893 176.870 0.123 0.000 1.153 849 L CA -1.715 53.152 54.840 0.045 0.000 0.808 849 L CB 0.482 42.574 42.059 0.055 0.000 1.126 849 L HN 0.241 nan 8.230 nan 0.000 0.460 850 P HA -0.203 nan 4.420 nan 0.000 0.218 850 P C 0.559 178.058 177.300 0.332 0.000 1.146 850 P CA 1.230 64.491 63.100 0.268 0.000 0.820 850 P CB -0.038 31.752 31.700 0.150 0.000 0.778 851 D N -2.100 118.437 120.400 0.227 0.000 2.349 851 D HA 0.060 4.570 4.640 -0.216 0.000 0.224 851 D C 1.463 177.893 176.300 0.218 0.000 1.029 851 D CA 0.684 54.799 54.000 0.193 0.000 0.879 851 D CB -1.002 39.884 40.800 0.142 0.000 0.906 851 D HN 0.229 nan 8.370 nan 0.000 0.528 852 G N 0.066 109.052 108.800 0.310 0.000 2.205 852 G HA2 -0.305 3.525 3.960 -0.216 0.000 0.261 852 G HA3 -0.305 3.525 3.960 -0.216 0.000 0.261 852 G C 0.593 175.730 174.900 0.394 0.000 0.980 852 G CA 0.791 46.060 45.100 0.281 0.000 0.632 852 G HN 0.821 nan 8.290 nan 0.000 0.533 853 T N -0.883 113.848 114.554 0.295 0.000 2.788 853 T HA 0.672 4.892 4.350 -0.216 0.000 0.287 853 T C 0.466 175.273 174.700 0.179 0.000 1.007 853 T CA -0.305 61.925 62.100 0.218 0.000 1.005 853 T CB 1.807 70.733 68.868 0.097 0.000 1.012 853 T HN 0.546 nan 8.240 nan 0.000 0.530 854 I N 0.956 121.522 120.570 -0.007 0.000 2.441 854 I HA 0.369 4.409 4.170 -0.216 0.000 0.295 854 I C 0.197 176.204 176.117 -0.183 0.000 0.994 854 I CA -0.811 60.381 61.300 -0.180 0.000 1.144 854 I CB 1.839 39.617 38.000 -0.370 0.000 1.314 854 I HN 0.805 nan 8.210 nan 0.000 0.445 855 E N 6.296 126.390 120.200 -0.177 0.000 2.113 855 E HA 0.188 4.409 4.350 -0.216 0.000 0.273 855 E C -1.452 175.069 176.600 -0.132 0.000 0.924 855 E CA -0.651 55.670 56.400 -0.132 0.000 0.764 855 E CB 1.050 30.689 29.700 -0.101 0.000 1.104 855 E HN 0.498 nan 8.360 nan 0.000 0.406 856 Y N 3.774 123.931 120.300 -0.239 0.000 2.377 856 Y HA 0.371 4.791 4.550 -0.215 0.000 0.330 856 Y C 0.176 175.981 175.900 -0.158 0.000 1.108 856 Y CA 0.190 58.137 58.100 -0.256 0.000 1.308 856 Y CB 1.339 39.639 38.460 -0.267 0.000 1.216 856 Y HN 0.619 nan 8.280 nan 0.000 0.518 857 A N 4.622 127.078 122.820 -0.606 0.000 2.538 857 A HA 0.600 4.790 4.320 -0.216 0.000 0.269 857 A C 0.867 178.140 177.584 -0.519 0.000 1.231 857 A CA 0.327 52.111 52.037 -0.423 0.000 0.948 857 A CB -0.911 17.923 19.000 -0.277 0.000 1.110 857 A HN 1.637 nan 8.150 nan 0.000 0.529 858 G N -0.183 107.994 108.800 -1.039 0.000 2.660 858 G HA2 -0.105 3.726 3.960 -0.216 0.000 0.247 858 G HA3 -0.105 3.726 3.960 -0.216 0.000 0.247 858 G C -0.636 174.023 174.900 -0.401 0.000 1.328 858 G CA -0.867 43.886 45.100 -0.577 0.000 0.884 858 G HN 0.453 nan 8.290 nan 0.000 0.531 859 R N -0.471 119.957 120.500 -0.120 0.000 2.410 859 R HA 0.473 4.684 4.340 -0.216 0.000 0.288 859 R C 1.765 178.029 176.300 -0.061 0.000 1.051 859 R CA -0.450 55.624 56.100 -0.043 0.000 1.021 859 R CB 0.903 31.221 30.300 0.029 0.000 1.032 859 R HN 0.489 nan 8.270 nan 0.000 0.481 860 I N 1.434 121.971 120.570 -0.055 0.000 2.208 860 I HA -0.332 3.708 4.170 -0.216 0.000 0.245 860 I C 1.520 177.618 176.117 -0.031 0.000 1.097 860 I CA 1.731 63.002 61.300 -0.050 0.000 1.363 860 I CB -0.270 37.703 38.000 -0.045 0.000 1.051 860 I HN 0.633 nan 8.210 nan 0.000 0.413 861 D N -0.799 119.591 120.400 -0.018 0.000 2.352 861 D HA -0.151 4.360 4.640 -0.216 0.000 0.232 861 D C 0.586 176.882 176.300 -0.005 0.000 1.055 861 D CA 0.468 54.462 54.000 -0.010 0.000 0.891 861 D CB -0.338 40.459 40.800 -0.004 0.000 0.897 861 D HN 0.340 nan 8.370 nan 0.000 0.529 862 D N -0.253 120.143 120.400 -0.007 0.000 2.908 862 D HA 0.064 4.575 4.640 -0.216 0.000 0.361 862 D C -0.759 175.539 176.300 -0.005 0.000 1.416 862 D CA -0.404 53.597 54.000 0.002 0.000 0.796 862 D CB 0.087 40.896 40.800 0.015 0.000 1.185 862 D HN -0.131 nan 8.370 nan 0.000 0.451 863 Q N -0.057 119.735 119.800 -0.012 0.000 2.387 863 Q HA 0.688 4.899 4.340 -0.216 0.000 0.273 863 Q C -0.692 175.301 176.000 -0.011 0.000 1.089 863 Q CA -1.150 54.643 55.803 -0.016 0.000 0.824 863 Q CB 2.753 31.473 28.738 -0.031 0.000 1.367 863 Q HN 0.140 nan 8.270 nan 0.000 0.443 864 V N -1.649 118.261 119.914 -0.006 0.000 2.817 864 V HA 0.523 4.514 4.120 -0.216 0.000 0.303 864 V C -0.867 175.221 176.094 -0.010 0.000 1.151 864 V CA -1.053 61.243 62.300 -0.008 0.000 0.929 864 V CB 2.096 33.922 31.823 0.005 0.000 1.030 864 V HN 0.631 nan 8.190 nan 0.000 0.427 865 K N 3.486 123.864 120.400 -0.036 0.000 2.240 865 K HA 0.801 4.992 4.320 -0.216 0.000 0.271 865 K C -1.395 175.168 176.600 -0.063 0.000 1.018 865 K CA -0.645 55.605 56.287 -0.060 0.000 0.874 865 K CB 1.426 33.861 32.500 -0.108 0.000 1.098 865 K HN 0.793 nan 8.250 nan 0.000 0.458 866 I N 4.109 124.656 120.570 -0.038 0.000 2.478 866 I HA 0.279 4.320 4.170 -0.216 0.000 0.287 866 I C -0.086 176.008 176.117 -0.038 0.000 1.042 866 I CA -0.825 60.464 61.300 -0.019 0.000 1.067 866 I CB 1.773 39.807 38.000 0.057 0.000 1.233 866 I HN 0.727 nan 8.210 nan 0.000 0.431 867 R N 4.080 124.546 120.500 -0.056 0.000 3.333 867 R HA -0.198 4.012 4.340 -0.216 0.000 0.256 867 R C 0.882 177.083 176.300 -0.164 0.000 1.010 867 R CA 0.684 56.755 56.100 -0.048 0.000 0.680 867 R CB -1.534 28.801 30.300 0.058 0.000 1.102 867 R HN 1.179 nan 8.270 nan 0.000 0.440 868 G N -0.321 108.336 108.800 -0.239 0.000 2.225 868 G HA2 -0.349 3.482 3.960 -0.216 0.000 0.267 868 G HA3 -0.349 3.482 3.960 -0.216 0.000 0.267 868 G C -0.409 174.204 174.900 -0.477 0.000 1.024 868 G CA 0.787 45.693 45.100 -0.324 0.000 0.784 868 G HN 0.704 nan 8.290 nan 0.000 0.507 869 H N -0.987 117.928 119.070 -0.260 0.000 2.708 869 H HA 0.463 4.889 4.556 -0.216 0.000 0.320 869 H C 0.496 175.731 175.328 -0.154 0.000 0.991 869 H CA -0.854 55.014 56.048 -0.299 0.000 1.243 869 H CB 0.921 30.240 29.762 -0.739 0.000 1.446 869 H HN 0.269 nan 8.280 nan 0.000 0.502 870 R N 3.742 124.244 120.500 0.003 0.000 2.446 870 R HA 0.061 4.271 4.340 -0.216 0.000 0.314 870 R C -0.763 175.573 176.300 0.059 0.000 1.003 870 R CA -0.065 56.040 56.100 0.008 0.000 1.018 870 R CB -0.007 30.286 30.300 -0.013 0.000 0.945 870 R HN 0.451 nan 8.270 nan 0.000 0.419 871 I N 3.694 124.298 120.570 0.058 0.000 2.404 871 I HA 0.219 4.260 4.170 -0.216 0.000 0.293 871 I C 0.206 176.349 176.117 0.043 0.000 0.992 871 I CA -0.599 60.753 61.300 0.086 0.000 1.149 871 I CB 1.591 39.657 38.000 0.109 0.000 1.315 871 I HN 0.612 nan 8.210 nan 0.000 0.446 872 E N 5.101 125.327 120.200 0.042 0.000 2.081 872 E HA 0.169 4.389 4.350 -0.216 0.000 0.281 872 E C 0.765 177.386 176.600 0.036 0.000 0.986 872 E CA -0.237 56.179 56.400 0.027 0.000 0.796 872 E CB 1.332 31.045 29.700 0.022 0.000 1.085 872 E HN 0.610 nan 8.360 nan 0.000 0.398 873 L N 3.999 125.240 121.223 0.031 0.000 2.395 873 L HA -0.001 4.210 4.340 -0.216 0.000 0.218 873 L C 1.809 178.703 176.870 0.040 0.000 1.130 873 L CA 1.115 55.974 54.840 0.032 0.000 0.826 873 L CB 0.109 42.182 42.059 0.025 0.000 0.941 873 L HN 0.569 nan 8.230 nan 0.000 0.451 874 E N -0.235 119.994 120.200 0.048 0.000 2.358 874 E HA -0.225 3.995 4.350 -0.216 0.000 0.195 874 E C 1.900 178.538 176.600 0.064 0.000 1.010 874 E CA 0.452 56.887 56.400 0.059 0.000 0.856 874 E CB 0.144 29.888 29.700 0.072 0.000 0.795 874 E HN 0.570 nan 8.360 nan 0.000 0.504 875 E N 0.319 120.554 120.200 0.059 0.000 2.158 875 E HA -0.148 4.072 4.350 -0.216 0.000 0.191 875 E C 2.084 178.713 176.600 0.047 0.000 0.982 875 E CA 1.009 57.443 56.400 0.056 0.000 0.823 875 E CB 0.026 29.756 29.700 0.051 0.000 0.766 875 E HN 0.408 nan 8.360 nan 0.000 0.468 876 I N -0.895 119.700 120.570 0.041 0.000 2.406 876 I HA -0.067 3.973 4.170 -0.216 0.000 0.249 876 I C 1.763 177.917 176.117 0.062 0.000 1.122 876 I CA 1.120 62.444 61.300 0.039 0.000 1.431 876 I CB -0.260 37.755 38.000 0.024 0.000 1.087 876 I HN -0.070 nan 8.210 nan 0.000 0.424 877 E N 1.475 121.713 120.200 0.062 0.000 2.058 877 E HA -0.244 3.977 4.350 -0.216 0.000 0.194 877 E C 2.347 178.997 176.600 0.083 0.000 0.997 877 E CA 2.057 58.501 56.400 0.073 0.000 0.801 877 E CB -0.280 29.459 29.700 0.065 0.000 0.746 877 E HN 0.719 nan 8.360 nan 0.000 0.450 878 K N 0.899 121.346 120.400 0.079 0.000 2.148 878 K HA -0.174 4.016 4.320 -0.216 0.000 0.204 878 K C 1.819 178.480 176.600 0.102 0.000 1.050 878 K CA 1.601 57.938 56.287 0.084 0.000 0.942 878 K CB -0.555 31.992 32.500 0.077 0.000 0.724 878 K HN -0.020 nan 8.250 nan 0.000 0.446 879 Q N 0.096 119.959 119.800 0.105 0.000 2.119 879 Q HA 0.085 4.295 4.340 -0.216 0.000 0.201 879 Q C 1.985 178.098 176.000 0.188 0.000 0.972 879 Q CA 1.371 57.258 55.803 0.139 0.000 0.847 879 Q CB -0.272 28.523 28.738 0.095 0.000 0.903 879 Q HN 0.632 nan 8.270 nan 0.000 0.433 880 L N 0.034 121.350 121.223 0.155 0.000 2.093 880 L HA -0.193 4.018 4.340 -0.216 0.000 0.208 880 L C 2.261 179.230 176.870 0.164 0.000 1.085 880 L CA 0.905 55.846 54.840 0.168 0.000 0.755 880 L CB -0.492 41.655 42.059 0.147 0.000 0.904 880 L HN 0.247 nan 8.230 nan 0.000 0.435 881 Q N 0.185 120.061 119.800 0.128 0.000 2.170 881 Q HA -0.197 4.014 4.340 -0.216 0.000 0.203 881 Q C 1.823 177.880 176.000 0.096 0.000 0.976 881 Q CA 1.355 57.220 55.803 0.103 0.000 0.858 881 Q CB -0.254 28.533 28.738 0.083 0.000 0.907 881 Q HN 0.612 nan 8.270 nan 0.000 0.433 882 E N -0.383 119.889 120.200 0.120 0.000 2.318 882 E HA -0.032 4.188 4.350 -0.216 0.000 0.193 882 E C -0.069 176.590 176.600 0.098 0.000 0.998 882 E CA -0.350 56.114 56.400 0.107 0.000 0.859 882 E CB 0.060 29.839 29.700 0.132 0.000 0.812 882 E HN 0.321 nan 8.360 nan 0.000 0.492 883 Y N 3.223 123.490 120.300 -0.054 0.000 2.745 883 Y HA -0.010 4.411 4.550 -0.216 0.000 0.335 883 Y C -2.147 173.668 175.900 -0.142 0.000 1.212 883 Y CA -2.230 55.729 58.100 -0.234 0.000 1.535 883 Y CB 0.359 38.636 38.460 -0.305 0.000 1.220 883 Y HN -0.092 nan 8.280 nan 0.000 0.531 884 P HA -0.083 nan 4.420 nan 0.000 0.255 884 P C -0.080 176.949 177.300 -0.451 0.000 1.151 884 P CA 1.895 64.753 63.100 -0.403 0.000 0.767 884 P CB -0.054 31.419 31.700 -0.379 0.000 0.736 885 G N 2.401 111.062 108.800 -0.232 0.000 2.587 885 G HA2 -0.009 3.822 3.960 -0.216 0.000 0.245 885 G HA3 -0.009 3.822 3.960 -0.216 0.000 0.245 885 G C 0.352 175.184 174.900 -0.113 0.000 0.959 885 G CA -0.128 44.876 45.100 -0.159 0.000 1.268 885 G HN 0.478 nan 8.290 nan 0.000 0.448 886 V N -1.108 118.787 119.914 -0.032 0.000 3.219 886 V HA 0.586 4.577 4.120 -0.216 0.000 0.214 886 V C 1.533 177.666 176.094 0.065 0.000 1.433 886 V CA 1.305 63.633 62.300 0.046 0.000 1.301 886 V CB -0.536 31.335 31.823 0.081 0.000 1.160 886 V HN 1.460 nan 8.190 nan 0.000 0.505 887 K N 0.660 121.087 120.400 0.045 0.000 4.636 887 K HA -0.221 3.969 4.320 -0.216 0.000 0.209 887 K C -0.338 176.299 176.600 0.063 0.000 0.939 887 K CA 2.140 58.456 56.287 0.049 0.000 0.667 887 K CB -1.799 30.731 32.500 0.049 0.000 0.733 887 K HN 0.700 nan 8.250 nan 0.000 0.724 888 D N 0.478 120.922 120.400 0.073 0.000 2.268 888 D HA 0.599 5.110 4.640 -0.216 0.000 0.249 888 D C -0.971 175.385 176.300 0.093 0.000 1.008 888 D CA 0.372 54.417 54.000 0.075 0.000 0.939 888 D CB 1.752 42.592 40.800 0.066 0.000 1.170 888 D HN 0.603 nan 8.370 nan 0.000 0.468 889 A N 0.565 123.438 122.820 0.089 0.000 2.547 889 A HA 0.478 4.668 4.320 -0.216 0.000 0.298 889 A C -0.913 176.727 177.584 0.093 0.000 1.062 889 A CA -0.747 51.351 52.037 0.102 0.000 0.748 889 A CB 0.963 20.029 19.000 0.110 0.000 1.288 889 A HN 0.377 nan 8.150 nan 0.000 0.396 890 V N -0.777 119.204 119.914 0.111 0.000 3.102 890 V HA 0.981 4.972 4.120 -0.216 0.000 0.312 890 V C -0.962 175.215 176.094 0.139 0.000 1.135 890 V CA -0.906 61.451 62.300 0.096 0.000 1.022 890 V CB 1.880 33.734 31.823 0.052 0.000 1.056 890 V HN 1.160 nan 8.190 nan 0.000 0.436 891 V N 2.454 122.427 119.914 0.099 0.000 2.524 891 V HA 0.531 4.522 4.120 -0.216 0.000 0.297 891 V C -0.201 175.938 176.094 0.076 0.000 1.035 891 V CA -0.386 61.971 62.300 0.096 0.000 0.867 891 V CB 1.519 33.366 31.823 0.040 0.000 1.004 891 V HN 0.957 nan 8.190 nan 0.000 0.426 892 V N 4.660 124.641 119.914 0.113 0.000 2.837 892 V HA 0.945 4.935 4.120 -0.216 0.000 0.310 892 V C 0.304 176.428 176.094 0.049 0.000 1.059 892 V CA 0.007 62.344 62.300 0.062 0.000 1.004 892 V CB 1.993 33.845 31.823 0.048 0.000 1.045 892 V HN 1.080 nan 8.190 nan 0.000 0.465 893 A N 4.584 127.419 122.820 0.026 0.000 2.355 893 A HA 0.850 5.041 4.320 -0.216 0.000 0.317 893 A C -0.992 176.602 177.584 0.017 0.000 1.094 893 A CA -0.526 51.521 52.037 0.016 0.000 0.764 893 A CB 1.138 20.142 19.000 0.007 0.000 1.230 893 A HN 0.961 nan 8.150 nan 0.000 0.448 894 D N 1.242 121.654 120.400 0.020 0.000 2.602 894 D HA 0.540 5.051 4.640 -0.216 0.000 0.236 894 D C -0.924 175.394 176.300 0.031 0.000 1.209 894 D CA -0.681 53.333 54.000 0.023 0.000 0.831 894 D CB 1.376 42.195 40.800 0.032 0.000 1.478 894 D HN 0.582 nan 8.370 nan 0.000 0.438 895 R N -0.294 120.223 120.500 0.028 0.000 2.892 895 R HA 0.427 4.638 4.340 -0.216 0.000 0.265 895 R C 0.376 176.715 176.300 0.065 0.000 1.025 895 R CA -0.612 55.509 56.100 0.035 0.000 0.982 895 R CB 1.122 31.407 30.300 -0.025 0.000 1.185 895 R HN 0.760 nan 8.270 nan 0.000 0.484 896 H N -0.254 118.818 119.070 0.004 0.000 3.188 896 H HA 0.290 4.717 4.556 -0.216 0.000 0.204 896 H C -0.660 174.671 175.328 0.005 0.000 1.565 896 H CA -0.644 55.407 56.048 0.006 0.000 1.695 896 H CB 0.422 30.189 29.762 0.008 0.000 1.392 896 H HN 0.607 nan 8.280 nan 0.000 0.965 897 E N 0.719 120.897 120.200 -0.036 0.000 2.443 897 E HA 0.030 4.251 4.350 -0.216 0.000 0.310 897 E C -0.039 176.387 176.600 -0.290 0.000 1.202 897 E CA 0.546 56.892 56.400 -0.089 0.000 1.301 897 E CB -0.046 29.689 29.700 0.058 0.000 1.104 897 E HN 0.636 nan 8.360 nan 0.000 0.487 898 S N -0.969 114.523 115.700 -0.346 0.000 4.738 898 S HA 0.188 4.529 4.470 -0.216 0.000 0.176 898 S C 1.226 175.722 174.600 -0.174 0.000 1.108 898 S CA 0.204 58.231 58.200 -0.288 0.000 1.277 898 S CB 0.488 63.427 63.200 -0.436 0.000 1.680 898 S HN 0.418 nan 8.310 nan 0.000 0.502 899 G N 1.344 110.037 108.800 -0.180 0.000 2.183 899 G HA2 -0.038 3.792 3.960 -0.216 0.000 0.168 899 G HA3 -0.038 3.792 3.960 -0.216 0.000 0.168 899 G C -0.543 174.308 174.900 -0.082 0.000 1.008 899 G CA 0.132 45.174 45.100 -0.098 0.000 0.677 899 G HN 0.623 nan 8.290 nan 0.000 0.498 900 D N 1.750 122.089 120.400 -0.102 0.000 2.494 900 D HA 0.628 5.138 4.640 -0.216 0.000 0.217 900 D C 0.876 177.185 176.300 0.015 0.000 1.153 900 D CA 0.699 54.681 54.000 -0.031 0.000 0.954 900 D CB 0.363 41.166 40.800 0.005 0.000 1.034 900 D HN 0.608 nan 8.370 nan 0.000 0.518 901 A N 2.387 125.206 122.820 -0.002 0.000 2.332 901 A HA 0.632 4.823 4.320 -0.216 0.000 0.258 901 A C 0.287 177.883 177.584 0.021 0.000 1.087 901 A CA -0.326 51.717 52.037 0.011 0.000 0.802 901 A CB 0.610 19.605 19.000 -0.008 0.000 1.042 901 A HN 0.545 nan 8.150 nan 0.000 0.489 902 S N -0.234 115.477 115.700 0.019 0.000 2.607 902 S HA 0.736 5.076 4.470 -0.216 0.000 0.273 902 S C -0.812 173.780 174.600 -0.014 0.000 1.148 902 S CA -0.676 57.527 58.200 0.005 0.000 0.833 902 S CB 0.977 64.180 63.200 0.005 0.000 1.130 902 S HN 1.083 nan 8.310 nan 0.000 0.470 903 I N 0.757 121.300 120.570 -0.046 0.000 2.418 903 I HA 0.531 4.571 4.170 -0.216 0.000 0.287 903 I C -1.166 174.855 176.117 -0.159 0.000 1.008 903 I CA -0.955 60.304 61.300 -0.068 0.000 1.104 903 I CB 1.452 39.420 38.000 -0.053 0.000 1.264 903 I HN 0.433 nan 8.210 nan 0.000 0.438 904 N N 4.973 123.592 118.700 -0.135 0.000 2.426 904 N HA 0.564 5.175 4.740 -0.216 0.000 0.275 904 N C -0.320 174.991 175.510 -0.332 0.000 1.019 904 N CA -0.320 52.554 53.050 -0.294 0.000 0.941 904 N CB 2.301 40.691 38.487 -0.161 0.000 1.123 904 N HN 0.830 nan 8.380 nan 0.000 0.486 905 A N 2.368 124.818 122.820 -0.616 0.000 2.304 905 A HA 0.633 4.823 4.320 -0.216 0.000 0.301 905 A C -1.126 176.096 177.584 -0.604 0.000 1.132 905 A CA -0.306 51.478 52.037 -0.421 0.000 0.819 905 A CB 0.297 19.066 19.000 -0.386 0.000 1.094 905 A HN 0.632 nan 8.150 nan 0.000 0.492 906 Y N 0.385 120.616 120.300 -0.114 0.000 2.442 906 Y HA 0.610 5.030 4.550 -0.216 0.000 0.344 906 Y C -0.727 175.133 175.900 -0.066 0.000 0.976 906 Y CA -0.613 57.423 58.100 -0.107 0.000 1.040 906 Y CB 2.192 40.612 38.460 -0.066 0.000 1.228 906 Y HN 0.480 nan 8.280 nan 0.000 0.451 907 L N 3.859 125.096 121.223 0.024 0.000 2.464 907 L HA 0.679 4.889 4.340 -0.216 0.000 0.266 907 L C -0.794 176.177 176.870 0.169 0.000 0.965 907 L CA -0.882 54.002 54.840 0.072 0.000 0.833 907 L CB 2.027 44.099 42.059 0.022 0.000 1.296 907 L HN 0.427 nan 8.230 nan 0.000 0.405 908 V N -0.513 119.501 119.914 0.166 0.000 2.547 908 V HA 0.766 4.756 4.120 -0.216 0.000 0.299 908 V C -0.383 175.807 176.094 0.160 0.000 1.040 908 V CA 0.038 62.438 62.300 0.168 0.000 0.913 908 V CB 1.774 33.665 31.823 0.113 0.000 0.992 908 V HN 0.900 nan 8.190 nan 0.000 0.449 909 N N 2.647 121.438 118.700 0.152 0.000 2.676 909 N HA 0.396 5.006 4.740 -0.216 0.000 0.301 909 N C 0.676 176.218 175.510 0.054 0.000 0.746 909 N CA 1.760 54.877 53.050 0.111 0.000 1.211 909 N CB 1.169 39.752 38.487 0.160 0.000 1.549 909 N HN 1.336 nan 8.380 nan 0.000 1.309 910 R N -0.994 119.531 120.500 0.042 0.000 4.024 910 R HA 0.011 4.222 4.340 -0.216 0.000 0.068 910 R C -0.420 175.860 176.300 -0.034 0.000 0.463 910 R CA 0.748 56.851 56.100 0.005 0.000 0.670 910 R CB -1.839 28.458 30.300 -0.005 0.000 0.960 910 R HN 0.197 nan 8.270 nan 0.000 0.584 911 T N 0.298 114.818 114.554 -0.056 0.000 3.442 911 T HA 0.289 4.510 4.350 -0.216 0.000 0.295 911 T C 0.804 175.445 174.700 -0.099 0.000 1.007 911 T CA 0.317 62.358 62.100 -0.098 0.000 0.962 911 T CB 1.024 69.847 68.868 -0.076 0.000 1.187 911 T HN 0.527 nan 8.240 nan 0.000 0.490 912 Q N 1.043 120.792 119.800 -0.086 0.000 1.984 912 Q HA 0.272 4.483 4.340 -0.216 0.000 0.196 912 Q C 0.391 176.341 176.000 -0.084 0.000 0.975 912 Q CA 1.014 56.772 55.803 -0.075 0.000 0.827 912 Q CB 0.046 28.746 28.738 -0.063 0.000 0.894 912 Q HN 0.507 nan 8.270 nan 0.000 0.438 913 L N 0.571 121.745 121.223 -0.081 0.000 2.307 913 L HA 0.421 4.632 4.340 -0.216 0.000 0.284 913 L C -0.125 176.664 176.870 -0.136 0.000 1.023 913 L CA -0.744 54.072 54.840 -0.040 0.000 0.810 913 L CB 1.939 44.052 42.059 0.091 0.000 1.231 913 L HN 0.014 nan 8.230 nan 0.000 0.423 914 S N 0.971 116.612 115.700 -0.099 0.000 2.626 914 S HA 0.259 4.599 4.470 -0.216 0.000 0.257 914 S C 1.278 175.858 174.600 -0.033 0.000 1.288 914 S CA 0.021 58.136 58.200 -0.141 0.000 0.980 914 S CB 1.368 64.524 63.200 -0.074 0.000 0.975 914 S HN 0.771 nan 8.310 nan 0.000 0.577 915 A N 0.675 123.517 122.820 0.037 0.000 1.883 915 A HA -0.128 4.063 4.320 -0.216 0.000 0.217 915 A C 1.959 179.529 177.584 -0.023 0.000 1.186 915 A CA 1.953 54.140 52.037 0.249 0.000 0.624 915 A CB -0.772 18.390 19.000 0.271 0.000 0.822 915 A HN 0.782 nan 8.150 nan 0.000 0.444 916 E N 0.033 120.203 120.200 -0.050 0.000 2.358 916 E HA -0.050 4.170 4.350 -0.216 0.000 0.195 916 E C 1.181 177.699 176.600 -0.136 0.000 1.010 916 E CA 0.889 57.218 56.400 -0.117 0.000 0.856 916 E CB -0.279 29.392 29.700 -0.049 0.000 0.795 916 E HN 0.574 nan 8.360 nan 0.000 0.504 917 D N -0.682 119.676 120.400 -0.071 0.000 2.126 917 D HA -0.201 4.310 4.640 -0.216 0.000 0.190 917 D C 1.765 177.957 176.300 -0.180 0.000 1.001 917 D CA 1.875 55.860 54.000 -0.024 0.000 0.841 917 D CB -0.120 40.742 40.800 0.103 0.000 0.949 917 D HN 0.107 nan 8.370 nan 0.000 0.446 918 V N 0.228 119.971 119.914 -0.286 0.000 2.427 918 V HA -0.211 3.780 4.120 -0.216 0.000 0.248 918 V C 2.610 178.392 176.094 -0.520 0.000 1.051 918 V CA 2.322 64.301 62.300 -0.534 0.000 1.048 918 V CB -0.941 30.597 31.823 -0.475 0.000 0.666 918 V HN 0.365 nan 8.190 nan 0.000 0.456 919 K N 0.433 120.492 120.400 -0.569 0.000 2.057 919 K HA -0.025 4.166 4.320 -0.216 0.000 0.206 919 K C 2.289 178.781 176.600 -0.182 0.000 1.050 919 K CA 1.737 57.810 56.287 -0.356 0.000 0.935 919 K CB -1.228 31.106 32.500 -0.277 0.000 0.715 919 K HN 0.579 nan 8.250 nan 0.000 0.439 920 A N 0.384 123.108 122.820 -0.161 0.000 1.908 920 A HA -0.251 3.940 4.320 -0.216 0.000 0.218 920 A C 2.275 179.804 177.584 -0.091 0.000 1.181 920 A CA 1.983 53.962 52.037 -0.095 0.000 0.627 920 A CB -0.786 18.179 19.000 -0.058 0.000 0.818 920 A HN 0.808 nan 8.150 nan 0.000 0.445 921 H N -0.133 118.777 119.070 -0.267 0.000 2.293 921 H HA -0.049 4.378 4.556 -0.216 0.000 0.300 921 H C 1.965 177.181 175.328 -0.187 0.000 1.082 921 H CA 1.872 57.755 56.048 -0.276 0.000 1.308 921 H CB -0.145 29.250 29.762 -0.612 0.000 1.375 921 H HN 0.422 nan 8.280 nan 0.000 0.495 922 L N 0.829 121.913 121.223 -0.232 0.000 2.056 922 L HA -0.176 4.035 4.340 -0.216 0.000 0.207 922 L C 2.822 179.589 176.870 -0.173 0.000 1.078 922 L CA 1.141 55.858 54.840 -0.206 0.000 0.749 922 L CB -0.566 41.454 42.059 -0.065 0.000 0.901 922 L HN 0.286 nan 8.230 nan 0.000 0.433 923 K N 0.459 120.782 120.400 -0.128 0.000 2.097 923 K HA -0.322 3.868 4.320 -0.216 0.000 0.223 923 K C 2.177 178.706 176.600 -0.118 0.000 1.049 923 K CA 2.170 58.395 56.287 -0.102 0.000 0.956 923 K CB -0.056 32.395 32.500 -0.082 0.000 0.746 923 K HN 0.050 nan 8.250 nan 0.000 0.461 924 K N -0.254 120.064 120.400 -0.137 0.000 2.348 924 K HA 0.047 4.237 4.320 -0.216 0.000 0.194 924 K C 2.108 178.616 176.600 -0.153 0.000 1.052 924 K CA 0.569 56.782 56.287 -0.124 0.000 1.004 924 K CB 0.303 32.745 32.500 -0.096 0.000 0.873 924 K HN 0.266 nan 8.250 nan 0.000 0.523 925 Q N 0.073 119.736 119.800 -0.227 0.000 2.083 925 Q HA 0.050 4.260 4.340 -0.216 0.000 0.198 925 Q C 0.709 176.609 176.000 -0.167 0.000 0.969 925 Q CA 0.759 56.422 55.803 -0.234 0.000 0.838 925 Q CB 0.269 28.756 28.738 -0.419 0.000 0.900 925 Q HN 0.192 nan 8.270 nan 0.000 0.436 926 L N 1.115 122.234 121.223 -0.174 0.000 2.330 926 L HA 0.365 4.575 4.340 -0.216 0.000 0.271 926 L C -2.236 174.504 176.870 -0.216 0.000 1.013 926 L CA -2.225 52.514 54.840 -0.169 0.000 0.816 926 L CB 1.624 43.595 42.059 -0.146 0.000 1.287 926 L HN -0.075 nan 8.230 nan 0.000 0.435 927 P HA 0.041 nan 4.420 nan 0.000 0.269 927 P C 0.014 177.020 177.300 -0.491 0.000 1.215 927 P CA -0.114 62.719 63.100 -0.445 0.000 0.780 927 P CB 0.742 32.004 31.700 -0.729 0.000 0.898 928 A N 2.624 125.233 122.820 -0.351 0.000 1.892 928 A HA -0.255 3.935 4.320 -0.216 0.000 0.218 928 A C 1.901 179.394 177.584 -0.152 0.000 1.188 928 A CA 2.215 54.147 52.037 -0.175 0.000 0.631 928 A CB -2.087 16.889 19.000 -0.041 0.000 0.822 928 A HN 0.765 nan 8.150 nan 0.000 0.447 929 Y N -2.223 118.035 120.300 -0.070 0.000 2.497 929 Y HA 0.113 4.534 4.550 -0.216 0.000 0.292 929 Y C 1.867 177.736 175.900 -0.051 0.000 1.137 929 Y CA 0.995 59.060 58.100 -0.058 0.000 1.285 929 Y CB -0.656 37.755 38.460 -0.082 0.000 0.991 929 Y HN 0.201 nan 8.280 nan 0.000 0.556 930 M N 0.450 119.896 119.600 -0.257 0.000 2.495 930 M HA 0.135 4.485 4.480 -0.216 0.000 0.237 930 M C -0.115 176.140 176.300 -0.076 0.000 1.131 930 M CA -0.076 55.153 55.300 -0.118 0.000 1.032 930 M CB 0.386 32.870 32.600 -0.194 0.000 1.513 930 M HN -0.032 nan 8.290 nan 0.000 0.488 931 V N 2.744 122.613 119.914 -0.076 0.000 2.508 931 V HA 0.131 4.121 4.120 -0.216 0.000 0.281 931 V C -2.008 174.073 176.094 -0.021 0.000 1.041 931 V CA -1.371 60.919 62.300 -0.016 0.000 1.016 931 V CB -0.298 31.523 31.823 -0.002 0.000 0.984 931 V HN 0.115 nan 8.190 nan 0.000 0.478 932 P HA 0.095 nan 4.420 nan 0.000 0.270 932 P C 0.302 177.405 177.300 -0.328 0.000 1.223 932 P CA -0.068 62.861 63.100 -0.285 0.000 0.785 932 P CB 0.670 32.002 31.700 -0.612 0.000 0.923 933 Q N -0.163 119.436 119.800 -0.335 0.000 2.396 933 Q HA 0.070 4.281 4.340 -0.216 0.000 0.209 933 Q C 0.007 175.843 176.000 -0.273 0.000 0.906 933 Q CA 0.616 56.293 55.803 -0.210 0.000 0.927 933 Q CB 0.388 29.053 28.738 -0.121 0.000 1.069 933 Q HN 0.687 nan 8.270 nan 0.000 0.523 934 T N -3.515 110.714 114.554 -0.542 0.000 2.864 934 T HA 0.540 4.760 4.350 -0.216 0.000 0.299 934 T C -0.820 173.321 174.700 -0.931 0.000 1.166 934 T CA -0.776 61.036 62.100 -0.480 0.000 1.007 934 T CB 0.946 69.632 68.868 -0.303 0.000 1.219 934 T HN 0.031 nan 8.240 nan 0.000 0.506 935 F N 0.575 120.333 119.950 -0.321 0.000 2.627 935 F HA 0.326 4.723 4.527 -0.216 0.000 0.344 935 F C 0.640 176.039 175.800 -0.669 0.000 1.505 935 F CA -0.830 56.872 58.000 -0.496 0.000 1.111 935 F CB 0.753 39.521 39.000 -0.387 0.000 1.585 935 F HN 0.588 nan 8.300 nan 0.000 0.582 936 T N 1.409 115.655 114.554 -0.513 0.000 2.902 936 T HA 0.130 4.350 4.350 -0.216 0.000 0.301 936 T C -0.314 174.194 174.700 -0.320 0.000 1.012 936 T CA 0.576 62.501 62.100 -0.293 0.000 1.151 936 T CB 0.226 68.986 68.868 -0.179 0.000 0.946 936 T HN 0.047 nan 8.240 nan 0.000 0.542 937 F N 2.686 122.683 119.950 0.079 0.000 2.420 937 F HA 0.571 4.969 4.527 -0.216 0.000 0.342 937 F C 0.306 176.166 175.800 0.100 0.000 1.113 937 F CA -0.957 57.098 58.000 0.093 0.000 1.059 937 F CB 0.870 39.911 39.000 0.069 0.000 1.128 937 F HN 0.254 nan 8.300 nan 0.000 0.475 938 L N 2.295 123.674 121.223 0.262 0.000 2.323 938 L HA 0.451 4.662 4.340 -0.216 0.000 0.265 938 L C 0.119 177.078 176.870 0.147 0.000 1.012 938 L CA -0.734 54.212 54.840 0.178 0.000 0.820 938 L CB 1.879 44.025 42.059 0.146 0.000 1.334 938 L HN 0.444 nan 8.230 nan 0.000 0.427 939 D N 0.010 120.472 120.400 0.103 0.000 2.137 939 D HA -0.042 4.468 4.640 -0.216 0.000 0.202 939 D C -0.151 176.190 176.300 0.068 0.000 0.970 939 D CA 1.195 55.241 54.000 0.077 0.000 0.837 939 D CB 0.415 41.248 40.800 0.056 0.000 0.981 939 D HN 0.635 nan 8.370 nan 0.000 0.475 940 E N -1.448 118.788 120.200 0.061 0.000 2.437 940 E HA 0.504 4.725 4.350 -0.216 0.000 0.280 940 E C -1.684 174.938 176.600 0.037 0.000 1.044 940 E CA -0.909 55.519 56.400 0.047 0.000 0.826 940 E CB 0.865 30.585 29.700 0.033 0.000 1.358 940 E HN -0.221 nan 8.360 nan 0.000 0.459 941 L N 1.326 122.562 121.223 0.022 0.000 2.322 941 L HA 0.601 4.811 4.340 -0.216 0.000 0.279 941 L C -2.114 174.748 176.870 -0.014 0.000 1.036 941 L CA -1.887 52.951 54.840 -0.003 0.000 0.807 941 L CB 0.574 42.630 42.059 -0.006 0.000 1.226 941 L HN 0.554 nan 8.230 nan 0.000 0.433 942 P HA 0.152 nan 4.420 nan 0.000 0.272 942 P C -0.421 176.862 177.300 -0.028 0.000 1.240 942 P CA -0.222 62.860 63.100 -0.029 0.000 0.791 942 P CB 1.308 32.984 31.700 -0.041 0.000 0.978 943 L N -1.130 120.079 121.223 -0.023 0.000 2.775 943 L HA 0.218 4.428 4.340 -0.216 0.000 0.175 943 L C 0.738 177.594 176.870 -0.024 0.000 1.110 943 L CA 1.034 55.861 54.840 -0.021 0.000 0.862 943 L CB -1.959 40.091 42.059 -0.014 0.000 1.381 943 L HN 0.505 nan 8.230 nan 0.000 0.499 944 T N 1.991 116.531 114.554 -0.023 0.000 1.969 944 T HA -0.096 4.124 4.350 -0.216 0.000 0.592 944 T C 0.666 175.349 174.700 -0.029 0.000 0.903 944 T CA 1.279 63.364 62.100 -0.025 0.000 3.149 944 T CB -0.991 67.862 68.868 -0.026 0.000 1.870 944 T HN 1.028 nan 8.240 nan 0.000 0.458 945 T N 1.976 116.512 114.554 -0.030 0.000 13.670 945 T HA -0.367 3.853 4.350 -0.216 0.000 0.415 945 T C 0.319 174.995 174.700 -0.041 0.000 1.443 945 T CA 1.155 63.231 62.100 -0.040 0.000 2.307 945 T CB -1.020 67.816 68.868 -0.053 0.000 2.689 945 T HN 1.532 nan 8.240 nan 0.000 0.291 946 N N 2.977 121.643 118.700 -0.056 0.000 2.454 946 N HA 0.280 4.890 4.740 -0.216 0.000 0.285 946 N C 0.122 175.611 175.510 -0.035 0.000 1.233 946 N CA 0.413 53.434 53.050 -0.049 0.000 1.036 946 N CB -0.820 37.624 38.487 -0.071 0.000 1.423 946 N HN 1.049 nan 8.380 nan 0.000 0.495 947 G N 3.667 112.453 108.800 -0.023 0.000 3.164 947 G HA2 0.030 3.860 3.960 -0.216 0.000 0.312 947 G HA3 0.030 3.860 3.960 -0.216 0.000 0.312 947 G C 0.767 175.661 174.900 -0.009 0.000 1.530 947 G CA -0.549 44.541 45.100 -0.018 0.000 1.079 947 G HN 0.453 nan 8.290 nan 0.000 0.527 948 K N 2.115 122.512 120.400 -0.004 0.000 2.057 948 K HA -0.063 4.127 4.320 -0.216 0.000 0.206 948 K C 1.323 177.925 176.600 0.004 0.000 1.050 948 K CA 1.531 57.821 56.287 0.005 0.000 0.935 948 K CB -0.367 32.138 32.500 0.009 0.000 0.715 948 K HN 0.485 nan 8.250 nan 0.000 0.439 949 V N 1.575 121.489 119.914 -0.002 0.000 3.441 949 V HA 0.185 4.176 4.120 -0.216 0.000 0.300 949 V C -0.106 175.979 176.094 -0.016 0.000 1.091 949 V CA -0.940 61.357 62.300 -0.006 0.000 1.099 949 V CB 0.560 32.379 31.823 -0.007 0.000 1.138 949 V HN 0.383 nan 8.190 nan 0.000 0.471 950 N N -0.340 118.344 118.700 -0.027 0.000 2.328 950 N HA 0.428 5.039 4.740 -0.216 0.000 0.299 950 N C -0.317 175.164 175.510 -0.047 0.000 1.179 950 N CA -0.456 52.571 53.050 -0.038 0.000 0.793 950 N CB 1.578 40.034 38.487 -0.051 0.000 1.366 950 N HN 1.012 nan 8.380 nan 0.000 0.493 951 K N 1.150 121.521 120.400 -0.047 0.000 2.253 951 K HA -0.050 4.140 4.320 -0.216 0.000 0.273 951 K C 1.308 177.867 176.600 -0.068 0.000 1.118 951 K CA -0.189 56.069 56.287 -0.048 0.000 1.100 951 K CB -0.693 31.782 32.500 -0.041 0.000 0.932 951 K HN 0.616 nan 8.250 nan 0.000 0.433 952 R N 1.927 122.389 120.500 -0.064 0.000 2.196 952 R HA -0.182 4.028 4.340 -0.216 0.000 0.259 952 R C 0.573 176.810 176.300 -0.104 0.000 1.154 952 R CA 1.611 57.664 56.100 -0.079 0.000 0.976 952 R CB -0.484 29.784 30.300 -0.054 0.000 0.888 952 R HN 0.753 nan 8.270 nan 0.000 0.453 953 L N 3.403 124.579 121.223 -0.079 0.000 2.546 953 L HA 0.014 4.224 4.340 -0.216 0.000 0.272 953 L C 0.322 177.125 176.870 -0.111 0.000 1.327 953 L CA 0.082 54.875 54.840 -0.078 0.000 1.199 953 L CB -0.580 41.451 42.059 -0.046 0.000 1.401 953 L HN 0.122 nan 8.230 nan 0.000 0.440 954 L N 3.686 124.792 121.223 -0.194 0.000 2.479 954 L HA 0.398 4.609 4.340 -0.216 0.000 0.249 954 L C -1.616 175.168 176.870 -0.143 0.000 1.178 954 L CA -1.712 52.961 54.840 -0.278 0.000 0.811 954 L CB 0.056 41.682 42.059 -0.721 0.000 1.187 954 L HN 0.315 nan 8.230 nan 0.000 0.480 955 P HA 0.161 nan 4.420 nan 0.000 0.279 955 P C -1.448 175.923 177.300 0.118 0.000 1.239 955 P CA -0.655 62.475 63.100 0.050 0.000 0.789 955 P CB 0.544 32.296 31.700 0.087 0.000 0.933 956 K N 3.764 124.211 120.400 0.079 0.000 2.453 956 K HA 0.142 4.332 4.320 -0.216 0.000 0.280 956 K C -1.593 175.060 176.600 0.089 0.000 1.045 956 K CA -0.857 55.479 56.287 0.082 0.000 1.059 956 K CB -0.761 31.767 32.500 0.047 0.000 0.901 956 K HN 0.447 nan 8.250 nan 0.000 0.475 957 P HA -0.054 nan 4.420 nan 0.000 0.270 957 P C -0.678 176.632 177.300 0.017 0.000 1.223 957 P CA -0.264 62.854 63.100 0.030 0.000 0.785 957 P CB 0.584 32.249 31.700 -0.057 0.000 0.923 958 D N 0.475 120.884 120.400 0.015 0.000 2.351 958 D HA 0.011 4.522 4.640 -0.216 0.000 0.251 958 D C 0.884 177.192 176.300 0.012 0.000 1.137 958 D CA 0.090 54.104 54.000 0.023 0.000 0.879 958 D CB 0.658 41.482 40.800 0.040 0.000 1.181 958 D HN 0.187 nan 8.370 nan 0.000 0.448 959 Q N 1.715 121.522 119.800 0.012 0.000 2.472 959 Q HA -0.018 4.192 4.340 -0.216 0.000 0.208 959 Q C 0.636 176.645 176.000 0.014 0.000 0.958 959 Q CA 0.495 56.302 55.803 0.007 0.000 0.932 959 Q CB 0.315 29.054 28.738 0.002 0.000 1.007 959 Q HN 0.571 nan 8.270 nan 0.000 0.508 960 D N 0.738 121.152 120.400 0.023 0.000 2.149 960 D HA -0.202 4.308 4.640 -0.216 0.000 0.198 960 D C 1.358 177.679 176.300 0.035 0.000 0.990 960 D CA 1.117 55.135 54.000 0.030 0.000 0.839 960 D CB -0.022 40.800 40.800 0.037 0.000 0.948 960 D HN 0.232 nan 8.370 nan 0.000 0.460 961 Q N -0.441 119.380 119.800 0.036 0.000 2.364 961 Q HA -0.023 4.187 4.340 -0.216 0.000 0.209 961 Q C 1.932 177.948 176.000 0.026 0.000 0.977 961 Q CA 0.465 56.293 55.803 0.042 0.000 0.885 961 Q CB 0.001 28.757 28.738 0.030 0.000 0.941 961 Q HN 0.359 nan 8.270 nan 0.000 0.464 962 L N -0.411 120.820 121.223 0.013 0.000 2.240 962 L HA 0.027 4.238 4.340 -0.216 0.000 0.211 962 L C 0.776 177.659 176.870 0.022 0.000 1.106 962 L CA -0.157 54.688 54.840 0.010 0.000 0.793 962 L CB -0.147 41.913 42.059 0.002 0.000 0.927 962 L HN 0.041 nan 8.230 nan 0.000 0.446 963 A N 1.310 124.147 122.820 0.029 0.000 2.396 963 A HA 0.325 4.516 4.320 -0.216 0.000 0.279 963 A C 0.057 177.666 177.584 0.042 0.000 1.165 963 A CA -0.255 51.805 52.037 0.037 0.000 0.824 963 A CB -0.218 18.803 19.000 0.036 0.000 1.100 963 A HN 0.431 nan 8.150 nan 0.000 0.516 964 E N 1.847 122.075 120.200 0.046 0.000 2.355 964 E HA 0.502 4.723 4.350 -0.216 0.000 0.261 964 E C -0.502 176.138 176.600 0.067 0.000 0.943 964 E CA -1.018 55.406 56.400 0.039 0.000 0.806 964 E CB 0.837 30.539 29.700 0.003 0.000 1.286 964 E HN 0.560 nan 8.360 nan 0.000 0.424 965 E N 0.975 121.209 120.200 0.057 0.000 2.351 965 E HA -0.012 4.208 4.350 -0.216 0.000 0.266 965 E C -1.219 175.474 176.600 0.154 0.000 1.031 965 E CA -0.388 56.073 56.400 0.101 0.000 0.911 965 E CB 0.450 30.190 29.700 0.066 0.000 0.986 965 E HN 0.470 nan 8.360 nan 0.000 0.446 966 W N 6.491 127.807 121.300 0.026 0.000 2.308 966 W HA 0.173 4.703 4.660 -0.216 0.000 0.324 966 W C -0.730 175.819 176.519 0.051 0.000 1.387 966 W CA -0.104 57.268 57.345 0.044 0.000 1.250 966 W CB 0.328 29.805 29.460 0.027 0.000 1.257 966 W HN 0.398 nan 8.180 nan 0.000 0.554 967 I N 8.137 128.442 120.570 -0.442 0.000 2.448 967 I HA 0.345 4.386 4.170 -0.216 0.000 0.281 967 I C 0.852 176.409 176.117 -0.933 0.000 1.027 967 I CA -0.893 60.142 61.300 -0.442 0.000 1.111 967 I CB 0.534 38.453 38.000 -0.136 0.000 1.236 967 I HN 0.563 nan 8.210 nan 0.000 0.452 968 G N 5.700 113.837 108.800 -1.105 0.000 2.528 968 G HA2 0.485 4.315 3.960 -0.216 0.000 0.289 968 G HA3 0.485 4.315 3.960 -0.216 0.000 0.289 968 G C -2.578 172.066 174.900 -0.426 0.000 1.192 968 G CA -1.371 43.140 45.100 -0.981 0.000 0.921 968 G HN 0.321 nan 8.290 nan 0.000 0.512 969 P HA -0.074 nan 4.420 nan 0.000 0.260 969 P C 0.631 177.833 177.300 -0.163 0.000 1.147 969 P CA 0.505 63.472 63.100 -0.221 0.000 0.758 969 P CB 0.436 32.045 31.700 -0.152 0.000 0.744 970 R N 1.710 122.114 120.500 -0.160 0.000 2.127 970 R HA -0.024 4.187 4.340 -0.216 0.000 0.217 970 R C 0.788 177.038 176.300 -0.085 0.000 1.074 970 R CA 0.948 56.980 56.100 -0.113 0.000 0.991 970 R CB -0.206 30.026 30.300 -0.112 0.000 0.895 970 R HN 0.646 nan 8.270 nan 0.000 0.450 971 N N -1.957 116.688 118.700 -0.092 0.000 2.629 971 N HA 0.182 4.792 4.740 -0.216 0.000 0.279 971 N C 0.382 175.851 175.510 -0.069 0.000 1.344 971 N CA -0.023 52.984 53.050 -0.072 0.000 0.789 971 N CB 0.355 38.798 38.487 -0.072 0.000 1.508 971 N HN -0.130 nan 8.380 nan 0.000 0.516 972 E N 0.000 120.168 120.200 -0.054 0.000 2.153 972 E HA -0.191 4.029 4.350 -0.216 0.000 0.194 972 E C 1.550 178.118 176.600 -0.053 0.000 0.988 972 E CA 1.725 58.097 56.400 -0.046 0.000 0.811 972 E CB -0.728 28.950 29.700 -0.037 0.000 0.746 972 E HN 0.719 nan 8.360 nan 0.000 0.466 973 M N 0.080 119.643 119.600 -0.062 0.000 2.126 973 M HA -0.207 4.143 4.480 -0.216 0.000 0.259 973 M C 2.223 178.471 176.300 -0.087 0.000 1.073 973 M CA 2.638 57.898 55.300 -0.066 0.000 1.103 973 M CB -0.167 32.391 32.600 -0.069 0.000 1.284 973 M HN 0.355 nan 8.290 nan 0.000 0.420 974 E N -0.091 120.039 120.200 -0.117 0.000 2.160 974 E HA -0.258 3.962 4.350 -0.216 0.000 0.195 974 E C 1.903 178.405 176.600 -0.163 0.000 0.991 974 E CA 1.494 57.792 56.400 -0.170 0.000 0.810 974 E CB -0.175 29.401 29.700 -0.208 0.000 0.742 974 E HN 0.563 nan 8.360 nan 0.000 0.466 975 E N 0.540 120.672 120.200 -0.114 0.000 2.023 975 E HA -0.195 4.026 4.350 -0.216 0.000 0.196 975 E C 2.147 178.711 176.600 -0.060 0.000 1.003 975 E CA 2.402 58.754 56.400 -0.080 0.000 0.809 975 E CB -0.501 29.169 29.700 -0.049 0.000 0.755 975 E HN 0.324 nan 8.360 nan 0.000 0.449 976 T N -0.499 114.027 114.554 -0.047 0.000 2.833 976 T HA -0.166 4.054 4.350 -0.216 0.000 0.269 976 T C 2.133 176.821 174.700 -0.020 0.000 1.054 976 T CA 1.441 63.527 62.100 -0.024 0.000 1.135 976 T CB -0.721 68.137 68.868 -0.018 0.000 0.869 976 T HN 0.462 nan 8.240 nan 0.000 0.466 977 I N -0.344 120.192 120.570 -0.057 0.000 2.876 977 I HA 0.351 4.391 4.170 -0.216 0.000 0.264 977 I C 2.421 178.462 176.117 -0.126 0.000 1.204 977 I CA 0.757 62.023 61.300 -0.055 0.000 1.485 977 I CB -0.415 37.532 38.000 -0.088 0.000 1.103 977 I HN 0.232 nan 8.210 nan 0.000 0.446 978 A N 0.523 123.233 122.820 -0.184 0.000 2.072 978 A HA -0.077 4.114 4.320 -0.216 0.000 0.216 978 A C 2.191 179.784 177.584 0.016 0.000 1.156 978 A CA 0.954 52.878 52.037 -0.188 0.000 0.701 978 A CB -0.358 18.520 19.000 -0.203 0.000 0.816 978 A HN 0.532 nan 8.150 nan 0.000 0.458 979 Q N 0.533 120.347 119.800 0.024 0.000 2.020 979 Q HA -0.161 4.049 4.340 -0.216 0.000 0.202 979 Q C 1.981 178.041 176.000 0.101 0.000 0.982 979 Q CA 2.301 58.137 55.803 0.055 0.000 0.838 979 Q CB -0.514 28.244 28.738 0.033 0.000 0.899 979 Q HN 0.830 nan 8.270 nan 0.000 0.423 980 I N -3.003 117.643 120.570 0.127 0.000 2.226 980 I HA -0.177 3.863 4.170 -0.216 0.000 0.245 980 I C 1.488 177.736 176.117 0.217 0.000 1.100 980 I CA 1.098 62.484 61.300 0.143 0.000 1.374 980 I CB -0.693 37.380 38.000 0.123 0.000 1.057 980 I HN 0.176 nan 8.210 nan 0.000 0.413 981 W N 1.720 123.023 121.300 0.004 0.000 2.317 981 W HA -0.234 4.296 4.660 -0.216 0.000 0.318 981 W C 3.309 179.829 176.519 0.001 0.000 1.227 981 W CA 2.173 59.542 57.345 0.040 0.000 1.269 981 W CB -1.291 28.195 29.460 0.044 0.000 1.155 981 W HN 0.231 nan 8.180 nan 0.000 0.484 982 S N -0.304 115.542 115.700 0.244 0.000 2.353 982 S HA -0.221 4.120 4.470 -0.216 0.000 0.222 982 S C 1.890 176.529 174.600 0.066 0.000 1.035 982 S CA 1.714 59.990 58.200 0.125 0.000 1.025 982 S CB -0.420 62.840 63.200 0.100 0.000 0.902 982 S HN 0.197 nan 8.310 nan 0.000 0.440 983 E N 0.309 120.548 120.200 0.066 0.000 2.038 983 E HA -0.114 4.107 4.350 -0.216 0.000 0.195 983 E C 2.274 178.877 176.600 0.006 0.000 1.000 983 E CA 1.469 57.888 56.400 0.033 0.000 0.803 983 E CB -0.629 29.092 29.700 0.036 0.000 0.750 983 E HN 0.435 nan 8.360 nan 0.000 0.448 984 V N 1.451 121.367 119.914 0.004 0.000 2.270 984 V HA -0.227 3.763 4.120 -0.216 0.000 0.245 984 V C 2.450 178.479 176.094 -0.108 0.000 1.043 984 V CA 1.460 63.732 62.300 -0.047 0.000 1.014 984 V CB -0.420 31.372 31.823 -0.051 0.000 0.645 984 V HN 0.216 nan 8.190 nan 0.000 0.447 985 L N 0.263 121.401 121.223 -0.141 0.000 2.492 985 L HA 0.253 4.464 4.340 -0.216 0.000 0.223 985 L C 1.568 178.367 176.870 -0.117 0.000 1.132 985 L CA 0.784 55.489 54.840 -0.225 0.000 0.850 985 L CB -0.784 41.080 42.059 -0.326 0.000 0.966 985 L HN 0.581 nan 8.230 nan 0.000 0.454 986 G N 1.632 110.399 108.800 -0.055 0.000 2.298 986 G HA2 -0.278 3.552 3.960 -0.216 0.000 0.287 986 G HA3 -0.278 3.552 3.960 -0.216 0.000 0.287 986 G C -0.027 174.862 174.900 -0.018 0.000 1.075 986 G CA -0.039 45.045 45.100 -0.027 0.000 0.960 986 G HN 0.446 nan 8.290 nan 0.000 0.502 987 R N -0.922 119.578 120.500 -0.001 0.000 2.522 987 R HA 0.477 4.687 4.340 -0.216 0.000 0.283 987 R C -0.318 176.008 176.300 0.043 0.000 1.074 987 R CA -1.071 55.036 56.100 0.011 0.000 0.925 987 R CB 1.700 31.999 30.300 -0.001 0.000 1.205 987 R HN 0.117 nan 8.270 nan 0.000 0.436 988 K N 0.968 121.388 120.400 0.034 0.000 2.090 988 K HA 0.204 4.395 4.320 -0.216 0.000 0.249 988 K C -0.518 176.118 176.600 0.060 0.000 0.995 988 K CA -0.070 56.243 56.287 0.044 0.000 0.914 988 K CB 0.779 33.289 32.500 0.018 0.000 1.057 988 K HN 0.479 nan 8.250 nan 0.000 0.462 989 Q N 0.847 120.701 119.800 0.089 0.000 2.451 989 Q HA -0.192 4.018 4.340 -0.216 0.000 0.334 989 Q C -1.038 175.169 176.000 0.346 0.000 1.462 989 Q CA 0.432 56.313 55.803 0.131 0.000 0.876 989 Q CB -1.461 27.203 28.738 -0.124 0.000 1.125 989 Q HN 0.421 nan 8.270 nan 0.000 0.358 990 I N 0.390 121.194 120.570 0.389 0.000 2.336 990 I HA 0.487 4.527 4.170 -0.216 0.000 0.292 990 I C 1.181 177.414 176.117 0.194 0.000 0.991 990 I CA -0.506 60.981 61.300 0.311 0.000 1.227 990 I CB 1.495 39.589 38.000 0.156 0.000 1.366 990 I HN 0.265 nan 8.210 nan 0.000 0.466 991 G N 5.458 114.271 108.800 0.021 0.000 2.477 991 G HA2 0.358 4.188 3.960 -0.216 0.000 0.304 991 G HA3 0.358 4.188 3.960 -0.216 0.000 0.304 991 G C 0.945 175.575 174.900 -0.450 0.000 1.175 991 G CA -0.644 44.050 45.100 -0.677 0.000 0.907 991 G HN 0.750 nan 8.290 nan 0.000 0.509 992 I N -1.301 118.926 120.570 -0.572 0.000 3.444 992 I HA 0.059 4.100 4.170 -0.216 0.000 0.287 992 I C 0.315 176.071 176.117 -0.601 0.000 1.302 992 I CA 0.797 61.742 61.300 -0.590 0.000 1.368 992 I CB -0.682 36.953 38.000 -0.608 0.000 1.048 992 I HN 0.424 nan 8.210 nan 0.000 0.487 993 H N 0.705 119.665 119.070 -0.184 0.000 2.755 993 H HA 0.309 4.736 4.556 -0.216 0.000 0.273 993 H C -0.316 175.018 175.328 0.009 0.000 1.055 993 H CA -0.418 55.587 56.048 -0.072 0.000 1.191 993 H CB 0.474 30.201 29.762 -0.059 0.000 1.536 993 H HN 0.346 nan 8.280 nan 0.000 0.529 994 D N 1.957 122.415 120.400 0.096 0.000 2.389 994 D HA -0.000 4.510 4.640 -0.216 0.000 0.247 994 D C 0.164 176.612 176.300 0.248 0.000 1.128 994 D CA 0.301 54.402 54.000 0.168 0.000 0.884 994 D CB 1.212 42.117 40.800 0.176 0.000 1.194 994 D HN 0.274 nan 8.370 nan 0.000 0.441 995 D N 0.907 121.447 120.400 0.234 0.000 2.308 995 D HA -0.000 4.510 4.640 -0.216 0.000 0.251 995 D C 0.834 177.263 176.300 0.215 0.000 1.127 995 D CA -0.389 53.771 54.000 0.267 0.000 0.876 995 D CB 0.503 41.445 40.800 0.238 0.000 1.176 995 D HN 0.203 nan 8.370 nan 0.000 0.446 996 F N 3.519 123.445 119.950 -0.039 0.000 2.102 996 F HA -0.104 4.293 4.527 -0.216 0.000 0.298 996 F C 1.085 176.557 175.800 -0.547 0.000 1.105 996 F CA 1.482 59.166 58.000 -0.528 0.000 1.239 996 F CB -0.104 38.177 39.000 -1.198 0.000 0.991 996 F HN 0.478 nan 8.300 nan 0.000 0.474 997 F N -0.141 119.810 119.950 0.001 0.000 2.416 997 F HA 0.153 4.551 4.527 -0.216 0.000 0.296 997 F C 2.450 178.228 175.800 -0.037 0.000 1.099 997 F CA 0.648 58.622 58.000 -0.043 0.000 1.427 997 F CB -1.240 37.834 39.000 0.124 0.000 1.079 997 F HN 0.014 nan 8.300 nan 0.000 0.536 998 A N 0.202 123.121 122.820 0.165 0.000 2.019 998 A HA -0.063 4.127 4.320 -0.216 0.000 0.219 998 A C 1.974 179.574 177.584 0.026 0.000 1.164 998 A CA 1.038 53.140 52.037 0.109 0.000 0.644 998 A CB -0.813 18.265 19.000 0.132 0.000 0.805 998 A HN 0.403 nan 8.150 nan 0.000 0.449 999 L N -1.459 119.725 121.223 -0.065 0.000 2.612 999 L HA 0.182 4.392 4.340 -0.216 0.000 0.230 999 L C 1.575 178.334 176.870 -0.186 0.000 1.140 999 L CA 0.745 55.518 54.840 -0.112 0.000 0.896 999 L CB -0.286 41.698 42.059 -0.125 0.000 1.065 999 L HN 0.619 nan 8.230 nan 0.000 0.447 1000 G N -0.640 108.057 108.800 -0.173 0.000 2.211 1000 G HA2 -0.199 3.631 3.960 -0.216 0.000 0.201 1000 G HA3 -0.199 3.631 3.960 -0.216 0.000 0.201 1000 G C 0.666 175.416 174.900 -0.250 0.000 0.997 1000 G CA -0.303 44.710 45.100 -0.146 0.000 0.652 1000 G HN 0.478 nan 8.290 nan 0.000 0.500 1001 G N 0.110 108.581 108.800 -0.548 0.000 2.690 1001 G HA2 0.622 4.452 3.960 -0.216 0.000 0.239 1001 G HA3 0.622 4.452 3.960 -0.216 0.000 0.239 1001 G C 0.083 174.979 174.900 -0.006 0.000 1.233 1001 G CA 1.153 45.770 45.100 -0.805 0.000 0.847 1001 G HN 1.792 nan 8.290 nan 0.000 0.588 1002 H N -2.974 116.281 119.070 0.307 0.000 3.234 1002 H HA 0.678 5.104 4.556 -0.216 0.000 0.280 1002 H C 1.255 176.947 175.328 0.607 0.000 1.601 1002 H CA 0.168 56.528 56.048 0.520 0.000 1.198 1002 H CB 0.341 30.267 29.762 0.274 0.000 1.840 1002 H HN 0.688 nan 8.280 nan 0.000 0.681 1003 A N 0.355 123.714 122.820 0.898 0.000 1.848 1003 A HA -0.215 3.976 4.320 -0.216 0.000 0.217 1003 A C 2.204 180.128 177.584 0.567 0.000 1.220 1003 A CA 2.980 55.504 52.037 0.811 0.000 0.645 1003 A CB -1.206 18.183 19.000 0.648 0.000 0.842 1003 A HN 0.706 nan 8.150 nan 0.000 0.451 1004 L N -0.313 121.222 121.223 0.520 0.000 2.012 1004 L HA -0.171 4.039 4.340 -0.216 0.000 0.210 1004 L C 2.301 179.175 176.870 0.007 0.000 1.073 1004 L CA 2.592 57.520 54.840 0.146 0.000 0.748 1004 L CB -0.551 41.478 42.059 -0.050 0.000 0.891 1004 L HN 0.410 nan 8.230 nan 0.000 0.431 1005 K N -0.366 120.042 120.400 0.015 0.000 2.057 1005 K HA -0.121 4.069 4.320 -0.216 0.000 0.207 1005 K C 2.129 178.632 176.600 -0.163 0.000 1.049 1005 K CA 1.288 57.509 56.287 -0.111 0.000 0.931 1005 K CB -0.483 31.851 32.500 -0.275 0.000 0.714 1005 K HN 0.514 nan 8.250 nan 0.000 0.440 1006 A N 1.632 124.320 122.820 -0.220 0.000 1.903 1006 A HA -0.253 3.937 4.320 -0.216 0.000 0.219 1006 A C 2.179 179.372 177.584 -0.650 0.000 1.191 1006 A CA 1.967 53.488 52.037 -0.859 0.000 0.638 1006 A CB -0.538 17.871 19.000 -0.985 0.000 0.823 1006 A HN 0.210 nan 8.150 nan 0.000 0.451 1007 M N -1.620 117.773 119.600 -0.346 0.000 2.062 1007 M HA -0.112 4.239 4.480 -0.216 0.000 0.259 1007 M C 2.333 178.495 176.300 -0.231 0.000 1.076 1007 M CA 1.999 57.148 55.300 -0.252 0.000 1.122 1007 M CB -0.912 31.610 32.600 -0.131 0.000 1.312 1007 M HN 0.386 nan 8.290 nan 0.000 0.412 1008 T N 0.990 115.422 114.554 -0.203 0.000 2.751 1008 T HA -0.210 4.011 4.350 -0.216 0.000 0.268 1008 T C 1.727 176.329 174.700 -0.163 0.000 1.045 1008 T CA 1.673 63.671 62.100 -0.169 0.000 1.142 1008 T CB -0.347 68.423 68.868 -0.163 0.000 0.851 1008 T HN 0.516 nan 8.240 nan 0.000 0.474 1009 A N 1.053 123.726 122.820 -0.245 0.000 1.872 1009 A HA 0.342 4.532 4.320 -0.216 0.000 0.214 1009 A C 2.599 180.052 177.584 -0.218 0.000 1.187 1009 A CA 1.456 53.336 52.037 -0.262 0.000 0.614 1009 A CB -0.997 17.695 19.000 -0.513 0.000 0.826 1009 A HN 0.495 nan 8.150 nan 0.000 0.442 1010 A N -0.263 122.383 122.820 -0.290 0.000 2.125 1010 A HA -0.029 4.161 4.320 -0.216 0.000 0.219 1010 A C 2.360 179.876 177.584 -0.113 0.000 1.156 1010 A CA 2.014 53.929 52.037 -0.203 0.000 0.671 1010 A CB -0.649 18.196 19.000 -0.259 0.000 0.794 1010 A HN 0.723 nan 8.150 nan 0.000 0.459 1011 S N -0.406 115.230 115.700 -0.106 0.000 2.388 1011 S HA -0.079 4.261 4.470 -0.216 0.000 0.223 1011 S C 2.054 176.641 174.600 -0.023 0.000 1.034 1011 S CA 0.810 58.980 58.200 -0.050 0.000 0.963 1011 S CB -0.350 62.820 63.200 -0.050 0.000 0.827 1011 S HN 0.609 nan 8.310 nan 0.000 0.481 1012 R N 0.526 121.008 120.500 -0.031 0.000 2.148 1012 R HA -0.001 4.210 4.340 -0.216 0.000 0.227 1012 R C 2.247 178.553 176.300 0.010 0.000 1.103 1012 R CA 1.476 57.573 56.100 -0.004 0.000 0.983 1012 R CB -0.593 29.707 30.300 -0.001 0.000 0.874 1012 R HN 0.713 nan 8.270 nan 0.000 0.451 1013 I N -1.185 119.389 120.570 0.006 0.000 2.617 1013 I HA 0.004 4.045 4.170 -0.216 0.000 0.256 1013 I C 1.310 177.440 176.117 0.021 0.000 1.167 1013 I CA 1.265 62.575 61.300 0.016 0.000 1.469 1013 I CB -0.659 37.351 38.000 0.017 0.000 1.098 1013 I HN -0.232 nan 8.210 nan 0.000 0.436 1014 K N 1.370 121.781 120.400 0.018 0.000 2.737 1014 K HA 0.747 4.938 4.320 -0.216 0.000 0.251 1014 K C 0.789 177.416 176.600 0.046 0.000 1.280 1014 K CA 0.697 57.007 56.287 0.039 0.000 1.219 1014 K CB -1.613 30.912 32.500 0.040 0.000 1.587 1014 K HN 0.851 nan 8.250 nan 0.000 0.279 1015 K N -0.038 120.387 120.400 0.042 0.000 8.078 1015 K HA -0.152 4.038 4.320 -0.216 0.000 0.190 1015 K C 0.197 176.817 176.600 0.033 0.000 1.599 1015 K CA 0.569 56.881 56.287 0.042 0.000 0.932 1015 K CB -1.945 30.583 32.500 0.047 0.000 0.361 1015 K HN 1.338 nan 8.250 nan 0.000 0.423 1016 E N 2.986 123.205 120.200 0.032 0.000 3.010 1016 E HA 0.177 4.397 4.350 -0.216 0.000 0.221 1016 E C -0.164 176.451 176.600 0.024 0.000 1.162 1016 E CA 0.978 57.395 56.400 0.028 0.000 0.916 1016 E CB -1.462 28.254 29.700 0.027 0.000 1.029 1016 E HN 1.207 nan 8.360 nan 0.000 0.509 1017 L N 0.891 122.128 121.223 0.024 0.000 3.571 1017 L HA -0.259 3.951 4.340 -0.216 0.000 0.630 1017 L C 0.481 177.364 176.870 0.021 0.000 1.265 1017 L CA 0.666 55.519 54.840 0.021 0.000 0.998 1017 L CB -2.083 39.988 42.059 0.021 0.000 1.574 1017 L HN 0.894 nan 8.230 nan 0.000 0.867 1018 G N 0.435 109.247 108.800 0.021 0.000 2.393 1018 G HA2 0.506 4.336 3.960 -0.216 0.000 0.264 1018 G HA3 0.506 4.336 3.960 -0.216 0.000 0.264 1018 G C -0.545 174.368 174.900 0.022 0.000 1.221 1018 G CA 0.147 45.259 45.100 0.019 0.000 0.912 1018 G HN 0.160 nan 8.290 nan 0.000 0.483 1019 I N 0.545 121.130 120.570 0.026 0.000 3.439 1019 I HA 0.297 4.337 4.170 -0.216 0.000 0.321 1019 I C -0.897 175.248 176.117 0.048 0.000 1.435 1019 I CA 0.418 61.737 61.300 0.032 0.000 0.914 1019 I CB -0.314 37.695 38.000 0.016 0.000 1.807 1019 I HN 0.723 nan 8.210 nan 0.000 0.681 1020 D N 2.213 122.644 120.400 0.052 0.000 9.880 1020 D HA -0.087 4.423 4.640 -0.216 0.000 0.292 1020 D C -1.740 174.596 176.300 0.061 0.000 2.792 1020 D CA 0.747 54.788 54.000 0.069 0.000 2.581 1020 D CB 0.118 40.986 40.800 0.112 0.000 1.070 1020 D HN 0.227 nan 8.370 nan 0.000 0.795 1021 L N 3.830 125.080 121.223 0.044 0.000 2.700 1021 L HA 0.479 4.690 4.340 -0.216 0.000 0.255 1021 L C -2.345 174.522 176.870 -0.005 0.000 0.933 1021 L CA -1.048 53.813 54.840 0.035 0.000 0.920 1021 L CB 1.912 43.986 42.059 0.026 0.000 1.472 1021 L HN 0.345 nan 8.230 nan 0.000 0.426 1022 P HA -0.081 nan 4.420 nan 0.000 0.258 1022 P C 1.058 178.299 177.300 -0.098 0.000 1.136 1022 P CA 0.478 63.566 63.100 -0.020 0.000 0.761 1022 P CB 0.262 31.951 31.700 -0.018 0.000 0.724 1023 V N 2.608 122.457 119.914 -0.108 0.000 2.249 1023 V HA -0.092 3.898 4.120 -0.216 0.000 0.239 1023 V C 1.398 177.343 176.094 -0.249 0.000 1.038 1023 V CA 1.231 63.410 62.300 -0.200 0.000 1.005 1023 V CB -1.129 30.555 31.823 -0.230 0.000 0.646 1023 V HN 0.367 nan 8.190 nan 0.000 0.455 1024 K N 0.544 120.758 120.400 -0.309 0.000 2.989 1024 K HA 0.237 4.427 4.320 -0.216 0.000 0.264 1024 K C -0.298 176.334 176.600 0.053 0.000 1.228 1024 K CA 0.024 56.242 56.287 -0.116 0.000 1.186 1024 K CB -0.421 31.900 32.500 -0.299 0.000 1.409 1024 K HN 0.444 nan 8.250 nan 0.000 0.271 1025 L N 2.469 123.671 121.223 -0.034 0.000 3.447 1025 L HA 0.136 4.346 4.340 -0.216 0.000 0.353 1025 L C -0.272 176.480 176.870 -0.197 0.000 1.338 1025 L CA 0.143 54.941 54.840 -0.070 0.000 0.899 1025 L CB 0.776 42.749 42.059 -0.143 0.000 1.332 1025 L HN 0.328 nan 8.230 nan 0.000 0.608 1026 L N -1.638 119.413 121.223 -0.286 0.000 2.638 1026 L HA 0.300 4.510 4.340 -0.216 0.000 0.232 1026 L C 1.630 178.383 176.870 -0.195 0.000 1.099 1026 L CA 1.068 55.676 54.840 -0.387 0.000 0.883 1026 L CB -0.074 41.521 42.059 -0.772 0.000 1.136 1026 L HN 0.197 nan 8.230 nan 0.000 0.492 1027 F N 0.008 120.026 119.950 0.113 0.000 2.113 1027 F HA -0.156 4.241 4.527 -0.216 0.000 0.297 1027 F C 2.452 178.319 175.800 0.112 0.000 1.103 1027 F CA 1.276 59.382 58.000 0.176 0.000 1.248 1027 F CB -0.610 38.418 39.000 0.048 0.000 0.999 1027 F HN 0.086 nan 8.300 nan 0.000 0.475 1028 E N 1.264 121.609 120.200 0.241 0.000 2.026 1028 E HA -0.193 4.027 4.350 -0.216 0.000 0.206 1028 E C 0.724 177.387 176.600 0.105 0.000 1.028 1028 E CA 1.559 58.036 56.400 0.129 0.000 0.845 1028 E CB -0.353 29.365 29.700 0.030 0.000 0.772 1028 E HN 0.196 nan 8.360 nan 0.000 0.462 1029 A N 0.310 123.145 122.820 0.026 0.000 2.690 1029 A HA 0.333 4.524 4.320 -0.216 0.000 0.342 1029 A C -2.018 175.627 177.584 0.101 0.000 1.410 1029 A CA -1.111 50.953 52.037 0.045 0.000 0.958 1029 A CB 0.660 19.634 19.000 -0.044 0.000 1.153 1029 A HN 0.279 nan 8.150 nan 0.000 0.497 1030 P HA 0.062 nan 4.420 nan 0.000 0.251 1030 P C 0.403 177.933 177.300 0.384 0.000 1.223 1030 P CA 0.740 64.000 63.100 0.267 0.000 0.796 1030 P CB 0.475 32.389 31.700 0.358 0.000 1.068 1031 T N 0.341 115.061 114.554 0.277 0.000 2.855 1031 T HA 0.379 4.599 4.350 -0.216 0.000 0.281 1031 T C 1.496 176.204 174.700 0.013 0.000 1.007 1031 T CA -0.474 61.730 62.100 0.173 0.000 1.009 1031 T CB 1.088 70.023 68.868 0.111 0.000 0.983 1031 T HN -0.194 nan 8.240 nan 0.000 0.455 1032 I N 2.020 122.415 120.570 -0.292 0.000 2.208 1032 I HA -0.191 3.850 4.170 -0.216 0.000 0.245 1032 I C 2.750 178.713 176.117 -0.256 0.000 1.097 1032 I CA 1.238 62.275 61.300 -0.438 0.000 1.363 1032 I CB -0.432 37.126 38.000 -0.737 0.000 1.051 1032 I HN 0.756 nan 8.210 nan 0.000 0.413 1033 A N 1.227 123.886 122.820 -0.268 0.000 1.892 1033 A HA -0.221 3.969 4.320 -0.216 0.000 0.218 1033 A C 2.454 180.001 177.584 -0.062 0.000 1.188 1033 A CA 2.245 54.165 52.037 -0.194 0.000 0.631 1033 A CB -1.577 17.278 19.000 -0.241 0.000 0.822 1033 A HN 0.476 nan 8.150 nan 0.000 0.447 1034 G N -0.279 108.517 108.800 -0.006 0.000 2.448 1034 G HA2 -0.147 3.684 3.960 -0.216 0.000 0.219 1034 G HA3 -0.147 3.684 3.960 -0.216 0.000 0.219 1034 G C 1.502 176.450 174.900 0.079 0.000 1.127 1034 G CA 1.121 46.259 45.100 0.062 0.000 0.766 1034 G HN 0.818 nan 8.290 nan 0.000 0.552 1035 I N 0.127 120.719 120.570 0.035 0.000 2.852 1035 I HA 0.011 4.051 4.170 -0.216 0.000 0.264 1035 I C 2.651 178.798 176.117 0.050 0.000 1.179 1035 I CA 1.496 62.823 61.300 0.045 0.000 1.480 1035 I CB -0.050 37.959 38.000 0.014 0.000 1.111 1035 I HN 0.192 nan 8.210 nan 0.000 0.441 1036 S N 1.770 117.462 115.700 -0.015 0.000 2.402 1036 S HA 0.016 4.356 4.470 -0.216 0.000 0.229 1036 S C 2.224 176.832 174.600 0.012 0.000 1.021 1036 S CA 0.721 58.907 58.200 -0.024 0.000 0.974 1036 S CB -0.582 62.569 63.200 -0.082 0.000 0.800 1036 S HN 0.567 nan 8.310 nan 0.000 0.484 1037 A N 0.968 123.808 122.820 0.034 0.000 1.877 1037 A HA -0.010 4.180 4.320 -0.216 0.000 0.216 1037 A C 2.060 179.695 177.584 0.085 0.000 1.186 1037 A CA 1.470 53.537 52.037 0.051 0.000 0.620 1037 A CB -1.407 17.633 19.000 0.066 0.000 0.822 1037 A HN 0.609 nan 8.150 nan 0.000 0.443 1038 Y N -0.239 120.062 120.300 0.002 0.000 2.165 1038 Y HA -0.113 4.308 4.550 -0.216 0.000 0.286 1038 Y C 1.787 177.686 175.900 -0.002 0.000 1.155 1038 Y CA 2.004 60.109 58.100 0.009 0.000 1.164 1038 Y CB -0.057 38.413 38.460 0.016 0.000 0.978 1038 Y HN 0.210 nan 8.280 nan 0.000 0.513 1039 L N -0.423 120.889 121.223 0.148 0.000 2.607 1039 L HA 0.041 4.251 4.340 -0.216 0.000 0.228 1039 L C 1.613 178.483 176.870 0.001 0.000 1.123 1039 L CA 0.092 54.973 54.840 0.069 0.000 0.890 1039 L CB 0.034 42.151 42.059 0.096 0.000 1.103 1039 L HN 0.025 nan 8.230 nan 0.000 0.468 1040 K N -0.791 119.603 120.400 -0.011 0.000 2.306 1040 K HA 0.188 4.378 4.320 -0.216 0.000 0.200 1040 K C 1.302 177.879 176.600 -0.039 0.000 1.083 1040 K CA 0.323 56.592 56.287 -0.030 0.000 0.959 1040 K CB 0.097 32.578 32.500 -0.030 0.000 0.994 1040 K HN 0.148 nan 8.250 nan 0.000 0.492 1041 N N 0.561 119.237 118.700 -0.040 0.000 2.300 1041 N HA -0.050 4.560 4.740 -0.216 0.000 0.179 1041 N C 1.298 176.758 175.510 -0.084 0.000 1.016 1041 N CA 1.212 54.233 53.050 -0.050 0.000 0.876 1041 N CB 0.289 38.754 38.487 -0.036 0.000 0.979 1041 N HN 0.267 nan 8.380 nan 0.000 0.432 1042 G N -0.851 107.867 108.800 -0.136 0.000 4.110 1042 G HA2 0.334 4.164 3.960 -0.216 0.000 0.292 1042 G HA3 0.334 4.164 3.960 -0.216 0.000 0.292 1042 G C 0.851 175.636 174.900 -0.190 0.000 1.020 1042 G CA 0.207 45.184 45.100 -0.205 0.000 0.808 1042 G HN 0.300 nan 8.290 nan 0.000 0.474 1043 G N 0.731 109.472 108.800 -0.098 0.000 2.620 1043 G HA2 0.389 4.219 3.960 -0.216 0.000 0.200 1043 G HA3 0.389 4.219 3.960 -0.216 0.000 0.200 1043 G C 0.269 175.152 174.900 -0.029 0.000 1.710 1043 G CA 0.441 45.517 45.100 -0.040 0.000 0.919 1043 G HN 0.344 nan 8.290 nan 0.000 0.455 1044 S N -0.374 115.309 115.700 -0.029 0.000 2.599 1044 S HA 0.475 4.816 4.470 -0.216 0.000 0.294 1044 S C -1.601 172.968 174.600 -0.052 0.000 1.094 1044 S CA -0.434 57.749 58.200 -0.028 0.000 0.931 1044 S CB 1.527 64.708 63.200 -0.031 0.000 1.093 1044 S HN 0.433 nan 8.310 nan 0.000 0.488 1045 D N 1.324 121.696 120.400 -0.046 0.000 4.755 1045 D HA 0.044 4.554 4.640 -0.216 0.000 0.197 1045 D C 0.311 176.571 176.300 -0.067 0.000 1.031 1045 D CA 2.009 55.968 54.000 -0.068 0.000 1.058 1045 D CB -0.593 40.110 40.800 -0.163 0.000 0.992 1045 D HN 0.810 nan 8.370 nan 0.000 0.549 1046 G N 0.085 108.870 108.800 -0.026 0.000 2.529 1046 G HA2 0.331 4.162 3.960 -0.216 0.000 0.238 1046 G HA3 0.331 4.162 3.960 -0.216 0.000 0.238 1046 G C 0.618 175.525 174.900 0.013 0.000 1.207 1046 G CA -0.264 44.824 45.100 -0.020 0.000 0.928 1046 G HN 0.527 nan 8.290 nan 0.000 0.495 1047 L N -1.250 119.977 121.223 0.007 0.000 2.261 1047 L HA 0.255 4.465 4.340 -0.216 0.000 0.216 1047 L C 2.063 178.944 176.870 0.020 0.000 1.114 1047 L CA 2.566 57.417 54.840 0.018 0.000 0.777 1047 L CB -0.517 41.546 42.059 0.007 0.000 0.910 1047 L HN 0.518 nan 8.230 nan 0.000 0.440 1048 Q N -1.123 118.682 119.800 0.009 0.000 2.431 1048 Q HA -0.024 4.186 4.340 -0.216 0.000 0.244 1048 Q C 1.493 177.504 176.000 0.018 0.000 0.880 1048 Q CA 0.445 56.251 55.803 0.005 0.000 0.954 1048 Q CB 0.425 29.151 28.738 -0.020 0.000 1.105 1048 Q HN 0.550 nan 8.270 nan 0.000 0.558 1049 D N -0.320 120.094 120.400 0.024 0.000 2.110 1049 D HA -0.084 4.427 4.640 -0.216 0.000 0.202 1049 D C 0.251 176.603 176.300 0.086 0.000 0.975 1049 D CA 0.755 54.778 54.000 0.039 0.000 0.839 1049 D CB 0.452 41.267 40.800 0.024 0.000 0.996 1049 D HN 0.110 nan 8.370 nan 0.000 0.464 1050 V N 1.036 121.024 119.914 0.123 0.000 2.439 1050 V HA 0.299 4.290 4.120 -0.216 0.000 0.271 1050 V C 0.171 176.365 176.094 0.167 0.000 1.040 1050 V CA -0.749 61.681 62.300 0.216 0.000 1.002 1050 V CB 0.183 32.244 31.823 0.395 0.000 1.000 1050 V HN 0.062 nan 8.190 nan 0.000 0.477 1051 T N 6.780 121.410 114.554 0.128 0.000 2.939 1051 T HA 0.379 4.599 4.350 -0.216 0.000 0.319 1051 T C -0.012 174.714 174.700 0.043 0.000 1.082 1051 T CA 0.034 62.174 62.100 0.067 0.000 1.133 1051 T CB 0.357 69.253 68.868 0.047 0.000 1.019 1051 T HN 0.611 nan 8.240 nan 0.000 0.548 1052 I N 2.155 122.738 120.570 0.022 0.000 2.608 1052 I HA 0.522 4.563 4.170 -0.216 0.000 0.295 1052 I C -0.302 175.807 176.117 -0.013 0.000 1.049 1052 I CA -1.013 60.286 61.300 -0.002 0.000 1.063 1052 I CB 1.701 39.707 38.000 0.009 0.000 1.248 1052 I HN 0.657 nan 8.210 nan 0.000 0.424 1053 M N 3.215 122.797 119.600 -0.031 0.000 2.691 1053 M HA 0.430 4.781 4.480 -0.216 0.000 0.293 1053 M C -0.331 175.949 176.300 -0.033 0.000 1.259 1053 M CA -0.441 54.842 55.300 -0.028 0.000 0.827 1053 M CB 1.038 33.620 32.600 -0.030 0.000 1.753 1053 M HN 0.507 nan 8.290 nan 0.000 0.465 1054 N N 0.636 119.320 118.700 -0.025 0.000 2.641 1054 N HA -0.196 4.414 4.740 -0.216 0.000 0.267 1054 N C 0.017 175.511 175.510 -0.027 0.000 1.087 1054 N CA 0.185 53.220 53.050 -0.025 0.000 0.731 1054 N CB -0.629 37.844 38.487 -0.024 0.000 0.886 1054 N HN 0.679 nan 8.380 nan 0.000 0.547 1055 Q N 0.369 120.157 119.800 -0.020 0.000 2.061 1055 Q HA -0.106 4.105 4.340 -0.216 0.000 0.195 1055 Q C 0.896 176.886 176.000 -0.017 0.000 0.967 1055 Q CA 1.489 57.282 55.803 -0.017 0.000 0.829 1055 Q CB 0.023 28.756 28.738 -0.009 0.000 0.900 1055 Q HN 0.677 nan 8.270 nan 0.000 0.450 1056 D N -0.030 120.361 120.400 -0.015 0.000 2.676 1056 D HA -0.011 4.499 4.640 -0.216 0.000 0.239 1056 D C 0.836 177.123 176.300 -0.023 0.000 1.213 1056 D CA 0.130 54.121 54.000 -0.015 0.000 0.835 1056 D CB 0.301 41.096 40.800 -0.009 0.000 1.009 1056 D HN 0.019 nan 8.370 nan 0.000 0.479 1057 Q N 0.224 120.004 119.800 -0.033 0.000 2.496 1057 Q HA 0.264 4.474 4.340 -0.216 0.000 0.299 1057 Q C 0.831 176.803 176.000 -0.048 0.000 1.044 1057 Q CA 0.256 56.030 55.803 -0.049 0.000 0.700 1057 Q CB 0.776 29.472 28.738 -0.070 0.000 3.313 1057 Q HN 0.437 nan 8.270 nan 0.000 0.449 1058 E N -0.918 119.246 120.200 -0.061 0.000 2.428 1058 E HA -0.019 4.201 4.350 -0.216 0.000 0.285 1058 E C -0.840 175.730 176.600 -0.051 0.000 1.083 1058 E CA 0.037 56.409 56.400 -0.047 0.000 2.109 1058 E CB -0.065 29.607 29.700 -0.045 0.000 2.554 1058 E HN 0.188 nan 8.360 nan 0.000 1.108 1059 Q N 2.165 121.909 119.800 -0.093 0.000 2.282 1059 Q HA 0.196 4.407 4.340 -0.216 0.000 0.276 1059 Q C -0.385 175.641 176.000 0.044 0.000 1.198 1059 Q CA 0.506 56.281 55.803 -0.047 0.000 0.943 1059 Q CB 0.137 28.729 28.738 -0.244 0.000 1.275 1059 Q HN 0.267 nan 8.270 nan 0.000 0.424 1060 I N 3.787 124.347 120.570 -0.017 0.000 2.575 1060 I HA 0.169 4.210 4.170 -0.216 0.000 0.285 1060 I C 0.184 176.150 176.117 -0.252 0.000 1.085 1060 I CA -0.059 61.117 61.300 -0.207 0.000 1.403 1060 I CB 0.542 38.324 38.000 -0.365 0.000 1.409 1060 I HN 0.480 nan 8.210 nan 0.000 0.557 1061 I N 5.348 125.678 120.570 -0.400 0.000 2.646 1061 I HA 0.345 4.386 4.170 -0.216 0.000 0.299 1061 I C -1.056 174.701 176.117 -0.600 0.000 1.036 1061 I CA -0.515 60.562 61.300 -0.370 0.000 1.074 1061 I CB 2.051 39.894 38.000 -0.262 0.000 1.258 1061 I HN 0.319 nan 8.210 nan 0.000 0.430 1062 F N 3.996 123.912 119.950 -0.057 0.000 2.359 1062 F HA 0.579 4.976 4.527 -0.216 0.000 0.369 1062 F C 0.717 176.422 175.800 -0.158 0.000 1.084 1062 F CA -0.577 57.314 58.000 -0.181 0.000 1.096 1062 F CB 1.232 40.228 39.000 -0.007 0.000 1.335 1062 F HN 0.450 nan 8.300 nan 0.000 0.457 1063 A N 2.931 125.621 122.820 -0.216 0.000 2.296 1063 A HA 0.721 4.911 4.320 -0.216 0.000 0.264 1063 A C -1.075 176.480 177.584 -0.048 0.000 1.097 1063 A CA 0.029 52.082 52.037 0.027 0.000 0.811 1063 A CB 0.422 19.389 19.000 -0.055 0.000 1.072 1063 A HN 0.567 nan 8.150 nan 0.000 0.495 1064 F N -0.178 119.950 119.950 0.296 0.000 2.588 1064 F HA 0.528 4.926 4.527 -0.216 0.000 0.310 1064 F C -2.150 173.947 175.800 0.495 0.000 1.082 1064 F CA -1.963 56.227 58.000 0.317 0.000 0.929 1064 F CB 2.567 41.694 39.000 0.212 0.000 1.254 1064 F HN 0.338 nan 8.300 nan 0.000 0.455 1065 P HA 0.296 nan 4.420 nan 0.000 0.277 1065 P C -2.853 174.795 177.300 0.579 0.000 1.240 1065 P CA -1.628 61.745 63.100 0.455 0.000 0.798 1065 P CB 0.892 32.743 31.700 0.252 0.000 0.979 1066 P HA 0.021 nan 4.420 nan 0.000 0.289 1066 P C 1.228 178.783 177.300 0.425 0.000 1.299 1066 P CA -0.371 62.993 63.100 0.440 0.000 0.766 1066 P CB 0.219 32.191 31.700 0.454 0.000 1.226 1067 V N 0.096 120.096 119.914 0.143 0.000 2.370 1067 V HA -0.236 3.754 4.120 -0.216 0.000 0.252 1067 V C 1.906 178.120 176.094 0.201 0.000 1.068 1067 V CA 1.978 64.284 62.300 0.011 0.000 1.061 1067 V CB -1.303 30.492 31.823 -0.045 0.000 0.656 1067 V HN 0.313 nan 8.190 nan 0.000 0.455 1068 L N -0.035 121.302 121.223 0.189 0.000 2.291 1068 L HA 0.233 4.444 4.340 -0.216 0.000 0.214 1068 L C 1.953 178.883 176.870 0.099 0.000 1.120 1068 L CA 1.038 55.975 54.840 0.161 0.000 0.799 1068 L CB -0.689 41.471 42.059 0.169 0.000 0.925 1068 L HN 0.590 nan 8.230 nan 0.000 0.446 1069 G N -1.119 107.755 108.800 0.124 0.000 2.159 1069 G HA2 -0.278 3.553 3.960 -0.216 0.000 0.227 1069 G HA3 -0.278 3.553 3.960 -0.216 0.000 0.227 1069 G C -0.149 174.623 174.900 -0.213 0.000 0.986 1069 G CA -0.516 44.550 45.100 -0.057 0.000 0.651 1069 G HN 0.321 nan 8.290 nan 0.000 0.523 1070 Y N -0.293 120.078 120.300 0.118 0.000 2.338 1070 Y HA 0.492 4.913 4.550 -0.216 0.000 0.333 1070 Y C 1.531 177.396 175.900 -0.058 0.000 0.968 1070 Y CA -0.363 57.771 58.100 0.057 0.000 1.123 1070 Y CB 2.094 40.584 38.460 0.049 0.000 1.165 1070 Y HN 0.071 nan 8.280 nan 0.000 0.452 1071 G N 2.718 111.604 108.800 0.143 0.000 2.498 1071 G HA2 -0.178 3.652 3.960 -0.216 0.000 0.219 1071 G HA3 -0.178 3.652 3.960 -0.216 0.000 0.219 1071 G C 1.392 176.253 174.900 -0.064 0.000 1.119 1071 G CA 0.411 45.504 45.100 -0.011 0.000 0.766 1071 G HN 0.748 nan 8.290 nan 0.000 0.552 1072 L N -0.138 121.087 121.223 0.003 0.000 2.263 1072 L HA -0.137 4.074 4.340 -0.216 0.000 0.216 1072 L C 2.982 179.812 176.870 -0.066 0.000 1.111 1072 L CA 0.875 55.700 54.840 -0.025 0.000 0.773 1072 L CB -0.200 41.841 42.059 -0.031 0.000 0.906 1072 L HN 0.321 nan 8.230 nan 0.000 0.439 1073 M N -1.874 117.635 119.600 -0.151 0.000 2.200 1073 M HA -0.197 4.154 4.480 -0.216 0.000 0.265 1073 M C 1.833 178.064 176.300 -0.116 0.000 1.066 1073 M CA 1.737 56.938 55.300 -0.166 0.000 1.127 1073 M CB -0.379 32.088 32.600 -0.222 0.000 1.379 1073 M HN 0.224 nan 8.290 nan 0.000 0.420 1074 Y N -0.304 119.990 120.300 -0.010 0.000 2.578 1074 Y HA -0.115 4.305 4.550 -0.216 0.000 0.297 1074 Y C 2.418 178.270 175.900 -0.080 0.000 1.176 1074 Y CA -0.199 57.855 58.100 -0.076 0.000 1.315 1074 Y CB -0.376 38.012 38.460 -0.121 0.000 1.031 1074 Y HN 0.278 nan 8.280 nan 0.000 0.524 1075 Q N 1.600 121.429 119.800 0.048 0.000 2.118 1075 Q HA -0.257 3.954 4.340 -0.216 0.000 0.211 1075 Q C 1.453 177.457 176.000 0.008 0.000 0.998 1075 Q CA 2.330 58.142 55.803 0.014 0.000 0.872 1075 Q CB -0.238 28.499 28.738 -0.002 0.000 0.925 1075 Q HN 0.351 nan 8.270 nan 0.000 0.414 1076 N N -0.642 118.063 118.700 0.010 0.000 2.381 1076 N HA -0.100 4.510 4.740 -0.216 0.000 0.182 1076 N C 1.174 176.680 175.510 -0.007 0.000 1.025 1076 N CA 0.827 53.877 53.050 -0.000 0.000 0.888 1076 N CB -0.198 38.287 38.487 -0.002 0.000 0.965 1076 N HN 0.294 nan 8.380 nan 0.000 0.438 1077 L N 0.466 121.688 121.223 -0.000 0.000 2.179 1077 L HA 0.061 4.271 4.340 -0.216 0.000 0.208 1077 L C 2.069 178.902 176.870 -0.062 0.000 1.096 1077 L CA 1.158 55.972 54.840 -0.043 0.000 0.779 1077 L CB -1.040 40.969 42.059 -0.082 0.000 0.922 1077 L HN 0.188 nan 8.230 nan 0.000 0.443 1078 S N -0.589 115.084 115.700 -0.046 0.000 2.383 1078 S HA -0.243 4.097 4.470 -0.216 0.000 0.229 1078 S C 2.127 176.707 174.600 -0.034 0.000 1.030 1078 S CA 1.543 59.712 58.200 -0.051 0.000 1.002 1078 S CB -1.324 61.855 63.200 -0.034 0.000 0.829 1078 S HN 0.707 nan 8.310 nan 0.000 0.467 1079 S N 2.734 118.419 115.700 -0.025 0.000 2.359 1079 S HA -0.127 4.213 4.470 -0.216 0.000 0.223 1079 S C 1.804 176.394 174.600 -0.016 0.000 1.039 1079 S CA 1.250 59.440 58.200 -0.018 0.000 1.042 1079 S CB -0.634 62.557 63.200 -0.015 0.000 0.915 1079 S HN 0.496 nan 8.310 nan 0.000 0.439 1080 R N 1.139 121.626 120.500 -0.022 0.000 2.328 1080 R HA 0.384 4.594 4.340 -0.216 0.000 0.200 1080 R C -0.224 176.069 176.300 -0.013 0.000 0.983 1080 R CA 0.194 56.283 56.100 -0.017 0.000 1.062 1080 R CB -0.470 29.817 30.300 -0.021 0.000 0.956 1080 R HN 0.476 nan 8.270 nan 0.000 0.479 1081 L N 1.902 123.116 121.223 -0.015 0.000 2.371 1081 L HA 0.309 4.520 4.340 -0.216 0.000 0.262 1081 L C -1.628 175.268 176.870 0.043 0.000 1.054 1081 L CA -1.483 53.370 54.840 0.021 0.000 0.924 1081 L CB 1.577 43.621 42.059 -0.025 0.000 1.295 1081 L HN -0.035 nan 8.230 nan 0.000 0.441 1082 P HA -0.065 nan 4.420 nan 0.000 0.219 1082 P C 1.284 178.575 177.300 -0.014 0.000 1.154 1082 P CA 0.809 63.916 63.100 0.010 0.000 0.826 1082 P CB 0.485 32.188 31.700 0.005 0.000 0.795 1083 S N -2.721 112.958 115.700 -0.034 0.000 2.492 1083 S HA 0.068 4.409 4.470 -0.216 0.000 0.218 1083 S C 0.636 175.097 174.600 -0.233 0.000 1.016 1083 S CA -0.346 57.754 58.200 -0.166 0.000 0.916 1083 S CB -1.036 61.994 63.200 -0.283 0.000 0.791 1083 S HN -0.022 nan 8.310 nan 0.000 0.513 1084 Y N 2.379 122.643 120.300 -0.060 0.000 2.308 1084 Y HA 0.526 4.947 4.550 -0.216 0.000 0.329 1084 Y C 0.379 176.216 175.900 -0.106 0.000 1.111 1084 Y CA -0.734 57.316 58.100 -0.084 0.000 1.179 1084 Y CB 0.930 39.331 38.460 -0.097 0.000 1.201 1084 Y HN 0.058 nan 8.280 nan 0.000 0.483 1085 K N 4.047 124.462 120.400 0.024 0.000 2.201 1085 K HA 0.531 4.722 4.320 -0.216 0.000 0.278 1085 K C -1.434 175.092 176.600 -0.124 0.000 1.027 1085 K CA -0.355 55.901 56.287 -0.053 0.000 0.909 1085 K CB 0.532 32.992 32.500 -0.067 0.000 1.062 1085 K HN 0.676 nan 8.250 nan 0.000 0.465 1086 L N 3.600 124.743 121.223 -0.133 0.000 2.331 1086 L HA 0.463 4.674 4.340 -0.216 0.000 0.275 1086 L C -0.697 176.051 176.870 -0.203 0.000 1.022 1086 L CA -1.193 53.531 54.840 -0.193 0.000 0.812 1086 L CB 1.937 43.907 42.059 -0.149 0.000 1.257 1086 L HN 0.719 nan 8.230 nan 0.000 0.435 1087 C N 3.063 122.184 119.300 -0.298 0.000 2.492 1087 C HA 0.542 4.873 4.460 -0.216 0.000 0.284 1087 C C 0.705 175.427 174.990 -0.447 0.000 1.082 1087 C CA -0.761 58.086 59.018 -0.285 0.000 1.555 1087 C CB 0.116 27.711 27.740 -0.241 0.000 1.798 1087 C HN 0.801 nan 8.230 nan 0.000 0.413 1088 A N 4.348 127.060 122.820 -0.180 0.000 2.506 1088 A HA 0.643 4.833 4.320 -0.216 0.000 0.320 1088 A C -0.021 177.597 177.584 0.056 0.000 1.424 1088 A CA -0.087 51.915 52.037 -0.057 0.000 1.044 1088 A CB -0.178 18.865 19.000 0.071 0.000 1.140 1088 A HN 0.615 nan 8.150 nan 0.000 0.538 1089 F N 0.969 120.965 119.950 0.077 0.000 2.435 1089 F HA 0.238 4.636 4.527 -0.216 0.000 0.316 1089 F C 0.953 176.823 175.800 0.118 0.000 1.220 1089 F CA -0.615 57.431 58.000 0.077 0.000 1.241 1089 F CB 0.370 39.375 39.000 0.008 0.000 1.234 1089 F HN 0.515 nan 8.300 nan 0.000 0.569 1090 D N -0.589 120.024 120.400 0.355 0.000 2.478 1090 D HA 0.170 4.681 4.640 -0.216 0.000 0.263 1090 D C -0.994 175.430 176.300 0.207 0.000 1.153 1090 D CA -0.245 53.894 54.000 0.231 0.000 1.038 1090 D CB 1.056 41.974 40.800 0.196 0.000 1.120 1090 D HN 0.234 nan 8.370 nan 0.000 0.564 1091 F N 1.083 120.959 119.950 -0.124 0.000 2.411 1091 F HA 0.359 4.757 4.527 -0.216 0.000 0.350 1091 F C -0.195 175.519 175.800 -0.143 0.000 1.114 1091 F CA -0.691 57.173 58.000 -0.226 0.000 1.135 1091 F CB 0.229 38.922 39.000 -0.512 0.000 1.120 1091 F HN 0.107 nan 8.300 nan 0.000 0.495 1092 I N 6.915 127.007 120.570 -0.796 0.000 2.325 1092 I HA 0.123 4.163 4.170 -0.216 0.000 0.291 1092 I C 0.818 176.144 176.117 -1.318 0.000 1.019 1092 I CA 0.013 60.824 61.300 -0.816 0.000 1.302 1092 I CB 1.261 38.883 38.000 -0.630 0.000 1.401 1092 I HN 0.683 nan 8.210 nan 0.000 0.485 1093 E N 3.588 123.289 120.200 -0.833 0.000 2.482 1093 E HA -0.054 4.166 4.350 -0.216 0.000 0.196 1093 E C -0.144 176.287 176.600 -0.281 0.000 1.047 1093 E CA 0.293 56.369 56.400 -0.540 0.000 0.869 1093 E CB 0.196 29.826 29.700 -0.115 0.000 0.836 1093 E HN 0.580 nan 8.360 nan 0.000 0.520 1094 E N 0.773 120.793 120.200 -0.301 0.000 2.373 1094 E HA 0.031 4.252 4.350 -0.216 0.000 0.263 1094 E C 0.555 177.063 176.600 -0.153 0.000 1.073 1094 E CA 0.016 56.312 56.400 -0.173 0.000 0.894 1094 E CB 0.707 30.307 29.700 -0.167 0.000 1.008 1094 E HN 0.062 nan 8.360 nan 0.000 0.420 1095 E N 1.072 121.231 120.200 -0.068 0.000 2.106 1095 E HA -0.166 4.055 4.350 -0.216 0.000 0.192 1095 E C 0.288 176.864 176.600 -0.040 0.000 0.984 1095 E CA 1.188 57.572 56.400 -0.027 0.000 0.806 1095 E CB 0.069 29.784 29.700 0.025 0.000 0.750 1095 E HN 0.507 nan 8.360 nan 0.000 0.458 1096 D N 0.693 121.057 120.400 -0.061 0.000 2.690 1096 D HA -0.052 4.458 4.640 -0.216 0.000 0.236 1096 D C 1.174 177.403 176.300 -0.119 0.000 1.218 1096 D CA -0.131 53.831 54.000 -0.063 0.000 0.829 1096 D CB -0.385 40.383 40.800 -0.054 0.000 1.009 1096 D HN 0.202 nan 8.370 nan 0.000 0.482 1097 R N 0.205 120.609 120.500 -0.159 0.000 2.193 1097 R HA -0.106 4.104 4.340 -0.216 0.000 0.229 1097 R C 1.710 177.934 176.300 -0.126 0.000 1.110 1097 R CA 0.510 56.462 56.100 -0.247 0.000 0.988 1097 R CB -0.782 29.355 30.300 -0.273 0.000 0.871 1097 R HN 0.217 nan 8.270 nan 0.000 0.458 1098 L N 1.220 122.448 121.223 0.007 0.000 1.997 1098 L HA -0.221 3.989 4.340 -0.216 0.000 0.216 1098 L C 1.591 178.488 176.870 0.044 0.000 1.074 1098 L CA 1.733 56.630 54.840 0.095 0.000 0.763 1098 L CB -0.821 41.277 42.059 0.064 0.000 0.890 1098 L HN 0.161 nan 8.230 nan 0.000 0.434 1099 D N -0.394 119.984 120.400 -0.035 0.000 2.224 1099 D HA -0.078 4.433 4.640 -0.216 0.000 0.205 1099 D C 2.350 178.582 176.300 -0.114 0.000 0.965 1099 D CA 0.723 54.689 54.000 -0.056 0.000 0.852 1099 D CB -0.097 40.668 40.800 -0.059 0.000 0.947 1099 D HN 0.261 nan 8.370 nan 0.000 0.494 1100 R N -0.355 120.014 120.500 -0.218 0.000 2.075 1100 R HA -0.109 4.101 4.340 -0.216 0.000 0.232 1100 R C 1.986 178.059 176.300 -0.379 0.000 1.126 1100 R CA 0.941 56.836 56.100 -0.342 0.000 0.963 1100 R CB -0.335 29.661 30.300 -0.506 0.000 0.858 1100 R HN 0.269 nan 8.270 nan 0.000 0.435 1101 Y N 0.426 120.602 120.300 -0.206 0.000 2.242 1101 Y HA -0.066 4.354 4.550 -0.216 0.000 0.291 1101 Y C 2.484 178.287 175.900 -0.162 0.000 1.137 1101 Y CA 0.746 58.689 58.100 -0.261 0.000 1.181 1101 Y CB -0.663 37.723 38.460 -0.122 0.000 0.989 1101 Y HN 0.100 nan 8.280 nan 0.000 0.527 1102 A N -0.101 122.744 122.820 0.041 0.000 1.940 1102 A HA -0.251 3.940 4.320 -0.216 0.000 0.219 1102 A C 1.937 179.495 177.584 -0.043 0.000 1.176 1102 A CA 2.189 54.225 52.037 -0.001 0.000 0.631 1102 A CB -0.730 18.268 19.000 -0.004 0.000 0.814 1102 A HN 0.432 nan 8.150 nan 0.000 0.446 1103 D N -0.754 119.601 120.400 -0.075 0.000 2.162 1103 D HA -0.015 4.496 4.640 -0.216 0.000 0.203 1103 D C 1.834 178.085 176.300 -0.082 0.000 0.967 1103 D CA 0.699 54.651 54.000 -0.079 0.000 0.840 1103 D CB -0.163 40.578 40.800 -0.098 0.000 0.972 1103 D HN 0.383 nan 8.370 nan 0.000 0.482 1104 L N 0.097 121.248 121.223 -0.119 0.000 2.005 1104 L HA -0.062 4.148 4.340 -0.216 0.000 0.207 1104 L C 2.441 179.287 176.870 -0.041 0.000 1.072 1104 L CA 0.885 55.660 54.840 -0.109 0.000 0.744 1104 L CB -0.162 41.742 42.059 -0.258 0.000 0.895 1104 L HN 0.099 nan 8.230 nan 0.000 0.433 1105 I N -0.997 119.515 120.570 -0.097 0.000 2.546 1105 I HA -0.234 3.807 4.170 -0.216 0.000 0.255 1105 I C 2.448 178.484 176.117 -0.135 0.000 1.163 1105 I CA 0.501 61.658 61.300 -0.237 0.000 1.457 1105 I CB -0.211 37.473 38.000 -0.526 0.000 1.092 1105 I HN 0.345 nan 8.210 nan 0.000 0.434 1106 Q N 1.900 121.654 119.800 -0.076 0.000 2.135 1106 Q HA -0.205 4.005 4.340 -0.216 0.000 0.204 1106 Q C 1.969 177.968 176.000 -0.001 0.000 0.981 1106 Q CA 1.825 57.608 55.803 -0.034 0.000 0.856 1106 Q CB -0.049 28.671 28.738 -0.030 0.000 0.902 1106 Q HN 0.365 nan 8.270 nan 0.000 0.425 1107 K N -0.581 119.823 120.400 0.006 0.000 2.007 1107 K HA -0.001 4.190 4.320 -0.216 0.000 0.206 1107 K C 2.025 178.670 176.600 0.074 0.000 1.047 1107 K CA 1.294 57.599 56.287 0.030 0.000 0.937 1107 K CB -0.125 32.388 32.500 0.022 0.000 0.718 1107 K HN 0.214 nan 8.250 nan 0.000 0.438 1108 L N 0.253 121.549 121.223 0.121 0.000 2.376 1108 L HA -0.077 4.133 4.340 -0.216 0.000 0.219 1108 L C 0.903 177.935 176.870 0.270 0.000 1.133 1108 L CA 0.665 55.640 54.840 0.226 0.000 0.816 1108 L CB 0.060 42.358 42.059 0.398 0.000 0.933 1108 L HN 0.238 nan 8.230 nan 0.000 0.449 1109 Q N -0.578 119.344 119.800 0.202 0.000 2.487 1109 Q HA 0.156 4.366 4.340 -0.216 0.000 0.234 1109 Q C -2.192 173.865 176.000 0.095 0.000 0.828 1109 Q CA -1.122 54.797 55.803 0.194 0.000 0.907 1109 Q CB 2.126 31.078 28.738 0.356 0.000 1.462 1109 Q HN -0.199 nan 8.270 nan 0.000 0.442 1110 P HA 0.007 nan 4.420 nan 0.000 0.217 1110 P C -0.488 176.836 177.300 0.040 0.000 1.154 1110 P CA 0.869 63.995 63.100 0.043 0.000 0.841 1110 P CB 0.759 32.482 31.700 0.038 0.000 0.790 1111 E N -1.860 118.372 120.200 0.054 0.000 2.445 1111 E HA 0.578 4.799 4.350 -0.216 0.000 0.273 1111 E C -0.385 176.255 176.600 0.068 0.000 0.961 1111 E CA -0.665 55.765 56.400 0.050 0.000 0.807 1111 E CB 1.821 31.546 29.700 0.042 0.000 1.362 1111 E HN 0.164 nan 8.360 nan 0.000 0.453 1112 G N 0.521 109.358 108.800 0.062 0.000 2.566 1112 G HA2 -0.104 3.727 3.960 -0.216 0.000 0.599 1112 G HA3 -0.104 3.727 3.960 -0.216 0.000 0.599 1112 G C -2.875 172.070 174.900 0.076 0.000 1.292 1112 G CA -1.192 43.951 45.100 0.072 0.000 0.922 1112 G HN 0.386 nan 8.290 nan 0.000 0.514 1113 P HA 0.523 nan 4.420 nan 0.000 0.276 1113 P C -0.032 177.337 177.300 0.114 0.000 1.253 1113 P CA -0.228 62.921 63.100 0.082 0.000 0.766 1113 P CB 0.606 32.349 31.700 0.072 0.000 0.845 1114 L N 3.080 124.371 121.223 0.113 0.000 2.334 1114 L HA 0.510 4.721 4.340 -0.216 0.000 0.277 1114 L C 0.740 177.715 176.870 0.174 0.000 1.075 1114 L CA -0.212 54.728 54.840 0.167 0.000 0.804 1114 L CB 1.074 43.201 42.059 0.113 0.000 1.174 1114 L HN 0.371 nan 8.230 nan 0.000 0.438 1115 T N 1.163 115.873 114.554 0.261 0.000 2.864 1115 T HA 0.611 4.831 4.350 -0.216 0.000 0.310 1115 T C -0.417 174.456 174.700 0.287 0.000 1.040 1115 T CA -0.700 61.520 62.100 0.199 0.000 0.977 1115 T CB 0.491 69.436 68.868 0.129 0.000 0.976 1115 T HN 0.274 nan 8.240 nan 0.000 0.459 1116 L N 3.246 124.604 121.223 0.225 0.000 2.387 1116 L HA 0.795 5.006 4.340 -0.216 0.000 0.266 1116 L C -0.505 176.508 176.870 0.238 0.000 1.059 1116 L CA -1.234 53.784 54.840 0.298 0.000 0.801 1116 L CB 1.524 43.715 42.059 0.221 0.000 1.223 1116 L HN 0.686 nan 8.230 nan 0.000 0.456 1117 F N -0.331 119.707 119.950 0.146 0.000 2.626 1117 F HA 0.777 5.175 4.527 -0.216 0.000 0.311 1117 F C -0.384 175.487 175.800 0.118 0.000 1.088 1117 F CA -0.396 57.620 58.000 0.026 0.000 0.949 1117 F CB 2.412 41.371 39.000 -0.068 0.000 1.322 1117 F HN 0.340 nan 8.300 nan 0.000 0.461 1118 G N 2.960 111.368 108.800 -0.653 0.000 2.728 1118 G HA2 0.427 4.257 3.960 -0.216 0.000 0.294 1118 G HA3 0.427 4.257 3.960 -0.216 0.000 0.294 1118 G C -2.833 171.830 174.900 -0.396 0.000 1.398 1118 G CA -0.599 44.370 45.100 -0.218 0.000 1.183 1118 G HN 0.788 nan 8.290 nan 0.000 0.578 1119 Y N 3.202 123.481 120.300 -0.034 0.000 2.393 1119 Y HA 0.672 5.093 4.550 -0.216 0.000 0.341 1119 Y C 0.696 176.691 175.900 0.158 0.000 0.988 1119 Y CA 0.570 58.693 58.100 0.038 0.000 1.078 1119 Y CB 2.051 40.642 38.460 0.218 0.000 1.203 1119 Y HN 1.376 nan 8.280 nan 0.000 0.453 1120 S N 2.737 118.013 115.700 -0.707 0.000 3.583 1120 S HA -0.340 4.001 4.470 -0.216 0.000 0.629 1120 S C 1.414 175.849 174.600 -0.275 0.000 2.549 1120 S CA 1.481 59.370 58.200 -0.520 0.000 3.665 1120 S CB -1.701 61.153 63.200 -0.577 0.000 0.265 1120 S HN 1.873 nan 8.310 nan 0.000 1.206 1121 A N 0.812 123.418 122.820 -0.356 0.000 2.084 1121 A HA 0.057 4.248 4.320 -0.216 0.000 0.221 1121 A C 2.443 180.114 177.584 0.146 0.000 1.161 1121 A CA 2.541 54.314 52.037 -0.439 0.000 0.653 1121 A CB -1.637 16.714 19.000 -1.082 0.000 0.802 1121 A HN 1.822 nan 8.150 nan 0.000 0.457 1122 G N -1.340 107.655 108.800 0.326 0.000 2.535 1122 G HA2 -0.187 3.644 3.960 -0.216 0.000 0.218 1122 G HA3 -0.187 3.644 3.960 -0.216 0.000 0.218 1122 G C 1.362 176.367 174.900 0.174 0.000 1.122 1122 G CA 1.150 46.514 45.100 0.440 0.000 0.769 1122 G HN 0.548 nan 8.290 nan 0.000 0.549 1123 C N 1.036 120.373 119.300 0.061 0.000 2.548 1123 C HA -0.036 4.294 4.460 -0.216 0.000 0.284 1123 C C 3.398 178.450 174.990 0.104 0.000 1.252 1123 C CA 1.454 60.439 59.018 -0.055 0.000 1.725 1123 C CB -0.866 26.880 27.740 0.009 0.000 2.098 1123 C HN 0.581 nan 8.230 nan 0.000 0.471 1124 S N 1.066 116.994 115.700 0.380 0.000 2.440 1124 S HA -0.157 4.183 4.470 -0.216 0.000 0.238 1124 S C 1.612 176.453 174.600 0.402 0.000 1.010 1124 S CA 1.224 59.718 58.200 0.492 0.000 0.972 1124 S CB -0.611 62.854 63.200 0.443 0.000 0.774 1124 S HN 0.436 nan 8.310 nan 0.000 0.501 1125 L N 2.039 123.463 121.223 0.335 0.000 2.023 1125 L HA 0.245 4.455 4.340 -0.216 0.000 0.205 1125 L C 2.718 179.421 176.870 -0.280 0.000 1.073 1125 L CA 1.755 56.744 54.840 0.248 0.000 0.745 1125 L CB -1.270 41.048 42.059 0.432 0.000 0.900 1125 L HN 0.331 nan 8.230 nan 0.000 0.435 1126 A N -1.453 120.955 122.820 -0.687 0.000 2.015 1126 A HA -0.221 3.969 4.320 -0.216 0.000 0.219 1126 A C 2.187 179.496 177.584 -0.457 0.000 1.163 1126 A CA 1.589 52.916 52.037 -1.183 0.000 0.646 1126 A CB -0.988 17.431 19.000 -0.968 0.000 0.806 1126 A HN 0.554 nan 8.150 nan 0.000 0.448 1127 F N 0.924 120.696 119.950 -0.296 0.000 2.118 1127 F HA 0.047 4.444 4.527 -0.216 0.000 0.293 1127 F C 0.795 176.575 175.800 -0.033 0.000 1.102 1127 F CA 1.003 58.926 58.000 -0.128 0.000 1.247 1127 F CB -0.032 39.000 39.000 0.053 0.000 1.017 1127 F HN 0.068 nan 8.300 nan 0.000 0.475 1128 E N 1.400 121.577 120.200 -0.039 0.000 2.443 1128 E HA 0.236 4.457 4.350 -0.216 0.000 0.310 1128 E C 0.599 177.150 176.600 -0.081 0.000 1.202 1128 E CA 0.681 57.034 56.400 -0.077 0.000 1.301 1128 E CB -0.191 29.645 29.700 0.227 0.000 1.104 1128 E HN 0.579 nan 8.360 nan 0.000 0.487 1129 A N 0.442 123.145 122.820 -0.194 0.000 2.511 1129 A HA 0.203 4.394 4.320 -0.216 0.000 0.201 1129 A C 1.668 179.191 177.584 -0.103 0.000 1.628 1129 A CA 0.443 52.426 52.037 -0.090 0.000 1.578 1129 A CB -0.745 18.159 19.000 -0.160 0.000 1.443 1129 A HN 0.356 nan 8.150 nan 0.000 0.514 1130 A N 0.384 123.098 122.820 -0.176 0.000 1.969 1130 A HA 0.231 4.422 4.320 -0.216 0.000 0.218 1130 A C 2.232 179.713 177.584 -0.171 0.000 1.169 1130 A CA 2.903 54.858 52.037 -0.136 0.000 0.635 1130 A CB -0.891 18.037 19.000 -0.120 0.000 0.810 1130 A HN 1.294 nan 8.150 nan 0.000 0.445 1131 K N 0.401 120.614 120.400 -0.312 0.000 2.063 1131 K HA -0.168 4.022 4.320 -0.216 0.000 0.208 1131 K C 2.058 178.575 176.600 -0.140 0.000 1.048 1131 K CA 2.272 58.393 56.287 -0.276 0.000 0.928 1131 K CB -0.574 31.660 32.500 -0.443 0.000 0.713 1131 K HN 0.501 nan 8.250 nan 0.000 0.442 1132 K N 0.023 120.356 120.400 -0.112 0.000 2.062 1132 K HA 0.177 4.368 4.320 -0.216 0.000 0.205 1132 K C 2.086 178.664 176.600 -0.037 0.000 1.051 1132 K CA 0.897 57.153 56.287 -0.052 0.000 0.941 1132 K CB -0.323 32.164 32.500 -0.022 0.000 0.719 1132 K HN 0.351 nan 8.250 nan 0.000 0.440 1133 L N 0.715 121.916 121.223 -0.037 0.000 1.978 1133 L HA -0.277 3.934 4.340 -0.216 0.000 0.218 1133 L C 2.084 178.940 176.870 -0.023 0.000 1.075 1133 L CA 1.953 56.778 54.840 -0.025 0.000 0.767 1133 L CB -0.352 41.694 42.059 -0.022 0.000 0.890 1133 L HN 0.318 nan 8.230 nan 0.000 0.434 1134 E N -0.965 119.216 120.200 -0.031 0.000 2.358 1134 E HA -0.133 4.088 4.350 -0.216 0.000 0.195 1134 E C 2.226 178.814 176.600 -0.020 0.000 1.010 1134 E CA 0.764 57.151 56.400 -0.021 0.000 0.856 1134 E CB 0.003 29.690 29.700 -0.021 0.000 0.795 1134 E HN 0.609 nan 8.360 nan 0.000 0.504 1135 E N 1.505 121.688 120.200 -0.028 0.000 2.072 1135 E HA -0.165 4.056 4.350 -0.216 0.000 0.190 1135 E C 1.699 178.291 176.600 -0.013 0.000 0.982 1135 E CA 0.999 57.386 56.400 -0.021 0.000 0.803 1135 E CB -0.583 nan 29.700 nan 0.000 0.755 1135 E HN 0.274 nan 8.360 nan 0.000 0.453 1136 Q N -1.285 118.507 119.800 -0.014 0.000 2.403 1136 Q HA 0.326 4.536 4.340 -0.216 0.000 0.203 1136 Q C 0.430 176.426 176.000 -0.007 0.000 0.932 1136 Q CA 0.193 55.990 55.803 -0.010 0.000 0.945 1136 Q CB 0.836 29.567 28.738 -0.011 0.000 1.045 1136 Q HN 0.640 nan 8.270 nan 0.000 0.511 1137 G N 2.001 110.797 108.800 -0.007 0.000 2.898 1137 G HA2 -0.161 3.669 3.960 -0.216 0.000 0.267 1137 G HA3 -0.161 3.669 3.960 -0.216 0.000 0.267 1137 G C -0.856 174.044 174.900 0.000 0.000 1.061 1137 G CA -0.621 44.478 45.100 -0.002 0.000 1.230 1137 G HN -0.015 nan 8.290 nan 0.000 0.569 1138 R N 0.895 121.395 120.500 -0.000 0.000 2.549 1138 R HA 0.281 4.491 4.340 -0.216 0.000 0.291 1138 R C 0.366 176.672 176.300 0.010 0.000 1.164 1138 R CA -0.956 55.146 56.100 0.005 0.000 0.973 1138 R CB 0.937 31.235 30.300 -0.003 0.000 1.210 1138 R HN 0.448 nan 8.270 nan 0.000 0.422 1139 I N 3.112 123.694 120.570 0.020 0.000 2.598 1139 I HA 0.027 4.068 4.170 -0.216 0.000 0.284 1139 I C 0.380 176.517 176.117 0.034 0.000 1.140 1139 I CA 0.022 61.337 61.300 0.025 0.000 1.420 1139 I CB 0.707 38.725 38.000 0.031 0.000 1.387 1139 I HN 0.069 nan 8.210 nan 0.000 0.553 1140 V N 7.568 127.499 119.914 0.029 0.000 2.333 1140 V HA 0.073 4.064 4.120 -0.216 0.000 0.274 1140 V C 0.937 177.055 176.094 0.039 0.000 1.028 1140 V CA -0.291 62.032 62.300 0.039 0.000 0.851 1140 V CB 1.150 32.986 31.823 0.022 0.000 1.000 1140 V HN 0.827 nan 8.190 nan 0.000 0.456 1141 Q N 4.718 124.550 119.800 0.055 0.000 2.002 1141 Q HA -0.119 4.092 4.340 -0.216 0.000 0.204 1141 Q C 0.808 176.826 176.000 0.031 0.000 0.988 1141 Q CA 1.846 57.679 55.803 0.049 0.000 0.843 1141 Q CB 0.327 29.105 28.738 0.067 0.000 0.908 1141 Q HN 0.853 nan 8.270 nan 0.000 0.420 1142 R N -1.817 118.698 120.500 0.025 0.000 2.712 1142 R HA 0.565 4.775 4.340 -0.216 0.000 0.272 1142 R C -1.479 174.801 176.300 -0.034 0.000 1.032 1142 R CA -0.759 55.332 56.100 -0.015 0.000 0.874 1142 R CB 0.733 31.018 30.300 -0.025 0.000 1.256 1142 R HN 0.028 nan 8.270 nan 0.000 0.468 1143 I N 1.429 121.935 120.570 -0.107 0.000 2.785 1143 I HA 0.492 4.532 4.170 -0.216 0.000 0.302 1143 I C -0.383 175.568 176.117 -0.277 0.000 1.069 1143 I CA -1.342 59.861 61.300 -0.162 0.000 1.045 1143 I CB 2.407 40.277 38.000 -0.217 0.000 1.236 1143 I HN 0.462 nan 8.210 nan 0.000 0.429 1144 I N 5.161 125.543 120.570 -0.313 0.000 2.495 1144 I HA 0.302 4.343 4.170 -0.216 0.000 0.277 1144 I C -0.518 175.194 176.117 -0.675 0.000 1.045 1144 I CA -0.581 60.456 61.300 -0.438 0.000 1.135 1144 I CB 1.132 39.014 38.000 -0.197 0.000 1.241 1144 I HN 0.343 nan 8.210 nan 0.000 0.469 1145 M N 5.429 124.644 119.600 -0.641 0.000 2.242 1145 M HA 0.344 4.694 4.480 -0.216 0.000 0.344 1145 M C -0.096 175.926 176.300 -0.464 0.000 1.140 1145 M CA -0.552 54.368 55.300 -0.633 0.000 1.160 1145 M CB 1.426 33.593 32.600 -0.722 0.000 1.491 1145 M HN 0.216 nan 8.290 nan 0.000 0.459 1146 V N 2.268 121.966 119.914 -0.361 0.000 2.380 1146 V HA 0.188 4.178 4.120 -0.216 0.000 0.272 1146 V C -0.227 175.843 176.094 -0.041 0.000 1.011 1146 V CA -0.562 61.669 62.300 -0.115 0.000 0.826 1146 V CB 0.649 32.506 31.823 0.057 0.000 1.040 1146 V HN 0.991 nan 8.190 nan 0.000 0.441 1147 D N 2.049 122.377 120.400 -0.119 0.000 2.716 1147 D HA -0.174 4.337 4.640 -0.216 0.000 0.239 1147 D C -0.105 176.083 176.300 -0.188 0.000 1.125 1147 D CA 1.548 55.481 54.000 -0.112 0.000 0.681 1147 D CB -0.603 40.272 40.800 0.126 0.000 1.070 1147 D HN 0.833 nan 8.370 nan 0.000 0.432 1148 S N -0.600 114.864 115.700 -0.394 0.000 2.537 1148 S HA 0.699 5.040 4.470 -0.216 0.000 0.271 1148 S C -1.230 173.253 174.600 -0.195 0.000 1.148 1148 S CA -0.757 57.300 58.200 -0.237 0.000 0.868 1148 S CB 0.866 63.987 63.200 -0.132 0.000 1.115 1148 S HN 0.170 nan 8.310 nan 0.000 0.461 1149 Y N 1.434 121.747 120.300 0.022 0.000 2.753 1149 Y HA 0.564 4.984 4.550 -0.216 0.000 0.324 1149 Y C 0.386 175.772 175.900 -0.857 0.000 1.147 1149 Y CA -1.014 56.854 58.100 -0.386 0.000 1.173 1149 Y CB 0.771 38.975 38.460 -0.428 0.000 1.361 1149 Y HN 0.653 nan 8.280 nan 0.000 0.545 1150 K N 1.212 120.893 120.400 -1.199 0.000 2.270 1150 K HA 0.139 4.329 4.320 -0.216 0.000 0.276 1150 K C -0.689 175.599 176.600 -0.520 0.000 1.023 1150 K CA -0.540 55.090 56.287 -1.095 0.000 0.955 1150 K CB 0.676 32.554 32.500 -1.038 0.000 0.975 1150 K HN 0.427 nan 8.250 nan 0.000 0.471 1151 K N 3.381 123.582 120.400 -0.333 0.000 2.220 1151 K HA -0.013 4.178 4.320 -0.216 0.000 0.283 1151 K C -0.044 176.469 176.600 -0.145 0.000 1.098 1151 K CA 0.417 56.596 56.287 -0.180 0.000 0.928 1151 K CB 0.310 32.743 32.500 -0.113 0.000 1.214 1151 K HN 0.461 nan 8.250 nan 0.000 0.442 1152 Q N 2.854 122.578 119.800 -0.126 0.000 2.375 1152 Q HA 0.233 4.443 4.340 -0.216 0.000 0.316 1152 Q C -0.077 175.931 176.000 0.014 0.000 0.927 1152 Q CA 0.078 55.829 55.803 -0.087 0.000 1.029 1152 Q CB 0.110 28.764 28.738 -0.140 0.000 1.202 1152 Q HN 0.960 nan 8.270 nan 0.000 0.431 1153 G N -1.440 107.377 108.800 0.029 0.000 2.174 1153 G HA2 -0.129 3.701 3.960 -0.216 0.000 0.070 1153 G HA3 -0.129 3.701 3.960 -0.216 0.000 0.070 1153 G C -0.358 174.503 174.900 -0.066 0.000 1.120 1153 G CA 0.048 45.150 45.100 0.004 0.000 1.194 1153 G HN 0.126 nan 8.290 nan 0.000 0.435 1154 V N -0.922 118.883 119.914 -0.182 0.000 3.629 1154 V HA 0.604 4.595 4.120 -0.216 0.000 0.194 1154 V C 0.738 176.192 176.094 -1.067 0.000 1.343 1154 V CA 1.567 63.594 62.300 -0.454 0.000 1.292 1154 V CB 0.899 32.514 31.823 -0.346 0.000 1.287 1154 V HN 1.077 nan 8.190 nan 0.000 0.554 1162 V N 0.837 120.781 119.914 0.050 0.000 2.233 1162 V HA -0.116 3.875 4.120 -0.216 0.000 0.247 1162 V C 2.701 178.771 176.094 -0.040 0.000 1.050 1162 V CA 2.533 64.826 62.300 -0.012 0.000 1.010 1162 V CB -0.854 30.921 31.823 -0.081 0.000 0.637 1162 V HN 1.013 nan 8.190 nan 0.000 0.444 1163 E N 0.297 120.571 120.200 0.122 0.000 2.076 1163 E HA -0.159 4.062 4.350 -0.216 0.000 0.190 1163 E C 2.360 179.037 176.600 0.129 0.000 0.979 1163 E CA 1.154 57.707 56.400 0.255 0.000 0.807 1163 E CB -0.096 29.836 29.700 0.387 0.000 0.761 1163 E HN 0.702 nan 8.360 nan 0.000 0.454 1164 S N 0.460 116.218 115.700 0.098 0.000 2.399 1164 S HA -0.158 4.183 4.470 -0.216 0.000 0.231 1164 S C 1.217 175.836 174.600 0.031 0.000 1.022 1164 S CA 1.578 59.815 58.200 0.061 0.000 0.983 1164 S CB -0.196 63.038 63.200 0.056 0.000 0.803 1164 S HN 0.200 nan 8.310 nan 0.000 0.480 1165 D N 0.748 121.169 120.400 0.034 0.000 2.305 1165 D HA 0.173 4.683 4.640 -0.216 0.000 0.206 1165 D C 1.855 177.981 176.300 -0.291 0.000 0.974 1165 D CA 0.301 54.282 54.000 -0.032 0.000 0.871 1165 D CB -0.119 40.763 40.800 0.138 0.000 0.947 1165 D HN 0.320 nan 8.370 nan 0.000 0.516 1166 V N 0.866 120.633 119.914 -0.246 0.000 2.427 1166 V HA -0.175 3.816 4.120 -0.216 0.000 0.248 1166 V C 2.105 178.137 176.094 -0.103 0.000 1.051 1166 V CA 1.567 63.708 62.300 -0.264 0.000 1.048 1166 V CB -0.265 31.527 31.823 -0.051 0.000 0.666 1166 V HN 0.199 nan 8.190 nan 0.000 0.456 1167 E N 0.147 120.331 120.200 -0.026 0.000 2.076 1167 E HA -0.073 4.147 4.350 -0.216 0.000 0.190 1167 E C 2.315 178.907 176.600 -0.014 0.000 0.979 1167 E CA 1.093 57.494 56.400 0.003 0.000 0.807 1167 E CB -0.256 29.463 29.700 0.032 0.000 0.761 1167 E HN 0.571 nan 8.360 nan 0.000 0.454 1168 A N 0.962 123.767 122.820 -0.026 0.000 1.969 1168 A HA -0.094 4.097 4.320 -0.216 0.000 0.218 1168 A C 2.092 179.660 177.584 -0.025 0.000 1.169 1168 A CA 0.887 52.915 52.037 -0.014 0.000 0.635 1168 A CB -0.365 18.634 19.000 -0.001 0.000 0.810 1168 A HN 0.119 nan 8.150 nan 0.000 0.445 1169 L N -1.395 119.780 121.223 -0.079 0.000 2.270 1169 L HA 0.032 4.242 4.340 -0.216 0.000 0.210 1169 L C 2.622 179.473 176.870 -0.032 0.000 1.104 1169 L CA 0.509 55.307 54.840 -0.070 0.000 0.804 1169 L CB -0.266 41.691 42.059 -0.171 0.000 0.937 1169 L HN 0.379 nan 8.230 nan 0.000 0.450 1170 M N -0.507 119.072 119.600 -0.035 0.000 2.394 1170 M HA -0.134 4.216 4.480 -0.216 0.000 0.264 1170 M C 1.436 177.746 176.300 0.016 0.000 1.073 1170 M CA 1.426 56.729 55.300 0.006 0.000 1.111 1170 M CB -0.348 32.262 32.600 0.016 0.000 1.401 1170 M HN 0.329 nan 8.290 nan 0.000 0.448 1171 N N -0.281 118.426 118.700 0.011 0.000 2.512 1171 N HA -0.089 4.522 4.740 -0.216 0.000 0.183 1171 N C 1.357 176.882 175.510 0.026 0.000 1.073 1171 N CA 0.563 53.624 53.050 0.018 0.000 0.911 1171 N CB 0.252 38.749 38.487 0.017 0.000 0.964 1171 N HN 0.264 nan 8.380 nan 0.000 0.447 1172 V N -3.248 116.684 119.914 0.030 0.000 3.596 1172 V HA 0.262 4.252 4.120 -0.216 0.000 0.289 1172 V C 0.503 176.626 176.094 0.049 0.000 1.336 1172 V CA 0.623 62.949 62.300 0.044 0.000 1.137 1172 V CB -0.159 31.698 31.823 0.057 0.000 0.966 1172 V HN 0.219 nan 8.190 nan 0.000 0.428 1173 N N 1.127 119.853 118.700 0.042 0.000 2.184 1173 N HA 0.128 4.738 4.740 -0.216 0.000 0.234 1173 N C 0.446 175.978 175.510 0.038 0.000 1.282 1173 N CA -0.517 52.561 53.050 0.047 0.000 0.877 1173 N CB 0.920 39.441 38.487 0.058 0.000 1.184 1173 N HN 0.492 nan 8.380 nan 0.000 0.510 1183 A N 1.804 124.618 122.820 -0.010 0.000 1.940 1183 A HA -0.053 4.137 4.320 -0.216 0.000 0.219 1183 A C 2.247 179.785 177.584 -0.077 0.000 1.176 1183 A CA 2.243 54.261 52.037 -0.032 0.000 0.631 1183 A CB -0.474 18.509 19.000 -0.030 0.000 0.814 1183 A HN 0.188 nan 8.150 nan 0.000 0.446 1184 V N -1.796 118.063 119.914 -0.091 0.000 3.644 1184 V HA 0.072 4.062 4.120 -0.216 0.000 0.267 1184 V C 1.765 177.781 176.094 -0.129 0.000 1.277 1184 V CA 1.511 63.699 62.300 -0.186 0.000 1.096 1184 V CB -0.009 31.728 31.823 -0.144 0.000 0.828 1184 V HN 0.406 nan 8.190 nan 0.000 0.446 1185 K N -1.065 119.323 120.400 -0.019 0.000 2.365 1185 K HA 0.187 4.378 4.320 -0.216 0.000 0.195 1185 K C 2.005 178.660 176.600 0.091 0.000 1.079 1185 K CA 0.167 56.474 56.287 0.033 0.000 0.979 1185 K CB -0.271 32.239 32.500 0.018 0.000 0.929 1185 K HN 0.400 nan 8.250 nan 0.000 0.523 1186 H N 0.840 119.923 119.070 0.022 0.000 2.280 1186 H HA -0.067 4.360 4.556 -0.216 0.000 0.294 1186 H C 0.844 176.232 175.328 0.099 0.000 1.064 1186 H CA 2.154 58.236 56.048 0.055 0.000 1.208 1186 H CB -0.290 29.505 29.762 0.055 0.000 1.365 1186 H HN 0.186 nan 8.280 nan 0.000 0.511 1187 G N 0.815 109.840 108.800 0.374 0.000 3.530 1187 G HA2 0.198 4.028 3.960 -0.216 0.000 0.269 1187 G HA3 0.198 4.028 3.960 -0.216 0.000 0.269 1187 G C 1.212 176.319 174.900 0.346 0.000 1.314 1187 G CA -0.046 45.251 45.100 0.329 0.000 1.441 1187 G HN 0.383 nan 8.290 nan 0.000 0.595 1188 L N -0.242 121.143 121.223 0.270 0.000 2.249 1188 L HA 0.340 4.550 4.340 -0.216 0.000 0.207 1188 L C 2.471 179.477 176.870 0.228 0.000 1.090 1188 L CA 1.327 56.368 54.840 0.336 0.000 0.802 1188 L CB 0.047 42.250 42.059 0.240 0.000 0.947 1188 L HN 0.186 nan 8.230 nan 0.000 0.453 1189 K N -0.092 120.399 120.400 0.152 0.000 1.991 1189 K HA -0.177 4.014 4.320 -0.216 0.000 0.207 1189 K C 2.176 178.881 176.600 0.176 0.000 1.045 1189 K CA 1.950 58.319 56.287 0.137 0.000 0.937 1189 K CB -0.571 31.974 32.500 0.074 0.000 0.720 1189 K HN 0.385 nan 8.250 nan 0.000 0.438 1190 Q N -0.180 119.703 119.800 0.138 0.000 2.364 1190 Q HA -0.108 4.102 4.340 -0.216 0.000 0.207 1190 Q C 1.702 177.836 176.000 0.222 0.000 0.970 1190 Q CA 1.312 57.202 55.803 0.144 0.000 0.888 1190 Q CB 0.075 28.870 28.738 0.095 0.000 0.951 1190 Q HN 0.296 nan 8.270 nan 0.000 0.469 1191 K N -1.258 119.282 120.400 0.232 0.000 2.099 1191 K HA -0.005 4.185 4.320 -0.216 0.000 0.203 1191 K C 1.788 178.556 176.600 0.280 0.000 1.047 1191 K CA 1.348 57.790 56.287 0.259 0.000 0.963 1191 K CB 0.251 32.837 32.500 0.144 0.000 0.759 1191 K HN 0.073 nan 8.250 nan 0.000 0.451 1192 T N 0.592 115.278 114.554 0.220 0.000 2.867 1192 T HA -0.150 4.070 4.350 -0.216 0.000 0.268 1192 T C 1.558 176.406 174.700 0.247 0.000 1.057 1192 T CA 0.940 63.162 62.100 0.202 0.000 1.136 1192 T CB -0.345 68.611 68.868 0.147 0.000 0.874 1192 T HN 0.330 nan 8.240 nan 0.000 0.466 1193 H N 0.907 120.087 119.070 0.183 0.000 2.387 1193 H HA 0.002 4.429 4.556 -0.216 0.000 0.299 1193 H C 2.328 177.803 175.328 0.244 0.000 1.099 1193 H CA 1.645 57.814 56.048 0.203 0.000 1.315 1193 H CB -0.036 29.821 29.762 0.159 0.000 1.380 1193 H HN 0.397 nan 8.280 nan 0.000 0.513 1194 A N -0.208 122.847 122.820 0.393 0.000 1.935 1194 A HA -0.045 4.145 4.320 -0.216 0.000 0.214 1194 A C 2.337 180.153 177.584 0.387 0.000 1.178 1194 A CA 0.405 52.686 52.037 0.406 0.000 0.640 1194 A CB -0.858 18.430 19.000 0.480 0.000 0.825 1194 A HN 0.486 nan 8.150 nan 0.000 0.447 1195 F N -1.620 118.302 119.950 -0.045 0.000 2.187 1195 F HA -0.093 4.305 4.527 -0.216 0.000 0.295 1195 F C 2.172 177.952 175.800 -0.033 0.000 1.091 1195 F CA 1.223 58.924 58.000 -0.499 0.000 1.308 1195 F CB -0.085 38.262 39.000 -1.088 0.000 1.030 1195 F HN 0.346 nan 8.300 nan 0.000 0.487 1196 Y N 1.080 121.313 120.300 -0.112 0.000 2.207 1196 Y HA -0.262 4.159 4.550 -0.216 0.000 0.287 1196 Y C 2.474 178.362 175.900 -0.020 0.000 1.156 1196 Y CA 1.744 59.774 58.100 -0.116 0.000 1.182 1196 Y CB -0.820 37.596 38.460 -0.072 0.000 0.979 1196 Y HN 0.015 nan 8.280 nan 0.000 0.521 1197 S N -0.789 114.922 115.700 0.018 0.000 2.345 1197 S HA -0.216 4.124 4.470 -0.216 0.000 0.220 1197 S C 1.742 176.366 174.600 0.038 0.000 1.031 1197 S CA 1.204 59.383 58.200 -0.034 0.000 0.996 1197 S CB -0.960 62.285 63.200 0.075 0.000 0.882 1197 S HN 0.683 nan 8.310 nan 0.000 0.445 1198 Y N 1.373 121.731 120.300 0.096 0.000 2.151 1198 Y HA -0.291 4.130 4.550 -0.216 0.000 0.284 1198 Y C 2.147 178.119 175.900 0.119 0.000 1.166 1198 Y CA 1.642 59.848 58.100 0.177 0.000 1.163 1198 Y CB -0.790 37.907 38.460 0.395 0.000 0.974 1198 Y HN 0.329 nan 8.280 nan 0.000 0.511 1199 Y N 0.135 120.290 120.300 -0.242 0.000 2.049 1199 Y HA -0.265 4.155 4.550 -0.216 0.000 0.277 1199 Y C 2.466 178.199 175.900 -0.279 0.000 1.143 1199 Y CA 2.413 60.318 58.100 -0.325 0.000 1.115 1199 Y CB -1.003 37.263 38.460 -0.323 0.000 0.975 1199 Y HN -0.052 nan 8.280 nan 0.000 0.487 1200 V N 0.656 120.316 119.914 -0.423 0.000 2.392 1200 V HA -0.256 3.734 4.120 -0.216 0.000 0.249 1200 V C 0.866 176.667 176.094 -0.488 0.000 1.059 1200 V CA 1.766 63.708 62.300 -0.596 0.000 1.051 1200 V CB -0.945 30.534 31.823 -0.574 0.000 0.658 1200 V HN 0.307 nan 8.190 nan 0.000 0.455 1208 V N -2.066 117.969 119.914 0.201 0.000 3.126 1208 V HA 0.550 4.540 4.120 -0.216 0.000 0.314 1208 V C -0.130 176.004 176.094 0.066 0.000 1.138 1208 V CA -0.669 61.685 62.300 0.090 0.000 1.034 1208 V CB 2.126 33.984 31.823 0.059 0.000 1.075 1208 V HN 0.802 nan 8.190 nan 0.000 0.442 1209 K N 1.527 121.948 120.400 0.034 0.000 2.314 1209 K HA 0.485 4.676 4.320 -0.216 0.000 0.198 1209 K C 1.036 177.652 176.600 0.027 0.000 1.045 1209 K CA 0.850 57.155 56.287 0.030 0.000 0.988 1209 K CB 0.103 32.616 32.500 0.022 0.000 0.783 1209 K HN 0.947 nan 8.250 nan 0.000 0.484 1210 A N 2.362 125.194 122.820 0.020 0.000 2.540 1210 A HA -0.020 4.171 4.320 -0.216 0.000 0.239 1210 A C -0.576 177.011 177.584 0.005 0.000 1.061 1210 A CA -0.154 51.889 52.037 0.009 0.000 0.758 1210 A CB -0.019 18.977 19.000 -0.006 0.000 0.991 1210 A HN 0.116 nan 8.150 nan 0.000 0.502 1211 D N 0.935 121.336 120.400 0.001 0.000 2.455 1211 D HA 0.293 4.804 4.640 -0.216 0.000 0.241 1211 D C -0.028 176.240 176.300 -0.054 0.000 1.138 1211 D CA 0.930 54.927 54.000 -0.005 0.000 0.877 1211 D CB 0.407 41.205 40.800 -0.004 0.000 1.187 1211 D HN 0.389 nan 8.370 nan 0.000 0.451 1212 I N 2.260 122.810 120.570 -0.032 0.000 2.433 1212 I HA 0.207 4.247 4.170 -0.216 0.000 0.292 1212 I C -0.562 175.459 176.117 -0.160 0.000 1.001 1212 I CA -0.841 60.392 61.300 -0.111 0.000 1.119 1212 I CB 1.645 39.594 38.000 -0.085 0.000 1.289 1212 I HN 0.065 nan 8.210 nan 0.000 0.438 1213 D N 6.478 126.612 120.400 -0.445 0.000 2.492 1213 D HA 0.434 4.944 4.640 -0.216 0.000 0.248 1213 D C -0.889 174.992 176.300 -0.699 0.000 1.101 1213 D CA -0.320 53.175 54.000 -0.842 0.000 0.840 1213 D CB 2.458 42.247 40.800 -1.684 0.000 1.209 1213 D HN 0.144 nan 8.370 nan 0.000 0.524 1214 L N 2.442 123.394 121.223 -0.451 0.000 2.295 1214 L HA 0.549 4.759 4.340 -0.216 0.000 0.285 1214 L C -1.478 175.346 176.870 -0.077 0.000 1.035 1214 L CA -0.764 53.925 54.840 -0.252 0.000 0.806 1214 L CB 1.357 43.354 42.059 -0.104 0.000 1.214 1214 L HN 0.320 nan 8.230 nan 0.000 0.426 1215 L N 5.213 126.422 121.223 -0.023 0.000 2.280 1215 L HA 0.607 4.817 4.340 -0.216 0.000 0.287 1215 L C 0.218 177.095 176.870 0.011 0.000 1.023 1215 L CA 0.129 55.023 54.840 0.090 0.000 0.819 1215 L CB 1.356 43.509 42.059 0.156 0.000 1.212 1215 L HN 0.896 nan 8.230 nan 0.000 0.420 1216 T N 0.894 115.454 114.554 0.009 0.000 2.862 1216 T HA 0.467 4.688 4.350 -0.216 0.000 0.276 1216 T C 0.422 175.138 174.700 0.027 0.000 0.974 1216 T CA -0.456 61.647 62.100 0.005 0.000 0.966 1216 T CB 1.272 70.157 68.868 0.028 0.000 1.072 1216 T HN 0.620 nan 8.240 nan 0.000 0.538 1217 S N -0.807 114.922 115.700 0.049 0.000 2.584 1217 S HA 0.365 4.706 4.470 -0.216 0.000 0.270 1217 S C 1.661 176.285 174.600 0.041 0.000 1.346 1217 S CA -0.116 58.131 58.200 0.077 0.000 1.018 1217 S CB 0.005 63.277 63.200 0.119 0.000 0.899 1217 S HN 1.028 nan 8.310 nan 0.000 0.542 1218 G N 1.684 110.512 108.800 0.047 0.000 2.572 1218 G HA2 0.362 4.193 3.960 -0.216 0.000 0.216 1218 G HA3 0.362 4.193 3.960 -0.216 0.000 0.216 1218 G C 0.425 175.359 174.900 0.057 0.000 1.133 1218 G CA 0.423 45.533 45.100 0.015 0.000 0.791 1218 G HN 1.034 nan 8.290 nan 0.000 0.538 1219 A N 0.535 123.412 122.820 0.095 0.000 2.316 1219 A HA 0.543 4.734 4.320 -0.216 0.000 0.284 1219 A C -0.361 177.299 177.584 0.128 0.000 1.115 1219 A CA -0.555 51.548 52.037 0.111 0.000 0.812 1219 A CB 0.555 19.636 19.000 0.135 0.000 1.064 1219 A HN 0.189 nan 8.150 nan 0.000 0.489 1220 D N -0.440 120.028 120.400 0.112 0.000 2.354 1220 D HA 0.444 4.954 4.640 -0.216 0.000 0.238 1220 D C -0.740 175.687 176.300 0.211 0.000 1.250 1220 D CA 1.183 55.257 54.000 0.123 0.000 0.911 1220 D CB 0.270 41.111 40.800 0.068 0.000 1.163 1220 D HN 0.382 nan 8.370 nan 0.000 0.456 1221 F N 0.062 120.004 119.950 -0.013 0.000 2.654 1221 F HA 0.181 4.578 4.527 -0.216 0.000 0.314 1221 F C -1.782 173.969 175.800 -0.082 0.000 1.116 1221 F CA -0.836 57.139 58.000 -0.041 0.000 1.017 1221 F CB 1.721 40.700 39.000 -0.035 0.000 1.285 1221 F HN 0.033 nan 8.300 nan 0.000 0.448 1222 D N 5.124 125.103 120.400 -0.702 0.000 2.308 1222 D HA 0.321 4.832 4.640 -0.216 0.000 0.242 1222 D C -0.829 175.035 176.300 -0.727 0.000 1.059 1222 D CA -0.186 53.517 54.000 -0.496 0.000 0.830 1222 D CB 1.931 42.527 40.800 -0.341 0.000 1.161 1222 D HN 0.543 nan 8.370 nan 0.000 0.494 1223 I N 4.903 125.257 120.570 -0.360 0.000 2.496 1223 I HA 0.205 4.245 4.170 -0.216 0.000 0.285 1223 I C -1.900 174.040 176.117 -0.295 0.000 1.080 1223 I CA -1.415 59.718 61.300 -0.279 0.000 1.404 1223 I CB 0.872 38.752 38.000 -0.200 0.000 1.403 1223 I HN 0.258 nan 8.210 nan 0.000 0.539 1224 P HA 0.064 nan 4.420 nan 0.000 0.270 1224 P C 0.442 177.589 177.300 -0.255 0.000 1.223 1224 P CA -0.274 62.660 63.100 -0.277 0.000 0.785 1224 P CB 0.546 31.948 31.700 -0.496 0.000 0.923 1225 E N 1.284 121.425 120.200 -0.098 0.000 2.150 1225 E HA -0.118 4.103 4.350 -0.216 0.000 0.193 1225 E C 1.291 177.853 176.600 -0.063 0.000 0.985 1225 E CA 1.145 57.503 56.400 -0.071 0.000 0.814 1225 E CB -0.152 29.543 29.700 -0.009 0.000 0.752 1225 E HN 0.666 nan 8.360 nan 0.000 0.466 1226 W N 0.830 122.046 121.300 -0.140 0.000 2.937 1226 W HA 0.198 4.728 4.660 -0.216 0.000 0.245 1226 W C 0.083 176.488 176.519 -0.190 0.000 1.306 1226 W CA -0.123 57.123 57.345 -0.165 0.000 1.470 1226 W CB -0.454 28.901 29.460 -0.175 0.000 1.132 1226 W HN -0.154 nan 8.180 nan 0.000 0.675 1227 L N 1.032 121.769 121.223 -0.809 0.000 2.313 1227 L HA 0.852 5.063 4.340 -0.216 0.000 0.268 1227 L C 0.074 176.660 176.870 -0.473 0.000 1.010 1227 L CA -0.647 53.744 54.840 -0.748 0.000 0.814 1227 L CB 1.750 43.268 42.059 -0.902 0.000 1.304 1227 L HN -0.111 nan 8.230 nan 0.000 0.441 1228 A N 0.213 122.770 122.820 -0.440 0.000 2.567 1228 A HA 0.525 4.716 4.320 -0.216 0.000 0.291 1228 A C -0.724 176.661 177.584 -0.331 0.000 1.048 1228 A CA -0.336 51.493 52.037 -0.346 0.000 0.661 1228 A CB 1.038 19.862 19.000 -0.293 0.000 1.288 1228 A HN 0.651 nan 8.150 nan 0.000 0.424 1229 S N -0.759 114.837 115.700 -0.174 0.000 2.589 1229 S HA 0.284 4.625 4.470 -0.216 0.000 0.265 1229 S C 0.123 174.513 174.600 -0.350 0.000 1.342 1229 S CA 0.441 58.609 58.200 -0.053 0.000 1.005 1229 S CB 0.032 63.343 63.200 0.185 0.000 0.909 1229 S HN 0.853 nan 8.310 nan 0.000 0.555 1230 W N 0.006 121.100 121.300 -0.344 0.000 3.256 1230 W HA 0.261 4.792 4.660 -0.216 0.000 0.269 1230 W C 2.029 177.938 176.519 -1.017 0.000 1.310 1230 W CA -0.216 56.709 57.345 -0.701 0.000 1.673 1230 W CB -0.543 28.502 29.460 -0.692 0.000 1.115 1230 W HN 0.940 nan 8.180 nan 0.000 0.686 1231 E N 1.365 121.084 120.200 -0.803 0.000 2.108 1231 E HA -0.299 3.922 4.350 -0.216 0.000 0.203 1231 E C 1.703 178.171 176.600 -0.219 0.000 1.022 1231 E CA 2.078 58.241 56.400 -0.394 0.000 0.823 1231 E CB 0.152 29.894 29.700 0.070 0.000 0.744 1231 E HN 0.219 nan 8.360 nan 0.000 0.456 1232 E N -0.283 119.808 120.200 -0.182 0.000 2.107 1232 E HA -0.089 4.131 4.350 -0.216 0.000 0.191 1232 E C 1.838 178.374 176.600 -0.108 0.000 0.982 1232 E CA 0.866 57.198 56.400 -0.114 0.000 0.809 1232 E CB -0.244 29.392 29.700 -0.108 0.000 0.756 1232 E HN 0.347 nan 8.360 nan 0.000 0.459 1233 A N 1.013 123.733 122.820 -0.167 0.000 2.259 1233 A HA -0.036 4.154 4.320 -0.216 0.000 0.212 1233 A C 1.179 178.780 177.584 0.027 0.000 1.178 1233 A CA 1.062 53.028 52.037 -0.118 0.000 0.734 1233 A CB -0.255 18.560 19.000 -0.309 0.000 0.774 1233 A HN 0.148 nan 8.150 nan 0.000 0.481 1234 T N -3.041 111.501 114.554 -0.021 0.000 2.883 1234 T HA 0.402 4.623 4.350 -0.216 0.000 0.301 1234 T C 1.174 175.889 174.700 0.025 0.000 1.158 1234 T CA 0.304 62.421 62.100 0.028 0.000 1.007 1234 T CB 1.566 70.437 68.868 0.006 0.000 1.186 1234 T HN 0.332 nan 8.240 nan 0.000 0.499 1235 T N 0.443 115.021 114.554 0.040 0.000 3.009 1235 T HA 0.326 4.546 4.350 -0.216 0.000 0.258 1235 T C 1.315 176.039 174.700 0.040 0.000 1.063 1235 T CA 0.734 62.855 62.100 0.036 0.000 1.139 1235 T CB -0.456 68.433 68.868 0.035 0.000 0.890 1235 T HN 0.713 nan 8.240 nan 0.000 0.471 1236 G N 1.162 109.988 108.800 0.044 0.000 2.582 1236 G HA2 0.550 4.381 3.960 -0.216 0.000 0.232 1236 G HA3 0.550 4.381 3.960 -0.216 0.000 0.232 1236 G C 0.075 175.016 174.900 0.068 0.000 1.458 1236 G CA -0.301 44.828 45.100 0.048 0.000 1.062 1236 G HN 0.755 nan 8.290 nan 0.000 0.566 1237 V N -0.521 119.431 119.914 0.064 0.000 2.421 1237 V HA 0.353 4.343 4.120 -0.216 0.000 0.271 1237 V C -0.425 175.740 176.094 0.119 0.000 1.031 1237 V CA -0.187 62.159 62.300 0.077 0.000 1.032 1237 V CB -0.031 31.822 31.823 0.050 0.000 1.009 1237 V HN 0.598 nan 8.190 nan 0.000 0.477 1238 Y N 7.519 127.812 120.300 -0.010 0.000 2.812 1238 Y HA 0.451 4.872 4.550 -0.216 0.000 0.354 1238 Y C 1.109 176.999 175.900 -0.016 0.000 1.276 1238 Y CA -1.655 56.431 58.100 -0.024 0.000 1.639 1238 Y CB -0.163 38.303 38.460 0.010 0.000 1.741 1238 Y HN 0.799 nan 8.280 nan 0.000 0.479 1239 R N 3.918 124.350 120.500 -0.114 0.000 2.641 1239 R HA 0.563 4.774 4.340 -0.216 0.000 0.269 1239 R C -0.444 175.708 176.300 -0.247 0.000 1.074 1239 R CA -0.386 55.636 56.100 -0.130 0.000 1.133 1239 R CB 0.912 31.232 30.300 0.033 0.000 1.029 1239 R HN 0.603 nan 8.270 nan 0.000 0.488 1240 M N -0.230 119.297 119.600 -0.122 0.000 2.562 1240 M HA 0.533 4.883 4.480 -0.216 0.000 0.281 1240 M C -2.049 174.296 176.300 0.075 0.000 1.195 1240 M CA -1.079 54.206 55.300 -0.024 0.000 0.888 1240 M CB 2.568 35.022 32.600 -0.244 0.000 1.731 1240 M HN 0.600 nan 8.290 nan 0.000 0.493 1241 K N 0.798 121.296 120.400 0.164 0.000 2.444 1241 K HA 0.709 4.899 4.320 -0.216 0.000 0.252 1241 K C -1.582 175.020 176.600 0.004 0.000 0.993 1241 K CA -0.651 55.661 56.287 0.041 0.000 0.847 1241 K CB 2.814 35.281 32.500 -0.055 0.000 1.340 1241 K HN 0.748 nan 8.250 nan 0.000 0.446 1242 R N 0.295 120.753 120.500 -0.071 0.000 2.393 1242 R HA 0.595 4.806 4.340 -0.216 0.000 0.310 1242 R C -0.307 175.874 176.300 -0.198 0.000 0.968 1242 R CA -0.403 55.632 56.100 -0.109 0.000 0.867 1242 R CB 1.254 31.477 30.300 -0.129 0.000 1.124 1242 R HN 0.752 nan 8.270 nan 0.000 0.450 1243 G N 2.451 111.158 108.800 -0.154 0.000 2.557 1243 G HA2 0.405 4.235 3.960 -0.216 0.000 0.302 1243 G HA3 0.405 4.235 3.960 -0.216 0.000 0.302 1243 G C -1.133 173.597 174.900 -0.284 0.000 1.311 1243 G CA -0.682 44.318 45.100 -0.168 0.000 1.030 1243 G HN 0.442 nan 8.290 nan 0.000 0.509 1244 F N -0.143 119.822 119.950 0.025 0.000 2.422 1244 F HA 0.603 5.001 4.527 -0.216 0.000 0.333 1244 F C 0.827 176.648 175.800 0.036 0.000 1.095 1244 F CA 0.567 58.583 58.000 0.027 0.000 1.038 1244 F CB 1.998 41.006 39.000 0.014 0.000 1.156 1244 F HN 0.962 nan 8.300 nan 0.000 0.483 1245 G N 1.156 110.096 108.800 0.232 0.000 2.712 1245 G HA2 0.040 3.870 3.960 -0.216 0.000 0.686 1245 G HA3 0.040 3.870 3.960 -0.216 0.000 0.686 1245 G C -0.497 174.484 174.900 0.135 0.000 1.181 1245 G CA -0.864 44.330 45.100 0.158 0.000 0.762 1245 G HN 0.915 nan 8.290 nan 0.000 0.641 1246 T N -0.935 113.699 114.554 0.133 0.000 2.813 1246 T HA 0.378 4.598 4.350 -0.216 0.000 0.297 1246 T C 1.405 176.216 174.700 0.185 0.000 1.036 1246 T CA 0.944 63.139 62.100 0.158 0.000 1.044 1246 T CB 1.154 70.113 68.868 0.152 0.000 0.993 1246 T HN 1.406 nan 8.240 nan 0.000 0.535 1247 H N 1.396 120.547 119.070 0.134 0.000 2.400 1247 H HA -0.204 4.222 4.556 -0.216 0.000 0.295 1247 H C 2.095 177.555 175.328 0.219 0.000 1.118 1247 H CA 2.630 58.772 56.048 0.156 0.000 1.256 1247 H CB -0.680 29.152 29.762 0.117 0.000 1.365 1247 H HN 0.784 nan 8.280 nan 0.000 0.502 1248 A N 0.795 123.700 122.820 0.142 0.000 1.832 1248 A HA -0.151 4.039 4.320 -0.216 0.000 0.214 1248 A C 2.150 179.770 177.584 0.060 0.000 1.204 1248 A CA 1.471 53.565 52.037 0.096 0.000 0.606 1248 A CB -0.632 18.448 19.000 0.132 0.000 0.849 1248 A HN 0.792 nan 8.150 nan 0.000 0.445 1249 E N -0.250 119.993 120.200 0.071 0.000 2.512 1249 E HA -0.006 4.214 4.350 -0.216 0.000 0.195 1249 E C 1.581 178.204 176.600 0.038 0.000 1.083 1249 E CA 0.372 56.803 56.400 0.051 0.000 0.873 1249 E CB -0.349 29.388 29.700 0.061 0.000 0.897 1249 E HN 0.647 nan 8.360 nan 0.000 0.514 1250 M N 0.625 120.246 119.600 0.035 0.000 2.086 1250 M HA -0.068 4.282 4.480 -0.216 0.000 0.261 1250 M C 1.284 177.564 176.300 -0.034 0.000 1.067 1250 M CA 1.384 56.702 55.300 0.030 0.000 1.116 1250 M CB 0.032 32.671 32.600 0.065 0.000 1.348 1250 M HN 0.182 nan 8.290 nan 0.000 0.407 1251 L N 0.283 121.431 121.223 -0.126 0.000 3.084 1251 L HA 0.304 4.515 4.340 -0.216 0.000 0.238 1251 L C -0.414 176.410 176.870 -0.075 0.000 1.327 1251 L CA -0.370 54.382 54.840 -0.147 0.000 1.094 1251 L CB -0.194 41.673 42.059 -0.319 0.000 1.477 1251 L HN 0.202 nan 8.230 nan 0.000 0.514 1252 Q N 0.354 120.133 119.800 -0.035 0.000 2.403 1252 Q HA 0.605 4.815 4.340 -0.216 0.000 0.267 1252 Q C -0.117 175.880 176.000 -0.005 0.000 0.991 1252 Q CA 0.437 56.231 55.803 -0.015 0.000 0.906 1252 Q CB 2.172 30.906 28.738 -0.007 0.000 1.422 1252 Q HN 0.358 nan 8.270 nan 0.000 0.400 1253 G N 2.715 111.511 108.800 -0.007 0.000 2.542 1253 G HA2 -0.284 3.547 3.960 -0.216 0.000 0.235 1253 G HA3 -0.284 3.547 3.960 -0.216 0.000 0.235 1253 G C 0.181 175.074 174.900 -0.012 0.000 1.286 1253 G CA 0.229 45.325 45.100 -0.007 0.000 0.904 1253 G HN 0.618 nan 8.290 nan 0.000 0.577 1254 E N 0.325 120.515 120.200 -0.017 0.000 2.347 1254 E HA 0.084 4.304 4.350 -0.216 0.000 0.196 1254 E C 2.765 179.344 176.600 -0.034 0.000 1.008 1254 E CA 1.947 58.328 56.400 -0.032 0.000 0.852 1254 E CB -0.237 29.435 29.700 -0.046 0.000 0.783 1254 E HN 0.733 nan 8.360 nan 0.000 0.505 1255 T N -0.766 113.784 114.554 -0.007 0.000 2.812 1255 T HA -0.142 4.078 4.350 -0.216 0.000 0.264 1255 T C 1.893 176.622 174.700 0.049 0.000 1.042 1255 T CA 0.907 63.026 62.100 0.031 0.000 1.140 1255 T CB -0.438 68.469 68.868 0.066 0.000 0.870 1255 T HN 0.162 nan 8.240 nan 0.000 0.445 1256 L N 2.319 123.555 121.223 0.021 0.000 2.051 1256 L HA -0.128 4.082 4.340 -0.216 0.000 0.214 1256 L C 1.523 178.399 176.870 0.011 0.000 1.076 1256 L CA 2.115 56.960 54.840 0.008 0.000 0.758 1256 L CB -1.115 40.935 42.059 -0.015 0.000 0.890 1256 L HN 0.097 nan 8.230 nan 0.000 0.433 1257 D N -0.873 119.527 120.400 -0.001 0.000 2.312 1257 D HA -0.075 4.436 4.640 -0.216 0.000 0.211 1257 D C 2.045 178.346 176.300 0.001 0.000 0.964 1257 D CA 0.523 54.518 54.000 -0.008 0.000 0.877 1257 D CB -0.048 40.739 40.800 -0.022 0.000 0.924 1257 D HN 0.383 nan 8.370 nan 0.000 0.515 1258 R N 0.275 120.788 120.500 0.022 0.000 2.112 1258 R HA 0.125 4.335 4.340 -0.216 0.000 0.216 1258 R C 1.513 177.900 176.300 0.144 0.000 1.080 1258 R CA 0.264 56.410 56.100 0.075 0.000 0.996 1258 R CB -0.979 29.353 30.300 0.053 0.000 0.902 1258 R HN 0.117 nan 8.270 nan 0.000 0.449 1259 N N 1.550 120.328 118.700 0.130 0.000 2.381 1259 N HA -0.040 4.570 4.740 -0.216 0.000 0.182 1259 N C 1.474 177.012 175.510 0.046 0.000 1.025 1259 N CA 1.161 54.267 53.050 0.093 0.000 0.888 1259 N CB -0.087 38.450 38.487 0.084 0.000 0.965 1259 N HN 0.237 nan 8.380 nan 0.000 0.438 1260 A N 1.166 124.002 122.820 0.027 0.000 1.841 1260 A HA -0.110 4.081 4.320 -0.216 0.000 0.214 1260 A C 2.328 179.910 177.584 -0.004 0.000 1.195 1260 A CA 2.279 54.318 52.037 0.003 0.000 0.611 1260 A CB -1.207 17.788 19.000 -0.007 0.000 0.835 1260 A HN 0.365 nan 8.150 nan 0.000 0.443 1261 E N 0.129 120.329 120.200 -0.000 0.000 2.114 1261 E HA -0.244 3.976 4.350 -0.216 0.000 0.199 1261 E C 1.795 178.365 176.600 -0.050 0.000 1.008 1261 E CA 1.836 58.228 56.400 -0.013 0.000 0.810 1261 E CB -0.996 nan 29.700 nan 0.000 0.739 1261 E HN 0.700 nan 8.360 nan 0.000 0.456 1262 I N -0.213 120.316 120.570 -0.069 0.000 2.315 1262 I HA -0.145 3.895 4.170 -0.216 0.000 0.248 1262 I C 2.725 178.697 176.117 -0.243 0.000 1.117 1262 I CA 0.922 62.108 61.300 -0.190 0.000 1.404 1262 I CB -0.116 37.776 38.000 -0.179 0.000 1.071 1262 I HN 0.234 nan 8.210 nan 0.000 0.419 1263 L N 0.327 121.513 121.223 -0.063 0.000 2.191 1263 L HA -0.217 3.994 4.340 -0.216 0.000 0.212 1263 L C 2.439 179.313 176.870 0.006 0.000 1.103 1263 L CA 1.049 55.921 54.840 0.053 0.000 0.769 1263 L CB -0.360 41.743 42.059 0.073 0.000 0.908 1263 L HN 0.300 nan 8.230 nan 0.000 0.438 1264 L N -0.629 120.575 121.223 -0.031 0.000 1.961 1264 L HA -0.228 3.982 4.340 -0.216 0.000 0.210 1264 L C 2.436 179.290 176.870 -0.027 0.000 1.072 1264 L CA 1.427 56.267 54.840 -0.000 0.000 0.749 1264 L CB -0.762 41.308 42.059 0.018 0.000 0.889 1264 L HN 0.226 nan 8.230 nan 0.000 0.432 1265 E N -0.163 119.966 120.200 -0.119 0.000 2.200 1265 E HA -0.299 3.922 4.350 -0.216 0.000 0.211 1265 E C 2.017 178.554 176.600 -0.104 0.000 1.048 1265 E CA 2.088 58.384 56.400 -0.173 0.000 0.851 1265 E CB -0.329 29.166 29.700 -0.341 0.000 0.747 1265 E HN 0.319 nan 8.360 nan 0.000 0.462 1266 F N 0.212 120.150 119.950 -0.020 0.000 2.039 1266 F HA -0.100 4.298 4.527 -0.216 0.000 0.294 1266 F C 2.347 178.133 175.800 -0.023 0.000 1.130 1266 F CA 0.910 58.893 58.000 -0.028 0.000 1.189 1266 F CB -0.910 38.064 39.000 -0.044 0.000 0.983 1266 F HN -0.047 nan 8.300 nan 0.000 0.471 1267 L N -0.312 121.006 121.223 0.159 0.000 2.027 1267 L HA -0.227 3.983 4.340 -0.216 0.000 0.206 1267 L C 2.408 179.358 176.870 0.133 0.000 1.074 1267 L CA 1.458 56.332 54.840 0.057 0.000 0.745 1267 L CB -0.863 41.078 42.059 -0.197 0.000 0.898 1267 L HN 0.273 nan 8.230 nan 0.000 0.433 1268 N N -0.049 118.724 118.700 0.123 0.000 2.023 1268 N HA -0.348 4.263 4.740 -0.216 0.000 0.200 1268 N C 1.346 176.907 175.510 0.084 0.000 1.048 1268 N CA 3.274 56.388 53.050 0.107 0.000 0.872 1268 N CB -0.083 38.438 38.487 0.055 0.000 1.070 1268 N HN 0.536 nan 8.380 nan 0.000 0.441 1269 T N -2.091 112.504 114.554 0.068 0.000 12.383 1269 T HA -0.435 3.786 4.350 -0.216 0.000 0.419 1269 T C 1.186 175.908 174.700 0.037 0.000 1.441 1269 T CA 2.699 64.833 62.100 0.057 0.000 2.385 1269 T CB -1.131 67.779 68.868 0.070 0.000 2.852 1269 T HN 0.596 nan 8.240 nan 0.000 0.818 1270 Q N -0.516 119.308 119.800 0.040 0.000 6.426 1270 Q HA -0.245 3.965 4.340 -0.216 0.000 0.311 1270 Q C 1.623 177.632 176.000 0.016 0.000 1.913 1270 Q CA 3.328 59.148 55.803 0.028 0.000 0.451 1270 Q CB -2.233 26.517 28.738 0.020 0.000 0.192 1270 Q HN 0.835 nan 8.270 nan 0.000 0.758 1271 T N 1.598 116.160 114.554 0.012 0.000 2.607 1271 T HA -0.102 4.119 4.350 -0.216 0.000 0.267 1271 T C 0.996 175.699 174.700 0.004 0.000 1.049 1271 T CA 2.085 64.188 62.100 0.005 0.000 1.162 1271 T CB -0.514 68.357 68.868 0.005 0.000 0.863 1271 T HN 0.447 nan 8.240 nan 0.000 0.424 1272 V N 2.603 122.524 119.914 0.013 0.000 5.804 1272 V HA -0.188 3.803 4.120 -0.216 0.000 0.152 1272 V C 0.752 176.848 176.094 0.004 0.000 0.723 1272 V CA 0.728 63.035 62.300 0.013 0.000 0.503 1272 V CB -2.240 29.593 31.823 0.016 0.000 0.269 1272 V HN 0.716 nan 8.190 nan 0.000 0.381 1273 T N 4.351 118.907 114.554 0.003 0.000 2.761 1273 T HA 0.374 4.595 4.350 -0.216 0.000 0.287 1273 T C 0.012 174.714 174.700 0.004 0.000 0.931 1273 T CA -0.161 61.937 62.100 -0.003 0.000 1.164 1273 T CB 0.299 69.165 68.868 -0.003 0.000 0.876 1273 T HN 0.494 nan 8.240 nan 0.000 0.534 1274 V N 5.206 125.123 119.914 0.005 0.000 2.716 1274 V HA 0.491 4.482 4.120 -0.216 0.000 0.304 1274 V C 0.824 176.939 176.094 0.034 0.000 1.053 1274 V CA -0.881 61.438 62.300 0.032 0.000 0.984 1274 V CB 1.710 33.579 31.823 0.076 0.000 1.021 1274 V HN 0.949 nan 8.190 nan 0.000 0.467 1275 S N 1.478 117.212 115.700 0.058 0.000 2.632 1275 S HA 0.232 4.572 4.470 -0.216 0.000 0.267 1275 S C 1.094 175.755 174.600 0.102 0.000 1.276 1275 S CA -0.180 58.055 58.200 0.058 0.000 0.998 1275 S CB 0.989 64.222 63.200 0.055 0.000 0.953 1275 S HN 0.798 nan 8.310 nan 0.000 0.547 1276 K N 1.741 122.189 120.400 0.081 0.000 2.025 1276 K HA 0.008 4.198 4.320 -0.216 0.000 0.207 1276 K C 2.010 178.703 176.600 0.156 0.000 1.049 1276 K CA 1.399 57.756 56.287 0.117 0.000 0.933 1276 K CB -1.018 31.520 32.500 0.064 0.000 0.714 1276 K HN 0.779 nan 8.250 nan 0.000 0.438 1277 G N 0.745 109.608 108.800 0.104 0.000 2.418 1277 G HA2 -0.298 3.533 3.960 -0.216 0.000 0.217 1277 G HA3 -0.298 3.533 3.960 -0.216 0.000 0.217 1277 G C 1.349 176.310 174.900 0.103 0.000 1.158 1277 G CA 0.970 46.124 45.100 0.090 0.000 0.771 1277 G HN 0.476 nan 8.290 nan 0.000 0.545 1278 E N -0.764 119.504 120.200 0.112 0.000 2.106 1278 E HA -0.081 4.140 4.350 -0.216 0.000 0.192 1278 E C 1.989 178.685 176.600 0.160 0.000 0.984 1278 E CA 0.584 57.051 56.400 0.112 0.000 0.806 1278 E CB -0.221 29.533 29.700 0.090 0.000 0.750 1278 E HN 0.415 nan 8.360 nan 0.000 0.458 1279 F N 1.623 121.604 119.950 0.051 0.000 2.098 1279 F HA -0.071 4.327 4.527 -0.216 0.000 0.294 1279 F C 2.007 177.886 175.800 0.131 0.000 1.107 1279 F CA 1.617 59.662 58.000 0.076 0.000 1.234 1279 F CB -0.146 38.879 39.000 0.042 0.000 1.002 1279 F HN -0.025 nan 8.300 nan 0.000 0.472 1280 E N 0.487 120.792 120.200 0.174 0.000 2.049 1280 E HA -0.297 3.924 4.350 -0.216 0.000 0.198 1280 E C 2.365 178.944 176.600 -0.035 0.000 1.007 1280 E CA 1.302 57.728 56.400 0.044 0.000 0.809 1280 E CB -0.630 29.138 29.700 0.114 0.000 0.749 1280 E HN 0.510 nan 8.360 nan 0.000 0.450 1281 A N 1.072 123.905 122.820 0.022 0.000 1.892 1281 A HA -0.270 3.920 4.320 -0.216 0.000 0.218 1281 A C 2.094 179.673 177.584 -0.008 0.000 1.188 1281 A CA 1.937 53.981 52.037 0.012 0.000 0.631 1281 A CB -1.087 17.938 19.000 0.042 0.000 0.822 1281 A HN 0.491 nan 8.150 nan 0.000 0.447 1282 Y N 0.843 121.068 120.300 -0.124 0.000 2.151 1282 Y HA -0.240 4.181 4.550 -0.216 0.000 0.284 1282 Y C 2.255 178.039 175.900 -0.192 0.000 1.166 1282 Y CA 2.146 60.157 58.100 -0.148 0.000 1.163 1282 Y CB -0.477 37.881 38.460 -0.169 0.000 0.974 1282 Y HN 0.077 nan 8.280 nan 0.000 0.511 1283 V N 0.707 120.431 119.914 -0.317 0.000 2.261 1283 V HA -0.304 3.687 4.120 -0.216 0.000 0.246 1283 V C 2.367 178.297 176.094 -0.273 0.000 1.047 1283 V CA 2.317 64.391 62.300 -0.378 0.000 1.015 1283 V CB -0.851 30.781 31.823 -0.318 0.000 0.642 1283 V HN 0.479 nan 8.190 nan 0.000 0.446 1284 E N -0.587 119.508 120.200 -0.175 0.000 2.153 1284 E HA -0.257 3.963 4.350 -0.216 0.000 0.194 1284 E C 2.348 178.867 176.600 -0.134 0.000 0.988 1284 E CA 0.983 57.310 56.400 -0.122 0.000 0.811 1284 E CB -0.039 29.618 29.700 -0.071 0.000 0.746 1284 E HN 0.505 nan 8.360 nan 0.000 0.466 1285 Q N 0.818 120.520 119.800 -0.163 0.000 2.020 1285 Q HA -0.198 4.013 4.340 -0.216 0.000 0.202 1285 Q C 2.048 177.928 176.000 -0.200 0.000 0.982 1285 Q CA 1.569 57.280 55.803 -0.153 0.000 0.838 1285 Q CB -0.147 28.510 28.738 -0.135 0.000 0.899 1285 Q HN 0.126 nan 8.270 nan 0.000 0.423 1286 K N 0.281 120.480 120.400 -0.334 0.000 2.209 1286 K HA -0.081 4.110 4.320 -0.216 0.000 0.204 1286 K C 2.192 178.676 176.600 -0.193 0.000 1.048 1286 K CA 0.591 56.692 56.287 -0.309 0.000 0.940 1286 K CB -0.164 32.053 32.500 -0.472 0.000 0.729 1286 K HN 0.169 nan 8.250 nan 0.000 0.451 1287 L N 1.172 122.290 121.223 -0.174 0.000 2.023 1287 L HA -0.116 4.094 4.340 -0.216 0.000 0.205 1287 L C 2.212 179.029 176.870 -0.088 0.000 1.073 1287 L CA 1.420 56.191 54.840 -0.116 0.000 0.745 1287 L CB -0.364 41.635 42.059 -0.101 0.000 0.900 1287 L HN 0.309 nan 8.230 nan 0.000 0.435 1288 I N -2.479 118.040 120.570 -0.084 0.000 2.315 1288 I HA -0.214 3.826 4.170 -0.216 0.000 0.251 1288 I C 1.689 177.771 176.117 -0.058 0.000 1.125 1288 I CA 0.910 62.173 61.300 -0.062 0.000 1.392 1288 I CB -0.744 37.224 38.000 -0.054 0.000 1.065 1288 I HN 0.134 nan 8.210 nan 0.000 0.424 1289 S N 1.630 117.289 115.700 -0.069 0.000 2.858 1289 S HA 0.420 4.761 4.470 -0.216 0.000 0.328 1289 S C 0.043 174.611 174.600 -0.053 0.000 1.149 1289 S CA 0.923 59.088 58.200 -0.059 0.000 1.421 1289 S CB -1.529 61.629 63.200 -0.070 0.000 1.461 1289 S HN 0.829 nan 8.310 nan 0.000 0.587 1290 E N 0.000 120.174 120.200 -0.043 0.000 2.725 1290 E HA 0.000 4.220 4.350 -0.216 0.000 0.291 1290 E CA 0.000 56.377 56.400 -0.039 0.000 0.976 1290 E CB 0.000 29.674 29.700 -0.043 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440